#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3d n ARG 14 N 0.00 -1.16 0.24 5.56 1.74 -1.26 -4.77 116.66 117.00 3i3d n ARG 14 Ca 0.00 0.21 0.14 0.00 -0.77 0.00 0.00 57.85 57.43 3i3d n ARG 14 Cb 0.00 -3.45 0.75 0.00 -1.02 0.00 0.00 32.46 28.74 3i3d n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i3d h ASP 15 N -2.15 0.00 -0.07 0.55 3.32 -1.95 -1.44 116.42 114.67 3i3d h ASP 15 Ca -0.68 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.37 3i3d h ASP 15 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3i3d h ASP 15 CO 0.58 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.43 3i3d n TRP 16 N -2.54 0.10 -2.35 4.55 2.14 -1.26 -3.08 117.44 115.00 3i3d n TRP 16 Ca -0.02 -0.05 -0.01 0.00 2.07 0.00 0.00 57.50 59.49 3i3d n TRP 16 Cb 0.16 0.00 0.07 0.00 -0.81 0.00 0.00 31.31 30.73 3i3d n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3i3d n GLU 17 N -0.33 1.36 -3.58 -2.67 1.02 -0.54 0.22 120.64 116.11 3i3d n GLU 17 Ca 0.08 -3.02 -0.28 0.00 -0.02 0.00 0.00 57.16 53.92 3i3d n GLU 17 Cb 0.10 -1.12 -0.16 0.00 -0.02 0.00 0.00 31.44 30.24 3i3d n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3i3d s ASN 18 N -3.00 3.14 0.00 1.62 3.84 -1.18 -4.65 114.94 114.71 3i3d s ASN 18 Ca 0.35 -1.06 0.12 0.00 0.21 0.00 0.00 52.86 52.49 3i3d s ASN 18 Cb 0.37 -0.35 0.59 0.00 -0.55 0.00 0.00 41.25 41.31 3i3d s ASN 18 CO -0.08 -0.40 1.33 -0.81 -2.79 0.00 0.00 177.10 174.35 3i3d n PRO 19 N 5.23 0.12 0.10 0.43 -0.04 -1.26 -1.44 135.00 138.15 3i3d n PRO 19 Ca -0.06 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 3i3d n PRO 19 Cb 0.45 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.71 3i3d n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3i3d h GLY 20 N 2.07 0.00 -7.84 0.55 0.00 -1.93 -3.38 103.07 92.53 3i3d h GLY 20 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3i3d h GLY 20 CO 0.00 0.00 -0.79 0.14 0.00 0.00 0.00 176.54 175.89 3i3d s VAL 21 N -3.14 2.15 -1.01 4.60 1.01 -0.52 -4.94 120.40 118.55 3i3d s VAL 21 Ca 0.09 -1.69 0.09 0.00 0.00 0.00 0.00 61.98 60.47 3i3d s VAL 21 Cb 0.12 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.23 3i3d s VAL 21 CO 0.64 -0.09 0.70 0.35 0.00 0.00 0.00 175.10 176.70 3i3d n THR 22 N 4.42 0.00 -3.62 3.92 -2.24 -1.26 -4.78 114.28 110.72 3i3d n THR 22 Ca -0.12 -0.45 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 3i3d n THR 22 Cb 0.42 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 3i3d n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3d s GLN 23 N -1.05 0.10 -0.06 -0.78 1.03 -1.26 -0.94 119.66 116.70 3i3d s GLN 23 Ca 0.09 -0.04 -0.03 0.00 0.04 0.00 0.00 55.36 55.43 3i3d s GLN 23 Cb 0.08 0.04 0.04 0.00 0.03 0.00 0.00 33.01 33.20 3i3d s GLN 23 CO 0.18 -0.04 0.12 -0.51 -2.54 0.00 0.00 175.29 172.49 3i3d s LEU 24 N -2.23 0.27 -1.96 2.60 1.43 0.30 -4.85 118.68 114.24 3i3d s LEU 24 Ca 0.12 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3i3d s LEU 24 Cb 0.00 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.38 3i3d s LEU 24 CO -0.03 -0.21 0.00 0.59 0.23 0.00 0.00 176.35 176.92 3i3d n ASN 25 N 4.96 -5.44 -4.76 2.29 3.02 -1.26 -1.87 115.26 112.20 3i3d n ASN 25 Ca -0.11 0.34 -0.39 0.00 -0.03 0.00 0.00 54.58 54.38 3i3d n ASN 25 Cb 0.50 -4.61 -0.06 0.00 -0.61 0.00 0.00 39.78 35.01 3i3d n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i3d s ARG 26 N -4.04 4.71 0.76 3.52 3.52 -1.26 -4.67 118.95 121.48 3i3d s ARG 26 Ca 0.00 1.33 -0.11 0.00 -0.13 0.00 0.00 55.73 56.82 3i3d s ARG 26 Cb 0.00 -3.23 0.05 0.00 -1.56 0.00 0.00 34.95 30.21 3i3d s ARG 26 CO 0.00 0.52 1.09 -0.51 -0.81 0.00 0.00 175.30 175.59 3i3d s LEU 27 N -1.26 2.74 0.65 -0.88 1.43 0.49 -5.01 118.68 116.85 3i3d s LEU 27 Ca 0.40 1.29 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 3i3d s LEU 27 Cb -0.24 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 41.99 3i3d s LEU 27 CO 0.29 -1.73 1.16 0.00 0.23 0.00 0.00 176.35 176.30 3i3d s ALA 28 N -3.20 2.42 0.63 4.21 0.00 -1.26 -4.68 121.76 119.88 3i3d s ALA 28 Ca 0.60 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 53.20 3i3d s ALA 28 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3i3d s ALA 28 CO 0.54 -1.34 1.05 0.00 0.00 0.00 0.00 175.76 176.00 3i3d s ALA 29 N -2.01 2.80 0.02 0.00 0.00 -1.26 -4.98 121.76 116.34 3i3d s ALA 29 Ca 0.72 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 3i3d s ALA 29 Cb -0.25 -3.17 0.10 0.00 0.00 0.00 0.00 23.12 19.79 3i3d s ALA 29 CO 0.39 -0.91 1.00 -3.38 0.00 0.00 0.00 175.76 172.86 3i3d s HIS 30 N -2.83 -0.21 0.94 0.00 -3.43 -1.26 -4.88 115.29 103.61 3i3d s HIS 30 Ca 0.59 0.03 -0.11 0.00 -0.80 0.00 0.00 55.06 54.77 3i3d s HIS 30 Cb -0.14 0.57 0.15 0.00 -1.43 0.00 0.00 32.58 31.74 3i3d s HIS 30 CO 0.46 -0.57 1.09 -2.14 -2.00 0.00 0.00 174.74 171.59 3i3d s PRO 31 N -3.01 0.91 -0.02 -0.38 0.02 -1.13 -4.32 135.00 127.09 3i3d s PRO 31 Ca 0.09 1.04 -0.37 0.00 0.02 0.00 0.00 61.00 61.78 3i3d s PRO 31 Cb -0.00 -1.75 -0.16 0.00 0.02 0.00 0.00 34.50 32.61 3i3d s PRO 31 CO -0.04 -2.54 1.54 -2.30 -0.33 0.00 0.00 177.00 173.33 3i3d n PRO 32 N -4.12 1.40 -4.31 5.54 -0.02 -1.26 -4.99 135.00 127.25 3i3d n PRO 32 Ca 0.08 0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 61.82 3i3d n PRO 32 Cb 0.54 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 3i3d n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i3d s PHE 33 N 1.71 2.63 0.00 6.00 2.99 -1.26 -4.80 117.98 125.25 3i3d s PHE 33 Ca 0.88 -0.23 0.00 0.00 0.00 0.00 0.00 56.93 57.58 3i3d s PHE 33 Cb -0.92 -1.22 0.00 0.00 0.00 0.00 0.00 43.02 40.89 3i3d s PHE 33 CO 0.51 0.58 0.00 0.00 -0.00 0.00 0.00 175.22 176.31 3i3d n ALA 34 N -0.45 0.00 -3.89 5.36 0.00 -1.26 -5.05 120.51 115.22 3i3d n ALA 34 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 3i3d n ALA 34 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 3i3d n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3d n SER 35 N 0.00 -3.30 -4.75 0.00 2.88 -1.26 -4.23 113.62 102.96 3i3d n SER 35 Ca 0.00 -1.10 -0.35 0.00 -1.33 0.00 0.00 58.87 56.09 3i3d n SER 35 Cb 0.00 -2.77 0.05 0.00 -0.75 0.00 0.00 64.21 60.75 3i3d n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3i3d s TRP 36 N -3.67 2.33 -0.21 0.66 0.51 -0.67 -4.64 118.94 113.25 3i3d s TRP 36 Ca 0.33 1.54 0.09 0.00 -2.12 0.00 0.00 56.10 55.94 3i3d s TRP 36 Cb -0.14 -3.44 0.19 0.00 -0.81 0.00 0.00 33.47 29.28 3i3d s TRP 36 CO 0.90 -2.25 1.13 0.54 -0.51 0.00 0.00 176.95 176.77 3i3d n ARG 37 N -2.01 2.48 -3.64 4.98 5.12 -1.26 -1.23 116.66 121.09 3i3d n ARG 37 Ca 0.13 -2.05 -0.17 0.00 -1.93 0.00 0.00 57.85 53.83 3i3d n ARG 37 Cb 0.50 -1.28 -0.15 0.00 -1.16 0.00 0.00 32.46 30.37 3i3d n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3i3d s ASN 38 N -1.64 0.82 0.40 0.55 3.84 -1.26 -4.95 114.94 112.70 3i3d s ASN 38 Ca 0.18 0.27 0.08 0.00 0.21 0.00 0.00 52.86 53.60 3i3d s ASN 38 Cb 0.14 0.33 0.86 0.00 -0.55 0.00 0.00 41.25 42.03 3i3d s ASN 38 CO 0.04 -0.26 2.01 0.28 -2.79 0.00 0.00 177.10 176.39 3i3d h SER 39 N 8.35 0.51 -0.12 -4.21 0.02 -1.96 -2.40 113.55 113.73 3i3d h SER 39 Ca -0.14 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 3i3d h SER 39 Cb 1.12 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3i3d h SER 39 CO 0.16 0.34 -0.28 -0.08 -1.14 0.00 0.00 176.83 175.83 3i3d h GLU 40 N 0.59 0.59 -0.13 3.45 4.57 -1.99 -1.19 114.58 120.47 3i3d h GLU 40 Ca 0.23 -0.25 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 3i3d h GLU 40 Cb 0.18 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3i3d h GLU 40 CO -0.06 0.81 -0.43 0.93 -1.18 0.00 0.00 179.01 179.08 3i3d h GLU 41 N 0.51 0.29 -0.30 1.92 4.39 -1.84 -1.85 114.58 117.71 3i3d h GLU 41 Ca 0.07 -0.15 -0.18 0.00 0.34 0.00 0.00 59.36 59.44 3i3d h GLU 41 Cb 0.75 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3i3d h GLU 41 CO 0.06 0.67 -0.51 0.00 -1.16 0.00 0.00 179.01 178.07 3i3d h ALA 42 N 1.31 0.46 -0.41 3.43 0.00 -1.19 -1.58 119.26 121.28 3i3d h ALA 42 Ca 0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3i3d h ALA 42 Cb 0.86 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3i3d h ALA 42 CO 0.07 0.65 0.11 -0.09 0.00 0.00 0.00 179.25 179.99 3i3d h ARG 43 N 0.65 0.66 -0.00 0.00 2.43 -1.00 -2.65 114.38 114.47 3i3d h ARG 43 Ca 0.02 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3i3d h ARG 43 Cb 1.12 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3i3d h ARG 43 CO 0.12 0.67 -0.04 0.25 -1.51 0.00 0.00 179.97 179.46 3i3d n THR 44 N -4.56 0.00 -2.93 0.20 -2.24 -0.71 -4.92 114.28 99.12 3i3d n THR 44 Ca -0.00 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 3i3d n THR 44 Cb 0.20 -0.38 0.03 0.00 -2.10 0.00 0.00 70.33 68.08 3i3d n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i3d n ASP 45 N -1.19 -6.00 -4.89 3.42 2.03 -0.67 -5.00 116.55 104.25 3i3d n ASP 45 Ca 0.15 -0.25 -0.28 0.00 0.52 0.00 0.00 54.79 54.93 3i3d n ASP 45 Cb 0.25 -4.84 0.08 0.00 -0.72 0.00 0.00 41.12 35.89 3i3d n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3i3d s ARG 46 N -5.59 2.03 0.71 -0.67 0.52 -0.75 -5.01 118.95 110.19 3i3d s ARG 46 Ca 0.26 -0.07 -0.16 0.00 -0.52 0.00 0.00 55.73 55.24 3i3d s ARG 46 Cb -0.12 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 3i3d s ARG 46 CO 0.32 -1.46 0.85 -2.30 0.02 0.00 0.00 175.30 172.73 3i3d n PRO 47 N -3.15 0.49 -4.95 3.54 -0.02 -1.26 -4.84 135.00 124.81 3i3d n PRO 47 Ca 0.08 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.46 3i3d n PRO 47 Cb 0.61 -2.11 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 3i3d n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i3d s SER 48 N -1.55 3.74 0.14 2.55 0.15 -1.26 -5.00 113.70 112.46 3i3d s SER 48 Ca 0.72 -0.35 0.19 0.00 0.70 0.00 0.00 55.95 57.21 3i3d s SER 48 Cb -0.36 -1.25 0.81 0.00 -1.71 0.00 0.00 66.02 63.52 3i3d s SER 48 CO 0.52 0.23 1.60 0.00 1.20 0.00 0.00 173.24 176.78 3i3d n GLN 49 N 3.11 0.10 0.00 5.44 1.13 -1.26 -2.20 117.38 123.70 3i3d n GLN 49 Ca -0.18 0.34 0.13 0.00 -1.94 0.00 0.00 57.00 55.36 3i3d n GLN 49 Cb 0.52 -1.70 0.42 0.00 0.11 0.00 0.00 30.24 29.60 3i3d n GLN 49 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3i3d n GLN 50 N -1.90 1.43 -3.93 -1.09 3.00 -1.26 -4.69 117.38 108.95 3i3d n GLN 50 Ca 0.03 -0.89 -0.31 0.00 -0.01 0.00 0.00 57.00 55.82 3i3d n GLN 50 Cb 0.20 -1.48 -0.15 0.00 0.00 0.00 0.00 30.24 28.81 3i3d n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3i3d s LEU 51 N -2.18 3.77 0.02 1.08 2.96 -0.94 -0.78 118.68 122.61 3i3d s LEU 51 Ca 0.32 -1.88 -0.01 0.00 -0.22 0.00 0.00 54.13 52.34 3i3d s LEU 51 Cb 0.20 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3i3d s LEU 51 CO 0.40 -0.37 0.17 -0.13 -1.32 0.00 0.00 176.35 175.10 3i3d s ARG 52 N 1.16 3.35 -0.14 1.98 0.52 -0.48 -4.74 118.95 120.60 3i3d s ARG 52 Ca 0.08 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.77 3i3d s ARG 52 Cb -0.19 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 3i3d s ARG 52 CO -0.13 0.64 0.22 0.45 0.02 0.00 0.00 175.30 176.50 3i3d s SER 53 N -2.14 6.41 -0.15 0.23 0.15 -1.26 -0.97 113.70 115.98 3i3d s SER 53 Ca 0.29 0.48 0.16 0.00 0.70 0.00 0.00 55.95 57.59 3i3d s SER 53 Cb -0.13 -2.13 0.65 0.00 -1.71 0.00 0.00 66.02 62.71 3i3d s SER 53 CO 0.21 0.25 1.57 0.18 1.20 0.00 0.00 173.24 176.65 3i3d n LEU 54 N 2.83 4.60 -4.78 3.45 4.77 0.59 -4.92 117.00 123.53 3i3d n LEU 54 Ca -0.16 -2.67 -0.34 0.00 -0.03 0.00 0.00 56.01 52.81 3i3d n LEU 54 Cb 0.53 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3i3d n LEU 54 CO 0.36 0.72 0.75 0.20 -1.33 0.00 0.00 177.39 178.09 3i3d s ASN 55 N -1.16 5.86 0.00 -1.43 0.01 -1.24 -4.87 114.94 112.12 3i3d s ASN 55 Ca 0.47 2.04 0.00 0.00 -0.71 0.00 0.00 52.86 54.66 3i3d s ASN 55 Cb 0.33 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.43 3i3d s ASN 55 CO 0.17 -1.12 0.00 0.61 -1.51 0.00 0.00 177.10 175.26 3i3d n GLY 56 N -0.16 0.60 3.67 0.66 0.00 -0.80 -5.01 105.19 104.14 3i3d n GLY 56 Ca 0.10 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 3i3d n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3d s GLU 57 N -2.00 4.28 0.46 1.61 2.02 -1.26 -1.16 118.70 122.66 3i3d s GLU 57 Ca 0.00 0.98 0.04 0.00 0.02 0.00 0.00 54.97 56.00 3i3d s GLU 57 Cb 0.00 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 3i3d s GLU 57 CO 0.00 -0.33 0.01 -1.58 0.02 0.00 0.00 175.26 173.38 3i3d s TRP 58 N 2.17 2.17 -0.18 1.61 0.52 -0.04 -4.95 118.94 120.24 3i3d s TRP 58 Ca 0.37 -0.83 -0.07 0.00 0.02 0.00 0.00 56.10 55.59 3i3d s TRP 58 Cb -0.16 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 3i3d s TRP 58 CO 0.12 0.33 0.06 1.03 0.02 0.00 0.00 176.95 178.50 3i3d s ARG 59 N -3.80 3.92 -0.00 4.98 1.81 0.34 -1.71 118.95 124.49 3i3d s ARG 59 Ca 0.20 -0.34 0.03 0.00 -1.72 0.00 0.00 55.73 53.90 3i3d s ARG 59 Cb 0.06 -3.19 -0.01 0.00 -0.45 0.00 0.00 34.95 31.35 3i3d s ARG 59 CO 0.10 0.31 -0.11 0.12 -0.68 0.00 0.00 175.30 175.04 3i3d s PHE 60 N 0.27 1.00 -0.04 -0.53 5.36 -0.28 -0.60 117.98 123.16 3i3d s PHE 60 Ca 0.04 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 3i3d s PHE 60 Cb -0.12 -0.64 0.03 0.00 -0.34 0.00 0.00 43.02 41.95 3i3d s PHE 60 CO 0.00 -0.01 0.09 0.00 -1.46 0.00 0.00 175.22 173.84 3i3d s ALA 61 N -0.33 -0.12 -0.14 11.12 0.00 -0.36 -1.25 121.76 130.67 3i3d s ALA 61 Ca 0.04 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.38 3i3d s ALA 61 Cb -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3i3d s ALA 61 CO -0.00 -0.12 0.14 -0.46 0.00 0.00 0.00 175.76 175.32 3i3d s TRP 62 N 0.93 3.55 0.04 0.00 -0.00 -1.26 -0.01 118.94 122.19 3i3d s TRP 62 Ca -0.07 0.48 0.03 0.00 -0.00 0.00 0.00 56.10 56.53 3i3d s TRP 62 Cb -0.10 -2.01 -0.02 0.00 -0.00 0.00 0.00 33.47 31.34 3i3d s TRP 62 CO -0.04 0.61 -0.09 -0.06 -0.00 0.00 0.00 176.95 177.37 3i3d s PHE 63 N -0.63 0.81 -0.48 5.86 0.40 -0.18 -4.99 117.98 118.77 3i3d s PHE 63 Ca 0.13 -0.39 0.24 0.00 -0.60 0.00 0.00 56.93 56.31 3i3d s PHE 63 Cb -0.12 -0.48 0.98 0.00 0.51 0.00 0.00 43.02 43.91 3i3d s PHE 63 CO 0.02 -0.03 1.73 -0.35 0.70 0.00 0.00 175.22 177.30 3i3d n PRO 64 N 1.78 0.22 -3.55 0.24 -0.04 -1.26 0.28 135.00 132.66 3i3d n PRO 64 Ca -0.20 0.41 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3i3d n PRO 64 Cb 0.55 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 3i3d n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i3d s ALA 65 N -3.31 -1.90 0.42 0.55 0.00 -1.23 -1.78 121.76 114.52 3i3d s ALA 65 Ca 0.05 1.42 0.08 0.00 0.00 0.00 0.00 51.96 53.51 3i3d s ALA 65 Cb 0.10 -0.36 0.90 0.00 0.00 0.00 0.00 23.12 23.76 3i3d s ALA 65 CO 0.43 -0.42 2.07 -1.00 0.00 0.00 0.00 175.76 176.84 3i3d h PRO 66 N 2.44 0.49 0.00 0.00 0.13 -1.88 -0.79 132.00 132.39 3i3d h PRO 66 Ca -0.20 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3i3d h PRO 66 Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3i3d h PRO 66 CO 0.31 0.32 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 3i3d n GLU 67 N -4.48 0.07 -0.31 0.86 4.71 -1.26 -1.34 120.64 118.89 3i3d n GLU 67 Ca 0.03 0.27 0.11 0.00 -0.01 0.00 0.00 57.16 57.56 3i3d n GLU 67 Cb 0.07 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.28 3i3d n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i3d n ALA 68 N -1.36 2.37 -2.59 0.62 0.00 -0.30 -4.91 120.51 114.34 3i3d n ALA 68 Ca 0.03 -1.21 -0.41 0.00 0.00 0.00 0.00 53.44 51.85 3i3d n ALA 68 Cb 0.06 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 3i3d n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i3d s VAL 69 N -1.12 4.93 0.18 0.00 1.01 -0.45 -4.99 120.40 119.97 3i3d s VAL 69 Ca 0.44 0.79 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 3i3d s VAL 69 Cb 0.24 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 3i3d s VAL 69 CO 0.31 -0.17 1.47 -2.16 0.00 0.00 0.00 175.10 174.55 3i3d s PRO 70 N 2.61 4.27 0.37 2.72 0.04 -1.26 -4.92 135.00 138.82 3i3d s PRO 70 Ca 0.25 2.25 0.13 0.00 0.04 0.00 0.00 61.00 63.66 3i3d s PRO 70 Cb -0.15 -3.17 0.95 0.00 0.04 0.00 0.00 34.50 32.17 3i3d s PRO 70 CO 0.12 -0.49 1.80 1.49 0.04 0.00 0.00 177.00 179.97 3i3d h GLU 71 N 6.22 0.54 -0.89 4.56 4.57 -2.00 -0.68 114.58 126.90 3i3d h GLU 71 Ca -0.44 -0.03 0.23 0.00 -1.18 0.00 0.00 59.36 57.94 3i3d h GLU 71 Cb 1.21 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.62 3i3d h GLU 71 CO 0.85 0.36 0.61 0.66 -1.18 0.00 0.00 179.01 180.31 3i3d h SER 72 N 0.55 0.25 -0.92 1.04 4.64 -1.92 -1.33 113.55 115.87 3i3d h SER 72 Ca 0.54 0.03 0.20 0.00 -0.47 0.00 0.00 61.79 62.10 3i3d h SER 72 Cb 1.14 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.14 3i3d h SER 72 CO -0.29 0.09 0.60 -0.25 -0.87 0.00 0.00 176.83 176.12 3i3d h TRP 73 N 0.24 0.61 -0.31 4.77 7.01 -1.25 0.10 115.95 127.13 3i3d h TRP 73 Ca 0.45 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.38 3i3d h TRP 73 Cb 1.38 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 28.24 3i3d h TRP 73 CO -0.00 0.16 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.54 3i3d h LEU 74 N 0.45 0.57 0.00 0.65 3.38 -1.43 -3.32 115.31 115.61 3i3d h LEU 74 Ca 0.49 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 3i3d h LEU 74 Cb 1.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3i3d h LEU 74 CO -0.20 0.77 -0.45 -0.33 0.09 0.00 0.00 178.44 178.31 3i3d h GLU 75 N 0.51 0.00 -4.09 1.13 4.39 -1.19 -3.27 114.58 112.06 3i3d h GLU 75 Ca 0.08 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.67 3i3d h GLU 75 Cb 0.62 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.12 3i3d h GLU 75 CO 0.04 0.91 -0.60 0.00 -1.16 0.00 0.00 179.01 178.20 3i3d n ASP 77 N 0.23 -1.15 -4.64 0.00 2.03 -1.26 -4.03 116.55 107.74 3i3d n ASP 77 Ca -0.15 0.64 -0.39 0.00 0.52 0.00 0.00 54.79 55.41 3i3d n ASP 77 Cb 0.61 -1.20 -0.08 0.00 -0.72 0.00 0.00 41.12 39.73 3i3d n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i3d s LEU 78 N 0.17 4.10 0.44 -2.67 1.43 -1.26 -4.92 118.68 115.98 3i3d s LEU 78 Ca 0.67 0.43 0.11 0.00 -1.03 0.00 0.00 54.13 54.31 3i3d s LEU 78 Cb -0.38 -2.49 0.97 0.00 0.03 0.00 0.00 46.19 44.32 3i3d s LEU 78 CO 0.57 -0.13 2.04 1.55 0.23 0.00 0.00 176.35 180.61 3i3d h PRO 79 N 7.71 0.26 0.00 1.29 0.13 -2.02 -1.49 132.00 137.87 3i3d h PRO 79 Ca -0.34 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3i3d h PRO 79 Cb 1.16 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i3d h PRO 79 CO 0.69 0.24 0.00 -0.85 -0.23 0.00 0.00 178.00 177.85 3i3d n GLU 80 N -4.43 0.05 -1.18 0.86 0.00 -1.26 -4.81 120.64 109.87 3i3d n GLU 80 Ca -0.00 0.16 -0.31 0.00 0.00 0.00 0.00 57.16 57.01 3i3d n GLU 80 Cb 0.14 -1.57 0.11 0.00 0.00 0.00 0.00 31.44 30.11 3i3d n GLU 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i3d s ALA 81 N -3.04 2.05 0.51 -1.84 0.00 -0.56 -5.01 121.76 113.86 3i3d s ALA 81 Ca 0.10 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.37 3i3d s ALA 81 Cb 0.14 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.98 3i3d s ALA 81 CO 0.43 -1.98 0.23 -0.51 0.00 0.00 0.00 175.76 173.93 3i3d s ASP 82 N -3.30 4.43 -0.31 0.00 1.01 -0.38 -4.90 116.67 113.21 3i3d s ASP 82 Ca 0.62 -1.35 -0.04 0.00 0.71 0.00 0.00 52.55 52.49 3i3d s ASP 82 Cb -0.18 0.30 0.04 0.00 1.01 0.00 0.00 42.92 44.09 3i3d s ASP 82 CO 0.56 -0.92 0.05 -0.89 0.21 0.00 0.00 175.17 174.18 3i3d s THR 83 N -2.78 3.42 0.24 -1.27 2.01 -1.26 -1.13 115.64 114.87 3i3d s THR 83 Ca 0.26 -1.16 0.11 0.00 0.31 0.00 0.00 61.69 61.20 3i3d s THR 83 Cb 0.00 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 3i3d s THR 83 CO 0.15 -0.08 -0.19 0.68 -0.69 0.00 0.00 174.62 174.49 3i3d s VAL 84 N 1.35 2.25 0.36 3.82 -7.23 -0.69 -4.92 120.40 115.34 3i3d s VAL 84 Ca -0.02 -2.26 -0.24 0.00 -1.81 0.00 0.00 61.98 57.64 3i3d s VAL 84 Cb -0.19 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.47 3i3d s VAL 84 CO 0.01 -0.38 0.96 -0.69 -0.31 0.00 0.00 175.10 174.68 3i3d s VAL 85 N -2.42 4.18 -0.01 1.32 1.01 -1.26 -0.86 120.40 122.36 3i3d s VAL 85 Ca 0.26 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.92 3i3d s VAL 85 Cb -0.05 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3i3d s VAL 85 CO 0.12 0.01 -0.05 -0.69 0.00 0.00 0.00 175.10 174.48 3i3d s VAL 86 N -1.76 0.44 0.68 2.92 1.01 -0.31 -4.19 120.40 119.20 3i3d s VAL 86 Ca 0.54 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 3i3d s VAL 86 Cb -0.17 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.83 3i3d s VAL 86 CO 0.22 0.14 1.11 -2.16 0.00 0.00 0.00 175.10 174.41 3i3d s PRO 87 N 0.07 2.69 -0.15 2.72 0.04 -1.26 -1.91 135.00 137.19 3i3d s PRO 87 Ca -0.00 1.36 -0.34 0.00 0.04 0.00 0.00 61.00 62.05 3i3d s PRO 87 Cb -0.05 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.69 3i3d s PRO 87 CO -0.00 -1.33 1.19 -1.54 0.04 0.00 0.00 177.00 175.35 3i3d s SER 88 N -2.72 -0.15 -0.17 6.66 1.04 -0.22 -4.92 113.70 113.23 3i3d s SER 88 Ca 0.66 -0.02 -0.06 0.00 0.48 0.00 0.00 55.95 57.01 3i3d s SER 88 Cb -0.20 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 3i3d s SER 88 CO 0.44 -0.28 0.04 0.20 0.98 0.00 0.00 173.24 174.62 3i3d s ASN 89 N -2.29 5.46 0.32 7.02 -0.87 -1.26 -3.36 114.94 119.96 3i3d s ASN 89 Ca 0.09 0.06 0.25 0.00 -1.57 0.00 0.00 52.86 51.70 3i3d s ASN 89 Cb -0.00 -1.89 1.12 0.00 -0.02 0.00 0.00 41.25 40.46 3i3d s ASN 89 CO -0.05 0.20 1.77 4.11 -2.57 0.00 0.00 177.10 180.56 3i3d h TRP 90 N 6.48 0.00 0.00 2.20 0.09 -1.85 -1.57 115.95 121.30 3i3d h TRP 90 Ca -0.38 0.00 -0.08 0.00 0.09 0.00 0.00 58.89 58.52 3i3d h TRP 90 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.40 3i3d h TRP 90 CO 0.57 0.00 -0.39 1.96 0.09 0.00 0.00 178.44 180.66 3i3d h GLN 91 N 0.00 0.00 0.00 0.12 7.50 -1.80 -1.76 115.11 119.16 3i3d h GLN 91 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3i3d h GLN 91 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.85 3i3d h GLN 91 CO 0.00 0.39 0.00 -1.33 -1.50 0.00 0.00 178.83 176.39 3i3d n MET 92 N -3.89 0.16 0.00 1.46 2.81 -0.59 -2.31 117.12 114.76 3i3d n MET 92 Ca -0.01 0.27 0.10 0.00 -1.81 0.00 0.00 57.70 56.25 3i3d n MET 92 Cb 0.45 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 31.14 3i3d n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3i3d n HIS 93 N -2.04 0.00 -0.14 2.03 8.25 -0.70 -4.99 115.22 117.64 3i3d n HIS 93 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3i3d n HIS 93 Cb 0.30 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3i3d n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i3d n GLY 94 N 1.48 0.57 0.32 -1.41 0.00 -0.98 -4.98 105.19 100.20 3i3d n GLY 94 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3i3d n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i3d h TYR 95 N 0.00 0.70 -3.48 1.61 -1.99 -1.75 -3.45 116.97 108.60 3i3d h TYR 95 Ca 0.00 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.63 3i3d h TYR 95 Cb 0.00 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.45 3i3d h TYR 95 CO 0.00 0.46 0.06 0.16 -0.00 0.00 0.00 178.16 178.83 3i3d s ASP 96 N -6.56 0.29 0.03 3.88 1.47 -1.26 -5.06 116.67 109.46 3i3d s ASP 96 Ca -0.09 -1.19 -0.11 0.00 1.18 0.00 0.00 52.55 52.33 3i3d s ASP 96 Cb 0.17 0.74 -0.06 0.00 -0.34 0.00 0.00 42.92 43.44 3i3d s ASP 96 CO 0.76 -1.45 0.38 0.00 0.68 0.00 0.00 175.17 175.53 3i3d s ALA 97 N -2.94 3.73 0.38 2.11 0.00 -1.26 -4.41 121.76 119.36 3i3d s ALA 97 Ca 0.21 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 3i3d s ALA 97 Cb -0.03 -2.28 -0.10 0.00 0.00 0.00 0.00 23.12 20.71 3i3d s ALA 97 CO 0.14 0.54 0.99 -1.25 0.00 0.00 0.00 175.76 176.18 3i3d s PRO 98 N -1.53 4.33 -0.12 0.00 0.04 -1.26 -5.00 135.00 131.46 3i3d s PRO 98 Ca 0.28 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3i3d s PRO 98 Cb -0.15 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3i3d s PRO 98 CO 0.15 0.04 -0.14 0.42 0.04 0.00 0.00 177.00 177.51 3i3d s ILE 99 N -1.76 3.02 -0.37 0.56 1.01 -1.11 -4.64 121.20 117.90 3i3d s ILE 99 Ca 0.56 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 3i3d s ILE 99 Cb -0.18 -2.25 0.06 0.00 0.01 0.00 0.00 42.46 40.10 3i3d s ILE 99 CO 0.23 0.53 0.16 -0.47 0.00 0.00 0.00 174.94 175.40 3i3d s TYR 100 N 0.23 3.33 0.00 3.97 5.04 -1.26 0.02 117.35 128.68 3i3d s TYR 100 Ca -0.09 -1.63 0.03 0.00 -2.44 0.00 0.00 57.07 52.94 3i3d s TYR 100 Cb -0.15 -2.63 -0.01 0.00 0.35 0.00 0.00 41.96 39.52 3i3d s TYR 100 CO 0.05 -0.81 -0.09 -0.08 -1.34 0.00 0.00 175.55 173.28 3i3d s THR 101 N 1.36 0.73 0.00 4.34 -1.32 -1.26 -1.37 115.64 118.11 3i3d s THR 101 Ca 0.01 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 3i3d s THR 101 Cb -0.21 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3i3d s THR 101 CO 0.01 0.12 0.00 -3.20 -2.21 0.00 0.00 174.62 169.34 3i3d n ASN 102 N 2.62 0.00 -0.07 8.08 2.85 -1.26 -4.03 115.26 123.45 3i3d n ASN 102 Ca -0.15 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.27 3i3d n ASN 102 Cb 0.56 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.56 3i3d n ASN 102 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3i3d h VAL 103 N 0.00 0.06 -2.19 3.44 2.07 -1.93 -3.36 116.25 114.35 3i3d h VAL 103 Ca 0.00 -1.08 -0.62 0.00 0.82 0.00 0.00 66.70 65.82 3i3d h VAL 103 Cb 0.00 0.15 0.07 0.00 -1.52 0.00 0.00 31.29 29.99 3i3d h VAL 103 CO 0.00 0.02 0.55 0.41 0.02 0.00 0.00 177.57 178.57 3i3d n THR 104 N -4.62 0.48 -1.92 2.57 -1.04 -1.26 -3.31 114.28 105.18 3i3d n THR 104 Ca -0.08 -0.12 -0.37 0.00 -2.04 0.00 0.00 64.05 61.44 3i3d n THR 104 Cb 0.27 -1.21 0.04 0.00 -1.82 0.00 0.00 70.33 67.61 3i3d n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3i3d s TYR 105 N 0.28 2.35 -1.49 -1.42 1.51 -1.26 -4.87 117.35 112.45 3i3d s TYR 105 Ca 0.76 1.47 0.23 0.00 -1.01 0.00 0.00 57.07 58.51 3i3d s TYR 105 Cb -0.77 -3.61 1.17 0.00 -0.11 0.00 0.00 41.96 38.64 3i3d s TYR 105 CO 0.46 -2.48 1.74 -0.35 -1.11 0.00 0.00 175.55 173.81 3i3d n PRO 106 N -1.35 0.37 -4.20 -1.71 -0.04 -1.26 -4.75 135.00 122.06 3i3d n PRO 106 Ca 0.12 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 3i3d n PRO 106 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 3i3d n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i3d s ILE 107 N -2.51 0.96 0.28 0.52 -4.36 -1.26 -5.05 121.20 109.79 3i3d s ILE 107 Ca 0.23 -1.88 -0.30 0.00 -0.26 0.00 0.00 60.65 58.43 3i3d s ILE 107 Cb 0.15 -1.64 -0.12 0.00 1.25 0.00 0.00 42.46 42.11 3i3d s ILE 107 CO 0.33 -0.72 1.54 0.41 0.24 0.00 0.00 174.94 176.75 3i3d n THR 108 N 0.10 1.04 -2.43 8.37 -1.04 -1.26 -4.87 114.28 114.19 3i3d n THR 108 Ca -0.13 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.05 61.23 3i3d n THR 108 Cb 0.60 -1.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.25 3i3d n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i3d s VAL 109 N -0.06 3.70 -0.41 12.58 1.01 -1.26 -4.78 120.40 131.18 3i3d s VAL 109 Ca 0.65 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.66 3i3d s VAL 109 Cb -0.54 -4.73 0.32 0.00 0.00 0.00 0.00 36.38 31.43 3i3d s VAL 109 CO 0.49 -1.66 0.85 -3.20 0.00 0.00 0.00 175.10 171.59 3i3d n ASN 110 N 10.17 -0.60 -4.66 3.32 5.15 -1.26 -5.13 115.26 122.25 3i3d n ASN 110 Ca 0.18 -3.23 -0.43 0.00 -0.60 0.00 0.00 54.58 50.51 3i3d n ASN 110 Cb 0.50 0.43 -0.00 0.00 -0.53 0.00 0.00 39.78 40.17 3i3d n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3i3d n PRO 111 N 0.54 1.80 -0.18 1.20 -0.04 -1.26 -1.09 135.00 135.98 3i3d n PRO 111 Ca 0.17 0.63 0.09 0.00 -0.04 0.00 0.00 63.50 64.36 3i3d n PRO 111 Cb 0.66 -2.17 0.27 0.00 -0.04 0.00 0.00 33.50 32.21 3i3d n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3i3d n PRO 112 N 0.49 2.07 -2.06 0.54 -0.04 -1.26 -5.10 135.00 129.63 3i3d n PRO 112 Ca 0.07 -1.63 -0.35 0.00 -0.04 0.00 0.00 63.50 61.55 3i3d n PRO 112 Cb 0.36 -1.41 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3i3d n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3d s PHE 113 N -1.53 2.56 0.37 0.54 0.40 -0.25 -4.22 117.98 115.85 3i3d s PHE 113 Ca 0.33 1.54 0.04 0.00 -0.60 0.00 0.00 56.93 58.24 3i3d s PHE 113 Cb 0.18 -3.32 -0.05 0.00 0.51 0.00 0.00 43.02 40.34 3i3d s PHE 113 CO 0.25 -1.80 0.07 0.14 0.70 0.00 0.00 175.22 174.58 3i3d s VAL 114 N -1.85 1.08 0.50 -0.44 -7.23 -1.26 -4.53 120.40 106.68 3i3d s VAL 114 Ca 0.73 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.67 3i3d s VAL 114 Cb -0.25 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 33.99 3i3d s VAL 114 CO 0.32 0.00 1.35 -2.84 -0.31 0.00 0.00 175.10 173.62 3i3d s PRO 115 N -3.83 3.39 0.32 4.82 0.02 -1.26 -4.89 135.00 133.57 3i3d s PRO 115 Ca 0.30 2.22 0.07 0.00 0.02 0.00 0.00 61.00 63.61 3i3d s PRO 115 Cb 0.07 -2.40 0.54 0.00 0.02 0.00 0.00 34.50 32.73 3i3d s PRO 115 CO 0.14 -0.98 1.76 1.79 -0.33 0.00 0.00 177.00 179.38 3i3d h THR 116 N 1.76 1.27 -2.10 0.99 1.35 -2.00 -3.25 112.91 110.93 3i3d h THR 116 Ca -0.51 -1.32 -0.72 0.00 -0.55 0.00 0.00 66.41 63.31 3i3d h THR 116 Cb 1.28 1.55 -0.17 0.00 -1.73 0.00 0.00 68.15 69.08 3i3d h THR 116 CO 0.59 0.40 1.34 -0.70 -0.25 0.00 0.00 175.52 176.89 3i3d s GLU 117 N -4.31 4.01 -0.41 4.72 2.12 -1.26 -4.74 118.70 118.82 3i3d s GLU 117 Ca -0.05 -2.41 -0.04 0.00 0.36 0.00 0.00 54.97 52.84 3i3d s GLU 117 Cb 0.14 -5.08 0.11 0.00 0.26 0.00 0.00 34.13 29.56 3i3d s GLU 117 CO 0.76 -1.81 0.21 1.21 -0.54 0.00 0.00 175.26 175.10 3i3d s ASN 118 N 3.06 5.31 0.05 -1.70 2.47 -0.73 -4.96 114.94 118.45 3i3d s ASN 118 Ca 0.42 -1.97 -0.37 0.00 0.42 0.00 0.00 52.86 51.36 3i3d s ASN 118 Cb -0.03 -1.85 -0.19 0.00 -1.45 0.00 0.00 41.25 37.73 3i3d s ASN 118 CO -0.01 -0.55 0.98 -2.65 -3.72 0.00 0.00 177.10 171.15 3i3d n PRO 119 N 4.64 0.08 -4.16 0.43 -0.02 -1.21 -3.56 135.00 131.21 3i3d n PRO 119 Ca -0.04 0.03 -0.27 0.00 -2.02 0.00 0.00 63.50 61.20 3i3d n PRO 119 Cb 0.41 -1.44 -0.17 0.00 -0.02 0.00 0.00 33.50 32.29 3i3d n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i3d s THR 120 N -0.18 1.20 -0.23 3.45 2.01 0.14 -1.48 115.64 120.56 3i3d s THR 120 Ca 0.85 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 62.29 3i3d s THR 120 Cb -1.18 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 3i3d s THR 120 CO 0.56 0.39 0.26 -0.83 -0.69 0.00 0.00 174.62 174.31 3i3d s GLY 121 N 1.33 2.01 -0.48 4.40 0.00 0.10 -1.02 107.32 113.67 3i3d s GLY 121 Ca -0.01 -0.