#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 -1.02 0.24 5.56 1.74 -1.26 -4.76 116.66 117.16 3i3d n ARG 14 Ca 0.00 0.19 0.16 0.00 -0.77 0.00 0.00 57.85 57.42 3i3d n ARG 14 Cb 0.00 -3.34 0.84 0.00 -1.02 0.00 0.00 32.46 28.94 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 -2.19 0.00 -0.09 0.55 3.32 -1.95 -1.30 116.42 114.76 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 -2.60 0.12 -2.29 4.55 2.14 -1.26 -3.31 117.44 114.78 3i3d n TRP 16 Ca -0.02 -0.06 -0.04 0.00 2.07 0.00 0.00 57.50 59.45 3i3d n TRP 16 Cb 0.08 0.00 0.07 0.00 -0.81 0.00 0.00 31.31 30.65 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 -0.27 1.78 -3.44 -2.67 1.02 -0.49 -0.44 120.64 116.13 3i3d n GLU 17 Ca 0.10 -3.28 -0.19 0.00 -0.02 0.00 0.00 57.16 53.76 3i3d n GLU 17 Cb 0.14 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 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 -3.21 1.94 0.00 1.62 3.84 -1.21 -4.73 114.94 113.19 3i3d s ASN 18 Ca 0.37 -0.73 0.06 0.00 0.21 0.00 0.00 52.86 52.77 3i3d s ASN 18 Cb 0.37 0.33 0.25 0.00 -0.55 0.00 0.00 41.25 41.66 3i3d s ASN 18 CO -0.06 -0.38 1.12 -0.81 -2.79 0.00 0.00 177.10 174.18 3i3d n PRO 19 N 5.30 0.03 0.19 0.43 -0.04 -1.26 -0.94 135.00 138.72 3i3d n PRO 19 Ca -0.04 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 3i3d n PRO 19 Cb 0.46 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.94 0.00 -7.73 0.55 0.00 -1.94 -3.38 103.07 91.51 3i3d h GLY 20 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3i3d h GLY 20 CO 0.00 0.00 -0.70 0.14 0.00 0.00 0.00 176.54 175.98 3i3d s VAL 21 N -3.14 2.74 -1.10 4.60 1.01 -0.11 -4.92 120.40 119.47 3i3d s VAL 21 Ca 0.06 -1.72 0.13 0.00 0.00 0.00 0.00 61.98 60.44 3i3d s VAL 21 Cb 0.06 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3i3d s VAL 21 CO 0.69 -0.27 0.71 0.35 0.00 0.00 0.00 175.10 176.58 3i3d n THR 22 N 4.51 0.00 -3.60 3.92 -2.24 -1.26 -4.77 114.28 110.83 3i3d n THR 22 Ca -0.09 -0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 61.32 3i3d n THR 22 Cb 0.42 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.67 0.40 -0.10 -0.78 1.03 -1.26 -0.70 119.66 116.58 3i3d s GLN 23 Ca 0.10 -0.18 -0.04 0.00 0.04 0.00 0.00 55.36 55.28 3i3d s GLN 23 Cb 0.10 0.16 0.05 0.00 0.03 0.00 0.00 33.01 33.36 3i3d s GLN 23 CO 0.34 -0.18 0.20 -0.51 -2.54 0.00 0.00 175.29 172.61 3i3d s LEU 24 N -2.48 -0.05 -1.93 2.60 1.43 -0.26 -4.87 118.68 113.12 3i3d s LEU 24 Ca 0.11 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3i3d s LEU 24 Cb 0.01 0.48 0.00 0.00 0.03 0.00 0.00 46.19 46.71 3i3d s LEU 24 CO -0.04 -0.23 0.00 0.59 0.23 0.00 0.00 176.35 176.90 3i3d n ASN 25 N 5.14 -5.75 -4.79 2.29 3.02 -1.26 -1.81 115.26 112.10 3i3d n ASN 25 Ca -0.09 0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 3i3d n ASN 25 Cb 0.50 -4.87 -0.06 0.00 -0.61 0.00 0.00 39.78 34.74 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 -4.57 4.48 0.55 3.52 3.52 -1.26 -4.65 118.95 120.53 3i3d s ARG 26 Ca 0.00 1.12 -0.12 0.00 -0.13 0.00 0.00 55.73 56.60 3i3d s ARG 26 Cb 0.00 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 30.35 3i3d s ARG 26 CO 0.00 0.42 0.96 -0.51 -0.81 0.00 0.00 175.30 175.36 3i3d s LEU 27 N -1.71 3.44 0.68 -0.88 1.43 0.53 -5.00 118.68 117.17 3i3d s LEU 27 Ca 0.43 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 54.73 3i3d s LEU 27 Cb -0.20 -4.36 -0.00 0.00 0.03 0.00 0.00 46.19 41.66 3i3d s LEU 27 CO 0.24 -0.71 1.18 0.00 0.23 0.00 0.00 176.35 177.29 3i3d n ALA 28 N -2.24 0.62 -1.79 4.21 0.00 -1.26 -4.63 120.51 115.42 3i3d n ALA 28 Ca 0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 3i3d n ALA 28 Cb 0.54 -2.25 0.01 0.00 0.00 0.00 0.00 19.45 17.75 3i3d n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3d s ALA 29 N -1.57 2.98 0.15 0.00 0.00 -1.26 -4.97 121.76 117.09 3i3d s ALA 29 Ca 0.79 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 3i3d s ALA 29 Cb -0.37 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 19.70 3i3d s ALA 29 CO 0.44 -0.74 0.98 -3.38 0.00 0.00 0.00 175.76 173.07 3i3d s HIS 30 N -3.01 -0.10 0.88 0.00 -3.43 -1.26 -4.88 115.29 103.48 3i3d s HIS 30 Ca 0.57 -0.21 -0.11 0.00 -0.80 0.00 0.00 55.06 54.51 3i3d s HIS 30 Cb -0.12 0.64 0.12 0.00 -1.43 0.00 0.00 32.58 31.79 3i3d s HIS 30 CO 0.49 -0.82 1.09 -2.14 -2.00 0.00 0.00 174.74 171.37 3i3d s PRO 31 N -3.13 1.42 -0.03 -0.38 0.02 -1.16 -4.26 135.00 127.49 3i3d s PRO 31 Ca 0.13 0.81 -0.36 0.00 0.02 0.00 0.00 61.00 61.59 3i3d s PRO 31 Cb -0.01 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.53 3i3d s PRO 31 CO 0.02 -2.13 1.60 -2.30 -0.33 0.00 0.00 177.00 173.87 3i3d n PRO 32 N -3.80 1.57 -4.26 5.54 -0.02 -1.26 -4.99 135.00 127.78 3i3d n PRO 32 Ca 0.07 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 61.85 3i3d n PRO 32 Cb 0.55 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.08 2.69 0.00 6.00 2.99 -1.26 -4.79 117.98 125.69 3i3d s PHE 33 Ca 0.88 -0.19 0.00 0.00 0.00 0.00 0.00 56.93 57.62 3i3d s PHE 33 Cb -0.87 -1.33 0.00 0.00 0.00 0.00 0.00 43.02 40.82 3i3d s PHE 33 CO 0.51 0.50 0.00 0.00 -0.00 0.00 0.00 175.22 176.23 3i3d n ALA 34 N 0.12 0.00 -3.74 5.36 0.00 -1.26 -5.03 120.51 115.96 3i3d n ALA 34 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 3i3d n ALA 34 Cb 0.55 0.00 0.04 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 -5.06 -4.77 0.00 2.88 -1.26 -4.08 113.62 101.34 3i3d n SER 35 Ca 0.00 -1.06 -0.37 0.00 -1.33 0.00 0.00 58.87 56.11 3i3d n SER 35 Cb 0.00 -3.14 -0.00 0.00 -0.75 0.00 0.00 64.21 60.31 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 -3.48 2.83 -0.60 0.66 0.51 -0.62 -4.55 118.94 113.69 3i3d s TRP 36 Ca 0.47 1.51 0.12 0.00 -2.12 0.00 0.00 56.10 56.08 3i3d s TRP 36 Cb -0.18 -3.44 0.36 0.00 -0.81 0.00 0.00 33.47 29.39 3i3d s TRP 36 CO 0.88 -1.66 1.29 0.54 -0.51 0.00 0.00 176.95 177.48 3i3d n ARG 37 N -0.44 2.85 -3.67 4.98 5.12 -1.26 -0.67 116.66 123.57 3i3d n ARG 37 Ca 0.07 -2.29 -0.19 0.00 -1.93 0.00 0.00 57.85 53.51 3i3d n ARG 37 Cb 0.47 -1.44 -0.18 0.00 -1.16 0.00 0.00 32.46 30.15 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 -1.36 1.08 0.30 0.55 3.84 -1.26 -4.96 114.94 113.13 3i3d s ASN 38 Ca 0.28 0.12 -0.01 0.00 0.21 0.00 0.00 52.86 53.45 3i3d s ASN 38 Cb 0.19 -0.07 0.44 0.00 -0.55 0.00 0.00 41.25 41.26 3i3d s ASN 38 CO 0.12 -0.25 1.92 0.28 -2.79 0.00 0.00 177.10 176.38 3i3d h SER 39 N 8.43 0.87 -0.19 -4.21 0.02 -1.97 -2.54 113.55 113.95 3i3d h SER 39 Ca -0.12 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 3i3d h SER 39 Cb 1.12 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 3i3d h SER 39 CO 0.15 0.71 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.29 3i3d h GLU 40 N 0.98 0.61 -0.71 3.45 4.57 -1.99 -0.01 114.58 121.49 3i3d h GLU 40 Ca 0.25 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3i3d h GLU 40 Cb 0.04 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3i3d h GLU 40 CO -0.04 0.76 0.26 0.93 -1.18 0.00 0.00 179.01 179.74 3i3d h GLU 41 N 0.55 1.08 -0.51 1.92 4.39 -1.85 -0.96 114.58 119.20 3i3d h GLU 41 Ca 0.09 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 3i3d h GLU 41 Cb 0.62 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3i3d h GLU 41 CO 0.04 0.91 -0.03 0.00 -1.16 0.00 0.00 179.01 178.77 3i3d h ALA 42 N 1.12 0.69 -0.44 3.43 0.00 -1.11 -0.47 119.26 122.49 3i3d h ALA 42 Ca 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i3d h ALA 42 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i3d h ALA 42 CO -0.01 0.53 0.23 -0.09 0.00 0.00 0.00 179.25 179.90 3i3d h ARG 43 N 0.78 0.62 -0.00 0.00 2.43 -0.65 -2.74 114.38 114.82 3i3d h ARG 43 Ca 0.14 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3i3d h ARG 43 Cb 0.56 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3i3d h ARG 43 CO 0.03 0.51 -0.07 0.25 -1.51 0.00 0.00 179.97 179.18 3i3d n THR 44 N -4.69 0.00 -3.07 0.20 -2.24 -0.40 -4.94 114.28 99.15 3i3d n THR 44 Ca 0.01 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 3i3d n THR 44 Cb 0.09 -0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.78 -5.80 -4.87 3.42 2.03 -0.26 -4.99 116.55 105.30 3i3d n ASP 45 Ca 0.17 -0.30 -0.30 0.00 0.52 0.00 0.00 54.79 54.88 3i3d n ASP 45 Cb 0.25 -4.69 -0.01 0.00 -0.72 0.00 0.00 41.12 35.95 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 -5.75 3.68 0.45 -0.67 0.52 -0.74 -4.99 118.95 111.44 3i3d s ARG 46 Ca 0.32 0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 55.94 3i3d s ARG 46 Cb -0.15 -2.20 -0.11 0.00 0.52 0.00 0.00 34.95 33.01 3i3d s ARG 46 CO 0.39 -0.35 0.67 -2.30 0.02 0.00 0.00 175.30 173.74 3i3d n PRO 47 N -2.20 0.76 -4.24 3.54 -0.02 -1.26 -4.81 135.00 126.78 3i3d n PRO 47 Ca 0.04 0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 3i3d n PRO 47 Cb 0.54 -1.69 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 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 -0.94 5.35 0.48 2.55 0.15 -1.26 -4.97 113.70 115.05 3i3d s SER 48 Ca 0.65 0.10 0.32 0.00 0.70 0.00 0.00 55.95 57.72 3i3d s SER 48 Cb -0.56 -1.72 1.52 0.00 -1.71 0.00 0.00 66.02 63.56 3i3d s SER 48 CO 0.57 0.28 1.97 1.56 1.20 0.00 0.00 173.24 178.82 3i3d h GLN 49 N 5.86 0.00 -0.01 5.44 1.08 -1.90 -2.21 115.11 123.37 3i3d h GLN 49 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 3i3d h GLN 49 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3i3d h GLN 49 CO 0.61 0.00 -0.13 1.04 -0.95 0.00 0.00 178.83 179.40 3i3d n GLN 50 N -2.76 1.31 -3.99 1.46 3.00 -1.26 -4.70 117.38 110.44 3i3d n GLN 50 Ca -0.00 -0.80 -0.31 0.00 -0.01 0.00 0.00 57.00 55.88 3i3d n GLN 50 Cb 0.18 -1.48 -0.15 0.00 0.00 0.00 0.00 30.24 28.79 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 -2.24 3.72 0.02 1.08 2.96 -0.83 -0.82 118.68 122.56 3i3d s LEU 51 Ca 0.31 -1.69 0.02 0.00 -0.22 0.00 0.00 54.13 52.55 3i3d s LEU 51 Cb 0.20 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 3i3d s LEU 51 CO 0.42 -0.30 0.02 -0.13 -1.32 0.00 0.00 176.35 175.04 3i3d s ARG 52 N 1.12 2.80 -0.08 1.98 0.52 0.14 -4.68 118.95 120.74 3i3d s ARG 52 Ca 0.02 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.48 3i3d s ARG 52 Cb -0.19 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 3i3d s ARG 52 CO -0.08 0.61 0.26 0.45 0.02 0.00 0.00 175.30 176.55 3i3d s SER 53 N -1.77 6.54 -0.12 0.23 0.15 -1.26 -0.23 113.70 117.25 3i3d s SER 53 Ca 0.22 0.65 0.15 0.00 0.70 0.00 0.00 55.95 57.67 3i3d s SER 53 Cb -0.12 -2.15 0.53 0.00 -1.71 0.00 0.00 66.02 62.57 3i3d s SER 53 CO 0.13 0.33 1.45 0.18 1.20 0.00 0.00 173.24 176.53 3i3d n LEU 54 N 2.16 3.94 -4.77 3.45 4.77 0.25 -4.91 117.00 121.89 3i3d n LEU 54 Ca -0.17 -2.59 -0.34 0.00 -0.03 0.00 0.00 56.01 52.88 3i3d n LEU 54 Cb 0.54 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3i3d n LEU 54 CO 0.35 0.72 0.77 0.20 -1.33 0.00 0.00 177.39 178.10 3i3d s ASN 55 N -1.36 5.38 0.00 -1.43 0.01 -1.24 -4.85 114.94 111.45 3i3d s ASN 55 Ca 0.40 2.13 0.00 0.00 -0.71 0.00 0.00 52.86 54.68 3i3d s ASN 55 Cb 0.28 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.37 3i3d s ASN 55 CO 0.15 -1.45 0.00 0.61 -1.51 0.00 0.00 177.10 174.90 3i3d n GLY 56 N -0.08 0.63 3.66 0.66 0.00 -0.38 -5.01 105.19 104.68 3i3d n GLY 56 Ca 0.11 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.83 4.25 0.45 1.61 2.02 -1.26 -1.04 118.70 122.91 3i3d s GLU 57 Ca 0.00 0.93 0.05 0.00 0.02 0.00 0.00 54.97 55.97 3i3d s GLU 57 Cb 0.00 -3.59 -0.05 0.00 0.10 0.00 0.00 34.13 30.58 3i3d s GLU 57 CO 0.00 -0.36 0.01 -1.58 0.02 0.00 0.00 175.26 173.35 3i3d s TRP 58 N 2.29 2.26 -0.11 1.61 0.52 0.25 -4.93 118.94 120.82 3i3d s TRP 58 Ca 0.36 -0.78 -0.04 0.00 0.02 0.00 0.00 56.10 55.65 3i3d s TRP 58 Cb -0.16 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 3i3d s TRP 58 CO 0.11 0.36 0.06 1.03 0.02 0.00 0.00 176.95 178.52 3i3d s ARG 59 N -3.78 3.29 0.01 4.98 1.81 -0.13 -0.82 118.95 124.30 3i3d s ARG 59 Ca 0.23 -0.30 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 3i3d s ARG 59 Cb 0.07 -2.99 -0.01 0.00 -0.45 0.00 0.00 34.95 31.57 3i3d s ARG 59 CO 0.12 0.66 -0.01 0.12 -0.68 0.00 0.00 175.30 175.51 3i3d s PHE 60 N -0.74 0.12 -0.05 -0.53 5.36 0.13 -1.40 117.98 120.85 3i3d s PHE 60 Ca 0.12 -0.15 -0.05 0.00 -0.96 0.00 0.00 56.93 55.90 3i3d s PHE 60 Cb -0.12 -0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.50 3i3d s PHE 60 CO 0.03 -0.05 0.14 0.00 -1.46 0.00 0.00 175.22 173.88 3i3d s ALA 61 N -0.40 -0.34 -0.10 11.12 0.00 -0.91 0.02 121.76 131.16 3i3d s ALA 61 Ca -0.04 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 3i3d s ALA 61 Cb -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3i3d s ALA 61 CO -0.00 -0.08 0.09 -0.46 0.00 0.00 0.00 175.76 175.31 3i3d s TRP 62 N 0.20 3.43 0.03 0.00 -0.00 -1.26 -1.09 118.94 120.24 3i3d s TRP 62 Ca -0.01 0.39 0.02 0.00 -0.00 0.00 0.00 56.10 56.50 3i3d s TRP 62 Cb -0.02 -1.87 -0.02 0.00 -0.00 0.00 0.00 33.47 31.56 3i3d s TRP 62 CO -0.01 0.63 -0.07 -0.06 -0.00 0.00 0.00 176.95 177.45 3i3d s PHE 63 N -1.00 0.60 -0.19 5.86 0.40 -0.46 -5.01 117.98 118.19 3i3d s PHE 63 Ca 0.15 -0.39 0.29 0.00 -0.60 0.00 0.00 56.93 56.38 3i3d s PHE 63 Cb -0.12 -0.37 1.19 0.00 0.51 0.00 0.00 43.02 44.23 3i3d s PHE 63 CO 0.04 -0.07 1.85 -1.00 0.70 0.00 0.00 175.22 176.75 3i3d h PRO 64 N 4.91 0.00 -2.28 0.24 0.13 -1.86 0.20 132.00 133.35 3i3d h PRO 64 Ca -0.34 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.90 3i3d h PRO 64 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3i3d h PRO 64 CO 0.43 0.00 0.49 0.00 -0.23 0.00 0.00 178.00 178.69 3i3d s ALA 65 N -3.50 -1.82 0.50 -0.56 0.00 -1.22 -1.35 121.76 113.82 3i3d s ALA 65 Ca 0.03 1.02 0.32 0.00 0.00 0.00 0.00 51.96 53.33 3i3d s ALA 65 Cb 0.09 0.41 1.77 0.00 0.00 0.00 0.00 23.12 25.39 3i3d s ALA 65 CO 0.46 -0.68 2.19 -1.00 0.00 0.00 0.00 175.76 176.72 3i3d h PRO 66 N 2.01 0.00 0.00 0.00 0.13 -1.87 -1.99 132.00 130.28 3i3d h PRO 66 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3i3d h PRO 66 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3i3d h PRO 66 CO 0.31 0.05 0.00 0.93 -0.23 0.00 0.00 178.00 179.06 3i3d h GLU 67 N 0.00 0.00 -0.01 0.86 3.07 -1.95 -2.96 114.58 113.59 3i3d h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i3d h GLU 67 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3i3d h GLU 67 CO 0.01 0.00 -0.18 0.00 -1.40 0.00 0.00 179.01 177.44 3i3d n ALA 68 N -1.99 2.92 -2.57 3.43 0.00 -0.75 -4.87 120.51 116.69 3i3d n ALA 68 Ca 0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 3i3d n ALA 68 Cb 0.31 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.34 4.53 0.27 0.00 1.01 -1.12 -5.00 120.40 117.75 3i3d s VAL 69 Ca 0.28 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 3i3d s VAL 69 Cb 0.20 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 3i3d s VAL 69 CO 0.46 -0.15 1.33 -2.16 0.00 0.00 0.00 175.10 174.57 3i3d s PRO 70 N 3.25 4.36 0.46 2.72 0.04 -1.26 -4.92 135.00 139.65 3i3d s PRO 70 Ca 0.48 2.17 0.11 0.00 0.04 0.00 0.00 61.00 63.81 3i3d s PRO 70 Cb -0.18 -3.12 1.05 0.00 0.04 0.00 0.00 34.50 32.30 3i3d s PRO 70 CO 0.10 -0.24 2.10 0.93 0.04 0.00 0.00 177.00 179.93 3i3d h GLU 71 N 4.33 0.28 -0.14 4.56 3.07 -1.99 -1.46 114.58 123.24 3i3d h GLU 71 Ca -0.47 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.41 3i3d h GLU 71 Cb 1.22 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 3i3d h GLU 71 CO 0.72 0.19 0.16 0.66 -1.40 0.00 0.00 179.01 179.33 3i3d h SER 72 N 0.29 0.00 0.05 1.42 4.64 -1.93 -0.50 113.55 117.52 3i3d h SER 72 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3i3d h SER 72 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3i3d h SER 72 CO -0.02 0.00 -0.01 -0.25 -0.87 0.00 0.00 176.83 175.68 3i3d h TRP 73 N 0.00 0.00 -0.05 4.77 7.01 -1.43 -1.12 115.95 125.13 3i3d h TRP 73 Ca 0.07 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.88 3i3d h TRP 73 Cb 0.38 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 3i3d h TRP 73 CO 0.00 0.01 -0.76 -0.07 -2.79 0.00 0.00 178.44 174.83 3i3d h LEU 74 N 0.00 0.39 0.11 0.65 3.38 -1.26 -3.36 115.31 115.22 3i3d h LEU 74 Ca -0.00 -0.27 -0.29 0.00 0.09 0.00 0.00 57.88 57.41 3i3d h LEU 74 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3i3d h LEU 74 CO 0.00 1.02 -1.53 -0.33 0.09 0.00 0.00 178.44 177.69 3i3d h GLU 75 N 0.21 0.23 -3.83 1.13 4.39 -1.41 -3.30 114.58 112.01 3i3d h GLU 75 Ca -0.03 -0.40 -0.09 0.00 0.34 0.00 0.00 59.36 59.17 3i3d h GLU 75 Cb 1.34 0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 30.01 3i3d h GLU 75 CO 0.12 1.19 -0.33 0.00 -1.16 0.00 0.00 179.01 178.84 3i3d n ASP 77 N -0.15 2.23 -4.65 0.00 2.03 -1.26 -4.23 116.55 110.51 3i3d n ASP 77 Ca -0.11 1.18 -0.42 0.00 0.52 0.00 0.00 54.79 55.97 3i3d n ASP 77 Cb 0.63 -1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 39.59 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 -0.28 4.12 0.55 -2.67 1.43 -1.26 -4.93 118.68 115.64 3i3d s LEU 78 Ca 0.60 1.09 0.24 0.00 -1.03 0.00 0.00 54.13 55.02 3i3d s LEU 78 Cb -0.64 -3.21 1.48 0.00 0.03 0.00 0.00 46.19 43.86 3i3d s LEU 78 CO 0.59 -0.47 2.11 1.55 0.23 0.00 0.00 176.35 180.35 3i3d h PRO 79 N 7.54 0.00 0.00 1.29 0.13 -2.03 -0.17 132.00 138.76 3i3d h PRO 79 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3i3d h PRO 79 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i3d h PRO 79 CO 0.86 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.78 3i3d n GLU 80 N -4.20 0.01 -1.32 0.86 0.00 -1.26 -4.85 120.64 109.87 3i3d n GLU 80 Ca 0.02 0.07 -0.31 0.00 0.00 0.00 0.00 57.16 56.93 3i3d n GLU 80 Cb 0.29 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.32 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 -2.99 2.26 0.30 -1.84 0.00 -0.08 -4.96 121.76 114.45 3i3d s ALA 81 Ca 0.12 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.50 3i3d s ALA 81 Cb 0.16 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3i3d s ALA 81 CO 0.45 -1.73 0.14 -0.51 0.00 0.00 0.00 175.76 174.11 3i3d s ASP 82 N -3.21 4.92 -0.27 0.00 1.01 0.10 -4.86 116.67 114.36 3i3d s ASP 82 Ca 0.62 -0.58 -0.12 0.00 0.71 0.00 0.00 52.55 53.18 3i3d s ASP 82 Cb -0.18 -0.94 -0.05 0.00 1.01 0.00 0.00 42.92 42.76 3i3d s ASP 82 CO 0.54 -0.18 0.22 -0.89 0.21 0.00 0.00 175.17 175.07 3i3d s THR 83 N -2.32 5.29 0.18 -1.27 2.01 -1.26 0.18 115.64 118.45 3i3d s THR 83 Ca 0.36 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.63 3i3d s THR 83 Cb -0.05 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 3i3d s THR 83 CO 0.23 0.24 -0.03 0.68 -0.69 0.00 0.00 174.62 175.05 3i3d s VAL 84 N 1.73 0.91 0.26 3.82 -7.23 -0.00 -4.94 120.40 114.95 3i3d s VAL 84 Ca 0.08 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 57.99 3i3d s VAL 84 Cb -0.16 -2.07 -0.09 0.00 0.56 0.00 0.00 36.38 34.62 3i3d s VAL 84 CO 0.10 -0.54 0.86 -0.69 -0.31 0.00 0.00 175.10 174.52 3i3d s VAL 85 N -3.50 4.30 -0.01 1.32 1.01 -1.26 -0.58 120.40 121.68 3i3d s VAL 85 Ca 0.22 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.93 3i3d s VAL 85 Cb 0.05 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3i3d s VAL 85 CO 0.04 0.27 -0.04 -0.69 0.00 0.00 0.00 175.10 174.68 3i3d s VAL 86 N -1.46 0.32 0.66 2.92 1.01 -0.21 -4.26 120.40 119.39 3i3d s VAL 86 Ca 0.45 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 3i3d s VAL 86 Cb -0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 3i3d s VAL 86 CO 0.25 0.11 1.15 -2.16 0.00 0.00 0.00 175.10 174.44 3i3d s PRO 87 N 0.11 2.72 -0.14 2.72 0.04 -1.26 -1.24 135.00 137.95 3i3d s PRO 87 Ca -0.01 1.56 -0.34 0.00 0.04 0.00 0.00 61.00 62.26 3i3d s PRO 87 Cb -0.04 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.71 3i3d s PRO 87 CO -0.00 -1.35 1.28 -1.54 0.04 0.00 0.00 177.00 175.42 3i3d s SER 88 N -2.22 -0.08 -0.14 6.66 1.04 0.21 -4.92 113.70 114.25 3i3d s SER 88 Ca 0.71 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 57.04 3i3d s SER 88 Cb -0.24 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 3i3d s SER 88 CO 0.40 -0.21 0.03 0.20 0.98 0.00 0.00 173.24 174.63 3i3d s ASN 89 N -2.49 5.40 0.29 7.02 -0.87 -1.26 -3.21 114.94 119.82 3i3d s ASN 89 Ca 0.12 0.10 0.25 0.00 -1.57 0.00 0.00 52.86 51.76 3i3d s ASN 89 Cb 0.02 -1.77 0.98 0.00 -0.02 0.00 0.00 41.25 40.46 3i3d s ASN 89 CO -0.04 0.27 1.76 4.11 -2.57 0.00 0.00 177.10 180.62 3i3d h TRP 90 N 6.00 0.00 -0.10 2.20 0.09 -1.84 -2.24 115.95 120.07 3i3d h TRP 90 Ca -0.42 0.00 -0.13 0.00 0.09 0.00 0.00 58.89 58.43 3i3d h TRP 90 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.41 3i3d h TRP 90 CO 0.60 0.00 -0.52 1.96 0.09 0.00 0.00 178.44 180.57 3i3d h GLN 91 N 0.00 0.27 0.00 0.12 7.50 -1.81 -2.07 115.11 119.12 3i3d h GLN 91 Ca 0.00 -0.16 0.00 0.00 0.50 0.00 0.00 58.65 58.99 3i3d h GLN 91 Cb 0.47 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.01 3i3d h GLN 91 CO 0.00 0.72 0.00 -1.33 -1.50 0.00 0.00 178.83 176.72 3i3d n MET 92 N -3.94 0.16 0.00 1.46 2.81 -0.84 -1.53 117.12 115.23 3i3d n MET 92 Ca -0.02 0.38 0.12 0.00 -1.81 0.00 0.00 57.70 56.37 3i3d n MET 92 Cb 0.56 -1.79 0.10 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.09 0.00 -0.70 2.03 8.25 -0.81 -4.98 115.22 116.92 3i3d n HIS 93 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3i3d n HIS 93 Cb 0.23 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 1.36 0.73 0.22 -1.41 0.00 -0.58 -4.95 105.19 100.56 3i3d n GLY 94 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.29 -3.16 1.61 -1.99 -1.70 -3.46 116.97 108.56 3i3d h TYR 95 Ca 0.00 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.69 3i3d h TYR 95 Cb 0.00 -0.07 -0.05 0.00 2.00 0.00 0.00 36.73 38.61 3i3d h TYR 95 CO 0.00 0.51 0.16 0.16 -0.00 0.00 0.00 178.16 178.99 3i3d s ASP 96 N -6.87 -0.13 0.17 3.88 1.47 -1.26 -5.05 116.67 108.89 3i3d s ASP 96 Ca -0.05 -0.81 -0.26 0.00 1.18 0.00 0.00 52.55 52.61 3i3d s ASP 96 Cb 0.14 0.73 -0.08 0.00 -0.34 0.00 0.00 42.92 43.37 3i3d s ASP 96 CO 0.76 -1.38 0.80 0.00 0.68 0.00 0.00 175.17 176.02 3i3d s ALA 97 N -3.57 3.44 0.30 2.11 0.00 -1.26 -4.36 121.76 118.42 3i3d s ALA 97 Ca 0.15 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 3i3d s ALA 97 Cb -0.05 -2.99 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 3i3d s ALA 97 CO 0.09 0.28 0.91 -1.25 0.00 0.00 0.00 175.76 175.79 3i3d s PRO 98 N -1.14 4.55 -0.17 0.00 0.04 -1.26 -4.99 135.00 132.03 3i3d s PRO 98 Ca 0.36 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 3i3d s PRO 98 Cb -0.23 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.45 3i3d s PRO 98 CO 0.27 0.32 -0.13 0.42 0.04 0.00 0.00 177.00 177.92 3i3d s ILE 99 N -1.57 2.86 -0.39 0.56 1.01 -1.09 -4.63 121.20 117.96 3i3d s ILE 99 Ca 0.48 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 3i3d s ILE 99 Cb -0.19 -2.23 0.05 0.00 0.01 0.00 0.00 42.46 40.11 3i3d s ILE 99 CO 0.24 0.50 0.21 -0.47 0.00 0.00 0.00 174.94 175.41 3i3d s TYR 100 N 0.89 3.29 0.01 3.97 5.04 -1.26 0.29 117.35 129.59 3i3d s TYR 100 Ca -0.03 -1.35 0.02 0.00 -2.44 0.00 0.00 57.07 53.27 3i3d s TYR 100 Cb -0.15 -2.64 -0.01 0.00 0.35 0.00 0.00 41.96 39.51 3i3d s TYR 100 CO -0.01 -0.76 -0.06 -0.08 -1.34 0.00 0.00 175.55 173.30 3i3d s THR 101 N 1.45 0.41 0.00 4.34 -1.32 -1.26 -1.20 115.64 118.06 3i3d s THR 101 Ca 0.02 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 3i3d s THR 101 Cb -0.21 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 3i3d s THR 101 CO 0.04 -0.06 0.00 -3.20 -2.21 0.00 0.00 174.62 169.18 3i3d n ASN 102 N 2.46 0.00 -0.08 8.08 2.85 -1.26 -4.03 115.26 123.28 3i3d n ASN 102 Ca -0.16 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.18 3i3d n ASN 102 Cb 0.57 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.53 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 0.51 -2.20 3.44 2.07 -1.93 -3.37 116.25 114.77 3i3d h VAL 103 Ca 0.00 -1.61 -0.59 0.00 0.82 0.00 0.00 66.70 65.32 3i3d h VAL 103 Cb 0.00 1.19 0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3i3d h VAL 103 CO 0.00 0.17 0.93 0.41 0.02 0.00 0.00 177.57 179.11 3i3d n THR 104 N -4.54 0.25 -1.70 2.57 -1.04 -1.26 -3.24 114.28 105.31 3i3d n THR 104 Ca -0.18 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.40 3i3d n THR 104 Cb 0.45 -1.71 0.05 0.00 -1.82 0.00 0.00 70.33 67.30 3i3d n THR 104 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3i3d n TYR 105 N 4.79 1.82 1.24 -1.42 4.02 -1.26 -4.88 117.16 121.47 3i3d n TYR 105 Ca 0.19 0.44 0.12 0.00 -0.01 0.00 0.00 57.90 58.64 3i3d n TYR 105 Cb 0.30 -2.28 0.65 0.00 -0.02 0.00 0.00 39.34 37.98 3i3d n TYR 105 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3i3d n PRO 106 N -1.17 0.42 -4.27 -0.72 -0.04 -1.26 -4.76 135.00 123.20 3i3d n PRO 106 Ca 0.12 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.47 3i3d n PRO 106 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.49 1.33 0.31 0.52 -4.36 -1.26 -5.05 121.20 110.19 3i3d s ILE 107 Ca 0.26 -2.05 -0.29 0.00 -0.26 0.00 0.00 60.65 58.30 3i3d s ILE 107 Cb 0.17 -1.85 -0.12 0.00 1.25 0.00 0.00 42.46 41.91 3i3d s ILE 107 CO 0.37 -0.67 1.44 0.41 0.24 0.00 0.00 174.94 176.73 3i3d n THR 108 N -0.14 1.46 -2.61 8.37 -1.04 -1.26 -4.87 114.28 114.18 3i3d n THR 108 Ca -0.10 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.05 61.13 3i3d n THR 108 Cb 0.60 -1.72 -0.03 0.00 -1.82 0.00 0.00 70.33 67.36 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 -0.53 3.92 -0.42 12.58 1.01 -1.26 -4.78 120.40 130.91 3i3d s VAL 109 Ca 0.61 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.53 3i3d s VAL 109 Cb -0.55 -4.92 0.31 0.00 0.00 0.00 0.00 36.38 31.21 3i3d s VAL 109 CO 0.56 -1.81 0.82 -3.20 0.00 0.00 0.00 175.10 171.47 3i3d n ASN 110 N 8.85 -0.69 -4.65 3.32 5.15 -1.26 -5.12 115.26 120.86 3i3d n ASN 110 Ca 0.12 -3.19 -0.43 0.00 -0.60 0.00 0.00 54.58 50.49 3i3d n ASN 110 Cb 0.49 0.42 -0.00 0.00 -0.53 0.00 0.00 39.78 40.16 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 0.70 1.74 -0.86 1.20 -0.04 -1.26 -0.59 135.00 135.88 3i3d n PRO 111 Ca 0.17 0.61 -0.01 0.00 -0.04 0.00 0.00 63.50 64.23 3i3d n PRO 111 Cb 0.64 -2.15 0.30 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.45 3.78 -2.70 0.54 -0.04 -1.26 -5.10 135.00 130.67 3i3d n PRO 112 Ca 0.07 -2.71 -0.32 0.00 -0.04 0.00 0.00 63.50 60.50 3i3d n PRO 112 Cb 0.36 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 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 -2.63 3.40 0.24 0.54 0.40 0.24 -4.37 117.98 115.81 3i3d s PHE 113 Ca 0.48 1.42 0.05 0.00 -0.60 0.00 0.00 56.93 58.29 3i3d s PHE 113 Cb 0.38 -2.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.13 3i3d s PHE 113 CO 0.13 -0.18 -0.05 0.14 0.70 0.00 0.00 175.22 175.95 3i3d s VAL 114 N -2.35 1.40 0.54 -0.44 -7.23 -1.26 -4.53 120.40 106.52 3i3d s VAL 114 Ca 0.58 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.45 3i3d s VAL 114 Cb -0.10 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 3i3d s VAL 114 CO 0.23 -0.38 1.13 -2.65 -0.31 0.00 0.00 175.10 173.12 3i3d n PRO 115 N -0.47 1.31 0.08 4.82 -0.02 -1.26 -4.90 135.00 134.56 3i3d n PRO 115 Ca -0.06 0.49 -0.03 0.00 -2.02 0.00 0.00 63.50 61.88 3i3d n PRO 115 Cb 0.63 -2.30 0.21 0.00 -0.02 0.00 0.00 33.50 32.02 3i3d n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3i3d h THR 116 N 1.08 1.30 -1.63 3.45 1.35 -2.00 -3.31 112.91 113.16 3i3d h THR 116 Ca -0.49 -1.50 -0.63 0.00 -0.55 0.00 0.00 66.41 63.25 3i3d h THR 116 Cb 1.33 1.64 -0.13 0.00 -1.73 0.00 0.00 68.15 69.26 3i3d h THR 116 CO 0.55 0.45 1.23 -1.61 -0.25 0.00 0.00 175.52 175.89 3i3d s GLU 117 N -4.19 3.58 -0.41 4.72 0.41 -1.26 -4.74 118.70 116.81 3i3d s GLU 117 Ca -0.05 -1.33 -0.01 0.00 -0.41 0.00 0.00 54.97 53.17 3i3d s GLU 117 Cb 0.13 -5.16 0.11 0.00 -1.78 0.00 0.00 34.13 27.44 3i3d s GLU 117 CO 0.78 -2.04 0.18 1.21 -0.49 0.00 0.00 175.26 174.90 3i3d s ASN 118 N 4.44 5.11 -0.27 -0.19 3.84 -0.45 -4.97 114.94 122.44 3i3d s ASN 118 Ca 0.41 -2.14 -0.42 0.00 0.21 0.00 0.00 52.86 50.92 3i3d s ASN 118 Cb -0.02 -1.77 -0.18 0.00 -0.55 0.00 0.00 41.25 38.73 3i3d s ASN 118 CO -0.09 -0.48 1.56 -2.65 -2.79 0.00 0.00 177.10 172.65 3i3d n PRO 119 N 4.40 0.62 -4.45 0.43 -0.02 -1.22 -3.41 135.00 131.36 3i3d n PRO 119 Ca 0.00 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.38 3i3d n PRO 119 Cb 0.41 -1.82 -0.16 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.53 2.39 -0.29 3.45 2.01 0.71 -1.50 115.64 124.95 3i3d s THR 120 Ca 0.98 -0.85 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 3i3d s THR 120 Cb -1.23 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3i3d s THR 120 CO 0.68 0.52 0.19 -0.83 -0.69 0.00 0.00 174.62 174.50 3i3d s GLY 121 N 0.96 1.93 -0.49 4.40 0.00 0.67 -1.36 107.32 113.43 3i3d s GLY 121 Ca -0.03 -1.14 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 3i3d s GLY 121 CO -0.04 0.67 0.43 0.00 0.00 0.00 0.00 173.10 174.16 3i3d s TYR 123 N 1.63 3.51 -0.00 0.00 1.51 0.27 -2.13 117.35 122.14 3i3d s TYR 123 Ca 0.04 0.26 -0.21 0.00 -1.01 0.00 0.00 57.07 56.15 3i3d s TYR 123 Cb -0.26 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3i3d s TYR 123 CO 0.06 0.57 0.45 -1.54 -1.11 0.00 0.00 175.55 173.98 3i3d s SER 124 N -2.55 -0.36 -0.14 2.29 1.04 -0.50 -0.09 113.70 113.38 3i3d s SER 124 Ca 0.35 0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.95 3i3d s SER 124 Cb -0.13 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.46 3i3d s SER 124 CO 0.28 -0.57 0.35 -0.22 0.98 0.00 0.00 173.24 174.06 3i3d s LEU 125 N -1.51 0.14 -0.32 2.42 2.96 -0.61 -0.96 118.68 120.79 3i3d s LEU 125 Ca -0.10 0.75 -0.12 0.00 -0.22 0.00 0.00 54.13 54.44 3i3d s LEU 125 Cb -0.02 1.12 -0.03 0.00 0.50 0.00 0.00 46.19 47.75 3i3d s LEU 125 CO 0.04 -0.18 0.22 -0.89 -1.32 0.00 0.00 176.35 174.22 3i3d s THR 126 N 1.28 5.26 0.12 3.68 2.01 -1.26 -0.53 115.64 126.20 3i3d s THR 126 Ca -0.09 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.84 3i3d s THR 126 Cb -0.09 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3i3d s THR 126 CO -0.10 0.09 -0.02 0.72 -0.69 0.00 0.00 174.62 174.61 3i3d s PHE 127 N 1.73 0.95 0.01 4.92 -0.12 0.59 -4.92 117.98 121.14 3i3d s PHE 127 Ca 0.06 -1.01 -0.01 0.00 -0.05 0.00 0.00 56.93 55.92 3i3d s PHE 127 Cb -0.17 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.63 3i3d s PHE 127 CO 0.10 -0.25 0.15 -0.80 -0.05 0.00 0.00 175.22 174.38 3i3d s ASN 128 N -3.07 6.10 -0.08 1.98 0.01 -1.25 0.20 114.94 118.82 3i3d s ASN 128 Ca 0.17 0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.58 3i3d s ASN 128 Cb 0.06 -1.85 0.02 0.00 0.41 0.00 0.00 41.25 39.89 3i3d s ASN 128 CO -0.02 0.25 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.03 3i3d s VAL 129 N -1.31 1.08 0.37 1.60 1.01 0.96 -4.95 120.40 119.16 3i3d s VAL 129 Ca 0.27 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 3i3d s VAL 129 Cb -0.12 -1.03 -0.11 0.00 0.00 0.00 0.00 36.38 35.12 3i3d s VAL 129 CO 0.18 0.36 1.46 -1.81 0.00 0.00 0.00 175.10 175.29 3i3d s ASP 130 N 1.09 6.39 0.39 3.32 1.11 -1.26 -1.52 116.67 126.18 3i3d s ASP 130 Ca -0.06 2.99 0.08 0.00 0.18 0.00 0.00 52.55 55.73 3i3d s ASP 130 Cb -0.14 -2.66 0.78 0.00 1.07 0.00 0.00 42.92 41.96 3i3d s ASP 130 CO -0.01 -0.84 1.96 1.05 1.18 0.00 0.00 175.17 178.51 3i3d h GLU 131 N 3.02 0.41 -0.23 8.23 4.11 -1.95 -2.10 114.58 126.07 3i3d h GLU 131 Ca -0.51 -0.06 0.07 0.00 0.07 0.00 0.00 59.36 58.93 3i3d h GLU 131 Cb 1.