#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 -1.18 0.21 5.56 1.74 -1.26 -4.81 116.66 116.92 3i3d n ARG 14 Ca 0.00 0.60 0.15 0.00 -0.77 0.00 0.00 57.85 57.83 3i3d n ARG 14 Cb 0.00 -3.85 0.72 0.00 -1.02 0.00 0.00 32.46 28.31 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 -1.41 0.00 -0.11 0.55 3.32 -1.95 -2.41 116.42 114.41 3i3d h ASP 15 Ca -0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.47 3i3d h ASP 15 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3i3d h ASP 15 CO 0.44 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.29 3i3d n TRP 16 N -2.59 0.14 -2.49 4.55 2.14 -1.26 -3.24 117.44 114.69 3i3d n TRP 16 Ca -0.00 -0.07 -0.02 0.00 2.07 0.00 0.00 57.50 59.47 3i3d n TRP 16 Cb 0.15 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.70 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 -0.21 1.54 -3.42 -2.67 1.02 -0.91 0.22 120.64 116.21 3i3d n GLU 17 Ca 0.07 -3.17 -0.17 0.00 -0.02 0.00 0.00 57.16 53.86 3i3d n GLU 17 Cb 0.12 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.61 0.00 1.62 2.47 -1.20 -4.68 114.94 111.55 3i3d s ASN 18 Ca 0.34 -0.60 0.09 0.00 0.42 0.00 0.00 52.86 53.12 3i3d s ASN 18 Cb 0.36 0.48 0.48 0.00 -1.45 0.00 0.00 41.25 41.12 3i3d s ASN 18 CO -0.07 -0.37 1.17 -0.81 -3.72 0.00 0.00 177.10 173.30 3i3d n PRO 19 N 5.31 0.15 0.05 0.43 -0.04 -1.26 -1.44 135.00 138.20 3i3d n PRO 19 Ca -0.03 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 3i3d n PRO 19 Cb 0.47 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.76 3i3d n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i3d n GLY 20 N -0.48 -1.48 3.01 0.55 0.00 -1.26 -4.27 105.19 101.25 3i3d n GLY 20 Ca 0.05 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3i3d n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3d s VAL 21 N -3.09 2.03 -1.30 1.61 1.01 -0.52 -4.93 120.40 115.21 3i3d s VAL 21 Ca 0.10 -1.86 0.14 0.00 0.00 0.00 0.00 61.98 60.35 3i3d s VAL 21 Cb 0.15 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3i3d s VAL 21 CO 0.65 -0.33 0.78 0.35 0.00 0.00 0.00 175.10 176.56 3i3d n THR 22 N 4.42 0.00 -3.60 3.92 -2.24 -1.26 -4.80 114.28 110.71 3i3d n THR 22 Ca -0.05 -0.38 -0.03 0.00 -2.27 0.00 0.00 64.05 61.32 3i3d n THR 22 Cb 0.42 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.61 0.28 -0.07 -0.78 1.03 -1.26 -1.28 119.66 115.97 3i3d s GLN 23 Ca 0.12 -0.11 -0.03 0.00 0.04 0.00 0.00 55.36 55.38 3i3d s GLN 23 Cb 0.11 0.12 0.04 0.00 0.03 0.00 0.00 33.01 33.32 3i3d s GLN 23 CO 0.32 -0.12 0.13 -0.51 -2.54 0.00 0.00 175.29 172.57 3i3d s LEU 24 N -2.27 0.06 -1.02 2.60 1.43 0.55 -4.85 118.68 115.18 3i3d s LEU 24 Ca 0.10 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3i3d s LEU 24 Cb -0.00 0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.40 3i3d s LEU 24 CO -0.04 -0.24 0.00 0.59 0.23 0.00 0.00 176.35 176.89 3i3d n ASN 25 N 5.21 -5.16 -4.77 2.29 3.02 -1.26 -1.76 115.26 112.82 3i3d n ASN 25 Ca -0.06 0.24 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 3i3d n ASN 25 Cb 0.50 -3.51 -0.03 0.00 -0.61 0.00 0.00 39.78 36.13 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 -2.64 4.24 0.61 3.52 3.52 -1.26 -4.67 118.95 122.26 3i3d s ARG 26 Ca 0.00 1.67 -0.10 0.00 -0.13 0.00 0.00 55.73 57.17 3i3d s ARG 26 Cb 0.00 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 3i3d s ARG 26 CO 0.00 -0.12 1.00 -0.51 -0.81 0.00 0.00 175.30 174.87 3i3d s LEU 27 N -2.33 3.26 0.57 -0.88 1.43 0.69 -5.01 118.68 116.41 3i3d s LEU 27 Ca 0.55 1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 3i3d s LEU 27 Cb -0.27 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 3i3d s LEU 27 CO 0.34 -0.87 1.31 0.00 0.23 0.00 0.00 176.35 177.35 3i3d s ALA 28 N -3.14 2.67 0.67 4.21 0.00 -1.26 -4.66 121.76 120.26 3i3d s ALA 28 Ca 0.54 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.61 3i3d s ALA 28 Cb -0.11 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 3i3d s ALA 28 CO 0.53 -1.35 1.06 0.00 0.00 0.00 0.00 175.76 176.00 3i3d s ALA 29 N -1.38 2.64 0.05 0.00 0.00 -1.26 -4.98 121.76 116.83 3i3d s ALA 29 Ca 0.75 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 3i3d s ALA 29 Cb -0.37 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 19.63 3i3d s ALA 29 CO 0.43 -1.15 1.12 -3.38 0.00 0.00 0.00 175.76 172.78 3i3d s HIS 30 N -2.80 -0.10 0.90 0.00 -3.43 -1.26 -4.89 115.29 103.71 3i3d s HIS 30 Ca 0.61 -0.09 -0.11 0.00 -0.80 0.00 0.00 55.06 54.66 3i3d s HIS 30 Cb -0.15 0.59 0.13 0.00 -1.43 0.00 0.00 32.58 31.71 3i3d s HIS 30 CO 0.49 -0.53 1.09 -2.14 -2.00 0.00 0.00 174.74 171.65 3i3d s PRO 31 N -2.83 1.25 0.05 -0.38 0.02 -1.11 -4.27 135.00 127.73 3i3d s PRO 31 Ca 0.13 0.90 -0.35 0.00 0.02 0.00 0.00 61.00 61.70 3i3d s PRO 31 Cb 0.02 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.59 3i3d s PRO 31 CO -0.01 -2.27 1.62 -2.30 -0.33 0.00 0.00 177.00 173.71 3i3d n PRO 32 N -3.91 1.88 -4.39 5.54 -0.02 -1.26 -4.99 135.00 127.85 3i3d n PRO 32 Ca 0.07 0.68 -0.29 0.00 -2.02 0.00 0.00 63.50 61.94 3i3d n PRO 32 Cb 0.55 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 3i3d n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i3d s PHE 33 N 1.81 2.48 0.00 6.00 2.99 -1.26 -4.77 117.98 125.23 3i3d s PHE 33 Ca 0.85 -0.29 0.00 0.00 0.00 0.00 0.00 56.93 57.48 3i3d s PHE 33 Cb -0.77 -1.34 0.00 0.00 0.00 0.00 0.00 43.02 40.91 3i3d s PHE 33 CO 0.45 0.35 0.00 0.00 -0.00 0.00 0.00 175.22 176.02 3i3d n ALA 34 N 0.96 0.65 -3.70 5.36 0.00 -1.26 -5.04 120.51 117.47 3i3d n ALA 34 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 3i3d n ALA 34 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.39 -4.72 -4.78 0.00 2.88 -1.26 -4.12 113.62 101.24 3i3d n SER 35 Ca 0.00 -1.01 -0.34 0.00 -1.33 0.00 0.00 58.87 56.19 3i3d n SER 35 Cb 0.00 -3.39 0.01 0.00 -0.75 0.00 0.00 64.21 60.08 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 -3.52 2.75 -0.08 0.66 0.51 -0.67 -4.56 118.94 114.04 3i3d s TRP 36 Ca 0.41 1.55 0.10 0.00 -2.12 0.00 0.00 56.10 56.04 3i3d s TRP 36 Cb -0.15 -3.18 0.16 0.00 -0.81 0.00 0.00 33.47 29.48 3i3d s TRP 36 CO 0.86 -1.42 1.08 0.54 -0.51 0.00 0.00 176.95 177.51 3i3d n ARG 37 N -1.63 2.17 -3.69 4.98 5.12 -1.26 -1.47 116.66 120.88 3i3d n ARG 37 Ca 0.11 -2.05 -0.15 0.00 -1.93 0.00 0.00 57.85 53.82 3i3d n ARG 37 Cb 0.52 -1.26 -0.15 0.00 -1.16 0.00 0.00 32.46 30.41 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 -1.92 0.47 0.24 0.55 3.84 -1.26 -5.00 114.94 111.86 3i3d s ASN 38 Ca 0.17 0.37 -0.06 0.00 0.21 0.00 0.00 52.86 53.54 3i3d s ASN 38 Cb 0.14 0.31 0.24 0.00 -0.55 0.00 0.00 41.25 41.40 3i3d s ASN 38 CO 0.02 -0.22 1.89 0.28 -2.79 0.00 0.00 177.10 176.28 3i3d h SER 39 N 8.06 1.14 -0.75 -4.21 0.02 -1.97 -2.57 113.55 113.26 3i3d h SER 39 Ca -0.21 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 3i3d h SER 39 Cb 1.12 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 3i3d h SER 39 CO 0.21 0.87 0.36 -0.08 -1.14 0.00 0.00 176.83 177.06 3i3d h GLU 40 N 1.30 1.09 -0.33 3.45 4.57 -1.99 0.38 114.58 123.05 3i3d h GLU 40 Ca 0.34 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 3i3d h GLU 40 Cb -0.05 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 3i3d h GLU 40 CO -0.06 0.85 -0.14 0.93 -1.18 0.00 0.00 179.01 179.41 3i3d h GLU 41 N 1.06 0.59 -0.31 1.92 4.39 -1.90 -1.10 114.58 119.23 3i3d h GLU 41 Ca 0.26 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 3i3d h GLU 41 Cb 0.12 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3i3d h GLU 41 CO -0.03 0.71 -0.05 0.00 -1.16 0.00 0.00 179.01 178.47 3i3d h ALA 42 N 1.32 0.43 -0.38 3.43 0.00 -1.01 -1.21 119.26 121.84 3i3d h ALA 42 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3i3d h ALA 42 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3i3d h ALA 42 CO 0.03 0.24 0.20 -0.09 0.00 0.00 0.00 179.25 179.64 3i3d h ARG 43 N 0.37 0.53 0.00 0.00 2.43 -0.65 -2.71 114.38 114.35 3i3d h ARG 43 Ca 0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i3d h ARG 43 Cb 0.53 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3i3d h ARG 43 CO 0.03 0.44 0.00 0.25 -1.51 0.00 0.00 179.97 179.18 3i3d n THR 44 N -4.74 0.04 -2.62 0.20 -2.24 -0.44 -4.91 114.28 99.57 3i3d n THR 44 Ca -0.00 0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 3i3d n THR 44 Cb 0.08 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 67.79 3i3d n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i3d n ASP 45 N -1.31 -5.82 -4.89 3.42 2.03 -0.52 -5.00 116.55 104.46 3i3d n ASP 45 Ca 0.13 -0.12 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 3i3d n ASP 45 Cb 0.25 -4.77 0.07 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 -5.26 2.31 0.60 -0.67 0.52 -0.81 -5.00 118.95 110.64 3i3d s ARG 46 Ca 0.11 0.27 -0.18 0.00 -0.52 0.00 0.00 55.73 55.41 3i3d s ARG 46 Cb -0.05 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.40 3i3d s ARG 46 CO 0.14 -1.38 0.99 -2.30 0.02 0.00 0.00 175.30 172.77 3i3d n PRO 47 N -3.21 0.92 -4.94 3.54 -0.02 -1.26 -4.83 135.00 125.21 3i3d n PRO 47 Ca 0.07 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 3i3d n PRO 47 Cb 0.59 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.73 3i3d n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i3d s SER 48 N -1.25 3.68 0.56 2.55 0.15 -1.26 -5.01 113.70 113.12 3i3d s SER 48 Ca 0.76 -0.41 0.33 0.00 0.70 0.00 0.00 55.95 57.32 3i3d s SER 48 Cb -0.41 -1.54 1.68 0.00 -1.71 0.00 0.00 66.02 64.03 3i3d s SER 48 CO 0.47 0.16 2.13 1.56 1.20 0.00 0.00 173.24 178.76 3i3d h GLN 49 N 6.71 0.00 -0.00 5.44 1.08 -1.90 -2.04 115.11 124.40 3i3d h GLN 49 Ca -0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 3i3d h GLN 49 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3i3d h GLN 49 CO 0.52 0.06 -0.08 1.04 -0.95 0.00 0.00 178.83 179.43 3i3d n GLN 50 N -3.42 0.66 -3.97 1.46 3.00 -1.26 -4.62 117.38 109.23 3i3d n GLN 50 Ca -0.02 -0.17 -0.33 0.00 -0.01 0.00 0.00 57.00 56.47 3i3d n GLN 50 Cb 0.21 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.81 3i3d n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3i3d s LEU 51 N -2.46 4.05 -0.09 1.08 2.96 -0.77 -0.39 118.68 123.06 3i3d s LEU 51 Ca 0.30 -1.55 -0.01 0.00 -0.22 0.00 0.00 54.13 52.65 3i3d s LEU 51 Cb 0.20 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 3i3d s LEU 51 CO 0.46 -0.29 -0.02 -0.13 -1.32 0.00 0.00 176.35 175.05 3i3d s ARG 52 N 1.13 3.01 -0.08 1.98 0.52 0.82 -4.73 118.95 121.60 3i3d s ARG 52 Ca -0.02 -0.46 -0.17 0.00 -0.52 0.00 0.00 55.73 54.56 3i3d s ARG 52 Cb -0.20 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 3i3d s ARG 52 CO -0.04 0.64 0.46 0.45 0.02 0.00 0.00 175.30 176.82 3i3d s SER 53 N -0.71 6.73 -0.12 0.23 0.15 -1.26 0.07 113.70 118.79 3i3d s SER 53 Ca 0.11 0.86 0.16 0.00 0.70 0.00 0.00 55.95 57.78 3i3d s SER 53 Cb -0.12 -2.28 0.60 0.00 -1.71 0.00 0.00 66.02 62.51 3i3d s SER 53 CO 0.02 0.10 1.51 0.18 1.20 0.00 0.00 173.24 176.25 3i3d n LEU 54 N 3.09 4.26 -4.77 3.45 4.77 0.74 -4.93 117.00 123.61 3i3d n LEU 54 Ca -0.09 -2.58 -0.36 0.00 -0.03 0.00 0.00 56.01 52.95 3i3d n LEU 54 Cb 0.52 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3i3d n LEU 54 CO 0.41 0.74 0.80 0.20 -1.33 0.00 0.00 177.39 178.21 3i3d s ASN 55 N -1.22 6.03 0.00 -1.43 0.01 -1.24 -4.85 114.94 112.23 3i3d s ASN 55 Ca 0.43 2.22 0.00 0.00 -0.71 0.00 0.00 52.86 54.80 3i3d s ASN 55 Cb 0.30 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.37 3i3d s ASN 55 CO 0.17 -1.01 0.00 0.61 -1.51 0.00 0.00 177.10 175.36 3i3d n GLY 56 N 0.28 0.48 3.71 0.66 0.00 -0.70 -5.00 105.19 104.61 3i3d n GLY 56 Ca 0.09 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 3i3d n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3d s GLU 57 N -2.00 4.45 0.41 1.61 2.02 -1.26 -0.86 118.70 123.07 3i3d s GLU 57 Ca 0.00 1.10 0.03 0.00 0.02 0.00 0.00 54.97 56.13 3i3d s GLU 57 Cb 0.00 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 3i3d s GLU 57 CO 0.00 -0.05 0.08 -1.58 0.02 0.00 0.00 175.26 173.72 3i3d s TRP 58 N 1.14 1.90 -0.18 1.61 0.52 0.66 -4.94 118.94 119.65 3i3d s TRP 58 Ca 0.43 -1.09 -0.07 0.00 0.02 0.00 0.00 56.10 55.39 3i3d s TRP 58 Cb -0.19 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 3i3d s TRP 58 CO 0.20 -0.05 0.05 1.03 0.02 0.00 0.00 176.95 178.20 3i3d s ARG 59 N -3.79 3.92 -0.00 4.98 1.81 -0.25 -1.01 118.95 124.60 3i3d s ARG 59 Ca 0.24 -0.37 0.03 0.00 -1.72 0.00 0.00 55.73 53.91 3i3d s ARG 59 Cb 0.04 -3.18 -0.01 0.00 -0.45 0.00 0.00 34.95 31.36 3i3d s ARG 59 CO 0.13 0.25 -0.10 0.12 -0.68 0.00 0.00 175.30 175.02 3i3d s PHE 60 N 0.43 0.87 -0.03 -0.53 5.36 0.42 -1.28 117.98 123.21 3i3d s PHE 60 Ca 0.02 -0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 55.80 3i3d s PHE 60 Cb -0.13 -0.56 0.02 0.00 -0.34 0.00 0.00 43.02 42.02 3i3d s PHE 60 CO 0.01 -0.01 0.07 0.00 -1.46 0.00 0.00 175.22 173.82 3i3d s ALA 61 N -0.28 -0.08 -0.02 11.12 0.00 -0.64 -0.53 121.76 131.33 3i3d s ALA 61 Ca 0.03 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 3i3d s ALA 61 Cb -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3i3d s ALA 61 CO -0.00 -0.09 0.23 -0.46 0.00 0.00 0.00 175.76 175.43 3i3d s TRP 62 N 0.75 3.58 0.05 0.00 -0.00 -1.26 -0.47 118.94 121.60 3i3d s TRP 62 Ca -0.06 0.53 0.01 0.00 -0.00 0.00 0.00 56.10 56.58 3i3d s TRP 62 Cb -0.08 -1.96 -0.03 0.00 -0.00 0.00 0.00 33.47 31.40 3i3d s TRP 62 CO -0.03 0.65 -0.06 -0.06 -0.00 0.00 0.00 176.95 177.45 3i3d s PHE 63 N -1.25 0.63 -1.18 5.86 0.40 0.40 -4.99 117.98 117.85 3i3d s PHE 63 Ca 0.25 -0.72 0.29 0.00 -0.60 0.00 0.00 56.93 56.15 3i3d s PHE 63 Cb -0.13 -0.39 1.24 0.00 0.51 0.00 0.00 43.02 44.25 3i3d s PHE 63 CO 0.14 -0.17 1.91 -0.35 0.70 0.00 0.00 175.22 177.44 3i3d n PRO 64 N 0.83 0.19 -3.57 0.24 -0.04 -1.26 -0.39 135.00 130.99 3i3d n PRO 64 Ca -0.18 -0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.19 3i3d n PRO 64 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 3i3d n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i3d s ALA 65 N -2.83 -1.98 0.42 0.55 0.00 -1.20 -1.70 121.76 115.01 3i3d s ALA 65 Ca 0.19 1.49 0.36 0.00 0.00 0.00 0.00 51.96 54.00 3i3d s ALA 65 Cb 0.19 -0.28 1.83 0.00 0.00 0.00 0.00 23.12 24.86 3i3d s ALA 65 CO 0.52 -0.51 2.17 -1.00 0.00 0.00 0.00 175.76 176.94 3i3d h PRO 66 N 2.13 0.00 0.00 0.00 0.13 -1.87 -1.88 132.00 130.51 3i3d h PRO 66 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3i3d h PRO 66 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3i3d h PRO 66 CO 0.27 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.46 3i3d n GLU 67 N -3.26 0.01 -0.00 0.86 4.71 -1.26 -2.84 120.64 118.87 3i3d n GLU 67 Ca -0.02 0.07 0.13 0.00 -0.01 0.00 0.00 57.16 57.33 3i3d n GLU 67 Cb 0.19 -1.52 0.31 0.00 -1.01 0.00 0.00 31.44 29.42 3i3d n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i3d n ALA 68 N -1.51 2.52 -2.63 0.62 0.00 -0.70 -4.88 120.51 113.92 3i3d n ALA 68 Ca 0.06 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 3i3d n ALA 68 Cb 0.30 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 3i3d n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i3d s VAL 69 N -1.99 4.44 0.15 0.00 1.01 -1.13 -4.99 120.40 117.88 3i3d s VAL 69 Ca 0.33 1.57 -0.31 0.00 0.00 0.00 0.00 61.98 63.56 3i3d s VAL 69 Cb 0.20 -4.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 3i3d s VAL 69 CO 0.32 -0.62 1.68 -2.16 0.00 0.00 0.00 175.10 174.31 3i3d s PRO 70 N 3.85 4.17 0.10 2.72 0.04 -1.26 -4.85 135.00 139.76 3i3d s PRO 70 Ca 0.45 2.47 0.07 0.00 0.04 0.00 0.00 61.00 64.03 3i3d s PRO 70 Cb -0.11 -3.32 0.37 0.00 0.04 0.00 0.00 34.50 31.48 3i3d s PRO 70 CO 0.20 -0.72 1.21 0.39 0.04 0.00 0.00 177.00 178.12 3i3d n GLU 71 N 4.66 0.04 0.16 4.56 -0.58 -1.26 -1.16 120.64 127.06 3i3d n GLU 71 Ca 0.16 0.54 0.02 0.00 -0.42 0.00 0.00 57.16 57.45 3i3d n GLU 71 Cb 0.38 -1.64 0.25 0.00 -0.57 0.00 0.00 31.44 29.86 3i3d n GLU 71 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3i3d h SER 72 N 0.00 0.00 -0.77 1.62 4.64 -1.93 -3.04 113.55 114.07 3i3d h SER 72 Ca 0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 3i3d h SER 72 Cb 0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3i3d h SER 72 CO 0.00 0.51 0.55 -0.25 -0.87 0.00 0.00 176.83 176.77 3i3d h TRP 73 N 0.00 0.07 -0.52 4.77 7.01 -1.31 -0.32 115.95 125.65 3i3d h TRP 73 Ca -0.01 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 3i3d h TRP 73 Cb 0.99 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 28.01 3i3d h TRP 73 CO 0.00 0.02 0.02 -0.07 -2.79 0.00 0.00 178.44 175.62 3i3d h LEU 74 N 0.05 0.84 0.09 0.65 3.38 -1.73 -3.31 115.31 115.28 3i3d h LEU 74 Ca 0.37 -0.20 -0.34 0.00 0.09 0.00 0.00 57.88 57.80 3i3d h LEU 74 Cb 1.40 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3i3d h LEU 74 CO -0.02 0.89 -1.85 -0.33 0.09 0.00 0.00 178.44 177.21 3i3d h GLU 75 N 0.81 0.19 -3.57 1.13 4.39 -1.27 -3.29 114.58 112.96 3i3d h GLU 75 Ca 0.16 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 3i3d h GLU 75 Cb 0.46 0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 29.09 3i3d h GLU 75 CO 0.02 0.98 -0.24 0.00 -1.16 0.00 0.00 179.01 178.61 3i3d n ASP 77 N -0.01 2.66 -4.65 0.00 2.03 -1.26 -4.19 116.55 111.12 3i3d n ASP 77 Ca -0.16 1.16 -0.43 0.00 0.52 0.00 0.00 54.79 55.88 3i3d n ASP 77 Cb 0.62 -1.43 -0.02 0.00 -0.72 0.00 0.00 41.12 39.57 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 -0.13 4.04 0.54 -2.67 1.43 -1.26 -4.91 118.68 115.72 3i3d s LEU 78 Ca 0.65 1.25 0.28 0.00 -1.03 0.00 0.00 54.13 55.28 3i3d s LEU 78 Cb -0.64 -3.53 1.45 0.00 0.03 0.00 0.00 46.19 43.49 3i3d s LEU 78 CO 0.53 -0.74 1.96 1.55 0.23 0.00 0.00 176.35 179.88 3i3d h PRO 79 N 7.69 0.00 0.00 1.29 0.13 -2.03 -1.09 132.00 137.98 3i3d h PRO 79 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3i3d h PRO 79 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3i3d h PRO 79 CO 1.00 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.82 3i3d h GLU 80 N 0.00 0.00 -7.27 0.86 9.09 -1.98 -3.46 114.58 111.81 3i3d h GLU 80 Ca 0.28 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.17 3i3d h GLU 80 Cb 1.17 0.00 0.20 0.00 -1.65 0.00 0.00 28.75 28.47 3i3d h GLU 80 CO -0.00 0.00 0.22 0.00 0.05 0.00 0.00 179.01 179.28 3i3d s ALA 81 N -3.21 1.48 0.45 1.06 0.00 -0.42 -5.02 121.76 116.10 3i3d s ALA 81 Ca 0.07 0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.70 3i3d s ALA 81 Cb 0.06 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3i3d s ALA 81 CO 0.66 -2.76 0.37 -0.51 0.00 0.00 0.00 175.76 173.52 3i3d s ASP 82 N -2.68 4.86 -0.25 0.00 1.01 0.31 -4.87 116.67 115.05 3i3d s ASP 82 Ca 0.67 -0.91 -0.08 0.00 0.71 0.00 0.00 52.55 52.94 3i3d s ASP 82 Cb -0.23 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.35 3i3d s ASP 82 CO 0.58 -0.76 0.10 -0.89 0.21 0.00 0.00 175.17 174.41 3i3d s THR 83 N -2.56 4.61 0.18 -1.27 2.01 -1.26 -0.44 115.64 116.91 3i3d s THR 83 Ca 0.45 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.42 3i3d s THR 83 Cb -0.02 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 3i3d s THR 83 CO 0.26 0.32 -0.08 0.68 -0.69 0.00 0.00 174.62 175.11 3i3d s VAL 84 N 1.59 1.22 0.24 3.82 -7.23 -0.18 -4.92 120.40 114.94 3i3d s VAL 84 Ca 0.06 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 57.92 3i3d s VAL 84 Cb -0.15 -2.02 -0.09 0.00 0.56 0.00 0.00 36.38 34.68 3i3d s VAL 84 CO 0.06 -0.60 0.81 -0.69 -0.31 0.00 0.00 175.10 174.37 3i3d s VAL 85 N -3.29 4.39 -0.01 1.32 1.01 -1.26 -0.25 120.40 122.30 3i3d s VAL 85 Ca 0.21 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.81 3i3d s VAL 85 Cb 0.03 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3i3d s VAL 85 CO 0.04 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.65 3i3d s VAL 86 N -1.44 0.68 0.74 2.92 1.01 -0.04 -4.25 120.40 120.01 3i3d s VAL 86 Ca 0.43 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 3i3d s VAL 86 Cb -0.19 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.66 3i3d s VAL 86 CO 0.24 0.19 1.11 -2.16 0.00 0.00 0.00 175.10 174.48 3i3d s PRO 87 N -0.16 2.39 -0.25 2.72 0.04 -1.26 -1.72 135.00 136.76 3i3d s PRO 87 Ca 0.03 1.30 -0.37 0.00 0.04 0.00 0.00 61.00 61.99 3i3d s PRO 87 Cb -0.04 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.75 3i3d s PRO 87 CO -0.00 -1.56 1.38 -1.54 0.04 0.00 0.00 177.00 175.32 3i3d s SER 88 N -2.99 -0.02 -0.21 6.66 1.04 0.41 -4.92 113.70 113.68 3i3d s SER 88 Ca 0.64 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.00 3i3d s SER 88 Cb -0.19 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 3i3d s SER 88 CO 0.50 -0.04 0.04 0.20 0.98 0.00 0.00 173.24 174.92 3i3d s ASN 89 N -2.20 5.18 0.25 7.02 -0.87 -1.26 -3.29 114.94 119.76 3i3d s ASN 89 Ca 0.12 -0.11 0.19 0.00 -1.57 0.00 0.00 52.86 51.49 3i3d s ASN 89 Cb 0.00 -1.90 0.95 0.00 -0.02 0.00 0.00 41.25 40.29 3i3d s ASN 89 CO -0.03 0.07 1.58 -2.67 -2.57 0.00 0.00 177.10 173.48 3i3d n TRP 90 N 4.21 0.63 0.17 2.20 2.14 -1.12 -0.78 117.44 124.89 3i3d n TRP 90 Ca -0.17 0.30 0.04 0.00 2.07 0.00 0.00 57.50 59.74 3i3d n TRP 90 Cb 0.52 -0.98 0.26 0.00 -0.81 0.00 0.00 31.31 30.30 3i3d n TRP 90 CO 0.00 0.00 0.00 1.96 2.07 0.00 0.00 177.69 181.72 3i3d h GLN 91 N 0.00 0.00 0.00 -2.67 7.50 -1.81 -2.39 115.11 115.74 3i3d h GLN 91 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3i3d h GLN 91 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 3i3d h GLN 91 CO 0.00 0.45 0.00 -1.33 -1.50 0.00 0.00 178.83 176.45 3i3d n MET 92 N -3.54 0.03 0.00 1.46 2.81 0.04 -2.47 117.12 115.45 3i3d n MET 92 Ca -0.00 0.08 0.10 0.00 -1.81 0.00 0.00 57.70 56.07 3i3d n MET 92 Cb 0.56 -1.54 -0.06 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.59 0.00 -0.36 2.03 8.25 -0.93 -5.00 115.22 117.62 3i3d n HIS 93 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3i3d n HIS 93 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 1.41 0.78 0.21 -1.41 0.00 -1.03 -4.97 105.19 100.18 3i3d n GLY 94 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -2.91 1.61 -1.99 -1.73 -3.46 116.97 108.49 3i3d h TYR 95 Ca 0.00 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 3i3d h TYR 95 Cb 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 3i3d h TYR 95 CO 0.00 0.29 0.30 0.16 -0.00 0.00 0.00 178.16 178.91 3i3d s ASP 96 N -6.66 -0.12 0.07 3.88 1.47 -1.26 -5.06 116.67 109.00 3i3d s ASP 96 Ca -0.02 -0.83 -0.19 