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.84 3i3d s GLY 121 CO -0.05 0.59 0.36 0.00 0.00 0.00 0.00 173.10 174.00 3i3d s TYR 123 N 1.39 3.48 -0.07 0.00 1.51 -0.38 -1.23 117.35 122.05 3i3d s TYR 123 Ca 0.05 0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 56.26 3i3d s TYR 123 Cb -0.27 -1.91 0.06 0.00 -0.11 0.00 0.00 41.96 39.74 3i3d s TYR 123 CO -0.00 0.38 0.60 -1.54 -1.11 0.00 0.00 175.55 173.87 3i3d s SER 124 N -2.99 -0.56 -0.07 2.29 1.04 0.23 -0.90 113.70 112.73 3i3d s SER 124 Ca 0.39 0.67 -0.06 0.00 0.48 0.00 0.00 55.95 57.44 3i3d s SER 124 Cb -0.11 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.64 3i3d s SER 124 CO 0.28 -0.52 0.19 -0.22 0.98 0.00 0.00 173.24 173.96 3i3d s LEU 125 N -0.98 1.10 -0.25 2.42 2.96 -0.47 -0.51 118.68 122.96 3i3d s LEU 125 Ca -0.10 0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 3i3d s LEU 125 Cb -0.02 0.62 0.00 0.00 0.50 0.00 0.00 46.19 47.30 3i3d s LEU 125 CO 0.07 -0.09 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.12 3i3d s THR 126 N 0.39 3.50 0.14 3.68 2.01 -1.26 0.02 115.64 124.13 3i3d s THR 126 Ca -0.02 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 3i3d s THR 126 Cb -0.04 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3i3d s THR 126 CO -0.02 0.28 0.05 0.72 -0.69 0.00 0.00 174.62 174.96 3i3d s PHE 127 N 1.46 0.93 0.08 4.92 -0.12 -0.01 -4.94 117.98 120.31 3i3d s PHE 127 Ca 0.04 -1.21 -0.03 0.00 -0.05 0.00 0.00 56.93 55.68 3i3d s PHE 127 Cb -0.16 -0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 41.67 3i3d s PHE 127 CO -0.01 -0.48 0.28 1.21 -0.05 0.00 0.00 175.22 176.16 3i3d s ASN 128 N -3.07 6.42 -0.05 1.98 2.47 -1.26 -0.06 114.94 121.37 3i3d s ASN 128 Ca 0.25 0.42 -0.01 0.00 0.42 0.00 0.00 52.86 53.94 3i3d s ASN 128 Cb 0.07 -2.02 0.03 0.00 -1.45 0.00 0.00 41.25 37.88 3i3d s ASN 128 CO 0.03 0.13 0.01 -0.69 -3.72 0.00 0.00 177.10 172.86 3i3d s VAL 129 N -1.54 0.20 0.37 -5.21 1.01 0.68 -4.96 120.40 110.95 3i3d s VAL 129 Ca 0.36 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.26 3i3d s VAL 129 Cb -0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.80 3i3d s VAL 129 CO 0.25 0.20 1.18 -0.62 0.00 0.00 0.00 175.10 176.12 3i3d s ASP 130 N 1.69 6.67 0.37 3.32 2.15 -1.26 -1.46 116.67 128.14 3i3d s ASP 130 Ca -0.00 2.40 0.11 0.00 0.43 0.00 0.00 52.55 55.48 3i3d s ASP 130 Cb -0.13 -2.62 0.87 0.00 -0.30 0.00 0.00 42.92 40.74 3i3d s ASP 130 CO -0.03 -0.58 1.88 -0.08 -0.17 0.00 0.00 175.17 176.18 3i3d h GLU 131 N 2.93 0.61 -0.91 4.34 4.57 -1.95 -1.97 114.58 122.20 3i3d h GLU 131 Ca -0.48 -0.04 0.13 0.00 -1.18 0.00 0.00 59.36 57.79 3i3d h GLU 131 Cb 1.23 -0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 29.59 3i3d h GLU 131 CO 0.64 0.40 0.53 0.66 -1.18 0.00 0.00 179.01 180.06 3i3d h SER 132 N 0.63 0.72 0.16 1.04 4.64 -1.98 0.11 113.55 118.86 3i3d h SER 132 Ca 0.44 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.81 3i3d h SER 132 Cb 0.77 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3i3d h SER 132 CO -0.19 0.35 -0.08 -0.50 -0.87 0.00 0.00 176.83 175.54 3i3d h TRP 133 N 0.79 0.00 0.00 4.77 4.06 -1.64 -2.80 115.95 121.14 3i3d h TRP 133 Ca 0.48 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.41 3i3d h TRP 133 Cb 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 3i3d h TRP 133 CO -0.05 0.08 -1.90 1.28 -3.56 0.00 0.00 178.44 174.30 3i3d n LEU 134 N -3.97 0.11 -0.01 -4.49 4.77 -0.11 -4.28 117.00 109.01 3i3d n LEU 134 Ca -0.02 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.01 3i3d n LEU 134 Cb 0.17 0.02 0.34 0.00 -2.33 0.00 0.00 43.42 41.61 3i3d n LEU 134 CO 0.31 0.00 1.02 1.56 -1.33 0.00 0.00 177.39 178.95 3i3d h GLN 135 N 0.00 0.54 -3.18 3.23 4.20 -0.60 -3.45 115.11 115.86 3i3d h GLN 135 Ca -0.03 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3i3d h GLN 135 Cb 1.06 -0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.62 3i3d h GLN 135 CO 0.00 0.49 0.07 -1.83 -0.67 0.00 0.00 178.83 176.89 3i3d s GLU 136 N -5.17 1.17 0.79 1.46 -1.05 -1.23 -5.11 118.70 109.56 3i3d s GLU 136 Ca -0.08 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.16 3i3d s GLU 136 Cb 0.16 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.38 3i3d s GLU 136 CO 0.75 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.89 3i3d n GLY 137 N -0.28 -1.91 3.15 -3.83 0.00 -1.26 -4.72 105.19 96.33 3i3d n GLY 137 Ca -0.17 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 3i3d n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3d s GLN 138 N 0.00 2.57 -0.23 1.61 0.74 0.17 -4.81 119.66 119.70 3i3d s GLN 138 Ca 0.00 -0.71 -0.05 0.00 0.05 0.00 0.00 55.36 54.65 3i3d s GLN 138 Cb 0.00 -1.98 -0.01 0.00 1.10 0.00 0.00 33.01 32.12 3i3d s GLN 138 CO 0.00 0.12 -0.01 0.99 -0.55 0.00 0.00 175.29 175.84 3i3d s THR 139 N 0.47 3.59 0.15 -0.34 2.01 -1.26 -0.95 115.64 119.30 3i3d s THR 139 Ca -0.17 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.47 3i3d s THR 139 Cb -0.17 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3i3d s THR 139 CO 0.07 0.38 -0.21 0.00 -0.69 0.00 0.00 174.62 174.17 3i3d s ARG 140 N 1.51 1.31 -0.10 4.92 1.70 0.07 -0.34 118.95 128.02 3i3d s ARG 140 Ca 0.06 -1.37 -0.01 0.00 -0.47 0.00 0.00 55.73 53.93 3i3d s ARG 140 Cb -0.15 -1.52 -0.03 0.00 -0.57 0.00 0.00 34.95 32.68 3i3d s ARG 140 CO -0.02 0.33 -0.03 -1.50 -1.08 0.00 0.00 175.30 173.01 3i3d s ILE 141 N -1.64 4.04 -0.15 4.99 2.07 -0.05 0.27 121.20 130.73 3i3d s ILE 141 Ca 0.14 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 3i3d s ILE 141 Cb -0.08 -2.70 0.02 0.00 0.13 0.00 0.00 42.46 39.83 3i3d s ILE 141 CO 0.07 0.58 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.86 3i3d s ILE 142 N -0.59 1.87 -0.43 2.00 1.01 0.21 -1.78 121.20 123.48 3i3d s ILE 142 Ca 0.09 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 3i3d s ILE 142 Cb -0.12 -1.69 0.10 0.00 0.01 0.00 0.00 42.46 40.76 3i3d s ILE 142 CO 0.02 0.51 0.27 -0.36 0.00 0.00 0.00 174.94 175.38 3i3d s PHE 143 N 1.12 3.41 0.43 3.97 0.40 -0.41 -1.06 117.98 125.85 3i3d s PHE 143 Ca -0.01 -1.82 0.11 0.00 -0.60 0.00 0.00 56.93 54.61 3i3d s PHE 143 Cb -0.14 -3.17 0.94 0.00 0.51 0.00 0.00 43.02 41.16 3i3d s PHE 143 CO -0.07 -0.92 2.00 -0.44 0.70 0.00 0.00 175.22 176.49 3i3d h ASP 144 N 8.35 0.19 -2.35 1.36 3.32 -1.42 0.26 116.42 126.12 3i3d h ASP 144 Ca -0.20 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.83 3i3d h ASP 144 Cb 1.07 -0.05 -0.23 0.00 0.22 0.00 0.00 39.33 40.35 3i3d h ASP 144 CO 0.78 0.26 -0.19 -0.83 -1.72 0.00 0.00 179.24 177.54 3i3d s GLY 145 N -4.01 -0.59 -0.13 2.75 0.00 -1.26 -3.05 107.32 101.02 3i3d s GLY 145 Ca -0.06 2.08 -0.03 0.00 0.00 0.00 0.00 44.72 46.72 3i3d s GLY 145 CO 0.71 2.72 0.04 0.14 0.00 0.00 0.00 173.10 176.71 3i3d s VAL 146 N 2.56 0.24 -0.27 1.40 1.01 -1.25 -2.42 120.40 121.67 3i3d s VAL 146 Ca -0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3i3d s VAL 146 Cb -0.11 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3i3d s VAL 146 CO -0.17 -0.05 0.14 0.21 0.00 0.00 0.00 175.10 175.24 3i3d s ASN 147 N 2.00 5.65 0.00 3.32 3.84 -0.32 -4.00 114.94 125.45 3i3d s ASN 147 Ca 0.02 -0.12 0.04 0.00 0.21 0.00 0.00 52.86 53.01 3i3d s ASN 147 Cb -0.15 -2.04 -0.02 0.00 -0.55 0.00 0.00 41.25 38.49 3i3d s ASN 147 CO -0.07 -0.06 0.26 -1.54 -2.79 0.00 0.00 177.10 172.91 3i3d n SER 148 N 5.01 0.44 -3.54 -4.21 3.41 -0.80 -0.39 113.62 113.52 3i3d n SER 148 Ca -0.15 -0.72 -0.10 0.00 -0.26 0.00 0.00 58.87 57.64 3i3d n SER 148 Cb 0.52 0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 65.21 3i3d n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3d s ALA 149 N -1.10 -1.51 -0.03 7.33 0.00 -1.18 -3.78 121.76 121.50 3i3d s ALA 149 Ca 0.02 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 3i3d s ALA 149 Cb 0.03 0.86 0.11 0.00 0.00 0.00 0.00 23.12 24.11 3i3d s ALA 149 CO 0.12 -0.84 0.94 -0.59 0.00 0.00 0.00 175.76 175.39 3i3d s PHE 150 N -3.77 -0.30 0.03 0.00 -0.12 -1.04 -1.13 117.98 111.65 3i3d s PHE 150 Ca 0.04 0.17 0.08 0.00 -0.05 0.00 0.00 56.93 57.16 3i3d s PHE 150 Cb -0.02 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 3i3d s PHE 150 CO -0.08 -0.50 -0.21 -1.01 -0.05 0.00 0.00 175.22 173.37 3i3d s HIS 151 N -3.02 2.48 -0.06 3.49 3.76 -0.79 -2.39 115.29 118.77 3i3d s HIS 151 Ca 0.06 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.72 3i3d s HIS 151 Cb -0.01 -1.46 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 3i3d s HIS 151 CO -0.08 0.19 -0.24 -1.17 -0.85 0.00 0.00 174.74 172.59 3i3d s LEU 152 N -1.26 2.04 0.03 0.89 2.96 0.14 -1.51 118.68 121.97 3i3d s LEU 152 Ca 0.13 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 3i3d s LEU 152 Cb -0.10 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 3i3d s LEU 152 CO 0.03 0.23 -0.16 0.26 -1.32 0.00 0.00 176.35 175.39 3i3d s TRP 153 N -0.12 1.41 -0.11 5.38 0.51 0.64 0.59 118.94 127.24 3i3d s TRP 153 Ca -0.04 -0.33 -0.01 0.00 -2.12 0.00 0.00 56.10 53.60 3i3d s TRP 153 Cb -0.13 -0.86 0.03 0.00 -0.81 0.00 0.00 33.47 31.70 3i3d s TRP 153 CO 0.03 0.03 -0.04 0.00 -0.51 0.00 0.00 176.95 176.47 3i3d n ASN 155 N 5.02 -3.04 0.00 0.00 3.02 0.10 -1.81 115.26 118.55 3i3d n ASN 155 Ca -0.10 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3i3d n ASN 155 Cb 0.50 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 3i3d n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3d n GLY 156 N -1.63 2.98 3.78 7.41 0.00 -1.23 -5.00 105.19 111.49 3i3d n GLY 156 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3i3d n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3d s ARG 157 N -0.11 4.20 -0.09 1.61 0.52 -0.75 -4.92 118.95 119.42 3i3d s ARG 157 Ca 0.00 0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 55.49 3i3d s ARG 157 Cb 0.00 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 3i3d s ARG 157 CO 0.00 0.44 1.48 -0.46 0.02 0.00 0.00 175.30 176.79 3i3d s TRP 158 N -0.37 2.39 -0.16 -0.53 -0.00 -1.26 -0.17 118.94 118.85 3i3d s TRP 158 Ca 0.27 0.56 -0.12 0.00 -0.00 0.00 0.00 56.10 56.81 3i3d s TRP 158 Cb -0.17 -3.74 -0.06 0.00 -0.00 0.00 0.00 33.47 29.49 3i3d s TRP 158 CO 0.15 -2.92 -0.11 0.28 -0.00 0.00 0.00 176.95 174.34 3i3d n VAL 159 N 5.34 1.45 -3.21 5.86 0.31 0.20 -4.93 118.33 123.34 3i3d n VAL 159 Ca 0.16 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 3i3d n VAL 159 Cb 0.44 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 3i3d n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i3d n GLY 160 N 1.57 1.20 3.12 2.92 0.00 -1.10 -4.78 105.19 108.11 3i3d n GLY 160 Ca -0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 3i3d n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i3d s TYR 161 N -3.51 0.26 -0.08 1.61 5.04 -0.78 -0.68 117.35 119.20 3i3d s TYR 161 Ca 0.00 -0.63 -0.30 0.00 -2.44 0.00 0.00 57.07 53.70 3i3d s TYR 161 Cb 0.00 -0.19 0.10 0.00 0.35 0.00 0.00 41.96 42.22 3i3d s TYR 161 CO 0.00 -0.38 0.82 0.20 -1.34 0.00 0.00 175.55 174.85 3i3d s GLY 162 N -2.36 -0.44 0.44 8.97 0.00 -1.01 -0.54 107.32 112.39 3i3d s GLY 162 Ca -0.02 1.56 0.04 0.00 0.00 0.00 0.00 44.72 46.30 3i3d s GLY 162 CO -0.06 0.91 0.13 -1.06 0.00 0.00 0.00 173.10 173.02 3i3d n GLN 163 N 0.70 0.59 -1.27 2.90 6.02 -0.12 -2.50 117.38 123.70 3i3d n GLN 163 Ca -0.15 -3.66 0.00 0.00 -0.01 0.00 0.00 57.00 53.19 3i3d n GLN 163 Cb 0.58 1.81 0.00 0.00 1.02 0.00 0.00 30.24 33.66 3i3d n GLN 163 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3i3d n ASP 164 N -1.47 -1.69 0.00 1.08 -0.08 -1.25 -4.93 116.55 108.22 3i3d n ASP 164 Ca -0.09 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.23 3i3d n ASP 164 Cb 0.65 -0.85 0.18 0.00 2.34 0.00 0.00 41.12 43.44 3i3d n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3i3d n SER 165 N 0.00 0.00 -0.17 1.67 7.64 -1.26 -3.55 113.62 117.95 3i3d n SER 165 Ca 0.00 0.40 0.03 0.00 1.01 0.00 0.00 58.87 60.31 3i3d n SER 165 Cb 0.00 -0.44 0.06 0.00 -1.01 0.00 0.00 64.21 62.82 3i3d n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i3d n ARG 166 N -1.44 2.75 -4.17 1.43 5.12 -1.26 -3.79 116.66 115.31 3i3d n ARG 166 Ca 0.02 -1.80 -0.17 0.00 -1.93 0.00 0.00 57.85 53.98 3i3d n ARG 166 Cb 0.08 -1.15 -0.12 0.00 -1.16 0.00 0.00 32.46 30.11 3i3d n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i3d s LEU 167 N -1.32 2.24 0.48 0.55 1.43 -1.23 -4.49 118.68 116.34 3i3d s LEU 167 Ca 0.10 -0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 52.41 3i3d s LEU 167 Cb 0.07 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 3i3d s LEU 167 CO 0.04 -0.09 1.40 -2.16 0.23 0.00 0.00 176.35 175.77 3i3d s PRO 168 N -1.53 3.54 -0.16 1.29 0.04 -1.17 -4.57 135.00 132.43 3i3d s PRO 168 Ca -0.04 2.36 0.01 0.00 0.04 0.00 0.00 61.00 63.38 3i3d s PRO 168 Cb -0.09 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.92 3i3d s PRO 168 CO 0.01 -0.91 -0.20 -1.12 0.04 0.00 0.00 177.00 174.83 3i3d s SER 169 N -0.64 3.04 -0.05 6.66 0.01 0.08 -4.95 113.70 117.85 3i3d s SER 169 Ca 0.64 -0.61 0.06 0.00 1.31 0.00 0.00 55.95 57.36 3i3d s SER 169 Cb -0.43 -1.41 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 3i3d s SER 169 CO 0.54 0.02 -0.24 -1.61 0.41 0.00 0.00 173.24 172.36 3i3d s GLU 170 N 1.15 2.41 -0.01 12.44 2.02 -1.26 -1.28 118.70 134.18 3i3d s GLU 170 Ca 0.01 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.14 3i3d s GLU 170 Cb -0.14 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 3i3d s GLU 170 CO -0.09 0.47 -0.10 -0.06 0.02 0.00 0.00 175.26 175.50 3i3d s PHE 171 N -0.37 0.90 -0.44 1.61 0.40 -0.74 -0.38 117.98 118.97 3i3d s PHE 171 Ca 0.03 -0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 55.89 3i3d s PHE 171 Cb -0.12 -0.57 0.02 0.00 0.51 0.00 0.00 43.02 42.86 3i3d s PHE 171 CO 0.02 -0.01 1.16 0.34 0.70 0.00 0.00 175.22 177.43 3i3d s ASP 172 N -0.29 6.65 0.00 1.36 -1.08 -1.26 -0.87 116.67 121.18 3i3d s ASP 172 Ca 0.04 0.62 0.23 0.00 -0.52 0.00 0.00 52.55 52.91 3i3d s ASP 172 Cb -0.04 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.35 3i3d s ASP 172 CO -0.00 -1.21 1.43 0.18 0.52 0.00 0.00 175.17 176.08 3i3d n LEU 173 N 7.79 3.08 -0.28 -1.34 4.77 0.54 -4.58 117.00 126.98 3i3d n LEU 173 Ca 0.13 -1.31 0.08 0.00 -0.03 0.00 0.00 56.01 54.88 3i3d n LEU 173 Cb 0.48 -0.21 0.19 0.00 -2.33 0.00 0.00 43.42 41.56 3i3d n LEU 173 CO 0.69 0.65 0.81 0.28 -1.33 0.00 0.00 177.39 178.50 3i3d h SER 174 N 4.03 -0.39 -0.02 -1.43 0.02 -1.77 0.96 113.55 114.95 3i3d h SER 174 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3i3d h SER 174 Cb 0.89 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3i3d h SER 174 CO 0.00 -0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.47 3i3d n ALA 175 N -3.02 2.61 -0.01 3.77 0.00 -1.26 -3.93 120.51 118.68 3i3d n ALA 175 Ca 0.16 -0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.31 3i3d n ALA 175 Cb 0.55 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 3i3d n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i3d n PHE 176 N -0.26 0.00 -2.25 0.00 3.01 0.24 -5.04 117.46 113.16 3i3d n PHE 176 Ca 0.20 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.38 3i3d n PHE 176 Cb 0.26 -0.28 0.01 0.00 -0.01 0.00 0.00 39.48 39.46 3i3d n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i3d s LEU 177 N -3.85 3.35 0.08 4.37 1.43 -0.65 -4.72 118.68 118.69 3i3d s LEU 177 Ca -0.04 1.09 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 3i3d s LEU 177 Cb 0.07 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 3i3d s LEU 177 CO 0.49 -0.84 -0.10 -0.13 0.23 0.00 0.00 176.35 176.00 3i3d s ARG 178 N -5.00 0.79 0.31 1.70 0.52 -1.26 -5.04 118.95 110.96 3i3d s ARG 178 Ca 0.52 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.38 3i3d s ARG 178 Cb -0.11 -0.53 -0.10 0.00 0.52 0.00 0.00 34.95 34.73 3i3d s ARG 178 CO 0.49 0.09 1.33 0.00 0.02 0.00 0.00 175.30 177.23 3i3d s ALA 179 N -2.12 3.52 0.00 2.13 0.00 -1.26 -4.60 121.76 119.43 3i3d s ALA 179 Ca 0.02 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3i3d s ALA 179 Cb -0.05 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3i3d s ALA 179 CO 0.00 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3i3d n GLY 180 N 1.18 1.01 3.81 0.00 0.00 -0.54 -4.96 105.19 105.69 3i3d n GLY 180 Ca 0.02 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 3i3d n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3d s GLU 181 N 0.00 4.27 0.12 1.61 2.02 -1.26 -0.23 118.70 125.23 3i3d s GLU 181 Ca 0.00 0.85 0.01 0.00 0.02 0.00 0.00 54.97 55.85 3i3d s GLU 181 Cb 0.00 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 3i3d s GLU 181 CO 0.00 0.50 -0.02 -0.80 0.02 0.00 0.00 175.26 174.96 3i3d s ASN 182 N -1.43 0.88 -0.07 -0.19 0.01 0.91 -4.81 114.94 110.24 3i3d s ASN 182 Ca 0.38 -1.09 -0.01 0.00 -0.71 0.00 0.00 52.86 51.43 3i3d s ASN 182 Cb -0.18 0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.66 3i3d s ASN 182 CO 0.21 -0.57 -0.02 -0.60 -1.51 0.00 0.00 177.10 174.61 3i3d s ARG 183 N -3.91 0.80 0.05 -0.60 3.52 -1.26 -0.83 118.95 116.73 3i3d s ARG 183 Ca 0.17 -0.00 -0.05 0.00 -0.13 0.00 0.00 55.73 55.71 3i3d s ARG 183 Cb 0.06 -1.02 -0.05 0.00 -1.56 0.00 0.00 34.95 32.39 3i3d s ARG 183 CO -0.02 -0.23 0.29 -0.51 -0.81 0.00 0.00 175.30 174.02 3i3d s LEU 184 N 1.63 4.34 -0.06 -0.88 1.43 0.10 -0.72 118.68 124.51 3i3d s LEU 184 Ca 0.00 0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 3i3d s LEU 184 Cb -0.13 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.22 3i3d s LEU 184 CO -0.04 0.18 -0.02 0.00 0.23 0.00 0.00 176.35 176.70 3i3d s ALA 185 N -1.43 0.73 -0.15 4.21 0.00 0.03 -1.36 121.76 123.79 3i3d s ALA 185 Ca 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3i3d s ALA 185 Cb -0.13 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.39 3i3d s ALA 185 CO 0.20 -0.28 -0.11 0.08 0.00 0.00 0.00 175.76 175.65 3i3d s VAL 186 N 1.53 1.43 -0.46 0.00 1.01 -0.08 -0.26 120.40 123.56 3i3d s VAL 186 Ca -0.01 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 3i3d s VAL 186 Cb -0.13 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 34.90 3i3d s VAL 186 CO -0.03 0.36 0.41 -0.32 0.00 0.00 0.00 175.10 175.52 3i3d s MET 187 N 1.53 3.01 -0.28 2.72 1.75 -0.57 -1.25 119.30 126.21 3i3d s MET 187 Ca 0.04 -1.16 -0.14 0.00 -1.25 0.00 0.00 55.69 53.17 3i3d s MET 187 Cb -0.14 -4.08 -0.04 0.00 2.84 0.00 0.00 34.83 33.42 3i3d s MET 187 CO -0.10 -0.99 0.33 0.08 -0.65 0.00 0.00 175.02 173.70 3i3d s VAL 188 N 1.84 5.20 -0.16 10.11 1.01 0.12 -1.89 120.40 136.64 3i3d s VAL 188 Ca 0.07 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.27 3i3d s VAL 188 Cb -0.22 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3i3d s VAL 188 CO 0.09 0.14 0.44 -0.76 0.00 0.00 0.00 175.10 175.00 3i3d s LEU 189 N 1.99 4.22 0.12 3.92 1.43 -0.29 0.02 118.68 130.10 3i3d s LEU 189 Ca 0.13 0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 53.72 3i3d s LEU 189 Cb -0.16 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 3i3d s LEU 189 CO 0.10 -0.03 1.68 -0.09 0.23 0.00 0.00 176.35 178.24 3i3d h ARG 190 N 6.99 0.45 -6.45 1.70 2.43 -1.52 -2.12 114.38 115.88 3i3d h ARG 190 Ca -0.39 -0.07 -0.68 0.00 -0.81 0.00 0.00 59.98 58.04 3i3d h ARG 190 Cb 1.17 -0.08 -0.18 0.00 -0.42 0.00 0.00 29.97 30.46 3i3d h ARG 190 CO 0.74 0.44 -0.75 -1.58 -1.51 0.00 0.00 179.97 177.32 3i3d s TRP 191 N -5.65 2.74 0.32 2.20 0.23 -1.26 -3.92 118.94 113.60 3i3d s TRP 191 Ca -0.13 -0.14 -0.17 0.00 -2.03 0.00 0.00 56.10 53.63 3i3d s TRP 191 Cb 0.09 -1.52 0.03 0.00 0.03 0.00 0.00 33.47 32.10 3i3d s TRP 191 CO 0.73 0.34 0.69 -1.54 0.96 0.00 0.00 176.95 178.13 3i3d s SER 192 N -1.61 -0.05 0.53 2.95 1.04 -1.26 -4.92 113.70 110.38 3i3d s SER 192 Ca 0.17 -0.91 0.36 0.00 0.48 0.00 0.00 55.95 56.04 3i3d s SER 192 Cb -0.11 0.75 1.88 0.00 0.10 0.00 0.00 66.02 68.63 3i3d s SER 192 CO 0.08 -1.44 2.08 -2.24 0.98 0.00 0.00 173.24 172.71 3i3d h ASP 193 N 2.04 0.00 0.85 7.02 3.04 -0.40 0.22 116.42 129.20 3i3d h ASP 193 Ca -0.25 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.46 3i3d h ASP 193 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 3i3d h ASP 193 CO 0.32 0.00 -0.36 1.23 -2.04 0.00 0.00 179.24 178.39 3i3d h GLY 194 N 0.31 0.00 1.50 7.15 0.00 -1.91 -2.83 103.07 107.29 3i3d h GLY 194 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3i3d h GLY 194 CO 0.00 0.00 0.20 1.76 0.00 0.00 0.00 176.54 178.50 3i3d h SER 195 N 0.00 0.11 0.13 0.19 0.02 -0.90 0.29 113.55 113.38 3i3d h SER 195 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i3d h SER 195 Cb 0.89 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 3i3d h SER 195 CO 0.05 0.07 -0.01 1.88 -1.14 0.00 0.00 176.83 177.68 3i3d h TYR 196 N 0.12 0.00 -0.43 3.45 -1.99 -1.62 -0.72 116.97 115.79 3i3d h TYR 196 Ca 0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.86 3i3d h TYR 196 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 3i3d h TYR 196 CO -0.00 0.01 0.00 1.28 -0.00 0.00 0.00 178.16 179.45 3i3d n LEU 197 N -3.22 3.35 -2.63 3.88 4.77 0.08 -4.47 117.00 118.76 3i3d n LEU 197 Ca -0.03 -2.15 -0.21 0.00 -0.03 0.00 0.00 56.01 53.60 3i3d n LEU 197 Cb 0.11 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3i3d n LEU 197 CO 0.22 0.78 0.07 -0.62 -1.33 0.00 0.00 177.39 176.51 3i3d n GLU 198 N 0.64 2.59 -1.30 3.23 1.02 -0.28 -1.28 120.64 125.27 3i3d n GLU 198 Ca 0.16 -4.11 -0.32 0.00 -0.02 0.00 0.00 57.16 52.87 3i3d n GLU 198 Cb 0.55 -1.92 0.07 0.00 -0.02 0.00 0.00 31.44 30.11 3i3d n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3i3d n ASP 199 N -0.28 7.44 -4.77 1.62 2.03 -0.17 -4.98 116.55 117.45 3i3d n ASP 199 Ca 0.28 -3.64 -0.36 0.00 0.52 0.00 0.00 54.79 51.60 3i3d n ASP 199 Cb 0.68 -1.01 0.01 0.00 -0.72 0.00 0.00 41.12 40.08 3i3d n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3i3d s GLN 200 N -3.42 3.25 -1.00 -0.67 1.11 -1.26 -4.57 119.66 113.10 3i3d s GLN 200 Ca 0.57 1.72 -0.23 0.00 0.01 0.00 0.00 55.36 57.43 3i3d s GLN 200 Cb 0.45 -2.02 0.00 0.00 -1.01 0.00 0.00 33.01 30.43 3i3d s GLN 200 CO -0.05 -0.96 1.70 0.34 0.01 0.00 0.00 175.29 176.33 3i3d s ASP 201 N -1.64 5.88 0.17 5.90 2.15 -1.26 -4.83 116.67 123.04 3i3d s ASP 201 Ca 0.74 -1.21 -0.23 0.00 0.43 0.00 0.00 52.55 52.27 3i3d s ASP 201 Cb -0.27 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.85 3i3d s ASP 201 CO 0.30 -2.08 1.00 0.00 -0.17 0.00 0.00 175.17 174.22 3i3d s MET 202 N 5.85 1.27 0.29 4.34 0.23 -1.26 -5.01 119.30 125.01 3i3d s MET 202 Ca 0.58 -0.77 -0.30 0.00 -1.03 0.00 0.00 55.69 54.18 3i3d s MET 202 Cb -0.03 0.39 -0.11 0.00 -1.53 0.00 0.00 34.83 33.56 3i3d s MET 202 CO -0.04 -0.59 1.48 -1.58 -2.03 0.00 0.00 175.02 172.27 3i3d s TRP 203 N -2.69 2.87 -0.38 3.16 0.52 -1.26 -4.27 118.94 116.89 3i3d s TRP 203 Ca 0.17 1.01 -0.16 0.00 0.02 0.00 0.00 56.10 57.14 3i3d s TRP 203 Cb -0.02 -3.91 0.00 0.00 -1.15 0.00 0.00 33.47 28.39 3i3d s TRP 203 CO 0.04 -2.92 0.41 1.03 0.02 0.00 0.00 176.95 175.53 3i3d s ARG 204 N -0.84 3.35 0.00 4.98 1.81 0.10 -4.94 118.95 123.42 3i3d s ARG 204 Ca 0.58 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 54.04 3i3d s ARG 204 Cb -0.44 -3.88 0.00 0.00 -0.45 0.00 0.00 34.95 30.18 3i3d s ARG 204 CO 0.49 -0.69 0.00 -1.33 -0.68 0.00 0.00 175.30 173.09 3i3d n MET 205 N 5.51 1.45 -3.72 3.54 2.81 -1.26 -2.77 117.12 122.68 3i3d n MET 205 Ca -0.08 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.75 3i3d n MET 205 Cb 0.48 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.98 3i3d n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3i3d s SER 206 N -0.95 -0.28 0.00 7.83 1.04 -1.26 -4.81 113.70 115.26 3i3d s SER 206 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3i3d s SER 206 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3i3d s SER 206 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3i3d n GLY 207 N -0.43 0.83 3.48 7.32 0.00 0.47 -2.31 105.19 114.56 3i3d n GLY 207 Ca -0.07 -2.31 -0.44 0.00 0.00 0.00 0.00 46.02 43.21 3i3d n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3d s ILE 208 N -0.92 4.78 -1.53 -0.61 1.01 -1.21 -1.17 121.20 121.54 3i3d s ILE 208 Ca 0.00 -2.20 0.27 0.00 0.00 0.00 0.00 60.65 58.71 3i3d s ILE 208 Cb 0.00 -4.93 0.25 0.00 0.01 0.00 0.00 42.46 37.79 3i3d s ILE 208 CO 0.00 -1.67 1.62 2.22 0.00 0.00 0.00 174.94 177.11 3i3d n PHE 209 N 6.40 0.00 -4.50 3.97 1.16 -1.01 -1.06 117.46 122.41 3i3d n PHE 209 Ca 0.35 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.69 3i3d n PHE 209 Cb 0.45 -0.18 -0.10 0.00 -1.61 0.00 0.00 39.48 38.03 3i3d n PHE 209 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3i3d s ARG 210 N -2.63 1.72 0.77 3.97 0.52 -1.13 -4.40 118.95 117.78 3i3d s ARG 210 Ca 0.22 -1.88 -0.17 0.00 -0.52 0.00 0.00 55.73 53.39 3i3d s ARG 210 Cb 0.19 -1.55 -0.09 0.00 0.52 0.00 0.00 34.95 34.02 3i3d s ARG 210 CO 0.55 0.13 -0.04 -0.25 0.02 0.00 0.00 175.30 175.70 3i3d n ASP 211 N -0.71 -3.35 -4.00 0.23 8.00 -1.26 -4.29 116.55 111.16 3i3d n ASP 211 Ca -0.05 0.46 -0.21 0.00 0.71 0.00 0.00 54.79 55.70 3i3d n ASP 211 Cb 0.63 -0.99 -0.16 0.00 -0.02 0.00 0.00 41.12 40.59 3i3d n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i3d s VAL 212 N -2.01 0.86 0.23 2.53 1.01 -1.26 -1.29 120.40 120.46 3i3d s VAL 212 Ca 0.55 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 3i3d s VAL 212 Cb -0.33 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3i3d s VAL 212 CO 0.68 0.27 0.48 -0.94 0.00 0.00 0.00 175.10 175.59 3i3d s SER 213 N 0.31 -0.12 -0.12 3.32 1.04 -0.22 -0.30 113.70 117.60 3i3d s SER 213 Ca -0.06 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.60 3i3d s SER 213 Cb -0.10 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3i3d s SER 213 CO 0.01 -1.10 -0.20 -0.76 0.98 0.00 0.00 173.24 172.18 3i3d s LEU 214 N -2.97 2.31 -0.10 2.42 1.43 -0.14 0.65 118.68 122.28 3i3d s LEU 214 Ca 0.18 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3i3d s LEU 214 Cb -0.01 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 3i3d s LEU 214 CO 0.05 0.14 -0.21 -0.22 0.23 0.00 0.00 176.35 176.34 3i3d s LEU 215 N 0.49 2.28 -0.22 1.79 2.96 0.14 -1.38 118.68 124.75 3i3d s LEU 215 Ca -0.13 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.26 3i3d s LEU 215 Cb -0.17 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3i3d s LEU 215 CO 0.05 0.19 0.00 -2.28 -1.32 0.00 0.00 176.35 172.99 3i3d s HIS 216 N 0.20 3.02 0.09 5.38 5.65 0.04 -0.75 115.29 128.92 3i3d s HIS 216 Ca -0.13 -0.60 0.09 0.00 0.25 0.00 0.00 55.06 54.67 3i3d s HIS 216 Cb -0.16 -2.12 -0.03 0.00 -1.18 0.00 0.00 32.58 29.08 3i3d s HIS 216 CO 0.07 -0.36 -0.23 0.15 -0.65 0.00 0.00 174.74 173.71 3i3d s LYS 217 N 1.28 1.30 0.91 2.88 -0.14 -0.13 -4.74 119.74 121.11 3i3d s LYS 217 Ca 0.04 -1.17 -0.12 0.00 -1.36 0.00 0.00 55.97 53.36 3i3d s LYS 217 Cb -0.15 -1.60 0.14 0.00 -1.68 0.00 0.00 37.83 34.54 3i3d s LYS 217 CO 0.01 0.38 1.09 -2.14 -0.76 0.00 0.00 175.35 173.93 3i3d s PRO 218 N -1.76 1.16 0.14 -1.68 0.02 -1.26 0.45 135.00 132.07 3i3d s PRO 218 Ca 0.09 0.77 -0.17 0.00 0.02 0.00 0.00 61.00 61.71 3i3d s PRO 218 Cb -0.10 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3i3d s PRO 218 CO 0.04 -2.29 1.75 1.15 -0.33 0.00 0.00 177.00 177.32 3i3d h THR 219 N -1.58 1.13 -3.58 0.99 2.02 -1.94 -3.33 112.91 106.63 3i3d h THR 219 Ca -0.50 -0.33 -0.66 0.00 0.77 0.00 0.00 66.41 65.68 3i3d h THR 219 Cb 1.29 0.70 -0.16 0.00 -1.74 0.00 0.00 68.15 68.24 3i3d h THR 219 CO 0.55 0.14 -0.02 -0.89 0.37 0.00 0.00 175.52 175.67 3i3d s THR 220 N -5.92 4.96 0.17 3.16 2.01 -1.26 -4.16 115.64 114.61 3i3d s THR 220 Ca -0.13 0.07 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 3i3d s THR 220 Cb 0.10 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3i3d s THR 220 CO 0.73 -0.43 0.07 0.00 -0.69 0.00 0.00 174.62 174.30 3i3d s GLN 221 N 2.50 1.10 -0.33 4.92 -2.07 -0.84 -4.91 119.66 120.04 3i3d s GLN 221 Ca 0.19 -1.55 -0.25 0.00 -1.82 0.00 0.00 55.36 51.93 3i3d s GLN 221 Cb -0.15 0.09 0.01 0.00 -1.09 0.00 0.00 33.01 31.86 3i3d s GLN 221 CO 0.16 -0.28 0.86 0.42 -1.32 0.00 0.00 175.29 175.13 3i3d s ILE 222 N -3.97 4.70 -1.24 3.63 1.01 -1.26 -1.89 121.20 122.18 3i3d s ILE 222 Ca 0.30 1.25 0.22 0.00 0.00 0.00 0.00 60.65 62.41 3i3d s ILE 222 Cb 0.07 -4.23 -0.14 0.00 0.01 0.00 0.00 42.46 38.17 3i3d s ILE 222 CO 0.06 -0.36 1.02 -1.54 0.00 0.00 0.00 174.94 174.12 3i3d n SER 223 N 6.44 1.16 -3.64 3.58 3.41 0.12 -4.94 113.62 119.75 3i3d n SER 223 Ca 0.06 -1.02 -0.02 0.00 -0.26 0.00 0.00 58.87 57.62 3i3d n SER 223 Cb 0.48 0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 65.18 3i3d n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i3d s ASP 224 N -2.88 -0.04 -0.28 4.04 2.15 -1.14 -4.90 116.67 113.62 3i3d s ASP 224 Ca 0.11 0.02 -0.20 0.00 0.43 0.00 0.00 52.55 52.91 3i3d s ASP 224 Cb 0.17 0.04 0.09 0.00 -0.30 0.00 0.00 42.92 42.92 3i3d s ASP 224 CO 0.78 -0.05 0.79 0.72 -0.17 0.00 0.00 175.17 177.23 3i3d s PHE 225 N -1.61 -0.82 -0.09 -5.34 -0.12 -1.26 -0.37 117.98 108.37 3i3d s PHE 225 Ca 0.10 1.80 0.05 0.00 -0.05 0.00 0.00 56.93 58.82 3i3d s PHE 225 Cb -0.01 0.44 -0.00 0.00 -0.63 0.00 0.00 43.02 42.82 3i3d s PHE 225 CO -0.05 -0.40 -0.24 -1.01 -0.05 0.00 0.00 175.22 173.46 3i3d s HIS 226 N 0.98 2.52 -0.14 3.49 3.76 0.08 -4.83 115.29 121.15 3i3d s HIS 226 Ca -0.05 -0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 53.88 3i3d s HIS 226 Cb -0.05 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 3i3d s HIS 226 CO -0.10 -0.37 -0.10 0.08 -0.85 0.00 0.00 174.74 173.40 3i3d s VAL 227 N 0.21 3.35 0.12 -0.90 1.01 -1.26 -1.06 120.40 121.86 3i3d s VAL 227 Ca -0.15 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3i3d s VAL 227 Cb -0.17 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3i3d s VAL 227 CO 0.08 0.51 -0.15 0.00 0.00 0.00 0.00 175.10 175.54 3i3d s ALA 228 N 0.38 1.52 -0.10 5.51 0.00 0.33 -4.85 121.76 124.54 3i3d s ALA 228 Ca -0.08 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 3i3d s ALA 228 Cb -0.15 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.90 3i3d s ALA 228 CO 0.05 0.14 0.00 0.95 0.00 0.00 0.00 175.76 176.90 3i3d s THR 229 N -1.94 0.48 0.19 0.00 -4.23 -1.26 -0.63 115.64 108.25 3i3d s THR 229 Ca 0.08 -0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 3i3d s THR 229 Cb -0.06 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 3i3d s THR 229 CO 0.03 0.16 0.06 -0.13 -0.54 0.00 0.00 174.62 174.21 3i3d s ARG 230 N 1.92 2.60 0.21 3.99 0.52 -0.83 -4.82 118.95 122.54 3i3d s ARG 230 Ca 0.04 -1.07 0.02 0.00 -0.52 0.00 0.00 55.73 54.20 3i3d s ARG 230 Cb -0.13 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 3i3d s ARG 230 CO -0.06 0.45 0.03 -0.06 0.02 0.00 0.00 175.30 175.68 3i3d s PHE 231 N -1.85 1.40 0.75 -0.53 0.40 -1.26 -1.68 117.98 115.21 3i3d s PHE 231 Ca 0.30 -1.05 -0.05 0.00 -0.60 0.00 0.00 56.93 55.52 3i3d s PHE 231 Cb -0.09 -0.81 0.12 0.00 0.51 0.00 0.00 43.02 42.75 3i3d s PHE 231 CO 0.21 -0.22 1.05 0.54 0.70 0.00 0.00 175.22 177.50 3i3d s ASN 232 N -3.25 4.28 0.40 1.36 4.22 -1.05 -4.94 114.94 115.97 3i3d s ASN 232 Ca 0.30 0.02 0.14 0.00 -2.14 0.00 0.00 52.86 51.18 3i3d s ASN 232 Cb 0.07 -0.45 0.99 0.00 1.28 0.00 0.00 41.25 43.14 3i3d s ASN 232 CO 0.08 -1.92 1.89 -2.24 -2.04 0.00 0.00 177.10 172.88 3i3d h ASP 233 N -0.74 0.47 -0.50 3.54 3.04 -2.02 -2.25 116.42 117.98 3i3d h ASP 233 Ca -0.41 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 3i3d h ASP 233 Cb 1.28 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3i3d h ASP 233 CO 0.46 0.23 0.00 -0.90 -2.04 0.00 0.00 179.24 176.99 3i3d n ASP 234 N -4.51 3.39 -1.53 4.15 5.75 -1.26 -4.96 116.55 117.59 3i3d n ASP 234 Ca 0.16 -1.97 -0.19 0.00 -0.01 0.00 0.00 54.79 52.78 3i3d n ASP 234 Cb 0.54 -0.33 -0.08 0.00 -1.03 0.00 0.00 41.12 40.23 3i3d n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3i3d n PHE 235 N 1.15 -0.06 0.95 2.11 3.01 -0.85 -4.83 117.46 118.95 3i3d n PHE 235 Ca 0.18 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.77 3i3d n PHE 235 Cb 0.53 -3.29 0.46 0.00 -0.01 0.00 0.00 39.48 37.17 3i3d n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i3d n SER 236 N -1.15 0.25 -4.02 4.37 3.41 -1.26 -4.51 113.62 110.71 3i3d n SER 236 Ca -0.20 0.25 -0.11 0.00 -0.26 0.00 0.00 58.87 58.55 3i3d n SER 236 Cb 0.64 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 3i3d n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3d s ARG 237 N -3.02 0.42 0.05 4.33 0.52 -1.26 0.31 118.95 120.31 3i3d s ARG 237 Ca 0.12 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.51 3i3d s ARG 237 Cb 0.18 -0.06 0.01 0.00 0.52 0.00 0.00 34.95 35.60 3i3d s ARG 237 CO 0.60 -0.01 0.26 0.00 0.02 0.00 0.00 175.30 176.16 3i3d s ALA 238 N -1.55 -0.52 -0.13 2.13 0.00 0.17 -2.52 121.76 119.35 3i3d s ALA 238 Ca -0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 3i3d s ALA 238 Cb -0.09 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.41 3i3d s ALA 238 CO -0.01 -0.43 -0.09 0.08 0.00 0.00 0.00 175.76 175.32 3i3d s VAL 239 N -2.85 1.20 -0.19 0.00 1.01 -0.68 0.01 120.40 118.91 3i3d s VAL 239 Ca -0.03 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 3i3d s VAL 239 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3i3d s VAL 239 CO -0.05 0.35 0.42 -0.22 0.00 0.00 0.00 175.10 175.60 3i3d s LEU 240 N 1.63 4.17 -0.19 3.92 0.20 0.13 -1.96 118.68 126.58 3i3d s LEU 240 Ca 0.04 0.57 -0.01 0.00 0.69 0.00 0.00 54.13 55.43 3i3d s LEU 240 Cb -0.13 -2.56 0.01 0.00 -0.43 0.00 0.00 46.19 43.07 3i3d s LEU 240 CO -0.09 -0.08 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.05 3i3d s GLU 241 N 1.27 3.16 -0.18 1.98 2.12 0.19 -0.26 118.70 126.99 3i3d s GLU 241 Ca 0.21 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.80 3i3d s GLU 241 Cb -0.15 -2.73 0.03 0.00 0.26 0.00 0.00 34.13 31.54 3i3d s GLU 241 CO 0.08 -0.17 -0.17 0.00 -0.54 0.00 0.00 175.26 174.47 3i3d s ALA 242 N 1.27 2.18 -0.20 6.30 0.00 0.22 -0.52 121.76 131.01 3i3d s ALA 242 Ca 0.03 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 3i3d s ALA 242 Cb -0.14 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 3i3d s ALA 242 CO -0.07 -0.46 0.23 -2.00 0.00 0.00 0.00 175.76 173.46 3i3d s GLU 243 N 1.35 4.16 -0.03 0.00 2.12 -0.22 -0.44 118.70 125.63 3i3d s GLU 243 Ca 0.04 -0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.35 3i3d s GLU 243 Cb -0.14 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3i3d s GLU 243 CO -0.11 0.14 -0.25 0.08 -0.54 0.00 0.00 175.26 174.58 3i3d s VAL 244 N 0.79 1.95 0.01 3.70 1.01 -0.13 -0.74 120.40 126.99 3i3d s VAL 244 Ca 0.12 -1.05 0.09 0.00 0.00 0.00 0.00 61.98 61.14 3i3d s VAL 244 Cb -0.13 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3i3d s VAL 244 CO 0.03 0.55 -0.26 -1.58 0.00 0.00 0.00 175.10 173.84 3i3d s GLN 245 N -0.50 1.98 0.20 2.72 0.74 0.50 -2.02 119.66 123.29 3i3d s GLN 245 Ca 0.07 -1.00 0.07 0.00 0.05 0.00 0.00 55.36 54.55 3i3d s GLN 245 Cb -0.10 -2.01 -0.05 0.00 1.10 0.00 0.00 33.01 31.95 3i3d s GLN 245 CO -0.00 0.54 -0.13 0.00 -0.55 0.00 0.00 175.29 175.15 3i3d s MET 246 N -0.86 1.30 0.11 1.67 0.23 -0.76 0.13 119.30 121.11 3i3d s MET 246 Ca 0.11 -1.58 0.07 0.00 -1.03 0.00 0.00 55.69 53.26 3i3d s MET 246 Cb -0.10 -1.04 -0.04 0.00 -1.53 0.00 0.00 34.83 32.13 3i3d s MET 246 CO 0.00 0.16 -0.18 0.00 -2.03 0.00 0.00 175.02 172.97 3i3d n GLY 248 N 0.91 -0.06 3.72 0.00 0.00 -1.26 -1.98 105.19 106.52 3i3d n GLY 248 Ca -0.18 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.14 3i3d n GLY 248 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3d s GLU 249 N -0.60 4.36 0.17 1.61 0.41 -1.26 -4.99 118.70 118.39 3i3d s GLU 249 Ca 0.00 2.02 -0.30 0.00 -0.41 0.00 0.00 54.97 56.28 3i3d s GLU 249 Cb 0.00 -3.25 -0.07 0.00 -1.78 0.00 0.00 34.13 29.03 3i3d s GLU 249 CO 0.00 -0.36 1.04 -0.51 -0.49 0.00 0.00 175.26 174.94 3i3d s LEU 250 N 0.78 4.52 -0.01 1.80 1.43 -1.26 -5.04 118.68 120.91 3i3d s LEU 250 Ca 0.62 1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 55.68 3i3d s LEU 250 Cb -0.36 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.26 3i3d s LEU 250 CO 0.32 -0.12 0.06 -0.13 0.23 0.00 0.00 176.35 176.71 3i3d s ARG 251 N -0.42 0.24 0.53 1.70 1.81 -1.26 -5.03 118.95 116.51 3i3d s ARG 251 Ca 0.47 -0.21 0.35 0.00 -1.72 0.00 0.00 55.73 54.62 3i3d s ARG 251 Cb -0.27 0.10 1.66 0.00 -0.45 0.00 0.00 34.95 35.99 3i3d s ARG 251 CO 0.33 -0.04 2.05 -0.44 -0.68 0.00 0.00 175.30 176.51 3i3d h ASP 252 N 5.26 0.00 0.73 0.23 3.32 -1.98 -2.45 116.42 121.52 3i3d h ASP 252 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3i3d h ASP 252 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3i3d h ASP 252 CO 0.44 0.00 -0.47 0.00 -1.72 0.00 0.00 179.24 177.48 3i3d n TYR 253 N -2.87 0.24 -2.26 4.55 0.18 -1.26 -4.90 117.16 110.84 3i3d n TYR 253 Ca -0.01 0.07 -0.39 0.00 1.88 0.00 0.00 57.90 59.46 3i3d n TYR 253 Cb 0.18 -0.46 -0.02 0.00 -0.38 0.00 0.00 39.34 38.67 3i3d n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3i3d s LEU 254 N -3.52 4.23 0.09 -3.48 1.43 -0.93 0.23 118.68 116.73 3i3d s LEU 254 Ca 0.10 2.41 -0.06 0.00 -1.03 0.00 0.00 54.13 55.54 3i3d s LEU 254 Cb 0.16 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.40 3i3d s LEU 254 CO 0.68 -0.67 0.14 -0.13 0.23 0.00 0.00 176.35 176.61 3i3d s ARG 255 N -2.22 0.83 -0.04 1.70 1.81 0.16 -3.97 118.95 117.22 3i3d s ARG 255 Ca 0.56 -1.07 0.02 0.00 -1.72 0.00 0.00 55.73 53.52 3i3d s ARG 255 Cb -0.32 0.31 0.01 0.00 -0.45 0.00 0.00 34.95 34.50 3i3d s ARG 255 CO 0.41 -0.25 -0.08 0.08 -0.68 0.00 0.00 175.30 174.79 3i3d s VAL 256 N -3.90 0.73 -0.09 3.52 1.01 -0.68 -1.11 120.40 119.88 3i3d s VAL 256 Ca 0.08 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3i3d s VAL 256 Cb 0.06 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3i3d s VAL 256 CO -0.09 0.25 -0.19 -0.89 0.00 0.00 0.00 175.10 174.18 3i3d s THR 257 N 0.55 1.71 -0.20 3.92 2.01 0.10 -1.94 115.64 121.79 3i3d s THR 257 Ca -0.09 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 3i3d s THR 257 Cb -0.12 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 70.90 3i3d s THR 257 CO 0.01 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.59 3i3d s VAL 258 N 0.49 2.43 0.03 3.82 1.01 -0.23 -0.01 120.40 127.94 3i3d s VAL 258 Ca -0.17 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 60.97 3i3d s VAL 258 Cb -0.17 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3i3d s VAL 258 CO 0.06 0.42 -0.24 -0.94 0.00 0.00 0.00 175.10 174.41 3i3d s SER 259 N 1.32 3.29 -0.14 3.32 1.04 -0.85 -1.09 113.70 120.58 3i3d s SER 259 Ca 0.03 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 3i3d s SER 259 Cb -0.14 -0.38 -0.02 0.00 0.10 0.00 0.00 66.02 65.58 3i3d s SER 259 CO -0.09 0.28 -0.10 -0.22 0.98 0.00 0.00 173.24 174.08 3i3d s LEU 260 N -1.11 2.85 0.04 2.42 2.96 -0.03 -1.01 118.68 124.80 3i3d s LEU 260 Ca 0.12 -0.29 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 3i3d s LEU 260 Cb -0.10 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3i3d s LEU 260 CO 0.02 0.15 -0.25 0.26 -1.32 0.00 0.00 176.35 175.21 3i3d s TRP 261 N 0.46 2.17 -0.45 5.38 0.52 0.54 -0.39 118.94 127.17 3i3d s TRP 261 Ca -0.08 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.68 3i3d s TRP 261 Cb -0.15 -1.31 0.12 0.00 -1.15 0.00 0.00 33.47 30.98 3i3d s TRP 261 CO 0.04 0.10 0.17 -1.14 0.02 0.00 0.00 176.95 176.15 3i3d s GLN 262 N -1.17 1.77 6.97 4.98 2.00 -0.16 -0.53 119.66 133.53 3i3d s GLN 262 Ca 0.10 -2.32 0.00 0.00 -2.00 0.00 0.00 55.36 51.15 3i3d s GLN 262 Cb -0.10 -3.27 0.00 0.00 0.80 0.00 0.00 33.01 30.45 3i3d s GLN 262 CO 0.02 -1.04 0.00 0.41 -0.50 0.00 0.00 175.29 174.18 3i3d n GLY 263 N 3.57 1.52 1.26 2.59 0.00 -1.26 -2.36 105.19 110.51 3i3d n GLY 263 Ca 0.05 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.65 3i3d n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i3d n GLU 264 N 12.34 3.31 -3.72 1.61 1.02 -1.26 -4.91 120.64 129.04 3i3d n GLU 264 Ca 0.00 -2.67 -0.37 0.00 -0.02 0.00 0.00 57.16 54.10 3i3d n GLU 264 Cb 0.00 -1.71 -0.12 0.00 -0.02 0.00 0.00 31.44 29.59 3i3d n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3d s THR 265 N -1.67 4.59 -0.13 2.62 2.01 -0.99 -5.06 115.64 117.00 3i3d s THR 265 Ca 0.44 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.07 