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3i3d h GLU 131 CO 0.64 0.40 0.20 0.66 0.07 0.00 0.00 179.01 180.99 3i3d h SER 132 N 0.40 0.00 1.19 3.06 4.64 -1.98 0.21 113.55 121.07 3i3d h SER 132 Ca 0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3i3d h SER 132 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3i3d h SER 132 CO -0.00 0.00 -0.15 -0.50 -0.87 0.00 0.00 176.83 175.31 3i3d h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.66 -3.22 115.95 119.90 3i3d h TRP 133 Ca 0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.06 3i3d h TRP 133 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 3i3d h TRP 133 CO 0.00 0.15 -1.45 1.28 -3.56 0.00 0.00 178.44 174.87 3i3d n LEU 134 N -3.24 0.32 0.02 -4.49 4.77 0.57 -4.30 117.00 110.65 3i3d n LEU 134 Ca 0.01 -0.19 0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3i3d n LEU 134 Cb 0.44 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.98 3i3d n LEU 134 CO 0.32 0.08 0.84 0.00 -1.33 0.00 0.00 177.39 177.30 3i3d n GLN 135 N -1.86 0.03 -3.59 3.23 6.02 -0.29 -4.86 117.38 116.06 3i3d n GLN 135 Ca -0.01 0.16 -0.04 0.00 -0.01 0.00 0.00 57.00 57.10 3i3d n GLN 135 Cb 0.40 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 3i3d n GLN 135 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i3d s GLU 136 N -3.03 0.37 0.99 -1.09 -1.05 -1.25 -5.10 118.70 108.54 3i3d s GLU 136 Ca 0.10 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 3i3d s GLU 136 Cb 0.13 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3i3d s GLU 136 CO 0.40 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.85 3i3d n GLY 137 N -0.14 -2.03 3.17 -3.83 0.00 -1.26 -4.72 105.19 96.37 3i3d n GLY 137 Ca -0.01 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.09 2.83 -0.25 1.61 0.74 0.18 -4.80 119.66 119.88 3i3d s GLN 138 Ca 0.00 -0.80 -0.06 0.00 0.05 0.00 0.00 55.36 54.55 3i3d s GLN 138 Cb 0.00 -2.21 -0.01 0.00 1.10 0.00 0.00 33.01 31.89 3i3d s GLN 138 CO 0.00 0.09 0.04 0.99 -0.55 0.00 0.00 175.29 175.86 3i3d s THR 139 N 0.57 3.92 0.24 -0.34 2.01 -1.26 -0.67 115.64 120.10 3i3d s THR 139 Ca -0.14 -0.42 0.11 0.00 0.31 0.00 0.00 61.69 61.55 3i3d s THR 139 Cb -0.17 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 3i3d s THR 139 CO 0.04 0.29 -0.20 0.00 -0.69 0.00 0.00 174.62 174.07 3i3d s ARG 140 N 1.54 1.68 -0.06 4.92 1.70 -0.06 -0.33 118.95 128.35 3i3d s ARG 140 Ca 0.05 -1.61 0.03 0.00 -0.47 0.00 0.00 55.73 53.73 3i3d s ARG 140 Cb -0.15 -1.85 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 3i3d s ARG 140 CO 0.01 0.37 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.98 3i3d s ILE 141 N -2.10 3.25 -0.15 4.99 2.07 -0.19 -0.75 121.20 128.32 3i3d s ILE 141 Ca 0.26 -0.65 0.01 0.00 -1.41 0.00 0.00 60.65 58.86 3i3d s ILE 141 Cb -0.07 -2.29 0.02 0.00 0.13 0.00 0.00 42.46 40.25 3i3d s ILE 141 CO 0.13 0.59 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.94 3i3d s ILE 142 N -0.72 1.85 -0.44 2.00 1.01 0.13 -1.83 121.20 123.20 3i3d s ILE 142 Ca 0.11 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 3i3d s ILE 142 Cb -0.11 -1.68 0.09 0.00 0.01 0.00 0.00 42.46 40.77 3i3d s ILE 142 CO 0.01 0.51 0.30 -0.36 0.00 0.00 0.00 174.94 175.40 3i3d s PHE 143 N 1.22 3.36 0.51 3.97 0.40 -0.59 -0.98 117.98 125.87 3i3d s PHE 143 Ca 0.01 -1.61 0.31 0.00 -0.60 0.00 0.00 56.93 55.04 3i3d s PHE 143 Cb -0.14 -3.18 1.73 0.00 0.51 0.00 0.00 43.02 41.94 3i3d s PHE 143 CO -0.09 -0.90 2.18 -0.44 0.70 0.00 0.00 175.22 176.68 3i3d h ASP 144 N 8.45 0.00 -0.94 1.36 3.32 -1.07 -0.69 116.42 126.86 3i3d h ASP 144 Ca -0.23 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.00 3i3d h ASP 144 Cb 1.08 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.39 3i3d h ASP 144 CO 0.81 0.05 0.22 -0.83 -1.72 0.00 0.00 179.24 177.76 3i3d s GLY 145 N -4.15 -0.21 -0.08 2.75 0.00 -1.26 -3.34 107.32 101.03 3i3d s GLY 145 Ca -0.04 3.02 0.00 0.00 0.00 0.00 0.00 44.72 47.70 3i3d s GLY 145 CO 0.55 3.28 -0.05 0.14 0.00 0.00 0.00 173.10 177.01 3i3d s VAL 146 N 2.48 0.76 -0.25 1.40 1.01 -1.24 -2.50 120.40 122.06 3i3d s VAL 146 Ca -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 3i3d s VAL 146 Cb -0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 3i3d s VAL 146 CO -0.17 0.31 0.03 0.21 0.00 0.00 0.00 175.10 175.48 3i3d s ASN 147 N 1.45 4.83 0.00 3.32 3.84 0.10 -4.03 114.94 124.45 3i3d s ASN 147 Ca -0.01 -0.45 0.03 0.00 0.21 0.00 0.00 52.86 52.64 3i3d s ASN 147 Cb -0.13 -1.84 -0.03 0.00 -0.55 0.00 0.00 41.25 38.69 3i3d s ASN 147 CO -0.04 -0.08 0.18 -1.54 -2.79 0.00 0.00 177.10 172.83 3i3d n SER 148 N 4.86 0.25 -3.50 -4.21 3.41 -0.70 -0.34 113.62 113.38 3i3d n SER 148 Ca -0.16 -0.63 -0.13 0.00 -0.26 0.00 0.00 58.87 57.69 3i3d n SER 148 Cb 0.50 0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 65.34 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 -1.25 -1.51 -0.01 7.33 0.00 -1.18 -3.84 121.76 121.29 3i3d s ALA 149 Ca 0.02 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.32 3i3d s ALA 149 Cb 0.03 0.58 0.10 0.00 0.00 0.00 0.00 23.12 23.82 3i3d s ALA 149 CO 0.14 -0.62 0.85 -0.59 0.00 0.00 0.00 175.76 175.54 3i3d s PHE 150 N -2.95 -0.40 0.06 0.00 -0.12 -0.97 -0.69 117.98 112.91 3i3d s PHE 150 Ca -0.03 0.38 0.06 0.00 -0.05 0.00 0.00 56.93 57.29 3i3d s PHE 150 Cb -0.00 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3i3d s PHE 150 CO -0.06 -0.56 -0.09 -1.01 -0.05 0.00 0.00 175.22 173.45 3i3d s HIS 151 N -2.69 2.78 -0.04 3.49 3.76 -0.77 -1.70 115.29 120.12 3i3d s HIS 151 Ca 0.02 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 3i3d s HIS 151 Cb -0.01 -1.50 -0.00 0.00 1.11 0.00 0.00 32.58 32.18 3i3d s HIS 151 CO -0.06 0.39 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.88 3i3d s LEU 152 N -1.84 1.91 0.06 0.89 2.96 0.15 -1.72 118.68 121.09 3i3d s LEU 152 Ca 0.19 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3i3d s LEU 152 Cb -0.11 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 3i3d s LEU 152 CO 0.11 0.15 -0.17 0.26 -1.32 0.00 0.00 176.35 175.38 3i3d s TRP 153 N 0.03 1.45 -0.07 5.38 0.51 0.09 0.54 118.94 126.88 3i3d s TRP 153 Ca -0.03 -0.40 -0.01 0.00 -2.12 0.00 0.00 56.10 53.54 3i3d s TRP 153 Cb -0.11 -0.83 0.03 0.00 -0.81 0.00 0.00 33.47 31.74 3i3d s TRP 153 CO 0.02 0.09 -0.02 0.00 -0.51 0.00 0.00 176.95 176.53 3i3d n ASN 155 N 4.82 -4.17 0.00 0.00 3.02 0.07 -1.52 115.26 117.47 3i3d n ASN 155 Ca -0.13 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3i3d n ASN 155 Cb 0.50 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 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 -1.67 2.76 3.81 7.41 0.00 -1.24 -5.02 105.19 111.24 3i3d n GLY 156 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.10 3.83 0.19 1.61 0.52 -0.58 -4.93 118.95 119.49 3i3d s ARG 157 Ca 0.00 -0.04 -0.31 0.00 -0.52 0.00 0.00 55.73 54.86 3i3d s ARG 157 Cb 0.00 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 32.09 3i3d s ARG 157 CO 0.00 0.56 1.42 -0.46 0.02 0.00 0.00 175.30 176.84 3i3d s TRP 158 N -0.43 3.14 -0.15 -0.53 -0.00 -1.26 -0.72 118.94 118.99 3i3d s TRP 158 Ca 0.15 0.97 -0.09 0.00 -0.00 0.00 0.00 56.10 57.13 3i3d s TRP 158 Cb -0.13 -3.75 -0.06 0.00 -0.00 0.00 0.00 33.47 29.53 3i3d s TRP 158 CO 0.04 -2.56 -0.22 0.28 -0.00 0.00 0.00 176.95 174.49 3i3d n VAL 159 N 3.14 1.07 -3.40 5.86 0.31 0.19 -4.90 118.33 120.60 3i3d n VAL 159 Ca 0.09 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3i3d n VAL 159 Cb 0.41 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 1.99 1.17 3.14 2.92 0.00 -1.07 -4.75 105.19 108.58 3i3d n GLY 160 Ca -0.28 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.42 0.19 -0.12 1.61 5.04 -0.75 -0.68 117.35 118.22 3i3d s TYR 161 Ca 0.00 -0.51 -0.29 0.00 -2.44 0.00 0.00 57.07 53.83 3i3d s TYR 161 Cb 0.00 -0.13 0.08 0.00 0.35 0.00 0.00 41.96 42.26 3i3d s TYR 161 CO 0.00 -0.40 0.76 0.20 -1.34 0.00 0.00 175.55 174.78 3i3d s GLY 162 N -2.25 -0.49 0.46 8.97 0.00 -0.69 -1.11 107.32 112.21 3i3d s GLY 162 Ca -0.03 1.65 0.02 0.00 0.00 0.00 0.00 44.72 46.36 3i3d s GLY 162 CO -0.05 1.16 0.08 -1.06 0.00 0.00 0.00 173.10 173.23 3i3d n GLN 163 N 1.27 0.67 -1.56 2.90 6.02 0.12 -2.29 117.38 124.51 3i3d n GLN 163 Ca -0.16 -3.60 -0.01 0.00 -0.01 0.00 0.00 57.00 53.22 3i3d n GLN 163 Cb 0.57 1.47 -0.01 0.00 1.02 0.00 0.00 30.24 33.29 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 -1.42 -1.98 0.19 1.08 -0.08 -1.25 -4.91 116.55 108.19 3i3d n ASP 164 Ca -0.13 0.18 0.14 0.00 -1.51 0.00 0.00 54.79 53.47 3i3d n ASP 164 Cb 0.63 -1.53 0.63 0.00 2.34 0.00 0.00 41.12 43.19 3i3d n ASP 164 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3i3d h SER 165 N 0.52 0.00 -0.26 1.67 0.02 -1.75 -3.29 113.55 110.46 3i3d h SER 165 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3i3d h SER 165 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3i3d h SER 165 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 3i3d n ARG 166 N -2.51 2.10 -4.28 3.45 5.12 -1.26 -3.69 116.66 115.59 3i3d n ARG 166 Ca 0.00 -1.81 -0.21 0.00 -1.93 0.00 0.00 57.85 53.90 3i3d n ARG 166 Cb 0.18 -1.28 -0.11 0.00 -1.16 0.00 0.00 32.46 30.09 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 -1.02 2.39 0.26 0.55 1.43 -1.24 -4.48 118.68 116.56 3i3d s LEU 167 Ca 0.22 -0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 3i3d s LEU 167 Cb 0.13 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.54 3i3d s LEU 167 CO 0.17 -0.06 1.25 -2.16 0.23 0.00 0.00 176.35 175.78 3i3d s PRO 168 N -2.52 4.44 -0.18 1.29 0.04 -1.21 -4.48 135.00 132.38 3i3d s PRO 168 Ca 0.10 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 3i3d s PRO 168 Cb -0.06 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 3i3d s PRO 168 CO 0.05 -0.11 -0.04 -1.12 0.04 0.00 0.00 177.00 175.81 3i3d s SER 169 N -0.21 4.53 -0.01 6.66 0.01 -0.26 -4.95 113.70 119.46 3i3d s SER 169 Ca 0.51 -0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.59 3i3d s SER 169 Cb -0.36 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 3i3d s SER 169 CO 0.43 0.08 -0.25 -1.61 0.41 0.00 0.00 173.24 172.30 3i3d s GLU 170 N 0.89 2.07 0.01 12.44 2.02 -1.26 -1.54 118.70 133.34 3i3d s GLU 170 Ca -0.01 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.05 3i3d s GLU 170 Cb -0.15 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 3i3d s GLU 170 CO 0.01 0.55 -0.07 -0.06 0.02 0.00 0.00 175.26 175.72 3i3d s PHE 171 N -0.66 0.57 -0.36 1.61 0.40 -0.76 -0.35 117.98 118.43 3i3d s PHE 171 Ca 0.11 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 55.92 3i3d s PHE 171 Cb -0.10 -0.36 0.02 0.00 0.51 0.00 0.00 43.02 43.09 3i3d s PHE 171 CO -0.00 -0.03 0.99 0.34 0.70 0.00 0.00 175.22 177.22 3i3d s ASP 172 N -0.65 6.76 0.00 1.36 -1.08 -1.26 -1.02 116.67 120.77 3i3d s ASP 172 Ca -0.02 0.73 0.22 0.00 -0.52 0.00 0.00 52.55 52.96 3i3d s ASP 172 Cb -0.05 -2.50 0.36 0.00 -1.46 0.00 0.00 42.92 39.27 3i3d s ASP 172 CO 0.00 -0.90 1.34 0.18 0.52 0.00 0.00 175.17 176.31 3i3d n LEU 173 N 6.90 3.29 -0.31 -1.34 4.77 0.55 -4.66 117.00 126.20 3i3d n LEU 173 Ca 0.09 -1.41 0.16 0.00 -0.03 0.00 0.00 56.01 54.82 3i3d n LEU 173 Cb 0.48 -0.19 0.33 0.00 -2.33 0.00 0.00 43.42 41.70 3i3d n LEU 173 CO 0.60 0.69 0.94 0.28 -1.33 0.00 0.00 177.39 178.56 3i3d h SER 174 N 4.29 -0.02 0.03 -1.43 0.02 -1.82 0.65 113.55 115.27 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 0.95 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3i3d h SER 174 CO 0.00 -0.22 -0.04 0.00 -1.14 0.00 0.00 176.83 175.43 3i3d n ALA 175 N -2.71 2.66 0.27 3.77 0.00 -1.26 -4.07 120.51 119.17 3i3d n ALA 175 Ca 0.24 -0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.32 3i3d n ALA 175 Cb 0.78 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.01 0.00 -3.20 0.00 3.01 0.17 -5.03 117.46 112.39 3i3d n PHE 176 Ca 0.18 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.37 3i3d n PHE 176 Cb 0.34 -0.17 -0.02 0.00 -0.01 0.00 0.00 39.48 39.63 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 -3.33 3.96 0.11 4.37 1.43 -0.88 -4.67 118.68 119.67 3i3d s LEU 177 Ca -0.00 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 3i3d s LEU 177 Cb 0.09 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3i3d s LEU 177 CO 0.54 -0.30 -0.11 0.00 0.23 0.00 0.00 176.35 176.72 3i3d s ARG 178 N -3.95 0.93 0.25 1.70 1.70 -1.26 -5.04 118.95 113.27 3i3d s ARG 178 Ca 0.44 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 54.17 3i3d s ARG 178 Cb -0.10 -0.64 -0.10 0.00 -0.57 0.00 0.00 34.95 33.54 3i3d s ARG 178 CO 0.34 0.10 1.40 0.00 -1.08 0.00 0.00 175.30 176.07 3i3d s ALA 179 N -2.51 3.60 0.00 7.88 0.00 -1.26 -4.61 121.76 124.86 3i3d s ALA 179 Ca 0.08 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3i3d s ALA 179 Cb -0.02 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3i3d s ALA 179 CO 0.01 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3i3d n GLY 180 N 2.10 0.96 3.77 0.00 0.00 -0.58 -4.93 105.19 106.52 3i3d n GLY 180 Ca 0.06 -1.51 -0.39 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 4.65 0.05 1.61 2.02 -1.26 -0.03 118.70 125.74 3i3d s GLU 181 Ca 0.00 1.27 -0.03 0.00 0.02 0.00 0.00 54.97 56.23 3i3d s GLU 181 Cb 0.00 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 3i3d s GLU 181 CO 0.00 0.51 0.04 -0.80 0.02 0.00 0.00 175.26 175.03 3i3d s ASN 182 N -1.25 0.31 -0.10 -0.19 0.01 0.13 -4.80 114.94 109.06 3i3d s ASN 182 Ca 0.40 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 3i3d s ASN 182 Cb -0.23 0.21 0.02 0.00 0.41 0.00 0.00 41.25 41.66 3i3d s ASN 182 CO 0.28 -0.55 -0.09 -0.60 -1.51 0.00 0.00 177.10 174.63 3i3d s ARG 183 N -3.18 1.53 0.03 -0.60 3.52 -1.26 -0.30 118.95 118.70 3i3d s ARG 183 Ca -0.00 -0.28 -0.11 0.00 -0.13 0.00 0.00 55.73 55.21 3i3d s ARG 183 Cb 0.02 -1.50 -0.06 0.00 -1.56 0.00 0.00 34.95 31.85 3i3d s ARG 183 CO -0.07 -0.18 0.37 -0.51 -0.81 0.00 0.00 175.30 174.09 3i3d s LEU 184 N 1.41 4.39 -0.10 -0.88 1.43 0.31 -0.75 118.68 124.49 3i3d s LEU 184 Ca -0.01 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3i3d s LEU 184 Cb -0.13 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.35 3i3d s LEU 184 CO -0.05 0.25 -0.08 0.00 0.23 0.00 0.00 176.35 176.70 3i3d s ALA 185 N -1.26 1.26 -0.16 4.21 0.00 -0.25 -1.58 121.76 123.98 3i3d s ALA 185 Ca 0.28 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3i3d s ALA 185 Cb -0.15 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.21 3i3d s ALA 185 CO 0.15 -0.27 -0.10 0.08 0.00 0.00 0.00 175.76 175.63 3i3d s VAL 186 N 1.42 1.36 -0.43 0.00 1.01 0.87 -0.73 120.40 123.90 3i3d s VAL 186 Ca -0.01 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 3i3d s VAL 186 Cb -0.13 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.89 3i3d s VAL 186 CO -0.05 0.29 0.31 -0.32 0.00 0.00 0.00 175.10 175.33 3i3d s MET 187 N 1.55 2.92 -0.23 2.72 1.75 -0.70 -0.56 119.30 126.74 3i3d s MET 187 Ca 0.02 -1.17 -0.11 0.00 -1.25 0.00 0.00 55.69 53.19 3i3d s MET 187 Cb -0.14 -3.98 -0.05 0.00 2.84 0.00 0.00 34.83 33.50 3i3d s MET 187 CO -0.09 -0.85 0.18 0.08 -0.65 0.00 0.00 175.02 173.70 3i3d s VAL 188 N 1.63 5.35 -0.14 10.11 1.01 0.26 -1.84 120.40 136.77 3i3d s VAL 188 Ca 0.04 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 3i3d s VAL 188 Cb -0.21 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3i3d s VAL 188 CO 0.08 0.34 0.25 -0.76 0.00 0.00 0.00 175.10 175.01 3i3d s LEU 189 N 1.06 4.30 0.05 3.92 1.43 0.13 -0.24 118.68 129.33 3i3d s LEU 189 Ca 0.09 0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 53.49 3i3d s LEU 189 Cb -0.14 -2.29 -0.12 0.00 0.03 0.00 0.00 46.19 43.68 3i3d s LEU 189 CO 0.05 0.21 1.41 -0.09 0.23 0.00 0.00 176.35 178.15 3i3d h ARG 190 N 6.08 0.37 -6.29 1.70 2.43 -1.53 -1.85 114.38 115.29 3i3d h ARG 190 Ca -0.45 -0.16 -0.67 0.00 -0.81 0.00 0.00 59.98 57.89 3i3d h ARG 190 Cb 1.18 -0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.57 3i3d h ARG 190 CO 0.70 0.67 -0.69 -1.58 -1.51 0.00 0.00 179.97 177.57 3i3d s TRP 191 N -4.59 2.93 0.38 2.20 0.23 -1.26 -3.97 118.94 114.86 3i3d s TRP 191 Ca -0.14 -0.02 -0.13 0.00 -2.03 0.00 0.00 56.10 53.78 3i3d s TRP 191 Cb 0.06 -1.59 0.04 0.00 0.03 0.00 0.00 33.47 32.01 3i3d s TRP 191 CO 0.75 0.41 0.72 -1.54 0.96 0.00 0.00 176.95 178.25 3i3d s SER 192 N -1.64 0.21 0.56 2.95 1.04 -1.26 -4.91 113.70 110.65 3i3d s SER 192 Ca 0.19 -1.22 0.34 0.00 0.48 0.00 0.00 55.95 55.74 3i3d s SER 192 Cb -0.11 0.81 1.58 0.00 0.10 0.00 0.00 66.02 68.40 3i3d s SER 192 CO 0.10 -1.61 2.08 -2.24 0.98 0.00 0.00 173.24 172.55 3i3d h ASP 193 N 2.02 0.00 0.55 7.02 3.04 -0.95 -0.53 116.42 127.57 3i3d h ASP 193 Ca -0.31 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.45 3i3d h ASP 193 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3i3d h ASP 193 CO 0.40 0.05 -0.14 1.23 -2.04 0.00 0.00 179.24 178.75 3i3d h GLY 194 N 1.32 0.00 2.00 7.15 0.00 -1.91 -2.53 103.07 109.10 3i3d h GLY 194 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3i3d h GLY 194 CO 0.01 0.00 -0.08 1.76 0.00 0.00 0.00 176.54 178.23 3i3d h SER 195 N 0.00 0.00 0.62 0.19 0.02 -1.44 -1.11 113.55 111.83 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 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3i3d h SER 195 CO 0.02 0.08 0.00 1.88 -1.14 0.00 0.00 176.83 177.67 3i3d h TYR 196 N 0.00 0.00 -0.40 3.45 -1.99 -1.59 -1.89 116.97 114.55 3i3d h TYR 196 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3i3d h TYR 196 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.89 3i3d h TYR 196 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3i3d n LEU 197 N -2.53 3.16 -2.69 3.88 4.77 -0.43 -4.41 117.00 118.76 3i3d n LEU 197 Ca 0.01 -1.74 -0.21 0.00 -0.03 0.00 0.00 56.01 54.03 3i3d n LEU 197 Cb 0.20 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3i3d n LEU 197 CO 0.20 0.75 0.05 -0.62 -1.33 0.00 0.00 177.39 176.44 3i3d n GLU 198 N 1.03 2.49 -1.11 3.23 1.02 -0.71 -1.07 120.64 125.51 3i3d n GLU 198 Ca 0.16 -4.10 -0.25 0.00 -0.02 0.00 0.00 57.16 52.94 3i3d n GLU 198 Cb 0.50 -1.91 0.09 0.00 -0.02 0.00 0.00 31.44 30.10 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 -0.24 5.99 -4.75 1.62 2.03 -0.01 -4.98 116.55 116.21 3i3d n ASP 199 Ca 0.28 -3.45 -0.36 0.00 0.52 0.00 0.00 54.79 51.78 3i3d n ASP 199 Cb 0.66 -0.93 0.05 0.00 -0.72 0.00 0.00 41.12 40.18 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 -2.96 2.81 -0.88 -0.67 1.11 -1.26 -4.59 119.66 113.21 3i3d s GLN 200 Ca 0.51 1.80 -0.25 0.00 0.01 0.00 0.00 55.36 57.43 3i3d s GLN 200 Cb 0.41 -1.91 0.02 0.00 -1.01 0.00 0.00 33.01 30.51 3i3d s GLN 200 CO 0.03 -1.32 1.54 0.34 0.01 0.00 0.00 175.29 175.88 3i3d s ASP 201 N -1.72 6.03 0.02 5.90 2.15 -1.26 -4.84 116.67 122.96 3i3d s ASP 201 Ca 0.77 -0.86 -0.29 0.00 0.43 0.00 0.00 52.55 52.60 3i3d s ASP 201 Cb -0.30 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 39.87 3i3d s ASP 201 CO 0.36 -1.91 1.22 0.00 -0.17 0.00 0.00 175.17 174.66 3i3d s MET 202 N 5.77 0.58 0.36 4.34 0.23 -1.26 -5.02 119.30 124.30 3i3d s MET 202 Ca 0.50 -0.32 -0.28 0.00 -1.03 0.00 0.00 55.69 54.55 3i3d s MET 202 Cb -0.05 0.20 -0.11 0.00 -1.53 0.00 0.00 34.83 33.34 3i3d s MET 202 CO 0.02 -0.26 1.51 0.91 -2.03 0.00 0.00 175.02 175.16 3i3d n TRP 203 N -0.50 2.98 -3.31 3.16 7.02 -1.26 -4.33 117.44 121.20 3i3d n TRP 203 Ca -0.08 0.41 -0.43 0.00 -1.02 0.00 0.00 57.50 56.38 3i3d n TRP 203 Cb 0.62 -2.54 -0.08 0.00 -2.42 0.00 0.00 31.31 26.89 3i3d n TRP 203 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3i3d s ARG 204 N -1.84 3.08 0.08 -0.99 1.81 0.15 -4.93 118.95 116.31 3i3d s ARG 204 Ca 0.55 -0.86 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 3i3d s ARG 204 Cb -0.48 -4.01 -0.00 0.00 -0.45 0.00 0.00 34.95 30.01 3i3d s ARG 204 CO 0.61 -0.93 0.01 -1.33 -0.68 0.00 0.00 175.30 172.98 3i3d n MET 205 N 5.63 1.43 -3.70 3.54 2.81 -1.26 -2.69 117.12 122.88 3i3d n MET 205 Ca -0.08 -0.58 -0.06 0.00 -1.81 0.00 0.00 57.70 55.16 3i3d n MET 205 Cb 0.47 0.22 -0.02 0.00 -0.71 0.00 0.00 33.22 33.18 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 -1.43 -0.28 0.00 7.83 1.04 -1.26 -4.81 113.70 114.78 3i3d s SER 206 Ca 0.01 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3i3d s SER 206 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3i3d s SER 206 CO 0.01 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3i3d n GLY 207 N -0.42 0.49 3.45 7.32 0.00 0.53 -2.23 105.19 114.34 3i3d n GLY 207 Ca -0.07 -2.32 -0.44 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.43 5.00 -2.53 -0.61 1.01 -1.21 -0.73 121.20 121.70 3i3d s ILE 208 Ca 0.00 -2.31 0.27 0.00 0.00 0.00 0.00 60.65 58.61 3i3d s ILE 208 Cb 0.00 -4.84 0.50 0.00 0.01 0.00 0.00 42.46 38.13 3i3d s ILE 208 CO 0.00 -1.54 1.67 2.22 0.00 0.00 0.00 174.94 177.28 3i3d n PHE 209 N 5.75 0.03 -4.45 3.97 1.16 -1.04 -0.62 117.46 122.26 3i3d n PHE 209 Ca 0.31 -0.02 -0.22 0.00 -1.87 0.00 0.00 57.45 55.66 3i3d n PHE 209 Cb 0.45 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.21 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 -1.97 1.63 0.59 3.97 0.52 -1.07 -4.40 118.95 118.23 3i3d s ARG 210 Ca 0.36 -1.89 -0.19 0.00 -0.52 0.00 0.00 55.73 53.50 3i3d s ARG 210 Cb 0.21 -0.94 -0.06 0.00 0.52 0.00 0.00 34.95 34.67 3i3d s ARG 210 CO 0.32 -0.14 0.88 -0.25 0.02 0.00 0.00 175.30 176.14 3i3d n ASP 211 N -0.67 0.44 -4.18 0.23 8.00 -1.26 -4.44 116.55 114.67 3i3d n ASP 211 Ca -0.03 0.80 -0.28 0.00 0.71 0.00 0.00 54.79 55.99 3i3d n ASP 211 Cb 0.66 -1.34 -0.16 0.00 -0.02 0.00 0.00 41.12 40.25 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 -1.54 1.64 0.26 2.53 1.01 -1.26 -0.56 120.40 122.48 3i3d s VAL 212 Ca 0.74 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 3i3d s VAL 212 Cb -0.43 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3i3d s VAL 212 CO 0.49 0.46 0.53 -0.94 0.00 0.00 0.00 175.10 175.64 3i3d s SER 213 N 0.00 -0.06 -0.10 3.32 1.04 -0.15 -0.59 113.70 117.17 3i3d s SER 213 Ca -0.05 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.51 3i3d s SER 213 Cb -0.13 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3i3d s SER 213 CO 0.03 -1.20 -0.23 -0.76 0.98 0.00 0.00 173.24 172.05 3i3d s LEU 214 N -3.02 2.07 -0.07 2.42 1.43 0.68 0.20 118.68 122.39 3i3d s LEU 214 Ca 0.21 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 3i3d s LEU 214 Cb -0.02 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 3i3d s LEU 214 CO 0.09 0.15 -0.23 -0.22 0.23 0.00 0.00 176.35 176.38 3i3d s LEU 215 N 0.37 2.03 -0.19 1.79 2.96 0.07 -0.69 118.68 125.02 3i3d s LEU 215 Ca -0.19 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.18 3i3d s LEU 215 Cb -0.18 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3i3d s LEU 215 CO 0.09 0.20 -0.01 -2.28 -1.32 0.00 0.00 176.35 173.03 3i3d s HIS 216 N 0.05 3.04 0.11 5.38 5.65 -0.00 -0.88 115.29 128.64 3i3d s HIS 216 Ca -0.09 -0.41 0.09 0.00 0.25 0.00 0.00 55.06 54.90 3i3d s HIS 216 Cb -0.15 -2.06 -0.04 0.00 -1.18 0.00 0.00 32.58 29.16 3i3d s HIS 216 CO 0.05 -0.19 -0.23 0.15 -0.65 0.00 0.00 174.74 173.88 3i3d s LYS 217 N 0.86 1.20 0.83 2.88 -0.14 0.15 -4.74 119.74 120.78 3i3d s LYS 217 Ca 0.01 -1.21 -0.11 0.00 -1.36 0.00 0.00 55.97 53.29 3i3d s LYS 217 Cb -0.14 -1.53 0.09 0.00 -1.68 0.00 0.00 37.83 34.57 3i3d s LYS 217 CO 0.02 0.36 1.09 -2.14 -0.76 0.00 0.00 175.35 173.92 3i3d s PRO 218 N -1.95 1.84 0.17 -1.68 0.02 -1.26 0.49 135.00 132.62 3i3d s PRO 218 Ca 0.08 0.82 -0.14 0.00 0.02 0.00 0.00 61.00 61.79 3i3d s PRO 218 Cb -0.10 -1.88 0.06 0.00 0.02 0.00 0.00 34.50 32.60 3i3d s PRO 218 CO 0.05 -1.84 1.76 1.15 -0.33 0.00 0.00 177.00 177.79 3i3d h THR 219 N -1.26 1.19 -3.58 0.99 2.02 -1.93 -3.35 112.91 106.99 3i3d h THR 219 Ca -0.47 -0.51 -0.63 0.00 0.77 0.00 0.00 66.41 65.57 3i3d h THR 219 Cb 1.26 0.54 -0.14 0.00 -1.74 0.00 0.00 68.15 68.07 3i3d h THR 219 CO 0.56 0.21 0.05 -0.89 0.37 0.00 0.00 175.52 175.82 3i3d s THR 220 N -5.79 4.96 0.19 3.16 2.01 -1.26 -4.05 115.64 114.86 3i3d s THR 220 Ca -0.13 0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 3i3d s THR 220 Cb 0.12 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 3i3d s THR 220 CO 0.77 -0.23 0.21 0.00 -0.69 0.00 0.00 174.62 174.68 3i3d s GLN 221 N 2.53 1.20 -0.27 4.92 -2.07 -0.43 -4.91 119.66 120.63 3i3d s GLN 221 Ca 0.22 -1.42 -0.24 0.00 -1.82 0.00 0.00 55.36 52.10 3i3d s GLN 221 Cb -0.15 0.32 -0.00 0.00 -1.09 0.00 0.00 33.01 32.09 3i3d s GLN 221 CO 0.13 -0.42 0.80 0.42 -1.32 0.00 0.00 175.29 174.91 3i3d s ILE 222 N -4.07 4.82 -1.08 3.63 1.01 -1.26 -1.59 121.20 122.66 3i3d s ILE 222 Ca 0.28 1.38 0.19 0.00 0.00 0.00 0.00 60.65 62.50 3i3d s ILE 222 Cb 0.05 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 38.24 3i3d s ILE 222 CO 0.07 -0.14 0.84 -1.54 0.00 0.00 0.00 174.94 174.16 3i3d n SER 223 N 6.08 1.09 0.00 3.58 3.41 0.33 -4.91 113.62 123.21 3i3d n SER 223 Ca 0.04 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 3i3d n SER 223 Cb 0.48 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 3i3d n SER 223 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i3d n ASP 224 N -1.16 0.00 -3.63 4.04 2.03 -1.18 -4.88 116.55 111.76 3i3d n ASP 224 Ca 0.05 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.25 3i3d n ASP 224 Cb 0.32 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 3i3d n ASP 224 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3i3d s PHE 225 N -2.00 -0.74 -0.06 -0.67 -0.12 -1.26 -0.78 117.98 112.34 3i3d s PHE 225 Ca 0.00 1.71 0.06 0.00 -0.05 0.00 0.00 56.93 58.65 3i3d s PHE 225 Cb 0.00 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 3i3d s PHE 225 CO 0.00 -0.36 -0.24 -1.01 -0.05 0.00 0.00 175.22 173.56 3i3d s HIS 226 N 0.64 2.39 -0.12 3.49 3.76 -0.25 -4.82 115.29 120.37 3i3d s HIS 226 Ca -0.02 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 3i3d s HIS 226 Cb -0.05 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 32.05 3i3d s HIS 226 CO -0.06 -0.25 -0.14 0.08 -0.85 0.00 0.00 174.74 173.52 3i3d s VAL 227 N -0.05 2.99 0.07 -0.90 1.01 -1.26 -1.43 120.40 120.82 3i3d s VAL 227 Ca -0.06 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3i3d s VAL 227 Cb -0.14 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3i3d s VAL 227 CO 0.04 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.58 3i3d s ALA 228 N 0.25 0.87 -0.11 5.51 0.00 -0.36 -4.83 121.76 123.09 3i3d s ALA 228 Ca -0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 3i3d s ALA 228 Cb -0.16 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3i3d s ALA 228 CO 0.05 0.00 -0.02 0.95 0.00 0.00 0.00 175.76 176.75 3i3d s THR 229 N -1.77 0.63 0.06 0.00 -4.23 -1.26 -0.71 115.64 108.35 3i3d s THR 229 Ca -0.03 -0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 3i3d s THR 229 Cb -0.07 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 3i3d s THR 229 CO 0.00 0.21 0.07 -0.13 -0.54 0.00 0.00 174.62 174.23 3i3d s ARG 230 N 1.86 2.88 0.20 3.99 0.52 -0.72 -4.86 118.95 122.82 3i3d s ARG 230 Ca 0.04 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.62 3i3d s ARG 230 Cb -0.13 -2.73 -0.05 0.00 0.52 0.00 0.00 34.95 32.56 3i3d s ARG 230 CO -0.07 0.58 -0.06 -0.06 0.02 0.00 0.00 175.30 175.71 3i3d s PHE 231 N -1.34 1.49 0.82 -0.53 0.40 -1.26 -1.22 117.98 116.34 3i3d s PHE 231 Ca 0.28 -0.81 -0.08 0.00 -0.60 0.00 0.00 56.93 55.72 3i3d s PHE 231 Cb -0.12 -0.81 0.15 0.00 0.51 0.00 0.00 43.02 42.75 3i3d s PHE 231 CO 0.20 0.07 1.14 0.54 0.70 0.00 0.00 175.22 177.87 3i3d s ASN 232 N -3.26 3.90 0.30 1.36 4.22 -1.01 -4.93 114.94 115.51 3i3d s ASN 232 Ca 0.23 0.04 0.05 0.00 -2.14 0.00 0.00 52.86 51.04 3i3d s ASN 232 Cb 0.04 -0.32 0.71 0.00 1.28 0.00 0.00 41.25 42.95 3i3d s ASN 232 CO 0.06 -2.19 1.77 -2.24 -2.04 0.00 0.00 177.10 172.46 3i3d h ASP 233 N -1.01 0.75 -0.54 3.54 3.04 -2.01 -2.30 116.42 117.88 3i3d h ASP 233 Ca -0.41 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 3i3d h ASP 233 Cb 1.26 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 3i3d h ASP 233 CO 0.43 0.27 0.00 -0.90 -2.04 0.00 0.00 179.24 177.00 3i3d n ASP 234 N -4.78 4.06 -2.24 4.15 5.75 -1.26 -4.95 116.55 117.28 3i3d n ASP 234 Ca 0.22 -2.32 -0.19 0.00 -0.01 0.00 0.00 54.79 52.49 3i3d n ASP 234 Cb 0.55 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 0.87 -0.87 0.98 2.11 3.01 -0.87 -4.84 117.46 117.85 3i3d n PHE 235 Ca 0.22 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.80 3i3d n PHE 235 Cb 0.73 -3.67 0.29 0.00 -0.01 0.00 0.00 39.48 36.81 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 -1.82 0.45 -3.93 4.37 3.41 -1.26 -4.55 113.62 110.29 3i3d n SER 236 Ca -0.22 -0.15 -0.10 0.00 -0.26 0.00 0.00 58.87 58.14 3i3d n SER 236 Cb 0.67 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.68 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 -3.01 0.43 0.08 4.33 0.52 -1.26 0.83 118.95 120.87 3i3d s ARG 237 Ca 0.11 -0.56 -0.14 0.00 -0.52 0.00 0.00 55.73 54.62 3i3d s ARG 237 Cb 0.17 0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.84 3i3d s ARG 237 CO 0.68 -0.09 0.33 0.00 0.02 0.00 0.00 175.30 176.23 3i3d s ALA 238 N -1.67 -0.71 -0.13 2.13 0.00 0.26 -2.41 121.76 119.23 3i3d s ALA 238 Ca -0.13 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3i3d s ALA 238 Cb -0.07 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.54 3i3d s ALA 238 CO -0.01 -0.51 -0.16 0.08 0.00 0.00 0.00 175.76 175.16 3i3d s VAL 239 N -3.18 1.65 -0.19 0.00 1.01 -0.35 0.16 120.40 119.49 3i3d s VAL 239 Ca -0.01 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3i3d s VAL 239 Cb 0.01 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3i3d s VAL 239 CO -0.07 0.47 0.26 -0.22 0.00 0.00 0.00 175.10 175.54 3i3d s LEU 240 N 1.17 4.20 -0.14 3.92 0.20 0.13 -1.75 118.68 126.41 3i3d s LEU 240 Ca -0.02 0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.22 3i3d s LEU 240 Cb -0.14 -2.31 0.01 0.00 -0.43 0.00 0.00 46.19 43.32 3i3d s LEU 240 CO -0.06 0.08 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.17 3i3d s GLU 241 N 0.69 3.07 -0.21 1.98 2.12 0.11 0.04 118.70 126.50 3i3d s GLU 241 Ca 0.14 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.66 3i3d s GLU 241 Cb -0.13 -2.48 0.04 0.00 0.26 0.00 0.00 34.13 31.82 3i3d s GLU 241 CO 0.04 0.00 -0.14 0.00 -0.54 0.00 0.00 175.26 174.62 3i3d s ALA 242 N 0.79 2.25 -0.21 6.30 0.00 0.40 -1.22 121.76 130.06 3i3d s ALA 242 Ca -0.07 -1.35 -0.16 0.00 0.00 0.00 0.00 51.96 50.38 3i3d s ALA 242 Cb -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 3i3d s ALA 242 CO -0.01 -0.76 0.42 -2.00 0.00 0.00 0.00 175.76 173.42 3i3d s GLU 243 N 1.29 4.15 -0.10 0.00 2.12 -0.51 -0.94 118.70 124.71 3i3d s GLU 243 Ca -0.01 0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.58 3i3d s GLU 243 Cb -0.16 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.67 3i3d s GLU 243 CO -0.09 -0.10 -0.23 0.08 -0.54 0.00 0.00 175.26 174.38 3i3d s VAL 244 N 1.51 2.18 0.05 3.70 1.01 0.22 -1.09 120.40 127.97 3i3d s VAL 244 Ca 0.20 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3i3d s VAL 244 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3i3d s VAL 244 CO 0.08 0.56 -0.12 -1.10 0.00 0.00 0.00 175.10 174.52 3i3d s GLN 245 N 0.30 2.25 0.25 2.72 -0.21 0.04 -1.85 119.66 123.16 3i3d s GLN 245 Ca -0.17 -0.91 0.04 0.00 0.02 0.00 0.00 55.36 54.34 3i3d s GLN 245 Cb -0.17 -2.33 -0.05 0.00 1.00 0.00 0.00 33.01 31.45 3i3d s GLN 245 CO 0.08 0.55 -0.01 0.00 -2.12 0.00 0.00 175.29 173.79 3i3d s MET 246 N -1.68 1.43 0.06 2.91 0.23 -0.78 -0.51 119.30 120.96 3i3d s MET 246 Ca 0.18 -1.73 0.02 0.00 -1.03 0.00 0.00 55.69 53.13 3i3d s MET 246 Cb -0.11 -0.80 -0.03 0.00 -1.53 0.00 0.00 34.83 32.36 3i3d s MET 246 CO 0.09 -0.06 -0.08 0.00 -2.03 0.00 0.00 175.02 172.93 3i3d n GLY 248 N 0.96 -0.58 3.72 0.00 0.00 -1.26 -1.32 105.19 106.72 3i3d n GLY 248 Ca -0.19 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.17 3i3d n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3d s GLU 249 N -0.35 4.48 0.07 1.61 2.12 -1.26 -5.01 118.70 120.36 3i3d s GLU 249 Ca 0.00 1.72 -0.28 0.00 0.36 0.00 0.00 54.97 56.77 3i3d s GLU 249 Cb 0.00 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 3i3d s GLU 249 CO 0.00 -0.15 0.88 -0.51 -0.54 0.00 0.00 175.26 174.93 3i3d s LEU 250 N 0.70 4.47 0.01 2.70 1.43 -1.26 -4.99 118.68 121.74 3i3d s LEU 250 Ca 0.56 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 3i3d s LEU 250 Cb -0.29 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 3i3d s LEU 250 CO 0.31 -0.05 -0.05 -0.13 0.23 0.00 0.00 176.35 176.66 3i3d s ARG 251 N 0.06 0.35 0.57 1.70 1.81 -1.26 -5.03 118.95 117.14 3i3d s ARG 251 Ca 0.44 -0.31 0.33 0.00 -1.72 0.00 0.00 55.73 54.46 3i3d s ARG 251 Cb -0.22 -0.26 1.71 0.00 -0.45 0.00 0.00 34.95 35.73 3i3d s ARG 251 CO 0.27 0.06 2.15 -0.44 -0.68 0.00 0.00 175.30 176.66 3i3d h ASP 252 N 5.59 0.00 0.43 0.23 3.32 -1.99 -1.77 116.42 122.22 3i3d h ASP 252 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 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 0.47 0.06 -0.04 0.00 -1.72 0.00 0.00 179.24 178.01 3i3d n TYR 253 N -3.46 0.00 -2.46 4.55 0.18 -1.26 -4.85 117.16 109.86 3i3d n TYR 253 Ca -0.02 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.39 3i3d n TYR 253 Cb 0.19 -0.22 -0.03 0.00 -0.38 0.00 0.00 39.34 38.90 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 -2.47 4.16 0.04 -3.48 1.43 -0.67 -0.10 118.68 117.58 3i3d s LEU 254 Ca 0.31 2.13 -0.07 0.00 -1.03 0.00 0.00 54.13 55.47 3i3d s LEU 254 Cb 0.20 -4.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 3i3d s LEU 254 CO 0.46 -0.55 0.13 -0.13 0.23 0.00 0.00 176.35 176.49 3i3d s ARG 255 N -2.43 0.62 -0.09 1.70 1.81 0.55 -4.19 118.95 116.93 3i3d s ARG 255 Ca 0.58 -0.69 0.03 0.00 -1.72 0.00 0.00 55.73 53.92 3i3d s ARG 255 Cb -0.25 0.25 0.01 0.00 -0.45 0.00 0.00 34.95 34.51 3i3d s ARG 255 CO 0.31 -0.16 -0.16 0.08 -0.68 0.00 0.00 175.30 174.68 3i3d s VAL 256 N -2.52 1.47 -0.09 3.52 1.01 -0.42 -1.17 120.40 122.20 3i3d s VAL 256 Ca -0.06 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3i3d s VAL 256 Cb -0.01 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 3i3d s VAL 256 CO -0.04 0.43 -0.24 -0.89 0.00 0.00 0.00 175.10 174.37 3i3d s THR 257 N 0.67 2.02 -0.15 3.92 2.01 0.17 -1.94 115.64 122.34 3i3d s THR 257 Ca -0.13 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.88 3i3d s THR 257 Cb -0.16 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.62 3i3d s THR 257 CO 0.04 0.55 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 3i3d s VAL 258 N 0.29 2.22 0.01 3.82 1.01 0.03 0.05 120.40 127.82 3i3d s VAL 258 Ca -0.17 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 60.98 3i3d s VAL 258 Cb -0.17 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3i3d s VAL 258 CO 0.08 0.54 -0.25 -0.44 0.00 0.00 0.00 175.10 175.03 3i3d s SER 259 N 0.93 3.24 -0.12 3.32 0.01 -0.46 -1.31 113.70 119.31 3i3d s SER 259 Ca -0.04 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.74 3i3d s SER 259 Cb -0.15 -0.