0.00 1.18 0.00 0.00 52.55 52.69 3i3d s ASP 96 Cb 0.14 0.75 -0.07 0.00 -0.34 0.00 0.00 42.92 43.39 3i3d s ASP 96 CO 0.68 -1.43 0.56 0.00 0.68 0.00 0.00 175.17 175.66 3i3d s ALA 97 N -3.03 3.59 0.34 2.11 0.00 -1.26 -4.44 121.76 119.08 3i3d s ALA 97 Ca 0.14 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 3i3d s ALA 97 Cb -0.05 -2.61 -0.10 0.00 0.00 0.00 0.00 23.12 20.36 3i3d s ALA 97 CO 0.08 0.41 0.98 -1.25 0.00 0.00 0.00 175.76 175.98 3i3d s PRO 98 N -1.17 4.49 -0.13 0.00 0.04 -1.26 -5.00 135.00 131.96 3i3d s PRO 98 Ca 0.29 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 3i3d s PRO 98 Cb -0.19 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 3i3d s PRO 98 CO 0.19 0.17 -0.13 0.42 0.04 0.00 0.00 177.00 177.69 3i3d s ILE 99 N -1.61 3.08 -0.37 0.56 1.01 -1.02 -4.66 121.20 118.18 3i3d s ILE 99 Ca 0.52 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 3i3d s ILE 99 Cb -0.20 -2.30 0.07 0.00 0.01 0.00 0.00 42.46 40.04 3i3d s ILE 99 CO 0.25 0.52 0.16 -0.47 0.00 0.00 0.00 174.94 175.40 3i3d s TYR 100 N 0.40 3.36 -0.01 3.97 5.04 -1.26 0.82 117.35 129.66 3i3d s TYR 100 Ca -0.10 -1.76 0.02 0.00 -2.44 0.00 0.00 57.07 52.79 3i3d s TYR 100 Cb -0.16 -2.68 0.00 0.00 0.35 0.00 0.00 41.96 39.48 3i3d s TYR 100 CO 0.05 -0.84 -0.06 -0.08 -1.34 0.00 0.00 175.55 173.28 3i3d s THR 101 N 1.32 0.52 0.00 4.34 -1.32 -1.26 -1.65 115.64 117.59 3i3d s THR 101 Ca 0.01 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 3i3d s THR 101 Cb -0.21 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.31 3i3d s THR 101 CO 0.00 0.17 0.00 -3.20 -2.21 0.00 0.00 174.62 169.38 3i3d n ASN 102 N 3.18 0.00 -0.07 8.08 2.85 -1.26 -4.12 115.26 123.92 3i3d n ASN 102 Ca -0.16 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.22 3i3d n ASN 102 Cb 0.56 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.51 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 0.80 -2.50 3.44 2.07 -1.93 -3.37 116.25 114.76 3i3d h VAL 103 Ca 0.00 -1.68 -0.54 0.00 0.82 0.00 0.00 66.70 65.30 3i3d h VAL 103 Cb 0.00 1.59 0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3i3d h VAL 103 CO 0.00 0.27 0.96 0.41 0.02 0.00 0.00 177.57 179.23 3i3d n THR 104 N -4.64 0.06 -1.75 2.57 -1.04 -1.26 -3.23 114.28 104.98 3i3d n THR 104 Ca -0.10 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.51 3i3d n THR 104 Cb 0.32 -1.86 0.03 0.00 -1.82 0.00 0.00 70.33 67.00 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 4.08 2.54 0.59 -1.42 4.02 -1.26 -4.85 117.16 120.86 3i3d n TYR 105 Ca 0.17 0.43 0.08 0.00 -0.01 0.00 0.00 57.90 58.57 3i3d n TYR 105 Cb 0.33 -2.42 0.35 0.00 -0.02 0.00 0.00 39.34 37.58 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 -0.55 0.06 -4.32 -0.72 -0.04 -1.26 -4.72 135.00 123.45 3i3d n PRO 106 Ca 0.07 0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.57 3i3d n PRO 106 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.88 1.57 0.21 0.52 -4.36 -1.26 -5.04 121.20 109.95 3i3d s ILE 107 Ca 0.09 -2.16 -0.32 0.00 -0.26 0.00 0.00 60.65 58.01 3i3d s ILE 107 Cb 0.10 -1.97 -0.13 0.00 1.25 0.00 0.00 42.46 41.71 3i3d s ILE 107 CO 0.27 -0.63 1.60 0.41 0.24 0.00 0.00 174.94 176.83 3i3d n THR 108 N -0.30 0.29 -2.37 8.37 -1.04 -1.26 -4.88 114.28 113.09 3i3d n THR 108 Ca -0.09 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.44 3i3d n THR 108 Cb 0.60 -1.74 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 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 0.71 3.65 -0.48 12.58 1.01 -1.26 -4.79 120.40 131.83 3i3d s VAL 109 Ca 0.74 0.44 0.06 0.00 0.00 0.00 0.00 61.98 63.23 3i3d s VAL 109 Cb -0.59 -4.52 0.25 0.00 0.00 0.00 0.00 36.38 31.52 3i3d s VAL 109 CO 0.39 -1.39 0.87 -3.20 0.00 0.00 0.00 175.10 171.77 3i3d n ASN 110 N 10.28 -2.48 -4.74 3.32 5.15 -1.26 -5.13 115.26 120.40 3i3d n ASN 110 Ca 0.10 -3.28 -0.41 0.00 -0.60 0.00 0.00 54.58 50.39 3i3d n ASN 110 Cb 0.50 1.56 0.00 0.00 -0.53 0.00 0.00 39.78 41.31 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 1.48 2.38 -0.67 1.20 -0.04 -1.26 -1.06 135.00 137.02 3i3d n PRO 111 Ca 0.10 0.84 0.08 0.00 -0.04 0.00 0.00 63.50 64.47 3i3d n PRO 111 Cb 0.63 -2.52 0.34 0.00 -0.04 0.00 0.00 33.50 31.91 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 0.39 3.94 -2.08 0.54 -0.04 -1.26 -5.11 135.00 131.38 3i3d n PRO 112 Ca 0.03 -2.71 -0.33 0.00 -0.04 0.00 0.00 63.50 60.46 3i3d n PRO 112 Cb 0.38 -2.00 0.01 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.16 2.97 0.33 0.54 0.40 -0.22 -4.23 117.98 115.60 3i3d s PHE 113 Ca 0.48 1.52 0.04 0.00 -0.60 0.00 0.00 56.93 58.36 3i3d s PHE 113 Cb 0.33 -3.02 -0.06 0.00 0.51 0.00 0.00 43.02 40.78 3i3d s PHE 113 CO 0.19 -1.12 0.06 0.14 0.70 0.00 0.00 175.22 175.19 3i3d s VAL 114 N -2.40 1.13 0.40 -0.44 -7.23 -1.26 -4.60 120.40 106.01 3i3d s VAL 114 Ca 0.64 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.54 3i3d s VAL 114 Cb -0.16 -2.77 -0.10 0.00 0.56 0.00 0.00 36.38 33.91 3i3d s VAL 114 CO 0.36 0.00 1.47 -2.65 -0.31 0.00 0.00 175.10 173.97 3i3d n PRO 115 N -0.69 2.54 0.01 4.82 -0.02 -1.26 -4.88 135.00 135.52 3i3d n PRO 115 Ca -0.02 0.89 0.01 0.00 -2.02 0.00 0.00 63.50 62.36 3i3d n PRO 115 Cb 0.67 -2.66 0.34 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.72 1.17 -2.15 3.45 1.35 -2.00 -3.23 112.91 114.22 3i3d h THR 116 Ca -0.51 -0.60 -0.68 0.00 -0.55 0.00 0.00 66.41 64.07 3i3d h THR 116 Cb 1.25 0.83 -0.16 0.00 -1.73 0.00 0.00 68.15 68.33 3i3d h THR 116 CO 0.63 0.21 1.02 -1.61 -0.25 0.00 0.00 175.52 175.53 3i3d s GLU 117 N -5.12 3.66 -0.41 4.72 2.02 -1.26 -4.76 118.70 117.55 3i3d s GLU 117 Ca -0.08 -1.77 -0.04 0.00 0.02 0.00 0.00 54.97 53.11 3i3d s GLU 117 Cb 0.16 -5.01 0.11 0.00 0.10 0.00 0.00 34.13 29.49 3i3d s GLU 117 CO 0.75 -1.85 0.22 1.21 0.02 0.00 0.00 175.26 175.61 3i3d s ASN 118 N 3.75 5.31 -0.31 -0.19 3.84 -0.69 -4.95 114.94 121.70 3i3d s ASN 118 Ca 0.36 -2.00 -0.42 0.00 0.21 0.00 0.00 52.86 51.01 3i3d s ASN 118 Cb -0.04 -1.85 -0.18 0.00 -0.55 0.00 0.00 41.25 38.64 3i3d s ASN 118 CO -0.08 -0.56 1.62 -2.65 -2.79 0.00 0.00 177.10 172.64 3i3d n PRO 119 N 4.64 0.66 -4.90 0.43 -0.02 -1.23 -3.26 135.00 131.31 3i3d n PRO 119 Ca -0.03 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 3i3d n PRO 119 Cb 0.41 -1.84 -0.15 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.87 2.68 -0.23 3.45 2.01 0.47 -1.64 115.64 125.25 3i3d s THR 120 Ca 0.99 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 3i3d s THR 120 Cb -1.23 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 3i3d s THR 120 CO 0.69 0.54 0.05 -0.83 -0.69 0.00 0.00 174.62 174.38 3i3d s GLY 121 N 0.39 1.75 -0.42 4.40 0.00 0.20 -0.45 107.32 113.18 3i3d s GLY 121 Ca -0.13 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.36 3i3d s GLY 121 CO 0.06 0.45 0.31 0.00 0.00 0.00 0.00 173.10 173.92 3i3d s TYR 123 N 1.63 3.23 0.02 0.00 1.51 -0.16 -1.63 117.35 121.95 3i3d s TYR 123 Ca 0.04 0.04 -0.26 0.00 -1.01 0.00 0.00 57.07 55.88 3i3d s TYR 123 Cb -0.21 -1.57 0.06 0.00 -0.11 0.00 0.00 41.96 40.13 3i3d s TYR 123 CO 0.08 0.52 0.60 -1.54 -1.11 0.00 0.00 175.55 174.10 3i3d s SER 124 N -2.93 -0.56 -0.16 2.29 1.04 -0.41 -0.64 113.70 112.32 3i3d s SER 124 Ca 0.31 0.38 -0.10 0.00 0.48 0.00 0.00 55.95 57.02 3i3d s SER 124 Cb -0.11 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.60 3i3d s SER 124 CO 0.24 -0.71 0.41 -0.22 0.98 0.00 0.00 173.24 173.93 3i3d s LEU 125 N -1.76 0.05 -0.22 2.42 2.96 -0.70 -1.09 118.68 120.34 3i3d s LEU 125 Ca -0.07 0.87 -0.09 0.00 -0.22 0.00 0.00 54.13 54.62 3i3d s LEU 125 Cb -0.01 1.35 -0.04 0.00 0.50 0.00 0.00 46.19 47.99 3i3d s LEU 125 CO 0.01 -0.18 0.11 -0.89 -1.32 0.00 0.00 176.35 174.09 3i3d s THR 126 N 1.09 5.02 0.18 3.68 2.01 -1.26 -0.20 115.64 126.17 3i3d s THR 126 Ca -0.07 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 3i3d s THR 126 Cb -0.07 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 3i3d s THR 126 CO -0.09 0.39 0.32 0.72 -0.69 0.00 0.00 174.62 175.27 3i3d s PHE 127 N 0.87 0.39 0.12 4.92 -0.12 0.03 -4.94 117.98 119.25 3i3d s PHE 127 Ca 0.06 -0.75 0.10 0.00 -0.05 0.00 0.00 56.93 56.28 3i3d s PHE 127 Cb -0.13 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 3i3d s PHE 127 CO 0.03 -0.77 -0.21 -0.80 -0.05 0.00 0.00 175.22 173.42 3i3d s ASN 128 N -2.98 3.69 0.05 1.98 0.01 -1.26 -0.36 114.94 116.07 3i3d s ASN 128 Ca 0.18 -0.62 0.08 0.00 -0.71 0.00 0.00 52.86 51.80 3i3d s ASN 128 Cb 0.03 -0.44 -0.03 0.00 0.41 0.00 0.00 41.25 41.22 3i3d s ASN 128 CO 0.02 0.18 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.87 3i3d s VAL 129 N -1.10 1.83 0.59 1.60 1.01 -1.25 -5.03 120.40 118.04 3i3d s VAL 129 Ca 0.16 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 3i3d s VAL 129 Cb -0.10 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 3i3d s VAL 129 CO 0.08 0.23 0.68 -0.67 0.00 0.00 0.00 175.10 175.42 3i3d n ASP 130 N 1.73 -0.40 -0.12 3.32 2.03 -1.26 -4.71 116.55 117.14 3i3d n ASP 130 Ca -0.17 0.75 -0.13 0.00 0.52 0.00 0.00 54.79 55.77 3i3d n ASP 130 Cb 0.53 -1.25 -0.03 0.00 -0.72 0.00 0.00 41.12 39.65 3i3d n ASP 130 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3i3d h GLU 131 N 0.29 0.81 0.00 -0.67 4.57 -1.99 -3.06 114.58 114.52 3i3d h GLU 131 Ca -0.47 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.31 3i3d h GLU 131 Cb 1.39 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.97 3i3d h GLU 131 CO 0.48 1.02 -0.06 0.66 -1.18 0.00 0.00 179.01 179.93 3i3d h SER 132 N 0.59 0.00 0.72 1.04 4.64 -1.96 -0.43 113.55 118.15 3i3d h SER 132 Ca 0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3i3d h SER 132 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3i3d h SER 132 CO 0.07 0.06 -0.14 -0.50 -0.87 0.00 0.00 176.83 175.45 3i3d h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.78 -2.59 115.95 120.42 3i3d h TRP 133 Ca -0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 3i3d h TRP 133 Cb 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3i3d h TRP 133 CO 0.00 0.14 -1.05 -0.07 -3.56 0.00 0.00 178.44 173.89 3i3d h LEU 134 N 0.00 0.00 0.14 -4.49 3.38 -1.17 -3.38 115.31 109.79 3i3d h LEU 134 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3i3d h LEU 134 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3i3d h LEU 134 CO 0.02 0.27 -1.74 1.56 0.09 0.00 0.00 178.44 178.64 3i3d h GLN 135 N 0.00 0.29 -4.62 1.13 4.20 -1.31 -3.49 115.11 111.31 3i3d h GLN 135 Ca -0.06 -0.49 -0.25 0.00 0.06 0.00 0.00 58.65 57.91 3i3d h GLN 135 Cb 1.26 0.18 -0.15 0.00 0.30 0.00 0.00 27.48 29.08 3i3d h GLN 135 CO 0.02 1.16 -0.64 -1.21 -0.67 0.00 0.00 178.83 177.50 3i3d s GLU 136 N -2.59 1.11 0.79 1.46 0.41 -1.00 -5.13 118.70 113.76 3i3d s GLU 136 Ca -0.14 -1.56 0.00 0.00 -0.41 0.00 0.00 54.97 52.86 3i3d s GLU 136 Cb 0.06 0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.47 3i3d s GLU 136 CO 0.83 -0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.74 3i3d n GLY 137 N -0.23 -1.86 3.24 -1.39 0.00 -1.26 -4.56 105.19 99.13 3i3d n GLY 137 Ca -0.03 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.75 3.13 -0.19 1.61 0.74 0.12 -4.85 119.66 119.46 3i3d s GLN 138 Ca 0.00 -0.82 -0.03 0.00 0.05 0.00 0.00 55.36 54.56 3i3d s GLN 138 Cb 0.00 -2.42 -0.01 0.00 1.10 0.00 0.00 33.01 31.68 3i3d s GLN 138 CO 0.00 0.13 -0.08 0.99 -0.55 0.00 0.00 175.29 175.79 3i3d s THR 139 N 0.48 3.21 0.22 -0.34 2.01 -1.26 -0.74 115.64 119.22 3i3d s THR 139 Ca -0.14 -0.56 0.11 0.00 0.31 0.00 0.00 61.69 61.41 3i3d s THR 139 Cb -0.17 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 3i3d s THR 139 CO 0.05 0.46 -0.21 0.00 -0.69 0.00 0.00 174.62 174.23 3i3d s ARG 140 N 1.17 1.54 -0.06 4.92 1.70 -0.54 -0.20 118.95 127.48 3i3d s ARG 140 Ca 0.02 -1.61 0.01 0.00 -0.47 0.00 0.00 55.73 53.68 3i3d s ARG 140 Cb -0.14 -1.73 -0.03 0.00 -0.57 0.00 0.00 34.95 32.48 3i3d s ARG 140 CO -0.02 0.35 -0.08 -1.50 -1.08 0.00 0.00 175.30 172.97 3i3d s ILE 141 N -2.09 3.63 -0.14 4.99 2.07 -0.18 -1.02 121.20 128.45 3i3d s ILE 141 Ca 0.24 -0.52 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 3i3d s ILE 141 Cb -0.06 -2.48 0.02 0.00 0.13 0.00 0.00 42.46 40.07 3i3d s ILE 141 CO 0.11 0.59 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.97 3i3d s ILE 142 N -0.81 1.44 -0.40 2.00 1.01 0.12 -1.67 121.20 122.89 3i3d s ILE 142 Ca 0.13 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 3i3d s ILE 142 Cb -0.11 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.05 3i3d s ILE 142 CO 0.02 0.44 0.24 -0.36 0.00 0.00 0.00 174.94 175.27 3i3d s PHE 143 N 1.54 3.28 0.36 3.97 0.40 -0.48 -1.34 117.98 125.72 3i3d s PHE 143 Ca 0.05 -1.23 0.24 0.00 -0.60 0.00 0.00 56.93 55.38 3i3d s PHE 143 Cb -0.13 -2.72 1.21 0.00 0.51 0.00 0.00 43.02 41.89 3i3d s PHE 143 CO -0.10 -0.75 1.98 -0.44 0.70 0.00 0.00 175.22 176.61 3i3d h ASP 144 N 8.44 0.00 -1.39 1.36 3.32 -1.40 -0.09 116.42 126.67 3i3d h ASP 144 Ca -0.24 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.93 3i3d h ASP 144 Cb 1.09 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 3i3d h ASP 144 CO 0.72 0.18 0.01 -0.83 -1.72 0.00 0.00 179.24 177.61 3i3d s GLY 145 N -4.23 -0.53 -0.11 2.75 0.00 -1.26 -3.15 107.32 100.79 3i3d s GLY 145 Ca -0.02 2.59 -0.01 0.00 0.00 0.00 0.00 44.72 47.28 3i3d s GLY 145 CO 0.62 3.22 -0.03 0.14 0.00 0.00 0.00 173.10 177.05 3i3d s VAL 146 N 2.72 0.74 -0.30 1.40 1.01 -1.26 -1.97 120.40 122.75 3i3d s VAL 146 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 3i3d s VAL 146 Cb -0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3i3d s VAL 146 CO -0.18 0.23 0.16 0.21 0.00 0.00 0.00 175.10 175.53 3i3d s ASN 147 N 1.81 5.67 -0.00 3.32 3.84 0.21 -4.12 114.94 125.68 3i3d s ASN 147 Ca 0.04 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 52.76 3i3d s ASN 147 Cb -0.13 -2.04 -0.04 0.00 -0.55 0.00 0.00 41.25 38.49 3i3d s ASN 147 CO -0.07 -0.16 0.10 -1.54 -2.79 0.00 0.00 177.10 172.64 3i3d n SER 148 N 5.01 1.83 -3.73 -4.21 3.41 -0.32 -0.22 113.62 115.39 3i3d n SER 148 Ca -0.14 -0.34 -0.10 0.00 -0.26 0.00 0.00 58.87 58.03 3i3d n SER 148 Cb 0.50 1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 65.45 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 -1.66 -0.65 -0.07 7.33 0.00 -1.15 -3.74 121.76 121.83 3i3d s ALA 149 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 3i3d s ALA 149 Cb 0.02 0.55 0.11 0.00 0.00 0.00 0.00 23.12 23.80 3i3d s ALA 149 CO 0.12 -0.55 0.89 -0.59 0.00 0.00 0.00 175.76 175.63 3i3d s PHE 150 N -3.58 -0.40 0.04 0.00 -0.12 -1.00 -0.58 117.98 112.34 3i3d s PHE 150 Ca 0.02 0.51 0.04 0.00 -0.05 0.00 0.00 56.93 57.45 3i3d s PHE 150 Cb 0.02 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3i3d s PHE 150 CO -0.10 -0.48 -0.05 -1.01 -0.05 0.00 0.00 175.22 173.52 3i3d s HIS 151 N -2.08 2.89 -0.03 3.49 3.76 -0.74 -1.80 115.29 120.77 3i3d s HIS 151 Ca -0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 55.06 54.91 3i3d s HIS 151 Cb -0.01 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 32.11 3i3d s HIS 151 CO -0.02 0.41 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.92 3i3d s LEU 152 N -1.79 1.98 0.05 0.89 2.96 0.48 -1.86 118.68 121.40 3i3d s LEU 152 Ca 0.20 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.79 3i3d s LEU 152 Cb -0.11 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 3i3d s LEU 152 CO 0.11 0.20 -0.14 0.26 -1.32 0.00 0.00 176.35 175.46 3i3d s TRP 153 N -0.19 1.22 -0.08 5.38 0.51 0.06 0.71 118.94 126.56 3i3d s TRP 153 Ca 0.01 -0.39 -0.01 0.00 -2.12 0.00 0.00 56.10 53.59 3i3d s TRP 153 Cb -0.10 -0.71 0.03 0.00 -0.81 0.00 0.00 33.47 31.87 3i3d s TRP 153 CO 0.01 0.04 -0.03 0.00 -0.51 0.00 0.00 176.95 176.47 3i3d n ASN 155 N 4.94 -3.18 0.00 0.00 3.02 -0.19 -1.61 115.26 118.24 3i3d n ASN 155 Ca -0.11 -0.83 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 35.89 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 3.10 3.82 7.41 0.00 -1.24 -5.02 105.19 111.59 3i3d n GLY 156 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.27 3.98 0.08 1.61 0.52 -0.64 -4.93 118.95 119.30 3i3d s ARG 157 Ca 0.00 0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 55.30 3i3d s ARG 157 Cb 0.00 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 32.15 3i3d s ARG 157 CO 0.00 0.61 1.39 -0.46 0.02 0.00 0.00 175.30 176.86 3i3d s TRP 158 N -0.82 3.12 -0.13 -0.53 -0.00 -1.26 -0.10 118.94 119.21 3i3d s TRP 158 Ca 0.23 0.92 -0.14 0.00 -0.00 0.00 0.00 56.10 57.11 3i3d s TRP 158 Cb -0.16 -3.67 -0.05 0.00 -0.00 0.00 0.00 33.47 29.59 3i3d s TRP 158 CO 0.12 -2.38 -0.27 0.28 -0.00 0.00 0.00 176.95 174.71 3i3d n VAL 159 N 4.17 1.22 -3.49 5.86 0.31 0.22 -4.90 118.33 121.72 3i3d n VAL 159 Ca 0.12 0.21 -0.02 0.00 -0.01 0.00 0.00 64.34 64.64 3i3d n VAL 159 Cb 0.43 -2.16 0.01 0.00 -0.91 0.00 0.00 33.84 31.21 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 1.59 1.26 2.99 2.92 0.00 -1.14 -4.77 105.19 108.04 3i3d n GLY 160 Ca -0.11 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -5.18 0.41 0.02 1.61 5.04 -0.72 -0.38 117.35 118.15 3i3d s TYR 161 Ca 0.08 -0.35 -0.13 0.00 -2.44 0.00 0.00 57.07 54.23 3i3d s TYR 161 Cb -0.02 -0.26 0.02 0.00 0.35 0.00 0.00 41.96 42.05 3i3d s TYR 161 CO 0.03 -0.09 0.29 0.20 -1.34 0.00 0.00 175.55 174.64 3i3d s GLY 162 N -1.02 -0.11 0.35 8.97 0.00 -0.74 -0.33 107.32 114.43 3i3d s GLY 162 Ca -0.08 0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.74 3i3d s GLY 162 CO -0.00 -0.15 0.14 1.20 0.00 0.00 0.00 173.10 174.29 3i3d s GLN 163 N -2.16 1.75 0.00 2.90 -0.21 -0.41 -2.36 119.66 119.17 3i3d s GLN 163 Ca -0.08 -2.03 0.00 0.00 0.02 0.00 0.00 55.36 53.27 3i3d s GLN 163 Cb -0.02 -0.37 0.00 0.00 1.00 0.00 0.00 33.01 33.62 3i3d s GLN 163 CO -0.01 -0.45 0.00 -3.47 -2.12 0.00 0.00 175.29 169.24 3i3d n ASP 164 N -1.10 -1.68 0.00 5.90 -0.08 -1.25 -4.91 116.55 113.44 3i3d n ASP 164 Ca -0.02 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.31 3i3d n ASP 164 Cb 0.65 -0.84 0.26 0.00 2.34 0.00 0.00 41.12 43.53 3i3d n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3i3d n SER 165 N 0.00 0.00 -0.23 1.67 7.64 -1.26 -3.53 113.62 117.91 3i3d n SER 165 Ca 0.00 0.28 0.02 0.00 1.01 0.00 0.00 58.87 60.18 3i3d n SER 165 Cb 0.00 -0.37 0.05 0.00 -1.01 0.00 0.00 64.21 62.88 3i3d n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i3d n ARG 166 N -1.37 2.28 -4.22 1.43 5.12 -1.26 -3.98 116.66 114.65 3i3d n ARG 166 Ca 0.04 -1.52 -0.19 0.00 -1.93 0.00 0.00 57.85 54.25 3i3d n ARG 166 Cb 0.10 -1.10 -0.12 0.00 -1.16 0.00 0.00 32.46 30.18 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 -0.87 2.24 0.38 0.55 1.43 -1.23 -4.49 118.68 116.69 3i3d s LEU 167 Ca 0.08 -0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.35 3i3d s LEU 167 Cb 0.04 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.64 3i3d s LEU 167 CO 0.06 -0.04 1.34 -2.16 0.23 0.00 0.00 176.35 175.77 3i3d s PRO 168 N -1.53 4.07 -0.15 1.29 0.04 -1.19 -4.57 135.00 132.97 3i3d s PRO 168 Ca -0.01 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3i3d s PRO 168 Cb -0.09 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.58 3i3d s PRO 168 CO 0.02 -0.44 -0.15 -1.12 0.04 0.00 0.00 177.00 175.35 3i3d s SER 169 N -0.57 3.67 -0.02 6.66 0.01 -0.05 -4.95 113.70 118.46 3i3d s SER 169 Ca 0.54 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 57.41 3i3d s SER 169 Cb -0.40 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 3i3d s SER 169 CO 0.53 0.09 -0.22 -1.61 0.41 0.00 0.00 173.24 172.44 3i3d s GLU 170 N 0.77 2.18 -0.02 12.44 2.02 -1.26 -1.38 118.70 133.45 3i3d s GLU 170 Ca -0.06 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.05 3i3d s GLU 170 Cb -0.15 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 31.95 3i3d s GLU 170 CO 0.01 0.57 -0.04 -0.06 0.02 0.00 0.00 175.26 175.76 3i3d s PHE 171 N -0.69 0.46 -0.08 1.61 0.40 -0.67 -0.22 117.98 118.79 3i3d s PHE 171 Ca 0.11 -0.09 -0.30 0.00 -0.60 0.00 0.00 56.93 56.06 3i3d s PHE 171 Cb -0.10 -0.37 -0.03 0.00 0.51 0.00 0.00 43.02 43.03 3i3d s PHE 171 CO 0.00 -0.06 1.27 0.34 0.70 0.00 0.00 175.22 177.47 3i3d s ASP 172 N 0.28 6.97 -0.01 1.36 -1.08 -1.26 -1.02 116.67 121.91 3i3d s ASP 172 Ca -0.03 1.84 0.09 0.00 -0.52 0.00 0.00 52.55 53.93 3i3d s ASP 172 Cb -0.06 -2.55 0.26 0.00 -1.46 0.00 0.00 42.92 39.11 3i3d s ASP 172 CO -0.00 -0.67 1.22 0.18 0.52 0.00 0.00 175.17 176.41 3i3d n LEU 173 N 5.75 2.81 -0.22 -1.34 4.77 0.72 -4.72 117.00 124.77 3i3d n LEU 173 Ca 0.12 -2.08 0.02 0.00 -0.03 0.00 0.00 56.01 54.05 3i3d n LEU 173 Cb 0.45 -0.21 0.14 0.00 -2.33 0.00 0.00 43.42 41.47 3i3d n LEU 173 CO 0.56 0.69 0.97 0.28 -1.33 0.00 0.00 177.39 178.56 3i3d h SER 174 N 1.62 0.15 -0.00 -1.43 0.02 -1.85 -0.82 113.55 111.24 3i3d h SER 174 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3i3d h SER 174 Cb 0.74 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3i3d h SER 174 CO 0.01 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.78 3i3d n ALA 175 N -2.54 2.67 -0.07 3.77 0.00 -1.26 -3.96 120.51 119.13 3i3d n ALA 175 Ca 0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 3i3d n ALA 175 Cb 0.35 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.85 0.00 -0.72 0.00 3.01 -0.40 -5.04 117.46 113.46 3i3d n PHE 176 Ca 0.23 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.38 3i3d n PHE 176 Cb 0.14 -0.56 0.17 0.00 -0.01 0.00 0.00 39.48 39.22 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 -5.52 2.62 0.18 4.37 1.43 -0.70 -4.82 118.68 116.23 3i3d s LEU 177 Ca -0.15 2.08 -0.09 0.00 -1.03 0.00 0.00 54.13 54.94 3i3d s LEU 177 Cb 0.05 -4.42 -0.01 0.00 0.03 0.00 0.00 46.19 41.83 3i3d s LEU 177 CO 0.38 -3.16 0.29 0.00 0.23 0.00 0.00 176.35 174.10 3i3d s ARG 178 N -4.65 1.20 0.29 1.70 1.70 -1.26 -5.04 118.95 112.88 3i3d s ARG 178 Ca 0.66 -1.22 -0.29 0.00 -0.47 0.00 0.00 55.73 54.41 3i3d s ARG 178 Cb -0.23 0.38 -0.10 0.00 -0.57 0.00 0.00 34.95 34.44 3i3d s ARG 178 CO 0.59 -0.44 1.22 0.00 -1.08 0.00 0.00 175.30 175.58 3i3d s ALA 179 N -3.99 3.46 0.00 7.88 0.00 -1.26 -4.67 121.76 123.18 3i3d s ALA 179 Ca 0.19 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3i3d s ALA 179 Cb 0.03 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3i3d s ALA 179 CO 0.02 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3i3d n GLY 180 N 1.24 0.95 3.88 0.00 0.00 -1.26 -4.95 