3i3d s THR 265 Cb 0.28 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 3i3d s THR 265 CO 0.22 0.32 1.08 -1.58 -0.69 0.00 0.00 174.62 173.97 3i3d s GLN 266 N 1.60 4.35 -0.13 4.92 0.74 -1.26 -0.99 119.66 128.89 3i3d s GLN 266 Ca 0.06 1.46 0.10 0.00 0.05 0.00 0.00 55.36 57.04 3i3d s GLN 266 Cb -0.15 -3.59 -0.23 0.00 1.10 0.00 0.00 33.01 30.13 3i3d s GLN 266 CO 0.05 -0.46 0.32 1.33 -0.55 0.00 0.00 175.29 175.99 3i3d n VAL 267 N 4.83 1.55 -3.73 1.34 0.24 0.47 -4.96 118.33 118.08 3i3d n VAL 267 Ca 0.10 -0.77 -0.10 0.00 -2.04 0.00 0.00 64.34 61.54 3i3d n VAL 267 Cb 0.47 -0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 31.81 3i3d n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i3d s ALA 268 N -2.55 -0.97 -0.19 2.33 0.00 -1.15 -5.01 121.76 114.21 3i3d s ALA 268 Ca -0.12 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 3i3d s ALA 268 Cb 0.07 0.86 0.11 0.00 0.00 0.00 0.00 23.12 24.16 3i3d s ALA 268 CO 0.79 -0.81 0.92 0.45 0.00 0.00 0.00 175.76 177.11 3i3d s SER 269 N -2.87 -0.49 -0.05 0.00 0.15 -1.26 -0.85 113.70 108.33 3i3d s SER 269 Ca 0.09 0.74 -0.04 0.00 0.70 0.00 0.00 55.95 57.43 3i3d s SER 269 Cb -0.01 0.67 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 3i3d s SER 269 CO -0.03 -0.31 0.13 -0.83 1.20 0.00 0.00 173.24 173.40 3i3d s GLY 270 N -0.50 -0.09 -0.00 9.45 0.00 -0.25 -4.98 107.32 110.94 3i3d s GLY 270 Ca -0.02 0.36 0.05 0.00 0.00 0.00 0.00 44.72 45.11 3i3d s GLY 270 CO 0.00 0.31 -0.15 -1.59 0.00 0.00 0.00 173.10 171.68 3i3d s THR 271 N 0.07 1.17 0.00 0.90 2.01 -1.26 -1.07 115.64 117.46 3i3d s THR 271 Ca -0.00 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.02 3i3d s THR 271 Cb -0.01 -0.99 0.08 0.00 0.01 0.00 0.00 72.50 71.59 3i3d s THR 271 CO 0.00 0.28 0.71 0.00 -0.69 0.00 0.00 174.62 174.92 3i3d s ALA 272 N -0.43 -1.75 0.68 7.40 0.00 -0.82 -4.99 121.76 121.86 3i3d s ALA 272 Ca 0.05 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 3i3d s ALA 272 Cb -0.06 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.28 3i3d s ALA 272 CO -0.00 -0.51 1.06 -1.25 0.00 0.00 0.00 175.76 175.06 3i3d s PRO 273 N -2.09 2.91 0.71 0.00 0.04 -1.26 -1.69 135.00 133.62 3i3d s PRO 273 Ca -0.05 0.39 -0.12 0.00 0.04 0.00 0.00 61.00 61.26 3i3d s PRO 273 Cb -0.00 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.49 3i3d s PRO 273 CO 0.01 -0.95 1.08 -0.06 0.04 0.00 0.00 177.00 177.11 3i3d s PHE 274 N -3.28 2.84 0.00 0.56 0.40 -1.26 -4.84 117.98 112.40 3i3d s PHE 274 Ca 0.57 1.50 0.00 0.00 -0.60 0.00 0.00 56.93 58.40 3i3d s PHE 274 Cb -0.11 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.43 3i3d s PHE 274 CO 0.51 -1.49 0.00 0.41 0.70 0.00 0.00 175.22 175.35 3i3d n GLY 275 N -1.40 2.09 3.85 4.36 0.00 0.66 -4.98 105.19 109.76 3i3d n GLY 275 Ca 0.09 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 3i3d n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i3d s GLY 276 N 0.00 1.65 0.74 -0.02 0.00 0.52 -4.82 107.32 105.38 3i3d s GLY 276 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 3i3d s GLY 276 CO 0.00 -0.18 1.08 -1.83 0.00 0.00 0.00 173.10 172.17 3i3d s GLU 277 N -5.58 2.52 0.35 2.90 1.03 -1.26 -4.54 118.70 114.13 3i3d s GLU 277 Ca 0.67 1.11 -0.29 0.00 0.03 0.00 0.00 54.97 56.49 3i3d s GLU 277 Cb -0.10 -1.93 -0.11 0.00 -0.80 0.00 0.00 34.13 31.19 3i3d s GLU 277 CO 0.52 -1.43 1.48 0.42 -1.33 0.00 0.00 175.26 174.92 3i3d s ILE 278 N -2.92 2.16 0.00 1.83 1.01 -1.26 -4.41 121.20 117.60 3i3d s ILE 278 Ca 0.60 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3i3d s ILE 278 Cb -0.16 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.21 3i3d s ILE 278 CO 0.55 0.03 0.00 2.30 0.00 0.00 0.00 174.94 177.82 3i3d n ILE 279 N 0.87 0.00 -3.52 2.92 -5.35 -0.62 -4.92 119.36 108.75 3i3d n ILE 279 Ca 0.02 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.49 3i3d n ILE 279 Cb 0.39 -0.86 -0.00 0.00 -1.74 0.00 0.00 39.64 37.43 3i3d n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3i3d n ASP 280 N -1.90 -0.12 0.34 7.28 5.68 -1.05 -5.03 116.55 121.73 3i3d n ASP 280 Ca 0.00 -1.15 0.21 0.00 -0.50 0.00 0.00 54.79 53.35 3i3d n ASP 280 Cb 0.45 0.23 1.13 0.00 -1.14 0.00 0.00 41.12 41.78 3i3d n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i3d h GLU 281 N 0.00 0.00 -0.35 0.11 3.07 -2.05 -1.95 114.58 113.42 3i3d h GLU 281 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3i3d h GLU 281 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3i3d h GLU 281 CO 0.03 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.18 3i3d n ARG 282 N -3.08 2.37 0.00 2.33 5.12 -1.26 -5.07 116.66 117.07 3i3d n ARG 282 Ca -0.03 -2.07 0.00 0.00 -1.93 0.00 0.00 57.85 53.82 3i3d n ARG 282 Cb 0.14 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 3i3d n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i3d n GLY 283 N 1.44 0.35 0.00 -0.13 0.00 -0.73 -5.06 105.19 101.05 3i3d n GLY 283 Ca 0.19 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3i3d n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 284 N 0.00 4.81 3.54 -0.02 0.00 -1.26 -1.58 105.19 110.68 3i3d n GLY 284 Ca 0.00 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3i3d n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i3d s TYR 285 N -1.27 3.01 0.10 1.61 1.51 -1.26 -4.89 117.35 116.15 3i3d s TYR 285 Ca 0.00 0.17 0.17 0.00 -1.01 0.00 0.00 57.07 56.41 3i3d s TYR 285 Cb 0.00 -3.60 0.51 0.00 -0.11 0.00 0.00 41.96 38.76 3i3d s TYR 285 CO 0.00 -0.95 1.65 0.00 -1.11 0.00 0.00 175.55 175.14 3i3d h ALA 286 N 8.92 0.90 -0.34 3.71 0.00 -1.94 0.15 119.26 130.66 3i3d h ALA 286 Ca -0.25 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3i3d h ALA 286 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i3d h ALA 286 CO 0.95 0.53 0.00 -0.40 0.00 0.00 0.00 179.25 180.33 3i3d n ASP 287 N -3.46 3.70 -4.09 0.00 5.75 -1.26 -3.25 116.55 113.94 3i3d n ASP 287 Ca 0.00 -2.52 -0.10 0.00 -0.01 0.00 0.00 54.79 52.16 3i3d n ASP 287 Cb 0.58 -0.59 -0.11 0.00 -1.03 0.00 0.00 41.12 39.97 3i3d n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i3d s ARG 288 N -2.00 0.62 -0.15 0.11 0.52 -1.15 -1.83 118.95 115.07 3i3d s ARG 288 Ca 0.32 -1.03 -0.14 0.00 -0.52 0.00 0.00 55.73 54.36 3i3d s ARG 288 Cb 0.24 -0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.64 3i3d s ARG 288 CO 0.10 -0.02 0.40 0.54 0.02 0.00 0.00 175.30 176.34 3i3d s VAL 289 N -2.69 0.00 -0.16 3.52 0.11 -0.86 -0.25 120.40 120.09 3i3d s VAL 289 Ca 0.00 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i3d s VAL 289 Cb -0.01 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.28 3i3d s VAL 289 CO -0.04 -0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.69 3i3d s THR 290 N 0.19 2.71 -0.09 5.04 2.01 -1.26 -0.96 115.64 123.27 3i3d s THR 290 Ca -0.00 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 3i3d s THR 290 Cb -0.03 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 3i3d s THR 290 CO 0.01 0.51 0.11 -0.76 -0.69 0.00 0.00 174.62 173.79 3i3d s LEU 291 N 0.82 4.15 -0.16 4.42 2.01 0.41 -4.94 118.68 125.39 3i3d s LEU 291 Ca -0.05 0.35 -0.01 0.00 0.01 0.00 0.00 54.13 54.44 3i3d s LEU 291 Cb -0.15 -2.07 0.04 0.00 0.01 0.00 0.00 46.19 44.01 3i3d s LEU 291 CO -0.00 0.38 -0.05 -0.13 1.01 0.00 0.00 176.35 177.56 3i3d s ARG 292 N -1.13 1.40 -0.09 1.70 0.52 -1.26 -0.61 118.95 119.47 3i3d s ARG 292 Ca 0.16 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 3i3d s ARG 292 Cb -0.12 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 3i3d s ARG 292 CO 0.06 -0.43 -0.13 -0.51 0.02 0.00 0.00 175.30 174.31 3i3d s LEU 293 N 1.65 2.79 0.05 2.53 1.43 0.65 -4.92 118.68 122.85 3i3d s LEU 293 Ca 0.01 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 3i3d s LEU 293 Cb -0.15 -1.60 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 3i3d s LEU 293 CO -0.08 0.26 0.59 0.20 0.23 0.00 0.00 176.35 177.55 3i3d s ASN 294 N -0.21 7.04 -0.18 2.29 0.01 -1.26 0.23 114.94 122.86 3i3d s ASN 294 Ca 0.01 1.24 -0.02 0.00 -0.71 0.00 0.00 52.86 53.37 3i3d s ASN 294 Cb -0.13 -2.37 0.05 0.00 0.41 0.00 0.00 41.25 39.22 3i3d s ASN 294 CO 0.03 0.21 0.01 -0.69 -1.51 0.00 0.00 177.10 175.14 3i3d s VAL 295 N -0.75 0.72 0.17 1.60 1.01 0.10 -4.86 120.40 118.40 3i3d s VAL 295 Ca 0.30 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 3i3d s VAL 295 Cb -0.19 -1.10 -0.08 0.00 0.00 0.00 0.00 36.38 35.01 3i3d s VAL 295 CO 0.19 -0.08 0.73 -1.61 0.00 0.00 0.00 175.10 174.33 3i3d s GLU 296 N 1.78 4.42 -1.37 2.72 0.41 -1.26 -0.65 118.70 124.74 3i3d s GLU 296 Ca -0.00 1.01 -0.09 0.00 -0.41 0.00 0.00 54.97 55.47 3i3d s GLU 296 Cb -0.16 -3.12 0.01 0.00 -1.78 0.00 0.00 34.13 29.07 3i3d s GLU 296 CO -0.07 0.52 0.40 0.09 -0.49 0.00 0.00 175.26 175.71 3i3d n ASN 297 N 1.30 -1.36 -4.76 -0.19 4.13 0.15 -4.86 115.26 109.67 3i3d n ASN 297 Ca -0.05 -1.14 -0.39 0.00 1.68 0.00 0.00 54.58 54.68 3i3d n ASN 297 Cb 0.50 -2.45 0.03 0.00 -1.54 0.00 0.00 39.78 36.31 3i3d n ASN 297 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i3d s PRO 298 N -6.86 3.49 -0.32 3.52 0.04 -1.26 -4.93 135.00 128.69 3i3d s PRO 298 Ca 0.16 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 3i3d s PRO 298 Cb -0.07 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.97 3i3d s PRO 298 CO 0.93 -0.95 0.98 0.15 0.04 0.00 0.00 177.00 178.16 3i3d s LYS 299 N -2.61 4.02 0.30 4.56 1.02 -1.26 -5.00 119.74 120.77 3i3d s LYS 299 Ca 0.65 0.91 -0.27 0.00 0.02 0.00 0.00 55.97 57.27 3i3d s LYS 299 Cb -0.42 -3.74 -0.09 0.00 -0.52 0.00 0.00 37.83 33.05 3i3d s LYS 299 CO 0.53 -0.83 0.97 -0.51 -0.92 0.00 0.00 175.35 174.58 3i3d s LEU 300 N 3.43 4.44 0.02 3.17 1.43 -1.26 -4.45 118.68 125.45 3i3d s LEU 300 Ca 0.41 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 55.29 3i3d s LEU 300 Cb -0.13 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 3i3d s LEU 300 CO 0.14 -0.04 0.45 0.86 0.23 0.00 0.00 176.35 177.99 3i3d s TRP 301 N -1.43 3.75 0.31 0.29 -0.00 -0.14 -3.99 118.94 117.72 3i3d s TRP 301 Ca 0.47 1.06 -0.19 0.00 -0.00 0.00 0.00 56.10 57.45 3i3d s TRP 301 Cb -0.23 -2.34 0.03 0.00 -0.00 0.00 0.00 33.47 30.93 3i3d s TRP 301 CO 0.29 0.63 0.72 -1.54 -0.00 0.00 0.00 176.95 177.05 3i3d s SER 302 N -1.07 -0.15 0.50 5.86 1.04 -0.87 -4.67 113.70 114.34 3i3d s SER 302 Ca 0.25 -0.80 0.29 0.00 0.48 0.00 0.00 55.95 56.17 3i3d s SER 302 Cb -0.17 0.76 1.01 0.00 0.10 0.00 0.00 66.02 67.72 3i3d s SER 302 CO 0.15 -1.43 1.85 0.00 0.98 0.00 0.00 173.24 174.79 3i3d h ALA 303 N 2.02 0.99 -0.00 5.32 0.00 -1.90 -2.39 119.26 123.29 3i3d h ALA 303 Ca -0.23 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3i3d h ALA 303 Cb 1.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3i3d h ALA 303 CO 0.29 0.06 -0.47 0.93 0.00 0.00 0.00 179.25 180.06 3i3d h GLU 304 N 0.00 0.33 -2.77 0.00 5.08 -1.94 -3.42 114.58 111.86 3i3d h GLU 304 Ca -0.00 -0.35 -0.58 0.00 -1.00 0.00 0.00 59.36 57.44 3i3d h GLU 304 Cb 0.69 0.10 -0.39 0.00 0.50 0.00 0.00 28.75 29.64 3i3d h GLU 304 CO 0.01 1.03 -0.81 0.42 -1.00 0.00 0.00 179.01 178.66 3i3d s ILE 305 N -3.19 0.38 -0.91 3.13 1.01 -1.17 -4.99 121.20 115.46 3i3d s ILE 305 Ca -0.14 -1.65 -0.07 0.00 0.00 0.00 0.00 60.65 58.79 3i3d s ILE 305 Cb 0.03 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 41.15 3i3d s ILE 305 CO 0.79 -0.90 2.09 -0.81 0.00 0.00 0.00 174.94 176.12 3i3d n PRO 306 N 4.25 2.04 -1.71 2.79 -0.04 -0.91 -2.04 135.00 139.38 3i3d n PRO 306 Ca 0.07 -1.50 -0.42 0.00 -0.04 0.00 0.00 63.50 61.61 3i3d n PRO 306 Cb 0.38 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 3i3d n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i3d s ASN 307 N 3.54 6.40 0.04 3.54 0.01 -1.26 -4.88 114.94 122.34 3i3d s ASN 307 Ca 0.41 2.81 0.05 0.00 -0.71 0.00 0.00 52.86 55.42 3i3d s ASN 307 Cb 0.11 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 3i3d s ASN 307 CO -0.02 -1.00 -0.15 -0.76 -1.51 0.00 0.00 177.10 173.67 3i3d s LEU 308 N 2.13 2.18 0.39 0.60 1.43 -1.26 -4.17 118.68 119.97 3i3d s LEU 308 Ca 0.79 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 3i3d s LEU 308 Cb -0.48 -0.63 -0.06 0.00 0.03 0.00 0.00 46.19 45.05 3i3d s LEU 308 CO 0.35 0.04 0.06 -0.31 0.23 0.00 0.00 176.35 176.71 3i3d s TYR 309 N -0.87 2.55 -0.15 0.29 1.51 0.44 -4.80 117.35 116.31 3i3d s TYR 309 Ca 0.02 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 3i3d s TYR 309 Cb -0.08 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 3i3d s TYR 309 CO 0.01 0.38 -0.20 0.50 -1.11 0.00 0.00 175.55 175.13 3i3d s ARG 310 N -3.77 3.05 -0.20 -0.62 6.06 0.32 0.11 118.95 123.89 3i3d s ARG 310 Ca 0.37 -0.83 -0.07 0.00 -2.50 0.00 0.00 55.73 52.70 3i3d s ARG 310 Cb 0.05 -2.50 -0.04 0.00 0.06 0.00 0.00 34.95 32.52 3i3d s ARG 310 CO 0.20 -0.06 0.06 0.00 -2.50 0.00 0.00 175.30 172.99 3i3d s ALA 311 N 0.95 3.31 -0.22 6.12 0.00 -0.70 -0.34 121.76 130.88 3i3d s ALA 311 Ca -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3i3d s ALA 311 Cb -0.15 -1.94 -0.00 0.00 0.00 0.00 0.00 23.12 21.03 3i3d s ALA 311 CO -0.04 -0.00 -0.06 0.08 0.00 0.00 0.00 175.76 175.73 3i3d s VAL 312 N 0.72 3.18 -0.42 0.00 1.01 -0.18 -2.20 120.40 122.52 3i3d s VAL 312 Ca 0.03 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 3i3d s VAL 312 Cb -0.13 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.82 3i3d s VAL 312 CO 0.02 0.42 0.31 -0.69 0.00 0.00 0.00 175.10 175.16 3i3d s VAL 313 N 1.45 5.22 -0.23 2.92 1.01 0.64 -2.01 120.40 129.40 3i3d s VAL 313 Ca 0.05 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 3i3d s VAL 313 Cb -0.14 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3i3d s VAL 313 CO -0.05 -0.36 0.08 -1.61 0.00 0.00 0.00 175.10 173.17 3i3d s GLU 314 N 1.67 3.77 -0.27 2.72 2.02 0.99 -1.51 118.70 128.09 3i3d s GLU 314 Ca 0.05 -0.43 -0.12 0.00 0.02 0.00 0.00 54.97 54.49 3i3d s GLU 314 Cb -0.20 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 3i3d s GLU 314 CO 0.09 -0.06 0.26 -1.17 0.02 0.00 0.00 175.26 174.40 3i3d s LEU 315 N 1.28 4.04 0.34 1.80 2.96 -0.39 -0.72 118.68 127.99 3i3d s LEU 315 Ca 0.05 0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.96 3i3d s LEU 315 Cb -0.15 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.33 3i3d s LEU 315 CO 0.04 -0.09 0.64 -1.38 -1.32 0.00 0.00 176.35 174.25 3i3d s HIS 316 N 1.79 0.41 0.46 5.38 -3.43 -0.27 -0.92 115.29 118.70 3i3d s HIS 316 Ca 0.10 -0.88 -0.05 0.00 -0.80 0.00 0.00 55.06 53.43 3i3d s HIS 316 Cb -0.16 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.41 3i3d s HIS 316 CO 0.10 -1.32 0.76 0.95 -2.00 0.00 0.00 174.74 173.22 3i3d s THR 317 N -2.95 4.92 0.52 -5.38 -4.23 -0.44 0.40 115.64 108.47 3i3d s THR 317 Ca 0.20 0.16 0.19 0.00 -1.18 0.00 0.00 61.69 61.06 3i3d s THR 317 Cb -0.03 -3.85 0.31 0.00 1.34 0.00 0.00 72.50 70.27 3i3d s THR 317 CO 0.13 -0.79 2.09 0.00 -0.54 0.00 0.00 174.62 175.52 3i3d h ALA 318 N 0.38 2.15 0.00 3.99 0.00 -0.53 -0.82 119.26 124.42 3i3d h ALA 318 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3i3d h ALA 318 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i3d h ALA 318 CO 0.62 -0.20 -0.14 -0.44 0.00 0.00 0.00 179.25 179.09 3i3d h ASP 319 N 0.04 0.00 0.00 0.00 3.32 -1.93 -3.47 116.42 114.38 3i3d h ASP 319 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3i3d h ASP 319 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3i3d h ASP 319 CO -0.01 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 3i3d n GLY 320 N 0.11 1.45 3.66 2.75 0.00 -0.31 -5.09 105.19 107.75 3i3d n GLY 320 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3i3d n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3d s THR 321 N -2.00 5.02 0.18 2.61 2.01 -1.26 -4.87 115.64 117.34 3i3d s THR 321 Ca 0.00 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.87 3i3d s THR 321 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 3i3d s THR 321 CO 0.00 0.11 1.06 -0.22 -0.69 0.00 0.00 174.62 174.87 3i3d s LEU 322 N 1.94 4.51 -0.24 4.42 2.96 -1.26 -1.33 118.68 129.68 3i3d s LEU 322 Ca 0.28 2.04 -0.06 0.00 -0.22 0.00 0.00 54.13 56.17 3i3d s LEU 322 Cb -0.16 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.80 3i3d s LEU 322 CO 0.10 -0.14 -0.27 -0.38 -1.32 0.00 0.00 176.35 174.34 3i3d n ILE 323 N 2.25 1.35 -3.60 6.68 5.41 -0.10 -4.97 119.36 126.38 3i3d n ILE 323 Ca 0.02 -0.43 -0.04 0.00 1.00 0.00 0.00 62.75 63.31 3i3d n ILE 323 Cb 0.47 -1.59 -0.02 0.00 -0.71 0.00 0.00 39.64 37.79 3i3d n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3i3d s GLU 324 N -2.46 0.42 -0.04 0.38 -1.05 -1.11 -4.88 118.70 109.96 3i3d s GLU 324 Ca -0.33 -0.18 -0.03 0.00 -0.15 0.00 0.00 54.97 54.28 3i3d s GLU 324 Cb 0.11 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 3i3d s GLU 324 CO 0.49 -0.19 0.10 0.00 0.95 0.00 0.00 175.26 176.61 3i3d s ALA 325 N -2.53 -0.23 0.36 -0.84 0.00 -0.36 -1.26 121.76 116.89 3i3d s ALA 325 Ca 0.10 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.46 3i3d s ALA 325 Cb 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 3i3d s ALA 325 CO -0.05 -0.06 -0.05 -1.21 0.00 0.00 0.00 175.76 174.40 3i3d s GLU 326 N 0.21 1.84 0.25 0.00 0.41 -0.57 -1.67 118.70 119.17 3i3d s GLU 326 Ca -0.01 -1.99 -0.22 0.00 -0.41 0.00 0.00 54.97 52.34 3i3d s GLU 326 Cb -0.02 -1.60 0.03 0.00 -1.78 0.00 0.00 34.13 30.75 3i3d s GLU 326 CO -0.01 0.05 0.77 0.00 -0.49 0.00 0.00 175.26 175.58 3i3d s ALA 327 N -2.71 -1.32 0.13 5.21 0.00 -1.26 -0.26 121.76 121.56 3i3d s ALA 327 Ca 0.33 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 3i3d s ALA 327 Cb 0.06 0.81 0.07 0.00 0.00 0.00 0.00 23.12 24.06 3i3d s ALA 327 CO 0.17 -1.04 0.69 0.00 0.00 0.00 0.00 175.76 175.58 3i3d s ASP 329 N -2.71 7.35 -0.10 0.00 1.01 -1.26 -1.71 116.67 119.24 3i3d s ASP 329 Ca 0.03 1.63 0.03 0.00 0.71 0.00 0.00 52.55 54.95 3i3d s ASP 329 Cb -0.01 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3i3d s ASP 329 CO -0.10 0.18 -0.21 -0.69 0.21 0.00 0.00 175.17 174.56 3i3d s VAL 330 N -1.22 2.38 -0.24 -1.27 1.01 0.12 -4.71 120.40 116.47 3i3d s VAL 330 Ca 0.37 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3i3d s VAL 330 Cb -0.22 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.27 3i3d s VAL 330 CO 0.26 0.55 -0.11 -0.83 0.00 0.00 0.00 175.10 174.97 3i3d s GLY 331 N 0.23 1.59 -0.50 4.51 0.00 -1.26 -0.42 107.32 111.47 3i3d s GLY 331 Ca -0.14 -1.56 -0.28 0.00 0.00 0.00 0.00 44.72 42.75 3i3d s GLY 331 CO 0.07 0.51 1.45 -1.36 0.00 0.00 0.00 173.10 173.77 3i3d s PHE 332 N 1.22 2.28 -0.04 1.90 0.40 -1.26 -4.81 117.98 117.66 3i3d s PHE 332 Ca -0.03 0.56 -0.29 0.00 -0.60 0.00 0.00 56.93 56.57 3i3d s PHE 332 Cb -0.17 -4.34 0.07 0.00 0.51 0.00 0.00 43.02 39.08 3i3d s PHE 332 CO -0.07 -2.03 0.64 -0.98 0.70 0.00 0.00 175.22 173.49 3i3d s ARG 333 N 5.39 1.03 -0.10 0.44 3.03 -1.26 -0.97 118.95 126.51 3i3d s ARG 333 Ca 0.57 0.19 0.03 0.00 2.03 0.00 0.00 55.73 58.55 3i3d s ARG 333 Cb -0.12 0.48 -0.01 0.00 -1.03 0.00 0.00 34.95 34.27 3i3d s ARG 333 CO 0.28 -0.32 -0.18 -2.00 -1.13 0.00 0.00 175.30 171.94 3i3d s GLU 334 N -1.29 3.05 -0.14 3.89 2.12 -1.26 -4.87 118.70 120.19 3i3d s GLU 334 Ca -0.11 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.46 3i3d s GLU 334 Cb -0.01 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.96 3i3d s GLU 334 CO 0.09 0.28 -0.19 0.08 -0.54 0.00 0.00 175.26 174.98 3i3d s VAL 335 N 0.14 2.43 0.10 3.70 1.01 -1.26 -0.66 120.40 125.87 3i3d s VAL 335 Ca -0.10 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 3i3d s VAL 335 Cb -0.16 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.30 3i3d s VAL 335 CO 0.06 0.53 0.60 0.00 0.00 0.00 0.00 175.10 176.29 3i3d s ARG 336 N 0.67 1.20 -0.24 2.72 1.70 -0.69 -4.58 118.95 119.74 3i3d s ARG 336 Ca -0.09 -0.30 -0.05 0.00 -0.47 0.00 0.00 55.73 54.82 3i3d s ARG 336 Cb -0.16 0.56 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 3i3d s ARG 336 CO 0.02 -0.49 -0.01 0.42 -1.08 0.00 0.00 175.30 174.16 3i3d s ILE 337 N -3.10 3.60 -0.05 4.99 1.01 -1.26 0.10 121.20 126.49 3i3d s ILE 337 Ca -0.02 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3i3d s ILE 337 Cb -0.01 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.80 3i3d s ILE 337 CO -0.07 0.36 -0.05 -0.70 0.00 0.00 0.00 174.94 174.48 3i3d s GLU 338 N 1.50 0.92 -1.45 2.79 2.12 -0.30 -4.83 118.70 119.45 3i3d s GLU 338 Ca 0.05 -0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.17 3i3d s GLU 338 Cb -0.15 -0.96 0.04 0.00 0.26 0.00 0.00 34.13 33.33 3i3d s GLU 338 CO -0.01 -0.12 1.02 -1.71 -0.54 0.00 0.00 175.26 173.90 3i3d n ASN 339 N 4.25 -5.64 0.00 -1.70 5.15 -1.26 -1.88 115.26 114.19 3i3d n ASN 339 Ca -0.21 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 3i3d n ASN 339 Cb 0.51 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 3i3d n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i3d n GLY 340 N -1.80 0.74 3.33 8.20 0.00 -1.25 -5.04 105.19 109.37 3i3d n GLY 340 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3i3d n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3d s LEU 341 N 0.00 2.20 -0.28 0.99 1.43 -0.79 -2.77 118.68 119.47 3i3d s LEU 341 Ca 0.00 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 3i3d s LEU 341 Cb 0.00 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3i3d s LEU 341 CO 0.00 0.29 0.85 -0.22 0.23 0.00 0.00 176.35 177.51 3i3d s LEU 342 N -0.45 4.07 0.01 1.79 2.96 -1.26 -1.15 118.68 124.64 3i3d s LEU 342 Ca 0.05 0.89 0.06 0.00 -0.22 0.00 0.00 54.13 54.92 3i3d s LEU 342 Cb -0.12 -3.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 3i3d s LEU 342 CO 0.01 -0.61 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.49 3i3d s LEU 343 N 3.01 2.57 -0.15 -0.68 1.43 0.11 -2.35 118.68 122.62 3i3d s LEU 343 Ca 0.36 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3i3d s LEU 343 Cb -0.14 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3i3d s LEU 343 CO 0.10 0.29 -0.21 -0.22 0.23 0.00 0.00 176.35 176.54 3i3d s LEU 344 N -1.14 2.13 -1.62 1.79 2.96 0.23 -1.70 118.68 121.32 3i3d s LEU 344 Ca 0.13 -0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 53.31 3i3d s LEU 344 Cb -0.10 -1.46 0.11 0.00 0.50 0.00 0.00 46.19 45.23 3i3d s LEU 344 CO 0.03 0.06 0.62 0.59 -1.32 0.00 0.00 176.35 176.33 3i3d n ASN 345 N 4.22 -2.09 0.00 3.68 3.02 0.17 -0.72 115.26 123.53 3i3d n ASN 345 Ca -0.20 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3i3d n ASN 345 Cb 0.51 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 37.00 3i3d n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3d n GLY 346 N -1.63 1.17 3.49 7.41 0.00 -1.26 -5.02 105.19 109.34 3i3d n GLY 346 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3i3d n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3d s LYS 347 N -0.04 2.37 -0.06 1.61 -0.14 0.10 -5.01 119.74 118.57 3i3d s LYS 347 Ca 0.00 -0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 53.52 3i3d s LYS 347 Cb 0.00 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 3i3d s LYS 347 CO 0.00 0.59 1.44 -1.25 -0.76 0.00 0.00 175.35 175.37 3i3d s PRO 348 N -1.07 4.24 0.60 -1.68 0.04 -1.26 -0.60 135.00 135.26 3i3d s PRO 348 Ca 0.13 1.95 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 3i3d s PRO 348 Cb -0.11 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 3i3d s PRO 348 CO 0.03 -0.69 1.02 -0.51 0.04 0.00 0.00 177.00 176.89 3i3d s LEU 349 N 3.20 3.35 -0.32 -3.56 1.43 -0.99 -4.95 118.68 116.84 3i3d s LEU 349 Ca 0.64 1.52 -0.01 0.00 -1.03 0.00 0.00 54.13 55.25 3i3d s LEU 349 Cb -0.29 -4.49 0.10 0.00 0.03 0.00 0.00 46.19 41.54 3i3d s LEU 349 CO 0.24 -0.89 0.11 -0.22 0.23 0.00 0.00 176.35 175.82 3i3d s LEU 350 N -4.87 2.16 -0.32 1.79 2.96 -1.26 -4.75 118.68 114.39 3i3d s LEU 350 Ca 0.57 -1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 52.52 3i3d s LEU 350 Cb -0.11 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 3i3d s LEU 350 CO 0.46 -0.41 1.49 -0.63 -1.32 0.00 0.00 176.35 175.95 3i3d s ILE 351 N 1.58 3.85 -0.98 6.68 -1.09 0.89 -4.92 121.20 127.21 3i3d s ILE 351 Ca 0.10 0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 59.42 3i3d s ILE 351 Cb -0.18 -3.98 0.27 0.00 -1.58 0.00 0.00 42.46 37.00 3i3d s ILE 351 CO -0.24 -0.50 1.12 0.54 -1.23 0.00 0.00 174.94 174.62 3i3d n ARG 352 N 7.79 3.53 -3.85 2.79 1.74 -1.26 -2.27 116.66 125.12 3i3d n ARG 352 Ca 0.17 -4.53 -0.24 0.00 -0.77 0.00 0.00 57.85 52.48 3i3d n ARG 352 Cb 0.47 -2.46 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 3i3d n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3i3d s GLY 353 N -0.75 2.30 -0.04 -0.13 0.00 -0.55 -0.76 107.32 107.40 3i3d s GLY 353 Ca 0.31 -1.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.26 3i3d s GLY 353 CO -0.01 -1.87 0.34 0.54 0.00 0.00 0.00 173.10 172.10 3i3d s VAL 354 N -2.65 0.04 0.09 1.40 0.11 -0.88 -1.08 120.40 117.43 3i3d s VAL 354 Ca 0.39 -0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 3i3d s VAL 354 Cb -0.01 -0.60 -0.07 0.00 -1.53 0.00 0.00 36.38 34.17 3i3d s VAL 354 CO 0.23 -0.19 0.66 0.20 -3.33 0.00 0.00 175.10 172.67 3i3d s ASN 355 N -0.96 7.17 -0.08 3.54 0.01 0.34 -1.83 114.94 123.13 3i3d s ASN 355 Ca -0.10 1.39 -0.00 0.00 -0.71 0.00 0.00 52.86 53.43 3i3d s ASN 355 Cb -0.04 -2.41 0.02 0.00 0.41 0.00 0.00 41.25 39.23 3i3d s ASN 355 CO 0.04 0.21 -0.03 -0.60 -1.51 0.00 0.00 177.10 175.20 3i3d s ARG 356 N -0.91 0.95 0.39 -0.60 3.52 -0.88 -0.81 118.95 120.62 3i3d s ARG 356 Ca 0.32 -0.06 -0.01 0.00 -0.13 0.00 0.00 55.73 55.85 3i3d s ARG 356 Cb -0.21 -1.13 -0.03 0.00 -1.56 0.00 0.00 34.95 32.03 3i3d s ARG 356 CO 0.21 -0.23 0.62 -1.01 -0.81 0.00 0.00 175.30 174.08 3i3d s HIS 357 N 1.61 3.51 -0.61 5.12 3.76 -1.26 -3.52 115.29 123.90 3i3d s HIS 357 Ca 0.01 0.48 -0.21 0.00 -0.15 0.00 0.00 55.06 55.19 3i3d s HIS 357 Cb -0.13 -2.02 0.08 0.00 1.11 0.00 0.00 32.58 31.62 3i3d s HIS 357 CO -0.04 -0.00 0.82 -1.21 -0.85 0.00 0.00 174.74 173.45 3i3d s GLU 358 N -4.44 3.09 -0.04 1.40 2.02 -1.26 -4.95 118.70 114.52 3i3d s GLU 358 Ca 0.42 -1.04 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 3i3d s GLU 358 Cb -0.10 -4.23 0.02 0.00 0.10 0.00 0.00 34.13 29.92 3i3d s GLU 358 CO 0.39 -1.63 0.09 -1.58 0.02 0.00 0.00 175.26 172.55 3i3d s HIS 359 N 3.31 -0.09 -0.03 1.61 2.46 -1.26 -4.48 115.29 116.81 3i3d s HIS 359 Ca 0.17 0.28 0.02 0.00 0.47 0.00 0.00 55.06 55.99 3i3d s HIS 359 Cb -0.20 -0.03 0.01 0.00 -0.13 0.00 0.00 32.58 32.23 3i3d s HIS 359 CO 0.09 -0.08 -0.05 -1.58 -2.47 0.00 0.00 174.74 170.64 3i3d s HIS 360 N 0.47 0.69 0.45 3.88 5.04 0.11 -5.01 115.29 120.91 3i3d s HIS 360 Ca -0.03 -0.16 0.24 0.00 -1.54 0.00 0.00 55.06 53.56 3i3d s HIS 360 Cb -0.05 -0.55 1.39 0.00 0.04 0.00 0.00 32.58 33.41 3i3d s HIS 360 CO -0.02 -0.12 2.08 -1.00 -2.34 0.00 0.00 174.74 173.35 3i3d h PRO 361 N 6.69 0.00 0.00 2.88 0.13 -1.78 -1.08 132.00 138.84 3i3d h PRO 361 Ca -0.35 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.45 3i3d h PRO 361 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3i3d h PRO 361 CO 0.49 0.12 -2.24 -0.11 -0.23 0.00 0.00 178.00 176.02 3i3d n LEU 362 N -3.85 2.24 -1.19 1.56 7.94 -1.26 -2.39 117.00 120.05 3i3d n LEU 362 Ca -0.02 -0.09 0.11 0.00 -1.11 0.00 0.00 56.01 54.90 3i3d n LEU 362 Cb 0.21 -0.47 0.26 0.00 0.53 0.00 0.00 43.42 43.95 3i3d n LEU 362 CO 0.31 0.76 0.72 1.41 -1.11 0.00 0.00 177.39 179.49 3i3d n HIS 363 N -3.02 0.72 0.00 1.96 8.25 -1.24 -4.97 115.22 116.93 3i3d n HIS 363 Ca -0.36 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 3i3d n HIS 363 Cb 0.95 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 3i3d n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i3d n GLY 364 N 1.46 2.40 1.22 -1.41 0.00 -0.41 -2.79 105.19 105.67 3i3d n GLY 364 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 3i3d n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3d n GLN 365 N 6.12 3.55 -3.13 1.61 6.02 -1.26 0.06 117.38 130.35 3i3d n GLN 365 Ca 0.00 -2.85 -0.40 0.00 -0.01 0.00 0.00 57.00 53.74 3i3d n GLN 365 Cb 0.00 -1.90 -0.06 0.00 1.02 0.00 0.00 30.24 29.30 3i3d n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3i3d s VAL 366 N -2.47 5.02 0.11 5.09 1.01 -1.12 -4.85 120.40 123.19 3i3d s VAL 366 Ca 0.45 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 3i3d s VAL 366 Cb 0.34 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3i3d s VAL 366 CO 0.14 0.10 0.29 -0.04 0.00 0.00 0.00 175.10 175.58 3i3d s MET 367 N 2.03 3.49 0.09 2.72 -1.94 -1.26 -4.75 119.30 119.68 3i3d s MET 367 Ca 0.27 -0.37 0.02 0.00 -1.71 0.00 0.00 55.69 53.91 3i3d s MET 367 Cb -0.16 -2.95 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 3i3d s MET 367 CO 0.10 0.53 -0.08 0.16 -0.01 0.00 0.00 175.02 175.72 3i3d s ASP 368 N -2.71 1.16 0.19 3.03 -4.77 -1.26 -5.03 116.67 107.29 3i3d s ASP 368 Ca 0.37 -0.88 -0.11 0.00 -3.30 0.00 0.00 52.55 48.62 3i3d s ASP 368 Cb -0.12 0.06 0.20 0.00 -1.09 0.00 0.00 42.92 41.98 3i3d s ASP 368 CO 0.27 -0.38 1.76 -0.08 0.70 0.00 0.00 175.17 177.45 3i3d h GLU 369 N 3.36 0.42 -0.24 2.11 4.81 -1.99 -1.97 114.58 121.08 3i3d h GLU 369 Ca -0.36 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.90 3i3d h GLU 369 Cb 1.18 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 3i3d h GLU 369 CO 0.58 0.28 -0.11 0.37 -0.73 0.00 0.00 179.01 179.40 3i3d h GLN 370 N 0.43 -0.07 -0.50 1.92 4.15 -1.98 0.20 115.11 119.26 3i3d h GLN 370 Ca 0.26 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 3i3d h GLN 370 Cb 0.26 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3i3d h GLN 370 CO -0.24 -0.05 0.15 1.15 -1.93 0.00 0.00 178.83 177.92 3i3d h THR 371 N -0.08 1.23 -0.53 2.39 2.02 -1.93 -0.24 112.91 115.77 3i3d h THR 371 Ca 0.13 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 3i3d h THR 371 Cb 0.27 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3i3d h THR 371 CO -0.29 0.28 0.29 0.24 0.37 0.00 0.00 175.52 176.41 3i3d h MET 372 N 0.68 0.74 -0.57 6.66 2.86 -0.92 -0.77 114.93 123.61 3i3d h MET 372 Ca 0.16 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3i3d h MET 372 Cb 0.28 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3i3d h MET 372 CO -0.00 0.57 -0.04 0.28 1.06 0.00 0.00 176.91 178.78 3i3d h VAL 373 N 0.71 1.27 -0.66 -2.22 2.07 -0.46 -2.01 116.25 114.96 3i3d h VAL 373 Ca 0.19 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.54 3i3d h VAL 373 Cb 0.05 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3i3d h VAL 373 CO -0.03 0.43 0.41 -0.61 0.02 0.00 0.00 177.57 177.78 3i3d h GLN 374 N 0.92 0.77 -0.04 1.57 4.15 -0.65 -1.43 115.11 120.40 3i3d h GLN 374 Ca 0.16 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 3i3d h GLN 374 Cb 0.61 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 3i3d h GLN 374 CO 0.04 0.51 0.02 -0.44 -1.93 0.00 0.00 178.83 177.03 3i3d h ASP 375 N 0.79 0.05 -0.57 -0.69 3.32 -0.87 -2.14 116.42 116.31 3i3d h ASP 375 Ca 0.27 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.24 3i3d h ASP 375 Cb 0.04 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3i3d h ASP 375 CO -0.11 0.14 0.36 0.40 -1.72 0.00 0.00 179.24 178.31 3i3d h ILE 376 N -0.03 1.09 -0.40 0.35 2.04 -1.08 0.02 117.51 119.50 3i3d h ILE 376 Ca 0.01 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3i3d h ILE 376 Cb 0.10 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3i3d h ILE 376 CO -0.00 0.13 0.22 -0.07 0.00 0.00 0.00 178.15 178.43 3i3d h LEU 377 N 0.72 0.51 -0.69 1.44 3.38 -1.21 -1.32 115.31 118.14 3i3d h LEU 377 Ca 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i3d h LEU 377 Cb -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3i3d h LEU 377 CO -0.08 0.45 0.38 -0.07 0.09 0.00 0.00 178.44 179.21 3i3d h LEU 378 N 0.52 0.85 0.39 1.67 3.38 -1.07 0.24 115.31 121.29 3i3d h LEU 378 Ca 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i3d h LEU 378 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3i3d h LEU 378 CO -0.02 0.70 -0.19 0.24 0.09 0.00 0.00 178.44 179.26 3i3d h MET 379 N 0.94 -0.51 -0.22 1.13 2.86 -0.70 -1.80 114.93 116.62 3i3d h MET 379 Ca 0.24 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 3i3d h MET 379 Cb 0.03 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3i3d h MET 379 CO -0.04 -0.32 -0.11 0.87 1.06 0.00 0.00 176.91 178.38 3i3d h LYS 380 N -0.57 0.36 0.00 1.72 1.57 -1.18 -0.53 116.57 117.95 3i3d h LYS 380 Ca -0.05 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3i3d h LYS 380 Cb 0.43 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3i3d h LYS 380 CO 0.09 0.48 0.00 1.96 -0.57 0.00 0.00 179.45 181.41 3i3d h GLN 381 N 0.34 0.00 -0.37 3.15 4.20 -0.72 -2.50 115.11 119.21 3i3d h GLN 381 Ca 0.07 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 3i3d h GLN 381 Cb 0.40 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.07 3i3d h GLN 381 CO 0.02 0.00 -0.05 0.09 -0.67 0.00 0.00 178.83 178.23 3i3d n ASN 382 N -2.91 2.60 -2.33 1.46 3.02 -0.30 -4.96 115.26 111.83 3i3d n ASN 382 Ca -0.00 -3.73 -0.20 0.00 -0.03 0.00 0.00 54.58 50.62 3i3d n ASN 382 Cb 0.23 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.75 3i3d n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i3d n ASN 383 N -1.09 -5.78 -4.85 6.41 3.02 -0.94 -3.97 115.26 108.07 3i3d n ASN 383 Ca 0.34 -0.03 -0.37 0.00 -0.03 0.00 0.00 54.58 54.49 3i3d n ASN 383 Cb 1.06 -4.79 -0.06 0.00 -0.61 0.00 0.00 39.78 35.37 3i3d n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i3d s PHE 384 N -3.02 3.69 0.00 3.10 0.40 -0.63 -4.84 117.98 116.68 3i3d s PHE 384 Ca 0.01 0.92 0.00 0.00 -0.60 0.00 0.00 56.93 57.26 3i3d s PHE 384 Cb -0.00 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.29 3i3d s PHE 384 CO 0.01 0.62 0.58 0.27 0.70 0.00 0.00 175.22 177.40 3i3d n ASN 385 N 1.61 1.08 -3.73 1.36 0.23 0.06 -4.20 115.26 111.67 3i3d n ASN 385 Ca -0.13 -1.29 -0.14 0.00 -0.53 0.00 0.00 54.58 52.50 3i3d n ASN 385 Cb 0.52 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 3i3d n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i3d s ALA 386 N -0.29 -0.87 0.01 -2.53 0.00 -1.11 -0.43 121.76 116.54 3i3d s ALA 386 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.34 3i3d s ALA 386 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 3i3d s ALA 386 CO 0.00 -0.29 -0.02 0.54 0.00 0.00 0.00 175.76 175.99 3i3d s VAL 387 N -1.48 0.15 -0.17 0.00 0.11 0.18 -2.08 120.40 117.11 3i3d s VAL 387 Ca -0.12 -0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 3i3d s VAL 387 Cb -0.04 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 3i3d s VAL 387 CO 0.04 -0.08 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.08 3i3d s ARG 388 N -0.37 3.61 -1.16 1.54 3.52 -0.76 -1.78 118.95 123.54 3i3d s ARG 388 Ca -0.03 -0.55 -0.17 0.00 -0.13 0.00 0.00 55.73 54.85 3i3d s ARG 388 Cb -0.03 -2.92 -0.05 0.00 -1.56 0.00 0.00 34.95 30.39 3i3d s ARG 388 CO -0.00 0.16 2.11 0.00 -0.81 0.00 0.00 175.30 176.76 3i3d s SER 390 N 3.95 6.53 -0.40 0.00 1.04 -1.23 -0.82 113.70 122.76 3i3d s SER 390 Ca 0.52 1.12 0.08 0.00 0.48 0.00 0.00 55.95 58.15 3i3d s SER 390 Cb 0.14 -2.54 0.24 0.00 0.10 0.00 0.00 66.02 63.97 3i3d s SER 390 CO 0.00 -1.22 0.52 1.41 0.98 0.00 0.00 173.24 174.93 3i3d n HIS 391 N 8.11 -0.23 0.00 5.02 -0.00 -1.26 -4.17 115.22 122.69 3i3d n HIS 391 Ca 0.16 -3.57 0.00 0.00 -0.00 0.00 0.00 57.72 54.31 3i3d n HIS 391 Cb 0.47 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 3i3d n HIS 391 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 3i3d n TYR 392 N 1.48 0.00 -1.83 4.41 0.18 -0.00 -4.34 117.16 117.06 3i3d n TYR 392 Ca 0.22 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.60 3i3d n TYR 392 Cb 0.52 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 3i3d n TYR 392 CO 0.00 0.00 0.00 -2.14 -2.08 0.00 0.00 176.86 172.64 3i3d s PRO 393 N -2.00 3.87 0.67 -3.48 0.02 -0.77 -4.57 135.00 128.74 3i3d s PRO 393 Ca 0.00 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3i3d s PRO 393 Cb 0.00 -2.78 0.10 0.00 0.02 0.00 0.00 34.50 31.84 3i3d s PRO 393 CO 0.00 -0.68 0.93 -0.80 -0.33 0.00 0.00 177.00 176.12 3i3d s ASN 394 N -0.40 4.62 0.21 2.53 -0.87 -1.26 -4.83 114.94 114.94 3i3d s ASN 394 Ca 0.57 -0.28 -0.32 0.00 -1.57 0.00 0.00 52.86 51.26 3i3d s ASN 394 Cb -0.44 -0.23 -0.12 0.00 -0.02 0.00 0.00 41.25 40.43 3i3d s ASN 394 CO 0.58 -1.66 1.66 1.57 -2.57 0.00 0.00 177.10 176.68 3i3d n HIS 395 N -2.69 2.64 -0.39 2.20 -0.00 -1.26 -4.86 115.22 110.86 3i3d n HIS 395 Ca 0.13 0.14 0.32 0.00 -0.00 0.00 0.00 57.72 58.31 3i3d n HIS 395 Cb 0.60 -2.62 0.63 0.00 -0.00 0.00 0.00 29.99 28.60 3i3d n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3i3d h PRO 396 N 6.15 0.17 0.00 1.57 0.13 -1.97 -0.63 132.00 137.42 3i3d h PRO 396 Ca -0.44 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 3i3d h PRO 396 Cb 1.22 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3i3d h PRO 396 CO 0.91 0.11 -0.18 1.25 -0.23 0.00 0.00 178.00 179.86 3i3d h LEU 397 N 0.18 0.00 -0.56 1.56 5.85 -2.01 -3.04 115.31 117.30 3i3d h LEU 397 Ca 0.68 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.45 3i3d h LEU 397 Cb 2.17 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.15 3i3d h LEU 397 CO -0.24 0.18 0.28 -0.25 -0.34 0.00 0.00 178.44 178.06 3i3d h TRP 398 N 0.00 0.50 -0.21 1.25 2.91 -1.46 -1.00 115.95 117.94 3i3d h TRP 398 Ca -0.00 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 59.95 3i3d h TRP 398 Cb 0.38 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 3i3d h TRP 398 CO 0.00 0.23 -0.25 1.88 -1.03 0.00 0.00 178.44 179.27 3i3d h TYR 399 N 0.52 0.43 -0.51 2.65 -1.99 -1.70 -1.07 116.97 115.31 3i3d h TYR 399 Ca 0.25 -0.09 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 3i3d h TYR 399 Cb 0.18 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 3i3d h TYR 399 CO -0.11 0.61 -0.02 1.15 -0.00 0.00 0.00 178.16 179.79 3i3d h THR 400 N 0.35 1.27 -0.62 -2.88 2.02 -1.43 -0.12 112.91 111.49 3i3d h THR 400 Ca 0.05 -1.