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.68 3i3d s SER 259 CO -0.04 0.29 -0.14 -0.22 0.41 0.00 0.00 173.24 173.54 3i3d s LEU 260 N -0.93 2.66 0.00 2.44 2.96 0.23 -0.48 118.68 125.57 3i3d s LEU 260 Ca 0.11 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 3i3d s LEU 260 Cb -0.10 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3i3d s LEU 260 CO 0.01 0.18 -0.25 0.26 -1.32 0.00 0.00 176.35 175.22 3i3d s TRP 261 N 0.27 2.27 -0.52 5.38 0.52 0.19 -0.95 118.94 126.10 3i3d s TRP 261 Ca -0.10 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 55.61 3i3d s TRP 261 Cb -0.16 -1.42 0.13 0.00 -1.15 0.00 0.00 33.47 30.87 3i3d s TRP 261 CO 0.06 0.02 0.28 -1.14 0.02 0.00 0.00 176.95 176.19 3i3d s GLN 262 N -0.82 2.09 7.15 4.98 2.00 0.67 -0.19 119.66 135.54 3i3d s GLN 262 Ca 0.10 -2.42 0.00 0.00 -2.00 0.00 0.00 55.36 51.04 3i3d s GLN 262 Cb -0.10 -3.46 0.00 0.00 0.80 0.00 0.00 33.01 30.26 3i3d s GLN 262 CO 0.00 -1.10 0.00 0.41 -0.50 0.00 0.00 175.29 174.10 3i3d n GLY 263 N 3.51 1.89 1.16 2.59 0.00 -1.26 -2.06 105.19 111.02 3i3d n GLY 263 Ca 0.05 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 12.57 2.47 -3.81 1.61 -0.58 -1.26 -4.88 120.64 126.77 3i3d n GLU 264 Ca 0.00 -2.27 -0.36 0.00 -0.42 0.00 0.00 57.16 54.11 3i3d n GLU 264 Cb 0.00 -1.51 -0.12 0.00 -0.57 0.00 0.00 31.44 29.24 3i3d n GLU 264 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3i3d s THR 265 N -1.28 4.43 -0.13 2.62 2.01 -0.88 -5.07 115.64 117.35 3i3d s THR 265 Ca 0.42 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 3i3d s THR 265 Cb 0.23 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 3i3d s THR 265 CO 0.30 0.35 1.08 -1.58 -0.69 0.00 0.00 174.62 174.08 3i3d s GLN 266 N 1.41 4.36 -0.02 4.92 0.74 -1.26 -0.24 119.66 129.56 3i3d s GLN 266 Ca 0.05 1.47 0.18 0.00 0.05 0.00 0.00 55.36 57.11 3i3d s GLN 266 Cb -0.15 -3.59 -0.26 0.00 1.10 0.00 0.00 33.01 30.11 3i3d s GLN 266 CO 0.04 -0.45 0.43 1.33 -0.55 0.00 0.00 175.29 176.09 3i3d n VAL 267 N 4.80 0.00 -3.51 1.34 0.24 -0.12 -4.94 118.33 116.14 3i3d n VAL 267 Ca 0.10 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.34 61.87 3i3d n VAL 267 Cb 0.47 0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 33.00 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 -3.15 -1.75 -0.08 2.33 0.00 -1.17 -5.01 121.76 112.93 3i3d s ALA 268 Ca -0.05 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.91 3i3d s ALA 268 Cb 0.12 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.38 3i3d s ALA 268 CO 0.73 -0.42 0.53 0.45 0.00 0.00 0.00 175.76 177.05 3i3d s SER 269 N -1.38 -0.49 -0.15 0.00 0.15 -1.26 -0.60 113.70 109.98 3i3d s SER 269 Ca -0.09 0.64 -0.14 0.00 0.70 0.00 0.00 55.95 57.05 3i3d s SER 269 Cb -0.00 0.64 0.04 0.00 -1.71 0.00 0.00 66.02 64.99 3i3d s SER 269 CO 0.07 -0.44 0.41 -0.83 1.20 0.00 0.00 173.24 173.65 3i3d s GLY 270 N -0.80 -0.30 0.09 9.45 0.00 -0.43 -5.00 107.32 110.33 3i3d s GLY 270 Ca -0.09 1.12 0.05 0.00 0.00 0.00 0.00 44.72 45.81 3i3d s GLY 270 CO 0.06 0.96 -0.14 -1.59 0.00 0.00 0.00 173.10 172.38 3i3d s THR 271 N 0.14 1.19 -0.17 0.90 2.01 -1.26 -0.79 115.64 117.66 3i3d s THR 271 Ca -0.01 -1.49 -0.31 0.00 0.31 0.00 0.00 61.69 60.20 3i3d s THR 271 Cb -0.03 -1.27 0.14 0.00 0.01 0.00 0.00 72.50 71.35 3i3d s THR 271 CO 0.01 -0.32 1.11 0.00 -0.69 0.00 0.00 174.62 174.74 3i3d s ALA 272 N -1.67 -1.99 0.70 7.40 0.00 -0.82 -4.99 121.76 120.39 3i3d s ALA 272 Ca 0.03 1.58 -0.10 0.00 0.00 0.00 0.00 51.96 53.47 3i3d s ALA 272 Cb -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.46 3i3d s ALA 272 CO 0.02 -0.41 1.07 -1.25 0.00 0.00 0.00 175.76 175.20 3i3d s PRO 273 N -1.66 2.71 0.63 0.00 0.04 -1.26 -1.30 135.00 134.16 3i3d s PRO 273 Ca 0.04 0.30 -0.16 0.00 0.04 0.00 0.00 61.00 61.22 3i3d s PRO 273 Cb -0.01 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 3i3d s PRO 273 CO -0.03 -1.07 1.12 -0.06 0.04 0.00 0.00 177.00 177.00 3i3d s PHE 274 N -3.32 2.62 0.00 0.56 0.40 -1.26 -4.86 117.98 112.11 3i3d s PHE 274 Ca 0.58 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 3i3d s PHE 274 Cb -0.11 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.20 3i3d s PHE 274 CO 0.50 -1.69 0.00 0.41 0.70 0.00 0.00 175.22 175.14 3i3d n GLY 275 N -0.29 2.16 3.95 4.36 0.00 0.12 -4.96 105.19 110.53 3i3d n GLY 275 Ca 0.11 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 1.78 0.74 -0.02 0.00 -0.16 -4.81 107.32 104.86 3i3d s GLY 276 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 44.72 43.26 3i3d s GLY 276 CO 0.00 -0.60 1.08 -1.83 0.00 0.00 0.00 173.10 171.75 3i3d s GLU 277 N -5.75 2.48 0.26 2.90 -1.05 -1.26 -4.56 118.70 111.71 3i3d s GLU 277 Ca 0.73 1.14 -0.30 0.00 -0.15 0.00 0.00 54.97 56.39 3i3d s GLU 277 Cb -0.04 -1.93 -0.10 0.00 -0.44 0.00 0.00 34.13 31.63 3i3d s GLU 277 CO 0.51 -1.47 1.46 0.42 0.95 0.00 0.00 175.26 177.14 3i3d s ILE 278 N -2.89 2.57 -0.04 1.83 1.01 -1.26 -4.33 121.20 118.09 3i3d s ILE 278 Ca 0.61 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.77 3i3d s ILE 278 Cb -0.17 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 3i3d s ILE 278 CO 0.54 0.08 0.02 2.30 0.00 0.00 0.00 174.94 177.88 3i3d n ILE 279 N 2.31 0.24 -3.50 2.92 -5.35 -0.07 -4.91 119.36 111.00 3i3d n ILE 279 Ca 0.07 -0.16 -0.02 0.00 -0.27 0.00 0.00 62.75 62.38 3i3d n ILE 279 Cb 0.40 -0.82 -0.00 0.00 -1.74 0.00 0.00 39.64 37.48 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 -2.11 -0.19 0.34 7.28 5.68 -1.02 -5.03 116.55 121.50 3i3d n ASP 280 Ca -0.06 -1.21 0.21 0.00 -0.50 0.00 0.00 54.79 53.22 3i3d n ASP 280 Cb 0.59 0.33 1.10 0.00 -1.14 0.00 0.00 41.12 42.00 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 -0.25 0.11 3.07 -2.05 -1.24 114.58 114.23 3i3d h GLU 281 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3i3d h GLU 281 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3i3d h GLU 281 CO 0.04 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.19 3i3d n ARG 282 N -3.01 2.24 0.00 2.33 5.12 -1.26 -5.06 116.66 117.02 3i3d n ARG 282 Ca -0.03 -1.86 0.00 0.00 -1.93 0.00 0.00 57.85 54.03 3i3d n ARG 282 Cb 0.16 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 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 1.37 0.55 0.00 -0.13 0.00 -0.47 -5.06 105.19 101.46 3i3d n GLY 283 Ca 0.18 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 4.43 3.50 -0.02 0.00 -1.26 -0.90 105.19 110.94 3i3d n GLY 284 Ca 0.00 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.61 2.89 0.13 1.61 1.51 -1.26 -4.89 117.35 115.73 3i3d s TYR 285 Ca 0.00 -0.17 0.31 0.00 -1.01 0.00 0.00 57.07 56.20 3i3d s TYR 285 Cb 0.00 -3.87 1.25 0.00 -0.11 0.00 0.00 41.96 39.23 3i3d s TYR 285 CO 0.00 -1.22 1.94 0.00 -1.11 0.00 0.00 175.55 175.16 3i3d h ALA 286 N 9.19 1.02 -0.55 3.71 0.00 -1.94 -0.34 119.26 130.34 3i3d h ALA 286 Ca -0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3i3d h ALA 286 Cb 1.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3i3d h ALA 286 CO 1.04 0.09 0.06 -0.40 0.00 0.00 0.00 179.25 180.03 3i3d n ASP 287 N -3.20 5.13 -4.10 0.00 5.75 -1.26 -3.31 116.55 115.55 3i3d n ASP 287 Ca 0.00 -2.90 -0.08 0.00 -0.01 0.00 0.00 54.79 51.80 3i3d n ASP 287 Cb 0.34 -0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 39.65 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 -2.63 0.75 -0.12 0.11 0.52 -1.10 -1.87 118.95 114.61 3i3d s ARG 288 Ca 0.49 -1.29 -0.27 0.00 -0.52 0.00 0.00 55.73 54.14 3i3d s ARG 288 Cb 0.38 0.23 0.07 0.00 0.52 0.00 0.00 34.95 36.15 3i3d s ARG 288 CO 0.14 -0.18 0.65 0.54 0.02 0.00 0.00 175.30 176.47 3i3d s VAL 289 N -3.97 0.00 -0.13 3.52 0.11 -0.77 0.16 120.40 119.33 3i3d s VAL 289 Ca 0.14 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 3i3d s VAL 289 Cb 0.08 -0.95 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 3i3d s VAL 289 CO -0.05 -0.02 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.63 3i3d s THR 290 N -0.66 1.74 -0.07 5.04 2.01 -1.26 -0.61 115.64 121.83 3i3d s THR 290 Ca -0.07 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 3i3d s THR 290 Cb -0.02 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3i3d s THR 290 CO 0.06 0.49 0.08 -0.76 -0.69 0.00 0.00 174.62 173.80 3i3d s LEU 291 N 0.96 3.97 -0.10 4.42 2.01 -0.11 -4.94 118.68 124.88 3i3d s LEU 291 Ca -0.06 0.26 0.01 0.00 0.01 0.00 0.00 54.13 54.36 3i3d s LEU 291 Cb -0.15 -2.06 0.02 0.00 0.01 0.00 0.00 46.19 44.01 3i3d s LEU 291 CO -0.03 0.36 -0.13 -0.13 1.01 0.00 0.00 176.35 177.43 3i3d s ARG 292 N -1.20 1.98 -0.05 1.70 0.52 -1.26 -0.45 118.95 120.18 3i3d s ARG 292 Ca 0.17 -0.47 0.06 0.00 -0.52 0.00 0.00 55.73 54.97 3i3d s ARG 292 Cb -0.12 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 3i3d s ARG 292 CO 0.07 -0.10 -0.22 -0.51 0.02 0.00 0.00 175.30 174.55 3i3d s LEU 293 N 1.11 2.24 0.10 2.53 1.43 0.11 -4.93 118.68 121.27 3i3d s LEU 293 Ca -0.05 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 3i3d s LEU 293 Cb -0.14 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 3i3d s LEU 293 CO -0.03 0.28 0.52 0.20 0.23 0.00 0.00 176.35 177.55 3i3d s ASN 294 N -0.34 6.88 -0.15 2.29 0.01 -1.26 0.22 114.94 122.59 3i3d s ASN 294 Ca 0.02 1.10 -0.03 0.00 -0.71 0.00 0.00 52.86 53.23 3i3d s ASN 294 Cb -0.12 -2.30 0.05 0.00 0.41 0.00 0.00 41.25 39.29 3i3d s ASN 294 CO 0.02 0.20 0.05 -0.69 -1.51 0.00 0.00 177.10 175.17 3i3d s VAL 295 N -1.29 0.24 0.03 1.60 1.01 0.12 -4.85 120.40 117.26 3i3d s VAL 295 Ca 0.32 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 3i3d s VAL 295 Cb -0.17 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 3i3d s VAL 295 CO 0.18 -0.11 0.63 -1.61 0.00 0.00 0.00 175.10 174.19 3i3d s GLU 296 N 2.00 4.34 -1.21 2.72 0.41 -1.26 -0.57 118.70 125.12 3i3d s GLU 296 Ca 0.02 0.82 -0.22 0.00 -0.41 0.00 0.00 54.97 55.18 3i3d s GLU 296 Cb -0.15 -3.32 0.01 0.00 -1.78 0.00 0.00 34.13 28.89 3i3d s GLU 296 CO -0.07 0.43 0.68 0.09 -0.49 0.00 0.00 175.26 175.89 3i3d n ASN 297 N 2.45 -4.05 -4.76 -0.19 4.13 0.24 -4.90 115.26 108.19 3i3d n ASN 297 Ca -0.07 -1.11 -0.37 0.00 1.68 0.00 0.00 54.58 54.71 3i3d n ASN 297 Cb 0.51 -2.75 0.02 0.00 -1.54 0.00 0.00 39.78 36.01 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 -6.55 3.27 -0.31 3.52 0.04 -1.26 -4.94 135.00 128.76 3i3d s PRO 298 Ca 0.40 1.89 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 3i3d s PRO 298 Cb -0.17 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3i3d s PRO 298 CO 0.90 -0.99 0.98 0.15 0.04 0.00 0.00 177.00 178.08 3i3d s LYS 299 N -3.04 4.03 0.37 4.56 1.02 -1.26 -5.00 119.74 120.41 3i3d s LYS 299 Ca 0.72 0.91 -0.25 0.00 0.02 0.00 0.00 55.97 57.37 3i3d s LYS 299 Cb -0.32 -3.73 -0.09 0.00 -0.52 0.00 0.00 37.83 33.17 3i3d s LYS 299 CO 0.36 -0.82 1.01 -0.51 -0.92 0.00 0.00 175.35 174.48 3i3d s LEU 300 N 3.40 4.23 0.05 3.17 1.43 -1.26 -4.47 118.68 125.23 3i3d s LEU 300 Ca 0.41 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 3i3d s LEU 300 Cb -0.13 -4.10 -0.06 0.00 0.03 0.00 0.00 46.19 41.93 3i3d s LEU 300 CO 0.14 -0.32 0.41 0.86 0.23 0.00 0.00 176.35 177.67 3i3d s TRP 301 N -1.63 3.64 0.15 0.29 -0.00 -0.24 -4.00 118.94 117.15 3i3d s TRP 301 Ca 0.54 0.89 -0.25 0.00 -0.00 0.00 0.00 56.10 57.29 3i3d s TRP 301 Cb -0.21 -2.23 0.06 0.00 -0.00 0.00 0.00 33.47 31.10 3i3d s TRP 301 CO 0.27 0.56 0.92 -1.54 -0.00 0.00 0.00 176.95 177.16 3i3d s SER 302 N -1.48 -0.21 0.52 5.86 1.04 -0.97 -4.63 113.70 113.83 3i3d s SER 302 Ca 0.30 -0.38 0.32 0.00 0.48 0.00 0.00 55.95 56.67 3i3d s SER 302 Cb -0.15 0.50 1.23 0.00 0.10 0.00 0.00 66.02 67.70 3i3d s SER 302 CO 0.16 -0.92 1.93 0.00 0.98 0.00 0.00 173.24 175.39 3i3d h ALA 303 N 2.00 1.00 0.06 5.32 0.00 -1.91 -2.20 119.26 123.53 3i3d h ALA 303 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 3i3d h ALA 303 Cb 1.23 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 3i3d h ALA 303 CO 0.26 0.00 -0.66 0.93 0.00 0.00 0.00 179.25 179.78 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 -0.44 -0.57 0.00 -1.00 0.00 0.00 59.36 57.34 3i3d h GLU 304 Cb 0.56 0.15 -0.39 0.00 0.50 0.00 0.00 28.75 29.57 3i3d h GLU 304 CO 0.00 1.15 -0.81 0.42 -1.00 0.00 0.00 179.01 178.77 3i3d s ILE 305 N -2.82 0.35 -0.29 3.13 1.01 -1.13 -4.98 121.20 116.47 3i3d s ILE 305 Ca -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 60.65 58.87 3i3d s ILE 305 Cb 0.02 -1.27 -0.10 0.00 0.01 0.00 0.00 42.46 41.13 3i3d s ILE 305 CO 0.82 -0.89 1.99 -0.81 0.00 0.00 0.00 174.94 176.04 3i3d n PRO 306 N 4.29 1.27 -1.73 2.79 -0.04 -0.84 -2.28 135.00 138.46 3i3d n PRO 306 Ca 0.07 -0.79 -0.42 0.00 -0.04 0.00 0.00 63.50 62.31 3i3d n PRO 306 Cb 0.38 -1.98 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 3i3d n PRO 306 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i3d n ASN 307 N 3.34 3.89 -4.01 3.54 3.02 -1.26 -4.87 115.26 118.91 3i3d n ASN 307 Ca 0.27 1.11 -0.14 0.00 -0.03 0.00 0.00 54.58 55.79 3i3d n ASN 307 Cb 0.32 -1.58 -0.13 0.00 -0.61 0.00 0.00 39.78 37.78 3i3d n ASN 307 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i3d s LEU 308 N 0.28 2.14 0.38 3.41 1.43 -1.26 -4.19 118.68 120.88 3i3d s LEU 308 Ca 0.69 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.53 3i3d s LEU 308 Cb -0.51 -0.22 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 3i3d s LEU 308 CO 0.41 -0.08 0.12 -0.31 0.23 0.00 0.00 176.35 176.72 3i3d s TYR 309 N -0.79 2.60 -0.15 0.29 1.51 0.15 -4.67 117.35 116.29 3i3d s TYR 309 Ca -0.04 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 3i3d s TYR 309 Cb -0.06 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 3i3d s TYR 309 CO 0.00 0.31 -0.18 0.50 -1.11 0.00 0.00 175.55 175.07 3i3d s ARG 310 N -3.83 3.13 -0.21 -0.62 6.06 0.73 -0.35 118.95 123.87 3i3d s ARG 310 Ca 0.38 -0.79 -0.06 0.00 -2.50 0.00 0.00 55.73 52.76 3i3d s ARG 310 Cb 0.02 -2.54 -0.03 0.00 0.06 0.00 0.00 34.95 32.46 3i3d s ARG 310 CO 0.21 0.01 0.03 0.00 -2.50 0.00 0.00 175.30 173.05 3i3d s ALA 311 N 0.81 3.12 -0.18 6.12 0.00 -0.72 0.54 121.76 131.45 3i3d s ALA 311 Ca -0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 3i3d s ALA 311 Cb -0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 3i3d s ALA 311 CO -0.01 -0.16 -0.10 0.08 0.00 0.00 0.00 175.76 175.57 3i3d s VAL 312 N 1.02 3.05 -0.34 0.00 1.01 0.37 -2.20 120.40 123.30 3i3d s VAL 312 Ca 0.03 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 3i3d s VAL 312 Cb -0.14 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.92 3i3d s VAL 312 CO 0.02 0.48 0.17 -0.69 0.00 0.00 0.00 175.10 175.08 3i3d s VAL 313 N 1.03 4.41 -0.19 2.92 1.01 0.66 -1.35 120.40 128.90 3i3d s VAL 313 Ca -0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 3i3d s VAL 313 Cb -0.15 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3i3d s VAL 313 CO -0.02 -0.11 0.03 -1.61 0.00 0.00 0.00 175.10 173.39 3i3d s GLU 314 N 1.54 3.80 -0.28 2.72 2.02 0.11 -1.28 118.70 127.33 3i3d s GLU 314 Ca 0.02 -0.44 -0.10 0.00 0.02 0.00 0.00 54.97 54.48 3i3d s GLU 314 Cb -0.18 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3i3d s GLU 314 CO 0.06 0.16 0.14 -1.17 0.02 0.00 0.00 175.26 174.46 3i3d s LEU 315 N 0.65 3.87 0.00 1.80 2.96 -0.30 -0.65 118.68 127.01 3i3d s LEU 315 Ca 0.01 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3i3d s LEU 315 Cb -0.14 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.54 3i3d s LEU 315 CO 0.02 -0.09 0.46 0.00 -1.32 0.00 0.00 176.35 175.42 3i3d n HIS 316 N 5.00 -1.39 -3.66 5.38 1.44 -0.32 -0.15 115.22 121.52 3i3d n HIS 316 Ca -0.15 -2.27 -0.20 0.00 -2.01 0.00 0.00 57.72 53.09 3i3d n HIS 316 Cb 0.51 0.52 -0.01 0.00 0.12 0.00 0.00 29.99 31.13 3i3d n HIS 316 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3i3d s THR 317 N -2.82 4.55 0.35 0.61 -4.23 -0.41 -0.33 115.64 113.36 3i3d s THR 317 Ca 0.28 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 3i3d s THR 317 Cb -0.01 -3.59 0.29 0.00 1.34 0.00 0.00 72.50 70.53 3i3d s THR 317 CO 0.20 -0.23 1.95 0.00 -0.54 0.00 0.00 174.62 176.00 3i3d h ALA 318 N 1.00 1.68 0.00 3.99 0.00 -0.82 -0.70 119.26 124.40 3i3d h ALA 318 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i3d h ALA 318 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i3d h ALA 318 CO 0.56 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 3i3d n ASP 319 N -4.48 0.00 0.00 0.00 5.68 -1.26 -4.85 116.55 111.63 3i3d n ASP 319 Ca 0.11 -0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 3i3d n ASP 319 Cb 0.24 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3i3d n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i3d n GLY 320 N 0.15 0.89 3.63 6.12 0.00 -0.27 -5.06 105.19 110.65 3i3d n GLY 320 Ca 0.11 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 4.88 0.15 2.61 2.01 -1.25 -4.86 115.64 117.18 3i3d s THR 321 Ca 0.00 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 3i3d s THR 321 Cb 0.00 -4.05 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 3i3d s THR 321 CO 0.00 -0.09 1.24 -0.22 -0.69 0.00 0.00 174.62 174.86 3i3d s LEU 322 N 2.74 4.41 -0.25 4.42 2.96 -1.26 -1.29 118.68 130.42 3i3d s LEU 322 Ca 0.30 2.21 -0.17 0.00 -0.22 0.00 0.00 54.13 56.26 3i3d s LEU 322 Cb -0.15 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.81 3i3d s LEU 322 CO 0.09 -0.45 -0.16 -0.38 -1.32 0.00 0.00 176.35 174.13 3i3d n ILE 323 N 3.07 1.53 -3.56 6.68 5.41 0.79 -4.96 119.36 128.32 3i3d n ILE 323 Ca 0.07 -0.22 -0.08 0.00 1.00 0.00 0.00 62.75 63.52 3i3d n ILE 323 Cb 0.44 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 37.38 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 -2.47 0.98 0.01 0.38 -1.05 -1.01 -4.88 118.70 110.66 3i3d s GLU 324 Ca -0.34 -0.41 0.01 0.00 -0.15 0.00 0.00 54.97 54.08 3i3d s GLU 324 Cb 0.11 0.41 -0.01 0.00 -0.44 0.00 0.00 34.13 34.20 3i3d s GLU 324 CO 0.51 -0.43 -0.04 0.00 0.95 0.00 0.00 175.26 176.25 3i3d s ALA 325 N -3.25 0.31 0.23 -0.84 0.00 0.15 -1.15 121.76 117.22 3i3d s ALA 325 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3i3d s ALA 325 Cb -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3i3d s ALA 325 CO -0.07 0.02 -0.00 -1.21 0.00 0.00 0.00 175.76 174.50 3i3d s GLU 326 N -0.56 1.32 0.23 0.00 0.41 -0.40 -1.60 118.70 118.11 3i3d s GLU 326 Ca -0.03 -1.67 -0.22 0.00 -0.41 0.00 0.00 54.97 52.64 3i3d s GLU 326 Cb -0.04 -0.59 0.06 0.00 -1.78 0.00 0.00 34.13 31.78 3i3d s GLU 326 CO -0.00 -0.10 0.91 0.00 -0.49 0.00 0.00 175.26 175.58 3i3d s ALA 327 N -3.44 -1.39 0.04 5.21 0.00 -1.26 -0.24 121.76 120.68 3i3d s ALA 327 Ca 0.28 -0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.73 3i3d s ALA 327 Cb 0.06 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.98 3i3d s ALA 327 CO 0.08 -1.04 0.83 0.00 0.00 0.00 0.00 175.76 175.63 3i3d s ASP 329 N -2.57 7.38 -0.08 0.00 1.01 -1.26 -1.75 116.67 119.40 3i3d s ASP 329 Ca 0.05 1.78 0.04 0.00 0.71 0.00 0.00 52.55 55.12 3i3d s ASP 329 Cb -0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3i3d s ASP 329 CO -0.09 0.04 -0.21 -0.69 0.21 0.00 0.00 175.17 174.43 3i3d s VAL 330 N -1.44 1.79 -0.24 -1.27 1.01 0.53 -4.72 120.40 116.05 3i3d s VAL 330 Ca 0.45 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 3i3d s VAL 330 Cb -0.21 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.65 3i3d s VAL 330 CO 0.26 0.50 -0.09 -0.83 0.00 0.00 0.00 175.10 174.94 3i3d s GLY 331 N 0.35 1.60 -0.67 4.51 0.00 -1.26 -0.67 107.32 111.18 3i3d s GLY 331 Ca -0.15 -1.50 -0.27 0.00 0.00 0.00 0.00 44.72 42.80 3i3d s GLY 331 CO 0.07 0.51 1.52 -1.36 0.00 0.00 0.00 173.10 173.83 3i3d s PHE 332 N 1.27 2.04 0.01 1.90 0.40 -1.26 -4.79 117.98 117.55 3i3d s PHE 332 Ca -0.01 0.34 -0.20 0.00 -0.60 0.00 0.00 56.93 56.46 3i3d s PHE 332 Cb -0.17 -4.39 0.04 0.00 0.51 0.00 0.00 43.02 39.01 3i3d s PHE 332 CO -0.06 -2.16 0.44 -0.98 0.70 0.00 0.00 175.22 173.16 3i3d s ARG 333 N 6.20 0.89 -0.12 0.44 3.03 -1.26 -1.08 118.95 127.05 3i3d s ARG 333 Ca 0.50 -0.20 0.02 0.00 2.03 0.00 0.00 55.73 58.08 3i3d s ARG 333 Cb -0.10 0.40 -0.00 0.00 -1.03 0.00 0.00 34.95 34.22 3i3d s ARG 333 CO 0.19 -0.29 -0.20 -2.00 -1.13 0.00 0.00 175.30 171.87 3i3d s GLU 334 N -1.95 3.16 -0.18 3.89 2.12 -1.26 -4.89 118.70 119.59 3i3d s GLU 334 Ca -0.08 -0.81 -0.02 0.00 0.36 0.00 0.00 54.97 54.42 3i3d s GLU 334 Cb -0.02 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 3i3d s GLU 334 CO 0.02 0.16 -0.10 0.08 -0.54 0.00 0.00 175.26 174.88 3i3d s VAL 335 N 0.42 3.09 0.00 3.70 1.01 -1.26 -0.53 120.40 126.84 3i3d s VAL 335 Ca -0.15 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 3i3d s VAL 335 Cb -0.17 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 33.93 3i3d s VAL 335 CO 0.06 0.48 0.67 0.00 0.00 0.00 0.00 175.10 176.31 3i3d s ARG 336 N 0.99 1.11 -0.22 2.72 1.70 -0.77 -4.60 118.95 119.87 3i3d s ARG 336 Ca -0.01 0.05 -0.06 0.00 -0.47 0.00 0.00 55.73 55.24 3i3d s ARG 336 Cb -0.15 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 3i3d s ARG 336 CO -0.01 -0.39 0.04 0.42 -1.08 0.00 0.00 175.30 174.28 3i3d s ILE 337 N -1.91 4.23 -0.02 4.99 1.01 -1.26 0.50 121.20 128.74 3i3d s ILE 337 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3i3d s ILE 337 Cb -0.00 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.55 3i3d s ILE 337 CO 0.03 0.39 -0.00 -0.70 0.00 0.00 0.00 174.94 174.66 3i3d s GLU 338 N 1.19 0.26 -1.38 2.79 2.12 0.14 -4.83 118.70 118.99 3i3d s GLU 338 Ca 0.04 0.06 -0.06 0.00 0.36 0.00 0.00 54.97 55.37 3i3d s GLU 338 Cb -0.14 -0.42 0.03 0.00 0.26 0.00 0.00 34.13 33.86 3i3d s GLU 338 CO 0.03 -0.11 0.45 -1.71 -0.54 0.00 0.00 175.26 173.38 3i3d n ASN 339 N 3.98 -4.78 0.00 -1.70 5.15 -1.26 -1.27 115.26 115.39 3i3d n ASN 339 Ca -0.25 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.47 3i3d n ASN 339 Cb 0.51 -3.92 0.00 0.00 -0.53 0.00 0.00 39.78 35.85 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 -1.26 0.71 3.28 8.20 0.00 -1.25 -5.05 105.19 109.82 3i3d n GLY 340 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 2.05 -0.29 0.99 1.43 -0.40 -2.80 118.68 119.66 3i3d s LEU 341 Ca 0.00 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.38 3i3d s LEU 341 Cb 0.00 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.95 3i3d s LEU 341 CO 0.00 0.29 0.92 -0.22 0.23 0.00 0.00 176.35 177.57 3i3d s LEU 342 N -0.49 4.04 0.05 1.79 2.96 -1.26 -0.68 118.68 125.09 3i3d s LEU 342 Ca 0.07 0.96 0.06 0.00 -0.22 0.00 0.00 54.13 54.99 3i3d s LEU 342 Cb -0.10 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3i3d s LEU 342 CO -0.00 -0.69 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.46 3i3d s LEU 343 N 3.20 2.94 -0.16 -0.68 1.43 0.18 -2.26 118.68 123.33 3i3d s LEU 343 Ca 0.39 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3i3d s LEU 343 Cb -0.14 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.38 3i3d s LEU 343 CO 0.11 0.24 -0.13 -0.22 0.23 0.00 0.00 176.35 176.58 3i3d s LEU 344 N -1.66 1.77 -1.52 1.79 2.96 0.64 -1.84 118.68 120.82 3i3d s LEU 344 Ca 0.18 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.42 3i3d s LEU 344 Cb -0.11 -1.18 0.08 0.00 0.50 0.00 0.00 46.19 45.48 3i3d s LEU 344 CO 0.09 -0.07 0.87 0.59 -1.32 0.00 0.00 176.35 176.50 3i3d n ASN 345 N 4.76 -3.67 0.00 3.68 3.02 0.32 -1.48 115.26 121.88 3i3d n ASN 345 Ca -0.16 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3i3d n ASN 345 Cb 0.49 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.65 1.74 3.60 7.41 0.00 -1.26 -5.02 105.19 110.01 3i3d n GLY 346 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.02 2.51 -0.17 1.61 -0.14 -0.55 -5.00 119.74 117.98 3i3d s LYS 347 Ca 0.00 -0.76 -0.29 0.00 -1.36 0.00 0.00 55.97 53.55 3i3d s LYS 347 Cb 0.00 -2.49 -0.02 0.00 -1.68 0.00 0.00 37.83 33.65 3i3d s LYS 347 CO 0.00 0.59 1.30 -1.25 -0.76 0.00 0.00 175.35 175.23 3i3d s PRO 348 N -1.59 4.19 0.58 -1.68 0.04 -1.26 -0.26 135.00 135.01 3i3d s PRO 348 Ca 0.18 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 3i3d s PRO 348 Cb -0.11 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 3i3d s PRO 348 CO 0.09 -0.77 1.06 -0.51 0.04 0.00 0.00 177.00 176.91 3i3d s LEU 349 N 3.66 3.54 -0.31 -3.56 1.43 -0.96 -4.96 118.68 117.52 3i3d s LEU 349 Ca 0.56 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 3i3d s LEU 349 Cb -0.22 -4.54 0.10 0.00 0.03 0.00 0.00 46.19 41.56 3i3d s LEU 349 CO 0.17 -1.14 0.08 -0.22 0.23 0.00 0.00 176.35 175.47 3i3d s LEU 350 N -4.38 2.75 -0.40 1.79 2.96 -1.26 -4.77 118.68 115.37 3i3d s LEU 350 Ca 0.64 -1.70 -0.28 0.00 -0.22 0.00 0.00 54.13 52.57 3i3d s LEU 350 Cb -0.16 -1.03 -0.00 0.00 0.50 0.00 0.00 46.19 45.50 3i3d s LEU 350 CO 0.35 -0.40 1.55 -0.63 -1.32 0.00 0.00 176.35 175.91 3i3d s ILE 351 N 1.47 3.74 -1.02 6.68 -1.09 0.47 -4.92 121.20 126.52 3i3d s ILE 351 Ca 0.09 0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 59.20 3i3d s ILE 351 Cb -0.18 -4.03 0.28 0.00 -1.58 0.00 0.00 42.46 36.96 3i3d s ILE 351 CO -0.20 -0.68 1.18 0.54 -1.23 0.00 0.00 174.94 174.55 3i3d n ARG 352 N 8.27 3.69 -3.64 2.79 1.74 -1.26 -2.18 116.66 126.07 3i3d n ARG 352 Ca 0.18 -4.53 -0.23 0.00 -0.77 0.00 0.00 57.85 52.51 3i3d n ARG 352 Cb 0.48 -2.48 -0.01 0.00 -1.02 0.00 0.00 32.46 29.43 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 -0.61 2.18 -0.07 -0.13 0.00 -0.59 -0.58 107.32 107.53 3i3d s GLY 353 Ca 0.31 -1.69 -0.18 0.00 0.00 0.00 0.00 44.72 43.16 3i3d s GLY 353 CO -0.00 -1.80 0.43 0.54 0.00 0.00 0.00 173.10 172.27 3i3d s VAL 354 N -2.62 0.03 0.04 1.40 0.11 -0.90 -1.18 120.40 117.29 3i3d s VAL 354 Ca 0.44 -0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 3i3d s VAL 354 Cb -0.03 -0.70 -0.06 0.00 -1.53 0.00 0.00 36.38 34.06 3i3d s VAL 354 CO 0.27 -0.13 0.72 0.20 -3.33 0.00 0.00 175.10 172.83 3i3d s ASN 355 N -0.81 7.17 -0.12 3.54 0.01 0.39 -1.51 114.94 123.60 3i3d s ASN 355 Ca -0.09 1.39 -0.01 0.00 -0.71 0.00 0.00 52.86 53.44 3i3d s ASN 355 Cb -0.04 -2.44 0.04 0.00 0.41 0.00 0.00 41.25 39.22 3i3d s ASN 355 CO 0.04 0.06 -0.01 -0.60 -1.51 0.00 0.00 177.10 175.08 3i3d s ARG 356 N -0.20 0.87 0.41 -0.60 3.52 -0.95 -0.40 118.95 121.59 3i3d s ARG 356 Ca 0.36 -0.16 -0.09 0.00 -0.13 0.00 0.00 55.73 55.71 3i3d s ARG 356 Cb -0.20 -1.48 -0.06 0.00 -1.56 0.00 0.00 34.95 31.65 3i3d s ARG 356 CO 0.22 -0.40 0.76 -1.01 -0.81 0.00 0.00 175.30 174.06 3i3d s HIS 357 N 1.86 3.48 -0.67 5.12 3.76 -1.26 -3.91 115.29 123.68 3i3d s HIS 357 Ca 0.03 0.99 -0.21 0.00 -0.15 0.00 0.00 55.06 55.72 3i3d s HIS 357 Cb -0.14 -2.41 0.09 0.00 1.11 0.00 0.00 32.58 31.23 3i3d s HIS 357 CO -0.07 -0.12 0.91 -1.21 -0.85 0.00 0.00 174.74 173.40 3i3d s GLU 358 N -3.95 3.14 -0.00 1.40 2.02 -1.26 -4.92 118.70 115.12 3i3d s GLU 358 Ca 0.50 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.44 3i3d s GLU 358 Cb -0.10 -4.30 -0.00 0.00 0.10 0.00 0.00 34.13 29.83 3i3d s GLU 358 CO 0.33 -1.74 -0.01 -1.58 0.02 0.00 0.00 175.26 172.28 3i3d s HIS 359 N 3.56 0.12 -0.04 1.61 2.46 -1.26 -4.53 115.29 117.20 3i3d s HIS 359 Ca 0.20 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.70 3i3d s HIS 359 Cb -0.18 -0.08 0.03 0.00 -0.13 0.00 0.00 32.58 32.22 3i3d s HIS 359 CO 0.07 -0.00 0.00 -1.58 -2.47 0.00 0.00 174.74 170.76 3i3d s HIS 360 N -0.05 0.39 0.56 3.88 5.04 0.13 -5.01 115.29 120.24 3i3d s HIS 360 Ca 0.00 -0.02 0.25 0.00 -1.54 0.00 0.00 55.06 53.75 3i3d s HIS 360 Cb -0.01 -0.50 1.59 0.00 0.04 0.00 0.00 32.58 33.70 3i3d s HIS 360 CO -0.00 -0.17 2.17 -1.00 -2.34 0.00 0.00 174.74 173.40 3i3d h PRO 361 N 7.50 0.00 0.01 2.88 0.13 -1.79 0.80 132.00 141.53 3i3d h PRO 361 Ca -0.36 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.37 3i3d h PRO 361 Cb 1.13 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 3i3d h PRO 361 CO 0.41 0.00 -2.26 1.28 -0.23 0.00 0.00 178.00 177.21 3i3d n LEU 362 N -4.08 2.22 -0.91 1.56 4.77 -1.26 -2.27 117.00 117.02 3i3d n LEU 362 Ca -0.01 0.24 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 3i3d n LEU 362 Cb 0.18 -0.89 0.25 0.00 -2.33 0.00 0.00 43.42 40.63 3i3d n LEU 362 CO 0.30 0.63 0.71 1.41 -1.33 0.00 0.00 177.39 179.10 3i3d n HIS 363 N -4.00 0.59 0.00 -1.77 8.25 -1.21 -4.95 115.22 112.13 3i3d n HIS 363 Ca -0.47 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 3i3d n HIS 363 Cb 0.89 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.00 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 1.31 1.36 0.80 -1.41 0.00 0.27 -2.56 105.19 104.96 3i3d n GLY 364 Ca 0.17 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 2.95 -2.88 1.61 6.02 -1.26 0.19 117.38 124.01 3i3d n GLN 365 Ca 0.00 -2.35 -0.41 0.00 -0.01 0.00 0.00 57.00 54.23 3i3d n GLN 365 Cb 0.00 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.74 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 -1.57 4.88 0.00 5.09 1.01 -1.06 -4.84 120.40 123.91 3i3d s VAL 366 Ca 0.31 1.65 -0.04 0.00 0.00 0.00 0.00 61.98 63.90 3i3d s VAL 366 Cb 0.20 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3i3d s VAL 366 CO 0.15 0.03 0.22 -0.04 0.00 0.00 0.00 175.10 175.46 3i3d s MET 367 N 2.10 3.50 0.11 2.72 -1.94 -1.26 -4.74 119.30 119.78 3i3d s MET 367 Ca 0.39 -0.22 0.04 0.00 -1.71 0.00 0.00 55.69 54.19 3i3d s MET 367 Cb -0.17 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 3i3d s MET 367 CO 0.13 0.66 -0.11 0.16 -0.01 0.00 0.00 175.02 175.84 3i3d s ASP 368 N -1.88 1.60 0.19 3.03 -4.77 -1.26 -5.02 116.67 108.55 3i3d s ASP 368 Ca 0.28 -0.82 -0.13 0.00 -3.30 0.00 0.00 52.55 48.58 3i3d s ASP 368 Cb -0.13 -0.01 0.18 0.00 -1.09 0.00 0.00 42.92 41.88 3i3d s ASP 368 CO 0.18 -0.24 1.73 -0.08 0.70 0.00 0.00 175.17 177.46 3i3d h GLU 369 N 3.51 0.27 -0.48 2.11 4.81 -1.99 -2.00 114.58 120.80 3i3d h GLU 369 Ca -0.38 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 3i3d h GLU 369 Cb 1.19 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3i3d h GLU 369 CO 0.53 0.18 0.29 0.37 -0.73 0.00 0.00 179.01 179.65 3i3d h GLN 370 N 0.28 0.57 -0.67 1.92 4.15 -1.99 -0.13 115.11 119.24 3i3d h GLN 370 Ca 0.25 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 3i3d h GLN 370 Cb 0.31 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 3i3d h GLN 370 CO -0.30 0.38 0.17 1.15 -1.93 0.00 0.00 178.83 178.31 3i3d h THR 371 N 0.59 1.26 -0.51 2.39 2.02 -1.93 -0.79 112.91 115.94 3i3d h THR 371 Ca 0.19 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 3i3d h THR 371 Cb -0.00 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3i3d h THR 371 CO -0.08 0.36 0.25 0.24 0.37 0.00 0.00 175.52 176.66 3i3d h MET 372 N 1.00 0.74 -0.40 6.66 2.86 -0.96 -1.41 114.93 123.42 3i3d h MET 372 Ca 0.21 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3i3d h MET 372 Cb 0.36 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3i3d h MET 372 CO 0.00 0.61 0.13 0.28 1.06 0.00 0.00 176.91 179.00 3i3d h VAL 373 N 0.69 1.21 -0.93 -2.22 2.07 -0.80 -1.47 116.25 114.79 3i3d h VAL 373 Ca 0.18 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 67.07 3i3d h VAL 373 Cb 0.11 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3i3d h VAL 373 CO -0.02 0.24 0.59 -0.61 0.02 0.00 0.00 177.57 177.79 3i3d h GLN 374 N 0.51 1.05 0.01 1.57 4.15 -0.92 -0.04 115.11 121.44 3i3d h GLN 374 Ca 0.13 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 3i3d h GLN 374 Cb 0.24 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3i3d h GLN 374 CO -0.01 0.70 -0.00 -0.44 -1.93 0.00 0.00 178.83 177.15 3i3d h ASP 375 N 1.08 -0.01 -0.59 -0.69 3.32 -0.91 -2.00 116.42 116.62 3i3d h ASP 375 Ca 0.40 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3i3d h ASP 375 Cb 0.15 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3i3d h ASP 375 CO -0.17 0.27 0.34 0.40 -1.72 0.00 0.00 179.24 178.36 3i3d h ILE 376 N -0.28 1.00 -0.34 0.35 2.04 -0.83 0.74 117.51 120.18 3i3d h ILE 376 Ca -0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3i3d h ILE 376 Cb 0.28 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3i3d h ILE 376 CO 0.00 0.12 0.14 -0.07 0.00 0.00 0.00 178.15 178.34 3i3d h LEU 377 N 0.64 0.47 -0.97 1.44 3.38 -0.98 -1.15 115.31 118.15 3i3d h LEU 377 Ca 0.26 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3i3d h LEU 377 Cb 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3i3d h LEU 377 CO -0.14 0.50 0.15 -0.07 0.09 0.00 0.00 178.44 178.97 3i3d h LEU 378 N 0.41 0.84 0.33 1.67 3.38 -1.02 0.12 115.31 121.04 3i3d h LEU 378 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3i3d h LEU 378 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3i3d h LEU 378 CO -0.01 0.82 -0.16 0.24 0.09 0.00 0.00 178.44 179.42 3i3d h MET 379 N 0.87 -0.42 -0.46 1.13 2.86 -0.58 -2.02 114.93 116.30 3i3d h MET 379 Ca 0.19 0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.79 3i3d h MET 379 Cb 0.30 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3i3d h MET 379 CO -0.00 -0.19 -0.00 0.87 1.06 0.00 0.00 176.91 178.64 3i3d h LYS 380 N -0.58 0.75 0.00 1.72 1.57 -1.09 -1.34 116.57 117.60 3i3d h LYS 380 Ca -0.04 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3i3d h LYS 380 Cb 0.43 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3i3d h LYS 380 CO 0.07 0.77 -0.01 1.96 -0.57 0.00 0.00 179.45 181.67 3i3d h GLN 381 N 0.70 0.00 -0.50 3.15 4.20 -0.70 -2.28 115.11 119.68 3i3d h GLN 381 Ca 0.14 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.59 3i3d h GLN 381 Cb 0.44 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.06 3i3d h GLN 381 CO 0.02 0.01 0.08 0.09 -0.67 0.00 0.00 178.83 178.36 3i3d n ASN 382 N -3.13 2.75 -2.68 1.46 3.02 -0.62 -4.95 115.26 111.11 3i3d n ASN 382 Ca -0.01 -3.75 -0.20 0.00 -0.03 0.00 0.00 54.58 50.59 3i3d n ASN 382 Cb 0.21 -0.68 0.01 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.13 -5.55 -4.88 6.41 3.02 -0.86 -3.99 115.26 108.29 3i3d n ASN 383 Ca 0.39 -0.10 -0.33 0.00 -0.03 0.00 0.00 54.58 54.51 3i3d n ASN 383 Cb 1.19 -4.58 -0.05 0.00 -0.61 0.00 0.00 39.78 35.73 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 3.51 -0.01 3.10 0.40 -0.60 -4.83 117.98 116.54 3i3d s PHE 384 Ca 0.13 0.74 0.01 0.00 -0.60 0.00 0.00 56.93 57.21 3i3d s PHE 384 Cb -0.06 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.34 3i3d s PHE 384 CO 0.16 0.43 0.71 0.27 0.70 0.00 0.00 175.22 177.49 3i3d n ASN 385 N 0.41 0.67 -3.64 1.36 0.23 0.26 -4.24 115.26 110.31 3i3d n ASN 385 Ca -0.04 -1.45 -0.15 0.00 -0.53 0.00 0.00 54.58 52.41 3i3d n ASN 385 Cb 0.52 -0.03 -0.07 0.00 -2.08 0.00 0.00 39.78 38.12 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 -0.40 -1.21 -0.04 -2.53 0.00 -1.16 -0.67 121.76 115.75 3i3d s ALA 386 Ca 0.01 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 3i3d s ALA 386 Cb 0.01 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.28 3i3d s ALA 386 CO 0.00 -0.36 0.10 0.54 0.00 0.00 0.00 175.76 176.03 3i3d s VAL 387 N -1.65 0.00 -0.16 0.00 0.11 0.37 -2.11 120.40 116.96 3i3d s VAL 387 Ca -0.10 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 3i3d s VAL 387 Cb -0.02 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 3i3d s VAL 387 CO 0.04 -0.01 0.00 -0.60 -3.33 0.00 0.00 175.10 171.20 3i3d s ARG 388 N 0.02 3.78 -1.43 1.54 3.52 -0.57 -1.69 118.95 124.12 3i3d s ARG 388 Ca -0.00 -0.45 -0.14 0.00 -0.13 0.00 0.00 55.73 55.00 3i3d s ARG 388 Cb -0.01 -3.02 0.03 0.00 -1.56 0.00 0.00 34.95 30.39 3i3d s ARG 388 CO 0.00 0.26 2.21 0.00 -0.81 0.00 0.00 175.30 176.96 3i3d s SER 390 N 3.31 6.49 -0.38 0.00 1.04 -1.25 -0.74 113.70 122.16 3i3d s SER 390 Ca 0.48 1.39 0.10 0.00 0.48 0.00 0.00 55.95 58.40 3i3d s SER 390 Cb 0.14 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 64.03 3i3d s SER 390 CO -0.08 -1.21 0.65 1.41 0.98 0.00 0.00 173.24 174.99 3i3d n HIS 391 N 8.17 0.04 -3.61 5.02 -0.00 -1.26 -4.25 115.22 119.34 3i3d n HIS 391 Ca 0.17 -3.72 -0.02 0.00 -0.00 0.00 0.00 57.72 54.15 3i3d n HIS 391 Cb 0.46 -0.39 -0.02 0.00 -0.00 0.00 0.00 29.99 30.04 3i3d n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3i3d s TYR 392 N -1.92 -0.08 0.38 4.41 -0.85 0.09 -4.17 117.35 115.20 3i3d s TYR 392 Ca 0.38 0.03 -0.28 0.00 -0.52 0.00 0.00 57.07 56.68 3i3d s TYR 392 Cb 0.27 0.52 -0.10 0.00 0.38 0.00 0.00 41.96 43.03 3i3d s TYR 392 CO -0.09 -0.19 1.42 -2.14 -1.52 0.00 0.00 175.55 173.03 3i3d s PRO 393 N -2.35 4.11 0.66 -3.49 0.02 -0.85 -4.53 135.00 128.57 3i3d s PRO 393 Ca 0.11 2.42 -0.02 0.00 0.02 0.00 0.00 61.00 63.54 3i3d s PRO 393 Cb 0.01 -2.94 0.08 0.00 0.02 0.00 0.00 34.50 31.67 3i3d s PRO 393 CO -0.04 -0.47 0.92 -0.80 -0.33 0.00 0.00 177.00 176.28 3i3d s ASN 394 N -0.33 4.77 0.22 2.53 -0.87 -1.26 -4.82 114.94 115.17 3i3d s ASN 394 Ca 0.53 -0.05 -0.32 0.00 -1.57 0.00 0.00 52.86 51.45 3i3d s ASN 394 Cb -0.44 -0.57 -0.14 0.00 -0.02 0.00 0.00 41.25 40.09 3i3d s ASN 394 CO 0.58 -1.55 1.42 1.57 -2.57 0.00 0.00 177.10 176.56 3i3d n HIS 395 N -2.68 2.13 -0.32 2.20 -0.00 -1.26 -4.85 115.22 110.45 3i3d n HIS 395 Ca 0.11 0.42 0.26 0.00 -0.00 0.00 0.00 57.72 58.51 3i3d n HIS 395 Cb 0.60 -2.46 0.58 0.00 -0.00 0.00 0.00 29.99 28.71 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 4.47 0.26 -0.02 1.57 0.13 -1.95 -1.00 132.00 135.46 3i3d h PRO 396 Ca -0.45 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3i3d h PRO 396 Cb 1.28 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i3d h PRO 396 CO 0.78 0.17 -0.13 1.25 -0.23 0.00 0.00 178.00 179.84 3i3d h LEU 397 N 0.27 0.02 -0.77 1.56 5.85 -2.01 -2.97 115.31 117.26 3i3d h LEU 397 Ca 0.58 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.42 3i3d h LEU 397 Cb 1.73 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.67 3i3d h LEU 397 CO -0.21 0.16 0.38 -0.25 -0.34 0.00 0.00 178.44 178.18 3i3d h TRP 398 N 0.02 0.68 -0.30 1.25 2.91 -1.53 -1.51 115.95 117.48 3i3d h TRP 398 Ca 0.00 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 59.93 3i3d h TRP 398 Cb 0.25 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.70 3i3d h TRP 398 CO 0.00 0.20 -0.34 1.88 -1.03 0.00 0.00 178.44 179.15 3i3d h TYR 399 N 0.60 0.77 -0.75 2.65 -1.99 -1.69 -1.58 116.97 114.98 3i3d h TYR 399 Ca 0.40 -0.20 -0.05 0.00 2.00 0.00 0.00 58.73 60.87 3i3d h TYR 399 Cb 0.49 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 39.02 3i3d h TYR 399 CO -0.11 0.91 0.26 1.15 -0.00 0.00 0.00 178.16 180.37 3i3d h THR 400 N 0.55 1.26 -0.37 -2.88 2.02 -1.43 0.11 112.91 112.17 3i3d h THR 400 Ca 0.06 -0.86 -0.14 0.00 0.77 0.00 0.00 66.41 66.23 3i3d h THR 400 Cb 0.85 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3i3d h THR 400 CO 0.07 0.35 -0.32 -0.07 0.37 0.00 0.00 175.52 175.92 3i3d h LEU 401 N 1.11 0.92 -1.08 2.58 3.38 -1.07 -2.07 115.31 119.08 3i3d h LEU 401 Ca 0.25 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3i3d h LEU 401 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i3d h LEU 401 CO -0.01 1.18 -0.21 0.00 0.09 0.00 0.00 178.44 179.49 3i3d h ASP 403 N 0.36 0.33 0.20 0.00 3.32 -0.80 0.30 116.42 120.13 3i3d h ASP 403 Ca 0.06 -0.16 -0.32 0.00 0.02 0.00 0.00 57.03 56.63 3i3d h ASP 403 Cb 0.58 -0.09 0.04 0.00 0.22 0.00 0.00 39.33 40.08 3i3d h ASP 403 CO 0.04 0.40 -1.38 0.03 -1.72 0.00 0.00 179.24 176.61 3i3d h ARG 404 N 0.24 0.59 0.00 3.56 3.08 -1.07 -3.33 114.38 117.45 3i3d h ARG 404 Ca 0.08 -0.90 -0.15 0.00 0.07 0.00 0.00 59.98 59.09 3i3d h ARG 404 Cb 0.17 0.32 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3i3d h ARG 404 CO -0.01 1.42 -0.84 1.88 -1.07 0.00 0.00 179.97 181.35 3i3d h TYR 405 N 0.21 0.00 -1.39 3.04 -1.99 -0.47 -3.45 116.97 112.92 3i3d h TYR 405 Ca -0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.50 3i3d h TYR 405 Cb 2.