105.19 105.04 3i3d n GLY 180 Ca 0.01 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 3.63 0.16 1.61 2.02 -1.26 -3.92 118.70 120.93 3i3d s GLU 181 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 54.97 55.04 3i3d s GLU 181 Cb 0.00 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 3i3d s GLU 181 CO 0.00 0.65 -0.09 -0.80 0.02 0.00 0.00 175.26 175.04 3i3d s ASN 182 N -1.59 1.84 -0.03 -0.19 0.01 0.51 -4.86 114.94 110.63 3i3d s ASN 182 Ca 0.27 -1.04 -0.00 0.00 -0.71 0.00 0.00 52.86 51.37 3i3d s ASN 182 Cb -0.13 -0.01 0.03 0.00 0.41 0.00 0.00 41.25 41.54 3i3d s ASN 182 CO 0.15 -0.35 0.02 -0.60 -1.51 0.00 0.00 177.10 174.81 3i3d s ARG 183 N -3.76 0.19 0.02 -0.60 3.52 -1.26 -0.79 118.95 116.27 3i3d s ARG 183 Ca 0.19 0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.83 3i3d s ARG 183 Cb 0.03 -0.50 -0.06 0.00 -1.56 0.00 0.00 34.95 32.86 3i3d s ARG 183 CO 0.02 -0.20 0.38 -0.51 -0.81 0.00 0.00 175.30 174.18 3i3d s LEU 184 N 1.39 4.42 -0.11 -0.88 1.43 0.73 -1.02 118.68 124.63 3i3d s LEU 184 Ca -0.05 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3i3d s LEU 184 Cb -0.13 -2.70 0.03 0.00 0.03 0.00 0.00 46.19 43.42 3i3d s LEU 184 CO -0.03 0.27 -0.07 0.00 0.23 0.00 0.00 176.35 176.75 3i3d s ALA 185 N -1.20 1.29 -0.18 4.21 0.00 -0.54 -1.71 121.76 123.63 3i3d s ALA 185 Ca 0.27 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 3i3d s ALA 185 Cb -0.15 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.11 3i3d s ALA 185 CO 0.14 -0.42 -0.07 0.08 0.00 0.00 0.00 175.76 175.49 3i3d s VAL 186 N 1.73 1.29 -0.45 0.00 1.01 0.19 -0.76 120.40 123.40 3i3d s VAL 186 Ca 0.05 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 3i3d s VAL 186 Cb -0.13 -1.44 0.05 0.00 0.00 0.00 0.00 36.38 34.87 3i3d s VAL 186 CO -0.08 0.13 0.39 -0.32 0.00 0.00 0.00 175.10 175.22 3i3d s MET 187 N 1.55 3.00 -0.22 2.72 1.75 -0.78 -0.99 119.30 126.34 3i3d s MET 187 Ca -0.00 -1.14 -0.11 0.00 -1.25 0.00 0.00 55.69 53.19 3i3d s MET 187 Cb -0.16 -4.07 -0.05 0.00 2.84 0.00 0.00 34.83 33.40 3i3d s MET 187 CO -0.08 -0.94 0.17 0.08 -0.65 0.00 0.00 175.02 173.59 3i3d s VAL 188 N 1.80 5.37 -0.16 10.11 1.01 -0.06 -1.80 120.40 136.68 3i3d s VAL 188 Ca 0.06 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 3i3d s VAL 188 Cb -0.21 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3i3d s VAL 188 CO 0.09 0.38 0.14 -0.76 0.00 0.00 0.00 175.10 174.95 3i3d s LEU 189 N 0.80 4.30 0.09 3.92 1.43 0.26 -0.63 118.68 128.85 3i3d s LEU 189 Ca 0.09 0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 3i3d s LEU 189 Cb -0.13 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 3i3d s LEU 189 CO 0.02 0.29 1.46 -0.09 0.23 0.00 0.00 176.35 178.27 3i3d h ARG 190 N 5.84 0.62 -6.47 1.70 2.43 -1.56 -0.81 114.38 116.14 3i3d h ARG 190 Ca -0.48 -0.27 -0.67 0.00 -0.81 0.00 0.00 59.98 57.75 3i3d h ARG 190 Cb 1.19 -0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.54 3i3d h ARG 190 CO 0.67 0.85 -0.74 -1.58 -1.51 0.00 0.00 179.97 177.66 3i3d s TRP 191 N -4.61 2.74 0.25 2.20 0.23 -1.26 -3.99 118.94 114.50 3i3d s TRP 191 Ca -0.13 -0.14 -0.22 0.00 -2.03 0.00 0.00 56.10 53.58 3i3d s TRP 191 Cb 0.08 -1.50 0.04 0.00 0.03 0.00 0.00 33.47 32.12 3i3d s TRP 191 CO 0.80 0.36 0.80 -1.54 0.96 0.00 0.00 176.95 178.33 3i3d s SER 192 N -1.72 -0.22 0.62 2.95 1.04 -1.26 -4.89 113.70 110.23 3i3d s SER 192 Ca 0.18 -0.58 0.37 0.00 0.48 0.00 0.00 55.95 56.40 3i3d s SER 192 Cb -0.11 0.66 2.02 0.00 0.10 0.00 0.00 66.02 68.69 3i3d s SER 192 CO 0.09 -1.23 2.13 -2.24 0.98 0.00 0.00 173.24 172.97 3i3d h ASP 193 N 2.00 0.00 0.79 7.02 3.04 -0.40 0.41 116.42 129.28 3i3d h ASP 193 Ca -0.21 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.52 3i3d h ASP 193 Cb 1.24 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 3i3d h ASP 193 CO 0.25 0.00 -0.25 1.23 -2.04 0.00 0.00 179.24 178.43 3i3d h GLY 194 N 0.00 0.00 2.00 7.15 0.00 -1.92 -2.83 103.07 107.47 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 0.00 0.00 -0.11 1.76 0.00 0.00 0.00 176.54 178.19 3i3d h SER 195 N 0.00 0.00 0.53 0.19 0.02 -0.53 -1.20 113.55 112.55 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 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3i3d h SER 195 CO 0.03 0.11 0.00 1.88 -1.14 0.00 0.00 176.83 177.71 3i3d h TYR 196 N 0.00 0.00 -0.46 3.45 -1.99 -1.63 -1.76 116.97 114.58 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 0.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.00 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 -2.98 3.50 -2.75 3.88 4.77 -0.46 -4.44 117.00 118.51 3i3d n LEU 197 Ca -0.01 -2.17 -0.20 0.00 -0.03 0.00 0.00 56.01 53.61 3i3d n LEU 197 Cb 0.19 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3i3d n LEU 197 CO 0.23 0.79 0.01 -0.62 -1.33 0.00 0.00 177.39 176.47 3i3d n GLU 198 N 0.74 2.24 -1.07 3.23 1.02 -0.66 -1.22 120.64 124.91 3i3d n GLU 198 Ca 0.17 -3.98 -0.23 0.00 -0.02 0.00 0.00 57.16 53.10 3i3d n GLU 198 Cb 0.58 -1.84 0.12 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.17 4.88 -4.72 1.62 2.03 -0.11 -4.98 116.55 115.10 3i3d n ASP 199 Ca 0.26 -3.40 -0.36 0.00 0.52 0.00 0.00 54.79 51.80 3i3d n ASP 199 Cb 0.66 -0.86 0.08 0.00 -0.72 0.00 0.00 41.12 40.28 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 -2.87 2.31 -1.07 -0.67 1.11 -1.26 -4.64 119.66 112.56 3i3d s GLN 200 Ca 0.49 2.00 -0.22 0.00 0.01 0.00 0.00 55.36 57.64 3i3d s GLN 200 Cb 0.40 -1.82 0.05 0.00 -1.01 0.00 0.00 33.01 30.63 3i3d s GLN 200 CO 0.06 -1.77 1.55 0.34 0.01 0.00 0.00 175.29 175.48 3i3d s ASP 201 N -1.57 6.46 0.24 5.90 2.15 -1.26 -4.85 116.67 123.74 3i3d s ASP 201 Ca 0.81 -1.61 -0.21 0.00 0.43 0.00 0.00 52.55 51.96 3i3d s ASP 201 Cb -0.36 -2.57 0.05 0.00 -0.30 0.00 0.00 42.92 39.75 3i3d s ASP 201 CO 0.43 -1.54 0.89 0.00 -0.17 0.00 0.00 175.17 174.77 3i3d s MET 202 N 4.97 1.60 0.38 4.34 0.23 -1.26 -5.01 119.30 124.56 3i3d s MET 202 Ca 0.49 -0.96 -0.27 0.00 -1.03 0.00 0.00 55.69 53.93 3i3d s MET 202 Cb 0.00 0.49 -0.10 0.00 -1.53 0.00 0.00 34.83 33.70 3i3d s MET 202 CO -0.05 -0.74 1.39 -1.58 -2.03 0.00 0.00 175.02 172.00 3i3d s TRP 203 N -2.95 2.74 -0.39 3.16 0.52 -1.26 -4.26 118.94 116.50 3i3d s TRP 203 Ca 0.15 1.31 -0.14 0.00 0.02 0.00 0.00 56.10 57.43 3i3d s TRP 203 Cb -0.04 -3.83 0.01 0.00 -1.15 0.00 0.00 33.47 28.46 3i3d s TRP 203 CO 0.06 -2.47 0.28 1.03 0.02 0.00 0.00 176.95 175.86 3i3d s ARG 204 N -2.11 3.08 0.00 4.98 1.81 0.24 -4.93 118.95 122.02 3i3d s ARG 204 Ca 0.54 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.61 3i3d s ARG 204 Cb -0.42 -3.92 0.00 0.00 -0.45 0.00 0.00 34.95 30.16 3i3d s ARG 204 CO 0.56 -0.67 0.00 -1.33 -0.68 0.00 0.00 175.30 173.18 3i3d n MET 205 N 5.13 2.02 -3.78 3.54 2.81 -1.26 -2.42 117.12 123.16 3i3d n MET 205 Ca -0.11 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.74 3i3d n MET 205 Cb 0.48 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.98 3i3d n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3i3d s SER 206 N -0.33 -0.14 0.00 7.83 1.04 -1.26 -4.83 113.70 116.01 3i3d s SER 206 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3i3d s SER 206 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3i3d s SER 206 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 3i3d n GLY 207 N -0.51 -0.08 3.47 7.32 0.00 0.69 -2.80 105.19 113.27 3i3d n GLY 207 Ca -0.06 -2.28 -0.44 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.60 4.77 -1.81 -0.61 1.01 -1.21 -0.62 121.20 122.13 3i3d s ILE 208 Ca 0.00 -1.92 0.25 0.00 0.00 0.00 0.00 60.65 58.98 3i3d s ILE 208 Cb 0.00 -4.86 0.20 0.00 0.01 0.00 0.00 42.46 37.81 3i3d s ILE 208 CO 0.00 -1.59 1.45 2.22 0.00 0.00 0.00 174.94 177.01 3i3d n PHE 209 N 6.44 0.00 -4.47 3.97 1.16 -0.83 -0.44 117.46 123.28 3i3d n PHE 209 Ca 0.30 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.65 3i3d n PHE 209 Cb 0.47 -0.09 -0.10 0.00 -1.61 0.00 0.00 39.48 38.14 3i3d n PHE 209 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3i3d s ARG 210 N -2.51 1.65 0.71 3.97 0.52 -1.12 -4.39 118.95 117.78 3i3d s ARG 210 Ca 0.23 -1.83 -0.17 0.00 -0.52 0.00 0.00 55.73 53.44 3i3d s ARG 210 Cb 0.19 -1.43 -0.10 0.00 0.52 0.00 0.00 34.95 34.13 3i3d s ARG 210 CO 0.54 0.12 0.01 -0.25 0.02 0.00 0.00 175.30 175.74 3i3d n ASP 211 N -0.65 -3.11 -4.07 0.23 8.00 -1.26 -4.32 116.55 111.37 3i3d n ASP 211 Ca -0.05 0.52 -0.24 0.00 0.71 0.00 0.00 54.79 55.73 3i3d n ASP 211 Cb 0.63 -0.99 -0.16 0.00 -0.02 0.00 0.00 41.12 40.58 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 -1.97 1.17 0.24 2.53 1.01 -1.26 -1.26 120.40 120.87 3i3d s VAL 212 Ca 0.57 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 3i3d s VAL 212 Cb -0.36 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3i3d s VAL 212 CO 0.66 0.35 0.47 -0.94 0.00 0.00 0.00 175.10 175.64 3i3d s SER 213 N 0.23 -0.09 -0.06 3.32 1.04 -0.45 -0.18 113.70 117.50 3i3d s SER 213 Ca -0.06 -0.89 0.06 0.00 0.48 0.00 0.00 55.95 55.53 3i3d s SER 213 Cb -0.12 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 3i3d s SER 213 CO 0.02 -1.11 -0.25 -0.76 0.98 0.00 0.00 173.24 172.12 3i3d s LEU 214 N -3.00 2.06 -0.11 2.42 1.43 0.11 0.16 118.68 121.75 3i3d s LEU 214 Ca 0.21 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3i3d s LEU 214 Cb -0.00 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.88 3i3d s LEU 214 CO 0.07 0.23 -0.12 -0.22 0.23 0.00 0.00 176.35 176.55 3i3d s LEU 215 N -0.11 1.52 -0.31 1.79 2.96 -0.18 -0.13 118.68 124.22 3i3d s LEU 215 Ca -0.05 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 3i3d s LEU 215 Cb -0.14 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 3i3d s LEU 215 CO 0.04 -0.04 0.15 -2.28 -1.32 0.00 0.00 176.35 172.91 3i3d s HIS 216 N 1.25 3.18 0.18 5.38 5.65 0.48 -1.46 115.29 129.95 3i3d s HIS 216 Ca -0.02 -0.52 0.11 0.00 0.25 0.00 0.00 55.06 54.88 3i3d s HIS 216 Cb -0.14 -2.36 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 3i3d s HIS 216 CO -0.04 -0.43 -0.23 0.15 -0.65 0.00 0.00 174.74 173.53 3i3d s LYS 217 N 1.62 1.46 0.93 2.88 1.02 0.09 -4.83 119.74 122.90 3i3d s LYS 217 Ca 0.05 -1.48 -0.11 0.00 0.02 0.00 0.00 55.97 54.44 3i3d s LYS 217 Cb -0.17 -1.75 0.15 0.00 -0.52 0.00 0.00 37.83 35.53 3i3d s LYS 217 CO 0.07 0.38 1.09 -2.14 -0.92 0.00 0.00 175.35 173.83 3i3d s PRO 218 N -2.62 1.00 0.21 -1.68 0.02 -1.26 0.12 135.00 130.80 3i3d s PRO 218 Ca 0.19 1.03 -0.04 0.00 0.02 0.00 0.00 61.00 62.20 3i3d s PRO 218 Cb -0.08 -1.76 0.18 0.00 0.02 0.00 0.00 34.50 32.86 3i3d s PRO 218 CO 0.09 -2.48 1.60 1.15 -0.33 0.00 0.00 177.00 177.03 3i3d h THR 219 N -1.73 1.28 -3.40 0.99 2.02 -1.94 -3.34 112.91 106.79 3i3d h THR 219 Ca -0.49 -1.46 -0.69 0.00 0.77 0.00 0.00 66.41 64.54 3i3d h THR 219 Cb 1.28 1.38 -0.18 0.00 -1.74 0.00 0.00 68.15 68.89 3i3d h THR 219 CO 0.51 0.47 -0.08 -0.89 0.37 0.00 0.00 175.52 175.90 3i3d s THR 220 N -4.42 4.99 0.14 3.16 2.01 -1.26 -3.78 115.64 116.49 3i3d s THR 220 Ca -0.09 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.48 3i3d s THR 220 Cb 0.13 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3i3d s THR 220 CO 0.83 -0.61 0.03 0.00 -0.69 0.00 0.00 174.62 174.18 3i3d s GLN 221 N 2.35 0.98 -0.37 4.92 -2.07 -0.58 -4.89 119.66 120.00 3i3d s GLN 221 Ca 0.14 -1.46 -0.26 0.00 -1.82 0.00 0.00 55.36 51.95 3i3d s GLN 221 Cb -0.18 0.04 0.02 0.00 -1.09 0.00 0.00 33.01 31.80 3i3d s GLN 221 CO 0.13 -0.20 0.95 0.42 -1.32 0.00 0.00 175.29 175.27 3i3d s ILE 222 N -3.89 4.55 -1.30 3.63 1.01 -1.26 -1.27 121.20 122.67 3i3d s ILE 222 Ca 0.23 1.23 0.22 0.00 0.00 0.00 0.00 60.65 62.33 3i3d s ILE 222 Cb 0.07 -4.36 -0.16 0.00 0.01 0.00 0.00 42.46 38.02 3i3d s ILE 222 CO 0.02 -0.57 0.97 -1.54 0.00 0.00 0.00 174.94 173.82 3i3d n SER 223 N 6.86 1.29 0.00 3.58 3.41 0.67 -4.93 113.62 124.50 3i3d n SER 223 Ca 0.08 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 3i3d n SER 223 Cb 0.48 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 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 -1.07 0.00 -3.63 4.04 2.03 -1.11 -4.89 116.55 111.92 3i3d n ASP 224 Ca 0.06 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.25 3i3d n ASP 224 Cb 0.37 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.81 -0.08 -0.67 -0.12 -1.26 0.20 117.98 113.25 3i3d s PHE 225 Ca 0.00 1.87 0.05 0.00 -0.05 0.00 0.00 56.93 58.80 3i3d s PHE 225 Cb 0.00 0.36 -0.00 0.00 -0.63 0.00 0.00 43.02 42.74 3i3d s PHE 225 CO 0.00 -0.39 -0.24 -1.01 -0.05 0.00 0.00 175.22 173.52 3i3d s HIS 226 N 0.64 2.51 -0.13 3.49 3.76 0.64 -4.85 115.29 121.34 3i3d s HIS 226 Ca -0.02 -0.90 -0.02 0.00 -0.15 0.00 0.00 55.06 53.97 3i3d s HIS 226 Cb -0.05 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 3i3d s HIS 226 CO -0.04 -0.33 -0.07 0.08 -0.85 0.00 0.00 174.74 173.53 3i3d s VAL 227 N 0.11 3.61 0.08 -0.90 1.01 -1.26 -0.94 120.40 122.11 3i3d s VAL 227 Ca -0.12 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3i3d s VAL 227 Cb -0.16 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3i3d s VAL 227 CO 0.07 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 175.60 3i3d s ALA 228 N 0.16 0.95 -0.06 5.51 0.00 -0.12 -4.85 121.76 123.36 3i3d s ALA 228 Ca -0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 3i3d s ALA 228 Cb -0.14 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3i3d s ALA 228 CO 0.03 -0.06 0.01 0.95 0.00 0.00 0.00 175.76 176.70 3i3d s THR 229 N -2.34 0.27 0.19 0.00 -4.23 -1.26 -0.94 115.64 107.33 3i3d s THR 229 Ca 0.02 0.18 0.07 0.00 -1.18 0.00 0.00 61.69 60.78 3i3d s THR 229 Cb -0.03 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 3i3d s THR 229 CO -0.01 0.23 0.05 -0.13 -0.54 0.00 0.00 174.62 174.23 3i3d s ARG 230 N 1.91 2.57 0.17 3.99 0.52 -0.52 -4.85 118.95 122.75 3i3d s ARG 230 Ca 0.03 -1.09 0.02 0.00 -0.52 0.00 0.00 55.73 54.18 3i3d s ARG 230 Cb -0.12 -2.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 3i3d s ARG 230 CO -0.04 0.44 -0.01 -0.06 0.02 0.00 0.00 175.30 175.65 3i3d s PHE 231 N -1.86 1.25 0.84 -0.53 0.40 -1.26 -1.29 117.98 115.53 3i3d s PHE 231 Ca 0.29 -0.97 -0.07 0.00 -0.60 0.00 0.00 56.93 55.58 3i3d s PHE 231 Cb -0.09 -0.71 0.17 0.00 0.51 0.00 0.00 43.02 42.91 3i3d s PHE 231 CO 0.21 -0.15 1.16 0.54 0.70 0.00 0.00 175.22 177.67 3i3d s ASN 232 N -3.18 3.67 0.25 1.36 4.22 -0.80 -4.94 114.94 115.52 3i3d s ASN 232 Ca 0.23 -0.18 -0.04 0.00 -2.14 0.00 0.00 52.86 50.74 3i3d s ASN 232 Cb 0.06 0.02 0.48 0.00 1.28 0.00 0.00 41.25 43.09 3i3d s ASN 232 CO 0.04 -2.34 1.71 -2.24 -2.04 0.00 0.00 177.10 172.24 3i3d h ASP 233 N -1.07 0.21 -0.47 3.54 3.04 -2.02 -2.48 116.42 117.17 3i3d h ASP 233 Ca -0.39 0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 3i3d h ASP 233 Cb 1.24 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.66 3i3d h ASP 233 CO 0.36 0.05 0.00 -0.90 -2.04 0.00 0.00 179.24 176.72 3i3d n ASP 234 N -5.05 4.77 -2.05 4.15 5.75 -1.26 -4.95 116.55 117.91 3i3d n ASP 234 Ca 0.15 -2.81 -0.17 0.00 -0.01 0.00 0.00 54.79 51.94 3i3d n ASP 234 Cb 0.45 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.33 -0.77 0.97 2.11 3.01 -0.94 -4.83 117.46 117.33 3i3d n PHE 235 Ca 0.24 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.82 3i3d n PHE 235 Cb 0.99 -3.31 0.25 0.00 -0.01 0.00 0.00 39.48 37.40 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 -1.55 0.50 -3.94 4.37 3.41 -1.26 -4.53 113.62 110.62 3i3d n SER 236 Ca -0.19 -0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.10 3i3d n SER 236 Cb 0.62 0.23 -0.13 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 0.23 0.05 4.33 0.52 -1.26 0.73 118.95 120.52 3i3d s ARG 237 Ca 0.11 -0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3i3d s ARG 237 Cb 0.17 -0.04 -0.02 0.00 0.52 0.00 0.00 34.95 35.59 3i3d s ARG 237 CO 0.70 -0.00 0.07 0.00 0.02 0.00 0.00 175.30 176.09 3i3d s ALA 238 N -0.73 0.06 -0.13 2.13 0.00 -0.18 -1.91 121.76 121.01 3i3d s ALA 238 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3i3d s ALA 238 Cb -0.05 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3i3d s ALA 238 CO -0.00 -0.34 -0.11 0.08 0.00 0.00 0.00 175.76 175.38 3i3d s VAL 239 N -2.99 1.30 -0.21 0.00 1.01 -0.41 -0.78 120.40 118.32 3i3d s VAL 239 Ca -0.02 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3i3d s VAL 239 Cb 0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3i3d s VAL 239 CO -0.06 0.41 0.31 -0.22 0.00 0.00 0.00 175.10 175.54 3i3d s LEU 240 N 1.53 4.15 -0.16 3.92 0.20 0.44 -1.44 118.68 127.32 3i3d s LEU 240 Ca 0.04 0.38 0.01 0.00 0.69 0.00 0.00 54.13 55.24 3i3d s LEU 240 Cb -0.13 -2.37 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 3i3d s LEU 240 CO -0.09 -0.02 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.08 3i3d s GLU 241 N 1.18 3.15 -0.14 1.98 2.12 -0.12 -0.27 118.70 126.60 3i3d s GLU 241 Ca 0.15 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.71 3i3d s GLU 241 Cb -0.14 -2.59 0.02 0.00 0.26 0.00 0.00 34.13 31.68 3i3d s GLU 241 CO 0.07 -0.03 -0.17 0.00 -0.54 0.00 0.00 175.26 174.58 3i3d s ALA 242 N 0.90 1.99 -0.24 6.30 0.00 0.21 -0.94 121.76 129.99 3i3d s ALA 242 Ca -0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 3i3d s ALA 242 Cb -0.15 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 3i3d s ALA 242 CO -0.02 -0.19 0.14 -2.00 0.00 0.00 0.00 175.76 173.68 3i3d s GLU 243 N 1.13 3.99 -0.09 0.00 2.12 -0.12 -0.35 118.70 125.38 3i3d s GLU 243 Ca -0.02 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.04 3i3d s GLU 243 Cb -0.14 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 3i3d s GLU 243 CO -0.06 0.03 -0.22 0.08 -0.54 0.00 0.00 175.26 174.55 3i3d s VAL 244 N 1.12 2.31 0.00 3.70 1.01 0.23 -0.26 120.40 128.51 3i3d s VAL 244 Ca 0.07 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3i3d s VAL 244 Cb -0.14 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3i3d s VAL 244 CO 0.05 0.56 -0.18 -1.10 0.00 0.00 0.00 175.10 174.43 3i3d s GLN 245 N 0.12 2.23 0.28 2.72 -0.21 0.13 -1.80 119.66 123.13 3i3d s GLN 245 Ca -0.11 -0.87 0.07 0.00 0.02 0.00 0.00 55.36 54.47 3i3d s GLN 245 Cb -0.16 -2.24 -0.06 0.00 1.00 0.00 0.00 33.01 31.56 3i3d s GLN 245 CO 0.06 0.57 -0.06 0.00 -2.12 0.00 0.00 175.29 173.74 3i3d s MET 246 N -1.08 1.57 0.15 2.91 0.23 -0.56 -0.24 119.30 122.28 3i3d s MET 246 Ca 0.13 -1.80 0.05 0.00 -1.03 0.00 0.00 55.69 53.05 3i3d s MET 246 Cb -0.10 -1.18 -0.04 0.00 -1.53 0.00 0.00 34.83 31.97 3i3d s MET 246 CO 0.03 0.04 -0.11 0.00 -2.03 0.00 0.00 175.02 172.95 3i3d n GLY 248 N -0.05 -0.70 3.70 0.00 0.00 -1.25 -1.53 105.19 105.37 3i3d n GLY 248 Ca -0.11 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.33 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 0.00 4.41 0.02 1.61 2.12 -1.26 -5.01 118.70 120.58 3i3d s GLU 249 Ca 0.00 0.94 -0.30 0.00 0.36 0.00 0.00 54.97 55.97 3i3d s GLU 249 Cb 0.00 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 3i3d s GLU 249 CO 0.00 -0.04 0.99 -0.51 -0.54 0.00 0.00 175.26 175.16 3i3d s LEU 250 N 1.14 4.39 0.02 2.70 1.43 -1.26 -4.98 118.68 122.10 3i3d s LEU 250 Ca 0.38 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 55.21 3i3d s LEU 250 Cb -0.18 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 3i3d s LEU 250 CO 0.17 -0.24 -0.12 -0.13 0.23 0.00 0.00 176.35 176.26 3i3d s ARG 251 N 0.89 0.89 0.51 1.70 1.81 -1.26 -5.04 118.95 118.45 3i3d s ARG 251 Ca 0.52 -0.58 0.35 0.00 -1.72 0.00 0.00 55.73 54.29 3i3d s ARG 251 Cb -0.22 -0.86 1.75 0.00 -0.45 0.00 0.00 34.95 35.17 3i3d s ARG 251 CO 0.28 0.22 2.05 -0.44 -0.68 0.00 0.00 175.30 176.74 3i3d h ASP 252 N 5.36 0.00 1.05 0.23 3.32 -2.00 -1.81 116.42 122.59 3i3d h ASP 252 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3i3d h ASP 252 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3i3d h ASP 252 CO 0.46 0.00 -0.39 0.00 -1.72 0.00 0.00 179.24 177.60 3i3d n TYR 253 N -2.79 0.63 -1.93 4.55 0.18 -1.26 -4.89 117.16 111.65 3i3d n TYR 253 Ca -0.01 0.18 -0.40 0.00 1.88 0.00 0.00 57.90 59.55 3i3d n TYR 253 Cb 0.13 -0.73 -0.00 0.00 -0.38 0.00 0.00 39.34 38.36 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 -4.22 4.30 0.10 -3.48 1.43 -0.68 -0.34 118.68 115.79 3i3d s LEU 254 Ca 0.08 2.86 -0.04 0.00 -1.03 0.00 0.00 54.13 56.01 3i3d s LEU 254 Cb 0.13 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 3i3d s LEU 254 CO 0.67 -0.82 0.09 -0.13 0.23 0.00 0.00 176.35 176.39 3i3d s ARG 255 N -2.09 0.82 -0.05 1.70 1.81 0.70 -4.00 118.95 117.84 3i3d s ARG 255 Ca 0.54 -1.21 0.02 0.00 -1.72 0.00 0.00 55.73 53.35 3i3d s ARG 255 Cb -0.43 0.27 0.02 0.00 -0.45 0.00 0.00 34.95 34.36 3i3d s ARG 255 CO 0.57 -0.23 -0.08 0.08 -0.68 0.00 0.00 175.30 174.96 3i3d s VAL 256 N -3.95 0.82 -0.08 3.52 1.01 0.02 -1.04 120.40 120.70 3i3d s VAL 256 Ca 0.12 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3i3d s VAL 256 Cb 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.67 3i3d s VAL 256 CO -0.06 0.28 -0.20 -0.89 0.00 0.00 0.00 175.10 174.24 3i3d s THR 257 N 0.75 1.73 -0.20 3.92 2.01 -0.37 -1.84 115.64 121.63 3i3d s THR 257 Ca -0.13 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 3i3d s THR 257 Cb -0.15 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.87 3i3d s THR 257 CO 0.02 0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.61 3i3d s VAL 258 N 0.38 2.57 -0.07 3.82 1.01 -0.17 -0.65 120.40 127.29 3i3d s VAL 258 Ca -0.16 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3i3d s VAL 258 Cb -0.17 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3i3d s VAL 258 CO 0.07 0.46 -0.13 -0.44 0.00 0.00 0.00 175.10 175.06 3i3d s SER 259 N 1.35 4.15 -0.16 3.32 0.01 -0.53 -1.48 113.70 120.36 3i3d s SER 259 Ca 0.05 -0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 3i3d s SER 259 Cb -0.14 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.01 3i3d s SER 259 CO -0.09 0.31 -0.06 -0.22 0.41 0.00 0.00 173.24 173.60 3i3d s LEU 260 N -0.53 3.08 0.19 2.44 2.96 -0.06 -0.45 118.68 126.31 3i3d s LEU 260 Ca 0.07 -0.21 0.10 0.00 -0.22 0.00 0.00 54.13 53.87 3i3d s LEU 260 Cb -0.12 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3i3d s LEU 260 CO 0.02 0.13 -0.21 0.26 -1.32 0.00 0.00 176.35 175.23 3i3d s TRP 261 N 0.56 2.11 -0.35 5.38 0.52 0.12 -1.06 118.94 126.21 3i3d s TRP 261 Ca -0.04 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.68 3i3d s TRP 