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.02 3i3d h THR 400 Cb 0.62 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3i3d h THR 400 CO 0.04 0.39 0.04 -0.07 0.37 0.00 0.00 175.52 176.30 3i3d h LEU 401 N 0.78 1.03 -0.94 2.58 3.38 -0.86 -1.90 115.31 119.38 3i3d h LEU 401 Ca 0.14 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3i3d h LEU 401 Cb 0.55 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3i3d h LEU 401 CO 0.03 1.06 -0.28 0.00 0.09 0.00 0.00 178.44 179.34 3i3d h ASP 403 N 0.38 0.77 0.19 0.00 3.32 -0.70 -0.07 116.42 120.32 3i3d h ASP 403 Ca 0.05 -0.21 -0.28 0.00 0.02 0.00 0.00 57.03 56.61 3i3d h ASP 403 Cb 0.69 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 40.06 3i3d h ASP 403 CO 0.05 0.78 -1.30 0.03 -1.72 0.00 0.00 179.24 177.08 3i3d h ARG 404 N 0.73 0.41 0.00 3.56 3.08 -1.09 -3.35 114.38 117.71 3i3d h ARG 404 Ca 0.17 -0.69 -0.12 0.00 0.07 0.00 0.00 59.98 59.40 3i3d h ARG 404 Cb 0.28 0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3i3d h ARG 404 CO -0.00 1.33 -0.73 1.88 -1.07 0.00 0.00 179.97 181.37 3i3d h TYR 405 N -0.09 0.00 -1.43 3.04 -1.99 -0.87 -3.45 116.97 112.19 3i3d h TYR 405 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3i3d h TYR 405 Cb 1.94 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.67 3i3d h TYR 405 CO 0.15 0.54 0.00 0.41 -0.00 0.00 0.00 178.16 179.25 3i3d n GLY 406 N 1.27 -1.20 3.11 3.88 0.00 -0.09 -4.78 105.19 107.38 3i3d n GLY 406 Ca -0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 3i3d n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3d s LEU 407 N -0.08 0.85 0.07 0.99 1.43 -0.91 -4.62 118.68 116.42 3i3d s LEU 407 Ca 0.00 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 3i3d s LEU 407 Cb 0.00 0.82 -0.05 0.00 0.03 0.00 0.00 46.19 46.99 3i3d s LEU 407 CO 0.00 -0.11 1.09 -0.31 0.23 0.00 0.00 176.35 177.25 3i3d s TYR 408 N 0.48 3.58 -0.02 0.29 4.12 0.43 -4.70 117.35 121.53 3i3d s TYR 408 Ca -0.03 1.53 0.07 0.00 0.02 0.00 0.00 57.07 58.66 3i3d s TYR 408 Cb -0.04 -3.26 -0.02 0.00 -1.52 0.00 0.00 41.96 37.11 3i3d s TYR 408 CO -0.02 -0.60 -0.22 0.08 0.02 0.00 0.00 175.55 174.80 3i3d s VAL 409 N 0.65 2.42 -0.39 0.71 1.01 0.24 -0.65 120.40 124.40 3i3d s VAL 409 Ca 0.53 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3i3d s VAL 409 Cb -0.26 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.28 3i3d s VAL 409 CO 0.30 0.56 0.21 -0.69 0.00 0.00 0.00 175.10 175.47 3i3d s VAL 410 N -0.68 4.12 -0.16 2.92 1.01 -0.74 -1.49 120.40 125.39 3i3d s VAL 410 Ca 0.11 -1.27 -0.25 0.00 0.00 0.00 0.00 61.98 60.56 3i3d s VAL 410 Cb -0.10 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3i3d s VAL 410 CO 0.00 -0.38 0.83 -0.62 0.00 0.00 0.00 175.10 174.93 3i3d s ASP 411 N 1.83 6.97 -0.10 3.32 -1.08 -0.41 -1.88 116.67 125.32 3i3d s ASP 411 Ca 0.02 1.20 0.03 0.00 -0.52 0.00 0.00 52.55 53.27 3i3d s ASP 411 Cb -0.21 -2.46 -0.01 0.00 -1.46 0.00 0.00 42.92 38.78 3i3d s ASP 411 CO 0.03 -0.38 -0.21 -0.70 0.52 0.00 0.00 175.17 174.43 3i3d s GLU 412 N 2.03 3.06 0.49 4.34 2.12 -1.26 0.01 118.70 129.49 3i3d s GLU 412 Ca 0.39 -0.83 -0.23 0.00 0.36 0.00 0.00 54.97 54.66 3i3d s GLU 412 Cb -0.17 -2.37 -0.06 0.00 0.26 0.00 0.00 34.13 31.79 3i3d s GLU 412 CO 0.13 0.23 1.27 0.00 -0.54 0.00 0.00 175.26 176.35 3i3d s ALA 413 N 0.25 2.95 -1.28 6.30 0.00 -0.20 -1.85 121.76 127.93 3i3d s ALA 413 Ca -0.14 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 3i3d s ALA 413 Cb -0.17 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.49 3i3d s ALA 413 CO 0.07 -0.99 1.95 -1.71 0.00 0.00 0.00 175.76 175.08 3i3d n ASN 414 N -0.64 4.06 -3.56 0.00 5.15 -1.26 -4.05 115.26 114.96 3i3d n ASN 414 Ca 0.08 -2.84 -0.21 0.00 -0.60 0.00 0.00 54.58 51.02 3i3d n ASN 414 Cb 0.46 -1.65 -0.15 0.00 -0.53 0.00 0.00 39.78 37.92 3i3d n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i3d s ILE 415 N 4.89 -0.23 -0.18 -1.44 1.01 -1.25 -4.79 121.20 119.19 3i3d s ILE 415 Ca 0.54 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 3i3d s ILE 415 Cb 0.08 -0.57 0.09 0.00 0.01 0.00 0.00 42.46 42.07 3i3d s ILE 415 CO 0.04 -0.17 0.35 -0.70 0.00 0.00 0.00 174.94 174.46 3i3d s GLU 416 N 2.25 0.26 -0.27 2.79 2.12 -0.40 -0.75 118.70 124.70 3i3d s GLU 416 Ca 0.05 0.82 0.09 0.00 0.36 0.00 0.00 54.97 56.29 3i3d s GLU 416 Cb -0.15 0.01 0.46 0.00 0.26 0.00 0.00 34.13 34.70 3i3d s GLU 416 CO -0.10 -0.35 1.18 0.25 -0.54 0.00 0.00 175.26 175.71 3i3d n THR 417 N 5.37 2.33 -0.31 -1.70 -2.24 -1.09 -1.00 114.28 115.65 3i3d n THR 417 Ca -0.07 -3.93 0.14 0.00 -2.27 0.00 0.00 64.05 57.92 3i3d n THR 417 Cb 0.50 -0.76 0.31 0.00 -2.10 0.00 0.00 70.33 68.28 3i3d n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3i3d h HIS 418 N 2.08 0.62 0.00 4.78 6.17 -1.37 -1.64 115.15 125.78 3i3d h HIS 418 Ca 0.27 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.39 3i3d h HIS 418 Cb 1.46 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 31.26 3i3d h HIS 418 CO 0.79 -0.08 0.00 0.41 0.71 0.00 0.00 177.93 179.76 3i3d n GLY 419 N -1.34 -0.70 3.82 5.26 0.00 -1.21 -4.77 105.19 106.25 3i3d n GLY 419 Ca 0.22 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3i3d n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i3d s MET 420 N -2.41 2.41 -0.20 1.61 -1.94 -0.62 -4.77 119.30 113.38 3i3d s MET 420 Ca 0.17 0.70 -0.04 0.00 -1.71 0.00 0.00 55.69 54.81 3i3d s MET 420 Cb 0.10 -1.95 0.07 0.00 2.01 0.00 0.00 34.83 35.06 3i3d s MET 420 CO 0.22 -1.41 0.09 0.08 -0.01 0.00 0.00 175.02 173.98 3i3d s VAL 421 N -3.15 0.06 1.12 -6.03 1.01 -1.26 -3.32 120.40 108.82 3i3d s VAL 421 Ca 0.60 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 3i3d s VAL 421 Cb -0.14 -0.75 0.25 0.00 0.00 0.00 0.00 36.38 35.74 3i3d s VAL 421 CO 0.54 -0.35 1.13 -2.16 0.00 0.00 0.00 175.10 174.27 3i3d s PRO 422 N 2.06 -0.55 0.63 2.72 0.04 -1.26 -4.85 135.00 133.80 3i3d s PRO 422 Ca 0.03 0.04 0.36 0.00 0.04 0.00 0.00 61.00 61.46 3i3d s PRO 422 Cb -0.16 -1.67 2.07 0.00 0.04 0.00 0.00 34.50 34.78 3i3d s PRO 422 CO -0.13 -3.28 2.27 1.98 0.04 0.00 0.00 177.00 177.88 3i3d h MET 423 N -2.28 0.00 -0.56 4.56 4.05 -1.85 -2.46 114.93 116.39 3i3d h MET 423 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 3i3d h MET 423 Cb 1.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 3i3d h MET 423 CO 0.41 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.82 3i3d n ASN 424 N -3.46 5.36 -0.26 1.39 6.94 -1.25 -3.66 115.26 120.32 3i3d n ASN 424 Ca -0.02 -2.84 0.06 0.00 -0.02 0.00 0.00 54.58 51.76 3i3d n ASN 424 Cb 0.12 -0.65 0.29 0.00 -2.36 0.00 0.00 39.78 37.18 3i3d n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3i3d h ARG 425 N 3.80 0.87 0.13 -3.83 2.43 -1.75 -1.26 114.38 114.77 3i3d h ARG 425 Ca 0.00 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.77 3i3d h ARG 425 Cb 1.82 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 3i3d h ARG 425 CO 0.41 0.58 -1.85 -0.07 -1.51 0.00 0.00 179.97 177.53 3i3d h LEU 426 N 0.90 0.42 -0.47 3.80 3.38 -1.86 -3.33 115.31 118.15 3i3d h LEU 426 Ca 0.38 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3i3d h LEU 426 Cb 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3i3d h LEU 426 CO -0.15 1.80 0.00 0.35 0.09 0.00 0.00 178.44 180.54 3i3d n THR 427 N -3.62 0.98 0.31 0.22 -2.24 -1.13 -1.66 114.28 107.13 3i3d n THR 427 Ca -0.30 0.29 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 3i3d n THR 427 Cb 1.01 -1.17 0.14 0.00 -2.10 0.00 0.00 70.33 68.21 3i3d n THR 427 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i3d n ASP 428 N -1.94 2.86 -4.54 3.42 2.03 -0.49 -1.97 116.55 115.92 3i3d n ASP 428 Ca 0.02 -1.84 -0.40 0.00 0.52 0.00 0.00 54.79 53.09 3i3d n ASP 428 Cb 0.18 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 3i3d n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3i3d s ASP 429 N -1.26 6.10 0.63 1.67 -1.08 -0.67 -4.60 116.67 117.46 3i3d s ASP 429 Ca 0.27 -0.34 0.31 0.00 -0.52 0.00 0.00 52.55 52.26 3i3d s ASP 429 Cb 0.16 -2.16 1.67 0.00 -1.46 0.00 0.00 42.92 41.14 3i3d s ASP 429 CO 0.23 -0.26 2.00 1.55 0.52 0.00 0.00 175.17 179.20 3i3d h PRO 430 N 8.47 0.00 0.00 4.34 0.13 -1.90 0.44 132.00 143.48 3i3d h PRO 430 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 3i3d h PRO 430 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3i3d h PRO 430 CO 0.65 0.00 -0.19 -0.09 -0.23 0.00 0.00 178.00 178.14 3i3d h ARG 431 N 0.00 0.00 -0.25 0.86 2.43 -1.92 -2.39 114.38 113.11 3i3d h ARG 431 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3i3d h ARG 431 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3i3d h ARG 431 CO -0.00 0.19 0.00 0.91 -1.51 0.00 0.00 179.97 179.56 3i3d n TRP 432 N -4.29 0.31 -0.14 2.20 7.02 0.14 -4.42 117.44 118.26 3i3d n TRP 432 Ca -0.02 -0.15 -0.08 0.00 -1.02 0.00 0.00 57.50 56.22 3i3d n TRP 432 Cb 0.25 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 3i3d n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3i3d h LEU 433 N 3.78 0.52 -0.02 -0.99 5.85 -1.44 -2.02 115.31 121.00 3i3d h LEU 433 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3i3d h LEU 433 Cb 0.83 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 3i3d h LEU 433 CO 0.00 0.46 -0.26 -0.65 -0.34 0.00 0.00 178.44 177.65 3i3d h PRO 434 N 0.55 -0.37 -0.73 5.25 0.11 -1.78 0.45 132.00 135.48 3i3d h PRO 434 Ca 0.15 0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.31 3i3d h PRO 434 Cb 0.05 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.20 3i3d h PRO 434 CO -0.02 -0.25 0.47 0.00 -0.21 0.00 0.00 178.00 177.99 3i3d h ALA 435 N 0.46 0.94 -0.26 -0.75 0.00 -1.73 -2.56 119.26 115.36 3i3d h ALA 435 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i3d h ALA 435 Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i3d h ALA 435 CO -0.24 0.28 0.07 0.52 0.00 0.00 0.00 179.25 179.87 3i3d h MET 436 N 0.93 0.41 -0.72 0.00 2.86 -0.76 -3.12 114.93 114.53 3i3d h MET 436 Ca 0.28 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 3i3d h MET 436 Cb -0.03 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3i3d h MET 436 CO -0.09 0.50 0.47 0.66 1.06 0.00 0.00 176.91 179.52 3i3d h SER 437 N 0.25 0.71 0.13 1.22 4.64 0.16 -1.82 113.55 118.85 3i3d h SER 437 Ca 0.08 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 3i3d h SER 437 Cb 0.27 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3i3d h SER 437 CO 0.00 0.47 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.78 3i3d h GLU 438 N 0.81 0.29 0.00 4.77 5.08 -1.41 0.27 114.58 124.40 3i3d h GLU 438 Ca 0.30 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3i3d h GLU 438 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3i3d h GLU 438 CO -0.09 0.59 -0.34 0.00 -1.00 0.00 0.00 179.01 178.17 3i3d h ARG 439 N 0.25 0.00 0.00 2.33 3.08 -1.30 -1.59 114.38 117.16 3i3d h ARG 439 Ca 0.03 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3i3d h ARG 439 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3i3d h ARG 439 CO 0.05 0.34 -0.59 0.28 -1.07 0.00 0.00 179.97 178.98 3i3d h VAL 440 N 0.00 0.42 -0.90 2.04 2.07 -1.15 -3.33 116.25 115.40 3i3d h VAL 440 Ca -0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3i3d h VAL 440 Cb 0.84 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3i3d h VAL 440 CO 0.04 0.14 0.57 0.71 0.02 0.00 0.00 177.57 179.06 3i3d h THR 441 N -1.00 1.24 0.00 2.57 1.35 -0.55 -1.93 112.91 114.58 3i3d h THR 441 Ca -0.10 -0.48 -0.04 0.00 -0.55 0.00 0.00 66.41 65.24 3i3d h THR 441 Cb 0.69 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 3i3d h THR 441 CO -0.06 0.24 -0.19 0.03 -0.25 0.00 0.00 175.52 175.29 3i3d h ARG 442 N 1.23 0.00 -0.00 4.72 3.08 -1.48 -1.08 114.38 120.85 3i3d h ARG 442 Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 3i3d h ARG 442 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3i3d h ARG 442 CO -0.07 0.19 -0.00 1.98 -1.07 0.00 0.00 179.97 181.01 3i3d h MET 443 N 0.00 0.00 -0.49 0.04 4.05 -1.52 -2.77 114.93 114.24 3i3d h MET 443 Ca -0.00 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3i3d h MET 443 Cb 0.76 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.53 3i3d h MET 443 CO 0.03 0.60 0.28 0.28 0.23 0.00 0.00 176.91 178.33 3i3d h VAL 444 N -0.60 1.02 -0.11 -5.77 2.07 -1.16 -1.06 116.25 110.64 3i3d h VAL 444 Ca -0.00 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3i3d h VAL 444 Cb 0.60 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3i3d h VAL 444 CO 0.00 0.10 0.07 1.56 0.02 0.00 0.00 177.57 179.32 3i3d h GLN 445 N 0.55 0.08 0.15 1.57 4.20 -1.25 -1.53 115.11 118.87 3i3d h GLN 445 Ca 0.20 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.61 3i3d h GLN 445 Cb 0.05 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.82 3i3d h GLN 445 CO -0.11 0.05 -1.44 -0.09 -0.67 0.00 0.00 178.83 176.58 3i3d h ARG 446 N 0.08 0.32 -0.02 1.46 2.43 -1.08 -2.98 114.38 114.59 3i3d h ARG 446 Ca 0.04 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3i3d h ARG 446 Cb 0.08 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3i3d h ARG 446 CO -0.01 1.26 -0.14 -0.25 -1.51 0.00 0.00 179.97 179.32 3i3d n ASP 447 N -3.84 2.43 0.23 -3.80 8.00 -0.47 -4.27 116.55 114.83 3i3d n ASP 447 Ca -0.23 -1.72 0.13 0.00 0.71 0.00 0.00 54.79 53.68 3i3d n ASP 447 Cb 0.96 0.16 0.68 0.00 -0.02 0.00 0.00 41.12 42.90 3i3d n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3i3d h ARG 448 N 3.43 0.00 -0.02 -1.24 0.11 -1.50 -1.99 114.38 113.17 3i3d h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i3d h ARG 448 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 3i3d h ARG 448 CO 0.00 0.00 -0.18 0.09 0.10 0.00 0.00 179.97 179.98 3i3d n ASN 449 N -2.46 1.93 -4.65 0.08 3.02 -1.26 -4.85 115.26 107.06 3i3d n ASN 449 Ca -0.02 -1.50 -0.42 0.00 -0.03 0.00 0.00 54.58 52.61 3i3d n ASN 449 Cb 0.19 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 3i3d n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i3d s HIS 450 N -2.23 3.33 0.43 3.10 3.76 -0.75 -4.86 115.29 118.06 3i3d s HIS 450 Ca 0.27 1.27 0.11 0.00 -0.15 0.00 0.00 55.06 56.57 3i3d s HIS 450 Cb 0.20 -3.13 0.92 0.00 1.11 0.00 0.00 32.58 31.68 3i3d s HIS 450 CO 0.43 -0.42 2.00 -1.00 -0.85 0.00 0.00 174.74 174.89 3i3d h PRO 451 N 7.57 0.21 0.00 8.40 0.13 -1.87 -2.70 132.00 143.74 3i3d h PRO 451 Ca -0.22 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3i3d h PRO 451 Cb 1.08 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3i3d h PRO 451 CO 0.91 0.27 -0.10 0.66 -0.23 0.00 0.00 178.00 179.52 3i3d h SER 452 N 0.21 0.00 -3.35 1.44 4.64 -1.87 -3.39 113.55 111.23 3i3d h SER 452 Ca 0.05 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.80 3i3d h SER 452 Cb 0.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.25 3i3d h SER 452 CO 0.01 0.10 0.91 -0.69 -0.87 0.00 0.00 176.83 176.29 3i3d s VAL 453 N -4.70 4.30 -0.26 0.95 1.01 -1.02 0.82 120.40 121.51 3i3d s VAL 453 Ca -0.04 1.45 0.07 0.00 0.00 0.00 0.00 61.98 63.46 3i3d s VAL 453 Cb 0.16 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 3i3d s VAL 453 CO 0.65 -0.61 0.26 2.30 0.00 0.00 0.00 175.10 177.71 3i3d n ILE 454 N 6.24 0.00 -3.81 2.22 -5.35 -0.55 -4.91 119.36 113.20 3i3d n ILE 454 Ca 0.13 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 3i3d n ILE 454 Cb 0.47 0.86 -0.13 0.00 -1.74 0.00 0.00 39.64 39.10 3i3d n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3i3d s ILE 455 N -1.83 -0.01 -0.14 7.28 1.01 -1.19 -3.89 121.20 122.43 3i3d s ILE 455 Ca 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 3i3d s ILE 455 Cb 0.05 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 3i3d s ILE 455 CO 0.28 0.01 0.13 0.26 0.00 0.00 0.00 174.94 175.63 3i3d s TRP 456 N 0.29 3.53 -0.09 3.97 0.52 -0.81 -1.28 118.94 125.06 3i3d s TRP 456 Ca -0.02 0.45 0.04 0.00 0.02 0.00 0.00 56.10 56.60 3i3d s TRP 456 Cb -0.03 -2.00 -0.00 0.00 -1.15 0.00 0.00 33.47 30.28 3i3d s TRP 456 CO -0.01 0.59 -0.23 0.45 0.02 0.00 0.00 176.95 177.77 3i3d s SER 457 N -0.60 3.18 0.00 2.95 0.15 0.10 -0.56 113.70 118.93 3i3d s SER 457 Ca 0.13 -0.52 0.19 0.00 0.70 0.00 0.00 55.95 56.45 3i3d s SER 457 Cb -0.12 -1.29 1.14 0.00 -1.71 0.00 0.00 66.02 64.05 3i3d s SER 457 CO 0.02 0.18 1.54 0.18 1.20 0.00 0.00 173.24 176.37 3i3d n LEU 458 N 3.37 0.00 0.00 3.45 4.77 -1.00 -1.03 117.00 126.56 3i3d n LEU 458 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3i3d n LEU 458 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i3d n LEU 458 CO 0.28 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3i3d n GLY 459 N 0.26 0.65 3.34 -0.72 0.00 -1.26 -4.67 105.19 102.79 3i3d n GLY 459 Ca 0.14 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 3i3d n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3d s ASN 460 N -4.00 -0.41 -0.54 1.61 2.47 0.07 -4.76 114.94 109.38 3i3d s ASN 460 Ca 0.00 0.61 -0.04 0.00 0.42 0.00 0.00 52.86 53.85 3i3d s ASN 460 Cb 0.00 0.67 0.01 0.00 -1.45 0.00 0.00 41.25 40.47 3i3d s ASN 460 CO 0.00 -0.32 0.37 -0.62 -3.72 0.00 0.00 177.10 172.81 3i3d n GLU 461 N 2.04 -0.87 -1.32 0.43 1.02 -1.26 -3.97 120.64 116.70 3i3d n GLU 461 Ca -0.17 0.34 0.04 0.00 -0.02 0.00 0.00 57.16 57.35 3i3d n GLU 461 Cb 0.57 -1.30 0.04 0.00 -0.02 0.00 0.00 31.44 30.73 3i3d n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i3d n SER 462 N -1.33 1.04 0.00 1.62 7.64 -1.26 -1.13 113.62 120.20 3i3d n SER 462 Ca -0.18 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.46 3i3d n SER 462 Cb 0.41 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3i3d n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3d n GLY 463 N 0.26 0.94 2.88 0.23 0.00 -1.24 -3.93 105.19 104.33 3i3d n GLY 463 Ca 0.07 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 3i3d n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i3d s HIS 464 N 0.00 1.48 0.31 1.61 2.46 -1.26 -3.54 115.29 116.34 3i3d s HIS 464 Ca 0.00 -0.85 0.05 0.00 0.47 0.00 0.00 55.06 54.73 3i3d s HIS 464 Cb 0.00 -1.22 -0.06 0.00 -0.13 0.00 0.00 32.58 31.17 3i3d s HIS 464 CO 0.00 -0.55 0.01 0.20 -2.47 0.00 0.00 174.74 171.93 3i3d s GLY 465 N 1.71 1.97 0.53 1.59 0.00 -1.26 -4.85 107.32 107.01 3i3d s GLY 465 Ca 0.03 -1.99 0.22 0.00 0.00 0.00 0.00 44.72 42.97 3i3d s GLY 465 CO -0.08 -1.83 2.06 0.00 0.00 0.00 0.00 173.10 173.25 3i3d h ALA 466 N 2.18 2.27 -0.33 3.20 0.00 -1.81 -0.50 119.26 124.27 3i3d h ALA 466 Ca -0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3i3d h ALA 466 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3i3d h ALA 466 CO 0.69 -0.37 0.08 -0.91 0.00 0.00 0.00 179.25 178.74 3i3d h ASN 467 N 0.00 0.43 -0.49 0.00 2.35 -1.71 -2.17 115.58 113.98 3i3d h ASN 467 Ca 0.14 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3i3d h ASN 467 Cb 0.57 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3i3d h ASN 467 CO -0.00 0.44 -0.01 0.45 -1.65 0.00 0.00 177.43 176.66 3i3d h HIS 468 N 0.47 0.95 -0.77 1.19 3.86 -1.26 -1.94 115.15 117.65 3i3d h HIS 468 Ca 0.11 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 3i3d h HIS 468 Cb 0.19 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3i3d h HIS 468 CO 0.01 0.90 0.32 -0.44 0.86 0.00 0.00 177.93 179.57 3i3d h ASP 469 N 0.73 1.06 -0.16 2.45 3.32 -1.39 0.13 116.42 122.57 3i3d h ASP 469 Ca 0.14 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3i3d h ASP 469 Cb 0.52 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3i3d h ASP 469 CO 0.03 0.94 0.03 0.00 -1.72 0.00 0.00 179.24 178.52 3i3d h ALA 470 N 1.16 0.21 -0.03 3.45 0.00 -1.31 -2.23 119.26 120.52 3i3d h ALA 470 Ca 0.26 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3i3d h ALA 470 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i3d h ALA 470 CO -0.02 -0.14 -0.48 -0.07 0.00 0.00 0.00 179.25 178.53 3i3d h LEU 471 N 0.05 0.09 -0.38 0.00 3.38 -1.19 -1.24 115.31 116.01 3i3d h LEU 471 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i3d h LEU 471 Cb 0.28 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3i3d h LEU 471 CO 0.00 0.56 0.18 0.22 0.09 0.00 0.00 178.44 179.49 3i3d h TYR 472 N 0.07 0.56 -0.16 1.13 3.20 -0.63 -2.25 116.97 118.88 3i3d h TYR 472 Ca 0.00 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3i3d h TYR 472 Cb 0.88 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3i3d h TYR 472 CO 0.01 0.47 -0.42 -0.09 -1.64 0.00 0.00 178.16 176.49 3i3d h ARG 473 N 0.48 0.37 -0.44 1.82 9.65 -1.11 -2.58 114.38 122.58 3i3d h ARG 473 Ca 0.13 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3i3d h ARG 473 Cb 0.12 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3i3d h ARG 473 CO -0.02 0.73 0.27 2.35 2.80 0.00 0.00 179.97 186.10 3i3d h TRP 474 N 0.31 0.57 -0.51 2.20 7.01 -0.91 -0.81 115.95 123.81 3i3d h TRP 474 Ca 0.03 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 3i3d h TRP 474 Cb 0.87 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.72 3i3d h TRP 474 CO 0.02 0.39 0.06 0.82 -2.79 0.00 0.00 178.44 176.95 3i3d h ILE 475 N 0.59 1.25 -0.28 2.65 2.04 -1.34 -1.34 117.51 121.07 3i3d h ILE 475 Ca 0.16 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 3i3d h ILE 475 Cb -0.02 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3i3d h ILE 475 CO -0.03 0.35 0.13 0.11 0.00 0.00 0.00 178.15 178.71 3i3d h LYS 476 N 0.73 0.39 -0.02 2.37 1.79 -1.17 0.36 116.57 121.02 3i3d h LYS 476 Ca 0.15 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.49 3i3d h LYS 476 Cb 0.43 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3i3d h LYS 476 CO 0.01 0.31 -0.36 1.03 -1.08 0.00 0.00 179.45 179.36 3i3d h SER 477 N 0.39 0.35 1.37 0.86 0.87 -0.81 -3.28 113.55 113.30 3i3d h SER 477 Ca 0.10 -0.73 -0.10 0.00 -1.23 0.00 0.00 61.79 59.83 3i3d h SER 477 Cb 0.05 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3i3d h SER 477 CO -0.01 1.04 -0.65 -0.37 -0.53 0.00 0.00 176.83 176.30 3i3d h VAL 478 N -0.30 0.62 -1.98 2.23 -1.51 -0.99 -3.42 116.25 110.90 3i3d h VAL 478 Ca -0.04 -1.93 -0.45 0.00 -1.23 0.00 0.00 66.70 63.05 3i3d h VAL 478 Cb 1.08 2.23 -0.32 0.00 -2.13 0.00 0.00 31.29 32.15 3i3d h VAL 478 CO 0.07 0.35 -0.81 -0.62 -1.23 0.00 0.00 177.57 175.33 3i3d s ASP 479 N -6.22 0.74 0.00 4.19 2.15 0.12 -4.97 116.67 112.69 3i3d s ASP 479 Ca 0.03 -2.49 0.23 0.00 0.43 0.00 0.00 52.55 50.74 3i3d s ASP 479 Cb 0.08 0.28 1.37 0.00 -0.30 0.00 0.00 42.92 44.34 3i3d s ASP 479 CO 0.75 -0.16 1.75 -0.81 -0.17 0.00 0.00 175.17 176.54 3i3d n PRO 480 N 3.12 0.76 0.02 4.34 -0.04 -1.24 -3.45 135.00 138.51 3i3d n PRO 480 Ca 0.24 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 3i3d n PRO 480 Cb 0.49 -1.47 0.56 0.00 -0.04 0.00 0.00 33.50 33.04 3i3d n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i3d n SER 481 N -0.97 0.13 -3.99 3.54 3.41 -1.26 -4.79 113.62 109.69 3i3d n SER 481 Ca 0.17 0.51 -0.20 0.00 -0.26 0.00 0.00 58.87 59.10 3i3d n SER 481 Cb 0.08 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.33 3i3d n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3d s ARG 482 N -3.02 0.86 0.70 4.33 0.52 -1.22 -4.13 118.95 116.98 3i3d s ARG 482 Ca 0.13 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 54.92 3i3d s ARG 482 Cb 0.17 -0.81 0.02 0.00 0.52 0.00 0.00 34.95 34.85 3i3d s ARG 482 CO 0.52 0.11 1.11 -2.14 0.02 0.00 0.00 175.30 174.92 3i3d s PRO 483 N 0.17 2.58 -0.11 3.54 0.02 -1.25 -4.80 135.00 135.15 3i3d s PRO 483 Ca -0.02 1.37 0.01 0.00 0.02 0.00 0.00 61.00 62.39 3i3d s PRO 483 Cb -0.08 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 3i3d s PRO 483 CO 0.00 -1.42 -0.16 0.08 -0.33 0.00 0.00 177.00 175.17 3i3d s VAL 484 N -2.44 2.82 0.22 3.83 1.01 -1.26 -1.93 120.40 122.64 3i3d s VAL 484 Ca 0.66 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.95 3i3d s VAL 484 Cb -0.20 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 3i3d s VAL 484 CO 0.45 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 176.01 3i3d s GLN 485 N 0.17 1.36 -0.29 2.72 -2.07 0.28 -0.22 119.66 121.61 3i3d s GLN 485 Ca -0.09 -1.64 -0.16 0.00 -1.82 0.00 0.00 55.36 51.65 3i3d s GLN 485 Cb -0.15 -0.97 0.14 0.00 -1.09 0.00 0.00 33.01 30.93 3i3d s GLN 485 CO 0.05 0.08 0.94 -0.47 -1.32 0.00 0.00 175.29 174.57 3i3d s TYR 486 N -3.11 -0.66 -0.24 9.60 5.04 -1.26 -2.36 117.35 124.37 3i3d s TYR 486 Ca 0.25 1.28 0.20 0.00 -2.44 0.00 0.00 57.07 56.36 3i3d s TYR 486 Cb 0.02 0.39 0.04 0.00 0.35 0.00 0.00 41.96 42.77 3i3d s TYR 486 CO 0.08 -0.33 1.16 1.49 -1.34 0.00 0.00 175.55 176.61 3i3d h GLU 487 N 6.38 0.00 -6.70 4.97 4.22 -1.86 -3.43 114.58 118.16 3i3d h GLU 487 Ca -0.27 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 58.60 3i3d h GLU 487 Cb 1.19 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.57 3i3d h GLU 487 CO 0.18 0.15 0.26 0.41 -2.18 0.00 0.00 179.01 177.82 3i3d n GLY 488 N 1.22 0.01 2.14 1.92 0.00 -1.26 -0.29 105.19 108.94 3i3d n GLY 488 Ca -0.01 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 3i3d n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 489 N 1.08 0.30 0.00 -0.02 0.00 -1.23 -3.99 105.19 101.33 3i3d n GLY 489 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i3d n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 490 N -1.31 0.92 3.71 -0.02 0.00 -1.23 -4.70 105.19 102.57 3i3d n GLY 490 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3i3d n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3d n ALA 491 N -0.44 0.00 -2.47 4.61 0.00 0.61 -4.68 120.51 118.13 3i3d n ALA 491 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i3d n ALA 491 Cb 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 18.64 3i3d n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3d n ASP 492 N -0.06 0.81 -3.47 0.00 5.68 -1.26 -2.28 116.55 115.97 3i3d n ASP 492 Ca 0.00 -2.00 -0.26 0.00 -0.50 0.00 0.00 54.79 52.03 3i3d n ASP 492 Cb 0.03 -0.24 0.21 0.00 -1.14 0.00 0.00 41.12 39.97 3i3d n ASP 492 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3i3d n THR 493 N 0.36 0.00 1.55 2.12 -2.24 -1.26 -4.90 114.28 109.90 3i3d n THR 493 Ca 0.02 -0.53 0.07 0.00 -2.27 0.00 0.00 64.05 61.35 3i3d n THR 493 Cb 1.08 -1.30 0.43 0.00 -2.10 0.00 0.00 70.33 68.43 3i3d n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i3d n THR 494 N -4.28 0.00 -0.80 4.28 -2.24 -1.26 -3.08 114.28 106.90 3i3d n THR 494 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 3i3d n THR 494 Cb 0.50 -0.40 0.28 0.00 -2.10 0.00 0.00 70.33 68.61 3i3d n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3d n ALA 495 N -0.79 3.03 -3.46 6.98 0.00 -1.26 -4.96 120.51 120.05 3i3d n ALA 495 Ca 0.11 -1.96 -0.13 0.00 0.00 0.00 0.00 53.44 51.46 3i3d n ALA 495 Cb 0.05 -0.78 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 3i3d n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i3d s THR 496 N -2.39 -0.03 -1.16 0.00 -1.32 -1.18 -4.12 115.64 105.45 3i3d s THR 496 Ca 0.43 0.10 0.27 0.00 -1.21 0.00 0.00 61.69 61.28 3i3d s THR 496 Cb 0.32 -0.29 0.20 0.00 -1.51 0.00 0.00 72.50 71.22 3i3d s THR 496 CO 0.13 0.04 1.72 0.47 -2.21 0.00 0.00 174.62 174.77 3i3d n ASP 497 N 3.72 0.31 -3.99 8.08 8.00 0.70 -4.81 116.55 128.56 3i3d n ASP 497 Ca -0.20 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.04 3i3d n ASP 497 Cb 0.55 -0.12 -0.16 0.00 -0.02 0.00 0.00 41.12 41.37 3i3d n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i3d s ILE 498 N -2.87 0.83 -0.32 0.53 1.01 -1.26 -4.47 121.20 114.64 3i3d s ILE 498 Ca 0.16 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 3i3d s ILE 498 Cb 0.19 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 3i3d s ILE 498 CO 0.58 0.27 1.53 -0.63 0.00 0.00 0.00 174.94 176.69 3i3d s ILE 499 N 0.46 3.80 -0.53 2.92 1.01 -0.18 -4.69 121.20 123.99 3i3d s ILE 499 Ca -0.08 0.85 0.07 0.00 0.00 0.00 0.00 60.65 61.49 3i3d s ILE 499 Cb -0.12 -3.94 0.30 0.00 0.01 0.00 0.00 42.46 38.71 3i3d s ILE 499 CO 0.01 -0.51 0.79 0.00 0.00 0.00 0.00 174.94 175.23 3i3d s PRO 501 N -2.65 2.16 -0.18 0.00 0.04 -1.26 -3.86 135.00 129.25 3i3d s PRO 501 Ca 0.43 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 3i3d s PRO 501 Cb 0.24 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.88 3i3d s PRO 501 CO -0.09 -1.65 -0.13 0.00 0.04 0.00 0.00 177.00 175.17 3i3d s MET 502 N -4.98 3.21 -1.29 4.56 0.23 -1.26 -2.10 119.30 117.68 3i3d s MET 502 Ca 0.61 -0.73 0.00 0.00 -1.03 0.00 0.00 55.69 54.54 3i3d s MET 502 Cb -0.16 -2.72 0.00 0.00 -1.53 0.00 0.00 34.83 30.41 3i3d s MET 502 CO 0.56 -0.09 0.00 0.66 -2.03 0.00 0.00 175.02 174.12 3i3d n TYR 503 N 4.39 -0.47 -2.48 3.16 4.02 0.13 -4.97 117.16 120.93 3i3d n TYR 503 Ca -0.19 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.30 3i3d n TYR 503 Cb 0.51 -2.86 -0.04 0.00 -0.02 0.00 0.00 39.34 36.93 3i3d n TYR 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i3d s ALA 504 N -2.65 3.36 0.60 -0.72 0.00 -1.26 -4.89 121.76 116.20 3i3d s ALA 504 Ca 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 3i3d s ALA 504 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3i3d s ALA 504 CO 0.00 -0.17 0.90 1.03 0.00 0.00 0.00 175.76 177.52 3i3d s ARG 505 N -1.60 2.75 -0.00 0.00 0.52 -1.26 -4.81 118.95 114.54 3i3d s ARG 505 Ca 0.46 -0.14 -0.24 0.00 -0.52 0.00 0.00 55.73 55.29 3i3d s ARG 505 Cb -0.31 -2.28 -0.15 0.00 0.52 0.00 0.00 34.95 32.73 3i3d s ARG 505 CO 0.39 -0.79 1.08 0.28 0.02 0.00 0.00 175.30 176.29 3i3d h VAL 506 N -0.21 0.48 0.00 3.52 2.07 -1.95 -1.00 116.25 119.17 3i3d h VAL 506 Ca -0.45 -0.60 -0.16 0.00 0.82 0.00 0.00 66.70 66.31 3i3d h VAL 506 Cb 1.27 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3i3d h VAL 506 CO 0.60 0.09 -1.74 0.47 0.02 0.00 0.00 177.57 177.01 3i3d n ASP 507 N -5.16 2.15 -4.69 0.57 8.00 -1.26 -3.34 116.55 112.82 3i3d n ASP 507 Ca -0.09 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.00 3i3d n ASP 507 Cb 0.28 0.97 -0.05 0.00 -0.02 0.00 0.00 41.12 42.31 3i3d n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i3d s GLU 508 N -2.42 4.36 0.28 -1.24 2.12 -1.26 -4.73 118.70 115.81 3i3d s GLU 508 Ca -0.05 0.88 -0.20 0.00 0.36 0.00 0.00 54.97 55.95 3i3d s GLU 508 Cb 0.05 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 3i3d s GLU 508 CO 0.48 -0.11 0.79 -0.51 -0.54 0.00 0.00 175.26 175.38 3i3d s ASP 509 N 0.98 7.04 -0.55 -1.70 1.01 -1.26 -3.77 116.67 118.42 3i3d s ASP 509 Ca 0.36 1.50 0.04 0.00 0.71 0.00 0.00 52.55 55.16 3i3d s ASP 509 Cb -0.17 -2.45 0.16 0.00 1.01 0.00 0.00 42.92 41.47 3i3d s ASP 509 CO 0.15 -0.08 0.39 -1.10 0.21 0.00 0.00 175.17 174.74 3i3d s GLN 510 N -2.33 1.68 -0.40 8.23 -0.21 0.36 -4.92 119.66 122.07 3i3d s GLN 510 Ca 0.49 -2.65 -0.04 0.00 0.02 0.00 0.00 55.36 53.18 3i3d s GLN 510 Cb -0.15 -2.50 -0.07 0.00 1.00 0.00 0.00 33.01 31.29 3i3d s GLN 510 CO 0.20 -1.30 1.82 -0.35 -2.12 0.00 0.00 175.29 173.54 3i3d n PRO 511 N 2.58 1.26 -1.81 2.91 -0.04 -1.26 -0.54 135.00 138.10 3i3d n PRO 511 Ca 0.21 -0.89 -0.38 0.00 -0.04 0.00 0.00 63.50 62.41 3i3d n PRO 511 Cb 0.39 -2.08 0.05 0.00 -0.04 0.00 0.00 33.50 31.82 3i3d n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3d s PHE 512 N 3.13 2.24 0.37 0.54 0.40 -1.26 -4.85 117.98 118.56 3i3d s PHE 512 Ca 0.29 1.43 -0.27 0.00 -0.60 0.00 0.00 56.93 57.78 3i3d s PHE 512 Cb 0.10 -3.72 -0.10 0.00 0.51 0.00 0.00 43.02 39.82 3i3d s PHE 512 CO -0.01 -2.79 1.35 -2.14 0.70 0.00 0.00 175.22 172.33 3i3d s PRO 513 N -3.11 4.13 0.00 0.24 0.02 -1.26 -2.32 135.00 132.71 3i3d s PRO 513 Ca 0.76 2.28 0.00 0.00 0.02 0.00 0.00 61.00 64.05 3i3d s PRO 513 Cb -0.38 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3i3d s PRO 513 CO 0.43 -0.40 0.00 0.00 -0.33 0.00 0.00 177.00 176.70 3i3d n ALA 514 N 0.44 0.00 -3.11 -1.55 0.00 -1.26 -4.50 120.51 110.53 3i3d n ALA 514 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 3i3d n ALA 514 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 3i3d n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i3d n VAL 515 N 0.00 1.15 -1.97 0.00 0.24 -1.23 -4.78 118.33 111.74 3i3d n VAL 515 Ca 0.00 -4.96 -0.36 0.00 -2.04 0.00 0.00 64.34 56.99 3i3d n VAL 515 Cb 0.00 -0.91 0.04 0.00 -1.47 0.00 0.00 33.84 31.49 3i3d n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i3d s PRO 516 N -2.73 2.92 -0.59 7.34 0.04 -0.98 -4.58 135.00 136.42 3i3d s PRO 516 Ca 0.43 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 3i3d s PRO 516 Cb 0.30 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 33.07 3i3d s PRO 516 CO -0.10 -1.23 0.42 0.15 0.04 0.00 0.00 177.00 176.27 3i3d s LYS 517 N -3.41 2.55 0.66 4.56 1.02 0.30 -4.87 119.74 120.55 3i3d s LYS 517 Ca 0.76 -2.31 -0.13 