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.79 3i3d h TYR 405 CO 0.12 0.66 0.00 0.41 -0.00 0.00 0.00 178.16 179.35 3i3d n GLY 406 N 1.30 -1.02 3.11 3.88 0.00 0.05 -4.81 105.19 107.71 3i3d n GLY 406 Ca -0.01 -0.48 -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 -0.13 0.96 0.13 0.99 1.43 -0.92 -4.67 118.68 116.48 3i3d s LEU 407 Ca 0.00 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 3i3d s LEU 407 Cb 0.00 0.81 -0.06 0.00 0.03 0.00 0.00 46.19 46.97 3i3d s LEU 407 CO 0.00 -0.10 0.97 -0.31 0.23 0.00 0.00 176.35 177.14 3i3d s TYR 408 N 0.32 3.81 -0.02 0.29 4.12 0.15 -4.71 117.35 121.32 3i3d s TYR 408 Ca -0.02 1.79 0.07 0.00 0.02 0.00 0.00 57.07 58.94 3i3d s TYR 408 Cb -0.03 -3.07 -0.02 0.00 -1.52 0.00 0.00 41.96 37.32 3i3d s TYR 408 CO -0.01 0.16 -0.24 0.08 0.02 0.00 0.00 175.55 175.56 3i3d s VAL 409 N -0.12 1.89 -0.39 0.71 1.01 0.19 -0.48 120.40 123.22 3i3d s VAL 409 Ca 0.47 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 3i3d s VAL 409 Cb -0.24 -1.57 0.07 0.00 0.00 0.00 0.00 36.38 34.64 3i3d s VAL 409 CO 0.30 0.53 0.21 -0.69 0.00 0.00 0.00 175.10 175.45 3i3d s VAL 410 N -0.57 4.00 -0.12 2.92 1.01 -0.68 -1.35 120.40 125.61 3i3d s VAL 410 Ca 0.09 -1.38 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 3i3d s VAL 410 Cb -0.09 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3i3d s VAL 410 CO -0.01 -0.42 0.76 -0.62 0.00 0.00 0.00 175.10 174.81 3i3d s ASP 411 N 1.86 6.95 -0.05 3.32 2.15 -0.82 -1.56 116.67 128.53 3i3d s ASP 411 Ca 0.02 1.16 0.06 0.00 0.43 0.00 0.00 52.55 54.22 3i3d s ASP 411 Cb -0.22 -2.43 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 3i3d s ASP 411 CO 0.02 -0.25 -0.22 -0.70 -0.17 0.00 0.00 175.17 173.84 3i3d s GLU 412 N 1.49 2.20 0.39 4.34 2.12 -1.26 -1.07 118.70 126.90 3i3d s GLU 412 Ca 0.37 -0.81 -0.27 0.00 0.36 0.00 0.00 54.97 54.63 3i3d s GLU 412 Cb -0.17 -1.92 -0.09 0.00 0.26 0.00 0.00 34.13 32.21 3i3d s GLU 412 CO 0.15 0.37 1.36 0.00 -0.54 0.00 0.00 175.26 176.60 3i3d s ALA 413 N -0.19 3.37 -1.25 6.30 0.00 -0.68 -2.01 121.76 127.30 3i3d s ALA 413 Ca -0.01 1.35 -0.18 0.00 0.00 0.00 0.00 51.96 53.12 3i3d s ALA 413 Cb -0.12 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 3i3d s ALA 413 CO 0.02 -0.90 1.98 -1.71 0.00 0.00 0.00 175.76 175.15 3i3d n ASN 414 N 0.27 3.87 -3.55 0.00 5.15 -1.26 -4.14 115.26 115.60 3i3d n ASN 414 Ca 0.03 -2.82 -0.24 0.00 -0.60 0.00 0.00 54.58 50.95 3i3d n ASN 414 Cb 0.42 -1.60 -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 4.98 -0.16 -0.10 -1.44 1.01 -1.25 -4.77 121.20 119.46 3i3d s ILE 415 Ca 0.54 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 3i3d s ILE 415 Cb 0.09 -0.72 0.05 0.00 0.01 0.00 0.00 42.46 41.89 3i3d s ILE 415 CO 0.03 -0.38 0.21 -0.70 0.00 0.00 0.00 174.94 174.11 3i3d s GLU 416 N 2.19 0.11 -0.27 2.79 2.12 -0.24 -1.23 118.70 124.18 3i3d s GLU 416 Ca 0.05 0.63 0.11 0.00 0.36 0.00 0.00 54.97 56.12 3i3d s GLU 416 Cb -0.16 -0.14 0.47 0.00 0.26 0.00 0.00 34.13 34.56 3i3d s GLU 416 CO -0.18 -0.27 1.17 0.25 -0.54 0.00 0.00 175.26 175.70 3i3d n THR 417 N 5.11 2.17 -0.34 -1.70 -2.24 -1.13 -0.83 114.28 115.32 3i3d n THR 417 Ca -0.10 -3.79 0.20 0.00 -2.27 0.00 0.00 64.05 58.09 3i3d n THR 417 Cb 0.50 -0.49 0.42 0.00 -2.10 0.00 0.00 70.33 68.66 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 2.15 0.96 0.00 4.78 6.17 -1.40 -2.08 115.15 125.73 3i3d h HIS 418 Ca 0.22 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.33 3i3d h HIS 418 Cb 1.45 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 31.11 3i3d h HIS 418 CO 0.75 0.00 0.00 0.41 0.71 0.00 0.00 177.93 179.80 3i3d n GLY 419 N -1.32 -0.87 3.84 5.26 0.00 -1.20 -4.79 105.19 106.12 3i3d n GLY 419 Ca 0.28 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 3.63 -0.23 1.61 -1.94 -0.78 -4.76 119.30 114.82 3i3d s MET 420 Ca 0.35 0.91 -0.01 0.00 -1.71 0.00 0.00 55.69 55.24 3i3d s MET 420 Cb 0.16 -2.09 0.07 0.00 2.01 0.00 0.00 34.83 34.98 3i3d s MET 420 CO 0.27 -0.54 -0.00 0.08 -0.01 0.00 0.00 175.02 174.83 3i3d s VAL 421 N -2.85 1.10 1.05 -6.03 1.01 -1.26 -3.03 120.40 110.39 3i3d s VAL 421 Ca 0.58 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 3i3d s VAL 421 Cb -0.12 -1.52 0.23 0.00 0.00 0.00 0.00 36.38 34.97 3i3d s VAL 421 CO 0.43 -0.22 1.22 -2.16 0.00 0.00 0.00 175.10 174.36 3i3d s PRO 422 N 1.58 -0.03 0.54 2.72 0.04 -1.26 -4.86 135.00 133.73 3i3d s PRO 422 Ca -0.02 -0.19 0.21 0.00 0.04 0.00 0.00 61.00 61.04 3i3d s PRO 422 Cb -0.18 -1.75 1.42 0.00 0.04 0.00 0.00 34.50 34.04 3i3d s PRO 422 CO -0.09 -2.90 2.15 1.98 0.04 0.00 0.00 177.00 178.19 3i3d h MET 423 N -1.99 0.00 -0.64 4.56 4.05 -1.84 -2.44 114.93 116.62 3i3d h MET 423 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 3i3d h MET 423 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3i3d h MET 423 CO 0.39 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.80 3i3d n ASN 424 N -4.33 4.26 -0.30 1.39 6.94 -1.25 -3.85 115.26 118.12 3i3d n ASN 424 Ca -0.01 -2.49 0.10 0.00 -0.02 0.00 0.00 54.58 52.16 3i3d n ASN 424 Cb 0.15 -0.56 0.32 0.00 -2.36 0.00 0.00 39.78 37.34 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 3.33 0.79 0.12 -3.83 2.43 -1.75 -1.34 114.38 114.12 3i3d h ARG 425 Ca 0.00 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.79 3i3d h ARG 425 Cb 1.38 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3i3d h ARG 425 CO 0.26 0.52 -1.80 -0.07 -1.51 0.00 0.00 179.97 177.37 3i3d h LEU 426 N 0.81 0.39 -0.50 3.80 3.38 -1.86 -3.33 115.31 118.00 3i3d h LEU 426 Ca 0.45 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3i3d h LEU 426 Cb 0.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3i3d h LEU 426 CO -0.22 1.78 0.00 0.35 0.09 0.00 0.00 178.44 180.44 3i3d n THR 427 N -3.67 1.14 0.67 0.22 -2.24 -1.08 -1.24 114.28 108.07 3i3d n THR 427 Ca -0.30 0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 3i3d n THR 427 Cb 0.99 -1.29 0.07 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.88 2.38 -4.55 3.42 2.03 -0.53 -1.78 116.55 115.64 3i3d n ASP 428 Ca 0.01 -1.69 -0.41 0.00 0.52 0.00 0.00 54.79 53.23 3i3d n ASP 428 Cb 0.13 -0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.36 6.20 0.63 1.67 -1.08 -0.38 -4.62 116.67 117.73 3i3d s ASP 429 Ca 0.19 -0.20 0.33 0.00 -0.52 0.00 0.00 52.55 52.36 3i3d s ASP 429 Cb 0.14 -2.21 1.86 0.00 -1.46 0.00 0.00 42.92 41.25 3i3d s ASP 429 CO 0.20 -0.35 2.13 1.55 0.52 0.00 0.00 175.17 179.23 3i3d h PRO 430 N 8.46 0.00 0.00 4.34 0.13 -1.91 -0.55 132.00 142.48 3i3d h PRO 430 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 3i3d h PRO 430 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3i3d h PRO 430 CO 0.70 0.00 -0.13 -0.09 -0.23 0.00 0.00 178.00 178.26 3i3d h ARG 431 N 0.00 0.00 -0.04 0.86 2.43 -1.93 -2.21 114.38 113.49 3i3d h ARG 431 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3i3d h ARG 431 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3i3d h ARG 431 CO -0.00 0.13 0.00 0.91 -1.51 0.00 0.00 179.97 179.50 3i3d n TRP 432 N -3.78 0.02 -0.27 2.20 7.02 -0.22 -4.40 117.44 118.02 3i3d n TRP 432 Ca -0.02 -0.01 -0.04 0.00 -1.02 0.00 0.00 57.50 56.41 3i3d n TRP 432 Cb 0.23 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.19 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 4.32 0.85 -0.05 -0.99 5.85 -1.41 -2.02 115.31 121.86 3i3d h LEU 433 Ca 0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3i3d h LEU 433 Cb 0.92 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3i3d h LEU 433 CO 0.00 0.61 -0.07 -0.65 -0.34 0.00 0.00 178.44 177.99 3i3d h PRO 434 N 1.00 -0.10 -0.78 5.25 0.11 -1.77 0.11 132.00 135.83 3i3d h PRO 434 Ca 0.28 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3i3d h PRO 434 Cb -0.09 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 3i3d h PRO 434 CO -0.07 -0.07 0.45 0.00 -0.21 0.00 0.00 178.00 178.11 3i3d h ALA 435 N 0.93 0.99 -0.29 -0.75 0.00 -1.71 -2.84 119.26 115.59 3i3d h ALA 435 Ca 0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3i3d h ALA 435 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3i3d h ALA 435 CO -0.11 0.47 -0.05 0.52 0.00 0.00 0.00 179.25 180.09 3i3d h MET 436 N 1.07 0.55 -0.94 0.00 2.86 -1.06 -3.12 114.93 114.29 3i3d h MET 436 Ca 0.28 -0.20 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 3i3d h MET 436 Cb -0.01 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.54 3i3d h MET 436 CO -0.05 0.73 0.60 0.66 1.06 0.00 0.00 176.91 179.91 3i3d h SER 437 N 0.32 0.93 0.25 1.22 4.64 -0.66 -1.61 113.55 118.65 3i3d h SER 437 Ca 0.08 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3i3d h SER 437 Cb 0.52 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3i3d h SER 437 CO 0.02 0.58 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.99 3i3d h GLU 438 N 1.06 0.00 0.00 4.77 5.08 -1.46 0.44 114.58 124.47 3i3d h GLU 438 Ca 0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.68 3i3d h GLU 438 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3i3d h GLU 438 CO -0.19 0.25 -0.50 0.00 -1.00 0.00 0.00 179.01 177.57 3i3d h ARG 439 N 0.00 0.00 0.00 2.33 3.08 -1.25 -2.69 114.38 115.85 3i3d h ARG 439 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3i3d h ARG 439 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3i3d h ARG 439 CO 0.03 0.50 -0.67 0.28 -1.07 0.00 0.00 179.97 179.04 3i3d h VAL 440 N 0.00 0.58 -0.86 2.04 2.07 -0.91 -3.34 116.25 115.83 3i3d h VAL 440 Ca -0.00 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 3i3d h VAL 440 Cb 1.06 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3i3d h VAL 440 CO 0.06 0.20 0.51 0.71 0.02 0.00 0.00 177.57 179.08 3i3d h THR 441 N -1.00 1.24 0.00 2.57 1.35 -0.26 -2.22 112.91 114.59 3i3d h THR 441 Ca -0.14 -0.54 -0.03 0.00 -0.55 0.00 0.00 66.41 65.16 3i3d h THR 441 Cb 0.81 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.26 3i3d h THR 441 CO -0.08 0.26 -0.13 0.03 -0.25 0.00 0.00 175.52 175.35 3i3d h ARG 442 N 1.19 0.00 -0.06 4.72 3.08 -1.68 -0.50 114.38 121.13 3i3d h ARG 442 Ca 0.31 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.28 3i3d h ARG 442 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3i3d h ARG 442 CO -0.06 0.13 -0.26 1.98 -1.07 0.00 0.00 179.97 180.69 3i3d h MET 443 N 0.00 0.27 -0.73 0.04 4.05 -1.55 -2.59 114.93 114.43 3i3d h MET 443 Ca -0.00 -0.22 -0.03 0.00 -0.28 0.00 0.00 59.70 59.17 3i3d h MET 443 Cb 0.68 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.49 3i3d h MET 443 CO 0.02 0.86 0.34 0.28 0.23 0.00 0.00 176.91 178.64 3i3d h VAL 444 N -0.25 1.24 0.00 -5.77 2.07 -1.14 -0.84 116.25 111.56 3i3d h VAL 444 Ca -0.02 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 3i3d h VAL 444 Cb 0.91 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3i3d h VAL 444 CO 0.05 0.28 -0.24 1.56 0.02 0.00 0.00 177.57 179.25 3i3d h GLN 445 N 1.02 0.00 0.08 1.57 4.20 -1.13 -2.06 115.11 118.79 3i3d h GLN 445 Ca 0.25 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.81 3i3d h GLN 445 Cb 0.13 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.92 3i3d h GLN 445 CO -0.03 0.24 -0.69 -0.09 -0.67 0.00 0.00 178.83 177.59 3i3d h ARG 446 N 0.00 0.17 -0.03 1.46 2.43 -1.00 -3.07 114.38 114.34 3i3d h ARG 446 Ca -0.00 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3i3d h ARG 446 Cb 0.46 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3i3d h ARG 446 CO 0.03 1.14 -0.03 -0.25 -1.51 0.00 0.00 179.97 179.34 3i3d n ASP 447 N -4.27 2.79 0.22 -3.80 8.00 -0.37 -4.22 116.55 114.89 3i3d n ASP 447 Ca -0.16 -1.90 0.13 0.00 0.71 0.00 0.00 54.79 53.58 3i3d n ASP 447 Cb 0.71 0.04 0.72 0.00 -0.02 0.00 0.00 41.12 42.57 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 4.23 0.00 -0.01 -1.24 0.11 -1.59 -2.07 114.38 113.81 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 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 3i3d h ARG 448 CO 0.00 0.00 -0.35 0.09 0.10 0.00 0.00 179.97 179.81 3i3d n ASN 449 N -2.48 1.32 -4.65 0.08 3.02 -1.26 -4.86 115.26 106.43 3i3d n ASN 449 Ca -0.02 -1.07 -0.43 0.00 -0.03 0.00 0.00 54.58 53.03 3i3d n ASN 449 Cb 0.14 0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.52 3.13 0.40 3.10 3.76 -0.78 -4.84 115.29 117.53 3i3d s HIS 450 Ca 0.22 1.24 0.08 0.00 -0.15 0.00 0.00 55.06 56.45 3i3d s HIS 450 Cb 0.19 -3.53 0.81 0.00 1.11 0.00 0.00 32.58 31.16 3i3d s HIS 450 CO 0.55 -0.89 1.97 -1.00 -0.85 0.00 0.00 174.74 174.52 3i3d h PRO 451 N 7.99 0.36 -0.08 8.40 0.13 -1.88 -2.84 132.00 144.08 3i3d h PRO 451 Ca -0.21 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3i3d h PRO 451 Cb 1.07 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3i3d h PRO 451 CO 1.01 0.37 0.05 0.66 -0.23 0.00 0.00 178.00 179.86 3i3d h SER 452 N 0.36 0.10 -3.26 1.44 4.64 -1.87 -3.39 113.55 111.56 3i3d h SER 452 Ca 0.08 -0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.83 3i3d h SER 452 Cb 0.20 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 3i3d h SER 452 CO 0.00 0.08 0.98 -0.69 -0.87 0.00 0.00 176.83 176.33 3i3d s VAL 453 N -5.14 4.12 -0.17 0.95 1.01 -1.07 0.57 120.40 120.67 3i3d s VAL 453 Ca -0.06 1.22 0.10 0.00 0.00 0.00 0.00 61.98 63.24 3i3d s VAL 453 Cb 0.17 -4.24 -0.13 0.00 0.00 0.00 0.00 36.38 32.17 3i3d s VAL 453 CO 0.68 -0.61 0.28 2.30 0.00 0.00 0.00 175.10 177.75 3i3d n ILE 454 N 6.48 0.00 -3.87 2.22 -5.35 -0.45 -4.91 119.36 113.47 3i3d n ILE 454 Ca 0.15 -0.24 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 3i3d n ILE 454 Cb 0.47 0.53 -0.14 0.00 -1.74 0.00 0.00 39.64 38.77 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 -2.39 0.01 -0.09 7.28 1.01 -1.18 -3.78 121.20 122.04 3i3d s ILE 455 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 3i3d s ILE 455 Cb 0.07 -0.02 -0.04 0.00 0.01 0.00 0.00 42.46 42.48 3i3d s ILE 455 CO 0.40 0.00 0.13 0.26 0.00 0.00 0.00 174.94 175.73 3i3d s TRP 456 N 0.01 3.53 -0.05 3.97 0.52 -0.52 -1.95 118.94 124.45 3i3d s TRP 456 Ca -0.00 0.45 0.05 0.00 0.02 0.00 0.00 56.10 56.62 3i3d s TRP 456 Cb -0.00 -1.90 -0.01 0.00 -1.15 0.00 0.00 33.47 30.41 3i3d s TRP 456 CO -0.00 0.69 -0.21 0.45 0.02 0.00 0.00 176.95 177.90 3i3d s SER 457 N -1.19 2.61 0.00 2.95 0.15 -0.23 -0.51 113.70 117.47 3i3d s SER 457 Ca 0.17 -0.43 0.23 0.00 0.70 0.00 0.00 55.95 56.62 3i3d s SER 457 Cb -0.12 -0.71 1.23 0.00 -1.71 0.00 0.00 66.02 64.71 3i3d s SER 457 CO 0.07 0.20 1.77 0.18 1.20 0.00 0.00 173.24 176.66 3i3d n LEU 458 N 3.03 0.00 0.00 3.45 4.77 -0.91 -1.69 117.00 125.66 3i3d n LEU 458 Ca -0.18 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3i3d n LEU 458 Cb 0.52 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3i3d n LEU 458 CO 0.25 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3i3d n GLY 459 N 0.65 0.69 3.36 -0.72 0.00 -1.26 -4.60 105.19 103.31 3i3d n GLY 459 Ca 0.12 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.43 -0.61 1.61 2.47 -0.36 -4.74 114.94 108.88 3i3d s ASN 460 Ca 0.00 0.63 -0.05 0.00 0.42 0.00 0.00 52.86 53.87 3i3d s ASN 460 Cb 0.00 0.68 0.01 0.00 -1.45 0.00 0.00 41.25 40.48 3i3d s ASN 460 CO 0.00 -0.35 0.41 -0.62 -3.72 0.00 0.00 177.10 172.82 3i3d n GLU 461 N 1.92 -0.93 -1.56 0.43 1.02 -1.26 -4.04 120.64 116.22 3i3d n GLU 461 Ca -0.17 0.37 0.04 0.00 -0.02 0.00 0.00 57.16 57.38 3i3d n GLU 461 Cb 0.56 -1.45 0.04 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.52 1.14 0.00 1.62 7.64 -1.26 -1.19 113.62 120.05 3i3d n SER 462 Ca -0.19 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.52 3i3d n SER 462 Cb 0.45 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.27 0.92 2.87 0.23 0.00 -1.25 -3.90 105.19 104.33 3i3d n GLY 463 Ca 0.07 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 1.67 0.35 1.61 2.46 -1.26 -3.58 115.29 116.54 3i3d s HIS 464 Ca 0.00 -1.13 0.08 0.00 0.47 0.00 0.00 55.06 54.48 3i3d s HIS 464 Cb 0.00 -1.29 -0.07 0.00 -0.13 0.00 0.00 32.58 31.09 3i3d s HIS 464 CO 0.00 -0.63 -0.05 0.20 -2.47 0.00 0.00 174.74 171.79 3i3d s GLY 465 N 1.64 2.19 0.55 1.59 0.00 -1.26 -4.86 107.32 107.17 3i3d s GLY 465 Ca -0.01 -2.10 0.23 0.00 0.00 0.00 0.00 44.72 42.84 3i3d s GLY 465 CO -0.07 -1.99 2.15 0.00 0.00 0.00 0.00 173.10 173.19 3i3d h ALA 466 N 2.02 1.90 -0.11 3.20 0.00 -1.81 -0.02 119.26 124.45 3i3d h ALA 466 Ca -0.42 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3i3d h ALA 466 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3i3d h ALA 466 CO 0.72 -0.13 -0.10 -0.91 0.00 0.00 0.00 179.25 178.83 3i3d h ASN 467 N 0.00 0.15 -0.36 0.00 2.35 -1.67 -1.77 115.58 114.28 3i3d h ASN 467 Ca 0.05 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3i3d h ASN 467 Cb 0.21 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3i3d h ASN 467 CO -0.00 0.27 -0.05 0.45 -1.65 0.00 0.00 177.43 176.46 3i3d h HIS 468 N 0.16 0.75 -0.87 1.19 3.86 -1.16 -1.65 115.15 117.42 3i3d h HIS 468 Ca 0.03 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 3i3d h HIS 468 Cb 0.28 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 3i3d h HIS 468 CO 0.00 0.80 0.45 -0.44 0.86 0.00 0.00 177.93 179.60 3i3d h ASP 469 N 0.48 1.11 -0.05 2.45 3.32 -1.38 0.17 116.42 122.52 3i3d h ASP 469 Ca 0.10 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3i3d h ASP 469 Cb 0.54 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3i3d h ASP 469 CO 0.03 0.91 0.02 0.00 -1.72 0.00 0.00 179.24 178.48 3i3d h ALA 470 N 1.26 0.07 0.00 3.45 0.00 -1.19 -2.15 119.26 120.70 3i3d h ALA 470 Ca 0.30 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3i3d h ALA 470 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i3d h ALA 470 CO -0.04 -0.34 -0.52 -0.07 0.00 0.00 0.00 179.25 178.27 3i3d h LEU 471 N -0.09 0.00 -0.08 0.00 3.38 -1.12 -1.30 115.31 116.11 3i3d h LEU 471 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i3d h LEU 471 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i3d h LEU 471 CO -0.00 0.52 0.04 0.22 0.09 0.00 0.00 178.44 179.31 3i3d h TYR 472 N 0.00 0.11 -0.32 1.13 3.20 -0.56 -2.33 116.97 118.20 3i3d h TYR 472 Ca -0.01 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3i3d h TYR 472 Cb 1.00 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 3i3d h TYR 472 CO 0.00 0.18 -0.13 -0.09 -1.64 0.00 0.00 178.16 176.48 3i3d h ARG 473 N 0.01 0.56 -0.24 1.82 9.65 -1.16 -2.35 114.38 122.66 3i3d h ARG 473 Ca 0.03 -0.17 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3i3d h ARG 473 Cb 0.11 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3i3d h ARG 473 CO -0.00 0.68 0.10 2.35 2.80 0.00 0.00 179.97 185.90 3i3d h TRP 474 N 0.51 0.19 -0.09 2.20 7.01 -0.99 -1.11 115.95 123.68 3i3d h TRP 474 Ca 0.09 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 3i3d h TRP 474 Cb 0.53 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 3i3d h TRP 474 CO 0.02 0.10 0.05 0.82 -2.79 0.00 0.00 178.44 176.64 3i3d h ILE 475 N 0.23 1.09 -0.72 2.65 2.04 -1.21 -0.18 117.51 121.40 3i3d h ILE 475 Ca 0.10 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.84 3i3d h ILE 475 Cb 0.05 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3i3d h ILE 475 CO -0.09 0.08 0.48 0.11 0.00 0.00 0.00 178.15 178.73 3i3d h LYS 476 N 0.05 0.44 -0.01 2.37 1.79 -1.24 0.34 116.57 120.30 3i3d h LYS 476 Ca 0.03 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3i3d h LYS 476 Cb 0.08 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3i3d h LYS 476 CO -0.00 0.29 -0.12 1.03 -1.08 0.00 0.00 179.45 179.57 3i3d h SER 477 N 0.45 0.13 0.88 0.86 0.87 -0.62 -3.27 113.55 112.84 3i3d h SER 477 Ca 0.35 -0.71 -0.21 0.00 -1.23 0.00 0.00 61.79 59.99 3i3d h SER 477 Cb 0.72 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 3i3d h SER 477 CO -0.11 0.81 -0.97 -0.37 -0.53 0.00 0.00 176.83 175.67 3i3d h VAL 478 N -0.55 1.64 -2.52 2.23 -1.51 -0.54 -3.41 116.25 111.59 3i3d h VAL 478 Ca -0.01 -3.16 -0.59 0.00 -1.23 0.00 0.00 66.70 61.71 3i3d h VAL 478 Cb 0.82 2.74 -0.39 0.00 -2.13 0.00 0.00 31.29 32.33 3i3d h VAL 478 CO 0.02 0.91 -0.90 -0.62 -1.23 0.00 0.00 177.57 175.75 3i3d s ASP 479 N -6.79 2.28 0.00 4.19 2.15 0.11 -4.97 116.67 113.65 3i3d s ASP 479 Ca -0.00 -2.76 0.21 0.00 0.43 0.00 0.00 52.55 50.43 3i3d s ASP 479 Cb 0.10 -0.52 1.28 0.00 -0.30 0.00 0.00 42.92 43.48 3i3d s ASP 479 CO 0.82 -0.22 1.66 -0.81 -0.17 0.00 0.00 175.17 176.45 3i3d n PRO 480 N 3.28 0.67 0.00 4.34 -0.04 -1.23 -3.37 135.00 138.64 3i3d n PRO 480 Ca 0.22 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 3i3d n PRO 480 Cb 0.42 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 32.96 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 -1.00 0.18 -3.99 3.54 3.41 -1.26 -4.84 113.62 109.66 3i3d n SER 481 Ca 0.16 0.06 -0.18 0.00 -0.26 0.00 0.00 58.87 58.65 3i3d n SER 481 Cb 0.07 -0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.84 0.70 0.85 4.33 0.52 -1.22 -4.22 118.95 117.08 3i3d s ARG 482 Ca 0.18 -0.26 -0.11 0.00 -0.52 0.00 0.00 55.73 55.03 3i3d s ARG 482 Cb 0.19 -0.68 0.10 0.00 0.52 0.00 0.00 34.95 35.08 3i3d s ARG 482 CO 0.54 0.13 1.10 -2.14 0.02 0.00 0.00 175.30 174.95 3i3d s PRO 483 N 0.00 1.63 -0.09 3.54 0.02 -1.25 -4.78 135.00 134.07 3i3d s PRO 483 Ca 0.00 1.14 0.04 0.00 0.02 0.00 0.00 61.00 62.20 3i3d s PRO 483 Cb -0.05 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3i3d s PRO 483 CO -0.00 -2.08 -0.21 0.08 -0.33 0.00 0.00 177.00 174.47 3i3d s VAL 484 N -2.84 1.78 0.20 3.83 1.01 -1.26 -1.44 120.40 121.68 3i3d s VAL 484 Ca 0.63 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.80 3i3d s VAL 484 Cb -0.19 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3i3d s VAL 484 CO 0.57 0.50 -0.09 0.00 0.00 0.00 0.00 175.10 176.08 3i3d s GLN 485 N 0.38 1.25 -0.29 2.72 -2.07 0.33 -0.07 119.66 121.92 3i3d s GLN 485 Ca -0.16 -1.57 -0.16 0.00 -1.82 0.00 0.00 55.36 51.65 3i3d s GLN 485 Cb -0.17 -0.83 0.14 0.00 -1.09 0.00 0.00 33.01 31.06 3i3d s GLN 485 CO 0.07 0.07 0.94 -0.47 -1.32 0.00 0.00 175.29 174.58 3i3d s TYR 486 N -3.20 -0.65 -0.10 9.60 5.04 -1.26 -2.14 117.35 124.65 3i3d s TYR 486 Ca 0.22 1.28 0.15 0.00 -2.44 0.00 0.00 57.07 56.28 3i3d s TYR 486 Cb 0.02 0.39 -0.11 0.00 0.35 0.00 0.00 41.96 42.61 3i3d s TYR 486 CO 0.05 -0.32 0.97 1.49 -1.34 0.00 0.00 175.55 176.41 3i3d h GLU 487 N 6.25 0.00 -6.59 4.97 4.22 -1.85 -3.43 114.58 118.15 3i3d h GLU 487 Ca -0.28 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 58.58 3i3d h GLU 487 Cb 1.19 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.61 3i3d h GLU 487 CO 0.19 0.42 -0.20 0.41 -2.18 0.00 0.00 179.01 177.65 3i3d n GLY 488 N 1.38 -1.05 2.23 1.92 0.00 -1.26 0.22 105.19 108.62 3i3d n GLY 488 Ca -0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 1.59 0.73 0.00 -0.02 0.00 -1.23 -3.86 105.19 102.40 3i3d n GLY 489 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.63 0.99 4.13 -0.02 0.00 -1.22 -4.73 105.19 102.71 3i3d n GLY 490 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.40 4.61 0.00 0.13 -4.68 120.51 117.73 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 -0.67 0.05 0.00 0.00 0.00 0.00 19.45 18.83 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 0.00 1.25 -3.33 0.00 5.75 -1.26 -2.29 116.55 116.67 3i3d n ASP 492 Ca 0.00 -2.31 -0.22 0.00 -0.01 0.00 0.00 54.79 52.25 3i3d n ASP 492 Cb 0.00 -0.35 0.18 0.00 -1.03 0.00 0.00 41.12 39.92 3i3d n ASP 492 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3i3d n THR 493 N 0.13 0.00 1.48 2.12 -2.24 -1.26 -4.91 114.28 109.59 3i3d n THR 493 Ca 0.09 -0.46 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3i3d n THR 493 Cb 1.04 -1.29 0.72 0.00 -2.10 0.00 0.00 70.33 68.70 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 -4.05 0.06 -0.74 4.28 -2.24 -1.26 -2.99 114.28 107.33 3i3d n THR 494 Ca 0.12 0.01 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 3i3d n THR 494 Cb 0.44 -0.62 0.36 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.07 3.32 -3.35 6.98 0.00 -1.26 -4.94 120.51 120.19 3i3d n ALA 495 Ca 0.17 -1.76 -0.13 0.00 0.00 0.00 0.00 53.44 51.72 3i3d n ALA 495 Cb 0.11 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.22 -0.02 -0.87 0.00 -1.32 -1.16 -4.11 115.64 105.94 3i3d s THR 496 Ca 0.51 0.08 0.26 0.00 -1.21 0.00 0.00 61.69 61.33 3i3d s THR 496 Cb 0.35 -0.21 0.10 0.00 -1.51 0.00 0.00 72.50 71.23 3i3d s THR 496 CO 0.20 0.03 1.53 0.47 -2.21 0.00 0.00 174.62 174.65 3i3d n ASP 497 N 3.57 0.48 -4.05 8.08 8.00 0.90 -4.82 116.55 128.71 3i3d n ASP 497 Ca -0.19 0.10 -0.23 0.00 0.71 0.00 0.00 54.79 55.18 3i3d n ASP 497 Cb 0.56 -0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.46 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 -3.06 1.06 -0.31 0.53 1.01 -1.26 -4.49 121.20 114.67 3i3d s ILE 498 Ca 0.10 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 3i3d s ILE 498 Cb 0.16 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 3i3d s ILE 498 CO 0.66 0.32 1.42 -0.63 0.00 0.00 0.00 174.94 176.71 3i3d s ILE 499 N 0.17 3.95 -0.49 2.92 1.01 -0.30 -4.68 121.20 123.77 3i3d s ILE 499 Ca -0.04 1.04 0.08 0.00 0.00 0.00 0.00 60.65 61.73 3i3d s ILE 499 Cb -0.10 -4.04 0.33 0.00 0.01 0.00 0.00 42.46 38.65 3i3d s ILE 499 CO 0.01 -0.50 0.82 0.00 0.00 0.00 0.00 174.94 175.27 3i3d s PRO 501 N -2.84 2.12 -0.18 0.00 0.04 -1.26 -3.77 135.00 129.11 3i3d s PRO 501 Ca 0.44 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 3i3d s PRO 501 Cb 0.29 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.95 3i3d s PRO 501 CO -0.10 -1.76 -0.11 0.00 0.04 0.00 0.00 177.00 175.06 3i3d s MET 502 N -4.66 3.27 -1.25 4.56 0.23 -1.26 -2.11 119.30 118.09 3i3d s MET 502 Ca 0.64 -0.70 0.00 0.00 -1.03 0.00 0.00 55.69 54.60 3i3d s MET 502 Cb -0.19 -2.78 0.00 0.00 -1.53 0.00 0.00 34.83 30.32 3i3d s MET 502 CO 0.53 -0.09 0.00 0.66 -2.03 0.00 0.00 175.02 174.10 3i3d n TYR 503 N 4.39 -0.61 -2.62 3.16 4.02 0.12 -4.97 117.16 120.66 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 -2.98 -0.05 0.00 -0.02 0.00 0.00 39.34 36.80 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 -2.69 3.36 0.65 -0.72 0.00 -1.26 -4.89 121.76 116.20 3i3d s ALA 504 Ca 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 3i3d s ALA 504 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.87 3i3d s ALA 504 CO 0.00 0.00 0.97 1.03 0.00 0.00 0.00 175.76 177.76 3i3d s ARG 505 N -1.05 2.69 -0.01 0.00 0.52 -1.26 -4.80 118.95 115.05 3i3d s ARG 505 Ca 0.44 0.01 -0.24 0.00 -0.52 0.00 0.00 55.73 55.42 3i3d s ARG 505 Cb -0.28 -2.19 -0.16 0.00 0.52 0.00 0.00 34.95 32.83 3i3d s ARG 505 CO 0.35 -0.92 1.10 0.28 0.02 0.00 0.00 175.30 176.14 3i3d h VAL 506 N -0.39 0.67 0.00 3.52 2.07 -1.95 -0.55 116.25 119.63 3i3d h VAL 506 Ca -0.45 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 3i3d h VAL 506 Cb 1.27 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3i3d h VAL 506 CO 0.61 0.13 -1.48 0.47 0.02 0.00 0.00 177.57 177.32 3i3d n ASP 507 N -5.09 3.03 -4.67 0.57 8.00 -1.26 -3.39 116.55 113.74 3i3d n ASP 507 Ca -0.09 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.01 3i3d n ASP 507 Cb 0.27 1.00 -0.06 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 -2.37 4.26 0.43 -1.24 2.12 -1.26 -4.72 118.70 115.91 3i3d s GLU 508 Ca -0.04 0.66 -0.17 0.00 0.36 0.00 0.00 54.97 55.78 3i3d s GLU 508 Cb 0.04 -3.55 -0.09 0.00 0.26 0.00 0.00 34.13 30.79 3i3d s GLU 508 CO 0.34 -0.17 0.89 -0.51 -0.54 0.00 0.00 175.26 175.27 3i3d s ASP 509 N 1.09 6.76 -0.47 -1.70 1.01 -1.26 -3.88 116.67 118.22 3i3d s ASP 509 Ca 0.30 1.49 0.03 0.00 0.71 0.00 0.00 52.55 55.09 3i3d s ASP 509 Cb -0.16 -2.47 0.16 0.00 1.01 0.00 0.00 42.92 41.46 3i3d s ASP 509 CO 0.11 -0.39 0.33 -1.10 0.21 0.00 0.00 175.17 174.34 3i3d s GLN 510 N -3.46 1.25 -0.50 8.23 -0.21 -0.27 -4.92 119.66 119.77 3i3d s GLN 510 Ca 0.58 -2.23 -0.04 0.00 0.02 0.00 0.00 55.36 53.69 3i3d s GLN 510 Cb -0.10 -1.99 -0.06 0.00 1.00 0.00 0.00 33.01 31.86 3i3d s GLN 510 CO 0.21 -1.30 1.86 -0.35 -2.12 0.00 0.00 175.29 173.60 3i3d n PRO 511 N 2.97 1.40 -1.82 2.91 -0.04 -1.26 -1.31 135.00 137.85 3i3d n PRO 511 Ca 0.21 -1.01 -0.38 0.00 -0.04 0.00 0.00 63.50 62.28 3i3d n PRO 511 Cb 0.41 -2.17 0.04 0.00 -0.04 0.00 0.00 33.50 31.75 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 3.29 2.30 0.45 0.54 2.99 -1.26 -4.87 117.98 121.42 3i3d s PHE 512 Ca 0.30 1.40 -0.25 0.00 0.00 0.00 0.00 56.93 58.39 3i3d s PHE 512 Cb 0.10 -3.74 -0.08 0.00 0.00 0.00 0.00 43.02 39.29 3i3d s PHE 512 CO -0.02 -2.78 1.32 -2.14 -0.00 0.00 0.00 175.22 171.60 3i3d s PRO 513 N -2.97 3.74 0.00 0.24 0.02 -1.26 -2.44 135.00 132.33 3i3d s PRO 513 Ca 0.73 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.93 3i3d s PRO 513 Cb -0.39 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3i3d s PRO 513 CO 0.45 -0.69 0.00 0.00 -0.33 0.00 0.00 177.00 176.43 3i3d n ALA 514 N -0.22 0.00 -3.16 -1.55 0.00 -1.26 -4.45 120.51 109.87 3i3d n ALA 514 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 3i3d n ALA 514 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 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 1.62 -1.25 0.00 0.24 -1.24 -4.81 118.33 112.89 3i3d n VAL 515 Ca 0.00 -5.04 -0.32 0.00 -2.04 0.00 0.00 64.34 56.95 3i3d n VAL 515 Cb 0.00 -1.44 0.10 0.00 -1.47 0.00 0.00 33.84 31.03 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 -2.64 2.10 -0.48 7.34 0.04 -1.02 -4.57 135.00 135.77 3i3d s PRO 516 Ca 0.43 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.84 3i3d s PRO 516 Cb 0.24 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 33.04 3i3d s PRO 516 CO -0.09 -1.78 0.22 0.15 0.04 0.00 0.00 177.00 175.54 3i3d s LYS 517 N -4.63 1.83 0.70 4.56 1.02 -0.43 -4.88 119.74 117.91 3i3d s LYS 517 Ca 0.64 -2.44 -0.11 0.00 0.02 0.00 0.00 55.97 54.08 3i3d s LYS 517 Cb -0.20 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 3i3d s LYS 517 CO 0.53 -1.09 1.06 -1.58 -0.92 0.00 0.00 175.35 173.35 3i3d s TRP 518 N -0.04 3.05 0.29 3.18 0.52 -1.26 -1.12 118.94 123.56 3i3d s TRP 518 Ca 0.16 1.44 -0.29 0.00 0.02 0.00 0.00 56.10 57.43 3i3d s TRP 518 Cb -0.25 -2.91 -0.13 0.00 -1.15 0.00 0.00 33.47 29.04 3i3d s TRP 518 CO -0.01 -1.29 1.29 0.45 0.02 0.00 0.00 176.95 177.41 3i3d n SER 519 N -3.12 2.52 0.23 2.95 2.88 -1.25 -4.39 113.62 113.45 3i3d n SER 519 Ca 0.08 1.18 0.07 0.00 -1.33 0.00 0.00 58.87 58.86 3i3d n SER 519 Cb 0.53 -1.43 0.55 0.00 -0.75 0.00 0.00 64.21 63.11 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 2.66 1.04 -0.42 2.46 3.07 -1.10 0.14 117.51 125.35 3i3d h ILE 520 Ca -0.45 -0.55 -0.12 0.00 1.55 0.00 0.00 64.86 65.29 3i3d h ILE 520 Cb 1.29 1.30 -0.01 0.00 -0.27 0.00 0.00 36.82 39.13 3i3d h ILE 520 CO 0.67 0.15 -0.22 0.11 -1.05 0.00 0.00 178.15 177.82 3i3d h LYS 521 N 0.00 0.89 -0.27 0.16 1.57 -1.83 -3.10 116.57 113.99 3i3d h LYS 521 Ca -0.00 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 58.21 3i3d h LYS 521 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3i3d h LYS 521 CO 0.02 1.05 -0.51 -0.22 -0.57 0.00 0.00 179.45 179.21 3i3d h LYS 522 N 0.71 0.83 -0.61 3.15 3.64 -1.69 -3.27 116.57 119.33 3i3d h LYS 522 Ca 0.09 -0.53 0.12 0.00 -1.27 0.00 0.00 60.65 59.07 3i3d h LYS 522 Cb 0.79 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.57 3i3d h LYS 522 CO 0.06 1.16 0.04 2.35 -2.27 0.00 0.00 179.45 180.79 3i3d h TRP 523 N 0.59 0.03 -0.97 1.91 2.91 -0.70 -2.25 115.95 117.47 3i3d h TRP 523 Ca 0.01 0.04 0.18 0.00 1.13 0.00 0.00 58.89 60.26 3i3d h TRP 523 Cb 1.12 0.08 -0.11 0.00 -0.51 0.00 0.00 29.16 29.75 3i3d h TRP 523 CO 0.08 -0.13 0.56 -0.07 -1.03 0.00 0.00 178.44 177.85 3i3d h LEU 524 N 0.15 0.71 -2.90 0.65 3.38 -1.59 -2.72 115.31 112.99 3i3d h LEU 524 Ca 0.32 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3i3d h LEU 524 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3i3d h LEU 524 CO -0.49 0.25 0.00 -1.54 0.09 0.00 0.00 178.44 176.75 3i3d n SER 525 N -4.80 4.37 -4.63 -0.43 3.41 -0.86 -4.56 113.62 106.12 3i3d n SER 525 Ca 0.22 -2.24 -0.38 0.00 -0.26 0.00 0.00 58.87 56.21 3i3d n SER 525 Cb 0.55 -0.54 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3i3d n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i3d n LEU 526 N 1.37 3.79 -4.66 1.04 4.77 -1.03 -4.74 117.00 117.55 3i3d n LEU 526 Ca 0.25 0.85 -0.59 0.00 -0.03 0.00 0.00 56.01 56.49 3i3d n LEU 526 Cb 0.76 -1.