261 Cb -0.15 -1.03 0.11 0.00 -1.15 0.00 0.00 33.47 31.26 3i3d s TRP 261 CO 0.03 0.46 0.14 -1.14 0.02 0.00 0.00 176.95 176.46 3i3d s GLN 262 N -2.82 0.87 6.62 4.98 2.00 0.30 -1.14 119.66 130.47 3i3d s GLN 262 Ca 0.20 -1.37 0.00 0.00 -2.00 0.00 0.00 55.36 52.19 3i3d s GLN 262 Cb -0.07 -2.06 0.00 0.00 0.80 0.00 0.00 33.01 31.68 3i3d s GLN 262 CO 0.09 -1.05 0.00 0.41 -0.50 0.00 0.00 175.29 174.24 3i3d n GLY 263 N 4.42 1.89 1.22 2.59 0.00 -1.26 -1.69 105.19 112.36 3i3d n GLY 263 Ca 0.02 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 13.00 2.86 -3.87 1.61 1.02 -1.26 -4.88 120.64 129.12 3i3d n GLU 264 Ca 0.00 -2.19 -0.35 0.00 -0.02 0.00 0.00 57.16 54.60 3i3d n GLU 264 Cb 0.00 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 29.67 3i3d n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3d s THR 265 N -1.58 4.93 -0.18 2.62 2.01 -0.68 -5.07 115.64 117.69 3i3d s THR 265 Ca 0.40 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 3i3d s THR 265 Cb 0.24 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 3i3d s THR 265 CO 0.22 0.41 0.70 -1.58 -0.69 0.00 0.00 174.62 173.68 3i3d s GLN 266 N 0.69 4.25 -0.11 4.92 0.74 -1.26 -0.54 119.66 128.35 3i3d s GLN 266 Ca 0.05 0.76 0.20 0.00 0.05 0.00 0.00 55.36 56.42 3i3d s GLN 266 Cb -0.13 -3.57 -0.30 0.00 1.10 0.00 0.00 33.01 30.12 3i3d s GLN 266 CO 0.02 -0.25 0.28 1.33 -0.55 0.00 0.00 175.29 176.12 3i3d n VAL 267 N 4.65 0.66 -3.44 1.34 0.24 -0.23 -4.97 118.33 116.58 3i3d n VAL 267 Ca 0.00 -0.67 -0.13 0.00 -2.04 0.00 0.00 64.34 61.51 3i3d n VAL 267 Cb 0.49 -0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 32.62 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 -3.02 -1.64 -0.06 2.33 0.00 -1.19 -5.00 121.76 113.18 3i3d s ALA 268 Ca -0.09 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 3i3d s ALA 268 Cb 0.10 0.71 0.07 0.00 0.00 0.00 0.00 23.12 24.00 3i3d s ALA 268 CO 0.87 -0.69 0.69 0.45 0.00 0.00 0.00 175.76 177.07 3i3d s SER 269 N -2.46 -0.65 -0.07 0.00 0.15 -1.26 -0.88 113.70 108.52 3i3d s SER 269 Ca -0.01 0.72 -0.07 0.00 0.70 0.00 0.00 55.95 57.29 3i3d s SER 269 Cb -0.01 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.87 3i3d s SER 269 CO -0.09 -0.60 0.20 -0.83 1.20 0.00 0.00 173.24 173.12 3i3d s GLY 270 N -1.17 -0.15 0.02 9.45 0.00 -0.55 -4.93 107.32 110.00 3i3d s GLY 270 Ca -0.11 0.55 0.03 0.00 0.00 0.00 0.00 44.72 45.20 3i3d s GLY 270 CO 0.10 0.47 -0.11 -1.59 0.00 0.00 0.00 173.10 171.97 3i3d s THR 271 N 0.06 0.83 -0.01 0.90 2.01 -1.26 -1.00 115.64 117.17 3i3d s THR 271 Ca -0.00 -0.78 -0.28 0.00 0.31 0.00 0.00 61.69 60.93 3i3d s THR 271 Cb -0.02 -0.76 0.10 0.00 0.01 0.00 0.00 72.50 71.83 3i3d s THR 271 CO 0.00 -0.01 0.83 0.00 -0.69 0.00 0.00 174.62 174.76 3i3d s ALA 272 N -0.72 -1.80 0.62 7.40 0.00 -0.76 -4.99 121.76 121.51 3i3d s ALA 272 Ca -0.00 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 3i3d s ALA 272 Cb -0.07 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.32 3i3d s ALA 272 CO 0.01 -0.59 0.92 -1.25 0.00 0.00 0.00 175.76 174.84 3i3d s PRO 273 N -2.62 2.63 0.60 0.00 0.04 -1.26 -0.80 135.00 133.59 3i3d s PRO 273 Ca 0.01 -0.19 -0.17 0.00 0.04 0.00 0.00 61.00 60.70 3i3d s PRO 273 Cb -0.01 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 3i3d s PRO 273 CO -0.05 -0.88 1.09 -0.06 0.04 0.00 0.00 177.00 177.14 3i3d s PHE 274 N -3.04 2.79 0.00 0.56 0.40 -1.26 -4.86 117.98 112.57 3i3d s PHE 274 Ca 0.56 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 58.43 3i3d s PHE 274 Cb -0.11 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.29 3i3d s PHE 274 CO 0.44 -1.40 0.00 0.41 0.70 0.00 0.00 175.22 175.37 3i3d n GLY 275 N -0.50 1.25 3.66 4.36 0.00 0.04 -4.98 105.19 109.02 3i3d n GLY 275 Ca 0.10 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 1.61 0.74 -0.02 0.00 0.12 -4.87 107.32 104.89 3i3d s GLY 276 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 43.69 3i3d s GLY 276 CO 0.00 -0.08 1.14 -1.83 0.00 0.00 0.00 173.10 172.33 3i3d s GLU 277 N -5.42 2.22 0.12 2.90 -1.05 -1.26 -4.51 118.70 111.70 3i3d s GLU 277 Ca 0.70 1.47 -0.31 0.00 -0.15 0.00 0.00 54.97 56.68 3i3d s GLU 277 Cb -0.10 -1.87 -0.09 0.00 -0.44 0.00 0.00 34.13 31.63 3i3d s GLU 277 CO 0.56 -1.71 1.49 0.42 0.95 0.00 0.00 175.26 176.96 3i3d s ILE 278 N -2.41 3.06 -0.08 1.83 1.01 -1.26 -4.25 121.20 119.11 3i3d s ILE 278 Ca 0.68 0.72 0.10 0.00 0.00 0.00 0.00 60.65 62.14 3i3d s ILE 278 Cb -0.23 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 38.65 3i3d s ILE 278 CO 0.48 0.04 0.09 2.30 0.00 0.00 0.00 174.94 177.86 3i3d n ILE 279 N 4.11 0.51 -3.35 2.92 -5.35 0.18 -4.90 119.36 113.48 3i3d n ILE 279 Ca 0.13 -0.38 -0.00 0.00 -0.27 0.00 0.00 62.75 62.22 3i3d n ILE 279 Cb 0.41 -0.46 -0.00 0.00 -1.74 0.00 0.00 39.64 37.85 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 -2.24 -0.03 0.31 7.28 5.68 -0.89 -5.03 116.55 121.64 3i3d n ASP 280 Ca -0.13 -1.03 0.20 0.00 -0.50 0.00 0.00 54.79 53.33 3i3d n ASP 280 Cb 0.68 0.05 1.04 0.00 -1.14 0.00 0.00 41.12 41.76 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 -0.38 0.11 3.07 -2.05 -1.49 114.58 113.85 3i3d h GLU 281 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i3d h GLU 281 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3i3d h GLU 281 CO 0.01 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.16 3i3d n ARG 282 N -3.23 2.37 0.00 2.33 5.12 -1.26 -5.07 116.66 116.92 3i3d n ARG 282 Ca -0.02 -2.08 0.00 0.00 -1.93 0.00 0.00 57.85 53.82 3i3d n ARG 282 Cb 0.18 -1.49 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 1.44 0.34 0.00 -0.13 0.00 -0.56 -5.06 105.19 101.22 3i3d n GLY 283 Ca 0.19 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3i3d n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3d n GLY 284 N 0.00 4.77 3.54 -0.02 0.00 -1.26 -0.65 105.19 111.58 3i3d n GLY 284 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.29 3.12 -0.25 1.61 1.51 -1.26 -4.90 117.35 115.88 3i3d s TYR 285 Ca 0.00 0.13 0.25 0.00 -1.01 0.00 0.00 57.07 56.45 3i3d s TYR 285 Cb 0.00 -3.17 0.62 0.00 -0.11 0.00 0.00 41.96 39.30 3i3d s TYR 285 CO 0.00 -0.71 1.71 0.00 -1.11 0.00 0.00 175.55 175.44 3i3d h ALA 286 N 8.63 0.98 -0.50 3.71 0.00 -1.93 0.33 119.26 130.48 3i3d h ALA 286 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i3d h ALA 286 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i3d h ALA 286 CO 0.84 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.75 3i3d n ASP 287 N -3.12 4.98 -4.13 0.00 5.75 -1.26 -3.33 116.55 115.44 3i3d n ASP 287 Ca 0.03 -2.75 -0.09 0.00 -0.01 0.00 0.00 54.79 51.97 3i3d n ASP 287 Cb 0.48 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.82 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 -2.43 0.75 -0.13 0.11 0.52 -1.18 -1.49 118.95 115.09 3i3d s ARG 288 Ca 0.47 -1.30 -0.24 0.00 -0.52 0.00 0.00 55.73 54.14 3i3d s ARG 288 Cb 0.35 0.03 0.06 0.00 0.52 0.00 0.00 34.95 35.90 3i3d s ARG 288 CO 0.15 -0.09 0.59 0.54 0.02 0.00 0.00 175.30 176.51 3i3d s VAL 289 N -3.80 0.01 -0.12 3.52 0.11 -0.75 -0.78 120.40 118.59 3i3d s VAL 289 Ca 0.11 -0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 3i3d s VAL 289 Cb 0.07 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 3i3d s VAL 289 CO -0.06 -0.04 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.59 3i3d s THR 290 N -0.47 1.77 -0.01 5.04 2.01 -1.26 -0.60 115.64 122.12 3i3d s THR 290 Ca -0.06 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 3i3d s THR 290 Cb -0.03 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3i3d s THR 290 CO 0.05 0.49 0.09 -0.76 -0.69 0.00 0.00 174.62 173.80 3i3d s LEU 291 N 0.84 3.96 -0.11 4.42 2.01 0.53 -4.93 118.68 125.40 3i3d s LEU 291 Ca -0.08 0.18 0.00 0.00 0.01 0.00 0.00 54.13 54.24 3i3d s LEU 291 Cb -0.15 -2.29 0.02 0.00 0.01 0.00 0.00 46.19 43.77 3i3d s LEU 291 CO -0.00 0.28 -0.11 -0.13 1.01 0.00 0.00 176.35 177.40 3i3d s ARG 292 N -1.71 1.79 -0.09 1.70 0.52 -1.26 -0.62 118.95 119.28 3i3d s ARG 292 Ca 0.23 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 3i3d s ARG 292 Cb -0.12 -1.70 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 3i3d s ARG 292 CO 0.14 -0.19 -0.19 -0.51 0.02 0.00 0.00 175.30 174.57 3i3d s LEU 293 N 1.41 2.42 -0.04 2.53 1.43 0.63 -4.85 118.68 122.21 3i3d s LEU 293 Ca 0.00 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 3i3d s LEU 293 Cb -0.13 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3i3d s LEU 293 CO -0.06 0.22 0.54 0.20 0.23 0.00 0.00 176.35 177.48 3i3d s ASN 294 N -0.03 6.87 -0.18 2.29 0.01 -1.26 -0.42 114.94 122.22 3i3d s ASN 294 Ca -0.06 1.03 -0.01 0.00 -0.71 0.00 0.00 52.86 53.12 3i3d s ASN 294 Cb -0.15 -2.33 0.05 0.00 0.41 0.00 0.00 41.25 39.23 3i3d s ASN 294 CO 0.05 0.10 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.01 3i3d s VAL 295 N -0.08 1.08 0.11 1.60 1.01 0.04 -4.84 120.40 119.32 3i3d s VAL 295 Ca 0.29 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 3i3d s VAL 295 Cb -0.17 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 3i3d s VAL 295 CO 0.15 0.06 0.71 -1.61 0.00 0.00 0.00 175.10 174.40 3i3d s GLU 296 N 1.63 4.44 -1.32 2.72 0.41 -1.26 -1.01 118.70 124.31 3i3d s GLU 296 Ca -0.00 1.00 -0.13 0.00 -0.41 0.00 0.00 54.97 55.42 3i3d s GLU 296 Cb -0.16 -3.28 0.01 0.00 -1.78 0.00 0.00 34.13 28.92 3i3d s GLU 296 CO -0.07 0.53 0.50 0.09 -0.49 0.00 0.00 175.26 175.82 3i3d n ASN 297 N 1.92 -2.24 -4.75 -0.19 5.03 0.22 -4.87 115.26 110.38 3i3d n ASN 297 Ca -0.06 -1.12 -0.38 0.00 0.87 0.00 0.00 54.58 53.88 3i3d n ASN 297 Cb 0.50 -2.59 0.04 0.00 -1.02 0.00 0.00 39.78 36.70 3i3d n ASN 297 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3i3d s PRO 298 N -6.74 3.19 -0.27 3.52 0.04 -1.26 -4.94 135.00 128.54 3i3d s PRO 298 Ca 0.23 2.25 -0.26 0.00 0.04 0.00 0.00 61.00 63.26 3i3d s PRO 298 Cb -0.10 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3i3d s PRO 298 CO 0.92 -1.16 0.93 0.15 0.04 0.00 0.00 177.00 177.88 3i3d s LYS 299 N -2.87 4.14 0.27 4.56 1.02 -1.26 -5.00 119.74 120.59 3i3d s LYS 299 Ca 0.71 1.01 -0.29 0.00 0.02 0.00 0.00 55.97 57.42 3i3d s LYS 299 Cb -0.41 -3.68 -0.09 0.00 -0.52 0.00 0.00 37.83 33.13 3i3d s LYS 299 CO 0.48 -0.66 0.98 -0.51 -0.92 0.00 0.00 175.35 174.72 3i3d s LEU 300 N 3.13 4.56 0.03 3.17 1.43 -1.26 -4.38 118.68 125.36 3i3d s LEU 300 Ca 0.39 2.00 -0.17 0.00 -1.03 0.00 0.00 54.13 55.32 3i3d s LEU 300 Cb -0.14 -3.70 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 3i3d s LEU 300 CO 0.10 0.04 0.49 0.86 0.23 0.00 0.00 176.35 178.06 3i3d s TRP 301 N -1.26 3.76 0.21 0.29 -0.00 -0.17 -3.98 118.94 117.79 3i3d s TRP 301 Ca 0.44 1.12 -0.23 0.00 -0.00 0.00 0.00 56.10 57.43 3i3d s TRP 301 Cb -0.26 -2.40 0.04 0.00 -0.00 0.00 0.00 33.47 30.85 3i3d s TRP 301 CO 0.32 0.60 0.80 -1.54 -0.00 0.00 0.00 176.95 177.13 3i3d s SER 302 N -1.01 -0.26 0.53 5.86 1.04 -0.69 -4.64 113.70 114.53 3i3d s SER 302 Ca 0.26 -0.47 0.31 0.00 0.48 0.00 0.00 55.95 56.54 3i3d s SER 302 Cb -0.18 0.62 1.26 0.00 0.10 0.00 0.00 66.02 67.82 3i3d s SER 302 CO 0.16 -1.13 1.95 0.00 0.98 0.00 0.00 173.24 175.19 3i3d h ALA 303 N 2.00 1.01 0.03 5.32 0.00 -1.91 -1.88 119.26 123.83 3i3d h ALA 303 Ca -0.22 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3i3d h ALA 303 Cb 1.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3i3d h ALA 303 CO 0.25 0.06 -0.62 0.93 0.00 0.00 0.00 179.25 179.87 3i3d h GLU 304 N 0.00 0.37 -2.84 0.00 5.08 -1.93 -3.42 114.58 111.83 3i3d h GLU 304 Ca -0.00 -0.44 -0.57 0.00 -1.00 0.00 0.00 59.36 57.36 3i3d h GLU 304 Cb 0.57 0.13 -0.40 0.00 0.50 0.00 0.00 28.75 29.55 3i3d h GLU 304 CO 0.01 1.12 -0.80 0.42 -1.00 0.00 0.00 179.01 178.76 3i3d s ILE 305 N -3.03 0.31 -0.46 3.13 1.01 -1.09 -4.98 121.20 116.08 3i3d s ILE 305 Ca -0.13 -1.41 -0.05 0.00 0.00 0.00 0.00 60.65 59.05 3i3d s ILE 305 Cb 0.03 -1.24 -0.12 0.00 0.01 0.00 0.00 42.46 41.13 3i3d s ILE 305 CO 0.82 -0.84 2.41 -0.81 0.00 0.00 0.00 174.94 176.52 3i3d n PRO 306 N 4.54 1.78 -1.68 2.79 -0.04 -0.73 -1.70 135.00 139.96 3i3d n PRO 306 Ca 0.03 -1.06 -0.45 0.00 -0.04 0.00 0.00 63.50 61.97 3i3d n PRO 306 Cb 0.39 -2.13 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 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 3.30 3.31 -4.11 3.54 3.02 -1.26 -4.87 115.26 118.20 3i3d n ASN 307 Ca 0.38 1.07 -0.18 0.00 -0.03 0.00 0.00 54.58 55.82 3i3d n ASN 307 Cb 0.40 -1.46 -0.13 0.00 -0.61 0.00 0.00 39.78 37.98 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 1.18 2.19 0.31 3.41 1.43 -1.26 -4.16 118.68 121.78 3i3d s LEU 308 Ca 0.79 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 53.53 3i3d s LEU 308 Cb -0.64 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 3i3d s LEU 308 CO 0.37 -0.03 -0.08 -0.31 0.23 0.00 0.00 176.35 176.53 3i3d s TYR 309 N -0.96 2.46 -0.18 0.29 1.51 0.14 -4.84 117.35 115.78 3i3d s TYR 309 Ca -0.02 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 3i3d s TYR 309 Cb -0.08 -1.25 -0.00 0.00 -0.11 0.00 0.00 41.96 40.51 3i3d s TYR 309 CO 0.01 0.60 -0.11 0.50 -1.11 0.00 0.00 175.55 175.45 3i3d s ARG 310 N -3.62 3.29 -0.21 -0.62 6.06 -0.30 0.77 118.95 124.32 3i3d s ARG 310 Ca 0.32 -0.69 -0.07 0.00 -2.50 0.00 0.00 55.73 52.79 3i3d s ARG 310 Cb -0.02 -2.79 -0.04 0.00 0.06 0.00 0.00 34.95 32.16 3i3d s ARG 310 CO 0.18 -0.07 0.06 0.00 -2.50 0.00 0.00 175.30 172.97 3i3d s ALA 311 N 1.07 3.28 -0.20 6.12 0.00 -0.70 0.14 121.76 131.47 3i3d s ALA 311 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 3i3d s ALA 311 Cb -0.15 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 3i3d s ALA 311 CO -0.02 -0.12 -0.06 0.08 0.00 0.00 0.00 175.76 175.63 3i3d s VAL 312 N 0.94 3.31 -0.35 0.00 1.01 0.40 -2.31 120.40 123.40 3i3d s VAL 312 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 3i3d s VAL 312 Cb -0.14 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3i3d s VAL 312 CO 0.03 0.45 0.18 -0.69 0.00 0.00 0.00 175.10 175.07 3i3d s VAL 313 N 1.18 4.55 -0.21 2.92 1.01 0.04 -1.45 120.40 128.44 3i3d s VAL 313 Ca 0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3i3d s VAL 313 Cb -0.14 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3i3d s VAL 313 CO -0.02 -0.11 0.00 -1.61 0.00 0.00 0.00 175.10 173.36 3i3d s GLU 314 N 1.57 3.56 -0.36 2.72 2.02 0.17 -1.19 118.70 127.19 3i3d s GLU 314 Ca 0.03 -0.54 -0.18 0.00 0.02 0.00 0.00 54.97 54.30 3i3d s GLU 314 Cb -0.18 -3.11 -0.00 0.00 0.10 0.00 0.00 34.13 30.94 3i3d s GLU 314 CO 0.06 -0.08 0.48 -1.17 0.02 0.00 0.00 175.26 174.57 3i3d s LEU 315 N 1.24 4.43 0.00 1.80 2.96 0.68 -1.24 118.68 128.55 3i3d s LEU 315 Ca 0.03 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3i3d s LEU 315 Cb -0.15 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.03 3i3d s LEU 315 CO 0.01 -0.48 0.00 0.00 -1.32 0.00 0.00 176.35 174.56 3i3d n HIS 316 N 5.68 -0.05 -4.31 5.38 1.44 -0.20 -0.90 115.22 122.25 3i3d n HIS 316 Ca -0.06 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.41 3i3d n HIS 316 Cb 0.49 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.52 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 -1.59 2.77 0.38 0.61 -4.23 -0.37 -0.21 115.64 113.00 3i3d s THR 317 Ca 0.00 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 3i3d s THR 317 Cb 0.00 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.26 3i3d s THR 317 CO 0.00 -0.23 1.98 0.00 -0.54 0.00 0.00 174.62 175.82 3i3d h ALA 318 N 1.82 1.56 -0.06 3.99 0.00 -1.00 -1.85 119.26 123.73 3i3d h ALA 318 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3i3d h ALA 318 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i3d h ALA 318 CO 0.65 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.84 3i3d n ASP 319 N -4.38 0.57 -0.31 0.00 5.75 -1.26 -4.92 116.55 112.01 3i3d n ASP 319 Ca 0.02 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 3i3d n ASP 319 Cb 0.15 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3i3d n ASP 319 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i3d n GLY 320 N 0.90 0.76 3.19 6.12 0.00 -0.69 -5.09 105.19 110.38 3i3d n GLY 320 Ca 0.15 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.18 2.39 0.08 2.61 2.01 -1.25 -4.92 115.64 114.37 3i3d s THR 321 Ca 0.00 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 3i3d s THR 321 Cb 0.00 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 3i3d s THR 321 CO 0.00 0.52 1.04 -0.22 -0.69 0.00 0.00 174.62 175.27 3i3d s LEU 322 N 1.14 4.43 -0.23 4.42 2.96 -1.26 -1.24 118.68 128.90 3i3d s LEU 322 Ca 0.01 1.85 -0.06 0.00 -0.22 0.00 0.00 54.13 55.71 3i3d s LEU 322 Cb -0.14 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 3i3d s LEU 322 CO -0.07 -0.23 -0.26 -0.38 -1.32 0.00 0.00 176.35 174.09 3i3d n ILE 323 N 3.27 1.29 -3.54 6.68 5.41 -0.08 -4.98 119.36 127.40 3i3d n ILE 323 Ca 0.05 -0.39 -0.12 0.00 1.00 0.00 0.00 62.75 63.28 3i3d n ILE 323 Cb 0.49 -1.60 -0.05 0.00 -0.71 0.00 0.00 39.64 37.77 3i3d n ILE 323 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3i3d s GLU 324 N -2.44 0.78 -0.01 0.38 2.12 -0.91 -4.89 118.70 113.73 3i3d s GLU 324 Ca -0.32 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.11 3i3d s GLU 324 Cb 0.11 0.37 -0.00 0.00 0.26 0.00 0.00 34.13 34.86 3i3d s GLU 324 CO 0.46 -0.27 -0.04 0.00 -0.54 0.00 0.00 175.26 174.87 3i3d s ALA 325 N -1.54 0.37 0.36 6.30 0.00 -0.54 -0.23 121.76 126.48 3i3d s ALA 325 Ca -0.03 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.81 3i3d s ALA 325 Cb -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 3i3d s ALA 325 CO 0.02 0.07 0.06 -1.21 0.00 0.00 0.00 175.76 174.71 3i3d s GLU 326 N 0.01 1.77 0.17 0.00 0.41 -0.33 -1.66 118.70 119.06 3i3d s GLU 326 Ca 0.00 -2.01 -0.24 0.00 -0.41 0.00 0.00 54.97 52.31 3i3d s GLU 326 Cb -0.03 -0.93 0.07 0.00 -1.78 0.00 0.00 34.13 31.46 3i3d s GLU 326 CO -0.00 -0.24 0.97 0.00 -0.49 0.00 0.00 175.26 175.50 3i3d s ALA 327 N -3.20 -1.62 0.13 5.21 0.00 -1.26 -0.78 121.76 120.23 3i3d s ALA 327 Ca 0.32 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.05 3i3d s ALA 327 Cb 0.07 0.66 0.07 0.00 0.00 0.00 0.00 23.12 23.92 3i3d s ALA 327 CO 0.15 -1.05 0.76 0.00 0.00 0.00 0.00 175.76 175.62 3i3d s ASP 329 N -2.72 7.20 -0.07 0.00 1.01 -1.26 -1.72 116.67 119.10 3i3d s ASP 329 Ca 0.05 1.47 0.05 0.00 0.71 0.00 0.00 52.55 54.83 3i3d s ASP 329 Cb -0.02 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 3i3d s ASP 329 CO -0.07 0.17 -0.23 -0.69 0.21 0.00 0.00 175.17 174.56 3i3d s VAL 330 N -1.26 1.96 -0.21 -1.27 1.01 0.23 -4.71 120.40 116.15 3i3d s VAL 330 Ca 0.36 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3i3d s VAL 330 Cb -0.20 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.54 3i3d s VAL 330 CO 0.23 0.54 -0.16 -0.83 0.00 0.00 0.00 175.10 174.88 3i3d s GLY 331 N 0.06 1.48 -0.54 4.51 0.00 -1.26 0.28 107.32 111.85 3i3d s GLY 331 Ca -0.09 -1.42 -0.28 0.00 0.00 0.00 0.00 44.72 42.93 3i3d s GLY 331 CO 0.05 0.43 1.50 -1.36 0.00 0.00 0.00 173.10 173.72 3i3d s PHE 332 N 1.23 2.17 -0.13 1.90 0.40 -1.26 -4.79 117.98 117.50 3i3d s PHE 332 Ca -0.01 0.52 -0.18 0.00 -0.60 0.00 0.00 56.93 56.67 3i3d s PHE 332 Cb -0.16 -4.33 0.04 0.00 0.51 0.00 0.00 43.02 39.08 3i3d s PHE 332 CO -0.10 -2.10 0.46 -0.98 0.70 0.00 0.00 175.22 173.20 3i3d s ARG 333 N 5.68 0.63 -0.13 0.44 1.70 -1.26 -1.00 118.95 125.01 3i3d s ARG 333 Ca 0.56 0.43 -0.01 0.00 -0.47 0.00 0.00 55.73 56.25 3i3d s ARG 333 Cb -0.12 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 3i3d s ARG 333 CO 0.25 -0.12 -0.11 -2.00 -1.08 0.00 0.00 175.30 172.24 3i3d s GLU 334 N -0.24 3.40 -0.16 3.89 2.12 -1.26 -4.90 118.70 121.55 3i3d s GLU 334 Ca -0.04 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 54.65 3i3d s GLU 334 Cb -0.03 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.69 3i3d s GLU 334 CO 0.02 0.24 -0.18 0.08 -0.54 0.00 0.00 175.26 174.89 3i3d s VAL 335 N 0.29 2.31 0.08 3.70 1.01 -1.26 -0.29 120.40 126.24 3i3d s VAL 335 Ca -0.08 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 3i3d s VAL 335 Cb -0.15 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.30 3i3d s VAL 335 CO 0.05 0.53 0.42 0.00 0.00 0.00 0.00 175.10 176.10 3i3d s ARG 336 N 1.01 1.00 -0.26 2.72 1.70 -0.72 -4.60 118.95 119.80 3i3d s ARG 336 Ca -0.02 -0.48 -0.06 0.00 -0.47 0.00 0.00 55.73 54.70 3i3d s ARG 336 Cb -0.15 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 3i3d s ARG 336 CO -0.05 -0.37 0.03 0.42 -1.08 0.00 0.00 175.30 174.26 3i3d s ILE 337 N -3.01 3.83 -0.05 4.99 1.01 -1.26 0.28 121.20 126.99 3i3d s ILE 337 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3i3d s ILE 337 Cb 0.00 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.64 3i3d s ILE 337 CO -0.06 0.26 -0.02 -0.70 0.00 0.00 0.00 174.94 174.42 3i3d s GLU 338 N 1.52 0.64 -1.51 2.79 2.12 0.03 -4.82 118.70 119.46 3i3d s GLU 338 Ca 0.04 -0.00 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 3i3d s GLU 338 Cb -0.16 -0.78 0.02 0.00 0.26 0.00 0.00 34.13 33.47 3i3d s GLU 338 CO 0.01 -0.15 0.64 -1.71 -0.54 0.00 0.00 175.26 173.50 3i3d n ASN 339 N 4.36 -5.83 0.00 -1.70 5.15 -1.26 -2.00 115.26 113.98 3i3d n ASN 339 Ca -0.21 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 3i3d n ASN 339 Cb 0.50 -4.71 0.00 0.00 -0.53 0.00 0.00 39.78 35.05 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 -1.52 0.82 3.40 8.20 0.00 -1.25 -5.04 105.19 109.79 3i3d n GLY 340 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 2.40 -0.30 0.99 1.43 -0.85 -2.73 118.68 119.63 3i3d s LEU 341 Ca 0.00 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.50 3i3d s LEU 341 Cb 0.00 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 3i3d s LEU 341 CO 0.00 0.31 0.77 -0.22 0.23 0.00 0.00 176.35 177.44 3i3d s LEU 342 N -0.85 4.09 -0.02 1.79 2.96 -1.26 -0.79 118.68 124.60 3i3d s LEU 342 Ca 0.11 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 3i3d s LEU 342 Cb -0.10 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.51 3i3d s LEU 342 CO 0.01 -0.58 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.59 3i3d s LEU 343 N 2.90 2.97 -0.20 -0.68 1.43 0.14 -2.37 118.68 122.87 3i3d s LEU 343 Ca 0.32 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3i3d s LEU 343 Cb -0.14 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3i3d s LEU 343 CO 0.12 0.32 -0.18 -0.22 0.23 0.00 0.00 176.35 