0.00 0.02 0.00 0.00 55.97 54.31 3i3d s LYS 517 Cb -0.29 -3.79 -0.01 0.00 -0.52 0.00 0.00 37.83 33.22 3i3d s LYS 517 CO 0.34 -1.17 1.07 -1.58 -0.92 0.00 0.00 175.35 173.09 3i3d s TRP 518 N 0.33 2.96 0.30 3.18 0.52 -1.26 -0.49 118.94 124.49 3i3d s TRP 518 Ca 0.14 1.49 -0.29 0.00 0.02 0.00 0.00 56.10 57.46 3i3d s TRP 518 Cb -0.20 -2.98 -0.13 0.00 -1.15 0.00 0.00 33.47 29.01 3i3d s TRP 518 CO -0.04 -1.28 1.31 0.45 0.02 0.00 0.00 176.95 177.42 3i3d n SER 519 N -2.64 2.68 0.09 2.95 2.88 -1.25 -4.38 113.62 113.95 3i3d n SER 519 Ca 0.08 1.18 0.03 0.00 -1.33 0.00 0.00 58.87 58.84 3i3d n SER 519 Cb 0.53 -1.45 0.41 0.00 -0.75 0.00 0.00 64.21 62.94 3i3d n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3i3d h ILE 520 N 2.69 1.15 -0.61 2.46 3.07 -1.17 0.13 117.51 125.22 3i3d h ILE 520 Ca -0.45 -0.57 -0.10 0.00 1.55 0.00 0.00 64.86 65.29 3i3d h ILE 520 Cb 1.28 0.99 -0.02 0.00 -0.27 0.00 0.00 36.82 38.80 3i3d h ILE 520 CO 0.67 0.19 -0.00 0.11 -1.05 0.00 0.00 178.15 178.07 3i3d h LYS 521 N 0.32 1.07 -0.05 0.16 1.57 -1.84 -3.10 116.57 114.70 3i3d h LYS 521 Ca 0.07 -0.34 -0.22 0.00 -1.87 0.00 0.00 60.65 58.29 3i3d h LYS 521 Cb 0.23 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.45 3i3d h LYS 521 CO 0.01 1.05 -0.87 -0.22 -0.57 0.00 0.00 179.45 178.84 3i3d h LYS 522 N 0.98 0.56 -0.65 3.15 3.64 -1.64 -3.31 116.57 119.30 3i3d h LYS 522 Ca 0.17 -0.53 0.10 0.00 -1.27 0.00 0.00 60.65 59.12 3i3d h LYS 522 Cb 0.56 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 3i3d h LYS 522 CO 0.03 1.15 0.27 2.35 -2.27 0.00 0.00 179.45 180.99 3i3d h TRP 523 N 0.35 0.48 -1.00 1.91 2.91 -0.70 -2.50 115.95 117.40 3i3d h TRP 523 Ca -0.07 0.03 0.15 0.00 1.13 0.00 0.00 58.89 60.13 3i3d h TRP 523 Cb 1.50 -0.12 -0.09 0.00 -0.51 0.00 0.00 29.16 29.94 3i3d h TRP 523 CO 0.07 0.14 0.62 -0.07 -1.03 0.00 0.00 178.44 178.17 3i3d h LEU 524 N 0.47 0.85 -2.87 0.65 3.38 -1.62 -2.80 115.31 113.38 3i3d h LEU 524 Ca 0.33 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3i3d h LEU 524 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i3d h LEU 524 CO -0.30 0.40 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 3i3d n SER 525 N -4.66 4.43 -4.77 -0.43 3.41 -0.95 -4.55 113.62 106.10 3i3d n SER 525 Ca 0.20 -2.46 -0.40 0.00 -0.26 0.00 0.00 58.87 55.95 3i3d n SER 525 Cb 0.44 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.84 3i3d n SER 525 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i3d s LEU 526 N -1.80 4.12 -0.47 1.04 1.43 -1.06 -4.79 118.68 117.15 3i3d s LEU 526 Ca 0.46 2.83 -0.45 0.00 -1.03 0.00 0.00 54.13 55.93 3i3d s LEU 526 Cb 0.30 -3.95 -0.19 0.00 0.03 0.00 0.00 46.19 42.38 3i3d s LEU 526 CO 0.21 -1.11 1.74 -2.65 0.23 0.00 0.00 176.35 174.77 3i3d n PRO 527 N -0.16 0.17 -0.11 1.29 -0.02 -1.26 -0.28 135.00 134.63 3i3d n PRO 527 Ca 0.05 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3i3d n PRO 527 Cb 0.43 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3i3d n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i3d n GLY 528 N 4.78 1.95 3.76 -1.23 0.00 -1.26 -5.04 105.19 108.15 3i3d n GLY 528 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 3i3d n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3d s GLU 529 N -0.29 4.73 0.00 1.61 2.56 0.61 -4.92 118.70 123.01 3i3d s GLU 529 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 54.97 56.33 3i3d s GLU 529 Cb 0.00 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.84 3i3d s GLU 529 CO 0.00 0.49 0.00 0.25 -0.56 0.00 0.00 175.26 175.44 3i3d n THR 530 N 1.74 0.00 -1.62 -1.70 -2.24 -1.26 -4.77 114.28 104.43 3i3d n THR 530 Ca -0.03 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 3i3d n THR 530 Cb 0.48 1.09 0.06 0.00 -2.10 0.00 0.00 70.33 69.86 3i3d n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i3d s ARG 531 N 0.00 2.69 0.67 -0.78 0.52 -1.26 -3.79 118.95 116.99 3i3d s ARG 531 Ca 0.00 1.28 -0.11 0.00 -0.52 0.00 0.00 55.73 56.38 3i3d s ARG 531 Cb 0.00 -1.94 -0.01 0.00 0.52 0.00 0.00 34.95 33.52 3i3d s ARG 531 CO 0.00 -1.32 1.05 -1.25 0.02 0.00 0.00 175.30 173.80 3i3d s PRO 532 N -4.40 3.12 -0.13 3.54 0.04 -1.11 -4.78 135.00 131.28 3i3d s PRO 532 Ca 0.64 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.63 3i3d s PRO 532 Cb -0.19 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3i3d s PRO 532 CO 0.46 -0.95 -0.18 -1.17 0.04 0.00 0.00 177.00 175.21 3i3d s LEU 533 N -5.37 1.87 -0.11 -3.56 0.20 0.08 -1.01 118.68 110.78 3i3d s LEU 533 Ca 0.58 -0.52 -0.03 0.00 0.69 0.00 0.00 54.13 54.85 3i3d s LEU 533 Cb -0.13 -1.26 0.04 0.00 -0.43 0.00 0.00 46.19 44.41 3i3d s LEU 533 CO 0.53 0.02 0.06 -0.63 -0.29 0.00 0.00 176.35 176.04 3i3d s ILE 534 N 1.08 0.06 0.05 6.68 1.01 -0.23 -1.34 121.20 128.51 3i3d s ILE 534 Ca -0.03 0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.36 3i3d s ILE 534 Cb -0.14 -0.47 -0.07 0.00 0.01 0.00 0.00 42.46 41.78 3i3d s ILE 534 CO -0.05 -0.02 1.54 -0.76 0.00 0.00 0.00 174.94 175.65 3i3d s LEU 535 N 2.09 4.35 0.47 2.97 1.02 -0.82 -4.00 118.68 124.75 3i3d s LEU 535 Ca 0.03 2.33 0.26 0.00 0.02 0.00 0.00 54.13 56.78 3i3d s LEU 535 Cb -0.14 -3.56 0.94 0.00 0.02 0.00 0.00 46.19 43.45 3i3d s LEU 535 CO -0.06 -0.81 1.83 0.00 0.02 0.00 0.00 176.35 177.33 3i3d s GLU 537 N -3.57 0.44 0.18 0.00 2.02 -1.23 -4.30 118.70 112.25 3i3d s GLU 537 Ca 0.02 0.81 -0.23 0.00 0.02 0.00 0.00 54.97 55.59 3i3d s GLU 537 Cb 0.09 0.03 0.06 0.00 0.10 0.00 0.00 34.13 34.41 3i3d s GLU 537 CO 0.62 -0.15 0.68 1.52 0.02 0.00 0.00 175.26 177.95 3i3d s TYR 538 N 1.28 -0.40 -1.06 1.61 -0.85 -0.87 0.17 117.35 117.23 3i3d s TYR 538 Ca -0.08 0.12 -0.12 0.00 -0.52 0.00 0.00 57.07 56.47 3i3d s TYR 538 Cb -0.07 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 3i3d s TYR 538 CO -0.12 -0.93 0.85 0.00 -1.52 0.00 0.00 175.55 173.83 3i3d n ALA 539 N -0.39 -2.53 -1.50 9.51 0.00 -1.26 -1.75 120.51 122.60 3i3d n ALA 539 Ca -0.12 -0.04 -0.48 0.00 0.00 0.00 0.00 53.44 52.80 3i3d n ALA 539 Cb 0.63 -4.75 -0.06 0.00 0.00 0.00 0.00 19.45 15.27 3i3d n ALA 539 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i3d n HIS 540 N -3.54 1.73 -1.03 0.00 -0.00 -0.70 -4.00 115.22 107.68 3i3d n HIS 540 Ca -0.08 0.14 -0.18 0.00 0.46 0.00 0.00 57.72 58.07 3i3d n HIS 540 Cb 0.60 -2.60 -0.00 0.00 -0.12 0.00 0.00 29.99 27.87 3i3d n HIS 540 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i3d n ALA 541 N 10.38 5.47 -2.41 1.57 0.00 0.52 -4.37 120.51 131.66 3i3d n ALA 541 Ca 0.37 -1.91 -0.43 0.00 0.00 0.00 0.00 53.44 51.47 3i3d n ALA 541 Cb 0.30 -1.61 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 3i3d n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3d s ALA 542 N -1.47 3.16 0.00 0.00 0.00 -1.26 -3.86 121.76 118.33 3i3d s ALA 542 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3i3d s ALA 542 Cb 0.27 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3i3d s ALA 542 CO -0.06 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 173.92 3i3d n GLY 543 N 4.81 2.41 3.56 0.00 0.00 -1.26 -4.09 105.19 110.62 3i3d n GLY 543 Ca 0.15 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3i3d n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3d s ASN 544 N -4.00 5.47 0.00 1.61 3.84 -1.26 -4.85 114.94 115.76 3i3d s ASN 544 Ca 0.00 -0.63 0.00 0.00 0.21 0.00 0.00 52.86 52.44 3i3d s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3i3d s ASN 544 CO 0.00 -2.40 0.00 -0.24 -2.79 0.00 0.00 177.10 171.67 3i3d n SER 545 N 12.56 0.14 -0.29 -4.21 2.88 -1.26 -4.75 113.62 118.70 3i3d n SER 545 Ca 0.33 -0.06 -0.03 0.00 -1.33 0.00 0.00 58.87 57.78 3i3d n SER 545 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 3i3d n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3i3d n LEU 546 N 0.00 -0.43 -4.71 2.46 7.94 -1.20 -4.80 117.00 116.26 3i3d n LEU 546 Ca 0.00 0.07 -0.42 0.00 -1.11 0.00 0.00 56.01 54.55 3i3d n LEU 546 Cb 0.00 -0.89 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 3i3d n LEU 546 CO 0.00 -0.15 0.91 -0.83 -1.11 0.00 0.00 177.39 176.21 3i3d s GLY 547 N -2.94 2.32 0.00 -3.96 0.00 0.03 -2.65 107.32 100.12 3i3d s GLY 547 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3i3d s GLY 547 CO 0.00 2.10 0.00 0.61 0.00 0.00 0.00 173.10 175.81 3i3d n GLY 548 N 3.27 0.80 0.34 0.20 0.00 0.83 -4.00 105.19 106.63 3i3d n GLY 548 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3i3d n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i3d h PHE 549 N 0.00 1.18 -0.10 1.61 3.57 -1.69 -2.60 116.94 118.92 3i3d h PHE 549 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3i3d h PHE 549 Cb 0.00 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.37 3i3d h PHE 549 CO 0.00 0.87 0.07 0.00 -2.23 0.00 0.00 178.31 177.02 3i3d h ALA 550 N 1.20 1.95 -0.69 2.41 0.00 -1.86 -1.98 119.26 120.28 3i3d h ALA 550 Ca 0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3i3d h ALA 550 Cb 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3i3d h ALA 550 CO -0.03 0.05 0.25 -0.22 0.00 0.00 0.00 179.25 179.29 3i3d h LYS 551 N 0.12 1.03 0.15 0.00 3.64 -1.86 -1.49 116.57 118.17 3i3d h LYS 551 Ca 0.04 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3i3d h LYS 551 Cb 0.01 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3i3d h LYS 551 CO -0.01 0.86 -0.07 1.88 -2.27 0.00 0.00 179.45 179.84 3i3d h TYR 552 N 1.00 -0.19 -0.24 1.91 -1.99 -1.41 -2.72 116.97 113.32 3i3d h TYR 552 Ca 0.23 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.94 3i3d h TYR 552 Cb 0.23 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 3i3d h TYR 552 CO 0.02 0.06 0.08 -1.49 -0.00 0.00 0.00 178.16 176.83 3i3d h TRP 553 N -0.43 0.33 -0.49 4.88 4.06 -1.42 0.17 115.95 123.06 3i3d h TRP 553 Ca -0.02 -0.01 -0.09 0.00 2.06 0.00 0.00 58.89 60.83 3i3d h TRP 553 Cb 0.34 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 3i3d h TRP 553 CO -0.00 0.28 -0.08 0.37 -3.56 0.00 0.00 178.44 175.45 3i3d h GLN 554 N 0.34 0.87 -0.35 0.49 4.15 -1.22 -1.76 115.11 117.62 3i3d h GLN 554 Ca 0.09 -0.28 -0.12 0.00 0.77 0.00 0.00 58.65 59.10 3i3d h GLN 554 Cb 0.10 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3i3d h GLN 554 CO -0.01 0.91 -0.26 0.00 -1.93 0.00 0.00 178.83 177.55 3i3d h ALA 555 N 1.12 0.50 -0.91 3.38 0.00 -0.90 -2.26 119.26 120.20 3i3d h ALA 555 Ca 0.14 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3i3d h ALA 555 Cb 0.58 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3i3d h ALA 555 CO 0.04 0.50 0.60 0.74 0.00 0.00 0.00 179.25 181.13 3i3d h PHE 556 N 0.58 1.13 0.02 0.00 0.04 -0.46 -1.62 116.94 116.62 3i3d h PHE 556 Ca 0.07 0.03 -0.21 0.00 2.80 0.00 0.00 57.97 60.66 3i3d h PHE 556 Cb 0.83 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3i3d h PHE 556 CO 0.06 0.69 -0.95 0.00 -0.60 0.00 0.00 178.31 177.51 3i3d h ARG 557 N 1.20 0.13 0.04 1.51 3.08 -1.25 -3.31 114.38 115.77 3i3d h ARG 557 Ca 0.34 -0.16 -0.22 0.00 0.07 0.00 0.00 59.98 60.00 3i3d h ARG 557 Cb -0.09 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3i3d h ARG 557 CO -0.08 0.98 -1.03 0.37 -1.07 0.00 0.00 179.97 179.14 3i3d h GLN 558 N 0.06 0.11 -4.79 0.04 4.15 -1.21 -3.44 115.11 110.04 3i3d h GLN 558 Ca -0.04 -0.17 -0.67 0.00 0.77 0.00 0.00 58.65 58.53 3i3d h GLN 558 Cb 1.63 0.06 -0.20 0.00 0.21 0.00 0.00 27.48 29.17 3i3d h GLN 558 CO 0.14 1.04 -0.53 0.71 -1.93 0.00 0.00 178.83 178.26 3i3d s TYR 559 N -2.83 3.19 0.17 3.99 1.51 -0.63 -5.00 117.35 117.76 3i3d s TYR 559 Ca -0.01 -0.33 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 3i3d s TYR 559 Cb 0.09 -2.39 0.12 0.00 -0.11 0.00 0.00 41.96 39.67 3i3d s TYR 559 CO 0.84 -0.37 1.71 -1.35 -1.11 0.00 0.00 175.55 175.27 3i3d h PRO 560 N 8.39 0.15 0.00 -1.71 0.11 -1.85 -2.40 132.00 134.69 3i3d h PRO 560 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3i3d h PRO 560 Cb 1.16 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i3d h PRO 560 CO 0.61 0.10 0.00 0.54 -0.21 0.00 0.00 178.00 179.04 3i3d n ARG 561 N -5.15 0.30 -3.10 1.05 1.74 -1.26 -4.34 116.66 105.91 3i3d n ARG 561 Ca 0.03 0.06 -0.44 0.00 -0.77 0.00 0.00 57.85 56.73 3i3d n ARG 561 Cb 0.20 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 3i3d n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i3d s LEU 562 N -2.62 5.21 -0.42 0.55 1.43 -0.91 -0.74 118.68 121.19 3i3d s LEU 562 Ca 0.21 -1.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.08 3i3d s LEU 562 Cb 0.16 -2.34 0.61 0.00 0.03 0.00 0.00 46.19 44.64 3i3d s LEU 562 CO 0.37 -1.10 1.79 0.00 0.23 0.00 0.00 176.35 177.64 3i3d n GLN 563 N 6.42 2.19 0.00 1.70 6.02 -0.45 -4.64 117.38 128.62 3i3d n GLN 563 Ca -0.08 -3.10 0.00 0.00 -0.01 0.00 0.00 57.00 53.80 3i3d n GLN 563 Cb 0.43 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.60 3i3d n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3d n GLY 564 N -1.12 -0.63 0.00 1.08 0.00 -1.26 -0.07 105.19 103.19 3i3d n GLY 564 Ca 0.53 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3i3d n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 565 N 0.00 -0.97 3.16 -0.02 0.00 -0.96 -1.94 105.19 104.46 3i3d n GLY 565 Ca 0.00 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3i3d n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3d s PHE 566 N -2.00 2.95 0.69 1.61 0.40 0.10 -1.48 117.98 120.25 3i3d s PHE 566 Ca 0.00 -1.63 -0.17 0.00 -0.60 0.00 0.00 56.93 54.53 3i3d s PHE 566 Cb 0.00 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.56 3i3d s PHE 566 CO 0.00 -0.76 1.25 0.28 0.70 0.00 0.00 175.22 176.69 3i3d n VAL 567 N 4.63 4.21 -3.97 -0.44 0.31 -0.24 -2.05 118.33 120.78 3i3d n VAL 567 Ca -0.18 -0.43 -0.31 0.00 -0.01 0.00 0.00 64.34 63.41 3i3d n VAL 567 Cb 0.48 -1.41 -0.15 0.00 -0.91 0.00 0.00 33.84 31.85 3i3d n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3i3d s TRP 568 N -1.57 3.10 0.00 3.52 -0.11 -0.72 -0.50 118.94 122.66 3i3d s TRP 568 Ca 0.80 -2.44 0.00 0.00 1.22 0.00 0.00 56.10 55.68 3i3d s TRP 568 Cb -0.36 -2.29 0.00 0.00 -1.50 0.00 0.00 33.47 29.32 3i3d s TRP 568 CO 0.43 -0.89 0.00 -0.40 -4.62 0.00 0.00 176.95 171.47 3i3d n ASP 569 N 4.46 0.00 0.05 5.86 5.75 0.71 -0.36 116.55 133.02 3i3d n ASP 569 Ca -0.04 -0.10 -0.10 0.00 -0.01 0.00 0.00 54.79 54.55 3i3d n ASP 569 Cb 0.42 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 3i3d n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3i3d h TRP 570 N 0.10 -0.21 -4.05 2.11 2.91 -1.22 -1.58 115.95 114.01 3i3d h TRP 570 Ca 0.00 -0.00 -0.46 0.00 1.13 0.00 0.00 58.89 59.55 3i3d h TRP 570 Cb 0.00 0.07 -0.30 0.00 -0.51 0.00 0.00 29.16 28.42 3i3d h TRP 570 CO 0.00 0.19 -0.80 0.54 -1.03 0.00 0.00 178.44 177.34 3i3d s VAL 571 N -3.19 0.99 0.24 2.65 0.11 -1.26 -1.32 120.40 118.63 3i3d s VAL 571 Ca -0.11 -0.51 -0.31 0.00 -2.93 0.00 0.00 61.98 58.11 3i3d s VAL 571 Cb 0.00 -0.84 -0.12 0.00 -1.53 0.00 0.00 36.38 33.89 3i3d s VAL 571 CO 0.42 0.29 1.61 0.47 -3.33 0.00 0.00 175.10 174.56 3i3d n ASP 572 N 2.94 3.65 -2.78 3.54 8.00 -0.86 -4.34 116.55 126.69 3i3d n ASP 572 Ca -0.15 1.11 -0.30 0.00 0.71 0.00 0.00 54.79 56.16 3i3d n ASP 572 Cb 0.55 -1.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.06 3i3d n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3d n GLN 573 N 2.87 3.08 -3.48 -1.24 6.02 -0.30 -4.05 117.38 120.28 3i3d n GLN 573 Ca 0.12 -2.57 -0.32 0.00 -0.01 0.00 0.00 57.00 54.22 3i3d n GLN 573 Cb 0.34 -2.30 -0.05 0.00 1.02 0.00 0.00 30.24 29.25 3i3d n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i3d s SER 574 N 0.55 6.60 0.05 1.08 1.04 -1.26 -4.77 113.70 116.99 3i3d s SER 574 Ca 0.58 0.84 0.08 0.00 0.48 0.00 0.00 55.95 57.93 3i3d s SER 574 Cb 0.31 -2.19 -0.03 0.00 0.10 0.00 0.00 66.02 64.21 3i3d s SER 574 CO -0.16 -0.02 -0.20 -0.76 0.98 0.00 0.00 173.24 173.08 3i3d s LEU 575 N -2.69 2.53 -0.00 2.42 1.43 -0.01 -4.36 118.68 117.99 3i3d s LEU 575 Ca 0.45 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 3i3d s LEU 575 Cb -0.12 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3i3d s LEU 575 CO 0.22 0.25 0.82 -0.63 0.23 0.00 0.00 176.35 177.24 3i3d s ILE 576 N -0.91 4.87 0.34 -0.59 1.01 -1.00 0.66 121.20 125.57 3i3d s ILE 576 Ca 0.14 1.72 0.04 0.00 0.00 0.00 0.00 60.65 62.55 3i3d s ILE 576 Cb -0.10 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 3i3d s ILE 576 CO 0.05 0.26 0.06 -0.54 0.00 0.00 0.00 174.94 174.77 3i3d s LYS 577 N 0.56 1.71 0.01 2.79 1.02 -0.38 -4.94 119.74 120.51 3i3d s LYS 577 Ca 0.43 -1.97 0.04 0.00 0.02 0.00 0.00 55.97 54.49 3i3d s LYS 577 Cb -0.20 -0.91 -0.01 0.00 -0.52 0.00 0.00 37.83 36.19 3i3d s LYS 577 CO 0.23 -0.21 -0.13 0.71 -0.92 0.00 0.00 175.35 175.03 3i3d s TYR 578 N -3.24 1.17 0.82 3.18 1.51 -1.26 -0.77 117.35 118.75 3i3d s TYR 578 Ca 0.34 -0.27 -0.05 0.00 -1.01 0.00 0.00 57.07 56.08 3i3d s TYR 578 Cb 0.08 -0.73 0.17 0.00 -0.11 0.00 0.00 41.96 41.37 3i3d s TYR 578 CO 0.15 0.00 1.12 0.16 -1.11 0.00 0.00 175.55 175.87 3i3d s ASP 579 N -0.63 3.80 0.28 2.29 1.47 -0.40 -4.85 116.67 118.62 3i3d s ASP 579 Ca 0.03 -0.30 -0.01 0.00 1.18 0.00 0.00 52.55 53.45 3i3d s ASP 579 Cb -0.06 0.12 0.62 0.00 -0.34 0.00 0.00 42.92 43.26 3i3d s ASP 579 CO 0.00 -2.25 1.62 -0.33 0.68 0.00 0.00 175.17 174.90 3i3d h GLU 580 N -0.93 0.11 0.00 2.11 5.08 -2.02 0.90 114.58 119.83 3i3d h GLU 580 Ca -0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3i3d h GLU 580 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3i3d h GLU 580 CO 0.36 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 3i3d n ASN 581 N -5.34 0.00 0.00 1.42 3.02 -1.26 -4.85 115.26 108.25 3i3d n ASN 581 Ca 0.19 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3i3d n ASN 581 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 3i3d n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3d n GLY 582 N 0.55 0.57 3.74 7.41 0.00 0.31 -5.00 105.19 112.77 3i3d n GLY 582 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3i3d n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3d s ASN 583 N -2.31 7.23 0.35 1.61 0.01 -1.26 -4.68 114.94 115.90 3i3d s ASN 583 Ca 0.00 2.09 -0.25 0.00 -0.71 0.00 0.00 52.86 53.99 3i3d s ASN 583 Cb 0.00 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.96 3i3d s ASN 583 CO 0.00 -0.26 0.97 -2.16 -1.51 0.00 0.00 177.10 174.14 3i3d s PRO 584 N -0.20 4.48 0.03 -0.60 0.04 -1.26 -1.28 135.00 136.21 3i3d s PRO 584 Ca 0.51 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 3i3d s PRO 584 Cb -0.30 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.54 3i3d s PRO 584 CO 0.34 0.17 0.22 1.67 0.04 0.00 0.00 177.00 179.45 3i3d s TRP 585 N -1.66 -0.00 -0.08 0.56 1.48 0.05 -4.96 118.94 114.33 3i3d s TRP 585 Ca 0.52 -0.16 -0.26 0.00 -1.06 0.00 0.00 56.10 55.15 3i3d s TRP 585 Cb -0.19 0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.10 3i3d s TRP 585 CO 0.24 -0.43 0.83 -1.12 -4.06 0.00 0.00 176.95 172.41 3i3d s SER 586 N -1.95 7.11 0.20 -2.66 0.01 -1.26 -1.24 113.70 113.91 3i3d s SER 586 Ca -0.07 1.34 0.10 0.00 1.31 0.00 0.00 55.95 58.64 3i3d s SER 586 Cb -0.02 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 3i3d s SER 586 CO -0.02 -0.25 -0.16 0.00 0.41 0.00 0.00 173.24 173.21 3i3d s ALA 587 N 1.28 2.76 0.00 1.44 0.00 0.21 -4.92 121.76 122.53 3i3d s ALA 587 Ca 0.43 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3i3d s ALA 587 Cb -0.18 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3i3d s ALA 587 CO 0.19 0.42 0.00 2.48 0.00 0.00 0.00 175.76 178.85 3i3d n TYR 588 N -0.00 0.00 -1.64 0.00 0.18 -1.26 -0.83 117.16 113.61 3i3d n TYR 588 Ca -0.11 0.00 -0.61 0.00 1.88 0.00 0.00 57.90 59.06 3i3d n TYR 588 Cb 0.56 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.44 3i3d n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i3d n GLY 589 N 1.78 0.15 1.48 -7.48 0.00 0.10 -1.65 105.19 99.57 3i3d n GLY 589 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3i3d n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 590 N 2.95 2.75 0.00 -0.02 0.00 -1.26 -3.92 105.19 105.69 3i3d n GLY 590 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.32 3i3d n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3d n ASP 591 N 0.00 0.00 -0.04 1.61 8.00 -0.66 -2.20 116.55 123.26 3i3d n ASP 591 Ca 0.00 -0.86 0.05 0.00 0.71 0.00 0.00 54.79 54.69 3i3d n ASP 591 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 3i3d n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i3d n PHE 592 N -0.77 0.00 -0.69 1.24 3.01 -1.26 -4.94 117.46 114.05 3i3d n PHE 592 Ca 0.08 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.80 3i3d n PHE 592 Cb 0.03 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 3i3d n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i3d n GLY 593 N -0.95 1.31 3.73 1.37 0.00 -0.94 -4.83 105.19 104.87 3i3d n GLY 593 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3i3d n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i3d s ASP 594 N -3.17 6.66 -0.28 1.61 -4.77 -1.26 -5.00 116.67 110.47 3i3d s ASP 594 Ca 0.00 2.57 -0.24 0.00 -3.30 0.00 0.00 52.55 51.58 3i3d s ASP 594 Cb 0.00 -2.60 0.10 0.00 -1.09 0.00 0.00 42.92 39.33 3i3d s ASP 594 CO 0.00 -0.75 0.87 0.28 0.70 0.00 0.00 175.17 176.27 3i3d s THR 595 N 0.79 0.00 1.05 2.11 -1.32 -1.26 -4.23 115.64 112.78 3i3d s THR 595 Ca 0.66 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 61.02 3i3d s THR 595 Cb -0.42 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 69.79 3i3d s THR 595 CO 0.34 0.00 1.07 -2.16 -2.21 0.00 0.00 174.62 171.66 3i3d s PRO 596 N 0.50 0.04 0.24 7.08 0.04 -1.26 -5.16 135.00 136.47 3i3d s PRO 596 Ca -0.00 0.84 -0.15 0.00 0.04 0.00 0.00 61.00 61.73 3i3d s PRO 596 Cb -0.05 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 32.83 3i3d s PRO 596 CO -0.05 -3.08 0.52 0.54 0.04 0.00 0.00 177.00 174.97 3i3d s ASN 597 N -2.93 -0.15 -0.29 6.66 2.20 -1.26 -4.76 114.94 114.41 3i3d s ASN 597 Ca 0.66 -0.78 0.08 0.00 -0.94 0.00 0.00 52.86 51.89 3i3d s ASN 597 Cb -0.22 0.60 0.46 0.00 -2.00 0.00 0.00 41.25 40.10 3i3d s ASN 597 CO 0.61 -1.15 1.34 0.47 -2.94 0.00 0.00 177.10 175.43 3i3d n ASP 598 N -0.38 3.19 0.00 3.54 8.00 -0.47 -4.96 116.55 125.47 3i3d n ASP 598 Ca -0.04 -3.82 0.00 0.00 0.71 0.00 0.00 54.79 51.64 3i3d n ASP 598 Cb 0.61 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3i3d n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3i3d n ARG 599 N -1.00 0.00 0.00 -1.24 1.85 -1.25 -1.42 116.66 113.59 3i3d n ARG 599 Ca 0.33 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.28 3i3d n ARG 599 Cb 0.88 0.00 0.57 0.00 -1.05 0.00 0.00 32.46 32.86 3i3d n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i3d n GLN 600 N 10.77 0.50 0.00 2.89 0.00 -1.26 -0.72 117.38 129.56 3i3d n GLN 600 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 57.00 57.07 3i3d n GLN 600 Cb 0.00 -1.50 0.18 0.00 0.00 0.00 0.00 30.24 28.92 3i3d n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3i3d n PHE 601 N -1.11 0.00 1.12 2.61 3.01 -0.51 -1.00 117.46 121.57 3i3d n PHE 601 Ca 0.13 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.71 3i3d n PHE 601 Cb 0.10 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 39.76 3i3d n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i3d s MET 603 N -2.11 1.84 -0.03 0.00 -1.94 -0.17 -1.14 119.30 115.74 3i3d s MET 603 Ca 0.28 -1.76 0.22 0.00 -1.71 0.00 0.00 55.69 52.71 3i3d s MET 603 Cb 0.20 -3.35 0.37 0.00 2.01 0.00 0.00 34.83 34.06 3i3d s MET 603 CO 0.37 -0.94 1.15 0.09 -0.01 0.00 0.00 175.02 175.67 3i3d n ASN 604 N 4.44 0.71 -4.93 3.03 4.13 -1.26 -4.18 115.26 117.20 3i3d n ASN 604 Ca -0.01 -2.01 -0.25 0.00 1.68 0.00 0.00 54.58 53.99 3i3d n ASN 604 Cb 0.42 -0.21 0.01 0.00 -1.54 0.00 0.00 39.78 38.46 3i3d n ASN 604 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3i3d s GLY 605 N -2.01 1.53 0.45 7.41 0.00 -1.25 -0.21 107.32 113.24 3i3d s GLY 605 Ca 0.28 -0.85 0.24 0.00 0.00 0.00 0.00 44.72 44.39 3i3d s GLY 605 CO -0.13 -0.67 1.66 1.41 0.00 0.00 0.00 173.10 175.37 3i3d h LEU 606 N 0.28 0.00 -8.58 0.66 3.38 -0.14 -3.44 115.31 107.47 3i3d h LEU 606 Ca -0.47 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 3i3d h LEU 606 Cb 1.24 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.81 3i3d h LEU 606 CO 0.59 0.00 -0.75 0.68 0.09 0.00 0.00 178.44 179.06 3i3d s VAL 607 N -3.27 1.23 0.93 1.22 -7.23 -0.89 -0.04 120.40 112.35 3i3d s VAL 607 Ca 0.06 -1.75 -0.12 0.00 -1.81 0.00 0.00 61.98 58.36 3i3d s VAL 607 Cb 0.06 -1.54 0.15 0.00 0.56 0.00 0.00 36.38 35.60 3i3d s VAL 607 CO 0.65 -0.49 1.10 -0.36 -0.31 0.00 0.00 175.10 175.69 3i3d s PHE 608 N -2.37 2.31 0.53 2.82 0.40 0.26 -2.03 117.98 119.90 3i3d s PHE 608 Ca 0.09 1.10 0.28 0.00 -0.60 0.00 0.00 56.93 57.80 3i3d s PHE 608 Cb -0.03 -3.22 1.42 0.00 0.51 0.00 0.00 43.02 41.70 3i3d s PHE 608 CO 0.02 -2.51 1.94 0.00 0.70 0.00 0.00 175.22 175.37 3i3d h ALA 609 N -1.62 2.66 -0.34 5.36 0.00 -1.88 0.38 119.26 123.82 3i3d h ALA 609 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3i3d h ALA 609 Cb 1.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i3d h ALA 609 CO 0.57 -0.87 0.00 -0.40 0.00 0.00 0.00 179.25 178.55 3i3d n ASP 610 N -4.33 2.93 -0.09 0.00 5.75 -1.26 -4.48 116.55 115.07 3i3d n ASP 610 Ca 0.15 -2.30 -0.01 0.00 -0.01 0.00 0.00 54.79 52.62 3i3d n ASP 610 Cb 0.79 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 40.41 3i3d n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i3d n ARG 611 N 0.45 -0.84 -2.43 0.11 3.00 0.13 -5.00 116.66 112.09 3i3d n ARG 611 Ca 0.14 0.30 -0.41 0.00 -0.01 0.00 0.00 57.85 57.87 3i3d n ARG 611 Cb 0.58 -3.98 -0.04 0.00 0.00 0.00 0.00 32.46 29.03 3i3d n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3i3d s THR 612 N -1.67 3.68 0.29 0.55 2.01 -1.25 -4.71 115.64 114.53 3i3d s THR 612 Ca 0.00 1.43 -0.29 0.00 0.31 0.00 0.00 61.69 63.14 3i3d s THR 612 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 3i3d s THR 612 CO 0.00 0.24 1.27 -2.84 -0.69 0.00 0.00 174.62 172.60 3i3d s PRO 613 N -0.31 4.41 0.46 4.92 0.02 -1.26 0.89 135.00 144.13 3i3d s PRO 613 Ca 0.51 2.11 -0.08 0.00 0.02 0.00 0.00 61.00 63.56 3i3d s PRO 613 Cb -0.31 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.03 3i3d s PRO 613 CO 0.36 -0.14 0.80 -1.01 -0.33 0.00 0.00 177.00 176.68 3i3d s HIS 614 N -0.80 3.52 0.51 6.54 3.76 0.94 -4.80 115.29 124.96 3i3d s HIS 614 Ca 0.50 0.97 0.22 0.00 -0.15 0.00 0.00 55.06 56.60 3i3d s HIS 614 Cb -0.38 -2.41 1.32 0.00 1.11 0.00 0.00 32.58 32.23 3i3d s HIS 614 CO 0.47 -0.23 2.02 -1.35 -0.85 0.00 0.00 174.74 174.80 3i3d h PRO 615 N 0.67 0.06 -0.18 8.40 0.11 -1.93 -2.18 132.00 136.95 3i3d h PRO 615 Ca -0.47 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3i3d h PRO 615 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3i3d h PRO 615 CO 0.63 0.04 0.12 0.00 -0.21 0.00 0.00 178.00 178.58 3i3d h ALA 616 N 1.78 2.01 -0.94 -0.75 0.00 -1.87 -2.81 119.26 116.69 3i3d h ALA 616 Ca 0.21 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3i3d h ALA 616 Cb 0.76 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3i3d h ALA 616 CO -0.01 -0.04 0.61 1.25 0.00 0.00 0.00 179.25 181.05 3i3d h LEU 617 N 0.13 0.90 -0.93 0.00 5.85 -1.58 -1.52 115.31 118.16 3i3d h LEU 617 Ca 0.08 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3i3d h LEU 617 Cb 0.15 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3i3d h LEU 617 CO -0.01 0.54 -0.25 0.00 -0.34 0.00 0.00 178.44 178.38 3i3d h THR 618 N 1.00 1.27 -0.24 1.05 1.03 -1.69 -0.12 112.91 115.20 3i3d h THR 618 Ca 0.43 -1.27 -0.10 0.00 -0.01 0.00 0.00 66.41 65.46 3i3d h THR 618 Cb 0.33 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 68.74 3i3d h THR 618 CO -0.19 0.40 -0.27 -0.08 -0.01 0.00 0.00 175.52 175.38 3i3d h GLU 619 N 0.44 0.48 -0.31 0.00 4.57 -1.42 -1.41 114.58 116.92 3i3d h GLU 619 Ca 0.06 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 57.93 3i3d h GLU 619 Cb 0.67 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3i3d h GLU 619 CO 0.05 0.71 -0.29 0.00 -1.18 0.00 0.00 179.01 178.30 3i3d h ALA 620 N 1.30 0.45 -0.48 2.92 0.00 -0.69 -2.02 119.26 120.74 3i3d h ALA 620 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3i3d h ALA 620 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3i3d h ALA 620 CO 0.05 0.47 0.26 -0.22 0.00 0.00 0.00 179.25 179.82 3i3d h LYS 621 N 0.50 0.66 -0.04 0.00 3.64 -0.80 -1.37 116.57 119.16 3i3d h LYS 621 Ca 0.05 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3i3d h LYS 621 Cb 0.86 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3i3d h LYS 621 CO 0.07 0.52 0.02 1.25 -2.27 0.00 0.00 179.45 179.04 3i3d h HIS 622 N 0.63 0.06 0.00 1.91 2.76 -1.23 -2.84 115.15 116.45 3i3d h HIS 622 Ca 0.17 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3i3d h HIS 622 Cb 0.04 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3i3d h HIS 622 CO -0.02 0.18 -0.27 1.96 -1.30 0.00 0.00 177.93 178.48 3i3d h GLN 623 N -0.08 0.00 -0.54 5.26 1.08 -1.31 -2.79 115.11 116.74 3i3d h GLN 623 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i3d h GLN 623 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3i3d h GLN 623 CO -0.00 0.27 0.00 1.04 -0.95 0.00 0.00 178.83 179.19 3i3d n GLN 624 N -3.71 2.39 -1.56 1.46 6.02 -0.52 -4.97 117.38 116.48 3i3d n GLN 624 Ca -0.01 -1.58 -0.37 0.00 -0.01 0.00 0.00 57.00 55.03 3i3d n GLN 624 Cb 0.38 -1.54 0.07 0.00 1.02 0.00 0.00 30.24 30.18 3i3d n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3d n GLN 625 N 0.58 0.82 0.00 -1.09 6.02 -1.05 -4.85 117.38 117.80 3i3d n GLN 625 Ca 0.14 0.33 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 3i3d n GLN 625 Cb 0.50 -2.30 0.13 0.00 1.02 0.00 0.00 30.24 29.59 3i3d n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3i3d n PHE 626 N -2.08 0.00 -4.74 1.08 3.01 -1.26 -4.84 117.46 108.63 3i3d n PHE 626 Ca 0.14 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.29 3i3d n PHE 626 Cb 0.48 -0.03 -0.17 0.00 -0.01 0.00 0.00 39.48 39.75 3i3d n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3i3d s PHE 627 N -2.42 2.40 0.06 1.38 0.40 -1.26 0.14 117.98 118.68 3i3d s PHE 627 Ca 0.22 -1.13 0.03 0.00 -0.60 0.00 0.00 56.93 55.45 3i3d s PHE 627 Cb 0.19 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 3i3d s PHE 627 CO 0.52 -0.52 0.03 -0.65 0.70 0.00 0.00 175.22 175.31 3i3d s GLN 628 N 0.74 2.75 0.10 0.44 -1.52 0.25 -4.92 119.66 117.50 3i3d s GLN 628 Ca -0.10 -0.71 0.05 0.00 -1.95 0.00 0.00 55.36 52.65 3i3d s GLN 628 Cb -0.16 -2.65 -0.04 0.00 -0.22 0.00 0.00 33.01 29.94 3i3d s GLN 628 CO 0.01 0.57 -0.13 -0.06 -0.25 0.00 0.00 175.29 175.44 3i3d s PHE 629 N -1.28 1.25 -0.01 0.91 0.40 -1.26 -0.83 117.98 117.16 3i3d s PHE 629 Ca 0.25 -0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 55.99 3i3d s PHE 629 Cb -0.12 -0.67 0.00 0.00 0.51 0.00 0.00 43.02 42.74 3i3d s PHE 629 CO 0.17 0.08 0.07 1.03 0.70 0.00 0.00 175.22 177.27 3i3d s ARG 630 N -2.52 0.20 0.00 0.44 0.52 -0.82 -4.97 118.95 111.81 3i3d s ARG 630 Ca 0.06 -0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.23 3i3d s ARG 630 Cb -0.05 0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.48 3i3d s ARG 630 CO 0.02 -0.04 -0.26 -1.17 0.02 0.00 0.00 175.30 173.87 3i3d s LEU 631 N -0.48 2.09 -0.26 2.53 2.96 -1.26 0.08 118.68 124.33 3i3d s LEU 631 Ca -0.06 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3i3d s LEU 631 Cb -0.04 -1.31 0.15 0.00 0.50 0.00 0.00 46.19 45.49 3i3d s LEU 631 CO 0.00 0.30 0.40 -0.55 -1.32 0.00 0.00 176.35 175.18 3i3d s SER 632 N -0.84 0.16 1.69 3.68 0.15 -0.08 -5.02 113.70 113.43 3i3d s SER 632 Ca 0.11 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.85 3i3d s SER 632 Cb -0.10 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 3i3d s SER 632 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 3i3d n GLY 633 N 5.37 3.64 1.07 9.45 0.00 -1.26 -1.06 105.19 122.39 3i3d n GLY 633 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3i3d n GLY 633 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3d n GLN 634 N 13.38 2.42 -4.00 1.61 1.13 -1.26 -4.94 117.38 125.71 3i3d n GLN 634 Ca 0.00 -2.13 -0.35 0.00 -1.94 0.00 0.00 57.00 52.58 3i3d n GLN 634 Cb 0.00 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 28.75 3i3d n GLN 634 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3i3d s THR 635 N -1.63 4.76 -0.17 5.09 2.01 -0.23 0.49 115.64 125.96 3i3d s THR 635 Ca 0.36 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.26 3i3d s THR 635 Cb 0.22 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3i3d s THR 635 CO 0.31 0.46 0.03 -0.63 -0.69 0.00 0.00 174.62 174.10 3i3d s ILE 636 N 0.41 4.55 -0.24 1.82 1.01 0.23 -0.90 121.20 128.07 3i3d s ILE 636 Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 3i3d s ILE 636 Cb -0.12 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3i3d s ILE 636 CO 0.00 0.48 0.05 -0.70 0.00 0.00 0.00 174.94 174.77 3i3d s GLU 637 N 0.30 3.61 -0.20 2.79 2.12 0.11 -0.89 118.70 126.54 3i3d s GLU 637 Ca 0.02 -0.50 -0.07 0.00 0.36 0.00 0.00 54.97 54.77 3i3d s GLU 637 Cb -0.13 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3i3d s GLU 637 CO 0.01 -0.19 0.06 0.08 -0.54 0.00 0.00 175.26 174.68 3i3d s VAL 638 N 1.58 4.59 -0.12 3.70 1.01 0.43 -1.93 120.40 129.67 3i3d s VAL 638 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3i3d s VAL 638 Cb -0.15 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 3i3d s VAL 638 CO 0.02 0.42 -0.20 -0.89 0.00 0.00 0.00 175.10 174.45 3i3d s THR 639 N 0.75 2.35 -0.02 3.92 2.01 -0.01 -0.60 115.64 124.04 3i3d s THR 639 Ca 0.03 -0.91 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 3i3d s THR 639 Cb -0.13 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 3i3d s THR 639 CO 0.02 0.55 0.53 -0.55 -0.69 0.00 0.00 174.62 174.47 3i3d s SER 640 N 0.45 6.89 0.00 3.53 0.15 -0.63 -0.58 113.70 123.51 3i3d s SER 640 Ca -0.14 1.06 0.17 0.00 0.70 0.00 0.00 55.95 57.74 3i3d s SER 640 Cb -0.17 -2.32 0.42 0.00 -1.71 0.00 0.00 66.02 62.24 3i3d s SER 640 CO 0.06 0.15 1.34 -0.62 1.20 0.00 0.00 173.24 175.37 3i3d n GLU 641 N 2.61 2.54 -2.51 5.44 1.02 0.12 -2.73 120.64 127.13 3i3d n GLU 641 Ca -0.09 -2.23 -0.40 0.00 -0.02 0.00 0.00 57.16 54.42 3i3d n GLU 641 Cb 0.51 -1.42 -0.04 0.00 -0.02 0.00 0.00 31.44 30.47 3i3d n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3i3d s TYR 642 N -1.09 3.60 -0.08 -0.32 1.51 -1.26 -4.85 117.35 114.86 3i3d s TYR 642 Ca 0.34 1.72 0.15 0.00 -1.01 0.00 0.00 57.07 58.27 3i3d s TYR 642 Cb 0.19 -3.24 -0.20 0.00 -0.11 0.00 0.00 41.96 38.60 3i3d s TYR 642 CO 0.25 -0.45 0.68 1.28 -1.11 0.00 0.00 175.55 176.20 3i3d n LEU 643 N 1.12 0.81 0.00 -1.29 4.77 -1.26 -1.88 117.00 119.26 3i3d n LEU 643 Ca -0.01 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3i3d n LEU 643 Cb 0.45 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3i3d n LEU 643 CO 0.53 0.30 -0.44 0.49 -1.33 0.00 0.00 177.39 176.94 3i3d n PHE 644 N -2.96 0.00 -2.38 -1.77 3.01 -1.26 -4.86 117.46 107.24 3i3d n PHE 644 Ca -0.15 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.01 3i3d n PHE 644 Cb 0.98 0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 40.46 3i3d n PHE 644 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3i3d