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.37 3i3d n LEU 526 CO 0.21 -1.69 1.38 -2.65 -1.33 0.00 0.00 177.39 173.31 3i3d n PRO 527 N -0.91 0.88 0.00 3.23 -0.02 -1.26 -1.19 135.00 135.73 3i3d n PRO 527 Ca 0.13 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3i3d n PRO 527 Cb 0.46 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 4.67 2.14 3.74 -1.23 0.00 -1.26 -5.04 105.19 108.20 3i3d n GLY 528 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.31 4.65 0.00 1.61 2.56 -0.34 -4.92 118.70 121.96 3i3d s GLU 529 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 54.97 56.60 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 0.17 0.01 0.25 -0.56 0.00 0.00 175.26 175.13 3i3d n THR 530 N 2.28 0.00 -1.69 -1.70 -2.24 -1.26 -4.78 114.28 104.89 3i3d n THR 530 Ca 0.02 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.48 3i3d n THR 530 Cb 0.47 1.70 0.05 0.00 -2.10 0.00 0.00 70.33 70.45 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 -0.01 2.90 0.57 -0.78 0.52 -1.26 -3.81 118.95 117.08 3i3d s ARG 531 Ca 0.00 0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 55.84 3i3d s ARG 531 Cb 0.00 -2.00 -0.06 0.00 0.52 0.00 0.00 34.95 33.41 3i3d s ARG 531 CO 0.00 -1.07 1.00 -1.25 0.02 0.00 0.00 175.30 174.00 3i3d s PRO 532 N -5.15 3.76 -0.16 3.54 0.04 -1.12 -4.82 135.00 131.09 3i3d s PRO 532 Ca 0.58 0.83 0.01 0.00 0.04 0.00 0.00 61.00 62.46 3i3d s PRO 532 Cb -0.13 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3i3d s PRO 532 CO 0.54 -0.42 -0.19 -1.17 0.04 0.00 0.00 177.00 175.80 3i3d s LEU 533 N -4.65 2.00 -0.10 -3.56 0.20 -0.17 -1.15 118.68 111.26 3i3d s LEU 533 Ca 0.57 -0.59 -0.02 0.00 0.69 0.00 0.00 54.13 54.78 3i3d s LEU 533 Cb -0.10 -1.38 0.03 0.00 -0.43 0.00 0.00 46.19 44.31 3i3d s LEU 533 CO 0.43 0.01 0.00 -0.63 -0.29 0.00 0.00 176.35 175.88 3i3d s ILE 534 N 1.19 0.43 0.05 6.68 1.01 -0.26 -1.88 121.20 128.41 3i3d s ILE 534 Ca 0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 3i3d s ILE 534 Cb -0.14 -0.65 -0.07 0.00 0.01 0.00 0.00 42.46 41.61 3i3d s ILE 534 CO -0.09 0.17 1.50 -0.76 0.00 0.00 0.00 174.94 175.76 3i3d s LEU 535 N 1.94 4.34 0.45 2.97 1.43 -0.91 -3.97 118.68 124.93 3i3d s LEU 535 Ca 0.04 2.30 0.25 0.00 -1.03 0.00 0.00 54.13 55.69 3i3d s LEU 535 Cb -0.13 -3.57 0.72 0.00 0.03 0.00 0.00 46.19 43.24 3i3d s LEU 535 CO -0.06 -0.77 1.74 0.00 0.23 0.00 0.00 176.35 177.49 3i3d s GLU 537 N -3.40 0.49 0.12 0.00 2.02 -1.24 -4.31 118.70 112.38 3i3d s GLU 537 Ca 0.04 0.81 -0.25 0.00 0.02 0.00 0.00 54.97 55.58 3i3d s GLU 537 Cb 0.07 0.09 0.07 0.00 0.10 0.00 0.00 34.13 34.46 3i3d s GLU 537 CO 0.64 -0.13 0.83 1.52 0.02 0.00 0.00 175.26 178.14 3i3d s TYR 538 N 1.09 -0.29 -1.03 1.61 -0.85 -1.04 0.14 117.35 116.97 3i3d s TYR 538 Ca -0.07 0.03 -0.09 0.00 -0.52 0.00 0.00 57.07 56.42 3i3d s TYR 538 Cb -0.06 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 3i3d s TYR 538 CO -0.10 -0.80 0.86 0.00 -1.52 0.00 0.00 175.55 173.99 3i3d n ALA 539 N -0.38 -2.52 -1.60 9.51 0.00 -1.26 -1.54 120.51 122.73 3i3d n ALA 539 Ca -0.09 0.01 -0.46 0.00 0.00 0.00 0.00 53.44 52.91 3i3d n ALA 539 Cb 0.62 -4.76 -0.04 0.00 0.00 0.00 0.00 19.45 15.26 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 -3.29 2.06 -1.24 0.00 -0.00 -0.62 -3.94 115.22 108.18 3i3d n HIS 540 Ca -0.07 -0.03 -0.24 0.00 0.46 0.00 0.00 57.72 57.83 3i3d n HIS 540 Cb 0.60 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 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 9.28 5.88 -2.43 1.57 0.00 0.31 -4.31 120.51 130.82 3i3d n ALA 541 Ca 0.29 -2.57 -0.43 0.00 0.00 0.00 0.00 53.44 50.73 3i3d n ALA 541 Cb 0.35 -1.77 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.13 3.21 0.00 0.00 0.00 -1.26 -3.75 121.76 117.84 3i3d s ALA 542 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3i3d s ALA 542 Cb 0.34 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3i3d s ALA 542 CO -0.12 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 173.98 3i3d n GLY 543 N 4.67 3.16 3.56 0.00 0.00 -1.26 -4.05 105.19 111.27 3i3d n GLY 543 Ca 0.15 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 6.01 0.00 1.61 3.84 -1.26 -4.87 114.94 116.27 3i3d s ASN 544 Ca 0.00 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 51.94 3i3d s ASN 544 Cb 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 3i3d s ASN 544 CO 0.00 -1.95 0.00 -0.24 -2.79 0.00 0.00 177.10 172.12 3i3d n SER 545 N 10.67 0.11 0.00 -4.21 2.88 -1.26 -4.78 113.62 117.03 3i3d n SER 545 Ca 0.34 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 3i3d n SER 545 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.02 -4.73 2.46 7.94 -1.19 -4.77 117.00 116.69 3i3d n LEU 546 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3i3d n LEU 546 Cb 0.00 -0.44 -0.03 0.00 0.53 0.00 0.00 43.42 43.48 3i3d n LEU 546 CO 0.00 0.00 0.97 -0.83 -1.11 0.00 0.00 177.39 176.42 3i3d s GLY 547 N -2.87 2.36 0.00 -3.96 0.00 0.47 -2.24 107.32 101.07 3i3d s GLY 547 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.77 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 2.73 0.76 0.37 0.20 0.00 0.68 -4.02 105.19 105.91 3i3d n GLY 548 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 1.19 0.00 1.61 3.57 -1.63 -1.53 116.94 120.14 3i3d h PHE 549 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3i3d h PHE 549 Cb 0.00 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.35 3i3d h PHE 549 CO 0.00 0.57 -0.11 0.00 -2.23 0.00 0.00 178.31 176.53 3i3d h ALA 550 N 1.48 1.68 -0.56 2.41 0.00 -1.86 -2.25 119.26 120.16 3i3d h ALA 550 Ca 0.45 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3i3d h ALA 550 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3i3d h ALA 550 CO -0.20 0.14 0.12 -0.22 0.00 0.00 0.00 179.25 179.09 3i3d h LYS 551 N 0.00 0.87 0.12 0.00 3.64 -1.67 -1.79 116.57 117.75 3i3d h LYS 551 Ca -0.00 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3i3d h LYS 551 Cb 0.22 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3i3d h LYS 551 CO 0.01 0.79 -0.06 1.88 -2.27 0.00 0.00 179.45 179.81 3i3d h TYR 552 N 0.84 -0.16 0.00 1.91 -1.99 -1.44 -2.81 116.97 113.32 3i3d h TYR 552 Ca 0.18 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.86 3i3d h TYR 552 Cb 0.33 0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 3i3d h TYR 552 CO 0.02 0.03 -0.20 -1.49 -0.00 0.00 0.00 178.16 176.52 3i3d h TRP 553 N -0.32 0.00 -0.54 4.88 4.06 -1.44 -0.02 115.95 122.57 3i3d h TRP 553 Ca -0.02 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 3i3d h TRP 553 Cb 0.26 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3i3d h TRP 553 CO -0.02 0.20 -0.01 0.37 -3.56 0.00 0.00 178.44 175.42 3i3d h GLN 554 N 0.00 0.97 -0.37 0.49 -0.00 -1.24 -1.75 115.11 113.20 3i3d h GLN 554 Ca -0.00 -0.31 -0.12 0.00 -0.00 0.00 0.00 58.65 58.21 3i3d h GLN 554 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 3i3d h GLN 554 CO 0.03 0.98 -0.25 0.00 0.00 0.00 0.00 178.83 179.58 3i3d h ALA 555 N 0.95 0.53 -1.00 3.38 0.00 -1.09 -1.98 119.26 120.05 3i3d h ALA 555 Ca 0.15 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3i3d h ALA 555 Cb 0.55 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3i3d h ALA 555 CO 0.03 0.53 0.65 0.74 0.00 0.00 0.00 179.25 181.20 3i3d h PHE 556 N 0.62 1.22 0.00 0.00 0.04 -0.83 -0.43 116.94 117.55 3i3d h PHE 556 Ca 0.07 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.70 3i3d h PHE 556 Cb 0.82 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 3i3d h PHE 556 CO 0.06 0.68 -0.84 0.00 -0.60 0.00 0.00 178.31 177.61 3i3d h ARG 557 N 1.23 0.00 0.21 1.51 3.08 -1.22 -3.33 114.38 115.86 3i3d h ARG 557 Ca 0.41 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.13 3i3d h ARG 557 Cb 0.05 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.13 3i3d h ARG 557 CO -0.14 0.84 -1.49 0.37 -1.07 0.00 0.00 179.97 178.48 3i3d h GLN 558 N 0.00 0.44 -4.93 0.04 4.15 -0.85 -3.44 115.11 110.52 3i3d h GLN 558 Ca -0.01 -0.76 -0.66 0.00 0.77 0.00 0.00 58.65 57.99 3i3d h GLN 558 Cb 1.49 0.28 -0.17 0.00 0.21 0.00 0.00 27.48 29.30 3i3d h GLN 558 CO 0.11 1.35 -0.32 0.71 -1.93 0.00 0.00 178.83 178.75 3i3d s TYR 559 N -2.61 3.22 0.22 3.99 1.51 -0.22 -4.98 117.35 118.48 3i3d s TYR 559 Ca -0.09 -0.00 -0.08 0.00 -1.01 0.00 0.00 57.07 55.88 3i3d s TYR 559 Cb 0.05 -2.62 0.33 0.00 -0.11 0.00 0.00 41.96 39.60 3i3d s TYR 559 CO 0.91 -0.39 1.73 -1.35 -1.11 0.00 0.00 175.55 175.34 3i3d h PRO 560 N 8.44 0.37 0.00 -1.71 0.11 -1.86 -1.85 132.00 135.50 3i3d h PRO 560 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3i3d h PRO 560 Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i3d h PRO 560 CO 0.67 0.25 0.00 0.54 -0.21 0.00 0.00 178.00 179.25 3i3d n ARG 561 N -5.03 0.25 -3.05 1.05 1.74 -1.26 -4.23 116.66 106.13 3i3d n ARG 561 Ca 0.10 0.08 -0.45 0.00 -0.77 0.00 0.00 57.85 56.81 3i3d n ARG 561 Cb 0.32 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.68 5.32 -0.40 0.55 1.43 -0.70 -1.00 118.68 121.21 3i3d s LEU 562 Ca 0.19 -1.68 0.04 0.00 -1.03 0.00 0.00 54.13 51.65 3i3d s LEU 562 Cb 0.15 -2.33 0.60 0.00 0.03 0.00 0.00 46.19 44.64 3i3d s LEU 562 CO 0.37 -1.09 1.82 0.00 0.23 0.00 0.00 176.35 177.68 3i3d n GLN 563 N 6.31 2.19 0.00 1.70 6.02 -0.79 -4.58 117.38 128.22 3i3d n GLN 563 Ca 0.03 -2.70 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 3i3d n GLN 563 Cb 0.45 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.65 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 -0.93 -0.38 0.00 1.08 0.00 -1.26 -0.40 105.19 103.30 3i3d n GLY 564 Ca 0.53 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.68 3.19 -0.02 0.00 -0.93 -2.15 105.19 104.61 3i3d n GLY 565 Ca 0.00 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 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 3.20 0.54 1.61 0.40 0.18 -1.54 117.98 120.37 3i3d s PHE 566 Ca 0.00 -1.72 -0.21 0.00 -0.60 0.00 0.00 56.93 54.40 3i3d s PHE 566 Cb 0.00 -2.11 -0.06 0.00 0.51 0.00 0.00 43.02 41.36 3i3d s PHE 566 CO 0.00 -0.77 1.14 0.28 0.70 0.00 0.00 175.22 176.57 3i3d n VAL 567 N 4.66 3.51 -4.01 -0.44 0.31 -0.32 -2.51 118.33 119.51 3i3d n VAL 567 Ca -0.14 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.36 3i3d n VAL 567 Cb 0.45 -1.37 -0.15 0.00 -0.91 0.00 0.00 33.84 31.86 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 -1.37 3.42 0.00 3.52 -0.11 -0.59 -0.46 118.94 123.34 3i3d s TRP 568 Ca 0.71 -2.44 0.00 0.00 1.22 0.00 0.00 56.10 55.60 3i3d s TRP 568 Cb -0.44 -2.29 0.00 0.00 -1.50 0.00 0.00 33.47 29.23 3i3d s TRP 568 CO 0.50 -0.89 0.00 -0.40 -4.62 0.00 0.00 176.95 171.54 3i3d n ASP 569 N 4.42 0.00 0.24 5.86 5.75 0.16 -0.53 116.55 132.46 3i3d n ASP 569 Ca -0.09 -0.52 -0.11 0.00 -0.01 0.00 0.00 54.79 54.07 3i3d n ASP 569 Cb 0.42 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.52 -0.62 -4.11 2.11 2.91 -0.97 -1.35 115.95 114.44 3i3d h TRP 570 Ca 0.00 -0.01 -0.48 0.00 1.13 0.00 0.00 58.89 59.53 3i3d h TRP 570 Cb 0.00 0.21 -0.29 0.00 -0.51 0.00 0.00 29.16 28.56 3i3d h TRP 570 CO 0.00 -0.37 -0.81 0.54 -1.03 0.00 0.00 178.44 176.77 3i3d s VAL 571 N -3.79 1.06 0.26 2.65 0.11 -1.26 -0.67 120.40 118.75 3i3d s VAL 571 Ca -0.10 -0.56 -0.30 0.00 -2.93 0.00 0.00 61.98 58.08 3i3d s VAL 571 Cb 0.01 -0.89 -0.13 0.00 -1.53 0.00 0.00 36.38 33.83 3i3d s VAL 571 CO 0.31 0.30 1.32 0.47 -3.33 0.00 0.00 175.10 174.18 3i3d n ASP 572 N 2.85 2.48 -3.23 3.54 8.00 -0.58 -4.32 116.55 125.31 3i3d n ASP 572 Ca -0.15 1.16 -0.37 0.00 0.71 0.00 0.00 54.79 56.14 3i3d n ASP 572 Cb 0.55 -1.41 -0.00 0.00 -0.02 0.00 0.00 41.12 40.24 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 1.56 4.09 -3.64 -1.24 6.02 0.28 -4.03 117.38 120.42 3i3d n GLN 573 Ca 0.10 -3.56 -0.33 0.00 -0.01 0.00 0.00 57.00 53.20 3i3d n GLN 573 Cb 0.32 -2.43 -0.05 0.00 1.02 0.00 0.00 30.24 29.10 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 -0.32 6.55 0.13 1.08 1.04 -1.26 -4.73 113.70 116.19 3i3d s SER 574 Ca 0.51 0.67 0.08 0.00 0.48 0.00 0.00 55.95 57.69 3i3d s SER 574 Cb 0.27 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 3i3d s SER 574 CO -0.18 0.11 -0.13 -0.76 0.98 0.00 0.00 173.24 173.26 3i3d s LEU 575 N -2.30 2.90 -0.02 2.42 1.43 -0.34 -4.28 118.68 118.49 3i3d s LEU 575 Ca 0.37 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 3i3d s LEU 575 Cb -0.13 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3i3d s LEU 575 CO 0.21 0.16 0.58 -0.63 0.23 0.00 0.00 176.35 176.90 3i3d s ILE 576 N -1.32 4.95 0.27 -0.59 1.01 -0.96 0.72 121.20 125.28 3i3d s ILE 576 Ca 0.21 1.20 0.03 0.00 0.00 0.00 0.00 60.65 62.09 3i3d s ILE 576 Cb -0.10 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 3i3d s ILE 576 CO 0.13 0.41 0.04 -0.54 0.00 0.00 0.00 174.94 174.98 3i3d s LYS 577 N -0.11 1.47 0.01 2.79 1.02 -0.56 -4.94 119.74 119.42 3i3d s LYS 577 Ca 0.30 -1.78 0.06 0.00 0.02 0.00 0.00 55.97 54.57 3i3d s LYS 577 Cb -0.18 -0.64 -0.02 0.00 -0.52 0.00 0.00 37.83 36.47 3i3d s LYS 577 CO 0.16 -0.17 -0.20 0.71 -0.92 0.00 0.00 175.35 174.93 3i3d s TYR 578 N -3.44 1.76 0.00 3.18 1.51 -1.26 -0.67 117.35 118.43 3i3d s TYR 578 Ca 0.33 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 3i3d s TYR 578 Cb 0.07 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 3i3d s TYR 578 CO 0.12 0.02 0.00 -0.40 -1.11 0.00 0.00 175.55 174.18 3i3d n ASP 579 N 2.30 0.00 0.27 2.29 5.68 -0.46 -4.92 116.55 121.70 3i3d n ASP 579 Ca -0.16 -0.70 -0.18 0.00 -0.50 0.00 0.00 54.79 53.25 3i3d n ASP 579 Cb 0.53 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.42 3i3d n ASP 579 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i3d h GLU 580 N 0.00 -0.90 -0.23 0.11 5.08 -2.01 -1.05 114.58 115.57 3i3d h GLU 580 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3i3d h GLU 580 Cb 0.00 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3i3d h GLU 580 CO 0.00 -0.60 0.00 0.09 -1.00 0.00 0.00 179.01 177.50 3i3d n ASN 581 N -5.54 0.23 0.00 1.42 3.02 -1.26 -4.70 115.26 108.43 3i3d n ASN 581 Ca -0.11 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 3i3d n ASN 581 Cb 0.44 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.32 0.00 3.74 7.41 0.00 -0.40 -4.93 105.19 111.33 3i3d n GLY 582 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i3d n GLY 582 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3d s ASN 583 N -1.92 7.13 0.36 1.61 2.47 -1.26 -4.66 114.94 118.67 3i3d s ASN 583 Ca 0.00 2.21 -0.17 0.00 0.42 0.00 0.00 52.86 55.31 3i3d s ASN 583 Cb 0.00 -2.61 -0.10 0.00 -1.45 0.00 0.00 41.25 37.10 3i3d s ASN 583 CO 0.00 -0.33 0.81 -2.16 -3.72 0.00 0.00 177.10 171.70 3i3d s PRO 584 N -0.32 4.09 0.03 0.43 0.04 -1.26 -1.36 135.00 136.65 3i3d s PRO 584 Ca 0.52 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.29 3i3d s PRO 584 Cb -0.32 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 31.89 3i3d s PRO 584 CO 0.37 0.09 0.21 1.67 0.04 0.00 0.00 177.00 179.37 3i3d s TRP 585 N -2.05 0.02 -0.19 0.56 1.48 0.15 -4.96 118.94 113.95 3i3d s TRP 585 Ca 0.57 -0.18 -0.29 0.00 -1.06 0.00 0.00 56.10 55.13 3i3d s TRP 585 Cb -0.10 -0.01 0.00 0.00 -1.16 0.00 0.00 33.47 32.21 3i3d s TRP 585 CO 0.16 -0.41 1.04 -1.12 -4.06 0.00 0.00 176.95 172.55 3i3d s SER 586 N -1.92 7.14 0.19 -2.66 0.01 -1.26 -1.50 113.70 113.71 3i3d s SER 586 Ca -0.07 1.44 0.08 0.00 1.31 0.00 0.00 55.95 58.71 3i3d s SER 586 Cb -0.02 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 3i3d s SER 586 CO -0.02 -0.60 -0.01 0.00 0.41 0.00 0.00 173.24 173.01 3i3d s ALA 587 N 2.82 3.15 0.00 1.44 0.00 0.22 -4.92 121.76 124.48 3i3d s ALA 587 Ca 0.46 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3i3d s ALA 587 Cb -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3i3d s ALA 587 CO 0.10 0.43 0.00 2.48 0.00 0.00 0.00 175.76 178.77 3i3d n TYR 588 N -0.27 0.00 -1.54 0.00 0.18 -1.26 -1.20 117.16 113.07 3i3d n TYR 588 Ca -0.09 0.00 -0.54 0.00 1.88 0.00 0.00 57.90 59.15 3i3d n TYR 588 Cb 0.56 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.46 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 1.42 -0.02 1.76 -7.48 0.00 -0.13 -1.53 105.19 99.21 3i3d n GLY 589 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 2.02 3.18 0.00 -0.02 0.00 -1.26 -4.05 105.19 105.06 3i3d n GLY 590 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.26 1.61 8.00 -0.58 -2.26 116.55 123.06 3i3d n ASP 591 Ca 0.00 -0.27 0.05 0.00 0.71 0.00 0.00 54.79 55.29 3i3d n ASP 591 Cb 0.00 -0.13 0.11 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.13 0.22 -0.41 1.24 3.01 -1.26 -4.92 117.46 114.21 3i3d n PHE 592 Ca 0.11 -0.72 0.00 0.00 1.01 0.00 0.00 57.45 57.84 3i3d n PHE 592 Cb 0.09 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.65 1.78 3.69 1.37 0.00 -0.96 -4.85 105.19 105.57 3i3d n GLY 593 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.37 6.46 -0.22 1.61 -4.77 -1.26 -4.97 116.67 110.16 3i3d s ASP 594 Ca 0.00 2.69 -0.19 0.00 -3.30 0.00 0.00 52.55 51.75 3i3d s ASP 594 Cb 0.00 -2.56 0.06 0.00 -1.09 0.00 0.00 42.92 39.33 3i3d s ASP 594 CO 0.00 -0.99 0.57 0.28 0.70 0.00 0.00 175.17 175.72 3i3d s THR 595 N 3.02 -0.00 0.79 2.11 -1.32 -1.26 -3.98 115.64 115.01 3i3d s THR 595 Ca 0.81 0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 61.19 3i3d s THR 595 Cb -0.44 -0.79 0.07 0.00 -1.51 0.00 0.00 72.50 69.82 3i3d s THR 595 CO 0.36 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.71 3i3d s PRO 596 N 0.48 2.10 0.19 7.08 0.04 -1.26 -5.16 135.00 138.47 3i3d s PRO 596 Ca -0.01 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 3i3d s PRO 596 Cb -0.04 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3i3d s PRO 596 CO -0.02 -1.72 0.21 0.54 0.04 0.00 0.00 177.00 176.04 3i3d s ASN 597 N -3.44 0.12 -0.37 6.66 2.20 -1.26 -4.76 114.94 114.09 3i3d s ASN 597 Ca 0.61 -1.19 0.05 0.00 -0.94 0.00 0.00 52.86 51.40 3i3d s ASN 597 Cb -0.17 0.41 0.46 0.00 -2.00 0.00 0.00 41.25 39.95 3i3d s ASN 597 CO 0.56 -0.88 1.40 0.47 -2.94 0.00 0.00 177.10 175.71 3i3d n ASP 598 N -0.25 5.05 0.00 3.54 8.00 -0.34 -4.96 116.55 127.59 3i3d n ASP 598 Ca -0.01 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.71 3i3d n ASP 598 Cb 0.64 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.83 0.00 0.00 -1.24 1.85 -1.26 -1.86 116.66 113.33 3i3d n ARG 599 Ca 0.45 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.40 3i3d n ARG 599 Cb 0.90 0.00 0.58 0.00 -1.05 0.00 0.00 32.46 32.89 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 10.33 0.97 0.00 2.89 0.00 -1.26 -0.95 117.38 129.36 3i3d n GLN 600 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.00 57.06 3i3d n GLN 600 Cb 0.00 -1.31 0.34 0.00 0.00 0.00 0.00 30.24 29.26 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 -0.81 0.00 1.41 2.61 3.01 -0.78 -1.69 117.46 121.21 3i3d n PHE 601 Ca 0.15 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.74 3i3d n PHE 601 Cb 0.07 -0.13 0.48 0.00 -0.01 0.00 0.00 39.48 39.88 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 -1.94 1.64 -0.02 0.00 -1.94 -0.68 -0.56 119.30 115.81 3i3d s MET 603 Ca 0.36 -1.89 0.02 0.00 -1.71 0.00 0.00 55.69 52.47 3i3d s MET 603 Cb 0.20 -3.32 0.04 0.00 2.01 0.00 0.00 34.83 33.76 3i3d s MET 603 CO 0.32 -0.98 0.99 0.09 -0.01 0.00 0.00 175.02 175.43 3i3d n ASN 604 N 4.30 0.30 -4.92 3.03 3.02 -1.26 -4.14 115.26 115.59 3i3d n ASN 604 Ca 0.02 -2.09 -0.27 0.00 -0.03 0.00 0.00 54.58 52.22 3i3d n ASN 604 Cb 0.41 -0.22 0.04 0.00 -0.61 0.00 0.00 39.78 39.41 3i3d n ASN 604 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i3d s GLY 605 N -1.18 1.63 0.28 7.41 0.00 -1.25 -0.66 107.32 113.55 3i3d s GLY 605 Ca 0.04 -0.73 0.25 0.00 0.00 0.00 0.00 44.72 44.28 3i3d s GLY 605 CO 0.00 -0.42 1.64 1.41 0.00 0.00 0.00 173.10 175.73 3i3d h LEU 606 N -0.29 0.00 -8.48 0.66 3.38 0.31 -3.43 115.31 107.45 3i3d h LEU 606 Ca -0.45 -0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.16 3i3d h LEU 606 Cb 1.27 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.84 3i3d h LEU 606 CO 0.61 0.01 -0.74 0.68 0.09 0.00 0.00 178.44 179.09 3i3d s VAL 607 N -3.16 1.02 0.88 1.22 -7.23 -0.75 -0.62 120.40 111.76 3i3d s VAL 607 Ca 0.08 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 3i3d s VAL 607 Cb 0.10 -1.40 0.12 0.00 0.56 0.00 0.00 36.38 35.76 3i3d s VAL 607 CO 0.64 -0.53 1.10 -0.36 -0.31 0.00 0.00 175.10 175.64 3i3d s PHE 608 N -2.40 2.45 0.49 2.82 0.40 0.13 -1.52 117.98 120.34 3i3d s PHE 608 Ca 0.06 1.16 0.24 0.00 -0.60 0.00 0.00 56.93 57.80 3i3d s PHE 608 Cb -0.03 -3.18 1.29 0.00 0.51 0.00 0.00 43.02 41.61 3i3d s PHE 608 CO 0.01 -2.28 1.91 0.00 0.70 0.00 0.00 175.22 175.55 3i3d h ALA 609 N -1.46 2.49 -0.25 5.36 0.00 -1.89 0.51 119.26 124.02 3i3d h ALA 609 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i3d h ALA 609 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3i3d h ALA 609 CO 0.57 -0.73 0.00 -0.40 0.00 0.00 0.00 179.25 178.69 3i3d n ASP 610 N -4.39 2.29 -0.06 0.00 5.75 -1.26 -4.50 116.55 114.37 3i3d n ASP 610 Ca 0.16 -2.20 -0.01 0.00 -0.01 0.00 0.00 54.79 52.73 3i3d n ASP 610 Cb 0.76 -0.41 -0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 0.29 -0.81 -2.46 0.11 3.00 0.18 -5.00 116.66 111.97 3i3d n ARG 611 Ca 0.10 0.26 -0.41 0.00 -0.01 0.00 0.00 57.85 57.79 3i3d n ARG 611 Cb 0.46 -3.90 -0.04 0.00 0.00 0.00 0.00 32.46 28.98 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 -1.65 3.77 0.46 0.55 2.01 -1.25 -4.72 115.64 114.80 3i3d s THR 612 Ca 0.00 1.51 -0.24 0.00 0.31 0.00 0.00 61.69 63.27 3i3d s THR 612 Cb 0.00 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 3i3d s THR 612 CO 0.00 0.25 1.25 -2.84 -0.69 0.00 0.00 174.62 172.59 3i3d s PRO 613 N -0.30 3.69 0.39 4.92 0.02 -1.26 0.17 135.00 142.63 3i3d s PRO 613 Ca 0.51 1.99 -0.04 0.00 0.02 0.00 0.00 61.00 63.48 3i3d s PRO 613 Cb -0.30 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 3i3d s PRO 613 CO 0.35 -0.67 0.65 -1.01 -0.33 0.00 0.00 177.00 176.00 3i3d s HIS 614 N -1.40 3.52 0.40 6.54 3.76 0.21 -4.78 115.29 123.53 3i3d s HIS 614 Ca 0.63 0.63 0.11 0.00 -0.15 0.00 0.00 55.06 56.28 3i3d s HIS 614 Cb -0.34 -2.12 0.91 0.00 1.11 0.00 0.00 32.58 32.14 3i3d s HIS 614 CO 0.42 -0.02 1.93 -1.35 -0.85 0.00 0.00 174.74 174.87 3i3d h PRO 615 N 0.81 0.55 -0.31 8.40 0.11 -1.92 -2.12 132.00 137.52 3i3d h PRO 615 Ca -0.48 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.69 3i3d h PRO 615 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3i3d h PRO 615 CO 0.63 0.36 0.29 0.00 -0.21 0.00 0.00 178.00 179.07 3i3d h ALA 616 N 1.64 2.06 -1.00 -0.75 0.00 -1.86 -2.35 119.26 116.99 3i3d h ALA 616 Ca 0.35 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3i3d h ALA 616 Cb 0.60 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 3i3d h ALA 616 CO -0.13 -0.45 0.65 1.25 0.00 0.00 0.00 179.25 180.57 3i3d h LEU 617 N 0.00 1.05 -1.11 0.00 5.85 -1.57 -1.47 115.31 118.06 3i3d h LEU 617 Ca 0.15 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3i3d h LEU 617 Cb 0.73 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3i3d h LEU 617 CO -0.00 0.68 -0.27 0.00 -0.34 0.00 0.00 178.44 178.50 3i3d h THR 618 N 1.19 1.25 -0.52 1.05 1.03 -1.62 -1.40 112.91 113.90 3i3d h THR 618 Ca 0.43 -1.20 -0.09 0.00 -0.01 0.00 0.00 66.41 65.55 3i3d h THR 618 Cb 0.14 1.43 -0.02 0.00 -1.07 0.00 0.00 68.15 68.64 3i3d h THR 618 CO -0.17 0.37 -0.01 -0.08 -0.01 0.00 0.00 175.52 175.62 3i3d h GLU 619 N 0.26 0.92 -0.61 0.00 4.57 -1.40 -1.86 114.58 116.47 3i3d h GLU 619 Ca 0.04 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 57.85 3i3d h GLU 619 Cb 0.62 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 3i3d h GLU 619 CO 0.04 0.95 0.11 0.00 -1.18 0.00 0.00 179.01 178.93 3i3d h ALA 620 N 0.94 0.81 -0.66 2.92 0.00 -1.06 -1.98 119.26 120.23 3i3d h ALA 620 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i3d h ALA 620 Cb 0.54 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3i3d h ALA 620 CO 0.03 0.56 0.39 -0.22 0.00 0.00 0.00 179.25 180.00 3i3d h LYS 621 N 0.91 0.90 0.13 0.00 3.64 -1.07 -0.67 116.57 120.41 3i3d h LYS 621 Ca 0.19 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3i3d h LYS 621 Cb 0.42 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3i3d h LYS 621 CO 0.01 0.65 -0.06 1.25 -2.27 0.00 0.00 179.45 179.03 3i3d h HIS 622 N 0.89 -0.16 0.00 1.91 2.76 -1.17 -2.79 115.15 116.59 3i3d h HIS 622 Ca 0.23 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3i3d h HIS 622 Cb -0.01 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 3i3d h HIS 622 CO -0.01 0.07 -0.11 1.96 -1.30 0.00 0.00 177.93 178.53 3i3d h GLN 623 N -0.37 0.00 -0.54 5.26 1.08 -1.28 -2.52 115.11 116.73 3i3d h GLN 623 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3i3d h GLN 623 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3i3d h GLN 623 CO 0.03 0.11 0.00 1.04 -0.95 0.00 0.00 178.83 179.06 3i3d n GLN 624 N -3.45 2.44 -1.63 1.46 6.02 -0.27 -4.97 117.38 116.98 3i3d n GLN 624 Ca -0.01 -1.85 -0.38 0.00 -0.01 0.00 0.00 57.00 54.74 3i3d n GLN 624 Cb 0.27 -1.51 0.05 0.00 1.02 0.00 0.00 30.24 30.07 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 0.85 1.05 0.00 -1.09 6.02 -0.95 -4.85 117.38 118.41 3i3d n GLN 625 Ca 0.17 0.40 0.12 0.00 -0.01 0.00 0.00 57.00 57.68 3i3d n GLN 625 Cb 0.51 -2.22 0.24 0.00 1.02 0.00 0.00 30.24 29.79 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 -1.53 0.00 -4.94 1.08 3.01 -1.26 -4.84 117.46 108.98 3i3d n PHE 626 Ca 0.13 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.31 3i3d n PHE 626 Cb 0.46 -0.03 -0.16 0.00 -0.01 0.00 0.00 39.48 39.74 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 -2.22 1.94 0.11 1.38 0.40 -1.26 0.23 117.98 118.56 3i3d s PHE 627 Ca 0.27 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 3i3d s PHE 627 Cb 0.20 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 3i3d s PHE 627 CO 0.42 -0.22 -0.03 -0.65 0.70 0.00 0.00 175.22 175.44 3i3d s GLN 628 N 0.12 2.40 0.08 0.44 -1.52 0.32 -4.94 119.66 116.56 3i3d s GLN 628 Ca -0.07 -0.95 0.05 0.00 -1.95 0.00 0.00 55.36 52.43 3i3d s GLN 628 Cb -0.13 -2.43 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 3i3d s GLN 628 CO 0.04 0.51 -0.13 -0.06 -0.25 0.00 0.00 175.29 175.40 3i3d s PHE 629 N -1.38 1.17 -0.00 0.91 0.40 -1.26 -0.72 117.98 117.09 3i3d s PHE 629 Ca 0.25 -0.52 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 3i3d s PHE 629 Cb -0.11 -0.65 -0.00 0.00 0.51 0.00 0.00 43.02 42.77 3i3d s PHE 629 CO 0.17 0.05 0.08 1.03 0.70 0.00 0.00 175.22 177.26 3i3d s ARG 630 N -2.12 0.34 -0.07 0.44 0.52 -0.68 -4.97 118.95 112.40 3i3d s ARG 630 Ca 0.01 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 3i3d s ARG 630 Cb -0.08 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.54 3i3d s ARG 630 CO 0.02 -0.07 -0.18 -1.17 0.02 0.00 0.00 175.30 173.92 3i3d s LEU 631 N -0.99 1.87 -0.26 2.53 2.96 -1.26 -0.45 118.68 123.07 3i3d s LEU 631 Ca -0.11 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3i3d s LEU 631 Cb -0.06 -1.08 0.09 0.00 0.50 0.00 0.00 46.19 45.64 3i3d s LEU 631 CO 0.00 0.11 0.13 -0.55 -1.32 0.00 0.00 176.35 174.72 3i3d s SER 632 N 0.41 3.20 1.47 3.68 0.15 -0.23 -5.02 113.70 117.36 3i3d s SER 632 Ca -0.14 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.40 3i3d s SER 632 Cb -0.16 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 3i3d s SER 632 CO 0.05 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3i3d n GLY 633 N 5.26 2.85 1.14 9.45 0.00 -1.26 -1.51 105.19 121.13 3i3d n GLY 633 Ca -0.06 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 9.93 2.73 -4.27 1.61 1.13 -1.26 -4.95 117.38 122.29 3i3d n GLN 634 Ca 0.00 -2.46 -0.34 0.00 -1.94 0.00 0.00 57.00 52.26 3i3d n GLN 634 Cb 0.00 -1.48 -0.12 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 -1.03 4.02 -0.20 5.09 2.01 -0.57 0.52 115.64 125.48 3i3d s THR 635 Ca 0.41 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 3i3d s THR 635 Cb 0.22 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3i3d s THR 635 CO 0.28 0.47 0.01 -0.63 -0.69 0.00 0.00 174.62 174.07 3i3d s ILE 636 N 0.51 4.03 -0.27 1.82 1.01 0.19 -1.07 121.20 127.42 3i3d s ILE 636 Ca -0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3i3d s ILE 636 Cb -0.14 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 3i3d s ILE 636 CO 0.02 0.42 0.18 -0.70 0.00 0.00 0.00 174.94 174.86 3i3d s GLU 637 N 0.99 3.94 -0.21 2.79 2.12 0.40 -0.58 118.70 128.16 3i3d s GLU 637 Ca 0.02 -0.33 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 3i3d s GLU 637 Cb -0.14 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 3i3d s GLU 637 CO 0.02 -0.15 0.02 0.08 -0.54 0.00 0.00 175.26 174.68 3i3d s VAL 638 N 1.67 4.08 -0.08 3.70 1.01 0.31 -1.69 120.40 129.39 3i3d s VAL 638 Ca 0.07 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3i3d s VAL 638 Cb -0.16 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3i3d s VAL 638 CO 0.10 0.42 -0.15 -0.89 0.00 0.00 0.00 175.10 174.57 3i3d s THR 639 N 1.05 2.97 -0.04 3.92 2.01 0.10 -0.69 115.64 124.96 3i3d s THR 639 Ca 0.03 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 3i3d s THR 639 Cb -0.14 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 3i3d s THR 639 CO 0.02 0.56 0.39 -0.55 -0.69 0.00 0.00 174.62 174.36 3i3d s SER 640 N -0.26 6.74 0.00 3.53 0.15 -0.20 -0.52 113.70 123.15 3i3d s SER 640 Ca 0.01 0.88 0.14 0.00 0.70 0.00 0.00 55.95 57.68 3i3d s SER 640 Cb -0.13 -2.24 0.37 0.00 -1.71 0.00 0.00 66.02 62.30 3i3d s SER 640 CO 0.03 0.26 1.29 -0.62 1.20 0.00 0.00 173.24 175.40 3i3d n GLU 641 N 2.26 2.58 -2.54 5.44 1.02 0.13 -2.67 120.64 126.87 3i3d n GLU 641 Ca -0.13 -2.11 -0.34 0.00 -0.02 0.00 0.00 57.16 54.56 3i3d n GLU 641 Cb 0.52 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.03 2.99 -0.17 -0.32 1.51 -1.26 -4.82 117.35 114.26 3i3d s TYR 642 Ca 0.29 1.58 0.17 0.00 -1.01 0.00 0.00 57.07 58.10 3i3d s TYR 642 Cb 0.15 -3.07 -0.24 0.00 -0.11 0.00 0.00 41.96 38.70 3i3d s TYR 642 CO 0.21 -0.84 0.10 1.28 -1.11 0.00 0.00 175.55 175.19 3i3d n LEU 643 N -0.98 0.00 -0.00 -1.29 4.77 -1.26 -1.47 117.00 116.77 3i3d n LEU 643 Ca 0.09 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3i3d n LEU 643 Cb 0.52 0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3i3d n LEU 643 CO 0.40 0.42 -0.50 0.49 -1.33 0.00 0.00 177.39 176.86 3i3d n PHE 644 N -2.65 0.00 -3.64 -1.77 3.01 -1.26 -4.84 117.46 106.32 3i3d n PHE 644 Ca -0.28 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 57.91 3i3d n PHE 644 Cb 1.05 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.49 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 -2.00 3.53 0.45 -1.08 1.70 -1.26 -4.81 118.95 115.47 3i3d s ARG 645 Ca -0.00 -0.31 -0.02 0.00 -0.47 0.00 0.00 55.73 54.93 3i3d s ARG 645 Cb 0.00 -2.81 -0.02 0.00 -0.57 0.00 0.00 34.95 31.55 3i3d s ARG 645 CO 0.00 0.36 0.70 -1.01 -1.08 0.00 0.00 175.30 174.28 3i3d s HIS 646 N -1.92 3.42 -1.44 5.89 3.76 -1.26 -3.44 