176.62 3i3d s LEU 344 N -1.07 2.38 -1.52 1.79 2.96 0.46 -1.75 118.68 121.93 3i3d s LEU 344 Ca 0.14 -0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 53.17 3i3d s LEU 344 Cb -0.11 -1.51 0.08 0.00 0.50 0.00 0.00 46.19 45.16 3i3d s LEU 344 CO 0.04 -0.03 0.89 0.59 -1.32 0.00 0.00 176.35 176.52 3i3d n ASN 345 N 4.60 -3.90 0.00 3.68 3.02 0.60 -1.46 115.26 121.81 3i3d n ASN 345 Ca -0.20 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 3i3d n ASN 345 Cb 0.49 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 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 0.56 3.36 7.41 0.00 -1.26 -5.02 105.19 108.59 3i3d n GLY 346 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.27 1.97 -0.08 1.61 -0.14 -0.53 -5.02 119.74 117.28 3i3d s LYS 347 Ca 0.00 -1.02 -0.30 0.00 -1.36 0.00 0.00 55.97 53.30 3i3d s LYS 347 Cb 0.00 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.07 3i3d s LYS 347 CO 0.00 0.54 1.32 -1.25 -0.76 0.00 0.00 175.35 175.19 3i3d s PRO 348 N -1.05 4.28 0.59 -1.68 0.04 -1.26 -0.40 135.00 135.51 3i3d s PRO 348 Ca 0.12 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 3i3d s PRO 348 Cb -0.10 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 3i3d s PRO 348 CO 0.01 -0.61 1.03 -0.51 0.04 0.00 0.00 177.00 176.97 3i3d s LEU 349 N 2.87 3.43 -0.29 -3.56 1.43 -1.00 -4.94 118.68 116.61 3i3d s LEU 349 Ca 0.59 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 55.33 3i3d s LEU 349 Cb -0.26 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.54 3i3d s LEU 349 CO 0.21 -1.00 0.08 -0.22 0.23 0.00 0.00 176.35 175.66 3i3d s LEU 350 N -4.65 2.18 -0.39 1.79 2.96 -1.26 -4.74 118.68 114.57 3i3d s LEU 350 Ca 0.60 -1.53 -0.29 0.00 -0.22 0.00 0.00 54.13 52.69 3i3d s LEU 350 Cb -0.13 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.70 3i3d s LEU 350 CO 0.41 -0.39 1.39 -0.63 -1.32 0.00 0.00 176.35 175.81 3i3d s ILE 351 N 1.62 3.95 -0.99 6.68 -1.09 0.47 -4.93 121.20 126.91 3i3d s ILE 351 Ca 0.08 0.99 -0.03 0.00 -2.23 0.00 0.00 60.65 59.46 3i3d s ILE 351 Cb -0.17 -4.19 0.28 0.00 -1.58 0.00 0.00 42.46 36.80 3i3d s ILE 351 CO -0.22 -0.69 1.22 0.54 -1.23 0.00 0.00 174.94 174.56 3i3d n ARG 352 N 7.91 3.79 -3.73 2.79 1.74 -1.26 -2.26 116.66 125.64 3i3d n ARG 352 Ca 0.16 -4.55 -0.25 0.00 -0.77 0.00 0.00 57.85 52.44 3i3d n ARG 352 Cb 0.48 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 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 -1.24 2.25 -0.07 -0.13 0.00 -0.71 -0.53 107.32 106.89 3i3d s GLY 353 Ca 0.32 -1.47 -0.21 0.00 0.00 0.00 0.00 44.72 43.36 3i3d s GLY 353 CO 0.03 -1.88 0.49 0.54 0.00 0.00 0.00 173.10 172.28 3i3d s VAL 354 N -2.73 0.02 -0.01 1.40 0.11 -1.01 -1.24 120.40 116.95 3i3d s VAL 354 Ca 0.40 -0.19 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 3i3d s VAL 354 Cb -0.03 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 3i3d s VAL 354 CO 0.25 -0.10 0.73 0.20 -3.33 0.00 0.00 175.10 172.84 3i3d s ASN 355 N -0.84 7.10 -0.13 3.54 0.01 0.17 -1.69 114.94 123.10 3i3d s ASN 355 Ca -0.09 1.32 -0.00 0.00 -0.71 0.00 0.00 52.86 53.37 3i3d s ASN 355 Cb -0.03 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.22 3i3d s ASN 355 CO 0.05 -0.03 -0.07 -0.60 -1.51 0.00 0.00 177.10 174.94 3i3d s ARG 356 N 0.28 1.47 0.52 -0.60 3.52 -0.90 -0.39 118.95 122.86 3i3d s ARG 356 Ca 0.38 -0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 3i3d s ARG 356 Cb -0.19 -1.72 -0.02 0.00 -1.56 0.00 0.00 34.95 31.46 3i3d s ARG 356 CO 0.21 -0.33 0.84 -1.01 -0.81 0.00 0.00 175.30 174.20 3i3d s HIS 357 N 1.69 3.47 -0.69 5.12 3.76 -1.26 -3.91 115.29 123.47 3i3d s HIS 357 Ca 0.04 0.79 -0.19 0.00 -0.15 0.00 0.00 55.06 55.54 3i3d s HIS 357 Cb -0.13 -2.47 0.11 0.00 1.11 0.00 0.00 32.58 31.20 3i3d s HIS 357 CO -0.08 -0.48 0.85 -1.21 -0.85 0.00 0.00 174.74 172.97 3i3d s GLU 358 N -4.85 3.20 -0.01 1.40 2.02 -1.26 -4.94 118.70 114.26 3i3d s GLU 358 Ca 0.50 -1.37 0.01 0.00 0.02 0.00 0.00 54.97 54.13 3i3d s GLU 358 Cb -0.10 -4.39 0.01 0.00 0.10 0.00 0.00 34.13 29.75 3i3d s GLU 358 CO 0.46 -1.63 -0.01 -1.58 0.02 0.00 0.00 175.26 172.51 3i3d s HIS 359 N 2.84 0.20 -0.04 1.61 2.46 -1.26 -4.50 115.29 116.60 3i3d s HIS 359 Ca 0.18 -0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.71 3i3d s HIS 359 Cb -0.18 -0.21 0.02 0.00 -0.13 0.00 0.00 32.58 32.09 3i3d s HIS 359 CO 0.03 -0.05 -0.02 -1.58 -2.47 0.00 0.00 174.74 170.65 3i3d s HIS 360 N 0.36 0.59 0.57 3.88 5.04 0.16 -5.01 115.29 120.89 3i3d s HIS 360 Ca -0.03 -0.13 0.26 0.00 -1.54 0.00 0.00 55.06 53.62 3i3d s HIS 360 Cb -0.06 -0.60 1.60 0.00 0.04 0.00 0.00 32.58 33.56 3i3d s HIS 360 CO -0.01 -0.19 2.14 -1.00 -2.34 0.00 0.00 174.74 173.34 3i3d h PRO 361 N 7.41 0.00 0.00 2.88 0.13 -1.79 0.47 132.00 141.10 3i3d h PRO 361 Ca -0.36 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.42 3i3d h PRO 361 Cb 1.14 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 3i3d h PRO 361 CO 0.43 0.00 -2.24 -0.11 -0.23 0.00 0.00 178.00 175.86 3i3d n LEU 362 N -4.02 2.24 -0.80 1.56 7.94 -1.26 -2.13 117.00 120.53 3i3d n LEU 362 Ca 0.00 0.09 0.10 0.00 -1.11 0.00 0.00 56.01 55.10 3i3d n LEU 362 Cb 0.24 -0.70 0.29 0.00 0.53 0.00 0.00 43.42 43.78 3i3d n LEU 362 CO 0.30 0.65 0.73 1.41 -1.11 0.00 0.00 177.39 179.37 3i3d n HIS 363 N -3.60 0.38 0.00 1.96 8.25 -1.23 -4.95 115.22 116.04 3i3d n HIS 363 Ca -0.41 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 56.86 3i3d n HIS 363 Cb 0.85 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.96 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 1.27 1.51 0.83 -1.41 0.00 0.16 -2.71 105.19 104.83 3i3d n GLY 364 Ca 0.17 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.34 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 0.22 2.47 -3.29 1.61 6.02 -1.26 0.41 117.38 123.55 3i3d n GLN 365 Ca 0.00 -2.87 -0.38 0.00 -0.01 0.00 0.00 57.00 53.73 3i3d n GLN 365 Cb 0.00 -1.79 -0.06 0.00 1.02 0.00 0.00 30.24 29.41 3i3d n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3i3d s VAL 366 N -2.92 5.16 0.00 5.09 1.01 -1.10 -4.90 120.40 122.74 3i3d s VAL 366 Ca 0.41 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 3i3d s VAL 366 Cb 0.35 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3i3d s VAL 366 CO 0.06 0.27 0.17 -0.04 0.00 0.00 0.00 175.10 175.56 3i3d s MET 367 N 1.04 3.37 0.18 2.72 -1.94 -1.26 -4.74 119.30 118.67 3i3d s MET 367 Ca 0.25 -0.37 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 3i3d s MET 367 Cb -0.15 -3.05 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 3i3d s MET 367 CO 0.10 0.66 -0.08 0.16 -0.01 0.00 0.00 175.02 175.85 3i3d s ASP 368 N -1.98 1.97 0.11 3.03 -4.77 -1.26 -5.01 116.67 108.76 3i3d s ASP 368 Ca 0.27 -1.08 -0.19 0.00 -3.30 0.00 0.00 52.55 48.26 3i3d s ASP 368 Cb -0.13 -0.03 -0.07 0.00 -1.09 0.00 0.00 42.92 41.60 3i3d s ASP 368 CO 0.19 -0.35 1.70 -0.08 0.70 0.00 0.00 175.17 177.33 3i3d h GLU 369 N 2.64 0.32 -0.10 2.11 4.81 -1.99 -2.64 114.58 119.72 3i3d h GLU 369 Ca -0.37 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.75 3i3d h GLU 369 Cb 1.21 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3i3d h GLU 369 CO 0.64 0.31 -0.21 -0.56 -0.73 0.00 0.00 179.01 178.45 3i3d h GLN 370 N 0.25 0.17 -0.31 1.92 3.07 -1.99 -0.74 115.11 117.48 3i3d h GLN 370 Ca 0.08 -0.05 -0.15 0.00 0.09 0.00 0.00 58.65 58.62 3i3d h GLN 370 Cb 0.09 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.62 3i3d h GLN 370 CO -0.01 0.39 -0.39 1.15 0.09 0.00 0.00 178.83 180.06 3i3d h THR 371 N 0.16 1.29 -0.47 1.86 2.02 -1.97 -0.40 112.91 115.40 3i3d h THR 371 Ca 0.03 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.61 3i3d h THR 371 Cb 0.48 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 3i3d h THR 371 CO 0.03 0.51 0.16 0.24 0.37 0.00 0.00 175.52 176.84 3i3d h MET 372 N 0.59 0.72 -0.46 6.66 2.86 -1.09 -0.96 114.93 123.25 3i3d h MET 372 Ca 0.04 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3i3d h MET 372 Cb 0.98 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3i3d h MET 372 CO 0.09 0.67 0.11 0.28 1.06 0.00 0.00 176.91 179.12 3i3d h VAL 373 N 0.62 1.24 -0.55 -2.22 2.07 -1.09 -1.05 116.25 115.27 3i3d h VAL 373 Ca 0.15 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.89 3i3d h VAL 373 Cb 0.24 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3i3d h VAL 373 CO -0.01 0.30 0.27 -0.61 0.02 0.00 0.00 177.57 177.54 3i3d h GLN 374 N 0.62 0.50 -0.39 1.57 4.15 -0.87 0.80 115.11 121.49 3i3d h GLN 374 Ca 0.14 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 3i3d h GLN 374 Cb 0.33 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3i3d h GLN 374 CO 0.00 0.33 0.21 -0.44 -1.93 0.00 0.00 178.83 177.00 3i3d h ASP 375 N 0.51 0.49 -0.60 -0.69 3.32 -0.79 -1.79 116.42 116.87 3i3d h ASP 375 Ca 0.25 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3i3d h ASP 375 Cb 0.18 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3i3d h ASP 375 CO -0.18 0.44 0.16 0.40 -1.72 0.00 0.00 179.24 178.33 3i3d h ILE 376 N 0.50 1.25 -0.58 0.35 2.04 -0.65 -0.14 117.51 120.27 3i3d h ILE 376 Ca 0.14 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3i3d h ILE 376 Cb 0.06 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3i3d h ILE 376 CO -0.02 0.33 0.29 -0.07 0.00 0.00 0.00 178.15 178.68 3i3d h LEU 377 N 0.87 0.75 -0.79 1.44 3.38 -0.70 -1.37 115.31 118.89 3i3d h LEU 377 Ca 0.19 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3i3d h LEU 377 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3i3d h LEU 377 CO -0.00 0.66 -0.15 -0.07 0.09 0.00 0.00 178.44 178.97 3i3d h LEU 378 N 0.79 0.75 0.11 1.67 3.38 -1.11 0.13 115.31 121.03 3i3d h LEU 378 Ca 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i3d h LEU 378 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i3d h LEU 378 CO -0.03 0.91 -0.05 0.24 0.09 0.00 0.00 178.44 179.60 3i3d h MET 379 N 0.68 -0.14 -0.18 1.13 2.86 -0.71 -2.20 114.93 116.35 3i3d h MET 379 Ca 0.11 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3i3d h MET 379 Cb 0.63 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3i3d h MET 379 CO 0.04 0.12 -0.21 0.87 1.06 0.00 0.00 176.91 178.79 3i3d h LYS 380 N -0.40 0.32 0.00 1.72 1.57 -1.22 -0.88 116.57 117.68 3i3d h LYS 380 Ca -0.02 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3i3d h LYS 380 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3i3d h LYS 380 CO 0.03 0.53 0.00 1.96 -0.57 0.00 0.00 179.45 181.39 3i3d h GLN 381 N 0.29 0.00 -0.35 3.15 4.20 -0.87 -2.58 115.11 118.94 3i3d h GLN 381 Ca 0.05 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.57 3i3d h GLN 381 Cb 0.55 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.21 3i3d h GLN 381 CO 0.04 0.00 -0.11 0.09 -0.67 0.00 0.00 178.83 178.18 3i3d n ASN 382 N -2.77 2.49 -2.86 1.46 3.02 -0.58 -4.97 115.26 111.05 3i3d n ASN 382 Ca 0.01 -3.81 -0.21 0.00 -0.03 0.00 0.00 54.58 50.54 3i3d n ASN 382 Cb 0.25 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.12 -5.59 -4.87 6.41 3.02 -0.97 -3.93 115.26 108.21 3i3d n ASN 383 Ca 0.33 -0.19 -0.35 0.00 -0.03 0.00 0.00 54.58 54.34 3i3d n ASN 383 Cb 1.03 -4.57 -0.06 0.00 -0.61 0.00 0.00 39.78 35.57 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 -3.07 3.61 0.00 3.10 0.40 -0.44 -4.83 117.98 116.76 3i3d s PHE 384 Ca 0.22 0.77 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 3i3d s PHE 384 Cb -0.10 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.30 3i3d s PHE 384 CO 0.27 0.58 0.48 0.27 0.70 0.00 0.00 175.22 177.51 3i3d n ASN 385 N 1.20 0.80 -3.81 1.36 0.23 0.31 -4.19 115.26 111.16 3i3d n ASN 385 Ca -0.11 -1.21 -0.11 0.00 -0.53 0.00 0.00 54.58 52.62 3i3d n ASN 385 Cb 0.53 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 3i3d n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i3d s ALA 386 N -0.21 -0.51 -0.01 -2.53 0.00 -1.16 -0.72 121.76 116.63 3i3d s ALA 386 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 3i3d s ALA 386 Cb 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 3i3d s ALA 386 CO 0.00 -0.35 0.02 0.54 0.00 0.00 0.00 175.76 175.97 3i3d s VAL 387 N -2.33 0.02 -0.19 0.00 0.11 0.33 -2.40 120.40 115.94 3i3d s VAL 387 Ca -0.07 -0.15 -0.04 0.00 -2.93 0.00 0.00 61.98 58.79 3i3d s VAL 387 Cb -0.02 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 3i3d s VAL 387 CO -0.02 -0.08 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.03 3i3d s ARG 388 N -0.23 3.53 -1.12 1.54 3.52 -0.68 -1.89 118.95 123.61 3i3d s ARG 388 Ca -0.03 -0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 54.82 3i3d s ARG 388 Cb -0.02 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.33 3i3d s ARG 388 CO -0.00 0.01 2.03 0.00 -0.81 0.00 0.00 175.30 176.53 3i3d s SER 390 N 4.35 6.88 -0.41 0.00 1.04 -1.25 -1.28 113.70 123.03 3i3d s SER 390 Ca 0.54 1.25 0.09 0.00 0.48 0.00 0.00 55.95 58.31 3i3d s SER 390 Cb 0.12 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 64.00 3i3d s SER 390 CO 0.04 -0.89 0.65 1.41 0.98 0.00 0.00 173.24 175.42 3i3d n HIS 391 N 6.98 0.36 -3.61 5.02 -0.00 -1.26 -4.22 115.22 118.49 3i3d n HIS 391 Ca 0.13 -3.73 -0.04 0.00 -0.00 0.00 0.00 57.72 54.08 3i3d n HIS 391 Cb 0.46 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.99 30.03 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 -1.94 -0.09 0.44 4.41 -0.85 -0.41 -4.27 117.35 114.64 3i3d s TYR 392 Ca 0.38 0.05 -0.26 0.00 -0.52 0.00 0.00 57.07 56.73 3i3d s TYR 392 Cb 0.25 0.51 -0.09 0.00 0.38 0.00 0.00 41.96 43.02 3i3d s TYR 392 CO -0.09 -0.15 1.44 -2.14 -1.52 0.00 0.00 175.55 173.08 3i3d s PRO 393 N -2.31 3.76 0.65 -3.49 0.02 -0.91 -4.58 135.00 128.15 3i3d s PRO 393 Ca 0.10 2.45 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 3i3d s PRO 393 Cb -0.01 -2.72 0.08 0.00 0.02 0.00 0.00 34.50 31.88 3i3d s PRO 393 CO -0.04 -0.77 0.91 -0.80 -0.33 0.00 0.00 177.00 175.97 3i3d s ASN 394 N -0.43 4.78 0.24 2.53 -0.87 -1.26 -4.84 114.94 115.08 3i3d s ASN 394 Ca 0.59 -0.13 -0.31 0.00 -1.57 0.00 0.00 52.86 51.44 3i3d s ASN 394 Cb -0.44 -0.49 -0.13 0.00 -0.02 0.00 0.00 41.25 40.17 3i3d s ASN 394 CO 0.58 -1.54 1.44 1.57 -2.57 0.00 0.00 177.10 176.58 3i3d n HIS 395 N -2.64 2.25 -0.28 2.20 -0.00 -1.26 -4.85 115.22 110.64 3i3d n HIS 395 Ca 0.11 0.40 0.26 0.00 -0.00 0.00 0.00 57.72 58.49 3i3d n HIS 395 Cb 0.60 -2.48 0.60 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 4.37 0.23 0.00 1.57 0.13 -1.96 -0.87 132.00 135.46 3i3d h PRO 396 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3i3d h PRO 396 Cb 1.27 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i3d h PRO 396 CO 0.77 0.15 -0.15 1.25 -0.23 0.00 0.00 178.00 179.79 3i3d h LEU 397 N 0.24 0.00 -0.70 1.56 5.85 -2.01 -2.98 115.31 117.28 3i3d h LEU 397 Ca 0.53 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.29 3i3d h LEU 397 Cb 1.63 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.61 3i3d h LEU 397 CO -0.16 0.15 0.42 -0.25 -0.34 0.00 0.00 178.44 178.27 3i3d h TRP 398 N 0.00 0.79 -0.11 1.25 2.91 -1.50 -1.61 115.95 117.68 3i3d h TRP 398 Ca -0.00 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.94 3i3d h TRP 398 Cb 0.38 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 3i3d h TRP 398 CO 0.00 0.43 -0.41 1.88 -1.03 0.00 0.00 178.44 179.31 3i3d h TYR 399 N 0.81 0.27 -0.44 2.65 -1.99 -1.69 -1.48 116.97 115.11 3i3d h TYR 399 Ca 0.29 -0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.90 3i3d h TYR 399 Cb 0.08 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 3i3d h TYR 399 CO -0.05 0.61 0.09 1.15 -0.00 0.00 0.00 178.16 179.96 3i3d h THR 400 N 0.20 1.24 -0.32 -2.88 2.02 -1.44 -0.18 112.91 111.55 3i3d h THR 400 Ca 0.02 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.23 3i3d h THR 400 Cb 0.81 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3i3d h THR 400 CO 0.06 0.30 -0.31 -0.07 0.37 0.00 0.00 175.52 175.87 3i3d h LEU 401 N 0.58 0.71 -1.00 2.58 3.38 -1.12 -1.74 115.31 118.70 3i3d h LEU 401 Ca 0.14 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3i3d h LEU 401 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3i3d h LEU 401 CO 0.00 0.98 -0.31 0.00 0.09 0.00 0.00 178.44 179.21 3i3d h ASP 403 N 0.30 0.53 0.36 0.00 3.32 -0.67 -1.27 116.42 118.98 3i3d h ASP 403 Ca 0.04 -0.27 -0.32 0.00 0.02 0.00 0.00 57.03 56.50 3i3d h ASP 403 Cb 0.69 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.12 3i3d h ASP 403 CO 0.05 0.66 -1.49 0.03 -1.72 0.00 0.00 179.24 176.78 3i3d h ARG 404 N 0.38 0.42 0.00 3.56 3.08 -1.09 -3.35 114.38 117.38 3i3d h ARG 404 Ca 0.10 -0.72 -0.20 0.00 0.07 0.00 0.00 59.98 59.23 3i3d h ARG 404 Cb 0.36 0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 3i3d h ARG 404 CO 0.01 1.33 -1.07 1.88 -1.07 0.00 0.00 179.97 181.05 3i3d h TYR 405 N 0.12 0.00 -0.56 3.04 -1.99 -0.77 -3.45 116.97 113.35 3i3d h TYR 405 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3i3d h TYR 405 Cb 2.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.83 3i3d h TYR 405 CO 0.10 0.83 0.00 0.41 -0.00 0.00 0.00 178.16 179.50 3i3d n GLY 406 N 1.37 -0.55 3.28 3.88 0.00 -0.52 -4.78 105.19 107.86 3i3d n GLY 406 Ca -0.04 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.03 0.18 0.12 0.99 1.43 -0.93 -4.66 118.68 115.79 3i3d s LEU 407 Ca 0.00 0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 53.64 3i3d s LEU 407 Cb 0.00 1.35 -0.06 0.00 0.03 0.00 0.00 46.19 47.51 3i3d s LEU 407 CO 0.00 -0.17 1.07 -0.31 0.23 0.00 0.00 176.35 177.17 3i3d s TYR 408 N 0.83 3.63 0.01 0.29 4.12 0.11 -4.70 117.35 121.64 3i3d s TYR 408 Ca -0.05 1.61 0.08 0.00 0.02 0.00 0.00 57.07 58.74 3i3d s TYR 408 Cb -0.06 -3.23 -0.02 0.00 -1.52 0.00 0.00 41.96 37.13 3i3d s TYR 408 CO -0.06 -0.44 -0.25 0.08 0.02 0.00 0.00 175.55 174.89 3i3d s VAL 409 N 0.17 2.02 -0.36 0.71 1.01 0.16 -0.52 120.40 123.59 3i3d s VAL 409 Ca 0.51 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3i3d s VAL 409 Cb -0.27 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.48 3i3d s VAL 409 CO 0.32 0.47 0.14 -0.69 0.00 0.00 0.00 175.10 175.35 3i3d s VAL 410 N -0.68 3.75 -0.17 2.92 1.01 -0.79 -1.32 120.40 125.11 3i3d s VAL 410 Ca 0.10 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.48 3i3d s VAL 410 Cb -0.10 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3i3d s VAL 410 CO 0.00 -0.32 0.89 -0.62 0.00 0.00 0.00 175.10 175.05 3i3d s ASP 411 N 1.62 7.01 -0.11 3.32 -1.08 -0.69 -1.93 116.67 124.80 3i3d s ASP 411 Ca 0.00 1.24 0.02 0.00 -0.52 0.00 0.00 52.55 53.30 3i3d s ASP 411 Cb -0.21 -2.48 -0.01 0.00 -1.46 0.00 0.00 42.92 38.77 3i3d s ASP 411 CO 0.01 -0.45 -0.19 -0.70 0.52 0.00 0.00 175.17 174.36 3i3d s GLU 412 N 2.33 3.14 0.54 4.34 2.12 -1.26 -0.36 118.70 129.54 3i3d s GLU 412 Ca 0.40 -0.80 -0.22 0.00 0.36 0.00 0.00 54.97 54.72 3i3d s GLU 412 Cb -0.16 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 3i3d s GLU 412 CO 0.12 0.22 1.35 0.00 -0.54 0.00 0.00 175.26 176.41 3i3d s ALA 413 N 0.28 2.85 -1.40 6.30 0.00 -0.37 -2.13 121.76 127.29 3i3d s ALA 413 Ca -0.14 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 3i3d s ALA 413 Cb -0.17 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.44 3i3d s ALA 413 CO 0.07 -1.33 2.07 -1.71 0.00 0.00 0.00 175.76 174.86 3i3d n ASN 414 N -0.96 4.19 -3.60 0.00 5.15 -1.26 -4.13 115.26 114.66 3i3d n ASN 414 Ca 0.10 -2.86 -0.25 0.00 -0.60 0.00 0.00 54.58 50.96 3i3d n ASN 414 Cb 0.45 -1.68 -0.17 0.00 -0.53 0.00 0.00 39.78 37.85 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 3.60 -0.11 -0.14 -1.44 1.01 -1.25 -4.77 121.20 118.10 3i3d s ILE 415 Ca 0.50 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 3i3d s ILE 415 Cb 0.11 -0.60 0.07 0.00 0.01 0.00 0.00 42.46 42.04 3i3d s ILE 415 CO -0.03 -0.30 0.28 -0.70 0.00 0.00 0.00 174.94 174.19 3i3d s GLU 416 N 2.15 0.17 -0.27 2.79 2.12 -0.36 -0.95 118.70 124.36 3i3d s GLU 416 Ca 0.03 0.78 0.10 0.00 0.36 0.00 0.00 54.97 56.24 3i3d s GLU 416 Cb -0.16 -0.00 0.46 0.00 0.26 0.00 0.00 34.13 34.69 3i3d s GLU 416 CO -0.11 -0.28 1.18 0.25 -0.54 0.00 0.00 175.26 175.76 3i3d n THR 417 N 5.36 2.25 -0.32 -1.70 -2.24 -1.14 -0.94 114.28 115.55 3i3d n THR 417 Ca -0.06 -3.84 0.17 0.00 -2.27 0.00 0.00 64.05 58.05 3i3d n THR 417 Cb 0.50 -0.64 0.37 0.00 -2.10 0.00 0.00 70.33 68.46 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 2.06 0.75 0.00 4.78 6.17 -1.31 -1.54 115.15 126.06 3i3d h HIS 418 Ca 0.24 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.36 3i3d h HIS 418 Cb 1.44 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 31.19 3i3d h HIS 418 CO 0.77 -0.09 0.00 0.41 0.71 0.00 0.00 177.93 179.73 3i3d n GLY 419 N -1.32 -0.85 3.80 5.26 0.00 -1.20 -4.76 105.19 106.11 3i3d n GLY 419 Ca 0.26 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.74 2.92 -0.22 1.61 -1.94 -0.58 -4.81 119.30 113.54 3i3d s MET 420 Ca 0.11 1.16 -0.02 0.00 -1.71 0.00 0.00 55.69 55.23 3i3d s MET 420 Cb 0.09 -1.98 0.07 0.00 2.01 0.00 0.00 34.83 35.02 3i3d s MET 420 CO 0.23 -1.13 0.03 0.08 -0.01 0.00 0.00 175.02 174.23 3i3d s VAL 421 N -2.68 0.70 1.01 -6.03 1.01 -1.26 -2.84 120.40 110.29 3i3d s VAL 421 Ca 0.62 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 3i3d s VAL 421 Cb -0.16 -1.23 0.19 0.00 0.00 0.00 0.00 36.38 35.18 3i3d s VAL 421 CO 0.46 -0.28 1.13 -2.16 0.00 0.00 0.00 175.10 174.26 3i3d s PRO 422 N 1.77 0.36 0.62 2.72 0.04 -1.26 -4.85 135.00 134.40 3i3d s PRO 422 Ca 0.00 0.22 0.36 0.00 0.04 0.00 0.00 61.00 61.62 3i3d s PRO 422 Cb -0.17 -1.76 1.94 0.00 0.04 0.00 0.00 34.50 34.55 3i3d s PRO 422 CO -0.11 -2.71 2.09 1.98 0.04 0.00 0.00 177.00 178.29 3i3d h MET 423 N -1.87 0.00 -0.55 4.56 4.05 -1.82 -2.14 114.93 117.17 3i3d h MET 423 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3i3d h MET 423 Cb 1.