s ARG 645 N -1.91 3.65 0.27 -1.08 1.70 -1.26 -4.74 118.95 115.58 3i3d s ARG 645 Ca 0.00 0.52 0.01 0.00 -0.47 0.00 0.00 55.73 55.80 3i3d s ARG 645 Cb 0.00 -2.25 -0.04 0.00 -0.57 0.00 0.00 34.95 32.10 3i3d s ARG 645 CO 0.00 -0.31 0.45 -1.58 -1.08 0.00 0.00 175.30 172.78 3i3d s HIS 646 N -2.81 3.48 -1.31 5.89 5.65 -1.26 -3.44 115.29 121.48 3i3d s HIS 646 Ca 0.52 0.25 -0.14 0.00 0.25 0.00 0.00 55.06 55.94 3i3d s HIS 646 Cb -0.10 -1.80 -0.03 0.00 -1.18 0.00 0.00 32.58 29.47 3i3d s HIS 646 CO 0.44 0.29 2.29 -1.13 -0.65 0.00 0.00 174.74 175.98 3i3d n SER 647 N -1.31 4.53 -0.24 9.88 3.41 -1.06 -4.63 113.62 124.19 3i3d n SER 647 Ca -0.06 -2.73 0.12 0.00 -0.26 0.00 0.00 58.87 55.95 3i3d n SER 647 Cb 0.56 -1.49 0.59 0.00 -0.26 0.00 0.00 64.21 63.60 3i3d n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i3d n ASP 648 N 5.81 0.73 -2.76 4.04 5.75 -1.26 -3.99 116.55 124.86 3i3d n ASP 648 Ca 0.56 -1.42 -0.10 0.00 -0.01 0.00 0.00 54.79 53.82 3i3d n ASP 648 Cb 0.35 -0.03 0.05 0.00 -1.03 0.00 0.00 41.12 40.46 3i3d n ASP 648 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i3d n ASN 649 N -0.36 0.05 -3.85 -1.12 5.15 -1.26 -5.06 115.26 108.81 3i3d n ASN 649 Ca 0.18 -2.78 -0.12 0.00 -0.60 0.00 0.00 54.58 51.25 3i3d n ASN 649 Cb 0.20 0.12 -0.13 0.00 -0.53 0.00 0.00 39.78 39.44 3i3d n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3i3d s GLU 650 N -1.77 0.11 -0.03 1.20 8.01 -1.26 -4.22 118.70 120.74 3i3d s GLU 650 Ca 0.27 0.07 0.01 0.00 0.01 0.00 0.00 54.97 55.34 3i3d s GLU 650 Cb 0.41 0.05 0.01 0.00 -4.31 0.00 0.00 34.13 30.29 3i3d s GLU 650 CO -0.02 -0.01 -0.05 -1.17 0.01 0.00 0.00 175.26 174.01 3i3d s LEU 651 N -0.04 1.59 -0.31 1.80 2.96 0.90 -2.00 118.68 123.57 3i3d s LEU 651 Ca -0.01 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 3i3d s LEU 651 Cb -0.01 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 3i3d s LEU 651 CO 0.00 -0.00 0.23 -0.22 -1.32 0.00 0.00 176.35 175.04 3i3d s LEU 652 N 0.50 4.24 -0.15 -0.68 2.96 0.47 -0.12 118.68 125.90 3i3d s LEU 652 Ca -0.06 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 3i3d s LEU 652 Cb -0.10 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 3i3d s LEU 652 CO -0.00 -0.14 0.13 -1.00 -1.32 0.00 0.00 176.35 174.01 3i3d s HIS 653 N 1.78 3.49 0.11 5.38 3.76 0.10 -0.23 115.29 129.67 3i3d s HIS 653 Ca 0.07 0.41 0.08 0.00 -0.15 0.00 0.00 55.06 55.47 3i3d s HIS 653 Cb -0.17 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 3i3d s HIS 653 CO 0.11 0.51 -0.20 1.67 -0.85 0.00 0.00 174.74 175.98 3i3d s TRP 654 N -0.38 1.77 -0.16 1.40 1.48 0.13 -0.80 118.94 122.37 3i3d s TRP 654 Ca 0.11 -0.42 -0.10 0.00 -1.06 0.00 0.00 56.10 54.63 3i3d s TRP 654 Cb -0.12 -0.96 0.05 0.00 -1.16 0.00 0.00 33.47 31.29 3i3d s TRP 654 CO 0.01 0.21 0.39 1.41 -4.06 0.00 0.00 176.95 174.92 3i3d s MET 655 N -1.98 0.39 -0.14 3.25 1.75 0.08 -1.68 119.30 120.98 3i3d s MET 655 Ca 0.07 0.72 -0.01 0.00 -1.25 0.00 0.00 55.69 55.21 3i3d s MET 655 Cb -0.10 0.02 -0.02 0.00 2.84 0.00 0.00 34.83 37.58 3i3d s MET 655 CO 0.04 -0.14 -0.11 0.08 -0.65 0.00 0.00 175.02 174.25 3i3d s VAL 656 N 1.14 3.22 0.03 10.11 1.01 -0.17 -0.71 120.40 135.02 3i3d s VAL 656 Ca -0.08 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3i3d s VAL 656 Cb -0.07 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3i3d s VAL 656 CO -0.10 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.45 3i3d s ALA 657 N 0.46 0.49 -0.41 5.51 0.00 -0.46 -0.62 121.76 126.73 3i3d s ALA 657 Ca -0.08 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 3i3d s ALA 657 Cb -0.15 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.06 3i3d s ALA 657 CO 0.04 -0.01 0.25 -1.17 0.00 0.00 0.00 175.76 174.88 3i3d s LEU 658 N -1.27 5.07 -1.39 0.00 2.96 0.79 -0.45 118.68 124.38 3i3d s LEU 658 Ca -0.08 -1.35 -0.02 0.00 -0.22 0.00 0.00 54.13 52.46 3i3d s LEU 658 Cb -0.08 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.61 3i3d s LEU 658 CO 0.00 -0.51 0.58 0.47 -1.32 0.00 0.00 176.35 175.58 3i3d n ASP 659 N 4.96 -1.09 0.00 3.68 9.92 -0.87 -1.23 116.55 131.92 3i3d n ASP 659 Ca -0.11 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.23 3i3d n ASP 659 Cb 0.44 -3.48 0.00 0.00 -0.64 0.00 0.00 41.12 37.44 3i3d n ASP 659 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i3d n GLY 660 N -1.78 2.52 3.52 0.44 0.00 -1.26 -4.83 105.19 103.79 3i3d n GLY 660 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 3i3d n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3d s LYS 661 N -0.42 3.29 0.19 1.61 1.02 -0.36 -4.70 119.74 120.36 3i3d s LYS 661 Ca 0.00 -0.37 -0.32 0.00 0.02 0.00 0.00 55.97 55.31 3i3d s LYS 661 Cb 0.00 -3.97 -0.11 0.00 -0.52 0.00 0.00 37.83 33.23 3i3d s LYS 661 CO 0.00 -1.08 1.65 -1.25 -0.92 0.00 0.00 175.35 173.76 3i3d s PRO 662 N 2.95 4.17 -0.14 -1.68 0.04 -1.26 -0.14 135.00 138.93 3i3d s PRO 662 Ca 0.24 2.50 -0.02 0.00 0.04 0.00 0.00 61.00 63.75 3i3d s PRO 662 Cb -0.14 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 3i3d s PRO 662 CO 0.19 -0.69 -0.15 1.28 0.04 0.00 0.00 177.00 177.67 3i3d n LEU 663 N 4.01 2.32 -3.83 -3.56 4.32 0.21 -4.91 117.00 115.57 3i3d n LEU 663 Ca 0.15 0.01 -0.09 0.00 -0.02 0.00 0.00 56.01 56.06 3i3d n LEU 663 Cb 0.37 -0.47 -0.07 0.00 -1.62 0.00 0.00 43.42 41.63 3i3d n LEU 663 CO 0.63 0.59 -0.06 0.00 -1.22 0.00 0.00 177.39 177.32 3i3d s ALA 664 N -2.28 -0.33 0.14 -1.18 0.00 -1.09 -5.02 121.76 112.01 3i3d s ALA 664 Ca -0.19 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 3i3d s ALA 664 Cb 0.06 0.48 0.07 0.00 0.00 0.00 0.00 23.12 23.73 3i3d s ALA 664 CO 0.30 -0.51 0.79 -1.54 0.00 0.00 0.00 175.76 174.81 3i3d s SER 665 N -2.75 -0.35 0.00 0.00 1.04 -1.26 -1.00 113.70 109.38 3i3d s SER 665 Ca 0.03 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3i3d s SER 665 Cb 0.04 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3i3d s SER 665 CO -0.10 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.78 3i3d n GLY 666 N -0.39 -1.09 3.07 7.32 0.00 -0.67 -5.00 105.19 108.42 3i3d n GLY 666 Ca -0.09 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 3i3d n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i3d s GLU 667 N -1.99 0.37 -0.03 1.61 -1.05 -1.26 -0.70 118.70 115.66 3i3d s GLU 667 Ca 0.00 -0.26 -0.01 0.00 -0.15 0.00 0.00 54.97 54.55 3i3d s GLU 667 Cb 0.00 0.16 0.03 0.00 -0.44 0.00 0.00 34.13 33.88 3i3d s GLU 667 CO 0.00 -0.08 0.04 0.08 0.95 0.00 0.00 175.26 176.24 3i3d s VAL 668 N -0.99 -0.02 0.45 1.83 1.01 0.69 -4.97 120.40 118.40 3i3d s VAL 668 Ca -0.11 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 3i3d s VAL 668 Cb -0.06 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.08 3i3d s VAL 668 CO 0.01 0.14 1.37 -2.84 0.00 0.00 0.00 175.10 173.78 3i3d s PRO 669 N 1.54 3.70 -0.07 2.72 0.02 -1.26 -0.39 135.00 141.26 3i3d s PRO 669 Ca -0.03 2.29 -0.18 0.00 0.02 0.00 0.00 61.00 63.10 3i3d s PRO 669 Cb -0.13 -2.62 -0.05 0.00 0.02 0.00 0.00 34.50 31.72 3i3d s PRO 669 CO -0.03 -0.76 0.49 -0.51 -0.33 0.00 0.00 177.00 175.86 3i3d s LEU 670 N -2.75 4.35 -0.40 -5.54 1.43 -0.85 -4.79 118.68 110.13 3i3d s LEU 670 Ca 0.61 0.93 0.06 0.00 -1.03 0.00 0.00 54.13 54.71 3i3d s LEU 670 Cb -0.41 -2.73 0.22 0.00 0.03 0.00 0.00 46.19 43.30 3i3d s LEU 670 CO 0.52 0.09 0.46 -0.67 0.23 0.00 0.00 176.35 176.98 3i3d n ASP 671 N 3.07 -0.14 -4.10 2.29 2.03 -1.26 -4.71 116.55 113.73 3i3d n ASP 671 Ca -0.08 -2.58 -0.30 0.00 0.52 0.00 0.00 54.79 52.35 3i3d n ASP 671 Cb 0.52 -0.56 -0.17 0.00 -0.72 0.00 0.00 41.12 40.19 3i3d n ASP 671 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3i3d s VAL 672 N -0.68 1.72 0.77 5.18 0.11 -1.26 -4.86 120.40 121.37 3i3d s VAL 672 Ca 0.34 -0.78 -0.12 0.00 -2.93 0.00 0.00 61.98 58.50 3i3d s VAL 672 Cb 0.12 -1.54 0.06 0.00 -1.53 0.00 0.00 36.38 33.49 3i3d s VAL 672 CO -0.14 0.48 1.13 0.00 -3.33 0.00 0.00 175.10 173.23 3i3d s ALA 673 N 0.89 2.10 0.17 1.54 0.00 -1.26 -2.55 121.76 122.65 3i3d s ALA 673 Ca -0.08 0.49 -0.34 0.00 0.00 0.00 0.00 51.96 52.04 3i3d s ALA 673 Cb -0.15 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 3i3d s ALA 673 CO -0.01 -1.90 1.47 -0.35 0.00 0.00 0.00 175.76 174.96 3i3d n PRO 674 N -3.33 1.89 -1.05 0.00 -0.04 -1.22 0.30 135.00 131.55 3i3d n PRO 674 Ca 0.11 0.68 -0.02 0.00 -0.04 0.00 0.00 63.50 64.23 3i3d n PRO 674 Cb 0.52 -2.38 -0.01 0.00 -0.04 0.00 0.00 33.50 31.59 3i3d n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i3d n GLN 675 N 2.79 -1.50 -1.69 0.54 6.02 -0.79 -4.96 117.38 117.80 3i3d n GLN 675 Ca 0.16 0.46 -0.12 0.00 -0.01 0.00 0.00 57.00 57.48 3i3d n GLN 675 Cb 0.28 -4.62 0.06 0.00 1.02 0.00 0.00 30.24 26.98 3i3d n GLN 675 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3d n GLY 676 N -0.02 0.80 3.16 1.08 0.00 0.15 -4.74 105.19 105.61 3i3d n GLY 676 Ca -0.02 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 3i3d n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3d s LYS 677 N -3.80 0.80 -0.02 1.61 1.02 -1.26 -1.60 119.74 116.48 3i3d s LYS 677 Ca 0.35 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 55.34 3i3d s LYS 677 Cb -0.02 -0.65 0.02 0.00 -0.52 0.00 0.00 37.83 36.66 3i3d s LYS 677 CO 0.23 0.13 -0.01 -1.14 -0.92 0.00 0.00 175.35 173.64 3i3d s GLN 678 N -2.12 0.29 -0.18 1.68 0.74 0.23 -4.84 119.66 115.45 3i3d s GLN 678 Ca -0.00 -0.00 -0.07 0.00 0.05 0.00 0.00 55.36 55.33 3i3d s GLN 678 Cb -0.07 -0.39 -0.04 0.00 1.10 0.00 0.00 33.01 33.61 3i3d s GLN 678 CO 0.01 -0.05 0.06 -0.51 -0.55 0.00 0.00 175.29 174.25 3i3d s LEU 679 N 0.58 3.81 -0.22 3.68 1.43 -1.26 -0.43 118.68 126.27 3i3d s LEU 679 Ca -0.06 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3i3d s LEU 679 Cb -0.09 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.22 3i3d s LEU 679 CO -0.01 0.17 -0.09 -0.63 0.23 0.00 0.00 176.35 176.02 3i3d s ILE 680 N 0.40 1.74 -0.17 -0.59 1.01 -0.07 -4.98 121.20 118.54 3i3d s ILE 680 Ca 0.03 -1.22 -0.21 0.00 0.00 0.00 0.00 60.65 59.25 3i3d s ILE 680 Cb -0.12 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3i3d s ILE 680 CO 0.00 0.05 0.63 -1.61 0.00 0.00 0.00 174.94 174.02 3i3d s GLU 681 N 1.32 4.26 0.30 2.79 8.01 -1.26 -0.60 118.70 133.52 3i3d s GLU 681 Ca -0.04 0.65 -0.18 0.00 0.01 0.00 0.00 54.97 55.41 3i3d s GLU 681 Cb -0.18 -3.54 -0.09 0.00 -4.31 0.00 0.00 34.13 26.01 3i3d s GLU 681 CO -0.07 -0.16 0.78 -0.51 0.01 0.00 0.00 175.26 175.31 3i3d s LEU 682 N 1.63 4.16 1.02 1.80 1.43 0.18 -5.00 118.68 123.91 3i3d s LEU 682 Ca 0.30 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 3i3d s LEU 682 Cb -0.16 -3.98 0.20 0.00 0.03 0.00 0.00 46.19 42.28 3i3d s LEU 682 CO 0.11 -0.14 1.08 -2.16 0.23 0.00 0.00 176.35 175.48 3i3d s PRO 683 N -2.60 0.25 0.12 1.29 0.04 -1.26 -4.89 135.00 127.95 3i3d s PRO 683 Ca 0.51 0.65 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 3i3d s PRO 683 Cb -0.13 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 3i3d s PRO 683 CO 0.19 -2.89 1.86 0.39 0.04 0.00 0.00 177.00 176.59 3i3d n GLU 684 N -4.30 2.84 -3.24 4.56 1.02 -1.26 -4.94 120.64 115.32 3i3d n GLU 684 Ca 0.05 1.04 -0.43 0.00 -0.02 0.00 0.00 57.16 57.80 3i3d n GLU 684 Cb 0.56 -2.94 -0.08 0.00 -0.02 0.00 0.00 31.44 28.96 3i3d n GLU 684 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i3d s LEU 685 N 2.95 4.67 -0.16 -4.62 1.43 -1.26 -5.02 118.68 116.67 3i3d s LEU 685 Ca 0.83 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 3i3d s LEU 685 Cb -0.46 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 3i3d s LEU 685 CO 0.37 -0.63 2.00 -2.16 0.23 0.00 0.00 176.35 176.16 3i3d s PRO 686 N 2.39 3.54 0.17 1.29 0.04 -1.26 -4.92 135.00 136.25 3i3d s PRO 686 Ca 0.16 2.05 -0.33 0.00 0.04 0.00 0.00 61.00 62.92 3i3d s PRO 686 Cb -0.16 -4.24 -0.13 0.00 0.04 0.00 0.00 34.50 30.01 3i3d s PRO 686 CO 0.15 -1.63 1.63 0.00 0.04 0.00 0.00 177.00 177.20 3i3d n GLN 687 N 8.20 2.33 -2.63 4.56 0.00 -1.26 -4.94 117.38 123.64 3i3d n GLN 687 Ca 0.24 0.84 -0.40 0.00 0.00 0.00 0.00 57.00 57.69 3i3d n GLN 687 Cb 0.44 -2.64 -0.05 0.00 0.00 0.00 0.00 30.24 27.99 3i3d n GLN 687 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3i3d s PRO 688 N 1.12 4.76 0.06 2.61 0.04 -1.26 -4.97 135.00 137.36 3i3d s PRO 688 Ca 0.78 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 3i3d s PRO 688 Cb -0.63 -3.24 -0.18 0.00 0.04 0.00 0.00 34.50 30.50 3i3d s PRO 688 CO 0.37 0.38 1.58 0.93 0.04 0.00 0.00 177.00 180.30 3i3d h GLU 689 N 3.99 -0.62 -6.47 4.56 3.07 -2.04 -3.44 114.58 113.63 3i3d h GLU 689 Ca -0.46 0.04 -0.59 0.00 -0.50 0.00 0.00 59.36 57.85 3i3d h GLU 689 Cb 1.21 0.14 0.15 0.00 -0.84 0.00 0.00 28.75 29.41 3i3d h GLU 689 CO 0.67 -0.39 -0.27 0.45 -1.40 0.00 0.00 179.01 178.08 3i3d n SER 690 N -5.35 -0.46 -4.87 1.42 2.88 -1.26 -4.97 113.62 101.01 3i3d n SER 690 Ca -0.12 0.87 -0.30 0.00 -1.33 0.00 0.00 58.87 57.99 3i3d n SER 690 Cb 0.28 -1.19 0.04 0.00 -0.75 0.00 0.00 64.21 62.60 3i3d n SER 690 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3d s ALA 691 N -1.52 2.86 0.00 -1.46 0.00 -1.26 -4.90 121.76 115.48 3i3d s ALA 691 Ca 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3i3d s ALA 691 Cb -0.53 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3i3d s ALA 691 CO 0.56 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.61 3i3d n GLY 692 N -2.85 0.91 3.64 0.00 0.00 0.04 -4.95 105.19 101.98 3i3d n GLY 692 Ca 0.07 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 3i3d n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3d s GLN 693 N -1.08 3.91 -0.08 1.61 2.00 -1.26 -0.94 119.66 123.81 3i3d s GLN 693 Ca 0.00 -0.34 -0.20 0.00 -2.00 0.00 0.00 55.36 52.82 3i3d s GLN 693 Cb 0.00 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.58 3i3d s GLN 693 CO 0.00 0.31 0.56 -0.51 -0.50 0.00 0.00 175.29 175.15 3i3d s LEU 694 N 0.26 4.31 -0.00 3.68 1.43 -0.45 -2.06 118.68 125.86 3i3d s LEU 694 Ca 0.04 0.98 0.08 0.00 -1.03 0.00 0.00 54.13 54.20 3i3d s LEU 694 Cb -0.12 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 3i3d s LEU 694 CO 0.00 -0.01 -0.25 0.26 0.23 0.00 0.00 176.35 176.58 3i3d s TRP 695 N 0.53 2.36 -0.18 0.29 0.52 0.40 0.34 118.94 123.20 3i3d s TRP 695 Ca 0.30 -0.41 -0.03 0.00 0.02 0.00 0.00 56.10 55.99 3i3d s TRP 695 Cb -0.16 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 3i3d s TRP 695 CO 0.14 0.04 -0.07 -1.17 0.02 0.00 0.00 176.95 175.90 3i3d s LEU 696 N -0.84 2.87 -0.07 2.99 2.96 0.38 -1.36 118.68 125.61 3i3d s LEU 696 Ca 0.11 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3i3d s LEU 696 Cb -0.10 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 3i3d s LEU 696 CO 0.00 0.06 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.00 3i3d s THR 697 N 0.97 1.77 0.02 3.68 2.01 0.11 -0.88 115.64 123.31 3i3d s THR 697 Ca -0.01 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.18 3i3d s THR 697 Cb -0.15 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 3i3d s THR 697 CO 0.00 0.50 -0.18 0.68 -0.69 0.00 0.00 174.62 174.92 3i3d s VAL 698 N 0.21 1.47 -0.02 3.82 -7.23 -0.20 -0.74 120.40 117.71 3i3d s VAL 698 Ca -0.11 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 3i3d s VAL 698 Cb -0.15 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.53 3i3d s VAL 698 CO 0.05 0.24 0.07 0.00 -0.31 0.00 0.00 175.10 175.15 3i3d s ARG 699 N -0.89 0.15 -0.21 4.82 1.70 0.02 -1.28 118.95 123.26 3i3d s ARG 699 Ca 0.06 -0.03 -0.15 0.00 -0.47 0.00 0.00 55.73 55.14 3i3d s ARG 699 Cb -0.08 0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.33 3i3d s ARG 699 CO 0.01 -0.02 0.36 0.08 -1.08 0.00 0.00 175.30 174.65 3i3d s VAL 700 N -0.28 5.22 0.00 4.99 1.01 0.95 -0.73 120.40 131.56 3i3d s VAL 700 Ca -0.03 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.64 3i3d s VAL 700 Cb -0.02 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3i3d s VAL 700 CO 0.00 0.26 -0.23 -0.69 0.00 0.00 0.00 175.10 174.44 3i3d s VAL 701 N 1.33 2.36 -0.49 2.92 1.01 0.83 -1.44 120.40 126.91 3i3d s VAL 701 Ca 0.17 -1.13 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 3i3d s VAL 701 Cb -0.15 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.41 3i3d s VAL 701 CO 0.08 0.49 0.50 -1.10 0.00 0.00 0.00 175.10 175.06 3i3d s GLN 702 N -0.93 3.04 0.21 2.72 -0.21 0.21 -0.07 119.66 124.63 3i3d s GLN 702 Ca 0.11 -1.19 -0.09 0.00 0.02 0.00 0.00 55.36 54.22 3i3d s GLN 702 Cb -0.10 -4.13 0.23 0.00 1.00 0.00 0.00 33.01 30.01 3i3d s GLN 702 CO 0.01 -1.13 1.83 -1.35 -2.12 0.00 0.00 175.29 172.52 3i3d h PRO 703 N 8.87 0.75 -6.06 2.91 0.11 -1.89 0.18 132.00 136.88 3i3d h PRO 703 Ca -0.28 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.18 3i3d h PRO 703 Cb 1.10 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 3i3d h PRO 703 CO 0.93 0.49 -0.26 -0.80 -0.21 0.00 0.00 178.00 178.15 3i3d s ASN 704 N -5.66 6.65 0.77 -2.05 0.02 -1.26 -3.90 114.94 109.50 3i3d s ASN 704 Ca -0.13 0.79 -0.11 0.00 -1.02 0.00 0.00 52.86 52.39 3i3d s ASN 704 Cb 0.16 -2.18 0.05 0.00 0.02 0.00 0.00 41.25 39.31 3i3d s ASN 704 CO 0.76 0.22 1.08 0.00 0.02 0.00 0.00 177.10 179.18 3i3d s ALA 705 N -1.32 2.27 0.16 0.60 0.00 -1.26 -4.50 121.76 117.71 3i3d s ALA 705 Ca 0.30 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.40 3i3d s ALA 705 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3i3d s ALA 705 CO 0.17 -1.69 0.09 0.25 0.00 0.00 0.00 175.76 174.57 3i3d n THR 706 N -3.45 0.00 0.28 0.00 -2.24 0.92 -4.91 114.28 104.88 3i3d n THR 706 Ca 0.08 -1.02 0.17 0.00 -2.27 0.00 0.00 64.05 61.01 3i3d n THR 706 Cb 0.54 0.43 0.67 0.00 -2.10 0.00 0.00 70.33 69.87 3i3d n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3d h ALA 707 N 1.36 1.00 -0.00 6.98 0.00 -1.99 -3.22 119.26 123.38 3i3d h ALA 707 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i3d h ALA 707 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i3d h ALA 707 CO 0.19 0.00 -0.03 -2.67 0.00 0.00 0.00 179.25 176.74 3i3d n TRP 708 N -3.10 0.00 -3.72 0.00 4.27 -1.26 -5.05 117.44 108.58 3i3d n TRP 708 Ca 0.01 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.51 3i3d n TRP 708 Cb 0.31 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.20 3i3d n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 3i3d s SER 709 N -0.47 -0.13 0.47 -0.67 1.04 -1.22 -4.71 113.70 108.01 3i3d s SER 709 Ca 0.03 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 3i3d s SER 709 Cb 0.02 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 3i3d s SER 709 CO 0.05 -0.73 0.74 -1.61 0.98 0.00 0.00 173.24 172.68 3i3d s GLU 710 N -3.24 3.37 0.38 4.02 2.02 -1.26 -0.05 118.70 123.93 3i3d s GLU 710 Ca -0.00 -0.03 -0.28 0.00 0.02 0.00 0.00 54.97 54.67 3i3d s GLU 710 Cb 0.01 -2.44 -0.11 0.00 0.10 0.00 0.00 34.13 31.69 3i3d s GLU 710 CO -0.08 -0.22 1.49 0.00 0.02 0.00 0.00 175.26 176.47 3i3d s ALA 711 N -2.67 3.58 0.00 5.21 0.00 -1.26 -2.16 121.76 124.46 3i3d s ALA 711 Ca 0.47 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.01 3i3d s ALA 711 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3i3d s ALA 711 CO 0.42 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3i3d n GLY 712 N 0.48 0.81 3.68 0.00 0.00 0.64 -4.94 105.19 105.86 3i3d n GLY 712 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 3i3d n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i3d n HIS 713 N -2.00 2.30 -3.33 1.61 -0.00 -0.92 -4.58 115.22 108.30 3i3d n HIS 713 Ca 0.00 0.32 -0.39 0.00 0.46 0.00 0.00 57.72 58.11 3i3d n HIS 713 Cb 0.00 -2.52 -0.08 0.00 -0.12 0.00 0.00 29.99 27.27 3i3d n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3i3d s ILE 714 N 0.46 5.14 -0.04 3.57 1.01 -1.26 -0.62 121.20 129.46 3i3d s ILE 714 Ca 0.73 0.70 0.19 0.00 0.00 0.00 0.00 60.65 62.27 3i3d s ILE 714 Cb -0.65 -3.75 -0.29 0.00 0.01 0.00 0.00 42.46 37.78 3i3d s ILE 714 CO 0.43 0.14 0.42 -1.54 0.00 0.00 0.00 174.94 174.39 3i3d n SER 715 N 5.33 0.68 -3.46 3.58 3.41 -0.52 -5.02 113.62 117.61 3i3d n SER 715 Ca -0.07 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 3i3d n SER 715 Cb 0.50 1.85 -0.02 0.00 -0.26 0.00 0.00 64.21 66.29 3i3d n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3d s ALA 716 N -3.31 -1.71 0.21 7.33 0.00 -1.24 -4.71 121.76 118.34 3i3d s ALA 716 Ca -0.07 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 3i3d s ALA 716 Cb 0.12 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.94 3i3d s ALA 716 CO 0.79 -0.73 0.77 1.67 0.00 0.00 0.00 175.76 178.26 3i3d s TRP 717 N -3.43 -0.25 -0.12 0.00 -2.14 -1.26 -0.04 118.94 111.70 3i3d s TRP 717 Ca 0.03 -0.11 -0.30 0.00 2.66 0.00 0.00 56.10 58.38 3i3d s TRP 717 Cb -0.01 0.66 0.12 0.00 -3.10 0.00 0.00 33.47 31.13 3i3d s TRP 717 CO -0.11 -1.03 0.96 -1.14 -2.66 0.00 0.00 176.95 172.98 3i3d s GLN 718 N -3.69 0.66 0.10 3.25 2.00 -0.40 -4.99 119.66 116.60 3i3d s GLN 718 Ca 0.09 0.04 0.06 0.00 -2.00 0.00 0.00 55.36 53.55 3i3d s GLN 718 Cb -0.04 0.31 -0.03 0.00 0.80 0.00 0.00 33.01 34.05 3i3d s GLN 718 CO 0.01 -0.23 -0.15 -0.65 -0.50 0.00 0.00 175.29 173.77 3i3d s GLN 719 N -1.62 0.97 -0.03 1.67 -0.21 -1.26 -1.03 119.66 118.14 3i3d s GLN 719 Ca -0.00 -1.13 -0.05 0.00 0.02 0.00 0.00 55.36 54.19 3i3d s GLN 719 Cb -0.01 -0.94 0.01 0.00 1.00 0.00 0.00 33.01 33.07 3i3d s GLN 719 CO -0.01 0.20 0.13 -1.58 -2.12 0.00 0.00 175.29 171.91 3i3d s TRP 720 N -1.71 -0.06 -0.08 0.91 0.51 -0.06 -4.98 118.94 113.47 3i3d s TRP 720 Ca 0.05 0.14 -0.26 0.00 -2.12 0.00 0.00 56.10 53.91 3i3d s TRP 720 Cb -0.07 0.00 -0.03 0.00 -0.81 0.00 0.00 33.47 32.56 3i3d s TRP 720 CO 0.03 -0.16 0.82 1.03 -0.51 0.00 0.00 176.95 178.16 3i3d s ARG 721 N -0.54 4.43 0.00 4.98 0.52 -1.26 -0.47 118.95 126.61 3i3d s ARG 721 Ca -0.06 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.22 3i3d s ARG 721 Cb -0.04 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.94 3i3d s ARG 721 CO 0.01 -0.08 0.00 1.28 0.02 0.00 0.00 175.30 176.52 3i3d n LEU 722 N 4.24 0.00 -4.75 2.53 4.77 0.15 -4.93 117.00 119.02 3i3d n LEU 722 Ca 0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 3i3d n LEU 722 Cb 0.50 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 3i3d n LEU 722 CO 0.49 0.00 0.93 0.00 -1.33 0.00 0.00 177.39 177.48 3i3d s ALA 723 N -3.03 2.75 -0.04 -1.18 0.00 -1.26 -4.65 121.76 114.34 3i3d s ALA 723 Ca 0.00 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.20 3i3d s ALA 723 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3i3d s ALA 723 CO 0.00 -1.27 -0.10 -2.00 0.00 0.00 0.00 175.76 172.38 3i3d s GLU 724 N -2.99 1.25 -0.36 0.00 2.12 -1.26 -1.34 118.70 116.11 3i3d s GLU 724 Ca 0.73 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.71 3i3d s GLU 724 Cb -0.37 -1.11 0.10 0.00 0.26 0.00 0.00 34.13 33.00 3i3d s GLU 724 CO 0.43 0.08 0.11 -0.80 -0.54 0.00 0.00 175.26 174.54 3i3d s ASN 725 N 0.40 4.98 0.29 -1.70 0.01 -0.12 -4.97 114.94 113.83 3i3d s ASN 725 Ca -0.08 -1.99 -0.30 0.00 -0.71 0.00 0.00 52.86 49.79 3i3d s ASN 725 Cb -0.12 -1.72 -0.11 0.00 0.41 0.00 0.00 41.25 39.71 3i3d s ASN 725 CO 0.02 -0.43 1.51 -0.76 -1.51 0.00 0.00 177.10 175.92 3i3d s LEU 726 N 1.05 4.36 0.01 0.60 1.43 -1.26 -0.78 118.68 124.08 3i3d s LEU 726 Ca 0.07 2.84 -0.30 0.00 -1.03 0.00 0.00 54.13 55.72 3i3d s LEU 726 Cb -0.21 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 3i3d s LEU 726 CO -0.06 -0.81 1.10 -0.55 0.23 0.00 0.00 176.35 176.27 3i3d s SER 727 N 0.30 7.19 0.00 2.29 0.15 -1.26 -4.89 113.70 117.49 3i3d s SER 727 Ca 0.60 1.82 0.00 0.00 0.70 0.00 0.00 55.95 59.06 3i3d s SER 727 Cb -0.45 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.29 3i3d s SER 727 CO 0.49 -0.41 0.69 1.33 1.20 0.00 0.00 173.24 176.54 3i3d n VAL 728 N 4.07 0.40 -2.29 4.45 0.24 -1.26 -5.03 118.33 118.91 3i3d n VAL 728 Ca 0.08 -0.68 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 3i3d n VAL 728 Cb 0.48 0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 3i3d n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i3d s THR 729 N -0.40 3.71 -0.18 3.34 -4.23 -1.26 -4.99 115.64 111.63 3i3d s THR 729 Ca 0.00 1.20 -0.29 0.00 -1.18 0.00 0.00 61.69 61.42 3i3d s THR 729 Cb 0.00 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.07 3i3d s THR 729 CO 0.00 0.07 1.01 -0.76 -0.54 0.00 0.00 174.62 174.40 3i3d s LEU 730 N 1.42 4.15 0.52 4.79 1.02 -1.26 -5.01 118.68 124.31 3i3d s LEU 730 Ca 0.62 1.41 -0.22 0.00 0.02 0.00 0.00 54.13 55.96 3i3d s LEU 730 Cb -0.32 -3.52 -0.07 0.00 0.02 0.00 0.00 46.19 42.30 3i3d s LEU 730 CO 0.29 -0.58 1.20 -0.81 0.02 0.00 0.00 176.35 176.47 3i3d n PRO 731 N 5.81 1.49 -1.67 1.29 -0.04 -1.26 -4.88 135.00 135.73 3i3d n PRO 731 Ca 0.10 0.55 -0.46 0.00 -0.04 0.00 0.00 63.50 63.65 3i3d n PRO 731 Cb 0.47 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 3i3d n PRO 731 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i3d n ALA 732 N -0.98 1.29 -2.03 0.55 0.00 -1.26 -4.91 120.51 113.17 3i3d n ALA 732 Ca 0.10 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 3i3d n ALA 732 Cb 0.44 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 3i3d n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3d s ALA 733 N 1.98 3.61 0.27 0.00 0.00 -1.26 -4.98 121.76 121.39 3i3d s ALA 733 Ca 0.83 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 53.82 3i3d s ALA 733 Cb -0.67 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 18.83 3i3d s ALA 733 CO 0.42 -0.65 0.72 -1.54 0.00 0.00 0.00 175.76 174.71 3i3d s SER 734 N 0.77 6.89 0.12 0.00 1.04 -1.26 -4.96 113.70 116.29 3i3d s SER 734 Ca 0.62 1.32 0.25 0.00 0.48 0.00 0.00 55.95 58.63 3i3d s SER 734 Cb -0.39 -2.39 0.50 0.00 0.10 0.00 0.00 66.02 63.85 3i3d s SER 734 CO 0.35 -0.10 1.46 1.41 0.98 0.00 0.00 173.24 177.34 3i3d n HIS 735 N 0.12 0.57 -2.26 5.02 8.25 -1.26 -4.89 115.22 120.77 3i3d n HIS 735 Ca 0.01 0.17 -0.28 0.00 -0.26 0.00 0.00 57.72 57.36 3i3d n HIS 735 Cb 0.52 -0.68 0.03 0.00 1.12 0.00 0.00 29.99 30.98 3i3d n HIS 735 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i3d s ALA 736 N -3.13 3.20 -0.18 -1.41 0.00 -1.26 -5.09 121.76 113.88 3i3d s ALA 736 Ca 0.08 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 3i3d s ALA 736 Cb 0.14 -2.73 0.09 0.00 0.00 0.00 0.00 23.12 20.61 3i3d s ALA 736 CO 0.68 -0.84 0.28 -1.50 0.00 0.00 0.00 175.76 174.39 3i3d s ILE 737 N -3.07 -0.44 0.35 0.00 1.10 -1.26 -4.31 121.20 113.57 3i3d s ILE 737 Ca 0.54 0.06 -0.28 0.00 -0.51 0.00 0.00 60.65 60.47 3i3d s ILE 737 Cb -0.11 -0.62 -0.12 0.00 0.15 0.00 0.00 42.46 41.77 3i3d s ILE 737 CO 0.47 -0.05 1.29 -2.65 -2.11 0.00 0.00 174.94 171.90 3i3d n PRO 738 N 5.35 2.12 -4.14 3.50 -0.02 -1.26 -4.94 135.00 135.62 3i3d n PRO 738 Ca -0.05 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 3i3d n PRO 738 Cb 0.50 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 3i3d n PRO 738 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i3d s HIS 739 N -1.10 3.07 0.02 6.00 2.46 -0.14 -4.76 115.29 120.83 3i3d s HIS 739 Ca 0.56 -0.34 -0.14 0.00 0.47 0.00 0.00 55.06 55.60 3i3d s HIS 739 Cb -0.56 -2.06 -0.06 0.00 -0.13 0.00 0.00 32.58 29.77 3i3d s HIS 739 CO 0.62 -0.14 0.42 -1.17 -2.47 0.00 0.00 174.74 172.00 3i3d s LEU 740 N 0.78 4.46 -0.02 8.88 2.96 -1.26 -0.89 118.68 133.59 3i3d s LEU 740 Ca 0.00 0.95 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 3i3d s LEU 740 Cb -0.14 -2.67 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 3i3d s LEU 740 CO 0.02 0.30 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.34 3i3d s THR 741 N -1.14 0.94 0.05 3.68 2.01 0.58 -4.99 115.64 116.78 3i3d s THR 741 Ca 0.26 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.85 3i3d s THR 741 Cb -0.16 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 3i3d s THR 741 CO 0.14 0.28 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.25 3i3d s THR 742 N -0.05 1.69 0.18 -0.82 2.01 -1.26 -1.15 115.64 116.23 3i3d s THR 742 Ca 0.01 -1.24 -0.08 0.00 0.31 0.00 0.00 61.69 60.68 3i3d s THR 742 Cb -0.07 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 3i3d s THR 742 CO 0.00 0.18 0.29 -0.94 -0.69 0.00 0.00 174.62 173.46 3i3d s SER 743 N -1.26 0.04 0.40 3.53 1.04 -0.56 -5.00 113.70 111.89 3i3d s SER 743 Ca 0.07 -0.96 0.13 0.00 0.48 0.00 0.00 55.95 55.68 3i3d s SER 743 Cb -0.09 0.45 0.96 0.00 0.10 0.00 0.00 66.02 67.44 3i3d s SER 743 CO 0.02 -0.93 1.90 -0.33 0.98 0.00 0.00 173.24 174.89 3i3d h GLU 744 N 2.51 0.51 -0.01 4.02 4.39 -2.03 -2.84 114.58 121.13 3i3d h GLU 744 Ca -0.31 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3i3d h GLU 744 Cb 1.23 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3i3d h GLU 744 CO 0.47 0.34 -0.38 -1.33 -1.16 0.00 0.00 179.01 176.95 3i3d n MET 745 N -4.51 1.63 -3.79 2.33 2.81 -1.26 -4.79 117.12 109.54 3i3d n MET 745 Ca 0.15 -0.78 -0.09 0.00 -1.81 0.00 0.00 57.70 55.17 3i3d n MET 745 Cb 0.50 -1.29 -0.07 0.00 -0.71 0.00 0.00 33.22 31.65 3i3d n MET 745 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i3d s ASP 746 N -2.00 0.01 -0.22 7.83 1.01 -1.07 -1.54 116.67 120.70 3i3d s ASP 746 Ca 0.13 -0.52 -0.00 0.00 0.71 0.00 0.00 52.55 52.88 3i3d s ASP 746 Cb 0.13 0.37 0.06 0.00 1.01 0.00 0.00 42.92 44.49 3i3d s ASP 746 CO 0.44 -0.74 -0.04 -0.36 0.21 0.00 0.00 175.17 174.68 3i3d s PHE 747 N -3.67 2.06 -0.04 4.23 2.99 -0.70 -1.49 117.98 121.36 3i3d s PHE 747 Ca 0.03 -1.50 0.05 0.00 0.00 0.00 0.00 56.93 55.51 3i3d s PHE 747 Cb 0.03 -1.45 -0.03 0.00 0.00 0.00 0.00 43.02 41.58 3i3d s PHE 747 CO -0.10 -0.72 -0.16 0.00 -0.00 0.00 0.00 175.22 174.23 3i3d s ILE 749 N -0.73 1.91 -0.02 0.00 1.09 0.00 -0.31 121.20 123.15 3i3d s ILE 749 Ca 0.11 -1.03 0.04 0.00 -1.10 0.00 0.00 60.65 58.68 3i3d s ILE 749 Cb -0.10 -1.59 -0.01 0.00 -1.06 0.00 0.00 42.46 39.70 3i3d s ILE 749 CO 0.01 0.54 -0.13 -0.70 -0.10 0.00 0.00 174.94 174.56 3i3d s GLU 750 N -0.48 1.19 -0.24 2.79 2.12 -0.07 -0.92 118.70 123.09 3i3d s GLU 750 Ca 0.07 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 54.90 3i3d s GLU 750 Cb -0.10 -1.11 0.13 0.00 0.26 0.00 0.00 34.13 33.31 3i3d s GLU 750 CO -0.00 0.24 0.41 -1.17 -0.54 0.00 0.00 175.26 174.19 3i3d s LEU 751 N -0.13 -0.70 0.00 2.70 2.96 -0.35 -0.96 118.68 122.20 3i3d s LEU 751 Ca 0.02 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 3i3d s LEU 751 Cb -0.07 1.26 0.00 0.00 0.50 0.00 0.00 46.19 47.87 3i3d s LEU 751 CO 0.00 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3i3d n GLY 752 N 5.38 3.56 1.44 7.98 0.00 -1.26 -1.11 105.19 121.18 3i3d n GLY 752 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.90 3i3d n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i3d n ASN 753 N 4.74 4.01 -4.35 1.61 6.94 -1.26 -4.89 115.26 122.05 3i3d n ASN 753 Ca 0.00 -2.65 -0.31 0.00 -0.02 0.00 0.00 54.58 51.61 3i3d n ASN 753 Cb 0.00 -0.63 -0.15 0.00 -2.36 0.00 0.00 39.78 36.64 3i3d n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3i3d s LYS 754 N -2.14 1.93 0.01 -3.83 1.02 -0.26 0.33 119.74 116.80 3i3d s LYS 754 Ca 0.35 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.31 3i3d s LYS 754 Cb 0.27 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.54 3i3d s LYS 754 CO 0.10 0.53 -0.02 1.03 -0.92 0.00 0.00 175.35 176.07 3i3d s ARG 755 N -1.09 0.20 -0.02 1.68 0.52 -0.70 -1.21 118.95 118.34 3i3d s ARG 755 Ca 0.12 -0.20 0.06 0.00 -0.52 0.00 0.00 55.73 55.18 3i3d s ARG 755 Cb -0.10 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.24 3i3d s ARG 755 CO 0.02 0.03 -0.20 -1.58 0.02 0.00 0.00 175.30 173.58 3i3d s TRP 756 N -0.37 1.84 -0.09 -0.53 0.51 -0.09 -0.74 118.94 119.46 3i3d s TRP 756 Ca -0.03 -0.36 -0.01 0.00 -2.12 0.00 0.00 56.10 53.58 3i3d s TRP 756 Cb -0.03 -1.19 0.03 0.00 -0.81 0.00 0.00 33.47 31.47 3i3d s TRP 756 CO -0.00 -0.04 -0.05 -1.14 -0.51 0.00 0.00 176.95 175.21 3i3d s GLN 757 N -0.45 1.17 -0.23 4.98 0.74 -0.34 -0.82 119.66 124.71 3i3d s GLN 757 Ca 0.07 -0.12 -0.05 0.00 0.05 0.00 0.00 55.36 55.31 3i3d s GLN 757 Cb -0.08 -1.32 -0.02 0.00 1.10 0.00 0.00 33.01 32.69 3i3d s GLN 757 CO -0.01 -0.26 0.00 -0.06 -0.55 0.00 0.00 175.29 174.42 3i3d s PHE 758 N 1.73 3.01 -0.23 1.67 0.40 0.04 -0.86 117.98 123.75 3i3d s PHE 758 Ca 0.04 -0.70 -0.29 0.00 -0.60 0.00 0.00 56.93 55.37 3i3d s PHE 758 Cb -0.13 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.23 3i3d s PHE 758 CO -0.06 -0.45 1.39 1.21 0.70 0.00 0.00 175.22 178.00 3i3d s ASN 759 N 1.50 6.68 0.30 1.36 3.84 -0.56 -1.71 114.94 126.34 3i3d s ASN 759 Ca 0.06 1.50 0.25 0.00 0.21 0.00 0.00 52.86 54.87 3i3d s ASN 759 Cb -0.15 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 39.06 3i3d s ASN 759 CO -0.00 -1.03 1.74 0.03 -2.79 0.00 0.00 177.10 175.06 3i3d h ARG 760 N 9.34 0.00 0.08 0.43 3.08 -1.59 0.79 114.38 126.52 3i3d h ARG 760 Ca -0.29 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.45 3i3d h ARG 760 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 3i3d h ARG 760 CO 1.00 0.00 -1.71 1.96 -1.07 0.00 0.00 179.97 180.16 3i3d h GLN 761 N 0.00 0.17 0.00 0.04 7.50 -1.87 -3.39 115.11 117.56 3i3d h GLN 761 Ca 0.00 -0.29 -0.35 0.00 0.50 0.00 0.00 58.65 58.51 3i3d h GLN 761 Cb 0.37 0.11 -0.06 0.00 0.05 0.00 0.00 27.48 27.94 3i3d h GLN 761 CO 0.00 0.94 -2.22 -1.13 -1.50 0.00 0.00 178.83 174.92 3i3d n SER 762 N -3.33 0.49 0.00 1.46 3.41 -1.12 -4.83 113.62 109.71 3i3d n SER 762 Ca -0.21 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3i3d n SER 762 Cb 1.04 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 3i3d n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3d n GLY 763 N 1.76 0.61 3.56 5.00 0.00 0.27 -4.72 105.19 111.68 3i3d n GLY 763 Ca -0.30 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 3i3d n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3d s PHE 764 N -2.00 2.54 -0.38 1.61 0.40 -1.24 -4.90 117.98 114.01 3i3d s PHE 764 Ca 0.00 -0.26 -0.29 0.00 -0.60 0.00 0.00 56.93 55.78 3i3d s PHE 764 Cb 0.00 -1.15 -0.00 0.00 0.51 0.00 0.00 43.02 42.38 3i3d s PHE 764 CO 0.00 0.62 1.56 -1.17 0.70 0.00 0.00 175.22 176.93 3i3d s LEU 765 N -3.39 3.56 0.01 -0.37 2.96 -1.26 -1.49 118.68 118.70 3i3d s LEU 765 Ca 0.29 1.02 0.23 0.00 -0.22 0.00 0.00 54.13 55.45 3i3d s LEU 765 Cb -0.07 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.12 3i3d s LEU 765 CO 0.17 -1.54 1.05 -1.54 -1.32 0.00 0.00 176.35 173.18 3i3d n SER 766 N 9.37 0.74 -3.56 3.68 3.41 -0.04 -1.49 113.62 125.74 3i3d n SER 766 Ca 0.19 -0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 58.09 3i3d n SER 766 Cb 0.47 0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 65.16 3i3d n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3i3d s GLN 767 N -3.06 0.69 -0.01 4.33 2.00 -1.17 -4.45 119.66 117.99 3i3d s GLN 767 Ca 0.07 0.11 -0.00 0.00 -2.00 0.00 0.00 55.36 53.54 3i3d s GLN 767 Cb 0.16 0.33 0.01 0.00 0.80 0.00 0.00 33.01 34.30 3i3d s GLN 767 CO 0.81 -0.23 0.01 -1.64 -0.50 0.00 0.00 175.29 173.74 3i3d s MET 768 N -1.37 0.00 -0.04 1.67 -1.94 -1.26 -1.19 119.30 115.17 3i3d s MET 768 Ca -0.02 0.04 0.06 0.00 -1.71 0.00 0.00 55.69 54.06 3i3d s MET 768 Cb -0.00 -0.04 -0.01 0.00 2.01 0.00 0.00 34.83 36.79 3i3d s MET 768 CO 0.02 -0.03 -0.23 -1.58 -0.01 0.00 0.00 175.02 173.18 3i3d s TRP 769 N 0.18 2.21 -0.23 -0.03 0.51 0.08 -0.48 118.94 121.18 3i3d s TRP 769 Ca -0.01 -0.55 0.01 0.00 -2.12 0.00 0.00 56.10 53.43 3i3d s TRP 769 Cb -0.02 -1.44 0.05 0.00 -0.81 0.00 0.00 33.47 31.25 3i3d s TRP 769 CO -0.01 -0.13 -0.08 0.42 -0.51 0.00 0.00 176.95 176.64 3i3d s ILE 770 N -0.31 1.70 -1.40 2.03 1.01 -1.00 -1.72 121.20 121.51 3i3d s ILE 770 Ca 0.02 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.33 3i3d s ILE 770 Cb -0.11 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.51 3i3d s ILE 770 CO 0.01 -0.01 1.11 0.61 0.00 0.00 0.00 174.94 176.66 3i3d n GLY 771 N 4.62 -0.52 2.37 6.18 0.00 0.15 -1.98 105.19 116.02 3i3d n GLY 771 Ca -0.13 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3i3d n GLY 771 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3d n ASP 772 N -2.97 -4.92 -4.28 1.61 8.00 -1.26 -5.00 116.55 107.73 3i3d n ASP 772 Ca -0.01 0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 3i3d n ASP 772 Cb 0.56 -3.97 -0.15 0.00 -0.02 0.00 0.00 41.12 37.53 3i3d n ASP 772 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3i3d s LYS 773 N -4.29 3.21 0.30 -1.24 -0.14 -0.84 -5.06 119.74 111.68 3i3d s LYS 773 Ca 0.00 -0.77 -0.30 0.00 -1.36 0.00 0.00 55.97 53.55 3i3d s LYS 773 Cb 0.00 -2.55 -0.12 0.00 -1.68 0.00 0.00 37.83 33.48 3i3d s LYS 773 CO 0.00 0.10 1.43 0.36 -0.76 0.00 0.00 175.35 176.48 3i3d n LYS 774 N 3.81 2.31 -0.02 1.68 2.85 -1.26 -2.37 118.16 125.15 3i3d n LYS 774 Ca -0.19 0.82 0.03 0.00 -1.05 0.00 0.00 58.31 57.92 3i3d n LYS 774 Cb 0.52 -2.49 -0.10 0.00 -0.65 0.00 0.00 35.03 32.31 3i3d n LYS 774 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3i3d n GLN 775 N 1.45 0.84 -4.61 -1.58 1.13 0.37 -4.79 117.38 110.19 3i3d n GLN 775 Ca 0.08 -0.09 -0.31 0.00 -1.94 0.00 0.00 57.00 54.74 3i3d n GLN 775 Cb 0.35 -1.32 -0.12 0.00 0.11 0.00 0.00 30.24 29.25 3i3d n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i3d s LEU 776 N -4.22 2.67 -0.08 1.08 1.43 -1.26 -0.12 118.68 118.18 3i3d s LEU 776 Ca -0.05 -0.41 0.13 0.00 -1.03 0.00 0.00 54.13 52.77 3i3d s LEU 776 Cb 0.07 -1.55 -0.19 0.00 0.03 0.00 0.00 46.19 44.55 3i3d s LEU 776 CO 0.55 0.25 0.17 0.18 0.23 0.00 0.00 176.35 177.73 3i3d n LEU 777 N 1.49 0.00 -3.88 1.79 4.77 0.19 -4.66 117.00 116.70 3i3d n LEU 777 Ca -0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 3i3d n LEU 777 Cb 0.52 0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 41.64 3i3d n LEU 777 CO 0.27 0.18 -0.37 -0.89 -1.33 0.00 0.00 177.39 175.25 3i3d s THR 778 N -2.62 0.09 0.94 -5.08 2.01 -1.09 -4.94 115.64 104.95 3i3d s THR 778 Ca -0.06 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 3i3d s THR 778 Cb 0.06 -0.11 0.07 0.00 0.01 0.00 0.00 72.50 72.53 3i3d s THR 778 CO 0.56 0.04 0.64 -2.65 -0.69 0.00 0.00 174.62 172.53 3i3d n PRO 779 N 3.24 -0.33 -2.84 4.92 -0.02 -1.26 -3.29 135.00 135.42 3i3d n PRO 779 Ca -0.15 -0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.86 3i3d n PRO 779 Cb 0.58 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 3i3d n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i3d s LEU 780 N -2.78 4.04 0.14 2.45 2.96 -0.55 -4.39 118.68 120.55 3i3d s LEU 780 Ca 0.60 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.68 3i3d s LEU 780 Cb -0.22 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 3i3d s LEU 780 CO 0.64 -1.02 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.38 3i3d s ARG 781 N 3.68 1.09 0.61 1.98 0.52 -0.55 -4.13 118.95 122.14 3i3d s ARG 781 Ca 0.36 -1.