115.29 120.29 3i3d s HIS 646 Ca 0.39 0.51 -0.13 0.00 -0.15 0.00 0.00 55.06 55.68 3i3d s HIS 646 Cb -0.11 -2.24 0.05 0.00 1.11 0.00 0.00 32.58 31.39 3i3d s HIS 646 CO 0.29 -0.25 2.21 -1.13 -0.85 0.00 0.00 174.74 175.01 3i3d n SER 647 N -2.12 4.25 -1.01 1.40 3.41 -0.86 -4.68 113.62 114.01 3i3d n SER 647 Ca -0.00 -2.87 0.05 0.00 -0.26 0.00 0.00 58.87 55.79 3i3d n SER 647 Cb 0.56 -1.63 0.20 0.00 -0.26 0.00 0.00 64.21 63.08 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 5.68 2.88 -2.69 4.04 5.68 -1.26 -3.92 116.55 126.96 3i3d n ASP 648 Ca 0.52 -2.26 -0.07 0.00 -0.50 0.00 0.00 54.79 52.48 3i3d n ASP 648 Cb 0.38 -0.44 0.10 0.00 -1.14 0.00 0.00 41.12 40.02 3i3d n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i3d n ASN 649 N 0.50 -1.09 -3.90 -1.12 5.15 -1.26 -5.05 115.26 108.50 3i3d n ASN 649 Ca 0.14 -2.47 -0.12 0.00 -0.60 0.00 0.00 54.58 51.53 3i3d n ASN 649 Cb 0.56 0.63 -0.14 0.00 -0.53 0.00 0.00 39.78 40.30 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 -0.59 0.10 -0.02 1.20 8.01 -1.25 -4.17 118.70 121.98 3i3d s GLU 650 Ca 0.22 -0.10 0.00 0.00 0.01 0.00 0.00 54.97 55.10 3i3d s GLU 650 Cb 0.41 -0.05 0.02 0.00 -4.31 0.00 0.00 34.13 30.20 3i3d s GLU 650 CO -0.07 0.01 0.01 -1.17 0.01 0.00 0.00 175.26 174.05 3i3d s LEU 651 N -0.18 1.38 -0.24 1.80 2.96 0.15 -2.63 118.68 121.92 3i3d s LEU 651 Ca -0.01 -0.00 -0.13 0.00 -0.22 0.00 0.00 54.13 53.76 3i3d s LEU 651 Cb -0.01 -0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.50 3i3d s LEU 651 CO -0.00 -0.07 0.28 -0.22 -1.32 0.00 0.00 176.35 175.02 3i3d s LEU 652 N 0.73 4.10 -0.12 -0.68 2.96 0.35 0.42 118.68 126.44 3i3d s LEU 652 Ca -0.07 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3i3d s LEU 652 Cb -0.10 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 3i3d s LEU 652 CO -0.02 -0.05 0.00 -1.00 -1.32 0.00 0.00 176.35 173.97 3i3d s HIS 653 N 1.45 3.14 0.06 5.38 3.76 0.21 -0.23 115.29 129.06 3i3d s HIS 653 Ca 0.13 0.05 0.06 0.00 -0.15 0.00 0.00 55.06 55.15 3i3d s HIS 653 Cb -0.15 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 3i3d s HIS 653 CO 0.08 0.30 -0.16 1.67 -0.85 0.00 0.00 174.74 175.77 3i3d s TRP 654 N -0.38 1.41 -0.07 1.40 1.48 0.54 -0.40 118.94 122.91 3i3d s TRP 654 Ca 0.07 -0.39 -0.05 0.00 -1.06 0.00 0.00 56.10 54.67 3i3d s TRP 654 Cb -0.12 -0.81 0.03 0.00 -1.16 0.00 0.00 33.47 31.40 3i3d s TRP 654 CO 0.02 0.08 0.18 1.41 -4.06 0.00 0.00 176.95 174.58 3i3d s MET 655 N -1.42 0.18 -0.11 3.25 1.75 0.31 -0.64 119.30 122.63 3i3d s MET 655 Ca 0.02 0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.79 3i3d s MET 655 Cb -0.09 0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.58 3i3d s MET 655 CO 0.02 -0.07 -0.16 0.08 -0.65 0.00 0.00 175.02 174.24 3i3d s VAL 656 N 0.46 2.77 -0.01 10.11 1.01 0.18 -0.83 120.40 134.09 3i3d s VAL 656 Ca -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3i3d s VAL 656 Cb -0.04 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3i3d s VAL 656 CO -0.02 0.54 0.08 0.00 0.00 0.00 0.00 175.10 175.70 3i3d s ALA 657 N 0.18 -0.19 -0.40 5.51 0.00 -0.52 -0.81 121.76 125.53 3i3d s ALA 657 Ca -0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 3i3d s ALA 657 Cb -0.16 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3i3d s ALA 657 CO 0.06 -0.11 0.28 -1.17 0.00 0.00 0.00 175.76 174.82 3i3d s LEU 658 N -0.62 4.99 -1.41 0.00 2.96 0.38 -0.71 118.68 124.28 3i3d s LEU 658 Ca -0.07 -0.87 -0.08 0.00 -0.22 0.00 0.00 54.13 52.89 3i3d s LEU 658 Cb -0.04 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3i3d s LEU 658 CO 0.00 -0.42 0.33 0.47 -1.32 0.00 0.00 176.35 175.41 3i3d n ASP 659 N 5.13 -0.89 0.00 3.68 8.00 -0.96 -0.58 116.55 130.92 3i3d n ASP 659 Ca -0.11 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3i3d n ASP 659 Cb 0.47 -2.24 0.00 0.00 -0.02 0.00 0.00 41.12 39.33 3i3d n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3d n GLY 660 N -2.23 2.99 3.55 0.44 0.00 -1.26 -4.82 105.19 103.86 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 -0.34 3.47 0.42 1.61 1.02 0.25 -4.68 119.74 121.49 3i3d s LYS 661 Ca 0.00 -0.01 -0.26 0.00 0.02 0.00 0.00 55.97 55.72 3i3d s LYS 661 Cb 0.00 -3.92 -0.09 0.00 -0.52 0.00 0.00 37.83 33.30 3i3d s LYS 661 CO 0.00 -1.10 1.44 -1.25 -0.92 0.00 0.00 175.35 173.52 3i3d s PRO 662 N 3.34 3.84 0.00 -1.68 0.04 -1.26 -0.47 135.00 138.80 3i3d s PRO 662 Ca 0.31 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.81 3i3d s PRO 662 Cb -0.12 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.66 3i3d s PRO 662 CO 0.22 -0.71 0.00 1.28 0.04 0.00 0.00 177.00 177.84 3i3d n LEU 663 N 0.04 0.00 -3.59 -3.56 4.32 0.01 -4.85 117.00 109.37 3i3d n LEU 663 Ca 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.91 3i3d n LEU 663 Cb 0.41 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.15 3i3d n LEU 663 CO 0.60 0.00 0.72 0.00 -1.22 0.00 0.00 177.39 177.49 3i3d s ALA 664 N -1.82 -1.92 0.15 -1.18 0.00 -1.11 -4.95 121.76 110.93 3i3d s ALA 664 Ca 0.00 1.65 -0.16 0.00 0.00 0.00 0.00 51.96 53.45 3i3d s ALA 664 Cb 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3i3d s ALA 664 CO 0.00 -0.30 0.42 -1.54 0.00 0.00 0.00 175.76 174.34 3i3d s SER 665 N -0.71 -0.21 0.12 0.00 1.04 -1.26 0.51 113.70 113.20 3i3d s SER 665 Ca -0.01 -0.42 -0.25 0.00 0.48 0.00 0.00 55.95 55.75 3i3d s SER 665 Cb -0.02 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.68 3i3d s SER 665 CO 0.00 -0.90 1.08 -0.83 0.98 0.00 0.00 173.24 173.57 3i3d s GLY 666 N -2.84 -0.14 0.02 7.32 0.00 0.19 -4.98 107.32 106.90 3i3d s GLY 666 Ca 0.06 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.86 3i3d s GLY 666 CO -0.09 1.29 -0.07 -1.83 0.00 0.00 0.00 173.10 172.40 3i3d s GLU 667 N -2.63 0.51 -0.02 2.90 -1.05 -1.26 -0.34 118.70 116.81 3i3d s GLU 667 Ca 0.17 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.52 3i3d s GLU 667 Cb -0.01 -0.40 0.02 0.00 -0.44 0.00 0.00 34.13 33.31 3i3d s GLU 667 CO 0.02 0.09 0.01 0.08 0.95 0.00 0.00 175.26 176.41 3i3d s VAL 668 N -0.73 0.11 0.28 1.83 1.01 0.68 -4.98 120.40 118.60 3i3d s VAL 668 Ca -0.03 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3i3d s VAL 668 Cb -0.06 -0.20 -0.10 0.00 0.00 0.00 0.00 36.38 36.02 3i3d s VAL 668 CO 0.00 0.11 1.44 -2.84 0.00 0.00 0.00 175.10 173.82 3i3d s PRO 669 N 0.88 4.25 -0.15 2.72 0.02 -1.26 -0.49 135.00 140.97 3i3d s PRO 669 Ca -0.08 2.35 -0.16 0.00 0.02 0.00 0.00 61.00 63.12 3i3d s PRO 669 Cb -0.12 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3i3d s PRO 669 CO -0.02 -0.42 0.40 -0.51 -0.33 0.00 0.00 177.00 176.12 3i3d s LEU 670 N -0.77 4.24 -0.41 -5.54 1.43 -1.08 -4.82 118.68 111.72 3i3d s LEU 670 Ca 0.57 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.39 3i3d s LEU 670 Cb -0.43 -2.55 0.22 0.00 0.03 0.00 0.00 46.19 43.46 3i3d s LEU 670 CO 0.47 0.02 0.47 -0.67 0.23 0.00 0.00 176.35 176.87 3i3d n ASP 671 N 3.78 0.14 -4.32 2.29 2.03 -1.26 -4.70 116.55 114.51 3i3d n ASP 671 Ca -0.09 -2.62 -0.32 0.00 0.52 0.00 0.00 54.79 52.28 3i3d n ASP 671 Cb 0.52 -0.61 -0.15 0.00 -0.72 0.00 0.00 41.12 40.15 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 -0.82 2.42 0.62 5.18 0.11 -1.26 -4.92 120.40 121.74 3i3d s VAL 672 Ca 0.34 -0.93 -0.13 0.00 -2.93 0.00 0.00 61.98 58.33 3i3d s VAL 672 Cb 0.12 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.03 3i3d s VAL 672 CO -0.14 0.57 1.05 0.00 -3.33 0.00 0.00 175.10 173.24 3i3d s ALA 673 N -0.18 2.79 0.21 1.54 0.00 -1.26 -2.03 121.76 122.84 3i3d s ALA 673 Ca -0.02 0.20 -0.32 0.00 0.00 0.00 0.00 51.96 51.82 3i3d s ALA 673 Cb -0.14 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 3i3d s ALA 673 CO 0.04 -0.88 1.36 -0.35 0.00 0.00 0.00 175.76 175.92 3i3d n PRO 674 N -2.46 1.80 -1.34 0.00 -0.04 -1.22 0.62 135.00 132.36 3i3d n PRO 674 Ca 0.08 0.64 -0.12 0.00 -0.04 0.00 0.00 63.50 64.06 3i3d n PRO 674 Cb 0.53 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.67 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 2.09 -1.66 -2.44 0.54 6.02 -0.54 -4.94 117.38 116.45 3i3d n GLN 675 Ca 0.13 0.91 -0.16 0.00 -0.01 0.00 0.00 57.00 57.87 3i3d n GLN 675 Cb 0.29 -5.30 0.06 0.00 1.02 0.00 0.00 30.24 26.32 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 0.14 1.61 3.22 1.08 0.00 0.20 -4.76 105.19 106.69 3i3d n GLY 676 Ca -0.12 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.58 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 -4.19 0.97 -0.02 1.61 1.02 -1.26 -1.03 119.74 116.84 3i3d s LYS 677 Ca 0.49 -1.24 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 3i3d s LYS 677 Cb -0.04 -0.74 0.02 0.00 -0.52 0.00 0.00 37.83 36.56 3i3d s LYS 677 CO 0.31 0.13 0.04 -1.14 -0.92 0.00 0.00 175.35 173.78 3i3d s GLN 678 N -2.86 0.01 -0.21 1.68 0.74 0.13 -4.82 119.66 114.33 3i3d s GLN 678 Ca 0.09 0.15 -0.08 0.00 0.05 0.00 0.00 55.36 55.56 3i3d s GLN 678 Cb -0.03 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 3i3d s GLN 678 CO 0.02 -0.10 0.09 -0.51 -0.55 0.00 0.00 175.29 174.23 3i3d s LEU 679 N 0.64 3.82 -0.19 3.68 1.43 -1.26 -0.53 118.68 126.27 3i3d s LEU 679 Ca -0.05 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3i3d s LEU 679 Cb -0.07 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.17 3i3d s LEU 679 CO -0.02 0.12 -0.17 -0.63 0.23 0.00 0.00 176.35 175.88 3i3d s ILE 680 N 0.72 2.27 -0.34 -0.59 1.01 0.26 -4.97 121.20 119.56 3i3d s ILE 680 Ca 0.04 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 3i3d s ILE 680 Cb -0.13 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 3i3d s ILE 680 CO 0.02 0.49 0.61 -0.70 0.00 0.00 0.00 174.94 175.36 3i3d s GLU 681 N 1.31 3.72 0.18 2.79 2.56 -1.26 -0.64 118.70 127.36 3i3d s GLU 681 Ca 0.04 0.07 -0.30 0.00 0.00 0.00 0.00 54.97 54.79 3i3d s GLU 681 Cb -0.14 -3.79 -0.08 0.00 2.00 0.00 0.00 34.13 32.13 3i3d s GLU 681 CO -0.11 -0.68 1.02 -0.51 -0.56 0.00 0.00 175.26 174.41 3i3d s LEU 682 N 2.63 4.54 1.09 2.70 1.43 0.18 -5.01 118.68 126.24 3i3d s LEU 682 Ca 0.24 1.98 -0.13 0.00 -1.03 0.00 0.00 54.13 55.19 3i3d s LEU 682 Cb -0.15 -3.60 0.24 0.00 0.03 0.00 0.00 46.19 42.71 3i3d s LEU 682 CO 0.14 -0.07 1.06 -2.16 0.23 0.00 0.00 176.35 175.55 3i3d s PRO 683 N -0.56 -0.31 -0.04 1.29 0.04 -1.26 -4.87 135.00 129.29 3i3d s PRO 683 Ca 0.46 0.71 -0.33 0.00 0.04 0.00 0.00 61.00 61.88 3i3d s PRO 683 Cb -0.27 -1.64 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 3i3d s PRO 683 CO 0.33 -3.28 1.90 0.39 0.04 0.00 0.00 177.00 176.39 3i3d n GLU 684 N -4.59 2.41 -3.21 4.56 1.02 -1.26 -4.94 120.64 114.63 3i3d n GLU 684 Ca 0.04 0.88 -0.39 0.00 -0.02 0.00 0.00 57.16 57.68 3i3d n GLU 684 Cb 0.55 -2.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.16 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 4.06 4.28 0.95 -4.62 1.43 -1.26 -5.05 118.68 118.46 3i3d s LEU 685 Ca 0.91 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 3i3d s LEU 685 Cb -0.61 -2.83 0.11 0.00 0.03 0.00 0.00 46.19 42.88 3i3d s LEU 685 CO 0.48 -0.06 0.80 -0.81 0.23 0.00 0.00 176.35 176.99 3i3d n PRO 686 N 3.82 -0.51 -2.99 1.29 -0.04 -1.26 -4.95 135.00 130.36 3i3d n PRO 686 Ca -0.05 -0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 62.91 3i3d n PRO 686 Cb 0.51 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 3i3d n PRO 686 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i3d s GLN 687 N -4.18 4.32 0.19 0.54 -1.52 -1.26 -5.02 119.66 112.74 3i3d s GLN 687 Ca 0.62 0.89 -0.31 0.00 -1.95 0.00 0.00 55.36 54.61 3i3d s GLN 687 Cb -0.22 -3.54 -0.10 0.00 -0.22 0.00 0.00 33.01 28.93 3i3d s GLN 687 CO 0.63 -0.19 1.56 -1.25 -0.25 0.00 0.00 175.29 175.79 3i3d s PRO 688 N 1.69 4.21 -0.03 2.91 0.04 -1.26 -4.94 135.00 137.61 3i3d s PRO 688 Ca 0.36 2.39 -0.05 0.00 0.04 0.00 0.00 61.00 63.74 3i3d s PRO 688 Cb -0.17 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 3i3d s PRO 688 CO 0.14 -0.59 0.33 0.93 0.04 0.00 0.00 177.00 177.84 3i3d h GLU 689 N 6.39 -0.17 -7.33 4.56 4.39 -2.03 -3.46 114.58 116.93 3i3d h GLU 689 Ca -0.43 0.01 -0.50 0.00 0.34 0.00 0.00 59.36 58.78 3i3d h GLU 689 Cb 1.21 0.04 0.14 0.00 -0.10 0.00 0.00 28.75 30.03 3i3d h GLU 689 CO 0.89 -0.11 0.29 0.45 -1.16 0.00 0.00 179.01 179.36 3i3d s SER 690 N -3.97 4.01 0.91 1.42 0.15 -1.26 -5.04 113.70 109.92 3i3d s SER 690 Ca -0.03 1.64 -0.13 0.00 0.70 0.00 0.00 55.95 58.14 3i3d s SER 690 Cb 0.00 -2.33 0.14 0.00 -1.71 0.00 0.00 66.02 62.12 3i3d s SER 690 CO 0.08 -2.32 1.15 0.00 1.20 0.00 0.00 173.24 173.34 3i3d s ALA 691 N -2.93 1.83 0.00 5.45 0.00 -1.26 -4.93 121.76 119.92 3i3d s ALA 691 Ca 0.62 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3i3d s ALA 691 Cb -0.17 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3i3d s ALA 691 CO 0.56 -2.28 0.00 0.41 0.00 0.00 0.00 175.76 174.45 3i3d n GLY 692 N -2.33 0.90 3.47 0.00 0.00 0.19 -4.94 105.19 102.49 3i3d n GLY 692 Ca 0.07 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 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 3.68 0.09 1.61 2.00 -1.26 -0.60 119.66 124.09 3i3d s GLN 693 Ca 0.00 -0.49 -0.24 0.00 -2.00 0.00 0.00 55.36 52.63 3i3d s GLN 693 Cb 0.00 -3.16 -0.06 0.00 0.80 0.00 0.00 33.01 30.58 3i3d s GLN 693 CO 0.00 -0.01 0.74 -0.51 -0.50 0.00 0.00 175.29 175.01 3i3d s LEU 694 N 1.08 4.51 -0.01 3.68 1.43 -0.51 -2.27 118.68 126.59 3i3d s LEU 694 Ca 0.03 1.49 0.05 0.00 -1.03 0.00 0.00 54.13 54.67 3i3d s LEU 694 Cb -0.14 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 3i3d s LEU 694 CO 0.02 0.12 -0.17 0.26 0.23 0.00 0.00 176.35 176.81 3i3d s TRP 695 N -0.57 1.50 -0.18 0.29 0.52 0.12 -0.34 118.94 120.28 3i3d s TRP 695 Ca 0.36 -0.28 -0.05 0.00 0.02 0.00 0.00 56.10 56.15 3i3d s TRP 695 Cb -0.21 -0.96 -0.03 0.00 -1.15 0.00 0.00 33.47 31.12 3i3d s TRP 695 CO 0.23 -0.02 -0.01 -1.17 0.02 0.00 0.00 176.95 176.00 3i3d s LEU 696 N -0.40 3.27 -0.10 2.99 2.96 0.36 -1.43 118.68 126.33 3i3d s LEU 696 Ca 0.06 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 3i3d s LEU 696 Cb -0.06 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.82 3i3d s LEU 696 CO -0.01 0.11 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.08 3i3d s THR 697 N 0.73 1.56 0.09 3.68 2.01 -0.01 -0.94 115.64 122.77 3i3d s THR 697 Ca -0.00 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.39 3i3d s THR 697 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 3i3d s THR 697 CO 0.02 0.45 -0.24 0.68 -0.69 0.00 0.00 174.62 174.84 3i3d s VAL 698 N 0.81 1.96 -0.07 3.82 -7.23 -0.48 -0.53 120.40 118.69 3i3d s VAL 698 Ca -0.10 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 3i3d s VAL 698 Cb -0.16 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.07 3i3d s VAL 698 CO 0.01 0.12 0.24 0.00 -0.31 0.00 0.00 175.10 175.16 3i3d s ARG 699 N -1.69 0.39 -0.20 4.82 1.70 0.47 -1.67 118.95 122.77 3i3d s ARG 699 Ca 0.10 0.14 -0.16 0.00 -0.47 0.00 0.00 55.73 55.33 3i3d s ARG 699 Cb -0.10 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 3i3d s ARG 699 CO 0.04 -0.07 0.42 0.08 -1.08 0.00 0.00 175.30 174.69 3i3d s VAL 700 N -0.36 5.18 -0.05 4.99 1.01 0.37 -0.62 120.40 130.93 3i3d s VAL 700 Ca -0.05 0.76 0.05 0.00 0.00 0.00 0.00 61.98 62.74 3i3d s VAL 700 Cb -0.03 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3i3d s VAL 700 CO 0.01 0.24 -0.20 -0.69 0.00 0.00 0.00 175.10 174.47 3i3d s VAL 701 N 1.32 2.58 -0.52 2.92 1.01 0.17 -1.80 120.40 126.08 3i3d s VAL 701 Ca 0.20 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3i3d s VAL 701 Cb -0.15 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.36 3i3d s VAL 701 CO 0.08 0.58 0.51 -1.10 0.00 0.00 0.00 175.10 175.17 3i3d s GLN 702 N -0.49 3.01 0.23 2.72 -0.21 -0.11 0.31 119.66 125.11 3i3d s GLN 702 Ca 0.06 -1.46 -0.06 0.00 0.02 0.00 0.00 55.36 53.92 3i3d s GLN 702 Cb -0.12 -4.22 0.37 0.00 1.00 0.00 0.00 33.01 30.05 3i3d s GLN 702 CO 0.01 -1.26 1.75 -1.35 -2.12 0.00 0.00 175.29 172.32 3i3d h PRO 703 N 8.90 0.46 -5.95 2.91 0.11 -1.89 0.43 132.00 136.97 3i3d h PRO 703 Ca -0.29 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.17 3i3d h PRO 703 Cb 1.10 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 3i3d h PRO 703 CO 0.99 0.30 -0.39 -0.80 -0.21 0.00 0.00 178.00 177.90 3i3d s ASN 704 N -5.40 6.47 0.71 -2.05 0.01 -1.26 -3.50 114.94 109.92 3i3d s ASN 704 Ca -0.13 0.52 -0.12 0.00 -0.71 0.00 0.00 52.86 52.42 3i3d s ASN 704 Cb 0.19 -2.07 0.02 0.00 0.41 0.00 0.00 41.25 39.80 3i3d s ASN 704 CO 0.76 0.21 1.09 0.00 -1.51 0.00 0.00 177.10 177.64 3i3d s ALA 705 N -1.39 2.44 0.18 0.60 0.00 -1.26 -4.47 121.76 117.86 3i3d s ALA 705 Ca 0.31 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.61 3i3d s ALA 705 Cb -0.13 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3i3d s ALA 705 CO 0.19 -1.43 0.08 0.25 0.00 0.00 0.00 175.76 174.85 3i3d n THR 706 N -2.99 0.00 0.25 0.00 -2.24 0.14 -4.91 114.28 104.53 3i3d n THR 706 Ca 0.09 -1.10 0.12 0.00 -2.27 0.00 0.00 64.05 60.90 3i3d n THR 706 Cb 0.53 0.43 0.59 0.00 -2.10 0.00 0.00 70.33 69.78 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 1.35 1.07 -0.00 6.98 0.00 -2.00 -3.22 119.26 123.45 3i3d h ALA 707 Ca -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i3d h ALA 707 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i3d h ALA 707 CO 0.21 0.19 -0.03 -2.67 0.00 0.00 0.00 179.25 176.95 3i3d n TRP 708 N -3.38 0.00 -3.84 0.00 4.27 -1.26 -5.05 117.44 108.18 3i3d n TRP 708 Ca -0.00 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.50 3i3d n TRP 708 Cb 0.35 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.21 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 -0.49 0.01 0.53 -0.67 1.04 -1.22 -4.67 113.70 108.24 3i3d s SER 709 Ca 0.04 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 3i3d s SER 709 Cb 0.03 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.43 3i3d s SER 709 CO 0.06 -0.51 0.80 -1.61 0.98 0.00 0.00 173.24 172.96 3i3d s GLU 710 N -2.23 2.94 0.37 4.02 2.02 -1.26 0.24 118.70 124.80 3i3d s GLU 710 Ca -0.08 -0.26 -0.28 0.00 0.02 0.00 0.00 54.97 54.37 3i3d s GLU 710 Cb -0.03 -2.40 -0.11 0.00 0.10 0.00 0.00 34.13 31.69 3i3d s GLU 710 CO -0.02 -0.53 1.48 0.00 0.02 0.00 0.00 175.26 176.21 3i3d s ALA 711 N -2.80 3.58 0.00 5.21 0.00 -1.26 -2.25 121.76 124.23 3i3d s ALA 711 Ca 0.52 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.04 3i3d s ALA 711 Cb -0.10 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3i3d s ALA 711 CO 0.42 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3i3d n GLY 712 N 0.58 0.77 3.69 0.00 0.00 0.15 -4.93 105.19 105.44 3i3d n GLY 712 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.33 2.39 -3.37 1.61 -0.00 -0.96 -4.58 115.22 107.99 3i3d n HIS 713 Ca 0.00 0.28 -0.39 0.00 0.46 0.00 0.00 57.72 58.07 3i3d n HIS 713 Cb 0.00 -2.54 -0.09 0.00 -0.12 0.00 0.00 29.99 27.24 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 0.52 5.16 -0.20 3.57 1.01 -1.26 -0.94 121.20 129.06 3i3d s ILE 714 Ca 0.73 0.62 0.18 0.00 0.00 0.00 0.00 60.65 62.18 3i3d s ILE 714 Cb -0.62 -3.72 -0.26 0.00 0.01 0.00 0.00 42.46 37.87 3i3d s ILE 714 CO 0.42 0.15 0.47 -1.54 0.00 0.00 0.00 174.94 174.45 3i3d n SER 715 N 5.30 0.85 -3.47 3.58 3.41 -0.74 -5.03 113.62 117.51 3i3d n SER 715 Ca -0.08 -0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.24 3i3d n SER 715 Cb 0.51 1.65 -0.02 0.00 -0.26 0.00 0.00 64.21 66.09 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 -3.13 -1.74 0.16 7.33 0.00 -1.25 -4.70 121.76 118.44 3i3d s ALA 716 Ca -0.04 0.82 -0.24 0.00 0.00 0.00 0.00 51.96 52.50 3i3d s ALA 716 Cb 0.12 0.58 0.06 0.00 0.00 0.00 0.00 23.12 23.88 3i3d s ALA 716 CO 0.75 -0.71 0.77 1.67 0.00 0.00 0.00 175.76 178.24 3i3d s TRP 717 N -3.32 -0.30 -0.14 0.00 -2.14 -1.26 -0.48 118.94 111.29 3i3d s TRP 717 Ca 0.03 0.01 -0.30 0.00 2.66 0.00 0.00 56.10 58.50 3i3d s TRP 717 Cb -0.01 0.62 0.11 0.00 -3.10 0.00 0.00 33.47 31.09 3i3d s TRP 717 CO -0.10 -0.91 0.88 -1.14 -2.66 0.00 0.00 176.95 173.03 3i3d s GLN 718 N -3.58 0.75 0.16 3.25 2.00 -0.67 -4.99 119.66 116.58 3i3d s GLN 718 Ca 0.07 0.28 0.08 0.00 -2.00 0.00 0.00 55.36 53.79 3i3d s GLN 718 Cb -0.03 0.35 -0.04 0.00 0.80 0.00 0.00 33.01 34.10 3i3d s GLN 718 CO -0.03 -0.21 -0.17 -0.65 -0.50 0.00 0.00 175.29 173.73 3i3d s GLN 719 N -0.91 1.22 -0.04 1.67 -0.21 -1.26 -1.38 119.66 118.76 3i3d s GLN 719 Ca -0.04 -1.38 -0.08 0.00 0.02 0.00 0.00 55.36 53.88 3i3d s GLN 719 Cb -0.01 -1.21 0.01 0.00 1.00 0.00 0.00 33.01 32.81 3i3d s GLN 719 CO 0.03 0.24 0.18 -1.58 -2.12 0.00 0.00 175.29 172.05 3i3d s TRP 720 N -2.16 -0.12 -0.04 0.91 0.51 -0.12 -4.98 118.94 112.94 3i3d s TRP 720 Ca 0.15 0.26 -0.25 0.00 -2.12 0.00 0.00 56.10 54.13 3i3d s TRP 720 Cb -0.05 0.03 -0.04 0.00 -0.81 0.00 0.00 33.47 32.60 3i3d s TRP 720 CO 0.06 -0.20 0.77 1.03 -0.51 0.00 0.00 176.95 178.09 3i3d s ARG 721 N -0.59 4.47 0.00 4.98 0.52 -1.26 -0.49 118.95 126.58 3i3d s ARG 721 Ca -0.07 1.01 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 3i3d s ARG 721 Cb -0.04 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.99 3i3d s ARG 721 CO 0.01 0.06 0.00 1.28 0.02 0.00 0.00 175.30 176.67 3i3d n LEU 722 N 3.72 0.00 -4.75 2.53 4.77 0.54 -4.92 117.00 118.90 3i3d n LEU 722 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 3i3d n LEU 722 Cb 0.51 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 3i3d n LEU 722 CO 0.48 0.00 0.96 0.00 -1.33 0.00 0.00 177.39 177.50 3i3d s ALA 723 N -2.87 2.75 -0.05 -1.18 0.00 -1.26 -4.66 121.76 114.50 3i3d s ALA 723 Ca 0.00 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.27 3i3d s ALA 723 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3i3d s ALA 723 CO 0.00 -1.36 -0.13 -2.00 0.00 0.00 0.00 175.76 172.27 3i3d s GLU 724 N -2.98 1.52 -0.31 0.00 2.12 -1.26 -1.42 118.70 116.36 3i3d s GLU 724 Ca 0.73 -0.45 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 3i3d s GLU 724 Cb -0.39 -1.32 0.05 0.00 0.26 0.00 0.00 34.13 32.74 3i3d s GLU 724 CO 0.45 0.13 0.03 -0.80 -0.54 0.00 0.00 175.26 174.53 3i3d s ASN 725 N 0.32 4.97 0.32 -1.70 0.01 0.23 -4.97 114.94 114.13 3i3d s ASN 725 Ca -0.08 -1.33 -0.29 0.00 -0.71 0.00 0.00 52.86 50.46 3i3d s ASN 725 Cb -0.12 -1.74 -0.10 0.00 0.41 0.00 0.00 41.25 39.69 3i3d s ASN 725 CO 0.02 -0.29 1.28 -0.76 -1.51 0.00 0.00 177.10 175.84 3i3d s LEU 726 N 1.26 4.45 -0.26 0.60 1.43 -1.26 -0.64 118.68 124.25 3i3d s LEU 726 Ca -0.03 2.62 -0.28 0.00 -1.03 0.00 0.00 54.13 55.40 3i3d s LEU 726 Cb -0.20 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.38 3i3d s LEU 726 CO -0.01 -0.47 1.01 -0.55 0.23 0.00 0.00 176.35 176.55 3i3d s SER 727 N -0.53 6.99 -0.09 2.29 0.15 -1.26 -4.87 113.70 116.39 3i3d s SER 727 Ca 0.48 1.20 0.08 0.00 0.70 0.00 0.00 55.95 58.42 3i3d s SER 727 Cb -0.39 -2.52 -0.11 0.00 -1.71 0.00 0.00 66.02 61.29 3i3d s SER 727 CO 0.51 -0.70 0.03 1.33 1.20 0.00 0.00 173.24 175.61 3i3d n VAL 728 N 5.47 0.60 -1.77 4.45 0.24 -1.26 -5.02 118.33 121.05 3i3d n VAL 728 Ca 0.11 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.34 61.62 3i3d n VAL 728 Cb 0.47 -0.75 -0.01 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.22 2.03 -0.05 3.34 -4.23 -1.26 -4.99 115.64 108.26 3i3d s THR 729 Ca -0.04 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 3i3d s THR 729 Cb 0.03 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 3i3d s THR 729 CO 0.36 0.00 0.30 -0.76 -0.54 0.00 0.00 174.62 173.99 3i3d s LEU 730 N -0.83 4.44 0.54 4.79 1.02 -1.26 -5.08 118.68 122.29 3i3d s LEU 730 Ca 0.61 0.76 -0.19 0.00 0.02 0.00 0.00 54.13 55.34 3i3d s LEU 730 Cb -0.48 -2.39 -0.06 0.00 0.02 0.00 0.00 46.19 43.28 3i3d s LEU 730 CO 0.51 0.36 1.08 -2.16 0.02 0.00 0.00 176.35 176.16 3i3d s PRO 731 N -1.09 3.49 0.04 1.29 0.04 -1.26 -4.94 135.00 132.58 3i3d s PRO 731 Ca 0.21 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 3i3d s PRO 731 Cb -0.15 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 3i3d s PRO 731 CO 0.10 -0.70 1.92 0.00 0.04 0.00 0.00 177.00 178.36 3i3d s ALA 732 N -2.01 3.61 0.45 8.56 0.00 -1.26 -4.91 121.76 126.20 3i3d s ALA 732 Ca 0.69 1.31 -0.24 0.00 0.00 0.00 0.00 51.96 53.71 3i3d s ALA 732 Cb -0.19 -3.82 -0.09 0.00 0.00 0.00 0.00 23.12 19.01 3i3d s ALA 732 CO 0.27 -1.50 1.17 0.00 0.00 0.00 0.00 175.76 175.70 3i3d n ALA 733 N 7.19 0.89 -1.98 0.00 0.00 -1.26 -4.96 120.51 120.38 3i3d n ALA 733 Ca 0.19 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.49 3i3d n ALA 733 Cb 0.41 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 3i3d n ALA 733 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3d s SER 734 N -0.69 7.16 0.19 0.00 0.15 -1.26 -4.97 113.70 114.28 3i3d s SER 734 Ca 0.64 1.57 0.02 0.00 0.70 0.00 0.00 55.95 58.88 3i3d s SER 734 Cb -0.51 -2.48 0.10 0.00 -1.71 0.00 0.00 66.02 61.42 3i3d s SER 734 CO 0.56 -0.01 1.45 0.45 1.20 0.00 0.00 173.24 176.90 3i3d h HIS 735 N 3.32 0.35 -3.97 3.44 3.86 -1.93 -3.45 115.15 116.77 3i3d h HIS 735 Ca -0.47 -0.16 -0.51 0.00 -1.16 0.00 0.00 60.37 58.06 3i3d h HIS 735 Cb 1.19 -0.05 0.06 0.00 1.06 0.00 0.00 27.41 29.68 3i3d h HIS 735 CO 0.63 0.91 0.52 0.00 0.86 0.00 0.00 177.93 180.84 3i3d s ALA 736 N -3.48 3.08 -0.07 2.45 0.00 -1.26 -5.05 121.76 117.43 3i3d s ALA 736 Ca -0.04 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.94 3i3d s ALA 736 Cb 0.11 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3i3d s ALA 736 CO 0.82 -0.66 -0.09 0.42 0.00 0.00 0.00 175.76 176.25 3i3d s ILE 737 N -1.44 0.97 0.71 0.00 1.01 -1.26 -3.93 121.20 117.25 3i3d s ILE 737 Ca 0.60 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 3i3d s ILE 737 Cb -0.31 -0.93 0.03 0.00 0.01 0.00 0.00 42.46 41.25 3i3d s ILE 737 CO 0.39 0.33 1.22 -2.16 0.00 0.00 0.00 174.94 174.72 3i3d s PRO 738 N 1.02 2.26 -0.06 2.79 0.04 -1.26 -4.95 135.00 134.83 3i3d s PRO 738 Ca -0.08 1.81 0.05 0.00 0.04 0.00 0.00 61.00 62.82 3i3d s PRO 738 Cb -0.15 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3i3d s PRO 738 CO -0.00 -1.76 -0.21 -1.58 0.04 0.00 0.00 177.00 173.49 3i3d s HIS 739 N -1.87 2.55 -0.23 0.56 2.46 -0.47 -4.82 115.29 113.47 3i3d s HIS 739 Ca 0.76 -0.53 -0.10 0.00 0.47 0.00 0.00 55.06 55.66 3i3d s HIS 739 Cb -0.30 -1.63 -0.05 0.00 -0.13 0.00 0.00 32.58 30.47 3i3d s HIS 739 CO 0.44 -0.09 0.14 -1.17 -2.47 0.00 0.00 174.74 171.59 3i3d s LEU 740 N -0.29 4.00 -0.29 8.88 2.96 -1.26 -1.37 118.68 131.30 3i3d s LEU 740 Ca 0.01 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3i3d s LEU 740 Cb -0.13 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.53 3i3d s LEU 740 CO 0.03 0.06 0.02 -0.89 -1.32 0.00 0.00 176.35 174.25 3i3d s THR 741 N 1.05 3.27 -0.13 3.68 2.01 0.37 -4.98 115.64 120.91 3i3d s THR 741 Ca 0.07 -1.14 -0.10 0.00 0.31 0.00 0.00 61.69 60.83 3i3d s THR 741 Cb -0.14 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 3i3d s THR 741 CO 0.04 -0.02 0.19 -0.89 -0.69 0.00 0.00 174.62 173.26 3i3d s THR 742 N 1.34 5.39 0.25 -0.82 2.01 -1.26 -1.43 115.64 121.12 3i3d s THR 742 Ca -0.02 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.33 3i3d s THR 742 Cb -0.19 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3i3d s THR 742 CO -0.01 0.53 0.14 -0.94 -0.69 0.00 0.00 174.62 173.66 3i3d s SER 743 N -0.45 0.92 0.19 3.53 1.04 -0.28 -5.02 113.70 113.63 3i3d s SER 743 Ca 0.14 -1.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.01 3i3d s SER 743 Cb -0.12 0.33 0.12 0.00 0.10 0.00 0.00 66.02 66.45 3i3d s SER 743 CO 0.04 -0.84 1.81 -0.33 0.98 0.00 0.00 173.24 174.90 3i3d h GLU 744 N 2.41 0.96 0.00 4.02 4.39 -2.03 -3.16 114.58 121.17 3i3d h GLU 744 Ca -0.35 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3i3d h GLU 744 Cb 1.25 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3i3d h GLU 744 CO 0.54 0.72 -0.87 -1.33 -1.16 0.00 0.00 179.01 176.90 3i3d n MET 745 N -4.51 0.10 -3.91 2.33 2.81 -1.26 -4.82 117.12 107.87 3i3d n MET 745 Ca 0.06 -0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.85 3i3d n MET 745 Cb 0.08 -1.53 -0.06 0.00 -0.71 0.00 0.00 33.22 31.00 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 -3.31 -0.00 -0.24 7.83 1.01 -1.20 -0.73 116.67 120.03 3i3d s ASP 746 Ca 0.07 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 52.56 3i3d s ASP 746 Cb 0.16 0.45 0.06 0.00 1.01 0.00 0.00 42.92 44.60 3i3d s ASP 746 CO 0.80 -0.90 -0.03 -0.36 0.21 0.00 0.00 175.17 174.89 3i3d s PHE 747 N -3.94 2.28 -0.07 4.23 2.99 -0.55 -1.13 117.98 121.80 3i3d s PHE 747 Ca 0.14 -1.72 0.01 0.00 0.00 0.00 0.00 56.93 55.36 3i3d s PHE 747 Cb 0.03 -1.59 -0.03 0.00 0.00 0.00 0.00 43.02 41.43 3i3d s PHE 747 CO -0.02 -0.77 -0.07 0.00 -0.00 0.00 0.00 175.22 174.36 3i3d s ILE 749 N -0.81 1.88 -0.08 0.00 1.01 0.39 -0.47 121.20 123.12 3i3d s ILE 749 Ca 0.12 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3i3d s ILE 749 Cb -0.11 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 3i3d s ILE 749 CO 0.01 0.51 -0.12 -1.61 0.00 0.00 0.00 174.94 173.74 3i3d s GLU 750 N 1.01 2.82 -0.41 2.79 8.01 -0.47 -0.15 118.70 132.31 3i3d s GLU 750 Ca -0.03 -0.66 0.04 0.00 0.01 0.00 0.00 54.97 54.32 3i3d s GLU 750 Cb -0.15 -2.50 0.17 0.00 -4.31 0.00 0.00 34.13 27.34 3i3d s GLU 750 CO -0.05 0.51 0.34 -1.17 0.01 0.00 0.00 175.26 174.90 3i3d s LEU 751 N -0.42 1.14 0.00 1.80 2.96 0.13 -1.36 118.68 122.93 3i3d s LEU 751 Ca 0.05 -2.83 0.00 0.00 -0.22 0.00 0.00 54.13 51.13 3i3d s LEU 751 Cb -0.12 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.29 3i3d s LEU 751 CO 0.02 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 3i3d n GLY 752 N 3.06 2.32 0.21 7.98 0.00 -1.26 -2.06 105.19 115.44 3i3d n GLY 752 Ca 0.26 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 10.11 0.74 -4.63 1.61 6.94 -1.26 -4.88 115.26 123.89 3i3d n ASN 753 Ca 0.00 -0.91 -0.33 0.00 -0.02 0.00 0.00 54.58 53.32 3i3d n ASN 753 Cb 0.00 -0.01 -0.10 0.00 -2.36 0.00 0.00 39.78 37.31 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 -2.29 2.72 0.01 -3.83 1.02 -0.87 0.69 119.74 117.18 3i3d s LYS 754 Ca 0.33 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.73 3i3d s LYS 754 Cb 0.20 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 3i3d s LYS 754 CO 0.43 0.64 -0.04 1.03 -0.92 0.00 0.00 175.35 176.49 3i3d s ARG 755 N -1.22 0.34 -0.07 1.68 0.52 -0.77 0.19 118.95 119.63 3i3d s ARG 755 Ca 0.16 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 3i3d s ARG 755 Cb -0.11 -0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.14 3i3d s ARG 755 CO 0.06 0.05 -0.18 -1.58 0.02 0.00 0.00 175.30 173.67 3i3d s TRP 756 N -0.59 1.92 -0.18 -0.53 0.51 0.79 -1.00 118.94 119.86 3i3d s TRP 756 Ca -0.04 -0.70 0.01 0.00 -2.12 0.00 0.00 56.10 53.25 3i3d s TRP 756 Cb -0.05 -1.32 0.02 0.00 -0.81 0.00 0.00 33.47 31.31 3i3d s TRP 756 CO -0.00 -0.30 -0.19 -1.14 -0.51 0.00 0.00 176.95 174.82 3i3d s GLN 757 N 0.38 2.85 -0.26 4.98 0.74 0.16 -0.46 119.66 128.04 3i3d s GLN 757 Ca -0.13 -0.83 -0.06 0.00 0.05 0.00 0.00 55.36 54.38 3i3d s GLN 757 Cb -0.15 -2.54 -0.00 0.00 1.10 0.00 0.00 33.01 31.41 3i3d s GLN 757 CO 0.05 -0.24 0.04 -0.06 -0.55 0.00 0.00 175.29 174.53 3i3d s PHE 758 N 1.30 3.08 -0.14 1.67 0.40 -0.17 -0.61 117.98 123.52 3i3d s PHE 758 Ca 0.04 -0.85 -0.29 0.00 -0.60 0.00 0.00 56.93 55.23 3i3d s PHE 758 Cb -0.13 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 3i3d s PHE 758 CO -0.12 -0.52 1.46 1.21 0.70 0.00 0.00 175.22 177.95 3i3d s ASN 759 N 1.52 6.75 0.16 1.36 3.84 -0.59 -1.48 114.94 126.49 3i3d s ASN 759 Ca 0.04 1.87 0.23 0.00 0.21 0.00 0.00 52.86 55.21 3i3d s ASN 759 Cb -0.16 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.90 3i3d s ASN 759 CO 0.01 -0.91 1.71 0.54 -2.79 0.00 0.00 177.10 175.66 3i3d n ARG 760 N 6.99 0.14 -0.01 0.43 1.74 0.09 0.16 116.66 126.21 3i3d n ARG 760 Ca 0.16 0.28 -0.15 0.00 -0.77 0.00 0.00 57.85 57.36 3i3d n ARG 760 Cb 0.44 -1.73 -0.14 0.00 -1.02 0.00 0.00 32.46 30.01 3i3d n ARG 760 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i3d n GLN 761 N -1.99 0.70 -0.04 5.56 7.27 -1.26 -4.39 117.38 123.24 3i3d n GLN 761 Ca 0.04 0.28 -0.13 0.00 0.07 0.00 0.00 57.00 57.26 3i3d n GLN 761 Cb 0.28 -1.75 -0.14 0.00 2.41 0.00 0.00 30.24 31.04 3i3d n GLN 761 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3i3d n SER 762 N -3.28 1.12 0.00 1.69 3.41 -1.16 -4.83 113.62 110.57 3i3d n SER 762 Ca -0.25 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i3d n SER 762 Cb 1.05 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 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 1.75 0.61 3.54 5.00 0.00 0.12 -4.75 105.19 111.46 3i3d n GLY 763 Ca -0.26 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 2.45 -0.42 1.61 0.40 -1.23 -4.92 117.98 113.86 3i3d s PHE 764 Ca 0.00 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 55.75 3i3d s PHE 764 Cb 0.00 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.46 3i3d s PHE 764 CO 0.00 0.68 1.43 -1.17 0.70 0.00 0.00 175.22 176.86 3i3d s LEU 765 N -3.58 3.56 0.12 -0.37 2.96 -1.26 -1.54 118.68 118.57 3i3d s LEU 765 Ca 0.31 0.79 0.22 0.00 -0.22 0.00 0.00 54.13 55.24 3i3d s LEU 765 Cb -0.05 -3.50 -0.10 0.00 0.50 0.00 0.00 46.19 43.04 3i3d s LEU 765 CO 0.17 -1.48 0.87 -1.54 -1.32 0.00 0.00 176.35 173.05 3i3d n SER 766 N 8.98 0.56 -3.53 3.68 3.41 0.22 -1.45 113.62 125.49 3i3d n SER 766 Ca 0.16 0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.80 3i3d n SER 766 Cb 0.48 0.96 -0.05 0.00 -0.26 0.00 0.00 64.21 65.34 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 -3.40 0.92 0.03 4.33 2.00 -1.15 -4.47 119.66 117.93 3i3d s GLN 767 Ca -0.02 0.13 0.02 0.00 -2.00 0.00 0.00 55.36 53.48 3i3d s GLN 767 Cb 0.11 0.43 -0.02 0.00 0.80 0.00 0.00 33.01 34.34 3i3d s GLN 767 CO 0.83 -0.31 -0.07 -1.64 -0.50 0.00 0.00 175.29 173.60 3i3d s MET 768 N -1.50 0.48 0.02 1.67 -1.94 -1.26 -0.67 119.30 116.10 3i3d s MET 768 Ca -0.06 -0.63 0.02 0.00 -1.71 0.00 0.00 55.69 53.32 3i3d s MET 768 Cb -0.00 -0.28 -0.01 0.00 2.01 0.00 0.00 34.83 36.55 3i3d s MET 768 CO 0.04 0.05 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.45 3i3d s TRP 769 N -1.13 0.64 -0.34 -0.03 0.51 -0.17 -0.50 118.94 117.92 3i3d s TRP 769 Ca -0.08 -0.27 0.00 0.00 -2.12 0.00 0.00 56.10 53.63 3i3d s TRP 769 Cb -0.08 -0.40 0.11 0.00 -0.81 0.00 0.00 33.47 32.29 3i3d s TRP 769 CO 0.00 -0.03 0.12 0.42 -0.51 0.00 0.00 176.95 176.95 3i3d s ILE 770 N -0.67 1.10 0.00 2.03 1.01 -1.03 -1.84 121.20 121.79 3i3d s ILE 770 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.90 3i3d s ILE 770 Cb -0.06 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3i3d s ILE 770 CO 0.00 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 174.83 3i3d n GLY 771 N 4.52 0.32 0.99 6.18 0.00 0.22 -2.88 105.19 114.53 3i3d n GLY 771 Ca 0.01 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.38 3i3d n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i3d n ASP 772 N 6.52 3.33 -4.61 1.61 5.68 -1.26 -4.89 116.55 122.92 3i3d n ASP 772 Ca 0.00 -1.95 -0.40 0.00 -0.50 0.00 0.00 54.79 51.93 3i3d n ASP 772 Cb 0.00 -0.31 -0.07 0.00 -1.14 0.00 0.00 41.12 39.61 3i3d n ASP 772 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3i3d s LYS 773 N -1.11 4.02 0.41 0.11 -0.14 -1.14 -5.05 119.74 116.85 3i3d s LYS 773 Ca 0.35 0.37 -0.25 0.00 -1.36 0.00 0.00 55.97 55.07 3i3d s LYS 773 Cb 0.19 -3.68 -0.08 0.00 -1.68 0.00 0.00 37.83 32.58 3i3d s LYS 773 CO 0.25 -0.44 1.25 -1.59 -0.76 0.00 0.00 175.35 174.06 3i3d s LYS 774 N 2.45 3.95 -0.00 1.68 -2.85 -1.26 -2.45 119.74 121.25 3i3d s LYS 774 Ca 0.24 2.02 0.13 0.00 -1.00 0.00 0.00 55.97 57.36 3i3d s LYS 774 Cb -0.15 -2.69 -0.15 0.00 -2.06 0.00 0.00 37.83 32.78 3i3d s LYS 774 CO 0.10 -0.46 0.47 1.04 0.10 0.00 0.00 175.35 176.60 3i3d n GLN 775 N 0.02 2.21 -4.34 1.78 1.13 0.34 -4.80 117.38 113.73 3i3d n GLN 775 Ca 0.04 -0.03 -0.24 0.00 -1.94 0.00 0.00 57.00 54.83 3i3d n GLN 775 Cb 0.45 -1.15 -0.12 0.00 0.11 0.00 0.00 30.24 29.53 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 -2.93 2.37 -0.04 1.08 1.43 -1.26 -1.73 118.68 117.60 3i3d s LEU 776 Ca 0.02 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.40 3i3d s LEU 776 Cb 0.09 -0.96 -0.09 0.00 0.03 0.00 0.00 46.19 45.26 3i3d s LEU 776 CO 0.53 0.06 0.08 0.18 0.23 0.00 0.00 176.35 177.42 3i3d n LEU 777 N 0.66 0.00 -3.87 1.79 4.77 0.98 -4.67 117.00 116.66 3i3d n LEU 777 Ca -0.16 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.70 3i3d n LEU 777 Cb 0.55 0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.59 3i3d n LEU 777 CO 0.26 0.09 -0.36 -0.89 -1.33 0.00 0.00 177.39 175.16 3i3d s THR 778 N -2.31 0.01 0.85 -5.08 2.01 -1.15 -4.95 115.64 105.02 3i3d s THR 778 Ca -0.03 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 61.84 3i3d s THR 778 Cb 0.03 -0.03 0.05 0.00 0.01 0.00 0.00 72.50 72.56 3i3d s THR 778 CO 0.28 0.01 0.76 -2.65 -0.69 0.00 0.00 174.62 172.33 3i3d n PRO 779 N 3.15 -0.03 -2.81 4.92 -0.02 -1.26 -3.47 135.00 135.48 3i3d n PRO 779 Ca -0.13 0.05 -0.43 0.00 -2.02 0.00 0.00 63.50 60.97 3i3d n PRO 779 Cb 0.59 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.89 3.99 0.15 2.45 2.96 -0.53 -4.46 118.68 120.35 3i3d s LEU 780 Ca 0.65 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.83 3i3d s LEU 780 Cb -0.27 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 3i3d s LEU 780 CO 0.59 -1.02 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.34 3i3d s ARG 781 N 3.74 1.11 0.68 1.98 0.52 -0.84 -4.11 118.95 122.03 3i3d s ARG 781 Ca 0.38 -1.40 -0.15 0.00 -0.52 0.00 0.00 55.73 54.03 3i3d s ARG 781 Cb -0.10 -0.85 0.01 0.00 0.52 0.00 0.00 34.95 34.53 3i3d s ARG 781 CO 0.25 0.14 1.16 -0.51 0.02 0.00 0.00 175.30 176.36 3i3d s ASP 782 N -2.93 4.75 -0.05 0.23 1.11 -1.26 -1.27 116.67 117.24 3i3d s ASP 782 Ca 0.15 2.18 -0.02 0.00 0.18 0.00 0.00 52.55 55.04 3i3d s ASP 782 Cb -0.01 -2.57 0.04 0.00 1.07 0.00 0.00 42.92 41.44 3i3d s ASP 782 CO 0.03 -1.88 0.11 -1.58 1.18 0.00 0.00 175.17 173.02 3i3d s GLN 783 N -3.94 0.04 0.00 8.23 0.74 0.07 -4.79 119.66 120.00 3i3d s GLN 783 Ca 0.71 0.32 0.00 0.00 0.05 0.00 0.00 55.36 56.44 3i3d s GLN 783 Cb -0.25 -0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.64 3i3d s GLN 783 CO 0.42 -0.18 0.93 1.19 -0.55 0.00 0.00 175.29 177.10 3i3d n PHE 784 N 4.31 0.00 -4.43 1.67 3.01 -1.26 -2.33 117.46 118.43 3i3d n PHE 784 Ca -0.25 -0.43 -0.21 0.00 1.01 0.00 0.00 57.45 57.57 3i3d n PHE 784 Cb 0.51 -0.04 -0.11 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 -0.86 1.12 0.01 4.37 -4.23 -1.26 -3.10 115.64 111.69 3i3d s THR 785 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 3i3d s THR 785 Cb 0.00 -2.75 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 3i3d s THR 785 CO 0.00 -0.02 0.13 0.00 -0.54 0.00 0.00 174.62 174.19 3i3d s ARG 786 N -3.91 0.52 -0.02 3.99 1.70 -1.26 -4.77 118.95 115.21 3i3d s ARG 786 Ca 0.36 -0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 3i3d s ARG 786 Cb 0.08 0.21 -0.07 0.00 -0.57 0.00 0.00 34.95 34.60 3i3d s ARG 786 CO 0.15 -0.13 1.91 0.00 -1.08 0.00 0.00 175.30 176.15 3i3d s ALA 787 N -1.76 3.49 0.05 7.88 0.00 -1.26 -4.85 121.76 125.31 3i3d s ALA 787 Ca -0.12 1.15 -0.35 0.00 0.00 0.00 0.00 51.96 52.64 3i3d s ALA 787 Cb -0.06 -3.85 -0.14 0.00 0.00 0.00 0.00 23.12 19.07 3i3d s ALA 787 CO -0.00 -1.68 1.59 -0.35 0.00 0.00 0.00 175.76 175.32 3i3d n PRO 788 N 7.59 1.81 -1.78 0.00 -0.04 -1.26 -1.37 135.00 139.94 3i3d n PRO 788 Ca 0.20 0.65 -0.29 0.00 -0.04 0.00 0.00 63.50 64.02 3i3d n PRO 788 Cb 0.42 -2.40 0.09 0.00 -0.04 0.00 0.00 33.50 31.57 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 1.65 2.49 0.23 1.53 1.43 -1.26 -4.65 118.68 120.10 3i3d s LEU 789 Ca 0.85 0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 54.84 3i3d s LEU 789 Cb -0.79 -3.48 0.34 0.00 0.03 0.00 0.00 46.19 42.29 3i3d s LEU 789 CO 0.45 -1.93 1.81 0.44 0.23 0.00 0.00 176.35 177.35 3i3d h ASP 790 N -1.07 0.62 0.49 2.29 5.19 -1.87 -0.80 116.42 121.27 3i3d h ASP 790 Ca -0.47 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 55.95 3i3d h ASP 790 Cb 1.31 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 3i3d h ASP 790 CO 0.64 0.37 -0.15 0.78 -3.12 0.00 0.00 179.24 177.76 3i3d h ASN 791 N 0.75 0.00 0.75 6.45 2.35 -1.85 0.08 115.58 124.12 3i3d h ASN 791 Ca 0.36 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.92 3i3d h ASN 791 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3i3d h ASN 791 CO -0.23 0.15 -0.90 0.44 -1.65 0.00 0.00 177.43 175.24 3i3d h ASP 792 N 0.00 0.12 0.11 5.81 3.32 -1.47 -3.35 116.42 120.95 3i3d h ASP 792 Ca -0.00 -0.11 -0.22 0.00 0.02 0.00 0.00 57.03 56.72 3i3d h ASP 792 Cb 0.43 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3i3d h ASP 792 CO 0.02 0.95 -1.11 0.40 -1.72 0.00 0.00 179.24 177.79 3i3d h ILE 793 N 0.04 1.24 0.00 0.35 2.04 -0.76 -0.97 117.51 119.44 3i3d h ILE 793 Ca -0.03 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.40 3i3d h ILE 793 Cb 1.56 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.54 3i3d h ILE 793 CO 0.13 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.56 3i3d n GLY 794 N 1.69 2.20 0.49 5.37 0.00 -0.04 -2.64 105.19 112.25 3i3d n GLY 794 Ca -0.21 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 -1.70 1.61 0.24 -1.26 -4.88 118.33 112.35 3i3d n VAL 795 Ca 0.00 -0.25 -0.40 0.00 -2.04 0.00 0.00 64.34 61.64 3i3d n VAL 795 Cb 0.00 0.75 0.02 0.00 -1.47 0.00 0.00 33.84 33.14 3i3d n VAL 795 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3i3d n SER 796 N 0.08 2.38 -4.06 -1.34 2.88 -1.08 -4.89 113.62 107.59 3i3d n SER 796 Ca 0.14 1.07 -0.10 0.00 -1.33 0.00 0.00 58.87 58.65 3i3d n SER 796 Cb 0.41 -1.50 -0.07 0.00 -0.75 0.00 0.00 64.21 62.31 3i3d n SER 796 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3i3d s GLU 797 N -2.32 1.40 0.22 -1.46 2.02 0.13 -4.92 118.70 113.78 3i3d s GLU 797 Ca 0.63 -1.37 -0.07 0.00 0.02 0.00 0.00 54.97 54.18 3i3d s GLU 797 Cb -0.49 0.40 0.18 0.00 0.10 0.00 0.00 34.13 34.32 3i3d s GLU 797 CO 0.56 -0.54 1.80 0.00 0.02 0.00 0.00 175.26 177.10 3i3d h ALA 798 N 2.40 1.08 0.00 5.21 0.00 -2.00 -2.55 119.26 123.40 3i3d h ALA 798 Ca -0.30 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3i3d h ALA 798 Cb 1.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3i3d h ALA 798 CO 0.42 0.67 -0.48 1.79 0.00 0.00 0.00 179.25 181.65 3i3d h THR 799 N 1.18 0.60 -2.62 0.00 1.35 -2.00 -3.40 112.91 108.02 3i3d h THR 799 Ca 0.28 -1.88 -0.59 0.00 -0.55 0.00 0.00 66.41 63.68 3i3d h THR 799 Cb 0.17 2.26 -0.39 0.00 -1.73 0.00 0.00 68.15 68.46 3i3d h THR 799 CO -0.03 0.34 -0.84 -0.13 -0.25 0.00 0.00 175.52 174.61 3i3d s ARG 800 N -3.03 0.69 0.25 4.72 1.81 -1.06 -5.13 118.95 117.20 3i3d s ARG 800 Ca 0.04 -1.49 -0.30 0.00 -1.72 0.00 0.00 55.73 52.26 3i3d s ARG 800 Cb 0.07 -1.46 -0.09 0.00 -0.45 0.00 0.00 34.95 33.02 3i3d s ARG 800 CO 0.74 -1.22 1.03 0.42 -0.68 0.00 0.00 175.30 175.59 3i3d s ILE 801 N 0.88 3.78 -0.47 1.52 1.01 -0.99 -0.69 121.20 126.25 3i3d s ILE 801 Ca 0.19 1.76 -0.05 0.00 0.00 0.00 0.00 60.65 62.56 3i3d s ILE 801 Cb -0.21 -4.12 0.12 0.00 0.01 0.00 0.00 42.46 38.26 3i3d s ILE 801 CO -0.01 0.40 0.29 -0.62 0.00 0.00 0.00 174.94 175.01 3i3d s ASP 802 N -0.89 5.39 0.64 3.58 -1.08 -1.26 -4.89 116.67 118.15 3i3d s ASP 802 Ca 0.44 -2.16 0.32 0.00 -0.52 0.00 0.00 52.55 50.62 3i3d s ASP 802 Cb -0.29 -1.89 1.75 0.00 -1.46 0.00 0.00 42.92 41.03 3i3d s ASP 802 CO 0.37 -0.55 2.04 1.55 0.52 0.00 0.00 175.17 179.09 3i3d h PRO 803 N 7.96 0.00 0.00 4.34 0.13 -1.95 -1.77 132.00 140.71 3i3d h PRO 803 Ca -0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.92 3i3d h PRO 803 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3i3d h PRO 803 CO 0.74 0.00 -0.57 -0.97 -0.23 0.00 0.00 178.00 176.97 3i3d h ASN 804 N 0.00 0.00 -3.98 1.44 -1.24 -1.96 -3.37 115.58 106.47 3i3d h ASN 804 Ca 0.05 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.52 3i3d h ASN 804 Cb 0.59 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.76 3i3d h ASN 804 CO -0.00 0.36 0.73 0.00 -1.29 0.00 0.00 177.43 177.23 3i3d s ALA 805 N -3.05 3.32 0.21 1.57 0.00 -0.67 -4.74 121.76 118.41 3i3d s ALA 805 Ca 0.03 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 3i3d s ALA 805 Cb 0.07 -3.61 0.27 0.00 0.00 0.00 0.00 23.12 19.86 3i3d s ALA 805 CO 0.74 -1.19 1.68 -1.49 0.00 0.00 0.00 175.76 175.50 3i3d h TRP 806 N 2.46 0.04 -0.96 0.00 4.06 -1.79 -1.83 115.95 117.94 3i3d h TRP 806 Ca -0.51 0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.52 3i3d h TRP 806 Cb 1.26 0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 29.44 3i3d h TRP 806 CO 0.51 -0.11 0.63 -0.24 -3.56 0.00 0.00 178.44 175.66 3i3d h VAL 807 N 0.16 1.15 -0.27 1.49 3.04 -1.52 -0.80 116.25 119.50 3i3d h VAL 807 Ca 0.30 -0.41 -0.13 0.00 -1.01 0.00 0.00 66.70 65.45 3i3d h VAL 807 Cb 0.47 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.60 3i3d h VAL 807 CO -0.46 0.22 -0.37 -0.33 -1.01 0.00 0.00 177.57 175.62 3i3d h GLU 808 N 1.19 0.62 -0.45 4.17 4.39 -1.62 -1.13 114.58 121.76 3i3d h GLU 808 Ca 0.39 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 3i3d h GLU 808 Cb 0.04 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3i3d h GLU 808 CO -0.12 0.90 -0.10 0.00 -1.16 0.00 0.00 179.01 178.53 3i3d h ARG 809 N 0.52 0.86 -0.31 2.33 3.08 -0.64 -0.03 114.38 120.19 3i3d h ARG 809 Ca 0.05 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 3i3d h ARG 809 Cb 0.88 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3i3d h ARG 809 CO 0.08 0.96 0.07 -1.49 -1.07 0.00 0.00 179.97 178.51 3i3d h TRP 810 N 0.69 0.54 0.12 3.04 6.55 -1.05 -1.83 115.95 124.00 3i3d h TRP 810 Ca 0.12 -0.07 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 3i3d h TRP 810 Cb 0.63 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.78 3i3d h TRP 810 CO 0.05 0.57 -0.09 0.87 -1.05 0.00 0.00 178.44 178.79 3i3d h LYS 811 N 0.35 -0.21 0.00 0.49 1.57 -1.09 -0.98 116.57 116.70 3i3d h LYS 811 Ca 0.10 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3i3d h LYS 811 Cb 0.31 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3i3d h LYS 811 CO 0.00 -0.14 -0.04 0.00 -0.57 0.00 0.00 179.45 178.71 3i3d h ALA 812 N 0.66 1.87 -0.00 3.86 0.00 -0.95 0.44 119.26 125.14 3i3d h ALA 812 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i3d h ALA 812 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i3d h ALA 812 CO -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.23 3i3d n ALA 813 N -2.50 2.49 -0.76 0.00 0.00 -0.70 -4.91 120.51 114.14 3i3d n ALA 813 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i3d n ALA 813 Cb 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.46 0.58 0.36 0.00 0.00 0.14 -4.83 105.19 102.89 3i3d n GLY 814 Ca 0.08 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 0.93 0.00 1.61 3.86 -1.38 0.52 115.15 120.68 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 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.16 3i3d h HIS 815 CO 0.00 0.52 -0.13 1.88 0.86 0.00 0.00 177.93 181.05 3i3d h TYR 816 N 0.94 0.00 0.00 2.45 -1.99 -1.86 -3.32 116.97 113.19 3i3d h TYR 816 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 3i3d h TYR 816 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 3i3d h TYR 816 CO -0.00 0.00 -1.28 1.04 -0.00 0.00 0.00 178.16 177.92 3i3d n GLN 817 N -2.56 1.10 -1.51 4.88 1.13 -0.70 -5.03 117.38 114.69 3i3d n GLN 817 Ca 0.04 -0.08 -0.50 0.00 -1.94 0.00 0.00 57.00 54.52 3i3d n GLN 817 Cb 0.47 -1.32 -0.04 0.00 0.11 0.00 0.00 30.24 29.46 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 -1.74 -1.99 -2.70 -1.58 0.00 0.17 -4.98 120.51 107.69 3i3d n ALA 818 Ca -0.00 0.48 -0.34 0.00 0.00 0.00 0.00 53.44 53.58 3i3d n ALA 818 Cb 0.34 -1.85 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.57 3.02 -0.06 0.00 2.02 -1.16 -4.91 118.70 117.03 3i3d s GLU 819 Ca 0.73 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.91 3i3d s GLU 819 Cb -0.96 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 30.55 3i3d s GLU 819 CO 0.55 0.56 1.07 0.00 0.02 0.00 0.00 175.26 177.46 3i3d s ALA 820 N -0.52 3.39 -0.20 5.21 0.00 -1.26 -2.85 121.76 125.53 3i3d s ALA 820 Ca 0.08 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 3i3d s ALA 820 Cb -0.12 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3i3d s ALA 820 CO 0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 175.76 175.18 3i3d s ALA 821 N 1.84 2.91 -0.04 0.00 0.00 0.15 -4.92 121.76 121.70 3i3d s ALA 821 Ca 0.52 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 3i3d s ALA 821 Cb -0.21 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 3i3d s ALA 821 CO 0.21 -0.20 1.23 -1.17 0.00 0.00 0.00 175.76 175.84 3i3d s LEU 822 N 1.08 4.29 -0.12 0.00 2.96 -1.26 -0.39 118.68 125.24 3i3d s LEU 822 Ca 0.02 1.87 0.14 0.00 -0.22 0.00 0.00 54.13 55.94 3i3d s LEU 822 Cb -0.15 -3.56 -0.21 0.00 0.50 0.00 0.00 46.19 42.78 3i3d s LEU 822 CO 0.01 -0.60 0.12 0.18 -1.32 0.00 0.00 176.35 174.74 3i3d n LEU 823 N 5.15 0.00 -3.61 -0.68 4.77 0.13 -4.94 117.00 117.82 3i3d n LEU 823 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3i3d n LEU 823 Cb 0.46 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.78 3i3d n LEU 823 CO 0.56 0.30 0.59 -1.58 -1.33 0.00 0.00 177.39 175.93 3i3d s GLN 824 N -2.55 0.70 -0.28 3.23 0.74 -0.97 -4.93 119.66 115.59 3i3d s GLN 824 Ca -0.07 0.66 0.02 0.00 0.05 0.00 0.00 55.36 56.01 3i3d s GLN 824 Cb 0.06 0.34 0.17 0.00 1.10 0.00 0.00 33.01 34.68 3i3d s GLN 824 CO 0.65 -0.12 0.46 0.00 -0.55 0.00 0.00 175.29 175.73 3i3d s THR 826 N 2.64 1.66 -0.04 0.00 -4.23 0.11 -4.99 115.64 110.79 3i3d s THR 826 Ca 0.11 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 3i3d s THR 826 Cb -0.12 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.80 3i3d s THR 826 CO -0.26 -0.52 -0.12 0.00 -0.54 0.00 0.00 174.62 173.17 3i3d s ALA 827 N -2.69 1.17 0.03 3.99 0.00 -1.26 -0.90 121.76 122.10 3i3d s ALA 827 Ca 0.19 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.75 3i3d s ALA 827 Cb -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 3i3d s ALA 827 CO 0.06 0.16 -0.12 -0.51 0.00 0.00 0.00 175.76 175.34 3i3d s ASP 828 N 0.35 1.46 -0.26 0.00 1.01 0.73 -4.99 116.67 114.97 3i3d s ASP 828 Ca -0.08 -0.40 -0.09 0.00 0.71 0.00 0.00 52.55 52.70 3i3d s ASP 828 Cb -0.12 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 3i3d s ASP 828 CO 0.02 0.03 0.13 -0.89 0.21 0.00 0.00 175.17 174.67 3i3d s THR 829 N -0.74 4.80 0.50 -1.27 2.01 -1.26 0.20 115.64 119.87 3i3d s THR 829 Ca 0.01 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.04 3i3d s THR 829 Cb -0.07 -3.26 0.09 0.00 0.01 0.00 0.00 72.50 69.27 3i3d s THR 829 CO 0.01 0.30 0.68 0.18 -0.69 0.00 0.00 174.62 175.10 3i3d n LEU 830 N 4.96 0.00 -0.24 4.42 4.77 0.16 -4.98 117.00 126.10 3i3d n LEU 830 Ca -0.15 -1.78 -0.07 0.00 -0.03 0.00 0.00 56.01 53.98 3i3d n LEU 830 Cb 0.52 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3i3d n LEU 830 CO 0.32 -0.76 0.97 0.00 -1.33 0.00 0.00 177.39 176.59 3i3d h ALA 831 N -0.15 0.86 0.00 -1.18 0.00 -2.03 -3.32 119.26 113.44 3i3d h ALA 831 Ca -0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3i3d h ALA 831 Cb 0.95 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i3d h ALA 831 CO 0.29 0.53 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 3i3d n ASP 832 N -4.35 1.58 -3.57 0.00 5.75 -1.26 -5.06 116.55 109.64 3i3d n ASP 832 Ca 0.04 -1.79 -0.08 0.00 -0.01 0.00 0.00 54.79 52.96 3i3d n ASP 832 Cb 0.21 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.79 -0.92 -0.12 2.12 0.00 -1.25 -3.55 121.76 117.25 3i3d s ALA 833 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3i3d s ALA 833 Cb 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 3i3d s ALA 833 CO 0.00 -1.00 -0.13 0.08 0.00 0.00 0.00 175.76 174.71 3i3d s VAL 834 N -3.41 3.10 -0.23 0.00 1.01 -0.31 0.38 120.40 120.93 3i3d s VAL 834 Ca 0.14 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3i3d s VAL 834 Cb -0.05 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3i3d s VAL 834 CO 0.09 0.53 -0.06 -0.22 0.00 0.00 0.00 175.10 175.44 3i3d s LEU 835 N 0.19 2.95 -0.17 3.92 2.96 0.13 -1.69 118.68 126.98 3i3d s LEU 835 Ca -0.08 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.17 3i3d s LEU 835 Cb -0.15 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3i3d s LEU 835 CO 0.05 -0.06 0.02 -0.63 -1.32 0.00 0.00 176.35 174.41 3i3d s ILE 836 N 1.40 4.45 -0.11 6.68 -1.09 0.02 -0.19 121.20 132.36 3i3d s ILE 836 Ca 0.04 -0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.34 3i3d s ILE 836 Cb -0.15 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 3i3d s ILE 836 CO -0.05 0.48 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.01 3i3d s THR 837 N 0.33 2.06 0.16 2.92 2.01 -0.08 0.45 115.64 123.49 3i3d s THR 837 Ca 0.01 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.02 3i3d s THR 837 Cb -0.13 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 3i3d s THR 837 CO 0.01 0.56 -0.05 0.42 -0.69 0.00 0.00 174.62 174.87 3i3d s THR 838 N 0.41 0.92 -0.19 -0.82 -4.23 -0.17 -0.71 115.64 110.85 3i3d s THR 838 Ca -0.17 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.24 3i3d s THR 838 Cb -0.18 -1.96 0.07 0.00 1.34 0.00 0.00 72.50 71.78 3i3d s THR 838 CO 0.07 -0.64 0.43 0.00 -0.54 0.00 0.00 174.62 173.94 3i3d s ALA 839 N -3.49 -1.14 0.10 3.99 0.00 -0.03 -1.34 121.76 119.86 3i3d s ALA 839 Ca 0.19 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.80 3i3d s ALA 839 Cb 0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3i3d s ALA 839 CO 0.01 -0.42 -0.16 -1.01 0.00 0.00 0.00 175.76 174.18 3i3d s HIS 840 N 1.77 1.48 -0.10 0.00 3.76 -0.11 0.20 115.29 122.29 3i3d s HIS 840 Ca -0.07 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 3i3d s HIS 840 Cb -0.09 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.81 3i3d s HIS 840 CO -0.13 0.15 -0.15 0.00 -0.85 0.00 0.00 174.74 173.76 3i3d s ALA 841 N -1.57 1.65 -0.27 -1.40 0.00 0.48 -0.92 121.76 119.73 3i3d s ALA 841 Ca 0.05 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 3i3d s ALA 841 Cb -0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 3i3d s ALA 841 CO 0.03 -0.07 0.18 -1.58 0.00 0.00 0.00 175.76 174.33 3i3d s TRP 842 N 0.98 3.23 0.23 0.00 0.51 0.28 0.29 118.94 124.45 3i3d s TRP 842 Ca -0.07 0.11 0.07 0.00 -2.12 0.00 0.00 56.10 54.09 3i3d s TRP 842 Cb -0.15 -2.36 -0.05 0.00 -0.81 0.00 0.00 33.47 30.10 3i3d s TRP 842 CO -0.01 -0.14 -0.10 -0.65 -0.51 0.00 0.00 176.95 175.54 3i3d s GLN 843 N 1.68 1.38 -0.21 4.98 -0.21 -1.13 0.19 119.66 126.34 3i3d s GLN 843 Ca 0.07 -1.65 -0.04 0.00 0.02 0.00 0.00 55.36 53.76 3i3d s GLN 843 Cb -0.16 -1.04 0.11 0.00 1.00 0.00 0.00 33.01 32.92 3i3d s GLN 843 CO 0.10 0.10 0.32 -1.58 -2.12 0.00 0.00 175.29 172.11 3i3d s HIS 844 N -3.06 -0.61 -1.21 0.91 2.46 0.10 -3.01 115.29 110.87 3i3d s HIS 844 Ca 0.25 0.79 -0.11 0.00 0.47 0.00 0.00 55.06 56.45 3i3d s HIS 844 Cb 0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 32.58 32.40 3i3d s HIS 844 CO 0.08 -0.60 0.73 1.04 -2.47 0.00 0.00 174.74 173.53 3i3d n GLN 845 N 5.35 -2.54 -0.84 2.88 6.02 -1.26 -1.61 117.38 125.38 3i3d n GLN 845 Ca -0.05 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 3i3d n GLN 845 Cb 0.50 -4.65 0.00 0.00 1.02 0.00 0.00 30.24 27.11 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 -1.64 0.60 3.46 1.08 0.00 -1.26 -4.99 105.19 102.44 3i3d n GLY 846 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.41 3.67 -0.41 1.61 2.47 -0.63 -5.06 119.74 120.97 3i3d s LYS 847 Ca 0.00 -0.48 -0.27 0.00 -1.56 0.00 0.00 55.97 53.66 3i3d s LYS 847 Cb 0.00 -3.23 0.02 0.00 -1.46 0.00 0.00 37.83 33.16 3i3d s LYS 847 CO 0.00 -0.08 0.99 0.99 0.16 0.00 0.00 175.35 177.40 3i3d s THR 848 N 1.30 4.47 -0.14 3.43 2.01 -1.26 -0.72 115.64 124.73 3i3d s THR 848 Ca 0.05 1.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.99 3i3d s THR 848 Cb -0.15 -4.43 -0.16 0.00 0.01 0.00 0.00 72.50 67.77 3i3d s THR 848 CO 0.03 -0.71 0.42 -0.07 -0.69 0.00 0.00 174.62 173.59 3i3d h LEU 849 N 10.45 0.00 -8.25 4.42 3.38 -0.62 -3.42 115.31 121.27 3i3d h LEU 849 Ca -0.23 -0.59 -0.24 0.00 0.09 0.00 0.00 57.88 56.91 3i3d h LEU 849 Cb 1.07 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 3i3d h LEU 849 CO 1.03 0.92 -0.72 -0.36 0.09 0.00 0.00 178.44 179.41 3i3d s PHE 850 N -2.06 0.72 -0.08 1.13 0.08 -1.16 -1.60 117.98 115.00 3i3d s PHE 850 Ca -0.15 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.24 3i3d s PHE 850 Cb -0.01 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 3i3d s PHE 850 CO 0.46 -0.13 -0.08 0.42 -0.10 0.00 0.00 175.22 175.79 3i3d s ILE 851 N -2.28 0.95 -0.20 0.64 1.01 -0.50 -0.55 121.20 120.26 3i3d s ILE 851 Ca -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 3i3d s ILE 851 Cb -0.04 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.51 3i3d s ILE 851 CO -0.02 0.33 -0.11 -0.55 0.00 0.00 0.00 174.94 174.59 3i3d s SER 852 N 1.16 3.83 -0.19 3.58 0.15 -0.09 -0.71 113.70 121.42 3i3d s SER 852 Ca -0.06 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.08 3i3d s SER 852 Cb -0.14 -1.63 -0.01 0.00 -1.71 0.00 0.00 66.02 62.53 3i3d s SER 852 CO -0.02 -0.00 -0.09 -0.13 1.20 0.00 0.00 173.24 174.20 3i3d s ARG 853 N 1.35 3.33 0.16 5.44 0.52 -0.05 -0.93 118.95 128.77 3i3d s ARG 853 Ca 0.05 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 3i3d s ARG 853 Cb -0.14 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.43 3i3d s ARG 853 CO -0.06 -0.09 -0.08 0.15 0.02 0.00 0.00 175.30 175.24 3i3d s LYS 854 N 1.16 1.08 -0.01 3.54 1.02 -0.45 -0.91 119.74 125.17 3i3d s LYS 854 Ca 0.01 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.53 3i3d s LYS 854 Cb -0.14 -0.57 0.01 0.00 -0.52 0.00 0.00 37.83 36.61 3i3d s LYS 854 CO -0.02 0.03 -0.00 0.95 -0.92 0.00 0.00 175.35 175.39 3i3d s THR 855 N -3.38 0.10 -0.20 2.17 -4.23 -0.94 -1.00 115.64 108.16 3i3d s THR 855 Ca 0.18 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 3i3d s THR 855 Cb 0.03 -0.15 0.01 0.00 1.34 0.00 0.00 72.50 73.73 3i3d s THR 855 CO 0.01 0.08 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.73 3i3d s TYR 856 N 0.49 2.87 -0.31 3.99 1.51 0.17 -1.67 117.35 124.41 3i3d s TYR 856 Ca -0.04 -1.40 -0.01 0.00 -1.01 0.00 0.00 57.07 54.60 3i3d s TYR 856 Cb -0.07 -2.00 0.06 0.00 -0.11 0.00 0.00 41.96 39.85 3i3d s TYR 856 CO -0.01 -0.71 0.01 0.50 -1.11 0.00 0.00 175.55 174.22 3i3d s ARG 857 N 1.36 2.31 -0.26 -0.62 3.52 0.35 -0.80 118.95 124.80 3i3d s ARG 857 Ca 0.05 -1.37 -0.09 0.00 -0.13 0.00 0.00 55.73 54.19 3i3d s ARG 857 Cb -0.14 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 3i3d s ARG 857 CO -0.09 -0.67 0.11 0.42 -0.81 0.00 0.00 175.30 174.26 3i3d s ILE 858 N 1.20 4.66 0.48 4.11 1.01 -0.68 -0.72 121.20 131.26 3i3d s ILE 858 Ca -0.04 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.60 3i3d s ILE 858 Cb -0.20 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.12 3i3d s ILE 858 CO -0.02 0.31 0.36 -0.90 0.00 0.00 0.00 174.94 174.69 3i3d n ASP 859 N 4.94 2.52 0.23 3.58 5.68 -1.12 -1.16 116.55 131.21 3i3d n ASP 859 Ca -0.15 -2.64 0.16 0.00 -0.50 0.00 0.00 54.79 51.66 3i3d n ASP 859 Cb 0.52 -0.04 0.79 0.00 -1.14 0.00 0.00 41.12 41.24 3i3d n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3i3d h GLY 860 N 0.56 0.00 1.85 6.12 0.00 -1.68 -1.86 103.07 108.06 3i3d h GLY 860 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3i3d h GLY 860 CO 0.47 0.00 -0.03 -1.14 0.00 0.00 0.00 176.54 175.84 3i3d n SER 861 N -2.61 0.04 0.00 0.19 3.41 -1.26 -4.75 113.62 108.63 3i3d n SER 861 Ca -0.01 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3i3d n SER 861 Cb 0.11 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.45 0.75 3.80 5.00 0.00 -0.70 -4.99 105.19 110.51 3i3d n GLY 862 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.44 4.11 -0.29 1.61 -0.21 -1.26 -4.67 119.66 118.51 3i3d s GLN 863 Ca 0.00 0.54 -0.06 0.00 0.02 0.00 0.00 55.36 55.86 3i3d s GLN 863 Cb 0.00 -3.27 0.02 0.00 1.00 0.00 0.00 33.01 30.75 3i3d s GLN 863 CO 0.00 0.56 0.06 1.41 -2.12 0.00 0.00 175.29 175.20 3i3d s MET 864 N -0.72 2.98 -0.32 2.91 -2.45 0.12 -2.81 119.30 119.02 3i3d s MET 864 Ca 0.26 -0.92 -0.17 0.00 -1.25 0.00 0.00 55.69 53.61 3i3d s MET 864 Cb -0.17 -3.32 -0.02 0.00 1.25 0.00 0.00 34.83 32.57 3i3d s MET 864 CO 0.15 -0.47 0.48 0.00 1.05 0.00 0.00 175.02 176.23 3i3d s ALA 865 N 1.46 3.52 -0.20 4.11 0.00 0.11 -0.36 121.76 130.39 3i3d s ALA 865 Ca 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 3i3d s ALA 865 Cb -0.17 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3i3d s ALA 865 CO 0.01 -1.01 0.02 0.42 0.00 0.00 0.00 175.76 175.20 3i3d s ILE 866 N 2.29 4.10 -0.13 0.00 1.01 0.16 -0.50 121.20 128.14 3i3d s ILE 866 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 3i3d s ILE 866 Cb -0.16 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 3i3d s ILE 866 CO 0.12 0.42 -0.13 -0.89 0.00 0.00 0.00 174.94 174.46 3i3d s THR 867 N 0.97 3.04 -0.07 2.92 2.01 -0.67 -0.40 115.64 123.44 3i3d s THR 867 Ca 0.02 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.38 3i3d s THR 867 Cb -0.14 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.10 3i3d s THR 867 CO 0.02 0.52 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.62 3i3d s VAL 868 N 0.36 1.43 -0.16 3.82 1.01 0.12 -2.20 120.40 124.78 3i3d s VAL 868 Ca -0.11 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 3i3d s VAL 868 Cb -0.16 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.00 3i3d s VAL 868 CO 0.06 0.42 -0.06 -1.81 0.00 0.00 0.00 175.10 173.70 3i3d s ASP 869 N 0.47 2.78 -0.04 3.32 1.01 -0.08 -1.78 116.67 122.35 3i3d s ASP 869 Ca -0.14 -0.63 0.04 0.00 0.71 0.00 0.00 52.55 52.53 3i3d s ASP 869 Cb -0.16 -0.94 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 3i3d s ASP 869 CO 0.05 -0.17 -0.13 -0.69 0.21 0.00 0.00 175.17 174.44 3i3d s VAL 870 N 1.62 3.15 -0.13 -1.27 1.01 0.24 -0.87 120.40 124.15 3i3d s VAL 870 Ca 0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3i3d s VAL 870 Cb -0.15 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3i3d s VAL 870 CO -0.08 0.55 -0.10 -1.61 0.00 0.00 0.00 175.10 173.86 3i3d s GLU 871 N -0.87 3.39 -0.16 2.72 2.02 0.11 -0.91 118.70 125.01 3i3d s GLU 871 Ca 0.12 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3i3d s GLU 871 Cb -0.11 -2.69 0.02 0.00 0.10 0.00 0.00 34.13 31.45 3i3d s GLU 871 CO 0.02 0.26 -0.19 0.08 0.02 0.00 0.00 175.26 175.45 3i3d s VAL 872 N 0.25 1.96 0.01 2.63 1.01 0.13 -1.41 120.40 124.98 3i3d s VAL 872 Ca -0.07 -0.89 -0.36 0.00 0.00 0.00 0.00 61.98 60.67 3i3d s VAL 872 Cb -0.15 -1.77 -0.14 0.00 0.00 0.00 0.00 36.38 34.32 3i3d s VAL 872 CO 0.05 0.52 1.62 0.00 0.00 0.00 0.00 175.10 177.29 3i3d n ALA 873 N 4.50 0.45 0.31 5.51 0.00 -0.62 -4.60 120.51 126.05 3i3d n ALA 873 Ca -0.20 0.41 0.19 0.00 0.00 0.00 0.00 53.44 53.84 3i3d n ALA 873 Cb 0.50 -2.30 1.03 0.00 0.00 0.00 0.00 19.45 18.68 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 6.63 0.00 -0.69 0.00 4.64 -1.93 -2.28 113.55 119.92 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 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 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 -3.46 3.93 -4.81 4.97 5.75 -1.26 -4.88 116.55 116.79 3i3d n ASP 875 Ca -0.02 -2.08 -0.32 0.00 -0.01 0.00 0.00 54.79 52.35 3i3d n ASP 875 Cb 0.13 -0.49 -0.06 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.21 4.82 0.37 2.12 -1.32 -0.86 -5.05 115.64 114.50 3i3d s THR 876 Ca 0.47 -0.46 -0.27 0.00 -1.21 0.00 0.00 61.69 60.22 3i3d s THR 876 Cb 0.26 -3.25 -0.11 0.00 -1.51 0.00 0.00 72.50 67.89 3i3d s THR 876 CO 0.30 0.28 1.26 -0.81 -2.21 0.00 0.00 174.62 173.44 3i3d n PRO 877 N 0.91 2.00 -1.67 7.08 -0.04 -1.26 -4.83 135.00 137.18 3i3d n PRO 877 Ca -0.11 0.70 -0.46 0.00 -0.04 0.00 0.00 63.50 63.60 3i3d n PRO 877 Cb 0.52 -2.31 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.11 2.31 -2.07 0.54 8.25 -1.26 -4.92 115.22 118.18 3i3d n HIS 878 Ca 0.06 0.24 -0.36 0.00 -0.26 0.00 0.00 57.72 57.40 3i3d n HIS 878 Cb 0.37 -2.56 0.02 0.00 1.12 0.00 0.00 29.99 28.95 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 1.01 3.19 0.50 -0.41 0.04 -1.26 -4.86 135.00 133.21 3i3d s PRO 879 Ca 0.79 1.83 0.26 0.00 0.04 0.00 0.00 61.00 63.91 3i3d s PRO 879 Cb -0.67 -2.06 1.30 0.00 0.04 0.00 0.00 34.50 33.11 3i3d s PRO 879 CO 0.38 -1.03 2.01 0.00 0.04 0.00 0.00 177.00 178.39 3i3d h ALA 880 N 1.21 1.23 -2.31 8.56 0.00 -1.90 -3.40 119.26 122.65 3i3d h ALA 880 Ca -0.50 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.38 3i3d h ALA 880 Cb 1.28 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 3i3d h ALA 880 CO 0.57 0.20 0.49 -0.98 0.00 0.00 0.00 179.25 179.52 3i3d s ARG 881 N -4.08 0.89 -0.29 0.00 1.70 -1.23 -0.90 118.95 115.05 3i3d s ARG 881 Ca -0.02 -0.36 -0.02 0.00 -0.47 0.00 0.00 55.73 54.85 3i3d s ARG 881 Cb 0.13 0.39 0.10 0.00 -0.57 0.00 0.00 34.95 34.99 3i3d s ARG 881 CO 0.60 -0.39 0.11 0.42 -1.08 0.00 0.00 175.30 174.96 3i3d s ILE 882 N -3.16 0.42 0.00 4.99 1.01 -0.27 -4.05 121.20 120.14 3i3d s ILE 882 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3i3d s ILE 882 Cb -0.01 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3i3d s ILE 882 CO -0.07 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 174.83 3i3d n GLY 883 N 5.05 2.43 3.39 6.18 0.00 -0.99 0.02 105.19 121.26 3i3d n GLY 883 Ca -0.04 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 2.53 0.00 0.99 1.43 0.11 -0.75 118.68 122.99 3i3d s LEU 884 Ca 0.00 -1.09 -0.24 0.00 -1.03 0.00 0.00 54.13 51.78 3i3d s LEU 884 Cb 0.00 -0.70 0.05 0.00 0.03 0.00 0.00 46.19 45.57 3i3d s LEU 884 CO 0.00 -0.22 0.52 0.54 0.23 0.00 0.00 176.35 177.43 3i3d s ASN 885 N -3.38 -0.45 0.15 2.29 4.22 -0.40 -0.98 114.94 116.38 3i3d s ASN 885 Ca 0.26 0.33 -0.24 0.00 -2.14 0.00 0.00 52.86 51.07 3i3d s ASN 885 Cb 0.01 0.47 0.07 0.00 1.28 0.00 0.00 41.25 43.07 3i3d s ASN 885 CO 0.10 -0.62 0.74 0.00 -2.04 0.00 0.00 177.10 175.27 3i3d s GLN 887 N -3.59 3.07 0.39 0.00 0.74 -1.23 -1.00 119.66 118.04 3i3d s GLN 887 Ca 0.06 -0.88 -0.23 0.00 0.05 0.00 0.00 55.36 54.35 3i3d s GLN 887 Cb -0.02 -3.42 -0.10 0.00 1.10 0.00 0.00 33.01 30.57 3i3d s GLN 887 CO -0.06 -0.47 0.96 -0.51 -0.55 0.00 0.00 175.29 174.67 3i3d s LEU 888 N 1.51 4.12 0.38 3.68 1.43 0.21 -0.02 118.68 129.98 3i3d s LEU 888 Ca 0.02 1.80 0.20 0.00 -1.03 0.00 0.00 54.13 55.13 3i3d s LEU 888 Cb -0.17 -4.29 0.32 0.00 0.03 0.00 0.00 46.19 42.08 3i3d s LEU 888 CO 0.03 -0.28 1.58 0.00 0.23 0.00 0.00 176.35 177.91 3i3d h ALA 889 N 2.46 0.87 -2.59 4.21 0.00 -1.61 0.13 119.26 122.74 3i3d h ALA 889 Ca -0.48 -0.20 -0.48 0.00 0.00 0.00 0.00 54.91 53.75 3i3d h ALA 889 Cb 1.