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 3i3d h MET 423 CO 0.53 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.94 3i3d n ASN 424 N -2.88 4.46 -0.36 1.39 6.94 -1.25 -3.57 115.26 119.99 3i3d n ASN 424 Ca -0.02 -2.50 0.08 0.00 -0.02 0.00 0.00 54.58 52.12 3i3d n ASN 424 Cb 0.19 -0.53 0.26 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 3.47 0.90 0.08 -3.83 2.43 -1.70 -1.16 114.38 114.57 3i3d h ARG 425 Ca 0.00 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 3i3d h ARG 425 Cb 1.39 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3i3d h ARG 425 CO 0.22 0.60 -1.23 -0.07 -1.51 0.00 0.00 179.97 177.97 3i3d h LEU 426 N 0.93 0.26 -0.91 3.80 3.38 -1.86 -3.33 115.31 117.58 3i3d h LEU 426 Ca 0.51 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3i3d h LEU 426 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3i3d h LEU 426 CO -0.30 1.53 0.00 0.35 0.09 0.00 0.00 178.44 180.11 3i3d n THR 427 N -4.09 1.02 0.61 0.22 -2.24 -1.12 -0.88 114.28 107.80 3i3d n THR 427 Ca -0.25 0.47 0.10 0.00 -2.27 0.00 0.00 64.05 62.10 3i3d n THR 427 Cb 0.81 -1.42 0.12 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.14 2.90 -4.55 3.42 2.03 -0.45 -1.89 116.55 115.86 3i3d n ASP 428 Ca 0.01 -1.88 -0.41 0.00 0.52 0.00 0.00 54.79 53.03 3i3d n ASP 428 Cb 0.12 -0.09 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.55 6.19 0.57 1.67 -1.08 -0.05 -4.59 116.67 117.83 3i3d s ASP 429 Ca 0.27 -0.18 0.26 0.00 -0.52 0.00 0.00 52.55 52.38 3i3d s ASP 429 Cb 0.18 -2.20 1.61 0.00 -1.46 0.00 0.00 42.92 41.05 3i3d s ASP 429 CO 0.26 -0.34 2.16 1.55 0.52 0.00 0.00 175.17 179.33 3i3d h PRO 430 N 8.44 0.00 0.00 4.34 0.13 -1.90 -0.50 132.00 142.52 3i3d h PRO 430 Ca -0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.69 0.00 -0.01 -0.09 -0.23 0.00 0.00 178.00 178.36 3i3d h ARG 431 N 0.00 0.00 -0.14 0.86 2.43 -1.93 -1.30 114.38 114.30 3i3d h ARG 431 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3i3d h ARG 431 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3i3d h ARG 431 CO -0.00 0.01 0.00 0.91 -1.51 0.00 0.00 179.97 179.38 3i3d n TRP 432 N -4.27 0.15 -0.30 2.20 7.02 -0.20 -4.43 117.44 117.61 3i3d n TRP 432 Ca -0.03 -0.08 -0.04 0.00 -1.02 0.00 0.00 57.50 56.33 3i3d n TRP 432 Cb 0.10 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.06 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 4.03 1.01 0.22 -0.99 5.85 -1.19 -2.23 115.31 122.00 3i3d h LEU 433 Ca 0.00 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i3d h LEU 433 Cb 0.87 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3i3d h LEU 433 CO 0.00 0.79 -0.18 -0.65 -0.34 0.00 0.00 178.44 178.06 3i3d h PRO 434 N 1.13 -0.40 -0.97 5.25 0.11 -1.77 0.43 132.00 135.78 3i3d h PRO 434 Ca 0.29 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.46 3i3d h PRO 434 Cb -0.01 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.13 3i3d h PRO 434 CO -0.05 -0.27 0.64 0.00 -0.21 0.00 0.00 178.00 178.11 3i3d h ALA 435 N 0.33 1.28 -0.38 -0.75 0.00 -1.73 -2.47 119.26 115.55 3i3d h ALA 435 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3i3d h ALA 435 Cb 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i3d h ALA 435 CO -0.02 0.53 -0.12 0.52 0.00 0.00 0.00 179.25 180.16 3i3d h MET 436 N 1.24 0.75 -0.85 0.00 2.86 -1.02 -3.19 114.93 114.72 3i3d h MET 436 Ca 0.38 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3i3d h MET 436 Cb -0.01 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 3i3d h MET 436 CO -0.12 0.91 0.56 0.66 1.06 0.00 0.00 176.91 179.98 3i3d h SER 437 N 0.56 0.94 -0.52 1.22 4.64 0.30 -2.54 113.55 118.15 3i3d h SER 437 Ca 0.09 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 3i3d h SER 437 Cb 0.65 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3i3d h SER 437 CO 0.04 0.66 0.06 -0.33 -0.87 0.00 0.00 176.83 176.39 3i3d h GLU 438 N 1.10 0.92 0.00 4.77 5.08 -1.47 0.12 114.58 125.11 3i3d h GLU 438 Ca 0.33 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3i3d h GLU 438 Cb -0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3i3d h GLU 438 CO -0.09 0.88 -0.22 0.00 -1.00 0.00 0.00 179.01 178.58 3i3d h ARG 439 N 0.87 0.00 0.00 2.33 3.08 -1.46 -1.24 114.38 117.95 3i3d h ARG 439 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i3d h ARG 439 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3i3d h ARG 439 CO 0.01 0.22 -0.23 0.28 -1.07 0.00 0.00 179.97 179.18 3i3d h VAL 440 N 0.00 0.00 -0.72 2.04 2.07 -1.24 -3.33 116.25 115.07 3i3d h VAL 440 Ca -0.00 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.75 3i3d h VAL 440 Cb 0.45 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 3i3d h VAL 440 CO 0.03 0.00 0.39 0.71 0.02 0.00 0.00 177.57 178.72 3i3d h THR 441 N -0.85 0.90 0.00 2.57 1.35 -0.81 -1.43 112.91 114.65 3i3d h THR 441 Ca 0.00 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 65.60 3i3d h THR 441 Cb 0.23 0.17 -0.00 0.00 -1.73 0.00 0.00 68.15 66.81 3i3d h THR 441 CO 0.00 0.12 -0.16 0.03 -0.25 0.00 0.00 175.52 175.26 3i3d h ARG 442 N 0.67 0.00 -0.04 4.72 3.08 -1.43 -0.39 114.38 120.99 3i3d h ARG 442 Ca 0.34 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.36 3i3d h ARG 442 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3i3d h ARG 442 CO -0.23 0.16 -0.11 1.98 -1.07 0.00 0.00 179.97 180.70 3i3d h MET 443 N 0.00 0.15 -0.62 0.04 4.05 -1.39 -2.66 114.93 114.50 3i3d h MET 443 Ca -0.00 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 3i3d h MET 443 Cb 0.59 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 3i3d h MET 443 CO 0.02 0.71 0.36 0.28 0.23 0.00 0.00 176.91 178.51 3i3d h VAL 444 N -0.40 1.19 0.00 -5.77 2.07 -1.08 -0.92 116.25 111.34 3i3d h VAL 444 Ca -0.00 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3i3d h VAL 444 Cb 0.72 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3i3d h VAL 444 CO 0.02 0.20 -0.09 1.56 0.02 0.00 0.00 177.57 179.28 3i3d h GLN 445 N 0.84 0.00 0.14 1.57 4.20 -1.11 -1.59 115.11 119.15 3i3d h GLN 445 Ca 0.22 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.59 3i3d h GLN 445 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3i3d h GLN 445 CO -0.04 0.09 -1.78 -0.09 -0.67 0.00 0.00 178.83 176.34 3i3d h ARG 446 N 0.00 0.30 -0.09 1.46 2.43 -1.01 -2.95 114.38 114.53 3i3d h ARG 446 Ca -0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3i3d h ARG 446 Cb 0.20 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3i3d h ARG 446 CO 0.01 1.24 0.00 -0.25 -1.51 0.00 0.00 179.97 179.47 3i3d n ASP 447 N -3.64 2.49 0.17 -3.80 8.00 -0.42 -4.31 116.55 115.04 3i3d n ASP 447 Ca -0.28 -1.72 0.10 0.00 0.71 0.00 0.00 54.79 53.60 3i3d n ASP 447 Cb 1.02 -0.05 0.56 0.00 -0.02 0.00 0.00 41.12 42.63 3i3d n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3i3d h ARG 448 N 3.13 0.00 -0.02 -1.24 0.11 -1.50 -1.85 114.38 113.01 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 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 3i3d h ARG 448 CO 0.00 0.00 -0.25 0.09 0.10 0.00 0.00 179.97 179.91 3i3d n ASN 449 N -2.24 2.01 -4.67 0.08 3.02 -1.26 -4.84 115.26 107.36 3i3d n ASN 449 Ca -0.01 -1.52 -0.43 0.00 -0.03 0.00 0.00 54.58 52.59 3i3d n ASN 449 Cb 0.11 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 3i3d n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i3d s HIS 450 N -2.29 3.39 0.32 3.10 3.76 -0.70 -4.85 115.29 118.02 3i3d s HIS 450 Ca 0.25 1.50 0.19 0.00 -0.15 0.00 0.00 55.06 56.85 3i3d s HIS 450 Cb 0.19 -3.24 0.95 0.00 1.11 0.00 0.00 32.58 31.59 3i3d s HIS 450 CO 0.46 -0.40 1.88 -1.00 -0.85 0.00 0.00 174.74 174.83 3i3d h PRO 451 N 7.35 0.00 -0.21 8.40 0.13 -1.88 -2.98 132.00 142.81 3i3d h PRO 451 Ca -0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 3i3d h PRO 451 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3i3d h PRO 451 CO 0.94 0.28 -0.04 0.66 -0.23 0.00 0.00 178.00 179.61 3i3d h SER 452 N 0.00 0.30 -3.12 1.44 4.64 -1.87 -3.39 113.55 111.55 3i3d h SER 452 Ca -0.00 -0.05 -0.57 0.00 -0.47 0.00 0.00 61.79 60.70 3i3d h SER 452 Cb 0.62 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 3i3d h SER 452 CO 0.04 0.39 1.03 -0.69 -0.87 0.00 0.00 176.83 176.73 3i3d s VAL 453 N -4.90 3.98 -0.31 0.95 1.01 -1.13 0.38 120.40 120.38 3i3d s VAL 453 Ca -0.06 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.06 3i3d s VAL 453 Cb 0.16 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 3i3d s VAL 453 CO 0.73 -0.54 0.28 2.30 0.00 0.00 0.00 175.10 177.88 3i3d n ILE 454 N 6.55 0.00 -3.81 2.22 -5.35 -0.44 -4.90 119.36 113.63 3i3d n ILE 454 Ca 0.16 -0.33 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 3i3d n ILE 454 Cb 0.47 0.97 -0.13 0.00 -1.74 0.00 0.00 39.64 39.21 3i3d n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3i3d s ILE 455 N -1.68 -0.01 -0.07 7.28 1.01 -1.19 -3.90 121.20 122.64 3i3d s ILE 455 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 3i3d s ILE 455 Cb 0.05 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 3i3d s ILE 455 CO 0.28 0.01 0.16 0.26 0.00 0.00 0.00 174.94 175.65 3i3d s TRP 456 N 0.25 3.58 -0.07 3.97 0.52 -0.76 -1.71 118.94 124.71 3i3d s TRP 456 Ca -0.01 0.45 0.04 0.00 0.02 0.00 0.00 56.10 56.60 3i3d s TRP 456 Cb -0.03 -1.89 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 3i3d s TRP 456 CO -0.01 0.70 -0.21 0.45 0.02 0.00 0.00 176.95 177.90 3i3d s SER 457 N -1.44 2.65 0.00 2.95 0.15 0.51 -0.44 113.70 118.07 3i3d s SER 457 Ca 0.21 -0.46 0.18 0.00 0.70 0.00 0.00 55.95 56.58 3i3d s SER 457 Cb -0.12 -1.00 1.10 0.00 -1.71 0.00 0.00 66.02 64.29 3i3d s SER 457 CO 0.11 0.16 1.56 0.18 1.20 0.00 0.00 173.24 176.44 3i3d n LEU 458 N 3.36 0.00 0.00 3.45 4.77 -0.99 -1.23 117.00 126.35 3i3d n LEU 458 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3i3d n LEU 458 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i3d n LEU 458 CO 0.26 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3i3d n GLY 459 N 0.45 0.52 3.33 -0.72 0.00 -1.26 -4.65 105.19 102.86 3i3d n GLY 459 Ca 0.14 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 3i3d n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3d s ASN 460 N -4.00 -0.35 -0.48 1.61 2.47 -0.12 -4.74 114.94 109.32 3i3d s ASN 460 Ca 0.00 0.39 -0.08 0.00 0.42 0.00 0.00 52.86 53.59 3i3d s ASN 460 Cb 0.00 0.48 0.01 0.00 -1.45 0.00 0.00 41.25 40.29 3i3d s ASN 460 CO 0.00 -0.43 0.31 -0.62 -3.72 0.00 0.00 177.10 172.63 3i3d n GLU 461 N 1.48 -0.70 -0.94 0.43 1.02 -1.26 -4.01 120.64 116.66 3i3d n GLU 461 Ca -0.19 0.08 0.04 0.00 -0.02 0.00 0.00 57.16 57.07 3i3d n GLU 461 Cb 0.56 -0.88 0.07 0.00 -0.02 0.00 0.00 31.44 31.17 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 -0.79 1.10 0.00 1.62 7.64 -1.26 -0.97 113.62 120.95 3i3d n SER 462 Ca -0.11 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.22 3i3d n SER 462 Cb 0.31 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.18 0.94 2.88 0.23 0.00 -1.23 -3.96 105.19 103.87 3i3d n GLY 463 Ca 0.09 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 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 1.54 0.38 1.61 2.46 -1.26 -3.72 115.29 116.31 3i3d s HIS 464 Ca 0.00 -0.93 0.04 0.00 0.47 0.00 0.00 55.06 54.64 3i3d s HIS 464 Cb 0.00 -1.25 -0.05 0.00 -0.13 0.00 0.00 32.58 31.15 3i3d s HIS 464 CO 0.00 -0.57 0.05 0.20 -2.47 0.00 0.00 174.74 171.95 3i3d s GLY 465 N 1.69 2.37 0.52 1.59 0.00 -1.26 -4.85 107.32 107.38 3i3d s GLY 465 Ca 0.02 -1.77 0.20 0.00 0.00 0.00 0.00 44.72 43.17 3i3d s GLY 465 CO -0.08 -1.92 2.13 0.00 0.00 0.00 0.00 173.10 173.23 3i3d h ALA 466 N 1.89 1.74 -0.11 3.20 0.00 -1.80 -1.42 119.26 122.76 3i3d h ALA 466 Ca -0.41 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3i3d h ALA 466 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3i3d h ALA 466 CO 0.70 0.07 -0.11 -0.91 0.00 0.00 0.00 179.25 179.01 3i3d h ASN 467 N 0.00 0.16 -0.39 0.00 2.35 -1.69 -2.25 115.58 113.76 3i3d h ASN 467 Ca -0.00 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 3i3d h ASN 467 Cb 0.11 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3i3d h ASN 467 CO 0.01 0.29 -0.06 0.45 -1.65 0.00 0.00 177.43 176.47 3i3d h HIS 468 N 0.17 0.80 -0.39 1.19 3.86 -1.43 -2.14 115.15 117.21 3i3d h HIS 468 Ca 0.04 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.01 3i3d h HIS 468 Cb 0.30 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3i3d h HIS 468 CO 0.00 0.84 -0.07 -0.44 0.86 0.00 0.00 177.93 179.12 3i3d h ASP 469 N 0.53 0.64 -0.32 2.45 3.32 -1.45 0.49 116.42 122.08 3i3d h ASP 469 Ca 0.10 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 3i3d h ASP 469 Cb 0.56 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3i3d h ASP 469 CO 0.03 0.75 -0.18 0.00 -1.72 0.00 0.00 179.24 178.12 3i3d h ALA 470 N 1.32 0.45 0.00 3.45 0.00 -1.32 -2.01 119.26 121.15 3i3d h ALA 470 Ca 0.11 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3i3d h ALA 470 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i3d h ALA 470 CO 0.03 0.38 -0.42 -0.07 0.00 0.00 0.00 179.25 179.17 3i3d h LEU 471 N 0.45 0.00 -0.17 0.00 3.38 -1.25 -1.39 115.31 116.34 3i3d h LEU 471 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3i3d h LEU 471 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3i3d h LEU 471 CO 0.05 0.42 0.01 0.22 0.09 0.00 0.00 178.44 179.23 3i3d h TYR 472 N 0.00 0.31 -0.18 1.13 3.20 -0.78 -2.54 116.97 118.11 3i3d h TYR 472 Ca -0.00 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 3i3d h TYR 472 Cb 1.07 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 3i3d h TYR 472 CO 0.00 0.49 -0.26 -0.09 -1.64 0.00 0.00 178.16 176.67 3i3d h ARG 473 N 0.04 0.34 -0.18 1.82 9.65 -1.19 -2.46 114.38 122.40 3i3d h ARG 473 Ca 0.05 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3i3d h ARG 473 Cb 0.36 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 3i3d h ARG 473 CO 0.01 0.57 0.12 2.35 2.80 0.00 0.00 179.97 185.82 3i3d h TRP 474 N 0.30 0.23 -0.34 2.20 7.01 -1.08 -1.47 115.95 122.80 3i3d h TRP 474 Ca 0.05 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 3i3d h TRP 474 Cb 0.62 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 3i3d h TRP 474 CO 0.01 0.15 0.09 0.82 -2.79 0.00 0.00 178.44 176.72 3i3d h ILE 475 N 0.25 1.22 -0.49 2.65 2.04 -1.29 -1.47 117.51 120.41 3i3d h ILE 475 Ca 0.07 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.28 3i3d h ILE 475 Cb -0.03 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3i3d h ILE 475 CO -0.01 0.25 0.33 0.11 0.00 0.00 0.00 178.15 178.82 3i3d h LYS 476 N 0.40 0.32 0.03 2.37 1.79 -1.26 0.28 116.57 120.50 3i3d h LYS 476 Ca 0.11 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 3i3d h LYS 476 Cb 0.28 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 3i3d h LYS 476 CO -0.00 0.21 -0.51 1.03 -1.08 0.00 0.00 179.45 179.10 3i3d h SER 477 N 0.33 0.40 1.44 0.86 0.87 -0.84 -3.26 113.55 113.35 3i3d h SER 477 Ca 0.22 -0.81 -0.01 0.00 -1.23 0.00 0.00 61.79 59.96 3i3d h SER 477 Cb 0.44 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3i3d h SER 477 CO -0.05 1.17 -0.57 -0.37 -0.53 0.00 0.00 176.83 176.48 3i3d h VAL 478 N -0.32 0.05 -2.00 2.23 -1.51 -0.92 -3.42 116.25 110.36 3i3d h VAL 478 Ca -0.07 -1.08 -0.43 0.00 -1.23 0.00 0.00 66.70 63.89 3i3d h VAL 478 Cb 1.27 1.77 -0.32 0.00 -2.13 0.00 0.00 31.29 31.88 3i3d h VAL 478 CO 0.10 0.03 -0.78 -0.62 -1.23 0.00 0.00 177.57 175.07 3i3d s ASP 479 N -5.78 0.97 0.00 4.19 2.15 0.94 -4.98 116.67 114.16 3i3d s ASP 479 Ca 0.03 -2.22 0.26 0.00 0.43 0.00 0.00 52.55 51.05 3i3d s ASP 479 Cb 0.07 0.34 1.55 0.00 -0.30 0.00 0.00 42.92 44.58 3i3d s ASP 479 CO 0.74 -0.19 1.94 -0.81 -0.17 0.00 0.00 175.17 176.68 3i3d n PRO 480 N 3.48 0.90 0.00 4.34 -0.04 -1.23 -3.60 135.00 138.84 3i3d n PRO 480 Ca 0.19 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.79 3i3d n PRO 480 Cb 0.47 -1.45 0.60 0.00 -0.04 0.00 0.00 33.50 33.07 3i3d n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i3d n SER 481 N -0.95 0.04 -3.99 3.54 3.41 -1.26 -4.81 113.62 109.59 3i3d n SER 481 Ca 0.20 0.42 -0.20 0.00 -0.26 0.00 0.00 58.87 59.03 3i3d n SER 481 Cb 0.09 -0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 63.45 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 -2.99 0.90 0.74 4.33 0.52 -1.24 -4.23 118.95 116.98 3i3d s ARG 482 Ca 0.14 -0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 54.94 3i3d s ARG 482 Cb 0.19 -0.85 0.04 0.00 0.52 0.00 0.00 34.95 34.85 3i3d s ARG 482 CO 0.54 0.11 1.11 -2.14 0.02 0.00 0.00 175.30 174.94 3i3d s PRO 483 N 0.19 2.34 -0.09 3.54 0.02 -1.25 -4.80 135.00 134.95 3i3d s PRO 483 Ca -0.03 1.34 0.03 0.00 0.02 0.00 0.00 61.00 62.36 3i3d s PRO 483 Cb -0.08 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 3i3d s PRO 483 CO 0.00 -1.60 -0.18 0.08 -0.33 0.00 0.00 177.00 174.97 3i3d s VAL 484 N -2.59 2.65 0.15 3.83 1.01 -1.26 -1.83 120.40 122.36 3i3d s VAL 484 Ca 0.65 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3i3d s VAL 484 Cb -0.20 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3i3d s VAL 484 CO 0.50 0.55 -0.12 0.00 0.00 0.00 0.00 175.10 176.03 3i3d s GLN 485 N 0.01 1.11 -0.29 2.72 -2.07 0.41 -0.16 119.66 121.40 3i3d s GLN 485 Ca -0.06 -1.43 -0.18 0.00 -1.82 0.00 0.00 55.36 51.87 3i3d s GLN 485 Cb -0.15 -0.82 0.12 0.00 -1.09 0.00 0.00 33.01 31.08 3i3d s GLN 485 CO 0.05 0.13 0.92 -0.47 -1.32 0.00 0.00 175.29 174.60 3i3d s TYR 486 N -2.92 -0.65 -0.10 9.60 5.04 -1.26 -2.34 117.35 124.71 3i3d s TYR 486 Ca 0.16 1.37 0.16 0.00 -2.44 0.00 0.00 57.07 56.32 3i3d s TYR 486 Cb -0.00 0.40 -0.16 0.00 0.35 0.00 0.00 41.96 42.55 3i3d s TYR 486 CO 0.03 -0.32 0.78 -1.91 -1.34 0.00 0.00 175.55 172.79 3i3d n GLU 487 N 3.44 0.62 -1.57 4.97 0.00 -1.26 -4.66 120.64 122.18 3i3d n GLU 487 Ca -0.17 0.24 -0.40 0.00 0.00 0.00 0.00 57.16 56.83 3i3d n GLU 487 Cb 0.57 -1.80 0.02 0.00 0.00 0.00 0.00 31.44 30.23 3i3d n GLU 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i3d n GLY 488 N 1.43 -0.59 2.15 8.31 0.00 -1.26 -0.38 105.19 114.86 3i3d n GLY 488 Ca -0.11 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 1.37 0.67 0.00 -0.02 0.00 -1.24 -4.03 105.19 101.94 3i3d n GLY 489 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.04 1.05 4.13 -0.02 0.00 -1.22 -4.71 105.19 102.38 3i3d n GLY 490 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.05 0.00 -2.26 4.61 0.00 0.49 -4.67 120.51 118.64 3i3d n ALA 491 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i3d n ALA 491 Cb 0.00 -0.58 0.06 0.00 0.00 0.00 0.00 19.45 18.92 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 1.08 -3.32 0.00 5.75 -1.26 -2.39 116.55 116.42 3i3d n ASP 492 Ca 0.00 -2.39 -0.23 0.00 -0.01 0.00 0.00 54.79 52.16 3i3d n ASP 492 Cb 0.00 -0.34 0.19 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.11 0.00 1.56 2.12 -2.24 -1.26 -4.91 114.28 109.65 3i3d n THR 493 Ca 0.08 -0.40 0.13 0.00 -2.27 0.00 0.00 64.05 61.58 3i3d n THR 493 Cb 1.02 -1.22 0.74 0.00 -2.10 0.00 0.00 70.33 68.77 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 -4.22 0.01 -0.91 4.28 -2.24 -1.26 -3.15 114.28 106.79 3i3d n THR 494 Ca 0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 3i3d n THR 494 Cb 0.45 -0.61 0.34 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 -1.01 3.44 -3.26 6.98 0.00 -1.26 -4.95 120.51 120.45 3i3d n ALA 495 Ca 0.19 -2.04 -0.13 0.00 0.00 0.00 0.00 53.44 51.46 3i3d n ALA 495 Cb 0.09 -0.94 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.69 -0.02 -0.93 0.00 -1.32 -1.19 -4.10 115.64 105.39 3i3d s THR 496 Ca 0.49 0.06 0.26 0.00 -1.21 0.00 0.00 61.69 61.28 3i3d s THR 496 Cb 0.38 -0.21 0.06 0.00 -1.51 0.00 0.00 72.50 71.21 3i3d s THR 496 CO 0.14 0.02 1.49 0.47 -2.21 0.00 0.00 174.62 174.53 3i3d n ASP 497 N 3.41 0.46 -4.03 8.08 8.00 0.77 -4.84 116.55 128.40 3i3d n ASP 497 Ca -0.17 -0.04 -0.22 0.00 0.71 0.00 0.00 54.79 55.07 3i3d n ASP 497 Cb 0.57 0.09 -0.16 0.00 -0.02 0.00 0.00 41.12 41.60 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 -3.03 0.92 -0.34 0.53 1.01 -1.26 -4.51 121.20 114.52 3i3d s ILE 498 Ca 0.11 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 3i3d s ILE 498 Cb 0.17 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.82 3i3d s ILE 498 CO 0.67 0.28 1.44 -0.63 0.00 0.00 0.00 174.94 176.71 3i3d s ILE 499 N 0.21 3.91 -0.51 2.92 1.01 -0.06 -4.71 121.20 123.98 3i3d s ILE 499 Ca -0.04 0.98 0.07 0.00 0.00 0.00 0.00 60.65 61.67 3i3d s ILE 499 Cb -0.10 -4.06 0.35 0.00 0.01 0.00 0.00 42.46 38.67 3i3d s ILE 499 CO 0.01 -0.56 0.90 0.00 0.00 0.00 0.00 174.94 175.29 3i3d s PRO 501 N -3.19 2.07 -0.17 0.00 0.04 -1.26 -3.55 135.00 128.94 3i3d s PRO 501 Ca 0.46 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 3i3d s PRO 501 Cb 0.31 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.98 3i3d s PRO 501 CO -0.12 -1.82 -0.09 0.00 0.04 0.00 0.00 177.00 175.01 3i3d s MET 502 N -4.42 3.40 -1.47 4.56 0.23 -1.26 -2.07 119.30 118.27 3i3d s MET 502 Ca 0.67 -0.65 0.00 0.00 -1.03 0.00 0.00 55.69 54.68 3i3d s MET 502 Cb -0.22 -2.81 0.00 0.00 -1.53 0.00 0.00 34.83 30.27 3i3d s MET 502 CO 0.50 0.03 0.00 0.66 -2.03 0.00 0.00 175.02 174.19 3i3d n TYR 503 N 4.08 -0.31 -2.36 3.16 4.02 0.11 -4.97 117.16 120.90 3i3d n TYR 503 Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.30 3i3d n TYR 503 Cb 0.52 -2.88 -0.03 0.00 -0.02 0.00 0.00 39.34 36.93 3i3d n TYR 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i3d s ALA 504 N -2.65 3.44 0.62 -0.72 0.00 -1.26 -4.88 121.76 116.31 3i3d s ALA 504 Ca 0.00 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 3i3d s ALA 504 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3i3d s ALA 504 CO 0.00 -0.36 0.94 1.03 0.00 0.00 0.00 175.76 177.37 3i3d s ARG 505 N -0.68 2.88 0.01 0.00 0.52 -1.26 -4.80 118.95 115.62 3i3d s ARG 505 Ca 0.51 0.07 -0.25 0.00 -0.52 0.00 0.00 55.73 55.53 3i3d s ARG 505 Cb -0.33 -2.22 -0.16 0.00 0.52 0.00 0.00 34.95 32.75 3i3d s ARG 505 CO 0.39 -0.78 1.23 0.28 0.02 0.00 0.00 175.30 176.44 3i3d h VAL 506 N -0.28 0.56 0.00 3.52 2.07 -1.94 -1.39 116.25 118.79 3i3d h VAL 506 Ca -0.45 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 3i3d h VAL 506 Cb 1.26 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3i3d h VAL 506 CO 0.61 0.09 -1.51 0.47 0.02 0.00 0.00 177.57 177.25 3i3d n ASP 507 N -5.19 2.95 -4.70 0.57 8.00 -1.26 -3.35 116.55 113.56 3i3d n ASP 507 Ca -0.10 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.01 3i3d n ASP 507 Cb 0.28 0.97 -0.05 0.00 -0.02 0.00 0.00 41.12 42.30 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 -2.36 4.35 0.41 -1.24 2.12 -1.26 -4.74 118.70 115.98 3i3d s GLU 508 Ca -0.04 0.69 -0.14 0.00 0.36 0.00 0.00 54.97 55.84 3i3d s GLU 508 Cb 0.04 -3.48 -0.08 0.00 0.26 0.00 0.00 34.13 30.87 3i3d s GLU 508 CO 0.35 0.02 0.82 -0.51 -0.54 0.00 0.00 175.26 175.40 3i3d s ASP 509 N 0.84 6.65 -0.49 -1.70 1.01 -1.26 -3.85 116.67 117.87 3i3d s ASP 