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.04 3i3d s ARG 781 Cb -0.10 -0.89 -0.03 0.00 0.52 0.00 0.00 34.95 34.45 3i3d s ARG 781 CO 0.26 0.15 1.17 -0.51 0.02 0.00 0.00 175.30 176.39 3i3d s ASP 782 N -2.78 5.18 -0.02 0.23 1.11 -1.26 -1.02 116.67 118.11 3i3d s ASP 782 Ca 0.13 2.27 0.00 0.00 0.18 0.00 0.00 52.55 55.13 3i3d s ASP 782 Cb -0.02 -2.59 0.03 0.00 1.07 0.00 0.00 42.92 41.41 3i3d s ASP 782 CO 0.03 -1.59 0.03 -1.58 1.18 0.00 0.00 175.17 173.24 3i3d s GLN 783 N -3.52 -0.03 0.00 8.23 0.74 0.24 -4.81 119.66 120.51 3i3d s GLN 783 Ca 0.74 0.17 0.00 0.00 0.05 0.00 0.00 55.36 56.32 3i3d s GLN 783 Cb -0.27 -0.23 0.00 0.00 1.10 0.00 0.00 33.01 33.61 3i3d s GLN 783 CO 0.34 -0.16 0.91 1.19 -0.55 0.00 0.00 175.29 177.03 3i3d n PHE 784 N 4.10 0.00 -4.40 1.67 3.01 -1.26 -2.28 117.46 118.30 3i3d n PHE 784 Ca -0.27 -0.42 -0.20 0.00 1.01 0.00 0.00 57.45 57.58 3i3d n PHE 784 Cb 0.51 -0.04 -0.10 0.00 -0.01 0.00 0.00 39.48 39.83 3i3d n PHE 784 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3i3d s THR 785 N -0.83 1.26 0.02 4.37 -4.23 -1.26 -2.97 115.64 111.99 3i3d s THR 785 Ca 0.00 -2.05 -0.05 0.00 -1.18 0.00 0.00 61.69 58.42 3i3d s THR 785 Cb 0.00 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 3i3d s THR 785 CO 0.00 -0.20 0.08 0.00 -0.54 0.00 0.00 174.62 173.96 3i3d s ARG 786 N -3.84 0.47 -0.06 3.99 1.70 -1.26 -4.79 118.95 115.16 3i3d s ARG 786 Ca 0.32 -0.58 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 3i3d s ARG 786 Cb 0.06 0.19 -0.06 0.00 -0.57 0.00 0.00 34.95 34.56 3i3d s ARG 786 CO 0.12 -0.11 1.85 0.00 -1.08 0.00 0.00 175.30 176.08 3i3d s ALA 787 N -1.84 3.45 0.11 7.88 0.00 -1.26 -4.85 121.76 125.25 3i3d s ALA 787 Ca -0.12 1.01 -0.36 0.00 0.00 0.00 0.00 51.96 52.50 3i3d s ALA 787 Cb -0.06 -3.84 -0.16 0.00 0.00 0.00 0.00 23.12 19.05 3i3d s ALA 787 CO -0.01 -1.72 1.29 -0.35 0.00 0.00 0.00 175.76 174.97 3i3d n PRO 788 N 7.57 1.15 -2.04 0.00 -0.04 -1.26 -1.23 135.00 139.15 3i3d n PRO 788 Ca 0.20 0.41 -0.28 0.00 -0.04 0.00 0.00 63.50 63.79 3i3d n PRO 788 Cb 0.43 -2.01 0.06 0.00 -0.04 0.00 0.00 33.50 31.93 3i3d n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i3d s LEU 789 N 0.54 2.83 0.34 1.53 1.43 -1.26 -4.56 118.68 119.52 3i3d s LEU 789 Ca 0.81 0.83 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 3i3d s LEU 789 Cb -0.93 -3.52 0.70 0.00 0.03 0.00 0.00 46.19 42.47 3i3d s LEU 789 CO 0.48 -1.49 1.90 0.44 0.23 0.00 0.00 176.35 177.91 3i3d h ASP 790 N -0.67 0.74 0.37 2.29 5.19 -1.86 -0.46 116.42 122.03 3i3d h ASP 790 Ca -0.45 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 55.90 3i3d h ASP 790 Cb 1.29 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 3i3d h ASP 790 CO 0.63 0.43 -0.40 0.78 -3.12 0.00 0.00 179.24 177.57 3i3d h ASN 791 N 0.82 0.04 0.19 6.45 2.35 -1.85 -1.12 115.58 122.46 3i3d h ASN 791 Ca 0.41 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.99 3i3d h ASN 791 Cb 0.46 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3i3d h ASN 791 CO -0.17 0.43 -0.57 0.44 -1.65 0.00 0.00 177.43 175.91 3i3d h ASP 792 N 0.03 0.44 0.01 5.81 3.32 -1.41 -3.33 116.42 121.29 3i3d h ASP 792 Ca 0.00 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 3i3d h ASP 792 Cb 0.72 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3i3d h ASP 792 CO 0.05 0.92 -0.16 0.40 -1.72 0.00 0.00 179.24 178.73 3i3d h ILE 793 N 0.30 1.63 0.00 0.35 2.04 -1.06 -1.61 117.51 119.16 3i3d h ILE 793 Ca 0.00 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.80 3i3d h ILE 793 Cb 1.09 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 3i3d h ILE 793 CO 0.10 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.41 3i3d n GLY 794 N 1.23 1.57 1.24 5.37 0.00 -0.45 -2.63 105.19 111.51 3i3d n GLY 794 Ca -0.10 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.38 3i3d n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i3d n VAL 795 N 0.00 0.86 -2.03 1.61 0.24 -1.26 -4.87 118.33 112.87 3i3d n VAL 795 Ca 0.00 -0.89 -0.41 0.00 -2.04 0.00 0.00 64.34 61.00 3i3d n VAL 795 Cb 0.00 0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 32.88 3i3d n VAL 795 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i3d s SER 796 N -1.07 6.65 0.07 -1.34 0.15 -1.08 -4.84 113.70 112.24 3i3d s SER 796 Ca 0.45 2.78 -0.17 0.00 0.70 0.00 0.00 55.95 59.71 3i3d s SER 796 Cb 0.24 -2.65 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3i3d s SER 796 CO 0.31 -0.63 0.41 -1.83 1.20 0.00 0.00 173.24 172.70 3i3d s GLU 797 N -1.89 0.97 0.25 5.44 -1.05 0.12 -4.92 118.70 117.63 3i3d s GLU 797 Ca 0.50 -0.48 -0.11 0.00 -0.15 0.00 0.00 54.97 54.72 3i3d s GLU 797 Cb -0.41 0.43 0.36 0.00 -0.44 0.00 0.00 34.13 34.07 3i3d s GLU 797 CO 0.55 -0.35 1.57 0.00 0.95 0.00 0.00 175.26 177.99 3i3d h ALA 798 N 2.78 0.50 -0.00 -0.84 0.00 -2.01 0.17 119.26 119.86 3i3d h ALA 798 Ca -0.32 0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3i3d h ALA 798 Cb 1.22 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 3i3d h ALA 798 CO 0.45 -0.44 -0.66 0.00 0.00 0.00 0.00 179.25 178.59 3i3d h THR 799 N -0.01 1.47 -2.82 0.00 1.03 -2.00 -3.39 112.91 107.19 3i3d h THR 799 Ca 0.41 -2.26 -0.60 0.00 -0.01 0.00 0.00 66.41 63.95 3i3d h THR 799 Cb 0.65 2.22 -0.40 0.00 -1.07 0.00 0.00 68.15 69.55 3i3d h THR 799 CO -0.93 0.65 -0.78 -0.60 -0.01 0.00 0.00 175.52 173.84 3i3d s ARG 800 N -3.52 1.03 0.11 0.00 3.52 0.56 -5.12 118.95 115.53 3i3d s ARG 800 Ca -0.01 -1.79 -0.30 0.00 -0.13 0.00 0.00 55.73 53.50 3i3d s ARG 800 Cb 0.12 -1.95 -0.06 0.00 -1.56 0.00 0.00 34.95 31.51 3i3d s ARG 800 CO 0.77 -1.19 1.05 0.42 -0.81 0.00 0.00 175.30 175.54 3i3d s ILE 801 N 0.57 4.27 -0.43 4.11 1.01 -0.91 -0.70 121.20 129.11 3i3d s ILE 801 Ca 0.19 1.82 -0.07 0.00 0.00 0.00 0.00 60.65 62.59 3i3d s ILE 801 Cb -0.22 -4.17 0.11 0.00 0.01 0.00 0.00 42.46 38.19 3i3d s ILE 801 CO -0.01 0.25 0.27 -0.62 0.00 0.00 0.00 174.94 174.83 3i3d s ASP 802 N 0.26 5.50 0.65 3.58 2.15 -1.26 -4.91 116.67 122.65 3i3d s ASP 802 Ca 0.50 -1.87 0.36 0.00 0.43 0.00 0.00 52.55 51.98 3i3d s ASP 802 Cb -0.26 -1.93 2.01 0.00 -0.30 0.00 0.00 42.92 42.44 3i3d s ASP 802 CO 0.31 -0.60 2.17 1.55 -0.17 0.00 0.00 175.17 178.43 3i3d h PRO 803 N 8.28 0.00 0.00 4.34 0.13 -1.95 -2.13 132.00 140.68 3i3d h PRO 803 Ca -0.18 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.75 3i3d h PRO 803 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3i3d h PRO 803 CO 0.78 0.00 -0.90 -0.97 -0.23 0.00 0.00 178.00 176.67 3i3d h ASN 804 N 0.00 0.03 -3.28 1.44 -0.00 -1.95 -3.36 115.58 108.46 3i3d h ASN 804 Ca 0.02 -0.03 -0.57 0.00 -0.00 0.00 0.00 56.30 55.72 3i3d h ASN 804 Cb 0.32 -0.01 0.11 0.00 -0.00 0.00 0.00 38.32 38.74 3i3d h ASN 804 CO -0.00 0.92 0.48 0.00 -0.00 0.00 0.00 177.43 178.83 3i3d n ALA 805 N -2.38 1.20 -0.20 1.57 0.00 -0.80 -4.73 120.51 115.16 3i3d n ALA 805 Ca -0.01 0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.80 3i3d n ALA 805 Cb 0.85 -2.24 0.11 0.00 0.00 0.00 0.00 19.45 18.18 3i3d n ALA 805 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3i3d h TRP 806 N 2.48 0.22 -0.77 0.00 4.06 -1.81 -1.10 115.95 119.03 3i3d h TRP 806 Ca -0.46 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.53 3i3d h TRP 806 Cb 1.29 -0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.41 3i3d h TRP 806 CO 0.50 -0.03 0.49 -0.24 -3.56 0.00 0.00 178.44 175.60 3i3d h VAL 807 N 0.27 1.21 -0.05 1.49 3.04 -1.63 0.19 116.25 120.76 3i3d h VAL 807 Ca 0.32 -0.41 -0.13 0.00 -1.01 0.00 0.00 66.70 65.47 3i3d h VAL 807 Cb 0.48 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.84 3i3d h VAL 807 CO -0.41 0.21 -0.56 -0.33 -1.01 0.00 0.00 177.57 175.47 3i3d h GLU 808 N 1.05 0.15 -0.22 4.17 4.39 -1.58 -0.95 114.58 121.59 3i3d h GLU 808 Ca 0.28 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.72 3i3d h GLU 808 Cb -0.08 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3i3d h GLU 808 CO -0.06 0.67 -0.52 0.00 -1.16 0.00 0.00 179.01 177.94 3i3d h ARG 809 N 0.11 0.64 -0.29 2.33 3.08 -0.22 -0.62 114.38 119.42 3i3d h ARG 809 Ca -0.00 -0.39 -0.16 0.00 0.07 0.00 0.00 59.98 59.49 3i3d h ARG 809 Cb 1.02 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 3i3d h ARG 809 CO 0.08 1.01 -0.45 -1.49 -1.07 0.00 0.00 179.97 178.05 3i3d h TRP 810 N 0.50 1.01 0.55 3.04 6.55 -0.80 -2.46 115.95 124.34 3i3d h TRP 810 Ca 0.02 -0.34 -0.03 0.00 0.95 0.00 0.00 58.89 59.49 3i3d h TRP 810 Cb 1.08 -0.20 0.01 0.00 -0.86 0.00 0.00 29.16 29.19 3i3d h TRP 810 CO 0.05 1.15 -0.27 0.87 -1.05 0.00 0.00 178.44 179.19 3i3d h LYS 811 N 0.58 -0.71 -0.46 0.49 1.57 -1.13 -0.54 116.57 116.37 3i3d h LYS 811 Ca 0.03 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 3i3d h LYS 811 Cb 1.05 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3i3d h LYS 811 CO 0.10 -0.42 0.36 0.00 -0.57 0.00 0.00 179.45 178.92 3i3d h ALA 812 N -0.55 2.35 0.00 3.86 0.00 -1.17 0.29 119.26 124.04 3i3d h ALA 812 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i3d h ALA 812 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i3d h ALA 812 CO 0.12 -0.59 -0.19 0.00 0.00 0.00 0.00 179.25 178.59 3i3d n ALA 813 N -2.56 2.66 -0.79 0.00 0.00 -0.93 -4.93 120.51 113.96 3i3d n ALA 813 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i3d n ALA 813 Cb 0.56 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3i3d n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3d n GLY 814 N 1.44 0.55 0.34 0.00 0.00 0.10 -4.85 105.19 102.76 3i3d n GLY 814 Ca 0.06 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.57 3i3d n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i3d h HIS 815 N 0.00 0.81 0.00 1.61 3.86 -1.30 0.70 115.15 120.83 3i3d h HIS 815 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3i3d h HIS 815 Cb 0.00 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.20 3i3d h HIS 815 CO 0.00 0.51 -0.26 1.88 0.86 0.00 0.00 177.93 180.92 3i3d h TYR 816 N 0.87 0.00 0.01 2.45 -1.99 -1.86 -3.35 116.97 113.10 3i3d h TYR 816 Ca 0.24 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.61 3i3d h TYR 816 Cb -0.09 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.58 3i3d h TYR 816 CO -0.00 0.00 -2.23 1.04 -0.00 0.00 0.00 178.16 176.97 3i3d n GLN 817 N -2.92 0.68 -1.54 4.88 1.13 -0.73 -5.00 117.38 113.87 3i3d n GLN 817 Ca 0.03 0.11 -0.59 0.00 -1.94 0.00 0.00 57.00 54.61 3i3d n GLN 817 Cb 0.53 -1.60 -0.08 0.00 0.11 0.00 0.00 30.24 29.20 3i3d n GLN 817 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i3d n ALA 818 N -2.83 -3.02 -2.74 -1.58 0.00 0.24 -4.96 120.51 105.61 3i3d n ALA 818 Ca -0.32 0.58 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3i3d n ALA 818 Cb 1.09 -1.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 3i3d n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3d s GLU 819 N 0.44 2.98 0.09 0.00 2.02 -1.24 -4.88 118.70 118.10 3i3d s GLU 819 Ca 0.92 -0.51 -0.31 0.00 0.02 0.00 0.00 54.97 55.10 3i3d s GLU 819 Cb -1.25 -2.80 -0.06 0.00 0.10 0.00 0.00 34.13 30.11 3i3d s GLU 819 CO 0.59 0.65 1.24 0.00 0.02 0.00 0.00 175.26 177.75 3i3d s ALA 820 N -1.12 3.44 -0.18 5.21 0.00 -1.26 -3.40 121.76 124.45 3i3d s ALA 820 Ca 0.20 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 3i3d s ALA 820 Cb -0.12 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.55 3i3d s ALA 820 CO 0.11 -0.46 -0.15 0.00 0.00 0.00 0.00 175.76 175.26 3i3d s ALA 821 N 0.94 2.50 0.16 0.00 0.00 0.06 -4.93 121.76 120.48 3i3d s ALA 821 Ca 0.59 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 3i3d s ALA 821 Cb -0.31 -1.32 -0.08 0.00 0.00 0.00 0.00 23.12 21.41 3i3d s ALA 821 CO 0.30 -0.26 1.29 -1.17 0.00 0.00 0.00 175.76 175.93 3i3d s LEU 822 N 1.17 4.40 -0.06 0.00 2.96 -1.26 -0.89 118.68 125.01 3i3d s LEU 822 Ca 0.02 2.30 0.05 0.00 -0.22 0.00 0.00 54.13 56.28 3i3d s LEU 822 Cb -0.14 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 3i3d s LEU 822 CO -0.06 -0.52 0.02 0.18 -1.32 0.00 0.00 176.35 174.65 3i3d n LEU 823 N 3.10 0.00 -3.54 -0.68 4.77 0.72 -4.93 117.00 116.43 3i3d n LEU 823 Ca 0.07 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.89 3i3d n LEU 823 Cb 0.43 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 3i3d n LEU 823 CO 0.57 0.15 0.48 -1.58 -1.33 0.00 0.00 177.39 175.68 3i3d s GLN 824 N -2.15 0.98 -0.33 3.23 0.74 -1.04 -4.92 119.66 116.16 3i3d s GLN 824 Ca -0.03 0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.74 3i3d s GLN 824 Cb 0.02 0.46 0.19 0.00 1.10 0.00 0.00 33.01 34.78 3i3d s GLN 824 CO 0.25 -0.28 0.74 0.00 -0.55 0.00 0.00 175.29 175.45 3i3d s THR 826 N 2.46 2.24 -0.02 0.00 -4.23 -0.16 -4.96 115.64 110.97 3i3d s THR 826 Ca 0.16 -2.30 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 3i3d s THR 826 Cb -0.05 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.42 3i3d s THR 826 CO -0.18 -0.36 -0.09 0.00 -0.54 0.00 0.00 174.62 173.45 3i3d s ALA 827 N -2.64 0.82 0.02 3.99 0.00 -1.26 -1.15 121.76 121.53 3i3d s ALA 827 Ca 0.30 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.97 3i3d s ALA 827 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3i3d s ALA 827 CO 0.14 0.14 -0.09 -0.51 0.00 0.00 0.00 175.76 175.44 3i3d s ASP 828 N 0.18 1.03 -0.23 0.00 1.01 -0.08 -4.99 116.67 113.57 3i3d s ASP 828 Ca -0.03 -0.32 -0.09 0.00 0.71 0.00 0.00 52.55 52.82 3i3d s ASP 828 Cb -0.08 -0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 3i3d s ASP 828 CO 0.00 -0.01 0.12 -0.89 0.21 0.00 0.00 175.17 174.61 3i3d s THR 829 N -0.67 4.98 0.41 -1.27 2.01 -1.26 -0.33 115.64 119.51 3i3d s THR 829 Ca -0.01 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.10 3i3d s THR 829 Cb -0.06 -3.32 0.06 0.00 0.01 0.00 0.00 72.50 69.20 3i3d s THR 829 CO 0.00 0.36 0.53 0.18 -0.69 0.00 0.00 174.62 175.00 3i3d n LEU 830 N 4.36 0.00 -0.04 4.42 4.77 0.22 -4.98 117.00 125.76 3i3d n LEU 830 Ca -0.15 -1.81 -0.08 0.00 -0.03 0.00 0.00 56.01 53.93 3i3d n LEU 830 Cb 0.52 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3i3d n LEU 830 CO 0.34 -0.63 0.75 0.00 -1.33 0.00 0.00 177.39 176.53 3i3d h ALA 831 N 0.29 -0.01 -0.53 -1.18 0.00 -2.02 -3.29 119.26 112.53 3i3d h ALA 831 Ca -0.20 0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 3i3d h ALA 831 Cb 0.89 0.34 -0.41 0.00 0.00 0.00 0.00 17.79 18.61 3i3d h ALA 831 CO 0.29 -0.58 -1.03 -0.40 0.00 0.00 0.00 179.25 177.53 3i3d n ASP 832 N -5.31 2.56 -3.61 0.00 5.75 -1.26 -5.01 116.55 109.66 3i3d n ASP 832 Ca -0.01 -2.53 0.02 0.00 -0.01 0.00 0.00 54.79 52.25 3i3d n ASP 832 Cb 0.23 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 39.87 3i3d n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i3d s ALA 833 N -3.75 -2.26 -0.05 2.12 0.00 -1.24 -2.55 121.76 114.04 3i3d s ALA 833 Ca 0.34 0.77 0.06 0.00 0.00 0.00 0.00 51.96 53.13 3i3d s ALA 833 Cb 0.35 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3i3d s ALA 833 CO -0.02 -1.03 -0.24 0.08 0.00 0.00 0.00 175.76 174.56 3i3d s VAL 834 N -2.38 2.21 -0.20 0.00 1.01 -0.25 0.71 120.40 121.51 3i3d s VAL 834 Ca 0.14 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3i3d s VAL 834 Cb 0.05 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3i3d s VAL 834 CO -0.04 0.57 -0.15 -0.22 0.00 0.00 0.00 175.10 175.26 3i3d s LEU 835 N -0.35 2.44 -0.17 3.92 2.96 0.55 -1.67 118.68 126.36 3i3d s LEU 835 Ca 0.02 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 3i3d s LEU 835 Cb -0.12 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3i3d s LEU 835 CO 0.02 -0.02 0.01 -0.63 -1.32 0.00 0.00 176.35 174.41 3i3d s ILE 836 N 1.33 4.33 -0.10 6.68 -1.09 -0.19 -0.90 121.20 131.25 3i3d s ILE 836 Ca 0.04 -0.20 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 3i3d s ILE 836 Cb -0.14 -2.93 -0.00 0.00 -1.58 0.00 0.00 42.46 37.81 3i3d s ILE 836 CO -0.10 0.47 -0.23 -0.89 -1.23 0.00 0.00 174.94 172.97 3i3d s THR 837 N 0.39 2.19 0.11 2.92 2.01 -0.30 -0.04 115.64 122.92 3i3d s THR 837 Ca -0.00 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3i3d s THR 837 Cb -0.13 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3i3d s THR 837 CO 0.02 0.56 -0.08 0.42 -0.69 0.00 0.00 174.62 174.84 3i3d s THR 838 N 0.31 0.85 -0.12 -0.82 -4.23 -0.53 -0.98 115.64 110.12 3i3d s THR 838 Ca -0.17 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.35 3i3d s THR 838 Cb -0.17 -1.66 0.04 0.00 1.34 0.00 0.00 72.50 72.05 3i3d s THR 838 CO 0.08 -0.79 0.30 0.00 -0.54 0.00 0.00 174.62 173.67 3i3d s ALA 839 N -3.34 -0.72 0.10 3.99 0.00 -0.60 -1.27 121.76 119.92 3i3d s ALA 839 Ca 0.12 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.16 3i3d s ALA 839 Cb 0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3i3d s ALA 839 CO -0.03 -0.19 -0.08 -1.01 0.00 0.00 0.00 175.76 174.45 3i3d s HIS 840 N 0.91 0.96 -0.06 0.00 3.76 -0.19 -0.20 115.29 120.48 3i3d s HIS 840 Ca -0.06 -0.79 -0.01 0.00 -0.15 0.00 0.00 55.06 54.05 3i3d s HIS 840 Cb -0.07 -0.54 0.03 0.00 1.11 0.00 0.00 32.58 33.11 3i3d s HIS 840 CO -0.06 -0.08 0.00 0.00 -0.85 0.00 0.00 174.74 173.75 3i3d s ALA 841 N -3.07 0.56 -0.28 -1.40 0.00 -0.07 -1.37 121.76 116.13 3i3d s ALA 841 Ca 0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 3i3d s ALA 841 Cb 0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 3i3d s ALA 841 CO -0.02 -0.34 0.34 -1.58 0.00 0.00 0.00 175.76 174.16 3i3d s TRP 842 N 1.70 3.23 0.25 0.00 0.51 -0.51 -0.76 118.94 123.36 3i3d s TRP 842 Ca 0.00 0.28 0.10 0.00 -2.12 0.00 0.00 56.10 54.36 3i3d s TRP 842 Cb -0.13 -2.56 -0.05 0.00 -0.81 0.00 0.00 33.47 29.93 3i3d s TRP 842 CO -0.04 -0.25 -0.17 -0.65 -0.51 0.00 0.00 176.95 175.33 3i3d s GLN 843 N 2.01 1.54 -0.19 4.98 -0.21 -1.22 0.10 119.66 126.66 3i3d s GLN 843 Ca 0.13 -1.70 -0.04 0.00 0.02 0.00 0.00 55.36 53.77 3i3d s GLN 843 Cb -0.16 -1.48 0.09 0.00 1.00 0.00 0.00 33.01 32.46 3i3d s GLN 843 CO 0.10 0.26 0.22 -1.58 -2.12 0.00 0.00 175.29 172.17 3i3d s HIS 844 N -2.72 -0.28 -1.30 0.91 2.46 0.96 -3.70 115.29 111.63 3i3d s HIS 844 Ca 0.27 0.28 -0.09 0.00 0.47 0.00 0.00 55.06 55.98 3i3d s HIS 844 Cb -0.03 -0.34 -0.00 0.00 -0.13 0.00 0.00 32.58 32.08 3i3d s HIS 844 CO 0.12 -0.57 0.57 1.04 -2.47 0.00 0.00 174.74 173.42 3i3d n GLN 845 N 5.32 -2.41 0.00 2.88 6.02 -1.26 -1.41 117.38 126.51 3i3d n GLN 845 Ca -0.05 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 3i3d n GLN 845 Cb 0.50 -4.27 0.00 0.00 1.02 0.00 0.00 30.24 27.48 3i3d n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3d n GLY 846 N -1.88 2.35 3.73 1.08 0.00 -1.26 -5.02 105.19 104.19 3i3d n GLY 846 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3i3d n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i3d s LYS 847 N -0.27 4.26 -0.60 1.61 2.47 -0.50 -5.04 119.74 121.67 3i3d s LYS 847 Ca 0.00 0.21 -0.21 0.00 -1.56 0.00 0.00 55.97 54.41 3i3d s LYS 847 Cb 0.00 -3.42 0.07 0.00 -1.46 0.00 0.00 37.83 33.02 3i3d s LYS 847 CO 0.00 0.23 0.83 0.99 0.16 0.00 0.00 175.35 177.57 3i3d s THR 848 N 0.45 4.56 -0.03 3.43 2.01 -1.26 -0.03 115.64 124.78 3i3d s THR 848 Ca 0.20 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 3i3d s THR 848 Cb -0.14 -4.55 -0.16 0.00 0.01 0.00 0.00 72.50 67.66 3i3d s THR 848 CO 0.06 -1.22 1.04 -0.07 -0.69 0.00 0.00 174.62 173.73 3i3d h LEU 849 N 10.65 -0.23 -8.41 4.42 3.38 -0.69 -3.41 115.31 121.03 3i3d h LEU 849 Ca -0.28 -0.30 -0.19 0.00 0.09 0.00 0.00 57.88 57.19 3i3d h LEU 849 Cb 1.08 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 3i3d h LEU 849 CO 1.11 0.25 -0.68 -0.36 0.09 0.00 0.00 178.44 178.86 3i3d s PHE 850 N -3.93 0.81 -0.05 1.13 0.40 -1.14 -1.84 117.98 113.36 3i3d s PHE 850 Ca -0.13 -1.02 -0.00 0.00 -0.60 0.00 0.00 56.93 55.18 3i3d s PHE 850 Cb 0.01 -0.50 0.03 0.00 0.51 0.00 0.00 43.02 43.07 3i3d s PHE 850 CO 0.52 -0.27 -0.02 0.42 0.70 0.00 0.00 175.22 176.57 3i3d s ILE 851 N -3.77 0.39 -0.19 0.64 1.01 -0.59 -1.43 121.20 117.26 3i3d s ILE 851 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 3i3d s ILE 851 Cb 0.06 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.06 3i3d s ILE 851 CO -0.04 0.22 -0.15 -0.55 0.00 0.00 0.00 174.94 174.41 3i3d s SER 852 N 1.34 3.50 -0.17 3.58 0.15 -0.47 -0.87 113.70 120.77 3i3d s SER 852 Ca -0.05 -0.56 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 3i3d s SER 852 Cb -0.13 -1.56 -0.01 0.00 -1.71 0.00 0.00 66.02 62.61 3i3d s SER 852 CO -0.02 0.00 -0.10 -0.13 1.20 0.00 0.00 173.24 174.19 3i3d s ARG 853 N 1.30 3.38 0.17 5.44 0.52 -0.25 -1.02 118.95 128.49 3i3d s ARG 853 Ca 0.04 -0.66 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 3i3d s ARG 853 Cb -0.14 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.51 3i3d s ARG 853 CO -0.09 0.05 -0.04 0.15 0.02 0.00 0.00 175.30 175.38 3i3d s LYS 854 N 0.80 1.14 -0.03 3.54 1.02 -0.39 -0.96 119.74 124.86 3i3d s LYS 854 Ca -0.03 -1.53 -0.02 0.00 0.02 0.00 0.00 55.97 54.41 3i3d s LYS 854 Cb -0.15 -0.50 0.02 0.00 -0.52 0.00 0.00 37.83 36.68 3i3d s LYS 854 CO 0.01 -0.04 0.08 0.95 -0.92 0.00 0.00 175.35 175.43 3i3d s THR 855 N -3.46 -0.02 -0.16 2.17 -4.23 -0.87 -1.45 115.64 107.63 3i3d s THR 855 Ca 0.22 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.82 3i3d s THR 855 Cb 0.05 -0.13 0.01 0.00 1.34 0.00 0.00 72.50 73.77 3i3d s THR 855 CO 0.03 0.03 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.64 3i3d s TYR 856 N 0.48 2.73 -0.26 3.99 1.51 0.95 -1.46 117.35 125.28 3i3d s TYR 856 Ca -0.04 -1.37 0.02 0.00 -1.01 0.00 0.00 57.07 54.67 3i3d s TYR 856 Cb -0.05 -1.87 0.05 0.00 -0.11 0.00 0.00 41.96 39.98 3i3d s TYR 856 CO -0.02 -0.64 -0.10 0.50 -1.11 0.00 0.00 175.55 174.18 3i3d s ARG 857 N 0.97 2.38 -0.32 -0.62 3.52 0.05 -1.02 118.95 123.91 3i3d s ARG 857 Ca -0.03 -1.26 -0.09 0.00 -0.13 0.00 0.00 55.73 54.21 3i3d s ARG 857 Cb -0.15 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 3i3d s ARG 857 CO -0.05 -0.53 0.15 0.42 -0.81 0.00 0.00 175.30 174.48 3i3d s ILE 858 N 1.16 4.51 0.46 4.11 1.01 -0.67 -1.02 121.20 130.76 3i3d s ILE 858 Ca -0.06 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.13 3i3d s ILE 858 Cb -0.19 -3.34 0.08 0.00 0.01 0.00 0.00 42.46 39.02 3i3d s ILE 858 CO -0.05 0.02 0.64 -0.90 0.00 0.00 0.00 174.94 174.65 3i3d n ASP 859 N 4.97 1.65 0.15 3.58 5.68 -1.06 -1.09 116.55 130.43 3i3d n ASP 859 Ca -0.14 -2.21 0.12 0.00 -0.50 0.00 0.00 54.79 52.06 3i3d n ASP 859 Cb 0.48 -0.34 0.53 0.00 -1.14 0.00 0.00 41.12 40.65 3i3d n ASP 859 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i3d n GLY 860 N -0.62 -1.18 0.11 6.12 0.00 -1.06 -1.73 105.19 106.84 3i3d n GLY 860 Ca 0.13 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.42 3i3d n GLY 860 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i3d n SER 861 N -2.28 0.41 0.00 1.61 3.41 -1.26 -4.54 113.62 110.97 3i3d n SER 861 Ca 0.01 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 3i3d n SER 861 Cb 0.18 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3i3d n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3d n GLY 862 N 1.25 0.82 3.82 5.00 0.00 -0.70 -5.04 105.19 110.33 3i3d n GLY 862 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3i3d n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3d s GLN 863 N -0.38 4.24 -0.27 1.61 -0.21 -1.26 -4.78 119.66 118.60 3i3d s GLN 863 Ca 0.00 0.91 0.00 0.00 0.02 0.00 0.00 55.36 56.30 3i3d s GLN 863 Cb 0.00 -2.70 0.05 0.00 1.00 0.00 0.00 33.01 31.36 3i3d s GLN 863 CO 0.00 0.28 -0.07 1.41 -2.12 0.00 0.00 175.29 174.80 3i3d s MET 864 N -2.33 2.42 -0.28 2.91 -2.45 -0.02 -2.56 119.30 116.99 3i3d s MET 864 Ca 0.48 -1.25 -0.18 0.00 -1.25 0.00 0.00 55.69 53.50 3i3d s MET 864 Cb -0.15 -3.00 -0.02 0.00 1.25 0.00 0.00 34.83 32.91 3i3d s MET 864 CO 0.20 -0.55 0.51 0.00 1.05 0.00 0.00 175.02 176.23 3i3d s ALA 865 N 1.20 3.57 -0.19 4.11 0.00 -0.19 -0.12 121.76 130.13 3i3d s ALA 865 Ca -0.06 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 3i3d s ALA 865 Cb -0.19 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3i3d s ALA 865 CO -0.04 -0.81 -0.01 0.42 0.00 0.00 0.00 175.76 175.32 3i3d s ILE 866 N 2.32 3.89 -0.17 0.00 1.01 0.34 -0.77 121.20 127.83 3i3d s ILE 866 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 3i3d s ILE 866 Cb -0.16 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 3i3d s ILE 866 CO 0.10 0.44 -0.13 -0.89 0.00 0.00 0.00 174.94 174.46 3i3d s THR 867 N 0.91 2.79 -0.09 2.92 2.01 -0.54 -0.28 115.64 123.37 3i3d s THR 867 Ca 0.01 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.32 3i3d s THR 867 Cb -0.14 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.17 3i3d s THR 867 CO 0.02 0.50 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.54 3i3d s VAL 868 N 0.93 1.85 -0.16 3.82 1.01 -0.06 -2.04 120.40 125.74 3i3d s VAL 868 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3i3d s VAL 868 Cb -0.15 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3i3d s VAL 868 CO -0.01 0.51 -0.04 -1.81 0.00 0.00 0.00 175.10 173.75 3i3d s ASP 869 N 0.39 2.79 0.03 3.32 1.01 -0.13 -1.66 116.67 122.41 3i3d s ASP 869 Ca -0.17 -0.66 0.05 0.00 0.71 0.00 0.00 52.55 52.47 3i3d s ASP 869 Cb -0.17 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.88 3i3d s ASP 869 CO 0.08 -0.20 -0.10 -0.69 0.21 0.00 0.00 175.17 174.47 3i3d s VAL 870 N 1.68 3.42 -0.08 -1.27 1.01 0.30 -1.09 120.40 124.36 3i3d s VAL 870 Ca 0.01 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3i3d s VAL 870 Cb -0.15 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3i3d s VAL 870 CO -0.07 0.34 -0.20 -1.61 0.00 0.00 0.00 175.10 173.56 3i3d s GLU 871 N -1.53 2.87 -0.17 2.72 2.02 -0.05 -0.94 118.70 123.63 3i3d s GLU 871 Ca 0.17 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.36 3i3d s GLU 871 Cb -0.11 -2.35 0.02 0.00 0.10 0.00 0.00 34.13 31.79 3i3d s GLU 871 CO 0.08 0.33 -0.17 0.08 0.02 0.00 0.00 175.26 175.60 3i3d s VAL 872 N -0.01 1.84 -0.16 2.63 1.01 0.46 -1.55 120.40 124.63 3i3d s VAL 872 Ca -0.06 -0.84 -0.39 0.00 0.00 0.00 0.00 61.98 60.68 3i3d s VAL 872 Cb -0.15 -1.71 -0.16 0.00 0.00 0.00 0.00 36.38 34.36 3i3d s VAL 872 CO 0.05 0.47 1.58 0.00 0.00 0.00 0.00 175.10 177.19 3i3d n ALA 873 N 4.68 -0.64 0.28 5.51 0.00 -0.77 -4.66 120.51 124.91 3i3d n ALA 873 Ca -0.19 0.44 0.17 0.00 0.00 0.00 0.00 53.44 53.86 3i3d n ALA 873 Cb 0.50 -2.14 0.93 0.00 0.00 0.00 0.00 19.45 18.73 3i3d n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i3d h SER 874 N 6.06 0.00 -0.34 0.00 4.64 -1.93 -2.21 113.55 119.77 3i3d h SER 874 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i3d h SER 874 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3i3d h SER 874 CO 0.89 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.95 3i3d n ASP 875 N -3.70 2.75 -4.89 4.97 5.75 -1.26 -4.89 116.55 115.29 3i3d n ASP 875 Ca -0.02 -1.90 -0.35 0.00 -0.01 0.00 0.00 54.79 52.51 3i3d n ASP 875 Cb 0.16 -0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 39.98 3i3d n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3i3d s THR 876 N -1.56 5.45 0.27 2.12 -1.32 -0.83 -5.03 115.64 114.73 3i3d s THR 876 Ca 0.36 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.56 3i3d s THR 876 Cb 0.20 -3.46 -0.14 0.00 -1.51 0.00 0.00 72.50 67.59 3i3d s THR 876 CO 0.29 0.46 1.06 -0.81 -2.21 0.00 0.00 174.62 173.41 3i3d n PRO 877 N 1.43 1.39 -1.68 7.08 -0.04 -1.26 -4.81 135.00 137.12 3i3d n PRO 877 Ca -0.15 0.49 -0.45 0.00 -0.04 0.00 0.00 63.50 63.35 3i3d n PRO 877 Cb 0.54 -1.90 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 3i3d n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i3d n HIS 878 N 0.46 2.34 -2.03 0.54 8.25 -1.26 -4.94 115.22 118.58 3i3d n HIS 878 Ca 0.10 0.26 -0.36 0.00 -0.26 0.00 0.00 57.72 57.46 3i3d n HIS 878 Cb 0.31 -2.55 0.03 0.00 1.12 0.00 0.00 29.99 28.90 3i3d n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3i3d s PRO 879 N 0.77 3.02 0.44 -0.41 0.04 -1.26 -4.88 135.00 132.72 3i3d s PRO 879 Ca 0.77 1.82 0.23 0.00 0.04 0.00 0.00 61.00 63.86 3i3d s PRO 879 Cb -0.65 -1.95 0.99 0.00 0.04 0.00 0.00 34.50 32.93 3i3d s PRO 879 CO 0.39 -1.17 1.87 0.00 0.04 0.00 0.00 177.00 178.13 3i3d h ALA 880 N 0.95 1.10 -2.30 8.56 0.00 -1.90 -3.40 119.26 122.27 3i3d h ALA 880 Ca -0.50 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.31 3i3d h ALA 880 Cb 1.29 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 3i3d h ALA 880 CO 0.55 0.30 0.49 -0.98 0.00 0.00 0.00 179.25 179.62 3i3d s ARG 881 N -3.81 0.90 -0.27 0.00 1.70 -1.22 -0.49 118.95 115.75 3i3d s ARG 881 Ca -0.01 -0.38 -0.03 0.00 -0.47 0.00 0.00 55.73 54.85 3i3d s ARG 881 Cb 0.11 0.39 0.09 0.00 -0.57 0.00 0.00 34.95 34.97 3i3d s ARG 881 CO 0.64 -0.40 0.10 0.42 -1.08 0.00 0.00 175.30 174.98 3i3d s ILE 882 N -3.16 0.33 0.00 4.99 1.01 -0.06 -4.05 121.20 120.25 3i3d s ILE 882 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3i3d s ILE 882 Cb -0.01 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.27 3i3d s ILE 882 CO -0.07 -0.61 0.00 0.61 0.00 0.00 0.00 174.94 174.87 3i3d n GLY 883 N 5.09 2.16 3.35 6.18 0.00 -0.97 0.18 105.19 121.19 3i3d n GLY 883 Ca -0.05 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 3i3d n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3d s LEU 884 N 0.00 2.51 0.05 0.99 1.43 0.86 -0.59 118.68 123.92 3i3d s LEU 884 Ca 0.00 -1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 51.84 3i3d s LEU 884 Cb 0.00 -0.60 0.04 0.00 0.03 0.00 0.00 46.19 45.66 3i3d s LEU 884 CO 0.00 -0.25 0.43 0.54 0.23 0.00 0.00 176.35 177.30 3i3d s ASN 885 N -3.33 -0.31 -0.01 2.29 4.22 -0.19 -0.75 114.94 116.86 3i3d s ASN 885 Ca 0.24 0.01 -0.29 0.00 -2.14 0.00 0.00 52.86 50.68 3i3d s ASN 885 Cb 0.01 0.44 0.10 0.00 1.28 0.00 0.00 41.25 43.09 3i3d s ASN 885 CO 0.08 -0.69 0.87 0.00 -2.04 0.00 0.00 177.10 175.32 3i3d s GLN 887 N -2.84 2.90 0.23 0.00 0.74 -1.21 -1.04 119.66 118.44 3i3d s GLN 887 Ca 0.03 -1.05 -0.30 0.00 0.05 0.00 0.00 55.36 54.09 3i3d s GLN 887 Cb -0.01 -3.87 -0.09 0.00 1.10 0.00 0.00 33.01 30.14 3i3d s GLN 887 CO -0.07 -0.73 1.11 -0.51 -0.55 0.00 0.00 175.29 174.54 3i3d s LEU 888 N 1.62 4.51 0.28 3.68 1.43 0.16 0.56 118.68 130.93 3i3d s LEU 888 Ca 0.04 2.19 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 3i3d s LEU 888 Cb -0.19 -3.62 0.41 0.00 0.03 0.00 0.00 46.19 42.82 3i3d s LEU 888 CO 0.09 -0.20 1.73 0.00 0.23 0.00 0.00 176.35 178.20 3i3d h ALA 889 N 4.52 1.11 -2.17 4.21 0.00 -0.79 0.23 119.26 126.38 3i3d h ALA 889 Ca -0.45 -0.32 -0.46 0.00 0.00 0.00 0.00 54.91 53.67 3i3d h ALA 889 Cb 1.21 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3i3d h ALA 889 CO 0.70 0.55 0.36 -1.14 0.00 0.00 0.00 179.25 179.72 3i3d s GLN 890 N -4.60 4.01 -0.22 0.00 0.74 -1.26 -4.11 119.66 114.23 3i3d s GLN 890 Ca -0.07 0.98 -0.01 0.00 0.05 0.00 0.00 55.36 56.31 3i3d s GLN 890 Cb 0.14 -2.16 0.06 0.00 1.10 0.00 0.00 33.01 32.15 3i3d s GLN 890 CO 0.79 -0.20 -0.02 0.08 -0.55 0.00 0.00 175.29 175.39 3i3d s VAL 891 N -2.50 1.15 0.29 1.34 1.01 -1.26 -3.17 120.40 117.26 3i3d s VAL 891 Ca 0.59 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3i3d s VAL 891 Cb -0.10 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3i3d s VAL 891 CO 0.27 -0.14 0.22 0.00 0.00 0.00 0.00 175.10 175.45 3i3d s ALA 892 N 1.57 3.65 0.05 5.51 0.00 -1.26 -5.06 121.76 126.22 3i3d s ALA 892 Ca -0.04 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 3i3d s ALA 892 Cb -0.18 -1.17 -0.32 0.00 0.00 0.00 0.00 23.12 21.45 3i3d s ALA 892 CO -0.07 0.14 1.07 0.93 0.00 0.00 0.00 175.76 177.83 3i3d h GLU 893 N 1.43 0.50 -6.36 0.00 5.08 -2.00 -3.42 114.58 109.79 3i3d h GLU 893 Ca -0.46 -0.79 -0.61 0.00 -1.00 0.00 0.00 59.36 56.50 3i3d h GLU 893 Cb 1.25 0.29 -0.13 0.00 0.50 0.00 0.00 28.75 30.65 3i3d h GLU 893 CO 0.60 1.37 -0.72 1.03 -1.00 0.00 0.00 179.01 180.29 3i3d s ARG 894 N -2.71 2.02 -0.15 2.33 1.81 -1.26 -0.66 118.95 120.32 3i3d s ARG 