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i3d h ALA 889 CO 0.63 0.27 0.39 -1.14 0.00 0.00 0.00 179.25 179.39 3i3d s GLN 890 N -3.17 4.54 -0.31 0.00 2.00 -1.26 -4.43 119.66 117.03 3i3d s GLN 890 Ca 0.05 1.50 -0.00 0.00 -2.00 0.00 0.00 55.36 54.91 3i3d s GLN 890 Cb 0.07 -2.90 0.10 0.00 0.80 0.00 0.00 33.01 31.08 3i3d s GLN 890 CO 0.69 0.20 0.09 0.08 -0.50 0.00 0.00 175.29 175.85 3i3d s VAL 891 N -1.46 0.97 0.39 1.34 1.01 -1.26 -3.16 120.40 118.23 3i3d s VAL 891 Ca 0.49 -1.45 0.08 0.00 0.00 0.00 0.00 61.98 61.10 3i3d s VAL 891 Cb -0.24 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 3i3d s VAL 891 CO 0.30 -0.66 0.49 0.00 0.00 0.00 0.00 175.10 175.22 3i3d s ALA 892 N 1.57 4.32 -0.10 5.51 0.00 -1.26 -5.05 121.76 126.76 3i3d s ALA 892 Ca 0.10 -1.66 0.15 0.00 0.00 0.00 0.00 51.96 50.55 3i3d s ALA 892 Cb -0.17 -1.48 -0.19 0.00 0.00 0.00 0.00 23.12 21.28 3i3d s ALA 892 CO -0.24 -0.19 0.70 0.39 0.00 0.00 0.00 175.76 176.42 3i3d n GLU 893 N -1.70 0.63 -4.41 0.00 1.02 -1.26 -4.68 120.64 110.24 3i3d n GLU 893 Ca 0.04 0.22 -0.26 0.00 -0.02 0.00 0.00 57.16 57.15 3i3d n GLU 893 Cb 0.59 -1.77 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 3i3d n GLU 893 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i3d s ARG 894 N -2.78 1.71 -0.10 3.49 1.81 -1.26 -0.77 118.95 121.05 3i3d s ARG 894 Ca -0.04 -1.55 -0.01 0.00 -1.72 0.00 0.00 55.73 52.41 3i3d s ARG 894 Cb 0.08 -1.90 0.03 0.00 -0.45 0.00 0.00 34.95 32.71 3i3d s ARG 894 CO 0.82 0.38 -0.05 0.08 -0.68 0.00 0.00 175.30 175.86 3i3d s VAL 895 N -1.97 0.79 -0.13 3.52 1.01 0.82 -4.52 120.40 119.92 3i3d s VAL 895 Ca 0.25 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3i3d s VAL 895 Cb -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3i3d s VAL 895 CO 0.13 0.32 -0.22 0.21 0.00 0.00 0.00 175.10 175.53 3i3d s ASN 896 N 1.80 3.12 0.02 3.32 3.84 -0.78 -0.85 114.94 125.42 3i3d s ASN 896 Ca 0.05 -0.59 -0.09 0.00 0.21 0.00 0.00 52.86 52.45 3i3d s ASN 896 Cb -0.13 -1.44 0.00 0.00 -0.55 0.00 0.00 41.25 39.14 3i3d s ASN 896 CO -0.07 0.11 0.17 -1.66 -2.79 0.00 0.00 177.10 172.86 3i3d s TRP 897 N 0.66 0.06 -0.41 0.43 -2.14 0.18 0.77 118.94 118.48 3i3d s TRP 897 Ca -0.11 -0.23 -0.08 0.00 2.66 0.00 0.00 56.10 58.34 3i3d s TRP 897 Cb -0.16 -0.04 0.08 0.00 -3.10 0.00 0.00 33.47 30.25 3i3d s TRP 897 CO 0.02 -0.37 0.24 -1.17 -2.66 0.00 0.00 176.95 173.00 3i3d s LEU 898 N -1.83 5.11 0.00 -4.66 2.96 0.40 -0.24 118.68 120.42 3i3d s LEU 898 Ca -0.09 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.25 3i3d s LEU 898 Cb -0.03 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.71 3i3d s LEU 898 CO -0.02 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.09 3i3d n GLY 899 N 4.86 -0.83 3.72 7.98 0.00 -0.73 -0.81 105.19 119.37 3i3d n GLY 899 Ca -0.09 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 4.38 0.00 0.99 1.43 -0.86 -2.30 118.68 122.32 3i3d s LEU 900 Ca 0.00 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 3i3d s LEU 900 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3i3d s LEU 900 CO 0.00 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.63 3i3d n GLY 901 N 3.19 1.30 0.16 -3.19 0.00 -0.02 -4.42 105.19 102.21 3i3d n GLY 901 Ca 0.10 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.93 -1.52 132.00 122.89 3i3d h PRO 902 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.41 -0.65 -0.23 0.00 0.00 178.00 177.53 3i3d s GLN 903 N -3.20 3.20 0.18 0.86 -0.21 -1.26 -4.99 119.66 114.24 3i3d s GLN 903 Ca 0.07 0.57 -0.33 0.00 0.02 0.00 0.00 55.36 55.69 3i3d s GLN 903 Cb 0.09 -2.06 -0.15 0.00 1.00 0.00 0.00 33.01 31.89 3i3d s GLN 903 CO 0.68 -0.81 1.37 -1.91 -2.12 0.00 0.00 175.29 172.50 3i3d n GLU 904 N -2.87 1.71 -3.77 2.91 2.13 -1.26 -4.90 120.64 114.58 3i3d n GLU 904 Ca 0.06 0.61 -0.13 0.00 0.66 0.00 0.00 57.16 58.37 3i3d n GLU 904 Cb 0.56 -2.25 -0.10 0.00 0.27 0.00 0.00 31.44 29.92 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 0.37 -0.25 0.29 4.31 2.20 0.41 -4.89 114.94 117.39 3i3d s ASN 905 Ca 0.74 0.36 0.08 0.00 -0.94 0.00 0.00 52.86 53.10 3i3d s ASN 905 Cb -0.75 0.48 -0.06 0.00 -2.00 0.00 0.00 41.25 38.92 3i3d s ASN 905 CO 0.47 -0.25 -0.08 -0.31 -2.94 0.00 0.00 177.10 173.99 3i3d s TYR 906 N -0.50 2.09 0.27 1.54 1.51 -0.82 -3.75 117.35 117.70 3i3d s TYR 906 Ca -0.06 -0.61 -0.06 0.00 -1.01 0.00 0.00 57.07 55.33 3i3d s TYR 906 Cb -0.04 -1.16 0.50 0.00 -0.11 0.00 0.00 41.96 41.15 3i3d s TYR 906 CO 0.02 0.41 1.59 -1.35 -1.11 0.00 0.00 175.55 175.10 3i3d h PRO 907 N 2.22 0.03 -0.61 -1.71 0.11 -1.86 0.25 132.00 130.43 3i3d h PRO 907 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3i3d h PRO 907 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i3d h PRO 907 CO 0.67 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3i3d n ASP 908 N -5.50 3.57 -2.94 -2.05 5.75 -1.26 -4.37 116.55 109.75 3i3d n ASP 908 Ca 0.16 -2.26 -0.15 0.00 -0.01 0.00 0.00 54.79 52.54 3i3d n ASP 908 Cb 0.53 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.89 0.80 0.00 0.11 0.63 0.84 -0.23 116.66 119.70 3i3d n ARG 909 Ca 0.19 -2.43 0.00 0.00 -0.92 0.00 0.00 57.85 54.70 3i3d n ARG 909 Cb 0.65 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 32.21 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 1.30 0.00 0.16 6.15 -0.00 -1.00 -1.94 117.00 121.68 3i3d n LEU 910 Ca 0.14 -0.01 0.04 0.00 -0.00 0.00 0.00 56.01 56.19 3i3d n LEU 910 Cb 0.60 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.47 3i3d n LEU 910 CO 0.10 0.01 0.90 0.71 -0.00 0.00 0.00 177.39 179.11 3i3d h THR 911 N 2.39 1.16 0.00 1.47 1.35 -1.91 -2.42 112.91 114.95 3i3d h THR 911 Ca 0.00 -0.70 -0.12 0.00 -0.55 0.00 0.00 66.41 65.04 3i3d h THR 911 Cb 0.85 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3i3d h THR 911 CO 0.00 0.21 -0.58 0.00 -0.25 0.00 0.00 175.52 174.90 3i3d h ALA 912 N 1.73 0.80 -2.70 6.62 0.00 -1.88 -3.45 119.26 120.38 3i3d h ALA 912 Ca 0.03 -0.53 -0.51 0.00 0.00 0.00 0.00 54.91 53.90 3i3d h ALA 912 Cb 0.34 -0.09 0.08 0.00 0.00 0.00 0.00 17.79 18.12 3i3d h ALA 912 CO 0.02 0.72 0.46 0.00 0.00 0.00 0.00 179.25 180.46 3i3d s ALA 913 N -3.31 2.73 0.10 0.00 0.00 -0.91 -5.01 121.76 115.36 3i3d s ALA 913 Ca 0.01 0.92 0.10 0.00 0.00 0.00 0.00 51.96 52.99 3i3d s ALA 913 Cb 0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3i3d s ALA 913 CO 0.74 -0.86 -0.25 0.00 0.00 0.00 0.00 175.76 175.39 3i3d s PHE 915 N -0.98 3.46 -0.01 0.00 5.36 -1.26 -0.84 117.98 123.71 3i3d s PHE 915 Ca 0.14 1.29 -0.15 0.00 -0.96 0.00 0.00 56.93 57.25 3i3d s PHE 915 Cb -0.10 -3.00 0.05 0.00 -0.34 0.00 0.00 43.02 39.63 3i3d s PHE 915 CO 0.05 -0.18 0.66 -3.47 -1.46 0.00 0.00 175.22 170.83 3i3d n ASP 916 N 4.94 -0.62 -4.56 6.13 -0.08 -0.97 -4.92 116.55 116.47 3i3d n ASP 916 Ca 0.04 -1.13 -0.42 0.00 -1.51 0.00 0.00 54.79 51.77 3i3d n ASP 916 Cb 0.49 0.96 -0.07 0.00 2.34 0.00 0.00 41.12 44.85 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 -2.01 3.57 0.07 -0.67 6.06 -1.26 -1.77 118.95 122.94 3i3d s ARG 917 Ca 0.16 -0.05 0.07 0.00 -2.50 0.00 0.00 55.73 53.41 3i3d s ARG 917 Cb -0.00 -3.85 -0.04 0.00 0.06 0.00 0.00 34.95 31.12 3i3d s ARG 917 CO -0.00 -0.83 -0.13 -1.58 -2.50 0.00 0.00 175.30 170.26 3i3d s TRP 918 N 2.78 2.68 -0.12 5.12 0.52 0.66 -4.97 118.94 125.61 3i3d s TRP 918 Ca 0.24 -0.19 -0.04 0.00 0.02 0.00 0.00 56.10 56.14 3i3d s TRP 918 Cb -0.14 -1.45 0.05 0.00 -1.15 0.00 0.00 33.47 30.78 3i3d s TRP 918 CO 0.16 0.36 0.14 0.34 0.02 0.00 0.00 176.95 177.97 3i3d s ASP 919 N -1.86 1.27 0.10 2.95 3.68 -1.26 -0.64 116.67 120.91 3i3d s ASP 919 Ca 0.18 -0.01 0.02 0.00 2.13 0.00 0.00 52.55 54.87 3i3d s ASP 919 Cb -0.11 0.11 -0.04 0.00 -1.45 0.00 0.00 42.92 41.43 3i3d s ASP 919 CO 0.10 -0.28 -0.07 -0.76 0.13 0.00 0.00 175.17 174.28 3i3d s LEU 920 N 2.24 2.48 0.52 -1.34 1.43 -0.03 -4.96 118.68 119.04 3i3d s LEU 920 Ca 0.04 -0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 51.98 3i3d s LEU 920 Cb -0.14 -0.12 -0.07 0.00 0.03 0.00 0.00 46.19 45.90 3i3d s LEU 920 CO -0.07 -0.42 1.12 -2.16 0.23 0.00 0.00 176.35 175.05 3i3d s PRO 921 N -3.56 3.49 0.42 1.29 0.04 -1.26 -0.13 135.00 135.29 3i3d s PRO 921 Ca 0.10 1.59 0.20 0.00 0.04 0.00 0.00 61.00 62.93 3i3d s PRO 921 Cb 0.03 -2.07 1.15 0.00 0.04 0.00 0.00 34.50 33.65 3i3d s PRO 921 CO -0.03 -0.73 1.78 1.25 0.04 0.00 0.00 177.00 179.30 3i3d h LEU 922 N 1.37 0.39 -1.79 -3.56 5.85 -1.23 -1.66 115.31 114.68 3i3d h LEU 922 Ca -0.50 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 3i3d h LEU 922 Cb 1.25 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3i3d h LEU 922 CO 0.58 0.08 -0.08 0.77 -0.34 0.00 0.00 178.44 179.45 3i3d h SER 923 N 0.35 0.03 0.45 1.25 4.64 -1.90 -1.94 113.55 116.43 3i3d h SER 923 Ca 0.58 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3i3d h SER 923 Cb 1.56 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 3i3d h SER 923 CO -0.25 0.12 0.00 0.47 -0.87 0.00 0.00 176.83 176.29 3i3d n ASP 924 N -4.43 0.00 -0.63 4.97 8.00 -0.63 -2.62 116.55 121.22 3i3d n ASP 924 Ca -0.02 -0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.50 3i3d n ASP 924 Cb 0.17 -0.28 0.35 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.28 1.83 -4.76 -1.24 2.81 -0.73 -4.75 117.12 109.00 3i3d n MET 925 Ca 0.12 -1.24 -0.30 0.00 -1.81 0.00 0.00 57.70 54.47 3i3d n MET 925 Cb 0.19 -1.41 -0.17 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.76 2.19 -0.33 2.03 5.04 -1.08 -4.40 117.35 119.04 3i3d s TYR 926 Ca 0.33 -0.97 -0.12 0.00 -2.44 0.00 0.00 57.07 53.86 3i3d s TYR 926 Cb 0.18 -1.52 -0.02 0.00 0.35 0.00 0.00 41.96 40.95 3i3d s TYR 926 CO 0.27 -0.45 0.23 0.99 -1.34 0.00 0.00 175.55 175.25 3i3d s THR 927 N 0.70 5.27 -0.24 4.34 2.01 -1.26 -4.97 115.64 121.48 3i3d s THR 927 Ca -0.12 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 3i3d s THR 927 Cb -0.16 -3.68 -0.12 0.00 0.01 0.00 0.00 72.50 68.56 3i3d s THR 927 CO 0.03 0.03 2.11 -0.81 -0.69 0.00 0.00 174.62 175.28 3i3d n PRO 928 N 5.10 1.30 -1.71 4.92 -0.04 -1.26 -4.88 135.00 138.42 3i3d n PRO 928 Ca -0.13 -0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 62.14 3i3d n PRO 928 Cb 0.50 -1.94 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 3i3d n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i3d n TYR 929 N 3.16 2.53 -0.29 0.54 4.02 -1.26 -4.85 117.16 121.00 3i3d n TYR 929 Ca 0.28 0.38 0.03 0.00 -0.01 0.00 0.00 57.90 58.57 3i3d n TYR 929 Cb 0.38 -2.52 0.17 0.00 -0.02 0.00 0.00 39.34 37.35 3i3d n TYR 929 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3i3d h VAL 930 N 3.09 0.91 -3.38 -0.72 2.07 -1.97 -3.29 116.25 112.96 3i3d h VAL 930 Ca -0.46 -0.27 -0.71 0.00 0.82 0.00 0.00 66.70 66.07 3i3d h VAL 930 Cb 1.25 0.06 -0.20 0.00 -1.52 0.00 0.00 31.29 30.88 3i3d h VAL 930 CO 0.74 0.14 -0.24 0.12 0.02 0.00 0.00 177.57 178.35 3i3d s PHE 931 N -6.03 3.19 0.52 1.57 5.36 -1.26 -1.42 117.98 119.90 3i3d s PHE 931 Ca -0.12 -0.65 -0.22 0.00 -0.96 0.00 0.00 56.93 54.97 3i3d s PHE 931 Cb 0.19 -3.08 -0.06 0.00 -0.34 0.00 0.00 43.02 39.73 3i3d s PHE 931 CO 0.78 -0.79 1.22 -2.30 -1.46 0.00 0.00 175.22 172.67 3i3d n PRO 932 N 5.49 1.53 -3.89 10.12 -0.02 -1.24 -4.98 135.00 142.01 3i3d n PRO 932 Ca -0.10 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 61.93 3i3d n PRO 932 Cb 0.45 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.56 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 -0.89 -0.01 0.29 2.55 1.04 -1.26 -4.78 113.70 110.64 3i3d s SER 933 Ca 0.69 -0.49 -0.29 0.00 0.48 0.00 0.00 55.95 56.35 3i3d s SER 933 Cb -0.45 0.37 -0.13 0.00 0.10 0.00 0.00 66.02 65.91 3i3d s SER 933 CO 0.51 -0.74 1.16 1.21 0.98 0.00 0.00 173.24 176.36 3i3d n GLU 934 N -0.73 1.68 -3.71 4.02 4.07 -0.47 -4.94 120.64 120.55 3i3d n GLU 934 Ca -0.02 0.59 -0.05 0.00 -0.06 0.00 0.00 57.16 57.62 3i3d n GLU 934 Cb 0.59 -2.07 -0.02 0.00 -0.06 0.00 0.00 31.44 29.89 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 -0.34 -0.24 0.00 4.31 2.20 -1.26 -4.91 114.94 114.70 3i3d s ASN 935 Ca 0.60 -0.34 0.00 0.00 -0.94 0.00 0.00 52.86 52.18 3i3d s ASN 935 Cb -0.66 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.10 3i3d s ASN 935 CO 0.59 -0.91 0.00 0.61 -2.94 0.00 0.00 177.10 174.45 3i3d n GLY 936 N -0.43 0.66 3.72 0.45 0.00 -1.26 -4.82 105.19 103.52 3i3d n GLY 936 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3i3d n GLY 936 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i3d n LEU 937 N 0.00 5.47 -3.88 0.99 7.94 -1.26 -4.56 117.00 121.70 3i3d n LEU 937 Ca 0.00 0.89 -0.21 0.00 -1.11 0.00 0.00 56.01 55.58 3i3d n LEU 937 Cb 0.03 -1.54 -0.17 0.00 0.53 0.00 0.00 43.42 42.28 3i3d n LEU 937 CO 0.00 -0.97 -0.41 -0.13 -1.11 0.00 0.00 177.39 174.77 3i3d s ARG 938 N -3.08 0.85 0.56 1.96 3.00 0.56 -0.44 118.95 122.36 3i3d s ARG 938 Ca 0.77 -0.09 0.09 0.00 0.00 0.00 0.00 55.73 56.50 3i3d s ARG 938 Cb -0.40 -0.91 0.07 0.00 0.00 0.00 0.00 34.95 33.71 3i3d s ARG 938 CO 0.45 -0.12 0.71 0.00 0.00 0.00 0.00 175.30 176.33 3i3d n GLY 940 N -2.13 -0.42 3.72 0.00 0.00 -1.21 -2.03 105.19 103.12 3i3d n GLY 940 Ca 0.12 0.15 -0.37 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 -3.40 5.29 -0.04 2.61 2.01 -0.28 -3.67 115.64 118.18 3i3d s THR 941 Ca 0.60 0.57 0.18 0.00 0.31 0.00 0.00 61.69 63.35 3i3d s THR 941 Cb -0.32 -3.64 -0.28 0.00 0.01 0.00 0.00 72.50 68.26 3i3d s THR 941 CO 0.89 0.37 0.38 0.54 -0.69 0.00 0.00 174.62 176.11 3i3d n ARG 942 N 3.69 0.60 -3.73 4.92 5.12 0.01 -1.17 116.66 126.10 3i3d n ARG 942 Ca -0.11 -0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.53 3i3d n ARG 942 Cb 0.52 -1.44 -0.11 0.00 -1.16 0.00 0.00 32.46 30.26 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 -3.22 0.34 -0.04 5.56 2.12 -1.14 -1.45 118.70 120.87 3i3d s GLU 943 Ca -0.07 0.57 0.02 0.00 0.36 0.00 0.00 54.97 55.85 3i3d s GLU 943 Cb 0.11 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.55 3i3d s GLU 943 CO 0.76 -0.11 -0.10 -1.17 -0.54 0.00 0.00 175.26 174.11 3i3d s LEU 944 N 0.81 1.70 -0.06 2.70 2.96 0.29 -0.45 118.68 126.63 3i3d s LEU 944 Ca -0.05 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 3i3d s LEU 944 Cb -0.06 -0.62 0.00 0.00 0.50 0.00 0.00 46.19 46.01 3i3d s LEU 944 CO -0.06 0.05 -0.16 0.20 -1.32 0.00 0.00 176.35 175.06 3i3d s ASN 945 N 0.37 2.11 -0.24 3.68 0.01 0.23 -0.88 114.94 120.22 3i3d s ASN 945 Ca -0.07 -0.36 -0.04 0.00 -0.71 0.00 0.00 52.86 51.69 3i3d s ASN 945 Cb -0.11 -0.82 0.13 0.00 0.41 0.00 0.00 41.25 40.86 3i3d s ASN 945 CO 0.01 0.10 0.42 -0.47 -1.51 0.00 0.00 177.10 175.65 3i3d s TYR 946 N 0.37 -0.93 0.00 2.20 5.04 -0.75 -1.87 117.35 121.41 3i3d s TYR 946 Ca -0.11 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 3i3d s TYR 946 Cb -0.14 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.34 3i3d s TYR 946 CO 0.04 -0.68 0.00 0.41 -1.34 0.00 0.00 175.55 173.98 3i3d n GLY 947 N 5.38 3.93 0.26 8.97 0.00 -1.26 -1.15 105.19 121.32 3i3d n GLY 947 Ca -0.05 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 1.12 -3.65 1.61 -0.04 -1.26 -4.80 135.00 141.98 3i3d n PRO 948 Ca 0.00 -0.52 -0.32 0.00 -0.04 0.00 0.00 63.50 62.62 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 -2.24 3.50 -0.07 0.54 3.76 -0.30 -2.24 115.29 118.24 3i3d s HIS 949 Ca 0.34 0.61 -0.03 0.00 -0.15 0.00 0.00 55.06 55.84 3i3d s HIS 949 Cb 0.20 -2.04 0.04 0.00 1.11 0.00 0.00 32.58 31.89 3i3d s HIS 949 CO 0.42 0.45 0.15 -1.14 -0.85 0.00 0.00 174.74 173.77 3i3d s GLN 950 N -2.46 0.08 -0.11 1.40 0.74 -0.52 -1.81 119.66 116.97 3i3d s GLN 950 Ca 0.39 0.40 0.03 0.00 0.05 0.00 0.00 55.36 56.23 3i3d s GLN 950 Cb -0.12 -0.20 0.00 0.00 1.10 0.00 0.00 33.01 33.79 3i3d s GLN 950 CO 0.23 -0.19 -0.22 -1.58 -0.55 0.00 0.00 175.29 172.98 3i3d s TRP 951 N 1.37 2.62 0.09 1.67 0.51 -0.06 -1.71 118.94 123.43 3i3d s TRP 951 Ca -0.07 -1.06 0.10 0.00 -2.12 0.00 0.00 56.10 52.94 3i3d s TRP 951 Cb -0.12 -1.76 -0.03 0.00 -0.81 0.00 0.00 33.47 30.75 3i3d s TRP 951 CO -0.06 -0.44 -0.25 1.03 -0.51 0.00 0.00 176.95 176.72 3i3d s ARG 952 N 0.47 1.49 0.00 4.98 0.52 -0.39 -0.54 118.95 125.47 3i3d s ARG 952 Ca -0.15 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 3i3d s ARG 952 Cb -0.17 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.48 3i3d s ARG 952 CO 0.06 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.24 3i3d n GLY 953 N 1.32 -0.34 2.75 -3.53 0.00 -0.53 -1.02 105.19 103.84 3i3d n GLY 953 Ca -0.18 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 0.32 0.35 1.61 2.15 -1.23 -4.01 116.67 111.86 3i3d s ASP 954 Ca 0.00 -1.80 0.06 0.00 0.43 0.00 0.00 52.55 51.25 3i3d s ASP 954 Cb 0.00 0.83 -0.02 0.00 -0.30 0.00 0.00 42.92 43.43 3i3d s ASP 954 CO 0.00 -0.19 0.23 2.22 -0.17 0.00 0.00 175.17 177.26 3i3d n PHE 955 N 3.73 -0.44 -4.38 -5.34 1.16 -0.32 -4.89 117.46 106.98 3i3d n PHE 955 Ca 0.16 -2.65 -0.25 0.00 -1.87 0.00 0.00 57.45 52.84 3i3d n PHE 955 Cb 0.49 0.18 -0.09 0.00 -1.61 0.00 0.00 39.48 38.45 3i3d n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3i3d s GLN 956 N -3.38 1.90 0.04 3.97 -1.52 0.00 -1.13 119.66 119.54 3i3d s GLN 956 Ca 0.32 -1.54 -0.27 0.00 -1.95 0.00 0.00 55.36 51.92 3i3d s GLN 956 Cb 0.02 -1.97 0.09 0.00 -0.22 0.00 0.00 33.01 30.93 3i3d s GLN 956 CO 0.23 0.37 0.79 -0.59 -0.25 0.00 0.00 175.29 175.84 3i3d s PHE 957 N -2.19 -0.42 0.03 0.91 -0.12 -0.22 -0.46 117.98 115.52 3i3d s PHE 957 Ca 0.28 0.30 -0.04 0.00 -0.05 0.00 0.00 56.93 57.42 3i3d s PHE 957 Cb -0.07 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.85 3i3d s PHE 957 CO 0.16 -0.64 0.06 0.54 -0.05 0.00 0.00 175.22 175.29 3i3d s ASN 958 N -2.46 0.23 -0.18 1.98 2.20 -0.81 -0.32 114.94 115.57 3i3d s ASN 958 Ca 0.03 -0.57 -0.09 0.00 -0.94 0.00 0.00 52.86 51.28 3i3d s ASN 958 Cb -0.01 0.20 0.06 0.00 -2.00 0.00 0.00 41.25 39.50 3i3d s ASN 958 CO -0.09 -0.47 0.42 -0.51 -2.94 0.00 0.00 177.10 173.51 3i3d s ILE 959 N -2.50 -0.12 0.20 0.54 2.07 -1.26 -1.66 121.20 118.47 3i3d s ILE 959 Ca -0.06 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.15 3i3d s ILE 959 Cb -0.02 -0.64 0.05 0.00 0.13 0.00 0.00 42.46 41.98 3i3d s ILE 959 CO -0.04 0.04 0.66 -1.54 -1.91 0.00 0.00 174.94 172.15 3i3d n SER 960 N 4.44 -1.42 -0.68 4.50 3.41 -0.57 -4.63 113.62 118.67 3i3d n SER 960 Ca -0.21 -1.87 0.09 0.00 -0.26 0.00 0.00 58.87 56.62 3i3d n SER 960 Cb 0.54 2.34 0.28 0.00 -0.26 0.00 0.00 64.21 67.11 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 -0.45 1.88 -4.41 4.33 5.12 -1.26 0.29 116.66 122.16 3i3d n ARG 961 Ca -0.04 -1.34 -0.33 0.00 -1.93 0.00 0.00 57.85 54.21 3i3d n ARG 961 Cb 0.42 -1.37 -0.16 0.00 -1.16 0.00 0.00 32.46 30.19 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 -1.63 2.73 0.77 -1.55 1.51 -1.26 -0.73 117.35 117.20 3i3d s TYR 962 Ca 0.31 -1.43 -0.11 0.00 -1.01 0.00 0.00 57.07 54.83 3i3d s TYR 962 Cb 0.16 -1.87 0.06 0.00 -0.11 0.00 0.00 41.96 40.20 3i3d s TYR 962 CO 0.23 -0.68 1.09 -1.54 -1.11 0.00 0.00 175.55 173.54 3i3d s SER 963 N 1.03 4.55 0.37 2.29 1.04 -1.26 -4.86 113.70 116.86 3i3d s SER 963 Ca -0.01 1.73 0.06 0.00 0.48 0.00 0.00 55.95 58.20 3i3d s SER 963 Cb -0.14 -2.46 0.71 0.00 0.10 0.00 0.00 66.02 64.22 3i3d s SER 963 CO -0.06 -1.99 1.94 1.56 0.98 0.00 0.00 173.24 175.67 3i3d h GLN 964 N -1.10 0.52 0.04 4.02 1.08 -1.99 -2.31 115.11 115.36 3i3d h GLN 964 Ca -0.44 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 56.68 3i3d h GLN 964 Cb 1.23 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3i3d h GLN 964 CO 0.53 0.47 -0.02 0.37 -0.95 0.00 0.00 178.83 179.23 3i3d h GLN 965 N 0.51 -0.05 -0.39 1.46 4.15 -1.98 0.67 115.11 119.49 3i3d h GLN 965 Ca 0.12 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 3i3d h GLN 965 Cb 0.19 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3i3d h GLN 965 CO -0.00 0.02 0.23 0.37 -1.93 0.00 0.00 178.83 177.52 3i3d h GLN 966 N -0.11 0.54 -0.71 1.69 4.15 -1.87 -0.03 115.11 118.78 3i3d h GLN 966 Ca -0.00 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.42 3i3d h GLN 966 Cb 0.09 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 3i3d h GLN 966 CO 0.01 0.41 0.47 -0.07 -1.93 0.00 0.00 178.83 177.71 3i3d h LEU 967 N 0.51 0.68 -0.61 -2.39 3.38 -1.23 0.50 115.31 116.15 3i3d h LEU 967 Ca 0.14 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 3i3d h LEU 967 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3i3d h LEU 967 CO -0.03 0.45 -0.55 -0.03 0.09 0.00 0.00 178.44 178.38 3i3d h MET 968 N 0.78 0.00 -0.01 1.13 4.05 -0.16 -3.26 114.93 117.45 3i3d h MET 968 Ca 0.30 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 3i3d h MET 968 Cb 0.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3i3d h MET 968 CO -0.09 0.55 -0.62 0.39 0.23 0.00 0.00 176.91 177.37 3i3d n GLU 969 N -3.53 0.92 -3.72 0.39 1.02 -0.09 -4.93 120.64 110.71 3i3d n GLU 969 Ca -0.00 -0.70 -0.35 0.00 -0.02 0.00 0.00 57.16 56.08 3i3d n GLU 969 Cb 0.63 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 30.50 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 -2.59 5.38 0.09 2.62 2.01 0.06 -5.00 115.64 118.21 3i3d s THR 970 Ca 0.15 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.38 3i3d s THR 970 Cb 0.17 -3.47 -0.23 0.00 0.01 0.00 0.00 72.50 68.98 3i3d s THR 970 CO 0.65 0.41 1.17 0.77 -0.69 0.00 0.00 174.62 176.93 3i3d h SER 971 N 6.93 0.10 -4.18 3.53 4.64 -1.90 -3.38 113.55 119.29 3i3d h SER 971 Ca -0.40 -0.11 -0.43 0.00 -0.47 0.00 0.00 61.79 60.38 3i3d h SER 971 Cb 1.16 -0.03 -0.28 0.00 -0.31 0.00 0.00 62.40 62.94 3i3d h SER 971 CO 0.73 1.09 -0.79 -1.00 -0.87 0.00 0.00 176.83 175.98 3i3d s HIS 972 N -2.68 1.04 0.53 4.77 3.76 -1.26 -4.33 115.29 117.12 3i3d s HIS 972 Ca -0.01 -0.24 0.18 0.00 -0.15 0.00 0.00 55.06 54.84 3i3d s HIS 972 Cb 0.09 -0.66 1.33 0.00 1.11 0.00 0.00 32.58 34.46 3i3d s HIS 972 CO 0.83 -0.01 2.15 0.07 -0.85 0.00 0.00 174.74 176.93 3i3d h ARG 973 N 5.61 0.00 0.00 1.40 0.11 -1.45 -1.50 114.38 118.56 3i3d h ARG 973 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 3i3d h ARG 973 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 3i3d h ARG 973 CO 0.48 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.16 3i3d n HIS 974 N -4.46 0.12 1.21 4.08 1.44 -1.26 -2.13 115.22 114.23 3i3d n HIS 974 Ca -0.02 0.05 0.13 0.00 -2.01 0.00 0.00 57.72 55.86 3i3d n HIS 974 Cb 0.13 -0.57 0.27 0.00 0.12 0.00 0.00 29.99 29.94 3i3d n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i3d n LEU 975 N -1.61 2.00 -4.77 2.39 4.77 -0.56 -4.93 117.00 114.29 3i3d n LEU 975 Ca 0.04 -0.67 -0.38 0.00 -0.03 0.00 0.00 56.01 54.97 3i3d n LEU 975 Cb 0.22 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3i3d n LEU 975 CO 0.17 0.34 0.81 -0.76 -1.33 0.00 0.00 177.39 176.63 3i3d s LEU 976 N -2.16 4.24 -0.09 2.23 1.43 -0.90 -5.04 118.68 118.39 3i3d s LEU 976 Ca 0.29 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.67 3i3d s LEU 976 Cb 0.20 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.45 3i3d s LEU 976 CO 0.39 -0.54 -0.12 -1.38 0.23 0.00 0.00 176.35 174.93 3i3d s HIS 977 N -1.42 1.61 0.14 0.29 -3.43 -1.26 -5.10 115.29 106.12 3i3d s HIS 977 Ca 0.55 -0.71 -0.32 0.00 -0.80 0.00 0.00 55.06 53.77 3i3d s HIS 977 Cb -0.29 -1.22 -0.12 0.00 -1.43 0.00 0.00 32.58 29.52 3i3d s HIS 977 CO 0.37 -0.41 1.74 0.00 -2.00 0.00 0.00 174.74 174.44 3i3d n ALA 978 N 4.26 2.00 -1.94 -1.38 0.00 -1.26 -4.84 120.51 117.35 3i3d n ALA 978 Ca -0.19 0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.37 3i3d n ALA 978 Cb 0.51 -2.50 0.08 0.00 0.00 0.00 0.00 19.45 17.54 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 1.93 2.10 0.38 0.00 2.02 0.09 -5.03 118.70 120.19 3i3d s GLU 979 Ca 0.80 -0.33 -0.27 0.00 0.02 0.00 0.00 54.97 55.19 3i3d s GLU 979 Cb -0.56 -2.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 3i3d s GLU 979 CO 0.37 -1.29 1.27 -2.00 0.02 0.00 0.00 175.26 173.63 3i3d s GLU 980 N -5.25 4.14 2.69 1.61 2.12 -1.26 -4.77 118.70 117.98 3i3d s GLU 980 Ca 0.61 2.09 0.00 0.00 0.36 0.00 0.00 54.97 58.03 3i3d s GLU 980 Cb -0.10 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.43 3i3d s GLU 980 CO 0.45 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 3i3d n GLY 981 N 0.73 -0.09 2.85 -1.50 0.00 -1.26 -4.83 105.19 101.09 3i3d n GLY 981 Ca 0.02 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 0.53 -0.09 2.61 2.01 0.47 -4.72 115.64 116.45 3i3d s THR 982 Ca 0.00 -0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.69 3i3d s THR 982 Cb 0.00 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 3i3d s THR 982 CO 0.00 0.25 0.82 0.26 -0.69 0.00 0.00 174.62 175.26 3i3d s TRP 983 N 1.35 3.54 -0.09 4.92 0.52 0.15 0.64 118.94 129.97 3i3d s TRP 983 Ca -0.04 1.37 0.04 0.00 0.02 0.00 0.00 56.10 57.48 3i3d s TRP 983 Cb -0.13 -2.97 -0.01 0.00 -1.15 0.00 0.00 33.47 29.21 3i3d s TRP 983 CO -0.02 -0.06 -0.20 -1.17 0.02 0.00 0.00 176.95 175.51 3i3d s LEU 984 N 1.37 2.34 -0.23 2.99 2.96 -0.17 -1.51 118.68 126.43 3i3d s LEU 984 Ca 0.42 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3i3d s LEU 984 Cb -0.18 -1.47 0.05 0.00 0.50 0.00 0.00 46.19 45.09 3i3d s LEU 984 CO 0.18 0.22 -0.08 0.20 -1.32 0.00 0.00 176.35 175.55 3i3d s ASN 985 N 0.03 3.79 -0.24 3.68 0.01 -0.66 -1.96 114.94 119.59 3i3d s ASN 985 Ca -0.07 -1.11 -0.03 0.00 -0.71 0.00 0.00 52.86 50.93 3i3d s ASN 985 Cb -0.15 -1.25 0.01 0.00 0.41 0.00 0.00 41.25 40.27 3i3d s ASN 985 CO 0.05 -0.20 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.76 3i3d s ILE 986 N 1.35 3.08 -0.11 0.60 1.01 -0.15 -1.93 121.20 125.06 3i3d s ILE 986 Ca -0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3i3d s ILE 986 Cb -0.18 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3i3d s ILE 986 CO -0.07 0.30 -0.04 -1.81 0.00 0.00 0.00 174.94 173.33 3i3d s ASP 987 N 1.39 4.86 0.13 3.58 1.01 0.40 0.05 116.67 128.09 3i3d s ASP 987 Ca 0.03 -0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 3i3d s ASP 987 Cb -0.15 -1.48 -0.10 0.00 1.01 0.00 0.00 42.92 42.20 3i3d s ASP 987 CO -0.04 0.29 1.30 1.23 0.21 0.00 0.00 175.17 178.16 3i3d h GLY 988 N 5.77 0.33 -4.55 0.21 0.00 -0.70 0.04 103.07 104.18 3i3d h GLY 988 Ca -0.43 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.14 3i3d h GLY 988 CO 0.57 0.56 -0.42 -1.36 0.00 0.00 0.00 176.54 175.88 3i3d s PHE 989 N -3.12 -0.00 -0.05 5.60 0.40 -0.75 -4.71 117.98 115.35 3i3d s PHE 989 Ca -0.04 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 3i3d s PHE 989 Cb 0.09 -0.01 0.01 0.00 0.51 0.00 0.00 43.02 43.62 3i3d s PHE 989 CO 0.85 -0.34 0.13 -1.58 0.70 0.00 0.00 175.22 174.98 3i3d s HIS 990 N -1.60 -0.14 0.56 0.36 2.46 -1.26 -1.12 115.29 114.56 3i3d s HIS 990 Ca -0.13 0.34 -0.18 0.00 0.47 0.00 0.00 55.06 55.57 3i3d s HIS 990 Cb -0.06 0.04 -0.05 0.00 -0.13 0.00 0.00 32.58 32.39 3i3d s HIS 990 CO 0.01 -0.07 1.08 1.41 -2.47 0.00 0.00 174.74 174.70 3i3d s MET 991 N 0.10 3.38 1.09 2.88 1.75 -0.07 -4.78 119.30 123.65 3i3d s MET 991 Ca -0.00 1.36 -0.12 0.00 -1.25 0.00 0.00 55.69 55.68 3i3d s MET 991 Cb -0.01 -2.03 0.24 0.00 2.84 0.00 0.00 34.83 35.87 3i3d s MET 991 CO -0.00 -0.79 1.06 0.20 -0.65 0.00 0.00 175.02 174.84 3i3d s GLY 992 N -2.31 1.56 -0.05 2.11 0.00 -0.45 -4.75 107.32 103.42 3i3d s GLY 992 Ca 0.67 -0.16 0.21 0.00 0.00 0.00 0.00 44.72 45.45 3i3d s GLY 992 CO 0.31 0.50 0.42 0.29 0.00 0.00 0.00 173.10 174.62 3i3d n ILE 993 N -4.62 0.23 -4.51 0.90 -5.35 -1.26 -4.96 119.36 99.79 3i3d n ILE 993 Ca 0.04 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3i3d n ILE 993 Cb 0.55 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 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 1.34 -0.19 0.00 3.28 0.00 -1.26 -4.74 105.19 103.62 3i3d n GLY 994 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.19 0.53 -0.02 0.00 -1.26 -0.40 105.19 103.86 3i3d n GLY 995 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -5.05 1.61 5.19 -1.80 -1.66 116.42 114.72 3i3d h ASP 996 Ca 0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.49 3i3d h ASP 996 Cb 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 3i3d h ASP 996 CO 0.00 0.00 0.27 1.51 -3.12 0.00 0.00 179.24 177.90 3i3d s ASP 997 N -5.13 -0.26 -0.18 6.45 1.47 -1.26 -4.10 116.67 113.65 3i3d s ASP 997 Ca -0.05 -0.54 0.13 0.00 1.18 0.00 0.00 52.55 53.27 3i3d s ASP 997 Cb 0.23 0.68 0.40 0.00 -0.34 0.00 0.00 42.92 43.89 3i3d s ASP 997 CO 0.80 -1.25 1.21 -1.20 0.68 0.00 0.00 175.17 175.40 3i3d n SER 998 N -0.46 1.72 0.00 2.11 7.64 -1.26 -4.65 113.62 118.72 3i3d n SER 998 Ca -0.05 -3.66 0.00 0.00 1.01 0.00 0.00 58.87 56.17 3i3d n SER 998 Cb 0.60 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.03 0.00 -3.75 1.43 2.14 -1.26 -4.01 117.44 110.95 3i3d n TRP 999 Ca 0.18 -0.09 -0.11 0.00 2.07 0.00 0.00 57.50 59.55 3i3d n TRP 999 Cb 0.72 -0.01 -0.07 0.00 -0.81 0.00 0.00 31.31 31.14 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 -0.18 -0.09 0.19 -0.67 1.04 -1.26 -4.44 113.70 108.28 3i3d s SER 1000Ca 0.00 -0.31 -0.33 0.00 0.48 0.00 0.00 55.95 55.79 3i3d s SER 1000Cb 0.00 0.37 -0.14 0.00 0.10 0.00 0.00 66.02 66.36 3i3d s SER 1000CO 0.00 -0.68 1.55 -2.65 0.98 0.00 0.00 173.24 172.44 3i3d n PRO 1001N 0.30 2.20 0.00 4.02 -0.02 -1.26 -4.83 135.00 135.41 3i3d n PRO 1001Ca -0.17 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3i3d n PRO 1001Cb 0.61 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 3.12 0.89 -4.65 2.55 3.41 -1.26 -5.01 113.62 112.67 3i3d n SER 1002Ca 0.15 -1.36 -0.43 0.00 -0.26 0.00 0.00 58.87 56.97 3i3d n SER 1002Cb 0.30 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.36 4.63 0.63 -3.33 1.01 -1.26 -4.28 120.40 117.43 3i3d s VAL 1003Ca 0.00 1.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 3i3d s VAL 1003Cb 0.00 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3i3d s VAL 1003CO 0.00 -0.31 1.29 -0.24 0.00 0.00 0.00 175.10 175.85 3i3d n SER 1004N 6.52 2.12 -0.30 3.32 2.88 -1.26 -4.85 113.62 122.06 3i3d n SER 1004Ca 0.11 0.85 0.07 0.00 -1.33 0.00 0.00 58.87 58.57 3i3d n SER 1004Cb 0.47 -1.55 0.23 0.00 -0.75 0.00 0.00 64.21 62.60 3i3d n SER 1004CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3d h ALA 1005N 0.67 1.29 0.00 -1.46 0.00 -1.96 -0.54 119.26 117.27 3i3d h ALA 1005Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3i3d h ALA 1005Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3i3d h ALA 1005CO 0.54 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 178.84 3i3d n GLU 1006N -4.87 0.09 -0.10 0.00 0.00 -1.26 -1.77 120.64 112.73 3i3d n GLU 1006Ca 0.17 0.24 0.04 0.00 0.00 0.00 0.00 57.16 57.61 3i3d n GLU 1006Cb 0.44 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.47 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 -1.32 0.22 -3.87 -1.84 3.01 -0.21 -4.99 117.46 108.46 3i3d n PHE 1007Ca 0.03 -0.60 -0.33 0.00 1.01 0.00 0.00 57.45 57.56 3i3d n PHE 1007Cb 0.06 -0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.42 3.47 -1.28 -1.08 -0.21 -0.73 -1.34 119.66 117.08 3i3d s GLN 1008Ca 0.15 -0.28 -0.14 0.00 0.02 0.00 0.00 55.36 55.11 3i3d s GLN 1008Cb 0.10 -3.07 0.13 0.00 1.00 0.00 0.00 33.01 31.17 3i3d s GLN 1008CO 0.06 0.65 1.69 1.28 -2.12 0.00 0.00 175.29 176.85 3i3d n LEU 1009N 0.85 5.59 -0.69 2.90 4.77 -1.26 -4.70 117.00 124.46 3i3d n LEU 1009Ca -0.10 -4.31 0.07 0.00 -0.03 0.00 0.00 56.01 51.64 3i3d n LEU 1009Cb 0.52 -1.63 0.14 0.00 -2.33 0.00 0.00 43.42 40.12 3i3d n LEU 1009CO 0.45 0.73 0.59 -1.54 -1.33 0.00 0.00 177.39 176.29 3i3d n SER 1010N 6.12 2.77 0.24 -1.43 3.41 -1.26 -4.35 113.62 119.12 3i3d n SER 1010Ca 0.42 -1.85 0.17 0.00 -0.26 0.00 0.00 58.87 57.35 3i3d n SER 1010Cb 0.42 -0.19 0.83 0.00 -0.26 0.00 0.00 64.21 65.01 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 2.48 1.00 0.00 7.33 0.00 -1.98 -3.46 119.26 124.63 3i3d h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3d h ALA 1011Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i3d h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3i3d n GLY 1012N -0.82 1.47 3.07 0.00 0.00 -1.26 -4.88 105.19 102.76 3i3d n GLY 1012Ca -0.01 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 1.76 0.04 1.61 0.52 -1.26 0.20 118.95 121.82 3i3d s ARG 1013Ca 0.00 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 3i3d s ARG 1013Cb 0.00 -1.47 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 3i3d s ARG 1013CO 0.00 0.12 -0.12 0.71 0.02 0.00 0.00 175.30 176.02 3i3d s TYR 1014N 0.39 1.06 -0.02 -0.53 1.51 -0.08 -4.98 117.35 114.70 3i3d s TYR 1014Ca -0.10 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 3i3d s TYR 1014Cb -0.14 -0.63 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 3i3d s TYR 1014CO 0.03 0.01 -0.06 -1.58 -1.11 0.00 0.00 175.55 172.85 3i3d s HIS 1015N -0.87 0.69 0.06 2.71 2.46 -1.26 -0.59 115.29 118.49 3i3d s HIS 1015Ca -0.00 -0.16 -0.18 0.00 0.47 0.00 0.00 55.06 55.19 3i3d s HIS 1015Cb -0.08 -0.52 0.04 0.00 -0.13 0.00 0.00 32.58 31.89 3i3d s HIS 1015CO 0.01 -0.09 0.42 1.52 -2.47 0.00 0.00 174.74 174.13 3i3d s TYR 1016N 0.29 -0.26 -0.01 3.88 -0.85 -0.73 -5.03 117.35 114.64 3i3d s TYR 1016Ca -0.04 0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 56.65 3i3d s TYR 1016Cb -0.08 0.24 -0.00 0.00 0.38 0.00 0.00 41.96 42.50 3i3d s TYR 1016CO 0.00 -0.61 0.04 1.14 -1.52 0.00 0.00 175.55 174.60 3i3d s GLN 1017N -2.81 0.16 0.08 -3.49 -2.07 -1.26 -0.70 119.66 109.56 3i3d s GLN 1017Ca -0.03 -0.13 0.03 0.00 -1.82 0.00 0.00 55.36 53.41 3i3d s GLN 1017Cb -0.00 0.06 -0.03 0.00 -1.09 0.00 0.00 33.01 31.95 3i3d s GLN 1017CO -0.05 -0.03 -0.09 -0.51 -1.32 0.00 0.00 175.29 173.30 3i3d s LEU 1018N -0.45 2.37 -0.15 2.60 1.43 0.46 -4.34 118.68 120.60 3i3d s LEU 1018Ca -0.05 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 3i3d s LEU 1018Cb -0.03 -0.22 0.02 0.00 0.03 0.00 0.00 46.19 45.99 3i3d s LEU 1018CO -0.00 -0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 175.47 3i3d s VAL 1019N -2.26 1.60 -0.16 -1.59 1.01 -0.19 0.38 120.40 119.19 3i3d s VAL 1019Ca 0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3i3d s VAL 1019Cb -0.04 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3i3d s VAL 1019CO -0.01 0.44 0.01 0.86 0.00 0.00 0.00 175.10 176.40 3i3d s TRP 1020N 1.47 3.13 0.00 5.22 -0.11 0.51 -1.27 118.94 127.90 3i3d s TRP 1020Ca 0.05 -0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.26 3i3d s TRP 1020Cb -0.13 -1.99 0.00 0.00 -1.50 0.00 0.00 33.47 29.85 3i3d s TRP 1020CO -0.11 0.09 0.00 0.00 -4.62 0.00 0.00 176.95 172.31 3i3d s GLN 1022N -0.30 3.25 0.00 0.00 -2.07 -1.26 -1.43 119.66 117.84 3i3d s GLN 1022Ca 0.00 -0.45 0.09 0.00 -1.82 0.00 0.00 55.36 53.18 3i3d s GLN 1022Cb 0.00 -2.96 0.55 0.00 -1.09 0.00 0.00 33.01 29.51 3i3d s GLN 1022CO 0.00 0.63 1.00 1.17 -1.32 0.00 0.00 175.29 176.78