509 Ca 0.32 1.31 0.04 0.00 0.71 0.00 0.00 52.55 54.93 3i3d s ASP 509 Cb -0.16 -2.39 0.17 0.00 1.01 0.00 0.00 42.92 41.54 3i3d s ASP 509 CO 0.14 -0.38 0.37 -1.10 0.21 0.00 0.00 175.17 174.41 3i3d s GLN 510 N -3.59 1.34 0.00 8.23 -0.21 0.32 -4.93 119.66 120.82 3i3d s GLN 510 Ca 0.55 -2.42 -0.01 0.00 0.02 0.00 0.00 55.36 53.49 3i3d s GLN 510 Cb -0.10 -2.01 -0.05 0.00 1.00 0.00 0.00 33.01 31.85 3i3d s GLN 510 CO 0.26 -1.34 1.06 -0.35 -2.12 0.00 0.00 175.29 172.79 3i3d n PRO 511 N 2.68 0.41 -1.66 2.91 -0.04 -1.26 -0.63 135.00 137.40 3i3d n PRO 511 Ca 0.25 -0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 3i3d n PRO 511 Cb 0.43 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 3i3d n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3i3d n PHE 512 N 2.67 1.67 -1.89 0.54 0.99 -1.26 -4.83 117.46 115.35 3i3d n PHE 512 Ca 0.08 0.50 -0.41 0.00 -0.00 0.00 0.00 57.45 57.63 3i3d n PHE 512 Cb 0.19 -2.30 -0.00 0.00 -1.00 0.00 0.00 39.48 36.37 3i3d n PHE 512 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 3i3d s PRO 513 N -2.28 4.08 0.00 -1.08 0.02 -1.26 -2.26 135.00 132.21 3i3d s PRO 513 Ca 0.65 2.44 0.00 0.00 0.02 0.00 0.00 61.00 64.11 3i3d s PRO 513 Cb -0.50 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3i3d s PRO 513 CO 0.55 -0.51 0.00 0.00 -0.33 0.00 0.00 177.00 176.71 3i3d n ALA 514 N 0.39 0.00 -2.99 -1.55 0.00 -1.26 -4.45 120.51 110.65 3i3d n ALA 514 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 3i3d n ALA 514 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 2.51 -1.45 0.00 0.24 -1.24 -4.79 118.33 113.61 3i3d n VAL 515 Ca 0.00 -5.41 -0.34 0.00 -2.04 0.00 0.00 64.34 56.55 3i3d n VAL 515 Cb 0.00 -1.20 0.09 0.00 -1.47 0.00 0.00 33.84 31.26 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 -3.29 2.20 -0.49 7.34 0.04 -0.96 -4.60 135.00 135.24 3i3d s PRO 516 Ca 0.47 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 63.19 3i3d s PRO 516 Cb 0.29 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 33.11 3i3d s PRO 516 CO -0.13 -1.77 0.26 0.15 0.04 0.00 0.00 177.00 175.56 3i3d s LYS 517 N -3.99 2.08 0.67 4.56 1.02 0.20 -4.87 119.74 119.40 3i3d s LYS 517 Ca 0.72 -2.24 -0.11 0.00 0.02 0.00 0.00 55.97 54.37 3i3d s LYS 517 Cb -0.27 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 3i3d s LYS 517 CO 0.45 -1.09 1.05 -1.58 -0.92 0.00 0.00 175.35 173.27 3i3d s TRP 518 N 0.39 3.30 0.29 3.18 0.52 -1.26 -0.52 118.94 124.83 3i3d s TRP 518 Ca 0.13 1.34 -0.30 0.00 0.02 0.00 0.00 56.10 57.30 3i3d s TRP 518 Cb -0.22 -2.84 -0.13 0.00 -1.15 0.00 0.00 33.47 29.13 3i3d s TRP 518 CO -0.04 -1.06 1.32 0.45 0.02 0.00 0.00 176.95 177.64 3i3d n SER 519 N -3.00 2.63 0.11 2.95 2.88 -1.25 -4.35 113.62 113.58 3i3d n SER 519 Ca 0.07 1.17 0.02 0.00 -1.33 0.00 0.00 58.87 58.80 3i3d n SER 519 Cb 0.54 -1.44 0.38 0.00 -0.75 0.00 0.00 64.21 62.94 3i3d n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3i3d h ILE 520 N 2.74 1.18 -0.61 2.46 3.07 -1.25 0.21 117.51 125.31 3i3d h ILE 520 Ca -0.45 -0.77 -0.09 0.00 1.55 0.00 0.00 64.86 65.10 3i3d h ILE 520 Cb 1.28 1.17 -0.02 0.00 -0.27 0.00 0.00 36.82 38.98 3i3d h ILE 520 CO 0.69 0.24 0.03 0.11 -1.05 0.00 0.00 178.15 178.17 3i3d h LYS 521 N 0.26 1.05 -0.03 0.16 1.57 -1.84 -3.04 116.57 114.70 3i3d h LYS 521 Ca 0.05 -0.31 -0.24 0.00 -1.87 0.00 0.00 60.65 58.28 3i3d h LYS 521 Cb 0.36 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.57 3i3d h LYS 521 CO 0.02 1.01 -0.95 -0.22 -0.57 0.00 0.00 179.45 178.73 3i3d h LYS 522 N 0.97 0.59 -0.66 3.15 3.64 -1.66 -3.31 116.57 119.29 3i3d h LYS 522 Ca 0.18 -0.60 0.11 0.00 -1.27 0.00 0.00 60.65 59.07 3i3d h LYS 522 Cb 0.51 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 3i3d h LYS 522 CO 0.02 1.22 0.25 2.35 -2.27 0.00 0.00 179.45 181.02 3i3d h TRP 523 N 0.35 0.43 -0.91 1.91 2.91 -0.51 -2.28 115.95 117.85 3i3d h TRP 523 Ca -0.10 0.03 0.15 0.00 1.13 0.00 0.00 58.89 60.10 3i3d h TRP 523 Cb 1.59 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 30.07 3i3d h TRP 523 CO 0.08 0.09 0.58 -0.07 -1.03 0.00 0.00 178.44 178.09 3i3d h LEU 524 N 0.42 0.68 -3.08 0.65 3.38 -1.62 -2.89 115.31 112.85 3i3d h LEU 524 Ca 0.34 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3i3d h LEU 524 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3i3d h LEU 524 CO -0.34 0.34 0.00 -1.54 0.09 0.00 0.00 178.44 176.98 3i3d n SER 525 N -4.58 4.49 -4.72 -0.43 3.41 -0.87 -4.55 113.62 106.38 3i3d n SER 525 Ca 0.18 -2.39 -0.40 0.00 -0.26 0.00 0.00 58.87 56.00 3i3d n SER 525 Cb 0.47 -0.54 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.06 4.74 -4.67 1.04 4.77 -1.09 -4.76 117.00 118.10 3i3d n LEU 526 Ca 0.24 1.06 -0.66 0.00 -0.03 0.00 0.00 56.01 56.62 3i3d n LEU 526 Cb 0.82 -1.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.27 3i3d n LEU 526 CO 0.21 -0.56 1.26 -2.65 -1.33 0.00 0.00 177.39 174.32 3i3d n PRO 527 N -0.38 0.08 0.00 3.23 -0.02 -1.26 -0.52 135.00 136.13 3i3d n PRO 527 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3i3d n PRO 527 Cb 0.42 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 4.59 2.55 3.74 -1.23 0.00 -1.26 -5.03 105.19 108.54 3i3d n GLY 528 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 4.54 0.00 1.61 2.56 0.32 -4.90 118.70 122.52 3i3d s GLU 529 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 54.97 56.75 3i3d s GLU 529 Cb 0.00 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 32.86 3i3d s GLU 529 CO 0.00 -0.01 0.00 0.25 -0.56 0.00 0.00 175.26 174.94 3i3d n THR 530 N 2.49 0.00 -1.80 -1.70 -2.24 -1.26 -4.77 114.28 105.00 3i3d n THR 530 Ca 0.04 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 3i3d n THR 530 Cb 0.46 0.94 0.04 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.29 2.87 0.59 -0.78 0.52 -1.26 -3.87 118.95 116.74 3i3d s ARG 531 Ca 0.00 1.37 -0.15 0.00 -0.52 0.00 0.00 55.73 56.44 3i3d s ARG 531 Cb 0.00 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 3i3d s ARG 531 CO 0.00 -1.19 1.03 -1.25 0.02 0.00 0.00 175.30 173.91 3i3d s PRO 532 N -4.08 3.45 -0.14 3.54 0.04 -1.10 -4.77 135.00 131.94 3i3d s PRO 532 Ca 0.67 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.77 3i3d s PRO 532 Cb -0.20 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.29 3i3d s PRO 532 CO 0.41 -0.69 -0.22 -1.17 0.04 0.00 0.00 177.00 175.37 3i3d s LEU 533 N -4.64 2.09 -0.14 -3.56 0.20 -0.02 -0.88 118.68 111.73 3i3d s LEU 533 Ca 0.60 -0.60 -0.04 0.00 0.69 0.00 0.00 54.13 54.79 3i3d s LEU 533 Cb -0.13 -1.43 0.05 0.00 -0.43 0.00 0.00 46.19 44.25 3i3d s LEU 533 CO 0.40 0.08 0.07 -0.63 -0.29 0.00 0.00 176.35 175.98 3i3d s ILE 534 N 0.82 0.02 0.11 6.68 1.01 0.03 -1.50 121.20 128.36 3i3d s ILE 534 Ca -0.07 -0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.19 3i3d s ILE 534 Cb -0.15 -0.54 -0.09 0.00 0.01 0.00 0.00 42.46 41.68 3i3d s ILE 534 CO -0.02 -0.14 1.61 -0.76 0.00 0.00 0.00 174.94 175.63 3i3d s LEU 535 N 2.10 4.37 0.46 2.97 1.02 -0.92 -3.98 118.68 124.71 3i3d s LEU 535 Ca 0.02 2.54 0.26 0.00 0.02 0.00 0.00 54.13 56.98 3i3d s LEU 535 Cb -0.15 -3.58 0.80 0.00 0.02 0.00 0.00 46.19 43.28 3i3d s LEU 535 CO -0.07 -0.85 1.77 0.00 0.02 0.00 0.00 176.35 177.21 3i3d s GLU 537 N -3.44 0.47 0.18 0.00 2.02 -1.24 -4.33 118.70 112.37 3i3d s GLU 537 Ca 0.03 0.89 -0.21 0.00 0.02 0.00 0.00 54.97 55.70 3i3d s GLU 537 Cb 0.08 0.02 0.05 0.00 0.10 0.00 0.00 34.13 34.39 3i3d s GLU 537 CO 0.63 -0.15 0.59 1.52 0.02 0.00 0.00 175.26 177.87 3i3d s TYR 538 N 1.42 -0.40 -0.90 1.61 -0.85 -0.73 0.09 117.35 117.58 3i3d s TYR 538 Ca -0.09 0.13 -0.04 0.00 -0.52 0.00 0.00 57.07 56.54 3i3d s TYR 538 Cb -0.07 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 3i3d s TYR 538 CO -0.14 -0.91 0.79 0.00 -1.52 0.00 0.00 175.55 173.77 3i3d n ALA 539 N -0.38 -2.52 -1.56 9.51 0.00 -1.26 -1.61 120.51 122.70 3i3d n ALA 539 Ca -0.14 0.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 3i3d n ALA 539 Cb 0.64 -3.37 -0.04 0.00 0.00 0.00 0.00 19.45 16.68 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 -2.60 1.80 -0.66 0.00 -0.00 -0.47 -3.84 115.22 109.44 3i3d n HIS 540 Ca -0.05 -0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.01 3i3d n HIS 540 Cb 0.56 -2.67 0.03 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 11.75 4.65 -2.14 1.57 0.00 0.30 -4.40 120.51 132.24 3i3d n ALA 541 Ca 0.34 -1.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.20 3i3d n ALA 541 Cb 0.40 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 3i3d n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3d s ALA 542 N -1.27 3.16 0.00 0.00 0.00 -1.26 -4.04 121.76 118.35 3i3d s ALA 542 Ca 0.22 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3i3d s ALA 542 Cb 0.17 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3i3d s ALA 542 CO 0.00 -2.14 0.00 0.41 0.00 0.00 0.00 175.76 174.03 3i3d n GLY 543 N 4.86 2.52 3.56 0.00 0.00 -1.26 -4.10 105.19 110.78 3i3d n GLY 543 Ca 0.19 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3i3d n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3d s ASN 544 N -4.00 5.13 0.00 1.61 3.84 -1.26 -4.84 114.94 115.42 3i3d s ASN 544 Ca 0.00 -0.61 0.00 0.00 0.21 0.00 0.00 52.86 52.46 3i3d s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3i3d s ASN 544 CO 0.00 -2.74 0.00 -0.24 -2.79 0.00 0.00 177.10 171.33 3i3d n SER 545 N 13.99 0.02 -0.09 -4.21 2.88 -1.26 -4.78 113.62 120.17 3i3d n SER 545 Ca 0.39 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.92 3i3d n SER 545 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 3i3d n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3i3d n LEU 546 N 0.00 -0.11 -4.73 2.46 7.94 -1.19 -4.77 117.00 116.59 3i3d n LEU 546 Ca 0.00 0.03 -0.42 0.00 -1.11 0.00 0.00 56.01 54.51 3i3d n LEU 546 Cb 0.00 -0.64 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 3i3d n LEU 546 CO 0.00 -0.06 1.04 -0.83 -1.11 0.00 0.00 177.39 176.43 3i3d s GLY 547 N -2.99 2.23 0.00 -3.96 0.00 0.24 -2.26 107.32 100.57 3i3d s GLY 547 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.87 3i3d s GLY 547 CO 0.00 2.22 0.00 0.61 0.00 0.00 0.00 173.10 175.93 3i3d n GLY 548 N 2.80 0.57 0.32 0.20 0.00 0.16 -4.06 105.19 105.18 3i3d n GLY 548 Ca 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.88 0.00 1.61 3.57 -1.64 -2.45 116.94 118.91 3i3d h PHE 549 Ca 0.00 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 3i3d h PHE 549 Cb 0.00 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 3i3d h PHE 549 CO 0.00 0.67 -0.10 0.00 -2.23 0.00 0.00 178.31 176.65 3i3d h ALA 550 N 1.41 1.51 -0.30 2.41 0.00 -1.87 -2.11 119.26 120.32 3i3d h ALA 550 Ca 0.21 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3i3d h ALA 550 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i3d h ALA 550 CO -0.02 0.13 -0.22 -0.22 0.00 0.00 0.00 179.25 178.92 3i3d h LYS 551 N 0.00 0.56 -0.16 0.00 3.64 -1.84 -1.85 116.57 116.91 3i3d h LYS 551 Ca -0.00 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3i3d h LYS 551 Cb 0.23 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3i3d h LYS 551 CO 0.01 0.74 -0.02 1.88 -2.27 0.00 0.00 179.45 179.79 3i3d h TYR 552 N 0.50 0.34 -0.08 1.91 -1.99 -1.45 -2.83 116.97 113.36 3i3d h TYR 552 Ca 0.08 -0.07 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 3i3d h TYR 552 Cb 0.65 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 3i3d h TYR 552 CO 0.02 0.55 -0.29 -1.49 -0.00 0.00 0.00 178.16 176.95 3i3d h TRP 553 N 0.03 0.17 -0.40 4.88 4.06 -1.44 0.36 115.95 123.61 3i3d h TRP 553 Ca 0.04 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 3i3d h TRP 553 Cb 0.43 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 3i3d h TRP 553 CO 0.04 0.44 0.04 0.37 -3.56 0.00 0.00 178.44 175.77 3i3d h GLN 554 N 0.14 0.69 -0.24 0.49 4.15 -1.34 -1.71 115.11 117.29 3i3d h GLN 554 Ca 0.02 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 3i3d h GLN 554 Cb 0.59 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3i3d h GLN 554 CO 0.04 0.75 0.10 0.00 -1.93 0.00 0.00 178.83 177.80 3i3d h ALA 555 N 0.91 0.31 -0.94 3.38 0.00 -1.18 -1.87 119.26 119.87 3i3d h ALA 555 Ca 0.12 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3i3d h ALA 555 Cb 0.42 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 3i3d h ALA 555 CO 0.01 -0.10 0.58 0.74 0.00 0.00 0.00 179.25 180.48 3i3d h PHE 556 N 0.25 1.04 -0.01 0.00 0.04 -0.79 -1.59 116.94 115.87 3i3d h PHE 556 Ca 0.08 0.03 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 3i3d h PHE 556 Cb 0.16 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 3i3d h PHE 556 CO -0.01 0.42 -0.81 0.00 -0.60 0.00 0.00 178.31 177.30 3i3d h ARG 557 N 0.93 0.21 0.08 1.51 3.08 -1.03 -3.31 114.38 115.84 3i3d h ARG 557 Ca 0.46 -0.21 -0.25 0.00 0.07 0.00 0.00 59.98 60.06 3i3d h ARG 557 Cb 0.45 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3i3d h ARG 557 CO -0.26 0.91 -1.13 0.37 -1.07 0.00 0.00 179.97 178.80 3i3d h GLN 558 N 0.13 0.22 -4.73 0.04 4.15 -0.95 -3.44 115.11 110.54 3i3d h GLN 558 Ca -0.04 -0.34 -0.69 0.00 0.77 0.00 0.00 58.65 58.35 3i3d h GLN 558 Cb 1.41 0.12 -0.19 0.00 0.21 0.00 0.00 27.48 29.04 3i3d h GLN 558 CO 0.12 1.14 -0.38 0.71 -1.93 0.00 0.00 178.83 178.49 3i3d s TYR 559 N -2.78 3.22 0.18 3.99 1.51 -0.63 -4.99 117.35 117.84 3i3d s TYR 559 Ca -0.03 -0.31 -0.15 0.00 -1.01 0.00 0.00 57.07 55.57 3i3d s TYR 559 Cb 0.08 -2.62 0.17 0.00 -0.11 0.00 0.00 41.96 39.48 3i3d s TYR 559 CO 0.86 -0.50 1.67 -1.35 -1.11 0.00 0.00 175.55 175.13 3i3d h PRO 560 N 8.56 0.07 0.00 -1.71 0.11 -1.85 -1.70 132.00 135.48 3i3d h PRO 560 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i3d h PRO 560 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i3d h PRO 560 CO 0.70 0.05 0.00 0.54 -0.21 0.00 0.00 178.00 179.08 3i3d n ARG 561 N -5.27 0.33 -3.11 1.05 1.74 -1.26 -4.30 116.66 105.84 3i3d n ARG 561 Ca 0.05 0.08 -0.45 0.00 -0.77 0.00 0.00 57.85 56.76 3i3d n ARG 561 Cb 0.26 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.15 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 -2.51 5.38 -0.47 0.55 1.43 -0.64 -0.84 118.68 121.58 3i3d s LEU 562 Ca 0.21 -1.42 0.04 0.00 -1.03 0.00 0.00 54.13 51.92 3i3d s LEU 562 Cb 0.14 -2.31 0.57 0.00 0.03 0.00 0.00 46.19 44.62 3i3d s LEU 562 CO 0.30 -1.11 1.82 0.00 0.23 0.00 0.00 176.35 177.60 3i3d n GLN 563 N 6.32 2.35 0.00 1.70 6.02 -0.56 -4.62 117.38 128.60 3i3d n GLN 563 Ca -0.09 -3.18 0.00 0.00 -0.01 0.00 0.00 57.00 53.71 3i3d n GLN 563 Cb 0.42 -2.14 0.00 0.00 1.02 0.00 0.00 30.24 29.54 3i3d n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3d n GLY 564 N -1.06 -0.05 0.00 1.08 0.00 -1.26 -0.39 105.19 103.51 3i3d n GLY 564 Ca 0.55 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.60 3.20 -0.02 0.00 -0.96 -2.16 105.19 103.66 3i3d n GLY 565 Ca 0.00 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.21 3.01 0.60 1.61 0.40 -0.15 -1.73 117.98 119.51 3i3d s PHE 566 Ca 0.00 -1.49 -0.20 0.00 -0.60 0.00 0.00 56.93 54.65 3i3d s PHE 566 Cb 0.00 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 3i3d s PHE 566 CO 0.00 -0.72 1.33 0.08 0.70 0.00 0.00 175.22 176.61 3i3d s VAL 567 N 1.34 2.02 -0.32 -0.44 1.01 -0.37 -1.78 120.40 121.86 3i3d s VAL 567 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3i3d s VAL 567 Cb -0.16 -3.01 0.08 0.00 0.00 0.00 0.00 36.38 33.29 3i3d s VAL 567 CO -0.06 -0.00 0.02 0.86 0.00 0.00 0.00 175.10 175.92 3i3d s TRP 568 N -1.34 3.47 0.00 5.22 -0.11 -0.63 -0.65 118.94 124.89 3i3d s TRP 568 Ca 0.78 -2.42 0.00 0.00 1.22 0.00 0.00 56.10 55.68 3i3d s TRP 568 Cb -0.39 -2.49 0.00 0.00 -1.50 0.00 0.00 33.47 29.09 3i3d s TRP 568 CO 0.44 -0.90 0.00 -0.40 -4.62 0.00 0.00 176.95 171.47 3i3d n ASP 569 N 4.46 0.00 0.16 5.86 5.75 0.54 -0.54 116.55 132.78 3i3d n ASP 569 Ca -0.07 -0.39 -0.11 0.00 -0.01 0.00 0.00 54.79 54.22 3i3d n ASP 569 Cb 0.42 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 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 0.39 -0.43 -4.13 2.11 2.91 -0.96 -1.49 115.95 114.36 3i3d h TRP 570 Ca 0.00 -0.01 -0.45 0.00 1.13 0.00 0.00 58.89 59.56 3i3d h TRP 570 Cb 0.00 0.14 -0.29 0.00 -0.51 0.00 0.00 29.16 28.50 3i3d h TRP 570 CO 0.00 -0.11 -0.80 0.54 -1.03 0.00 0.00 178.44 177.04 3i3d s VAL 571 N -3.80 0.96 0.26 2.65 0.11 -1.26 -1.14 120.40 118.19 3i3d s VAL 571 Ca -0.11 -0.52 -0.31 0.00 -2.93 0.00 0.00 61.98 58.11 3i3d s VAL 571 Cb 0.01 -0.80 -0.12 0.00 -1.53 0.00 0.00 36.38 33.93 3i3d s VAL 571 CO 0.40 0.27 1.52 0.47 -3.33 0.00 0.00 175.10 174.44 3i3d n ASP 572 N 2.81 3.39 -3.19 3.54 8.00 -0.85 -4.35 116.55 125.89 3i3d n ASP 572 Ca -0.14 1.14 -0.37 0.00 0.71 0.00 0.00 54.79 56.13 3i3d n ASP 572 Cb 0.56 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.12 40.12 3i3d n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3d n GLN 573 N 2.21 3.99 -3.70 -1.24 6.02 -0.15 -4.04 117.38 120.47 3i3d n GLN 573 Ca 0.10 -3.34 -0.32 0.00 -0.01 0.00 0.00 57.00 53.43 3i3d n GLN 573 Cb 0.34 -2.45 -0.05 0.00 1.02 0.00 0.00 30.24 29.11 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 0.00 6.50 0.14 1.08 1.04 -1.26 -4.75 113.70 116.45 3i3d s SER 574 Ca 0.53 0.58 0.08 0.00 0.48 0.00 0.00 55.95 57.62 3i3d s SER 574 Cb 0.26 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 3i3d s SER 574 CO -0.16 0.12 -0.10 -0.76 0.98 0.00 0.00 173.24 173.32 3i3d s LEU 575 N -2.37 3.00 -0.05 2.42 1.43 -0.07 -4.29 118.68 118.74 3i3d s LEU 575 Ca 0.37 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 3i3d s LEU 575 Cb -0.13 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3i3d s LEU 575 CO 0.22 0.14 0.65 -0.63 0.23 0.00 0.00 176.35 176.97 3i3d s ILE 576 N -1.42 5.01 0.20 -0.59 1.01 -0.90 0.87 121.20 125.38 3i3d s ILE 576 Ca 0.23 1.34 0.05 0.00 0.00 0.00 0.00 60.65 62.27 3i3d s ILE 576 Cb -0.10 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 3i3d s ILE 576 CO 0.14 0.31 -0.07 -0.54 0.00 0.00 0.00 174.94 174.78 3i3d s LYS 577 N 0.48 1.26 0.01 2.79 1.02 -0.46 -4.94 119.74 119.91 3i3d s LYS 577 Ca 0.34 -1.59 0.07 0.00 0.02 0.00 0.00 55.97 54.82 3i3d s LYS 577 Cb -0.18 -0.79 -0.02 0.00 -0.52 0.00 0.00 37.83 36.32 3i3d s LYS 577 CO 0.17 0.04 -0.23 0.71 -0.92 0.00 0.00 175.35 175.12 3i3d s TYR 578 N -3.24 2.02 0.84 3.18 1.51 -1.26 -0.35 117.35 120.04 3i3d s TYR 578 Ca 0.23 -0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 55.82 3i3d s TYR 578 Cb 0.03 -1.26 0.16 0.00 -0.11 0.00 0.00 41.96 40.78 3i3d s TYR 578 CO 0.06 0.03 1.16 0.16 -1.11 0.00 0.00 175.55 175.84 3i3d s ASP 579 N -0.81 3.74 0.55 2.29 1.47 -0.04 -4.86 116.67 119.01 3i3d s ASP 579 Ca 0.09 -0.04 0.29 0.00 1.18 0.00 0.00 52.55 54.06 3i3d s ASP 579 Cb -0.09 -0.17 1.45 0.00 -0.34 0.00 0.00 42.92 43.78 3i3d s ASP 579 CO 0.00 -2.30 1.94 -0.33 0.68 0.00 0.00 175.17 175.16 3i3d h GLU 580 N -1.08 0.00 -0.21 2.11 5.08 -2.01 0.45 114.58 118.92 3i3d h GLU 580 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3i3d h GLU 580 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3i3d h GLU 580 CO 0.39 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.49 3i3d n ASN 581 N -4.20 1.22 0.00 1.42 3.02 -1.26 -4.88 115.26 110.58 3i3d n ASN 581 Ca 0.13 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 3i3d n ASN 581 Cb 0.76 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 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 0.89 0.53 3.73 7.41 0.00 0.16 -4.99 105.19 112.93 3i3d n GLY 582 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3i3d n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3d s ASN 583 N -2.39 7.29 0.22 1.61 0.02 -1.26 -4.71 114.94 115.73 3i3d s ASN 583 Ca 0.00 2.02 -0.23 0.00 -1.02 0.00 0.00 52.86 53.63 3i3d s ASN 583 Cb 0.00 -2.60 -0.08 0.00 0.02 0.00 0.00 41.25 38.59 3i3d s ASN 583 CO 0.00 -0.22 0.79 -2.16 0.02 0.00 0.00 177.10 175.53 3i3d s PRO 584 N -0.14 4.45 0.01 -0.60 0.04 -1.26 -0.86 135.00 136.64 3i3d s PRO 584 Ca 0.50 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 3i3d s PRO 584 Cb -0.28 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 3i3d s PRO 584 CO 0.33 0.44 0.08 1.67 0.04 0.00 0.00 177.00 179.56 3i3d s TRP 585 N -1.40 0.14 -0.08 0.56 1.48 0.52 -4.97 118.94 115.19 3i3d s TRP 585 Ca 0.42 -0.32 -0.30 0.00 -1.06 0.00 0.00 56.10 54.84 3i3d s TRP 585 Cb -0.20 -0.11 -0.02 0.00 -1.16 0.00 0.00 33.47 31.99 3i3d s TRP 585 CO 0.24 -0.27 1.03 -1.12 -4.06 0.00 0.00 176.95 172.76 3i3d s SER 586 N -1.55 7.24 0.26 -2.66 0.01 -1.26 -1.35 113.70 114.39 3i3d s SER 586 Ca -0.13 1.59 0.10 0.00 1.31 0.00 0.00 55.95 58.82 3i3d s SER 586 Cb -0.07 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 3i3d s SER 586 CO -0.00 -0.44 -0.05 0.00 0.41 0.00 0.00 173.24 173.16 3i3d s ALA 587 N 1.87 3.06 0.00 1.44 0.00 0.25 -4.91 121.76 123.48 3i3d s ALA 587 Ca 0.50 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.77 3i3d s ALA 587 Cb -0.20 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.26 3i3d s ALA 587 CO 0.20 0.28 0.00 2.48 0.00 0.00 0.00 175.76 178.72 3i3d n TYR 588 N -0.78 0.00 -1.58 0.00 0.18 -1.26 -0.89 117.16 112.82 3i3d n TYR 588 Ca -0.06 0.00 -0.53 0.00 1.88 0.00 0.00 57.90 59.19 3i3d n TYR 588 Cb 0.59 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.49 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 0.48 0.35 1.56 -7.48 0.00 0.22 -1.73 105.19 98.59 3i3d n GLY 589 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 2.37 2.42 0.00 -0.02 0.00 -1.26 -4.04 105.19 104.67 3i3d n GLY 590 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3i3d n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3d n ASP 591 N 0.00 0.00 -0.38 1.61 8.00 -0.70 -2.69 116.55 122.39 3i3d n ASP 591 Ca 0.00 -0.26 0.09 0.00 0.71 0.00 0.00 54.79 55.32 3i3d n ASP 591 Cb 0.00 -0.19 0.17 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 -1.19 0.35 -0.68 1.24 3.01 -1.26 -4.92 117.46 114.01 3i3d n PHE 592 Ca 0.13 -0.91 0.00 0.00 1.01 0.00 0.00 57.45 57.68 3i3d n PHE 592 Cb 0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 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 -0.98 1.30 3.67 1.37 0.00 -1.09 -4.84 105.19 104.61 3i3d n GLY 593 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.07 6.57 -0.17 1.61 -4.77 -1.26 -4.97 116.67 110.60 3i3d s ASP 594 Ca 0.00 2.45 -0.18 0.00 -3.30 0.00 0.00 52.55 51.52 3i3d s ASP 594 Cb 