894 Ca -0.08 -1.40 -0.01 0.00 -1.72 0.00 0.00 55.73 52.52 3i3d s ARG 894 Cb 0.05 -2.07 0.04 0.00 -0.45 0.00 0.00 34.95 32.51 3i3d s ARG 894 CO 0.93 0.40 -0.05 0.08 -0.68 0.00 0.00 175.30 175.98 3i3d s VAL 895 N -1.98 1.02 -0.14 3.52 1.01 0.43 -4.55 120.40 119.72 3i3d s VAL 895 Ca 0.27 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 3i3d s VAL 895 Cb -0.08 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3i3d s VAL 895 CO 0.16 0.18 -0.13 0.21 0.00 0.00 0.00 175.10 175.52 3i3d s ASN 896 N 1.68 4.00 -0.02 3.32 3.84 -0.85 -1.63 114.94 125.28 3i3d s ASN 896 Ca 0.02 -0.34 -0.14 0.00 0.21 0.00 0.00 52.86 52.61 3i3d s ASN 896 Cb -0.15 -1.61 0.02 0.00 -0.55 0.00 0.00 41.25 38.96 3i3d s ASN 896 CO -0.08 0.15 0.29 -1.66 -2.79 0.00 0.00 177.10 173.02 3i3d s TRP 897 N 0.44 -0.17 -0.45 0.43 -2.14 0.39 0.60 118.94 118.04 3i3d s TRP 897 Ca -0.10 0.27 -0.10 0.00 2.66 0.00 0.00 56.10 58.82 3i3d s TRP 897 Cb -0.16 0.08 0.10 0.00 -3.10 0.00 0.00 33.47 30.39 3i3d s TRP 897 CO 0.05 -0.36 0.33 -1.17 -2.66 0.00 0.00 176.95 173.13 3i3d s LEU 898 N -1.23 5.49 0.00 -4.66 2.96 0.07 -0.19 118.68 121.12 3i3d s LEU 898 Ca -0.13 -1.65 0.00 0.00 -0.22 0.00 0.00 54.13 52.13 3i3d s LEU 898 Cb -0.05 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.60 3i3d s LEU 898 CO 0.04 -0.63 0.00 0.61 -1.32 0.00 0.00 176.35 175.04 3i3d n GLY 899 N 4.97 -0.82 3.75 7.98 0.00 -0.74 -0.82 105.19 119.52 3i3d n GLY 899 Ca -0.10 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 3i3d n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3d s LEU 900 N 0.00 4.42 0.00 0.99 1.43 -0.85 -1.56 118.68 123.11 3i3d s LEU 900 Ca 0.00 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 3i3d s LEU 900 Cb 0.00 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.10 3i3d s LEU 900 CO 0.00 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3i3d n GLY 901 N 2.49 -0.65 0.24 -3.19 0.00 -0.68 -4.46 105.19 98.94 3i3d n GLY 901 Ca -0.04 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.63 3i3d n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3d h PRO 902 N 0.00 0.00 -7.41 1.61 0.13 -1.94 -1.23 132.00 123.16 3i3d h PRO 902 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 3i3d h PRO 902 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 3i3d h PRO 902 CO 0.00 0.00 0.37 -0.65 -0.23 0.00 0.00 178.00 177.49 3i3d s GLN 903 N -3.40 2.92 0.16 0.86 -0.21 -1.26 -5.00 119.66 113.74 3i3d s GLN 903 Ca 0.05 0.40 -0.34 0.00 0.02 0.00 0.00 55.36 55.49 3i3d s GLN 903 Cb 0.07 -2.07 -0.15 0.00 1.00 0.00 0.00 33.01 31.86 3i3d s GLN 903 CO 0.62 -0.95 1.38 -1.91 -2.12 0.00 0.00 175.29 172.30 3i3d n GLU 904 N -2.92 1.63 -3.76 2.91 2.13 -1.26 -4.90 120.64 114.48 3i3d n GLU 904 Ca 0.06 0.58 -0.13 0.00 0.66 0.00 0.00 57.16 58.34 3i3d n GLU 904 Cb 0.57 -2.23 -0.11 0.00 0.27 0.00 0.00 31.44 29.94 3i3d n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3i3d s ASN 905 N 0.43 -0.35 0.35 4.31 2.20 0.23 -4.91 114.94 117.20 3i3d s ASN 905 Ca 0.76 0.68 0.09 0.00 -0.94 0.00 0.00 52.86 53.45 3i3d s ASN 905 Cb -0.78 0.69 -0.07 0.00 -2.00 0.00 0.00 41.25 39.09 3i3d s ASN 905 CO 0.46 -0.12 -0.08 -0.31 -2.94 0.00 0.00 177.10 174.12 3i3d s TYR 906 N 0.18 2.42 0.27 1.54 1.51 -0.62 -3.79 117.35 118.87 3i3d s TYR 906 Ca -0.00 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 3i3d s TYR 906 Cb -0.02 -1.43 0.50 0.00 -0.11 0.00 0.00 41.96 40.90 3i3d s TYR 906 CO 0.00 0.57 1.59 -1.35 -1.11 0.00 0.00 175.55 175.25 3i3d h PRO 907 N 1.98 0.02 -0.54 -1.71 0.11 -1.85 0.25 132.00 130.27 3i3d h PRO 907 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3i3d h PRO 907 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i3d h PRO 907 CO 0.71 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3i3d n ASP 908 N -5.50 2.90 -3.03 -2.05 5.75 -1.26 -4.37 116.55 108.98 3i3d n ASP 908 Ca 0.16 -2.00 -0.18 0.00 -0.01 0.00 0.00 54.79 52.76 3i3d n ASP 908 Cb 0.54 -0.36 -0.03 0.00 -1.03 0.00 0.00 41.12 40.24 3i3d n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3i3d n ARG 909 N 1.09 0.71 0.00 0.11 0.63 0.85 -0.12 116.66 119.94 3i3d n ARG 909 Ca 0.18 -2.67 0.00 0.00 -0.92 0.00 0.00 57.85 54.44 3i3d n ARG 909 Cb 0.46 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 32.04 3i3d n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3i3d n LEU 910 N 1.57 0.00 -0.06 6.15 -0.00 -1.01 -1.58 117.00 122.08 3i3d n LEU 910 Ca 0.17 -0.01 -0.04 0.00 -0.00 0.00 0.00 56.01 56.13 3i3d n LEU 910 Cb 0.56 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 44.17 3i3d n LEU 910 CO 0.12 0.01 0.84 0.71 -0.00 0.00 0.00 177.39 179.07 3i3d h THR 911 N 2.92 1.24 -0.05 1.47 1.35 -1.91 -2.85 112.91 115.08 3i3d h THR 911 Ca 0.00 -1.06 -0.09 0.00 -0.55 0.00 0.00 66.41 64.71 3i3d h THR 911 Cb 0.98 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3i3d h THR 911 CO 0.00 0.36 -0.37 0.00 -0.25 0.00 0.00 175.52 175.26 3i3d h ALA 912 N 1.30 1.29 -2.81 6.62 0.00 -1.87 -3.44 119.26 120.33 3i3d h ALA 912 Ca 0.11 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 54.14 3i3d h ALA 912 Cb 0.51 -0.07 0.08 0.00 0.00 0.00 0.00 17.79 18.31 3i3d h ALA 912 CO 0.03 0.51 0.55 0.00 0.00 0.00 0.00 179.25 180.34 3i3d s ALA 913 N -4.21 3.06 0.04 0.00 0.00 -1.08 -5.01 121.76 114.56 3i3d s ALA 913 Ca -0.04 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.09 3i3d s ALA 913 Cb 0.14 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3i3d s ALA 913 CO 0.74 -0.82 -0.17 0.00 0.00 0.00 0.00 175.76 175.52 3i3d s PHE 915 N -0.94 3.40 0.01 0.00 5.36 -1.26 -1.69 117.98 122.86 3i3d s PHE 915 Ca 0.15 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.52 3i3d s PHE 915 Cb -0.11 -3.16 0.01 0.00 -0.34 0.00 0.00 43.02 39.42 3i3d s PHE 915 CO 0.06 -0.35 0.08 -3.47 -1.46 0.00 0.00 175.22 170.08 3i3d n ASP 916 N 5.70 -0.11 -4.55 6.13 -0.08 -0.60 -4.91 116.55 118.13 3i3d n ASP 916 Ca 0.09 -1.04 -0.41 0.00 -1.51 0.00 0.00 54.79 51.92 3i3d n ASP 916 Cb 0.47 0.17 -0.09 0.00 2.34 0.00 0.00 41.12 44.02 3i3d n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3i3d s ARG 917 N -2.00 3.63 0.01 -0.67 6.06 -1.26 -1.78 118.95 122.93 3i3d s ARG 917 Ca 0.02 -0.31 0.05 0.00 -2.50 0.00 0.00 55.73 52.99 3i3d s ARG 917 Cb -0.00 -3.79 -0.03 0.00 0.06 0.00 0.00 34.95 31.19 3i3d s ARG 917 CO 0.00 -0.52 -0.14 -1.58 -2.50 0.00 0.00 175.30 170.56 3i3d s TRP 918 N 2.10 2.69 -0.07 5.12 0.52 0.73 -4.97 118.94 125.07 3i3d s TRP 918 Ca 0.14 -0.17 -0.02 0.00 0.02 0.00 0.00 56.10 56.06 3i3d s TRP 918 Cb -0.16 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.65 3i3d s TRP 918 CO 0.12 0.27 0.06 0.34 0.02 0.00 0.00 176.95 177.75 3i3d s ASP 919 N -1.26 1.42 0.13 2.95 2.15 -1.26 -0.46 116.67 120.33 3i3d s ASP 919 Ca 0.15 -0.07 -0.00 0.00 0.43 0.00 0.00 52.55 53.06 3i3d s ASP 919 Cb -0.11 -0.20 -0.04 0.00 -0.30 0.00 0.00 42.92 42.27 3i3d s ASP 919 CO 0.05 -0.26 0.02 -0.76 -0.17 0.00 0.00 175.17 174.05 3i3d s LEU 920 N 2.13 2.02 0.37 -1.34 1.43 -0.65 -4.96 118.68 117.69 3i3d s LEU 920 Ca 0.04 -1.15 -0.25 0.00 -1.03 0.00 0.00 54.13 51.74 3i3d s LEU 920 Cb -0.13 0.17 -0.09 0.00 0.03 0.00 0.00 46.19 46.17 3i3d s LEU 920 CO -0.04 -0.65 1.06 -2.16 0.23 0.00 0.00 176.35 174.79 3i3d s PRO 921 N -3.98 4.28 0.35 1.29 0.04 -1.26 -0.42 135.00 135.30 3i3d s PRO 921 Ca 0.20 1.59 0.17 0.00 0.04 0.00 0.00 61.00 63.00 3i3d s PRO 921 Cb 0.07 -2.70 1.18 0.00 0.04 0.00 0.00 34.50 33.08 3i3d s PRO 921 CO -0.00 -0.05 1.64 1.25 0.04 0.00 0.00 177.00 179.87 3i3d h LEU 922 N 2.83 0.45 -1.51 -3.56 5.85 -1.15 0.56 115.31 118.77 3i3d h LEU 922 Ca -0.48 0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.54 3i3d h LEU 922 Cb 1.21 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 3i3d h LEU 922 CO 0.63 -0.22 0.44 0.77 -0.34 0.00 0.00 178.44 179.73 3i3d h SER 923 N 0.23 0.50 0.68 1.25 4.64 -1.91 -0.50 113.55 118.44 3i3d h SER 923 Ca 0.77 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.10 3i3d h SER 923 Cb 1.87 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3i3d h SER 923 CO -0.64 0.31 0.00 0.47 -0.87 0.00 0.00 176.83 176.09 3i3d n ASP 924 N -4.48 0.47 -0.32 4.97 8.00 0.19 -2.32 116.55 123.05 3i3d n ASP 924 Ca 0.11 0.61 0.05 0.00 0.71 0.00 0.00 54.79 56.27 3i3d n ASP 924 Cb 0.32 -0.71 0.20 0.00 -0.02 0.00 0.00 41.12 40.91 3i3d n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i3d n MET 925 N -2.02 1.41 -4.46 -1.24 2.81 -0.19 -4.72 117.12 108.71 3i3d n MET 925 Ca 0.03 -0.63 -0.25 0.00 -1.81 0.00 0.00 57.70 55.04 3i3d n MET 925 Cb 0.22 -1.21 -0.17 0.00 -0.71 0.00 0.00 33.22 31.35 3i3d n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3i3d s TYR 926 N -1.80 1.46 -0.31 2.03 5.04 -0.98 -4.44 117.35 118.35 3i3d s TYR 926 Ca 0.18 -0.58 -0.13 0.00 -2.44 0.00 0.00 57.07 54.10 3i3d s TYR 926 Cb 0.09 -1.10 -0.03 0.00 0.35 0.00 0.00 41.96 41.27 3i3d s TYR 926 CO 0.13 -0.32 0.26 0.99 -1.34 0.00 0.00 175.55 175.27 3i3d s THR 927 N 0.85 5.26 -0.33 4.34 2.01 -1.26 -4.97 115.64 121.55 3i3d s THR 927 Ca -0.11 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 3i3d s THR 927 Cb -0.15 -3.67 -0.14 0.00 0.01 0.00 0.00 72.50 68.55 3i3d s THR 927 CO 0.01 0.08 2.43 -0.81 -0.69 0.00 0.00 174.62 175.64 3i3d n PRO 928 N 5.16 1.62 -1.79 4.92 -0.04 -1.26 -4.89 135.00 138.73 3i3d n PRO 928 Ca -0.12 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 61.99 3i3d n PRO 928 Cb 0.50 -2.04 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 3i3d n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i3d s TYR 929 N 2.18 2.81 0.25 0.54 1.51 -1.26 -4.86 117.35 118.52 3i3d s TYR 929 Ca 0.43 0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 57.16 3i3d s TYR 929 Cb 0.18 -4.06 0.48 0.00 -0.11 0.00 0.00 41.96 38.45 3i3d s TYR 929 CO -0.01 -3.69 1.76 0.28 -1.11 0.00 0.00 175.55 172.78 3i3d h VAL 930 N 3.52 0.74 -3.42 0.71 2.07 -1.96 -3.28 116.25 114.62 3i3d h VAL 930 Ca -0.46 -0.20 -0.70 0.00 0.82 0.00 0.00 66.70 66.16 3i3d h VAL 930 Cb 1.22 0.10 -0.19 0.00 -1.52 0.00 0.00 31.29 30.89 3i3d h VAL 930 CO 0.83 0.11 -0.15 0.12 0.02 0.00 0.00 177.57 178.50 3i3d s PHE 931 N -6.00 3.15 0.34 1.57 5.36 -1.26 -1.20 117.98 119.94 3i3d s PHE 931 Ca -0.12 -0.51 -0.28 0.00 -0.96 0.00 0.00 56.93 55.06 3i3d s PHE 931 Cb 0.21 -3.13 -0.12 0.00 -0.34 0.00 0.00 43.02 39.64 3i3d s PHE 931 CO 0.77 -0.81 1.29 -2.30 -1.46 0.00 0.00 175.22 172.71 3i3d n PRO 932 N 5.71 2.13 -3.88 10.12 -0.02 -1.24 -4.97 135.00 142.85 3i3d n PRO 932 Ca -0.08 0.75 -0.05 0.00 -2.02 0.00 0.00 63.50 62.10 3i3d n PRO 932 Cb 0.46 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3i3d n PRO 932 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i3d s SER 933 N -0.30 0.02 0.23 2.55 1.04 -1.26 -4.75 113.70 111.23 3i3d s SER 933 Ca 0.55 -0.83 -0.32 0.00 0.48 0.00 0.00 55.95 55.84 3i3d s SER 933 Cb -0.57 0.60 -0.13 0.00 0.10 0.00 0.00 66.02 66.01 3i3d s SER 933 CO 0.62 -1.19 1.46 1.21 0.98 0.00 0.00 173.24 176.32 3i3d n GLU 934 N -0.68 2.12 -3.87 4.02 4.07 -0.37 -4.93 120.64 121.00 3i3d n GLU 934 Ca -0.04 0.76 -0.07 0.00 -0.06 0.00 0.00 57.16 57.75 3i3d n GLU 934 Cb 0.59 -2.45 -0.02 0.00 -0.06 0.00 0.00 31.44 29.51 3i3d n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3i3d s ASN 935 N 0.41 -0.23 -0.34 4.31 2.20 -1.26 -4.92 114.94 115.12 3i3d s ASN 935 Ca 0.69 -0.66 0.00 0.00 -0.94 0.00 0.00 52.86 51.96 3i3d s ASN 935 Cb -0.64 0.72 0.00 0.00 -2.00 0.00 0.00 41.25 39.33 3i3d s ASN 935 CO 0.48 -1.34 0.00 0.61 -2.94 0.00 0.00 177.10 173.90 3i3d n GLY 936 N -0.46 0.54 3.76 0.45 0.00 -1.26 -4.82 105.19 103.40 3i3d n GLY 936 Ca -0.04 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3i3d n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i3d s LEU 937 N -0.72 3.79 -0.08 0.99 2.96 -1.26 -4.48 118.68 119.88 3i3d s LEU 937 Ca 0.00 2.36 -0.00 0.00 -0.22 0.00 0.00 54.13 56.27 3i3d s LEU 937 Cb 0.00 -4.47 0.02 0.00 0.50 0.00 0.00 46.19 42.24 3i3d s LEU 937 CO 0.00 -1.33 -0.04 -0.13 -1.32 0.00 0.00 176.35 173.53 3i3d s ARG 938 N -3.11 0.99 0.62 1.98 3.00 0.60 -0.60 118.95 122.43 3i3d s ARG 938 Ca 0.72 -0.08 0.04 0.00 0.00 0.00 0.00 55.73 56.41 3i3d s ARG 938 Cb -0.29 -1.14 0.09 0.00 0.00 0.00 0.00 34.95 33.60 3i3d s ARG 938 CO 0.34 -0.21 0.85 0.00 0.00 0.00 0.00 175.30 176.28 3i3d n GLY 940 N -2.48 -0.49 3.75 0.00 0.00 -1.20 -2.01 105.19 102.77 3i3d n GLY 940 Ca 0.13 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 3i3d n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3d s THR 941 N -3.20 5.13 -0.12 2.61 2.01 -0.13 -3.88 115.64 118.06 3i3d s THR 941 Ca 0.60 0.94 0.15 0.00 0.31 0.00 0.00 61.69 63.69 3i3d s THR 941 Cb -0.31 -3.80 -0.22 0.00 0.01 0.00 0.00 72.50 68.18 3i3d s THR 941 CO 0.74 0.40 0.37 0.54 -0.69 0.00 0.00 174.62 175.98 3i3d n ARG 942 N 3.16 0.72 -3.69 4.92 5.12 -0.00 -1.20 116.66 125.69 3i3d n ARG 942 Ca -0.09 -0.11 -0.10 0.00 -1.93 0.00 0.00 57.85 55.61 3i3d n ARG 942 Cb 0.52 -1.33 -0.10 0.00 -1.16 0.00 0.00 32.46 30.39 3i3d n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3i3d s GLU 943 N -2.93 0.45 -0.07 5.56 2.12 -1.19 -1.49 118.70 121.16 3i3d s GLU 943 Ca -0.04 0.84 0.03 0.00 0.36 0.00 0.00 54.97 56.16 3i3d s GLU 943 Cb 0.10 0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.52 3i3d s GLU 943 CO 0.61 -0.15 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.87 3i3d s LEU 944 N 1.32 1.73 -0.10 2.70 2.96 0.14 -0.75 118.68 126.69 3i3d s LEU 944 Ca -0.09 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3i3d s LEU 944 Cb -0.07 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.71 3i3d s LEU 944 CO -0.13 0.06 -0.20 0.20 -1.32 0.00 0.00 176.35 174.97 3i3d s ASN 945 N 0.55 2.71 -0.18 3.68 0.01 0.20 -1.21 114.94 120.70 3i3d s ASN 945 Ca -0.14 -0.49 -0.05 0.00 -0.71 0.00 0.00 52.86 51.48 3i3d s ASN 945 Cb -0.16 -1.24 0.09 0.00 0.41 0.00 0.00 41.25 40.36 3i3d s ASN 945 CO 0.04 0.11 0.32 -0.47 -1.51 0.00 0.00 177.10 175.59 3i3d s TYR 946 N 0.53 -0.59 0.00 2.20 5.04 -0.96 -2.01 117.35 121.56 3i3d s TYR 946 Ca -0.16 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 3i3d s TYR 946 Cb -0.17 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.16 3i3d s TYR 946 CO 0.06 -0.51 0.00 0.41 -1.34 0.00 0.00 175.55 174.17 3i3d n GLY 947 N 5.36 3.40 0.29 8.97 0.00 -1.26 -1.25 105.19 120.70 3i3d n GLY 947 Ca -0.06 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3i3d n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i3d n PRO 948 N 14.00 1.32 -3.30 1.61 -0.04 -1.26 -4.91 135.00 142.41 3i3d n PRO 948 Ca 0.00 -0.59 -0.31 0.00 -0.04 0.00 0.00 63.50 62.56 3i3d n PRO 948 Cb 0.00 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 3i3d n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3i3d s HIS 949 N -2.09 3.43 -0.10 0.54 3.76 -0.38 -1.74 115.29 118.71 3i3d s HIS 949 Ca 0.39 0.89 -0.05 0.00 -0.15 0.00 0.00 55.06 56.14 3i3d s HIS 949 Cb 0.21 -2.28 0.05 0.00 1.11 0.00 0.00 32.58 31.67 3i3d s HIS 949 CO 0.37 0.19 0.22 -1.14 -0.85 0.00 0.00 174.74 173.53 3i3d s GLN 950 N -3.09 0.15 -0.10 1.40 0.74 0.06 -2.26 119.66 116.56 3i3d s GLN 950 Ca 0.48 0.57 0.02 0.00 0.05 0.00 0.00 55.36 56.48 3i3d s GLN 950 Cb -0.11 -0.13 -0.02 0.00 1.10 0.00 0.00 33.01 33.86 3i3d s GLN 950 CO 0.23 -0.21 -0.14 -1.58 -0.55 0.00 0.00 175.29 173.04 3i3d s TRP 951 N 1.69 2.75 0.06 1.67 0.51 -0.35 -1.51 118.94 123.77 3i3d s TRP 951 Ca -0.05 -0.48 0.07 0.00 -2.12 0.00 0.00 56.10 53.52 3i3d s TRP 951 Cb -0.11 -1.75 -0.03 0.00 -0.81 0.00 0.00 33.47 30.77 3i3d s TRP 951 CO -0.08 -0.08 -0.19 1.03 -0.51 0.00 0.00 176.95 177.13 3i3d s ARG 952 N -0.06 1.19 0.00 4.98 0.52 -0.48 -0.68 118.95 124.43 3i3d s ARG 952 Ca -0.03 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 3i3d s ARG 952 Cb -0.14 -1.32 0.00 0.00 0.52 0.00 0.00 34.95 34.01 3i3d s ARG 952 CO 0.04 0.33 0.00 0.41 0.02 0.00 0.00 175.30 176.09 3i3d n GLY 953 N 1.63 -0.39 2.74 -3.53 0.00 -0.55 -1.47 105.19 103.62 3i3d n GLY 953 Ca -0.18 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 3i3d n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i3d s ASP 954 N -4.00 0.66 0.35 1.61 2.15 -1.23 -4.04 116.67 112.16 3i3d s ASP 954 Ca 0.00 -1.77 0.07 0.00 0.43 0.00 0.00 52.55 51.28 3i3d s ASP 954 Cb 0.00 0.69 -0.03 0.00 -0.30 0.00 0.00 42.92 43.29 3i3d s ASP 954 CO 0.00 -0.21 0.27 0.72 -0.17 0.00 0.00 175.17 175.78 3i3d s PHE 955 N 1.18 1.80 0.12 -5.34 -0.12 -0.34 -4.89 117.98 110.38 3i3d s PHE 955 Ca 0.21 -1.64 0.10 0.00 -0.05 0.00 0.00 56.93 55.54 3i3d s PHE 955 Cb -0.10 -0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 41.47 3i3d s PHE 955 CO -0.05 -0.82 -0.21 -0.65 -0.05 0.00 0.00 175.22 173.43 3i3d s GLN 956 N -3.43 1.65 0.12 1.99 -1.52 -0.49 -0.95 119.66 117.02 3i3d s GLN 956 Ca 0.39 -1.24 -0.20 0.00 -1.95 0.00 0.00 55.36 52.35 3i3d s GLN 956 Cb 0.02 -2.04 0.05 0.00 -0.22 0.00 0.00 33.01 30.82 3i3d s GLN 956 CO 0.27 0.47 0.51 -0.59 -0.25 0.00 0.00 175.29 175.70 3i3d s PHE 957 N -1.13 -0.39 0.01 0.91 -0.12 -0.58 -0.04 117.98 116.64 3i3d s PHE 957 Ca 0.17 0.21 -0.03 0.00 -0.05 0.00 0.00 56.93 57.23 3i3d s PHE 957 Cb -0.10 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.67 3i3d s PHE 957 CO 0.09 -0.74 0.05 0.54 -0.05 0.00 0.00 175.22 175.11 3i3d s ASN 958 N -2.55 0.11 -0.11 1.98 2.20 -0.90 -0.29 114.94 115.37 3i3d s ASN 958 Ca -0.00 -0.30 -0.05 0.00 -0.94 0.00 0.00 52.86 51.57 3i3d s ASN 958 Cb 0.00 0.15 0.05 0.00 -2.00 0.00 0.00 41.25 39.45 3i3d s ASN 958 CO -0.10 -0.29 0.25 -0.51 -2.94 0.00 0.00 177.10 173.51 3i3d s ILE 959 N -1.23 -0.10 0.29 0.54 2.07 -1.26 -1.95 121.20 119.56 3i3d s ILE 959 Ca -0.13 0.17 -0.15 0.00 -1.41 0.00 0.00 60.65 59.13 3i3d s ILE 959 Cb -0.08 -0.39 0.06 0.00 0.13 0.00 0.00 42.46 42.18 3i3d s ILE 959 CO 0.00 0.07 0.75 -1.54 -1.91 0.00 0.00 174.94 172.32 3i3d n SER 960 N 4.43 -1.87 -0.62 4.50 3.41 -0.88 -4.59 113.62 118.00 3i3d n SER 960 Ca -0.22 -2.22 0.09 0.00 -0.26 0.00 0.00 58.87 56.26 3i3d n SER 960 Cb 0.52 3.10 0.28 0.00 -0.26 0.00 0.00 64.21 67.85 3i3d n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i3d n ARG 961 N -0.52 1.80 -5.18 4.33 5.12 -1.26 0.17 116.66 121.12 3i3d n ARG 961 Ca -0.06 -1.22 -0.32 0.00 -1.93 0.00 0.00 57.85 54.32 3i3d n ARG 961 Cb 0.52 -1.35 -0.16 0.00 -1.16 0.00 0.00 32.46 30.30 3i3d n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i3d s TYR 962 N -1.66 2.55 0.47 -1.55 4.12 -1.26 -0.36 117.35 119.66 3i3d s TYR 962 Ca 0.29 -0.89 -0.12 0.00 0.02 0.00 0.00 57.07 56.37 3i3d s TYR 962 Cb 0.16 -1.69 -0.06 0.00 -1.52 0.00 0.00 41.96 38.84 3i3d s TYR 962 CO 0.22 -0.32 0.86 -1.54 0.02 0.00 0.00 175.55 174.79 3i3d s SER 963 N 0.17 6.49 0.29 2.29 1.04 -1.26 -4.77 113.70 117.94 3i3d s SER 963 Ca -0.13 1.27 0.02 0.00 0.48 0.00 0.00 55.95 57.59 3i3d s SER 963 Cb -0.16 -2.38 0.57 0.00 0.10 0.00 0.00 66.02 64.14 3i3d s SER 963 CO 0.07 -0.53 1.86 1.56 0.98 0.00 0.00 173.24 177.18 3i3d h GLN 964 N 0.87 0.95 -0.01 4.02 1.08 -1.99 -1.19 115.11 118.84 3i3d h GLN 964 Ca -0.47 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 56.68 3i3d h GLN 964 Cb 1.19 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 3i3d h GLN 964 CO 0.63 0.63 0.01 0.37 -0.95 0.00 0.00 178.83 179.52 3i3d h GLN 965 N 0.98 0.02 -0.39 1.46 4.15 -1.98 0.35 115.11 119.70 3i3d h GLN 965 Ca 0.47 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.88 3i3d h GLN 965 Cb 0.45 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 3i3d h GLN 965 CO -0.23 0.06 0.22 0.37 -1.93 0.00 0.00 178.83 177.31 3i3d h GLN 966 N -0.02 0.54 -0.97 1.69 4.15 -1.77 -0.30 115.11 118.42 3i3d h GLN 966 Ca 0.01 -0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.48 3i3d h GLN 966 Cb 0.04 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.55 3i3d h GLN 966 CO -0.00 0.43 0.62 -0.07 -1.93 0.00 0.00 178.83 177.88 3i3d h LEU 967 N 0.50 0.88 -0.80 -2.39 3.38 -1.04 -0.51 115.31 115.32 3i3d h LEU 967 Ca 0.14 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3i3d h LEU 967 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3i3d h LEU 967 CO -0.02 0.48 -0.48 -0.03 0.09 0.00 0.00 178.44 178.48 3i3d h MET 968 N 0.95 0.00 0.00 1.13 4.05 -0.08 -3.29 114.93 117.70 3i3d h MET 968 Ca 0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.89 3i3d h MET 968 Cb 0.48 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 3i3d h MET 968 CO -0.23 0.48 -1.38 0.39 0.23 0.00 0.00 176.91 176.40 3i3d n GLU 969 N -3.60 0.59 -3.43 0.39 1.02 -0.20 -4.93 120.64 110.48 3i3d n GLU 969 Ca -0.00 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.74 3i3d n GLU 969 Cb 0.57 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 3i3d n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3d s THR 970 N -3.40 4.98 -0.13 2.62 2.01 -0.32 -5.00 115.64 116.40 3i3d s THR 970 Ca -0.03 0.94 0.19 0.00 0.31 0.00 0.00 61.69 63.10 3i3d s THR 970 Cb 0.12 -3.77 -0.18 0.00 0.01 0.00 0.00 72.50 68.68 3i3d s THR 970 CO 0.84 0.54 0.66 -1.54 -0.69 0.00 0.00 174.62 174.43 3i3d n SER 971 N 2.03 0.53 -4.08 3.53 3.41 -1.26 -4.38 113.62 113.40 3i3d n SER 971 Ca -0.12 0.23 -0.21 0.00 -0.26 0.00 0.00 58.87 58.50 3i3d n SER 971 Cb 0.52 0.75 -0.15 0.00 -0.26 0.00 0.00 64.21 65.07 3i3d n SER 971 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3i3d s HIS 972 N -3.06 1.10 0.42 7.33 3.76 -1.26 -4.37 115.29 119.21 3i3d s HIS 972 Ca -0.05 -0.21 0.10 0.00 -0.15 0.00 0.00 55.06 54.75 3i3d s HIS 972 Cb 0.10 -0.70 0.93 0.00 1.11 0.00 0.00 32.58 34.02 3i3d s HIS 972 CO 0.83 -0.02 2.03 0.07 -0.85 0.00 0.00 174.74 176.81 3i3d h ARG 973 N 5.80 0.47 0.00 1.40 0.11 -1.36 -1.81 114.38 118.98 3i3d h ARG 973 Ca -0.33 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.72 3i3d h ARG 973 Cb 1.17 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3i3d h ARG 973 CO 0.49 0.31 0.00 1.12 0.10 0.00 0.00 179.97 181.99 3i3d h HIS 974 N 0.48 0.00 -0.01 4.08 2.07 -1.93 -2.21 115.15 117.64 3i3d h HIS 974 Ca 0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.71 3i3d h HIS 974 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 3i3d h HIS 974 CO -0.00 0.00 -0.11 1.28 -3.07 0.00 0.00 177.93 176.03 3i3d n LEU 975 N -2.82 0.76 -4.78 6.12 4.77 -0.68 -4.89 117.00 115.48 3i3d n LEU 975 Ca 0.00 -0.16 -0.36 0.00 -0.03 0.00 0.00 56.01 55.46 3i3d n LEU 975 Cb 0.22 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3i3d n LEU 975 CO 0.23 0.14 0.75 -0.76 -1.33 0.00 0.00 177.39 176.41 3i3d s LEU 976 N -2.34 4.06 -0.04 2.23 1.43 -0.83 -5.05 118.68 118.14 3i3d s LEU 976 Ca 0.31 2.08 0.01 0.00 -1.03 0.00 0.00 54.13 55.50 3i3d s LEU 976 Cb 0.20 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 42.18 3i3d s LEU 976 CO 0.45 -0.63 -0.05 -1.38 0.23 0.00 0.00 176.35 174.97 3i3d s HIS 977 N -1.69 0.77 0.23 0.29 -3.43 -1.26 -5.10 115.29 105.10 3i3d s HIS 977 Ca 0.61 -0.21 -0.32 0.00 -0.80 0.00 0.00 55.06 54.34 3i3d s HIS 977 Cb -0.22 -0.65 -0.13 0.00 -1.43 0.00 0.00 32.58 30.15 3i3d s HIS 977 CO 0.28 -0.17 1.50 0.00 -2.00 0.00 0.00 174.74 174.34 3i3d n ALA 978 N 3.87 1.54 -2.05 -1.38 0.00 -1.26 -4.85 120.51 116.38 3i3d n ALA 978 Ca -0.24 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 3i3d n ALA 978 Cb 0.52 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.66 3i3d n ALA 978 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3d s GLU 979 N -0.08 2.64 0.23 0.00 2.02 0.51 -5.04 118.70 118.98 3i3d s GLU 979 Ca 0.70 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 3i3d s GLU 979 Cb -0.62 -2.47 -0.10 0.00 0.10 0.00 0.00 34.13 31.04 3i3d s GLU 979 CO 0.46 -0.66 1.38 -2.00 0.02 0.00 0.00 175.26 174.46 3i3d s GLU 980 N -4.76 4.33 2.64 1.61 2.12 -1.26 -4.76 118.70 118.61 3i3d s GLU 980 Ca 0.55 2.19 0.00 0.00 0.36 0.00 0.00 54.97 58.07 3i3d s GLU 980 Cb -0.10 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3i3d s GLU 980 CO 0.39 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 3i3d n GLY 981 N 2.18 -0.51 2.96 -1.50 0.00 -1.26 -4.83 105.19 102.23 3i3d n GLY 981 Ca 0.06 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 3i3d n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3d s THR 982 N 0.00 0.96 -0.25 2.61 2.01 0.80 -4.71 115.64 117.07 3i3d s THR 982 Ca 0.00 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 3i3d s THR 982 Cb 0.00 -0.93 -0.00 0.00 0.01 0.00 0.00 72.50 71.58 3i3d s THR 982 CO 0.00 0.33 0.83 0.26 -0.69 0.00 0.00 174.62 175.35 3i3d s TRP 983 N 0.99 3.29 -0.15 4.92 0.52 0.13 0.40 118.94 129.04 3i3d s TRP 983 Ca -0.09 1.10 -0.03 0.00 0.02 0.00 0.00 56.10 57.10 3i3d s TRP 983 Cb -0.15 -3.09 -0.02 0.00 -1.15 0.00 0.00 33.47 29.06 3i3d s TRP 983 CO -0.00 -0.43 -0.05 -1.17 0.02 0.00 0.00 176.95 175.31 3i3d s LEU 984 N 2.89 3.14 -0.25 2.99 2.96 -0.20 -2.07 118.68 128.13 3i3d s LEU 984 Ca 0.35 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3i3d s LEU 984 Cb -0.15 -1.75 0.06 0.00 0.50 0.00 0.00 46.19 44.85 3i3d s LEU 984 CO 0.08 0.16 -0.10 0.20 -1.32 0.00 0.00 176.35 175.38 3i3d s ASN 985 N 0.38 4.29 -0.26 3.68 0.01 -0.82 -1.83 114.94 120.39 3i3d s ASN 985 Ca -0.05 -1.34 -0.04 0.00 -0.71 0.00 0.00 52.86 50.72 3i3d s ASN 985 Cb -0.15 -1.46 0.01 0.00 0.41 0.00 0.00 41.25 40.06 3i3d s ASN 985 CO 0.03 -0.20 0.00 -0.63 -1.51 0.00 0.00 177.10 174.80 3i3d s ILE 986 N 1.17 3.49 -0.04 0.60 1.01 0.08 -2.12 121.20 125.39 3i3d s ILE 986 Ca -0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 3i3d s ILE 986 Cb -0.20 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3i3d s ILE 986 CO -0.05 0.22 0.05 -1.81 0.00 0.00 0.00 174.94 173.35 3i3d s ASP 987 N 1.45 5.54 0.00 3.58 1.01 0.94 -0.10 116.67 129.09 3i3d s ASP 987 Ca 0.03 0.15 -0.02 0.00 0.71 0.00 0.00 52.55 53.42 3i3d s ASP 987 Cb -0.16 -1.59 -0.27 0.00 1.01 0.00 0.00 42.92 41.91 3i3d s ASP 987 CO -0.01 0.32 0.85 1.23 0.21 0.00 0.00 175.17 177.76 3i3d h GLY 988 N 4.51 0.26 -4.79 0.21 0.00 -0.55 -1.30 103.07 101.41 3i3d h GLY 988 Ca -0.50 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.01 3i3d h GLY 988 CO 0.59 0.59 -0.52 -1.36 0.00 0.00 0.00 176.54 175.84 3i3d s PHE 989 N -2.62 0.07 -0.06 5.60 0.40 -0.87 -4.71 117.98 115.79 3i3d s PHE 989 Ca -0.09 -0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.01 3i3d s PHE 989 Cb 0.07 -0.07 0.03 0.00 0.51 0.00 0.00 43.02 43.56 3i3d s PHE 989 CO 0.85 -0.27 0.15 -1.58 0.70 0.00 0.00 175.22 175.07 3i3d s HIS 990 N -1.39 -0.17 0.71 0.36 2.46 -1.26 -0.88 115.29 115.11 3i3d s HIS 990 Ca -0.15 0.45 -0.14 0.00 0.47 0.00 0.00 55.06 55.69 3i3d s HIS 990 Cb -0.08 0.00 0.03 0.00 -0.13 0.00 0.00 32.58 32.40 3i3d s HIS 990 CO 0.01 -0.12 1.13 1.41 -2.47 0.00 0.00 174.74 174.70 3i3d s MET 991 N 0.57 2.46 0.79 2.88 1.75 0.36 -4.75 119.30 123.35 3i3d s MET 991 Ca -0.04 1.45 -0.11 0.00 -1.25 0.00 0.00 55.69 55.75 3i3d s MET 991 Cb -0.06 -1.90 0.06 0.00 2.84 0.00 0.00 34.83 35.78 3i3d s MET 991 CO -0.03 -1.53 1.09 0.20 -0.65 0.00 0.00 175.02 174.10 3i3d s GLY 992 N -2.58 1.66 0.09 2.11 0.00 -0.79 -4.72 107.32 103.09 3i3d s GLY 992 Ca 0.68 0.16 0.20 0.00 0.00 0.00 0.00 44.72 45.76 3i3d s GLY 992 CO 0.45 0.53 0.80 0.29 0.00 0.00 0.00 173.10 175.17 3i3d n ILE 993 N -3.53 0.70 -4.55 0.90 -5.35 -1.26 -4.92 119.36 101.35 3i3d n ILE 993 Ca 0.08 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3i3d n ILE 993 Cb 0.54 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 3i3d n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i3d n GLY 994 N 1.29 -0.45 0.00 3.28 0.00 -1.26 -4.76 105.19 103.30 3i3d n GLY 994 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3i3d n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 995 N 0.00 -0.83 0.43 -0.02 0.00 -1.26 -0.79 105.19 102.73 3i3d n GLY 995 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.27 3i3d n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i3d h ASP 996 N 0.00 0.05 -5.06 1.61 3.32 -1.79 -1.85 116.42 112.70 3i3d h ASP 996 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.14 3i3d h ASP 996 Cb 0.00 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3i3d h ASP 996 CO 0.00 0.02 0.28 1.51 -1.72 0.00 0.00 179.24 179.33 3i3d s ASP 997 N -5.81 -0.22 -0.17 6.45 1.47 -1.26 -4.06 116.67 113.07 3i3d s ASP 997 Ca -0.05 -0.63 0.15 0.00 1.18 0.00 0.00 52.55 53.19 3i3d s ASP 997 Cb 0.21 0.70 0.35 0.00 -0.34 0.00 0.00 42.92 43.84 3i3d s ASP 997 CO 0.76 -1.30 1.18 -1.20 0.68 0.00 0.00 175.17 175.29 3i3d n SER 998 N -0.57 1.96 0.00 2.11 7.64 -1.26 -4.66 113.62 118.84 3i3d n SER 998 Ca -0.05 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.36 3i3d n SER 998 Cb 0.59 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3i3d n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 3i3d n TRP 999 N -1.22 0.00 -3.58 1.43 2.14 -1.26 -4.00 117.44 110.95 3i3d n TRP 999 Ca 0.17 -0.27 -0.15 0.00 2.07 0.00 0.00 57.50 59.32 3i3d n TRP 999 Cb 0.68 -0.03 -0.06 0.00 -0.81 0.00 0.00 31.31 31.09 3i3d n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3i3d s SER 1000N -0.55 -0.48 0.01 -0.67 1.04 -1.26 -4.54 113.70 107.24 3i3d s SER 1000Ca 0.00 0.33 -0.36 0.00 0.48 0.00 0.00 55.95 56.40 3i3d s SER 1000Cb 0.00 0.49 -0.15 0.00 0.10 0.00 0.00 66.02 66.46 3i3d s SER 1000CO 0.00 -0.66 1.57 -2.65 0.98 0.00 0.00 173.24 172.48 3i3d n PRO 1001N 0.65 1.58 0.00 4.02 -0.02 -1.26 -4.83 135.00 135.15 3i3d n PRO 1001Ca -0.19 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3i3d n PRO 1001Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3i3d n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i3d n SER 1002N 3.99 1.24 -4.65 2.55 3.41 -1.26 -5.02 113.62 113.87 3i3d n SER 1002Ca 0.20 -1.62 -0.42 0.00 -0.26 0.00 0.00 58.87 56.77 3i3d n SER 1002Cb 0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3i3d n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i3d s VAL 1003N -0.62 4.76 0.57 -3.33 1.01 -1.26 -4.21 120.40 117.31 3i3d s VAL 1003Ca 0.00 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 63.59 3i3d s VAL 1003Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3i3d s VAL 1003CO 0.00 -0.12 1.32 -0.55 0.00 0.00 0.00 175.10 175.75 3i3d s SER 1004N 1.26 5.18 0.31 3.32 0.15 -1.26 -4.84 113.70 117.81 3i3d s SER 1004Ca 0.40 2.68 0.06 0.00 0.70 0.00 0.00 55.95 59.79 3i3d s SER 1004Cb -0.15 -2.63 0.73 0.00 -1.71 0.00 0.00 66.02 62.26 3i3d s SER 1004CO 0.07 -1.63 1.80 0.00 1.20 0.00 0.00 173.24 174.68 3i3d h ALA 1005N 1.26 1.69 0.00 5.45 0.00 -1.95 0.63 119.26 126.34 3i3d h ALA 1005Ca -0.51 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i3d h ALA 1005Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i3d h ALA 1005CO 0.56 -0.02 0.00 -0.85 0.00 0.00 0.00 179.25 178.94 3i3d n GLU 1006N -4.70 0.05 -0.08 0.00 0.00 -1.26 -2.13 120.64 112.52 3i3d n GLU 1006Ca 0.22 0.27 0.05 0.00 0.00 0.00 0.00 57.16 57.69 3i3d n GLU 1006Cb 0.53 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.56 3i3d n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3i3d n PHE 1007N -1.43 0.21 -3.55 -1.84 3.01 0.20 -4.98 117.46 109.09 3i3d n PHE 1007Ca 0.04 -0.27 -0.37 0.00 1.01 0.00 0.00 57.45 57.85 3i3d n PHE 1007Cb 0.12 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 3i3d n PHE 1007CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3i3d s GLN 1008N -0.90 3.85 -1.30 -1.08 -0.21 -0.91 -1.89 119.66 117.23 3i3d s GLN 1008Ca 0.15 0.32 -0.17 0.00 0.02 0.00 0.00 55.36 55.68 3i3d s GLN 1008Cb 0.09 -3.17 0.08 0.00 1.00 0.00 0.00 33.01 31.01 3i3d s GLN 1008CO 0.12 0.67 1.74 1.28 -2.12 0.00 0.00 175.29 176.98 3i3d n LEU 1009N 1.62 5.13 -0.48 2.90 4.77 -1.26 -4.68 117.00 125.00 3i3d n LEU 1009Ca -0.13 -4.01 0.04 0.00 -0.03 0.00 0.00 56.01 51.88 3i3d n LEU 1009Cb 0.53 -1.73 0.11 0.00 -2.33 0.00 0.00 43.42 40.00 3i3d n LEU 1009CO 0.38 0.30 0.59 -1.54 -1.33 0.00 0.00 177.39 175.79 3i3d n SER 1010N 7.86 2.67 0.31 -1.43 3.41 -1.26 -4.31 113.62 120.88 3i3d n SER 1010Ca 0.48 -1.98 0.19 0.00 -0.26 0.00 0.00 58.87 57.30 3i3d n SER 1010Cb 0.45 -0.17 1.03 0.00 -0.26 0.00 0.00 64.21 65.26 3i3d n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3d h ALA 1011N 1.55 1.14 0.00 7.33 0.00 -1.98 -3.46 119.26 123.83 3i3d h ALA 1011Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i3d h ALA 1011Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i3d h ALA 1011CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3i3d n GLY 1012N -0.93 1.93 3.04 0.00 0.00 -1.26 -4.91 105.19 103.05 3i3d n GLY 1012Ca -0.02 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 3i3d n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3d s ARG 1013N 0.00 1.49 0.05 1.61 0.52 -1.26 -0.40 118.95 120.95 3i3d s ARG 1013Ca 0.00 -0.42 0.05 0.00 -0.52 0.00 0.00 55.73 54.84 3i3d s ARG 1013Cb 0.00 -1.28 -0.02 0.00 0.52 0.00 0.00 34.95 34.16 3i3d s ARG 1013CO 0.00 0.10 -0.14 0.71 0.02 0.00 0.00 175.30 175.99 3i3d s TYR 1014N 0.40 1.18 -0.01 -0.53 1.51 -0.12 -4.98 117.35 114.79 3i3d s TYR 1014Ca -0.09 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 3i3d s TYR 1014Cb -0.13 -0.69 0.01 0.00 -0.11 0.00 0.00 41.96 41.04 3i3d s TYR 1014CO 0.02 0.03 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.90 3i3d s HIS 1015N -0.97 0.32 -0.03 2.71 5.65 -1.26 -0.54 115.29 121.18 3i3d s HIS 1015Ca 0.00 -0.04 -0.25 0.00 0.25 0.00 0.00 55.06 55.02 3i3d s HIS 1015Cb -0.08 -0.28 0.05 0.00 -1.18 0.00 0.00 32.58 31.09 3i3d s HIS 1015CO 0.01 -0.05 0.54 1.52 -0.65 0.00 0.00 174.74 176.11 3i3d s TYR 1016N 0.33 -0.48 0.06 3.88 -0.85 -0.67 -5.03 117.35 114.60 3i3d s TYR 1016Ca -0.03 0.77 0.05 0.00 -0.52 0.00 0.00 57.07 57.34 3i3d s TYR 1016Cb -0.06 0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 3i3d s TYR 1016CO -0.01 -0.54 -0.14 -0.65 -1.52 0.00 0.00 175.55 172.69 3i3d s GLN 1017N -1.38 0.84 0.01 -3.49 -0.21 -1.26 -0.88 119.66 113.28 3i3d s GLN 1017Ca -0.11 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.36 3i3d s GLN 1017Cb -0.02 -0.84 -0.01 0.00 1.00 0.00 0.00 33.01 33.14 3i3d s GLN 1017CO 0.07 0.19 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.90 3i3d s LEU 1018N -1.61 2.15 -0.17 2.90 1.43 0.62 -4.39 118.68 119.61 3i3d s LEU 1018Ca -0.01 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3i3d s LEU 1018Cb -0.10 0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.18 3i3d s LEU 1018CO 0.02 -0.18 -0.19 -0.69 0.23 0.00 0.00 176.35 175.54 3i3d s VAL 1019N -0.89 2.19 -0.14 -1.59 1.01 -0.54 0.13 120.40 120.57 3i3d s VAL 1019Ca -0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3i3d s VAL 1019Cb -0.06 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 3i3d s VAL 1019CO -0.01 0.53 -0.09 0.86 0.00 0.00 0.00 175.10 176.40 3i3d s TRP 1020N 1.13 2.91 0.39 5.22 -0.11 0.82 -1.38 118.94 127.93 3i3d s TRP 1020Ca 0.01 -0.48 -0.12 0.00 1.22 0.00 0.00 56.10 56.73 3i3d s TRP 1020Cb -0.14 -1.90 0.05 0.00 -1.50 0.00 0.00 33.47 29.98 3i3d s TRP 1020CO -0.08 -0.13 0.72 0.00 -4.62 0.00 0.00 176.95 172.84 3i3d s GLN 1022N -2.34 3.60 0.00 0.00 0.74 -1.26 -0.76 119.66 119.63 3i3d s GLN 1022Ca 0.20 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.12 3i3d s GLN 1022Cb -0.04 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.14 3i3d s GLN 1022CO 0.14 0.32 0.28 1.63 -0.55 0.00 0.00 175.29 177.12