0.00 -2.54 0.05 0.00 -1.09 0.00 0.00 42.92 39.34 3i3d s ASP 594 CO 0.00 -0.97 0.51 0.28 0.70 0.00 0.00 175.17 175.69 3i3d s THR 595 N 3.91 0.00 0.86 2.11 -1.32 -1.26 -4.04 115.64 115.90 3i3d s THR 595 Ca 0.79 -0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 61.13 3i3d s THR 595 Cb -0.38 -0.73 0.11 0.00 -1.51 0.00 0.00 72.50 69.99 3i3d s THR 595 CO 0.34 -0.02 1.09 -2.16 -2.21 0.00 0.00 174.62 171.67 3i3d s PRO 596 N 0.07 1.56 0.19 7.08 0.04 -1.26 -5.16 135.00 137.53 3i3d s PRO 596 Ca -0.02 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 61.94 3i3d s PRO 596 Cb -0.03 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 3i3d s PRO 596 CO 0.02 -2.09 0.34 0.54 0.04 0.00 0.00 177.00 175.85 3i3d s ASN 597 N -3.32 -0.01 -0.34 6.66 2.20 -1.26 -4.76 114.94 114.10 3i3d s ASN 597 Ca 0.63 -0.90 0.07 0.00 -0.94 0.00 0.00 52.86 51.72 3i3d s ASN 597 Cb -0.18 0.48 0.51 0.00 -2.00 0.00 0.00 41.25 40.06 3i3d s ASN 597 CO 0.57 -0.97 1.51 0.47 -2.94 0.00 0.00 177.10 175.74 3i3d n ASP 598 N -0.28 3.38 0.00 3.54 8.00 -0.66 -4.96 116.55 125.58 3i3d n ASP 598 Ca -0.05 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.67 3i3d n ASP 598 Cb 0.63 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3i3d n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3i3d n ARG 599 N -1.05 0.00 0.00 -1.24 1.85 -1.26 -1.81 116.66 113.15 3i3d n ARG 599 Ca 0.40 0.00 0.15 0.00 -1.00 0.00 0.00 57.85 57.40 3i3d n ARG 599 Cb 1.03 0.00 0.85 0.00 -1.05 0.00 0.00 32.46 33.30 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 4.97 0.83 0.00 2.89 0.00 -1.26 -0.61 117.38 124.20 3i3d n GLN 600 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 57.00 56.99 3i3d n GLN 600 Cb 0.00 -1.50 0.25 0.00 0.00 0.00 0.00 30.24 28.99 3i3d n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3i3d n PHE 601 N -1.04 0.00 1.44 2.61 3.01 -0.75 -1.28 117.46 121.46 3i3d n PHE 601 Ca 0.20 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.80 3i3d n PHE 601 Cb 0.17 -0.05 0.49 0.00 -0.01 0.00 0.00 39.48 40.08 3i3d n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i3d s MET 603 N -2.09 1.69 0.00 0.00 -1.94 -0.40 -0.98 119.30 115.58 3i3d s MET 603 Ca 0.35 -1.86 0.20 0.00 -1.71 0.00 0.00 55.69 52.67 3i3d s MET 603 Cb 0.21 -3.36 0.33 0.00 2.01 0.00 0.00 34.83 34.01 3i3d s MET 603 CO 0.37 -0.99 1.13 0.09 -0.01 0.00 0.00 175.02 175.60 3i3d n ASN 604 N 4.39 0.74 -4.92 3.03 4.13 -1.26 -4.13 115.26 117.23 3i3d n ASN 604 Ca 0.01 -1.99 -0.26 0.00 1.68 0.00 0.00 54.58 54.02 3i3d n ASN 604 Cb 0.42 -0.26 0.01 0.00 -1.54 0.00 0.00 39.78 38.40 3i3d n ASN 604 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3i3d s GLY 605 N -1.75 1.51 0.43 7.41 0.00 -1.26 -0.34 107.32 113.33 3i3d s GLY 605 Ca 0.26 -0.69 0.23 0.00 0.00 0.00 0.00 44.72 44.52 3i3d s GLY 605 CO -0.13 -0.51 1.62 1.41 0.00 0.00 0.00 173.10 175.49 3i3d h LEU 606 N 0.23 0.00 -8.62 0.66 3.38 -0.01 -3.44 115.31 107.52 3i3d h LEU 606 Ca -0.47 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.04 3i3d h LEU 606 Cb 1.23 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.78 3i3d h LEU 606 CO 0.61 0.04 -0.78 0.68 0.09 0.00 0.00 178.44 179.08 3i3d s VAL 607 N -3.22 1.45 0.92 1.22 -7.23 -0.82 -0.38 120.40 112.34 3i3d s VAL 607 Ca 0.06 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 3i3d s VAL 607 Cb 0.05 -1.50 0.14 0.00 0.56 0.00 0.00 36.38 35.64 3i3d s VAL 607 CO 0.67 -0.29 1.09 -0.36 -0.31 0.00 0.00 175.10 175.90 3i3d s PHE 608 N -1.77 2.24 0.51 2.82 0.40 0.34 -2.01 117.98 120.51 3i3d s PHE 608 Ca 0.07 1.21 0.25 0.00 -0.60 0.00 0.00 56.93 57.86 3i3d s PHE 608 Cb -0.07 -3.18 1.35 0.00 0.51 0.00 0.00 43.02 41.62 3i3d s PHE 608 CO 0.04 -2.53 1.93 0.00 0.70 0.00 0.00 175.22 175.36 3i3d h ALA 609 N -1.65 2.54 -0.31 5.36 0.00 -1.88 0.46 119.26 123.79 3i3d h ALA 609 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3i3d h ALA 609 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3i3d h ALA 609 CO 0.55 -0.75 0.00 -0.40 0.00 0.00 0.00 179.25 178.65 3i3d n ASP 610 N -4.37 3.12 -0.30 0.00 5.75 -1.26 -4.50 116.55 114.99 3i3d n ASP 610 Ca 0.14 -2.37 -0.04 0.00 -0.01 0.00 0.00 54.79 52.51 3i3d n ASP 610 Cb 0.73 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.38 -0.98 -2.48 0.11 3.00 0.16 -5.00 116.66 111.85 3i3d n ARG 611 Ca 0.14 0.48 -0.41 0.00 -0.01 0.00 0.00 57.85 58.05 3i3d n ARG 611 Cb 0.65 -4.35 -0.04 0.00 0.00 0.00 0.00 32.46 28.71 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 -1.79 3.85 0.32 0.55 2.01 -1.25 -4.70 115.64 114.63 3i3d s THR 612 Ca 0.00 1.56 -0.29 0.00 0.31 0.00 0.00 61.69 63.27 3i3d s THR 612 Cb 0.00 -3.99 -0.10 0.00 0.01 0.00 0.00 72.50 68.42 3i3d s THR 612 CO 0.00 0.25 1.27 -2.84 -0.69 0.00 0.00 174.62 172.61 3i3d s PRO 613 N -0.17 4.41 0.44 4.92 0.02 -1.26 0.13 135.00 143.48 3i3d s PRO 613 Ca 0.51 2.13 -0.09 0.00 0.02 0.00 0.00 61.00 63.57 3i3d s PRO 613 Cb -0.30 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 3i3d s PRO 613 CO 0.34 -0.12 0.79 -1.01 -0.33 0.00 0.00 177.00 176.68 3i3d s HIS 614 N -1.08 3.51 0.43 6.54 3.76 0.49 -4.79 115.29 124.15 3i3d s HIS 614 Ca 0.48 0.98 0.15 0.00 -0.15 0.00 0.00 55.06 56.52 3i3d s HIS 614 Cb -0.38 -2.41 1.04 0.00 1.11 0.00 0.00 32.58 31.94 3i3d s HIS 614 CO 0.50 -0.19 1.94 -1.35 -0.85 0.00 0.00 174.74 174.78 3i3d h PRO 615 N 0.83 0.41 -0.16 8.40 0.11 -1.93 -1.72 132.00 137.95 3i3d h PRO 615 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3i3d h PRO 615 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3i3d h PRO 615 CO 0.63 0.27 0.15 0.00 -0.21 0.00 0.00 178.00 178.84 3i3d h ALA 616 N 1.66 1.89 -0.94 -0.75 0.00 -1.86 -2.71 119.26 116.55 3i3d h ALA 616 Ca 0.34 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.34 3i3d h ALA 616 Cb 0.75 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 3i3d h ALA 616 CO -0.11 -0.23 0.58 1.25 0.00 0.00 0.00 179.25 180.75 3i3d h LEU 617 N 0.00 0.88 -1.25 0.00 5.85 -1.49 -1.61 115.31 117.68 3i3d h LEU 617 Ca 0.08 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3i3d h LEU 617 Cb 0.37 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3i3d h LEU 617 CO -0.00 0.52 -0.35 0.00 -0.34 0.00 0.00 178.44 178.27 3i3d h THR 618 N 0.99 1.26 -0.47 1.05 1.03 -1.68 -1.22 112.91 113.88 3i3d h THR 618 Ca 0.44 -1.24 -0.12 0.00 -0.01 0.00 0.00 66.41 65.48 3i3d h THR 618 Cb 0.32 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 69.02 3i3d h THR 618 CO -0.22 0.36 -0.19 -0.08 -0.01 0.00 0.00 175.52 175.38 3i3d h GLU 619 N 0.04 0.95 -0.40 0.00 4.57 -1.44 -1.67 114.58 116.63 3i3d h GLU 619 Ca 0.00 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 57.74 3i3d h GLU 619 Cb 0.64 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 3i3d h GLU 619 CO 0.05 1.07 0.09 0.00 -1.18 0.00 0.00 179.01 179.03 3i3d h ALA 620 N 0.86 0.53 -0.49 2.92 0.00 -1.01 -1.71 119.26 120.36 3i3d h ALA 620 Ca 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3i3d h ALA 620 Cb 0.76 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3i3d h ALA 620 CO 0.06 0.22 0.24 -0.22 0.00 0.00 0.00 179.25 179.55 3i3d h LYS 621 N 0.51 0.46 -0.27 0.00 3.64 -1.09 -0.90 116.57 118.92 3i3d h LYS 621 Ca 0.13 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3i3d h LYS 621 Cb 0.33 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3i3d h LYS 621 CO 0.00 0.30 0.07 1.25 -2.27 0.00 0.00 179.45 178.81 3i3d h HIS 622 N 0.47 0.45 0.00 1.91 2.76 -1.12 -2.71 115.15 116.91 3i3d h HIS 622 Ca 0.22 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3i3d h HIS 622 Cb 0.13 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 3i3d h HIS 622 CO -0.11 0.50 -0.06 1.96 -1.30 0.00 0.00 177.93 178.92 3i3d h GLN 623 N 0.27 0.00 -0.50 5.26 1.08 -1.18 -2.93 115.11 117.12 3i3d h GLN 623 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3i3d h GLN 623 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3i3d h GLN 623 CO -0.00 0.06 0.00 1.04 -0.95 0.00 0.00 178.83 178.98 3i3d n GLN 624 N -3.15 2.22 -1.39 1.46 6.02 -0.36 -4.96 117.38 117.22 3i3d n GLN 624 Ca 0.01 -1.89 -0.36 0.00 -0.01 0.00 0.00 57.00 54.75 3i3d n GLN 624 Cb 0.39 -1.42 0.07 0.00 1.02 0.00 0.00 30.24 30.30 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 1.04 0.53 -0.06 -1.09 6.02 -1.04 -4.86 117.38 117.92 3i3d n GLN 625 Ca 0.18 0.23 0.12 0.00 -0.01 0.00 0.00 57.00 57.51 3i3d n GLN 625 Cb 0.45 -2.07 0.15 0.00 1.02 0.00 0.00 30.24 29.80 3i3d n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3i3d n PHE 626 N -2.26 0.16 -4.87 1.08 3.01 -1.26 -4.87 117.46 108.44 3i3d n PHE 626 Ca 0.12 -0.08 -0.27 0.00 1.01 0.00 0.00 57.45 58.24 3i3d n PHE 626 Cb 0.49 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.80 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 -1.84 1.78 0.09 1.38 0.40 -1.26 0.22 117.98 118.76 3i3d s PHE 627 Ca 0.32 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 3i3d s PHE 627 Cb 0.21 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 3i3d s PHE 627 CO 0.31 -0.18 -0.12 -0.65 0.70 0.00 0.00 175.22 175.28 3i3d s GLN 628 N 0.04 2.08 0.09 0.44 -1.52 0.51 -4.94 119.66 116.36 3i3d s GLN 628 Ca -0.04 -1.03 0.05 0.00 -1.95 0.00 0.00 55.36 52.39 3i3d s GLN 628 Cb -0.12 -2.27 -0.03 0.00 -0.22 0.00 0.00 33.01 30.37 3i3d s GLN 628 CO 0.02 0.51 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.38 3i3d s PHE 629 N -1.16 1.27 0.01 0.91 0.40 -1.26 -0.64 117.98 117.50 3i3d s PHE 629 Ca 0.20 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 56.02 3i3d s PHE 629 Cb -0.11 -0.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.72 3i3d s PHE 629 CO 0.12 0.08 -0.01 1.03 0.70 0.00 0.00 175.22 177.14 3i3d s ARG 630 N -2.14 0.18 -0.04 0.44 0.52 -0.85 -4.98 118.95 112.08 3i3d s ARG 630 Ca 0.02 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 3i3d s ARG 630 Cb -0.08 0.07 -0.01 0.00 0.52 0.00 0.00 34.95 35.45 3i3d s ARG 630 CO 0.02 -0.03 -0.22 -1.17 0.02 0.00 0.00 175.30 173.92 3i3d s LEU 631 N -0.83 2.02 -0.22 2.53 2.96 -1.26 -1.00 118.68 122.87 3i3d s LEU 631 Ca -0.09 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3i3d s LEU 631 Cb -0.06 -1.19 0.12 0.00 0.50 0.00 0.00 46.19 45.57 3i3d s LEU 631 CO -0.01 0.23 0.36 -0.55 -1.32 0.00 0.00 176.35 175.06 3i3d s SER 632 N -0.25 0.31 1.61 3.68 0.15 -0.68 -5.02 113.70 113.50 3i3d s SER 632 Ca 0.01 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.97 3i3d s SER 632 Cb -0.11 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 3i3d s SER 632 CO 0.02 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.78 3i3d n GLY 633 N 5.36 3.35 0.96 9.45 0.00 -1.26 -1.15 105.19 121.90 3i3d n GLY 633 Ca -0.05 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3i3d n GLY 633 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3d n GLN 634 N 13.23 3.00 -3.95 1.61 1.13 -1.26 -4.97 117.38 126.18 3i3d n GLN 634 Ca 0.00 -2.41 -0.35 0.00 -1.94 0.00 0.00 57.00 52.29 3i3d n GLN 634 Cb 0.00 -1.51 -0.11 0.00 0.11 0.00 0.00 30.24 28.73 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 -1.40 4.61 -0.22 5.09 2.01 -0.30 0.13 115.64 125.56 3i3d s THR 635 Ca 0.35 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 3i3d s THR 635 Cb 0.21 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 3i3d s THR 635 CO 0.19 0.41 0.05 -0.63 -0.69 0.00 0.00 174.62 173.96 3i3d s ILE 636 N 0.81 4.34 -0.28 1.82 1.01 0.97 -1.68 121.20 128.18 3i3d s ILE 636 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 3i3d s ILE 636 Cb -0.14 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 3i3d s ILE 636 CO 0.02 0.38 0.19 -0.70 0.00 0.00 0.00 174.94 174.83 3i3d s GLU 637 N 1.21 3.93 -0.21 2.79 2.12 -0.17 -0.05 118.70 128.32 3i3d s GLU 637 Ca 0.04 -0.33 -0.07 0.00 0.36 0.00 0.00 54.97 54.97 3i3d s GLU 637 Cb -0.14 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 3i3d s GLU 637 CO 0.03 -0.19 0.06 0.08 -0.54 0.00 0.00 175.26 174.70 3i3d s VAL 638 N 1.75 4.53 -0.11 3.70 1.01 0.72 -2.00 120.40 130.01 3i3d s VAL 638 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3i3d s VAL 638 Cb -0.16 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 3i3d s VAL 638 CO 0.11 0.41 -0.19 -0.89 0.00 0.00 0.00 175.10 174.55 3i3d s THR 639 N 0.84 2.55 -0.02 3.92 2.01 0.18 -0.13 115.64 125.00 3i3d s THR 639 Ca 0.03 -0.85 -0.19 0.00 0.31 0.00 0.00 61.69 60.99 3i3d s THR 639 Cb -0.14 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 3i3d s THR 639 CO 0.02 0.55 0.54 -0.55 -0.69 0.00 0.00 174.62 174.49 3i3d s SER 640 N 0.26 6.90 -0.07 3.53 0.15 -0.30 -0.37 113.70 123.81 3i3d s SER 640 Ca -0.13 1.07 0.16 0.00 0.70 0.00 0.00 55.95 57.75 3i3d s SER 640 Cb -0.16 -2.33 0.55 0.00 -1.71 0.00 0.00 66.02 62.36 3i3d s SER 640 CO 0.07 0.14 1.46 -0.62 1.20 0.00 0.00 173.24 175.49 3i3d n GLU 641 N 2.66 3.18 -2.72 5.44 1.02 0.13 -2.83 120.64 127.52 3i3d n GLU 641 Ca -0.08 -2.58 -0.39 0.00 -0.02 0.00 0.00 57.16 54.09 3i3d n GLU 641 Cb 0.51 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.59 3.79 -0.12 -0.32 1.51 -1.26 -4.86 117.35 114.49 3i3d s TYR 642 Ca 0.40 1.83 0.19 0.00 -1.01 0.00 0.00 57.07 58.48 3i3d s TYR 642 Cb 0.25 -3.00 -0.22 0.00 -0.11 0.00 0.00 41.96 38.88 3i3d s TYR 642 CO 0.21 0.19 0.52 1.28 -1.11 0.00 0.00 175.55 176.64 3i3d n LEU 643 N 1.01 0.38 0.00 -1.29 4.77 -1.26 -1.57 117.00 119.03 3i3d n LEU 643 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3i3d n LEU 643 Cb 0.48 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3i3d n LEU 643 CO 0.48 0.19 -0.47 0.49 -1.33 0.00 0.00 177.39 176.75 3i3d n PHE 644 N -2.67 0.00 -2.80 -1.77 3.01 -1.26 -4.85 117.46 107.12 3i3d n PHE 644 Ca -0.14 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.04 3i3d n PHE 644 Cb 0.84 0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 40.31 3i3d n PHE 644 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3i3d s ARG 645 N -1.96 3.60 0.37 -1.08 1.70 -1.26 -4.76 118.95 115.56 3i3d s ARG 645 Ca 0.00 0.20 -0.01 0.00 -0.47 0.00 0.00 55.73 55.45 3i3d s ARG 645 Cb 0.00 -2.43 -0.03 0.00 -0.57 0.00 0.00 34.95 31.92 3i3d s ARG 645 CO 0.00 -0.10 0.60 -1.58 -1.08 0.00 0.00 175.30 173.13 3i3d s HIS 646 N -2.57 3.51 -1.28 5.89 5.65 -1.26 -3.38 115.29 121.85 3i3d s HIS 646 Ca 0.47 0.44 -0.14 0.00 0.25 0.00 0.00 55.06 56.08 3i3d s HIS 646 Cb -0.10 -1.98 -0.04 0.00 -1.18 0.00 0.00 32.58 29.28 3i3d s HIS 646 CO 0.40 0.04 2.27 -1.13 -0.65 0.00 0.00 174.74 175.68 3i3d n SER 647 N -1.87 4.48 -0.06 9.88 3.41 -0.63 -4.64 113.62 124.19 3i3d n SER 647 Ca -0.04 -2.71 0.10 0.00 -0.26 0.00 0.00 58.87 55.97 3i3d n SER 647 Cb 0.56 -1.46 0.59 0.00 -0.26 0.00 0.00 64.21 63.63 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 5.82 0.19 -2.75 4.04 3.85 -1.26 -3.92 116.55 122.52 3i3d n ASP 648 Ca 0.55 -1.39 -0.09 0.00 -0.71 0.00 0.00 54.79 53.15 3i3d n ASP 648 Cb 0.34 -0.01 0.08 0.00 -1.35 0.00 0.00 41.12 40.18 3i3d n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3i3d n ASN 649 N -0.69 -0.89 -3.82 -1.12 5.15 -1.26 -5.07 115.26 107.56 3i3d n ASN 649 Ca 0.16 -2.82 -0.13 0.00 -0.60 0.00 0.00 54.58 51.18 3i3d n ASN 649 Cb 0.10 0.65 -0.15 0.00 -0.53 0.00 0.00 39.78 39.85 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 -0.88 0.02 -0.05 1.20 8.01 -1.25 -4.21 118.70 121.54 3i3d s GLU 650 Ca 0.25 0.13 0.03 0.00 0.01 0.00 0.00 54.97 55.39 3i3d s GLU 650 Cb 0.39 -0.10 0.01 0.00 -4.31 0.00 0.00 34.13 30.12 3i3d s GLU 650 CO -0.05 -0.08 -0.12 -1.17 0.01 0.00 0.00 175.26 173.85 3i3d s LEU 651 N 0.52 1.74 -0.29 1.80 2.96 0.68 -1.66 118.68 124.43 3i3d s LEU 651 Ca -0.04 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 53.47 3i3d s LEU 651 Cb -0.06 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 3i3d s LEU 651 CO -0.02 0.07 0.24 -0.22 -1.32 0.00 0.00 176.35 175.10 3i3d s LEU 652 N 0.39 4.11 -0.14 -0.68 2.96 0.79 -0.27 118.68 125.84 3i3d s LEU 652 Ca -0.09 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3i3d s LEU 652 Cb -0.13 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3i3d s LEU 652 CO 0.02 -0.11 0.08 -1.00 -1.32 0.00 0.00 176.35 174.02 3i3d s HIS 653 N 1.82 3.37 0.11 5.38 3.76 -0.01 -0.10 115.29 129.62 3i3d s HIS 653 Ca 0.09 0.29 0.08 0.00 -0.15 0.00 0.00 55.06 55.36 3i3d s HIS 653 Cb -0.16 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 3i3d s HIS 653 CO 0.11 0.44 -0.20 1.67 -0.85 0.00 0.00 174.74 175.91 3i3d s TRP 654 N -0.39 1.74 -0.13 1.40 1.48 0.09 -0.98 118.94 122.14 3i3d s TRP 654 Ca 0.10 -0.43 -0.08 0.00 -1.06 0.00 0.00 56.10 54.63 3i3d s TRP 654 Cb -0.12 -0.94 0.05 0.00 -1.16 0.00 0.00 33.47 31.29 3i3d s TRP 654 CO 0.02 0.20 0.32 1.41 -4.06 0.00 0.00 176.95 174.84 3i3d s MET 655 N -1.99 0.32 -0.15 3.25 1.75 0.37 -1.51 119.30 121.33 3i3d s MET 655 Ca 0.07 0.58 -0.01 0.00 -1.25 0.00 0.00 55.69 55.08 3i3d s MET 655 Cb -0.09 0.01 -0.01 0.00 2.84 0.00 0.00 34.83 37.57 3i3d s MET 655 CO 0.04 -0.12 -0.12 0.08 -0.65 0.00 0.00 175.02 174.24 3i3d s VAL 656 N 0.95 2.97 -0.01 10.11 1.01 0.76 -0.35 120.40 135.85 3i3d s VAL 656 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3i3d s VAL 656 Cb -0.07 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 3i3d s VAL 656 CO -0.07 0.51 -0.05 0.00 0.00 0.00 0.00 175.10 175.48 3i3d s ALA 657 N 0.67 0.48 -0.36 5.51 0.00 -0.33 -0.65 121.76 127.09 3i3d s ALA 657 Ca -0.06 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 3i3d s ALA 657 Cb -0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 3i3d s ALA 657 CO 0.02 0.10 0.46 -1.17 0.00 0.00 0.00 175.76 175.18 3i3d s LEU 658 N -0.04 4.44 -1.43 0.00 2.96 0.65 -1.06 118.68 124.18 3i3d s LEU 658 Ca 0.01 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.64 3i3d s LEU 658 Cb -0.03 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.18 3i3d s LEU 658 CO -0.00 -0.46 0.24 0.47 -1.32 0.00 0.00 176.35 175.28 3i3d n ASP 659 N 5.63 -0.74 0.00 3.68 8.00 -1.02 -0.14 116.55 131.96 3i3d n ASP 659 Ca -0.06 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.17 3i3d n ASP 659 Cb 0.49 -1.72 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 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 -2.39 3.12 3.58 0.44 0.00 -1.26 -4.85 105.19 103.82 3i3d n GLY 660 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.36 3.68 0.18 1.61 1.02 0.79 -4.67 119.74 122.00 3i3d s LYS 661 Ca 0.00 0.25 -0.32 0.00 0.02 0.00 0.00 55.97 55.92 3i3d s LYS 661 Cb 0.00 -3.84 -0.11 0.00 -0.52 0.00 0.00 37.83 33.36 3i3d s LYS 661 CO 0.00 -0.93 1.67 -1.25 -0.92 0.00 0.00 175.35 173.91 3i3d s PRO 662 N 3.21 4.16 -0.07 -1.68 0.04 -1.26 -0.26 135.00 139.15 3i3d s PRO 662 Ca 0.32 2.51 0.04 0.00 0.04 0.00 0.00 61.00 63.91 3i3d s PRO 662 Cb -0.13 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.20 3i3d s PRO 662 CO 0.19 -0.70 -0.00 1.28 0.04 0.00 0.00 177.00 177.80 3i3d n LEU 663 N 4.10 0.73 -3.49 -3.56 4.32 0.18 -4.90 117.00 114.38 3i3d n LEU 663 Ca 0.15 -0.01 -0.16 0.00 -0.02 0.00 0.00 56.01 55.97 3i3d n LEU 663 Cb 0.37 0.05 -0.05 0.00 -1.62 0.00 0.00 43.42 42.17 3i3d n LEU 663 CO 0.63 0.27 0.42 0.00 -1.22 0.00 0.00 177.39 177.50 3i3d s ALA 664 N -2.15 -1.70 -0.02 -1.18 0.00 -1.05 -4.99 121.76 110.66 3i3d s ALA 664 Ca -0.05 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 3i3d s ALA 664 Cb 0.02 0.28 0.10 0.00 0.00 0.00 0.00 23.12 23.52 3i3d s ALA 664 CO 0.24 -0.49 0.87 -1.54 0.00 0.00 0.00 175.76 174.84 3i3d s SER 665 N -1.68 -0.40 0.06 0.00 1.04 -1.26 -0.17 113.70 111.30 3i3d s SER 665 Ca -0.07 0.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 3i3d s SER 665 Cb -0.00 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.53 3i3d s SER 665 CO 0.03 -0.59 0.26 0.61 0.98 0.00 0.00 173.24 174.52 3i3d n GLY 666 N 0.00 1.28 3.20 7.32 0.00 -0.57 -5.00 105.19 111.42 3i3d n GLY 666 Ca -0.10 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 3i3d n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i3d s GLU 667 N -2.02 0.58 -0.06 1.61 -1.05 -1.26 -0.73 118.70 115.77 3i3d s GLU 667 Ca 0.06 -0.18 -0.03 0.00 -0.15 0.00 0.00 54.97 54.66 3i3d s GLU 667 Cb -0.01 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.97 3i3d s GLU 667 CO 0.02 -0.15 0.15 0.08 0.95 0.00 0.00 175.26 176.31 3i3d s VAL 668 N -1.18 -0.03 0.45 1.83 1.01 0.86 -4.97 120.40 118.37 3i3d s VAL 668 Ca -0.12 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 3i3d s VAL 668 Cb -0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 36.38 36.02 3i3d s VAL 668 CO 0.03 0.05 1.35 -2.84 0.00 0.00 0.00 175.10 173.70 3i3d s PRO 669 N 0.85 3.68 -0.22 2.72 0.02 -1.26 -0.15 135.00 140.64 3i3d s PRO 669 Ca -0.06 2.25 -0.16 0.00 0.02 0.00 0.00 61.00 63.05 3i3d s PRO 669 Cb -0.08 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 3i3d s PRO 669 CO -0.04 -0.76 0.41 -0.51 -0.33 0.00 0.00 177.00 175.77 3i3d s LEU 670 N -2.80 4.13 -0.52 -5.54 1.43 -0.66 -4.78 118.68 109.93 3i3d s LEU 670 Ca 0.62 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 54.28 3i3d s LEU 670 Cb -0.40 -2.53 0.24 0.00 0.03 0.00 0.00 46.19 43.53 3i3d s LEU 670 CO 0.51 -0.12 0.61 -0.67 0.23 0.00 0.00 176.35 176.91 3i3d n ASP 671 N 4.70 1.88 -4.29 2.29 2.03 -1.26 -4.68 116.55 117.21 3i3d n ASP 671 Ca -0.08 -3.03 -0.33 0.00 0.52 0.00 0.00 54.79 51.87 3i3d n ASP 671 Cb 0.51 -0.65 -0.16 0.00 -0.72 0.00 0.00 41.12 40.10 3i3d n ASP 671 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3i3d s VAL 672 N -1.69 2.60 0.74 5.18 1.01 -1.26 -4.87 120.40 122.12 3i3d s VAL 672 Ca 0.36 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 3i3d s VAL 672 Cb 0.14 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.50 3i3d s VAL 672 CO -0.08 0.54 1.08 0.00 0.00 0.00 0.00 175.10 176.64 3i3d s ALA 673 N 0.44 2.48 0.23 5.51 0.00 -1.26 -1.60 121.76 127.56 3i3d s ALA 673 Ca -0.13 -0.07 -0.32 0.00 0.00 0.00 0.00 51.96 51.45 3i3d s ALA 673 Cb -0.17 -3.14 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 3i3d s ALA 673 CO 0.06 -1.46 1.63 -0.35 0.00 0.00 0.00 175.76 175.64 3i3d n PRO 674 N -3.27 2.56 -0.83 0.00 -0.04 -1.22 0.19 135.00 132.40 3i3d n PRO 674 Ca 0.07 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.45 3i3d n PRO 674 Cb 0.55 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.14 -0.39 -2.01 0.54 1.13 -0.61 -4.94 117.38 114.25 3i3d n GLN 675 Ca 0.14 0.10 -0.21 0.00 -1.94 0.00 0.00 57.00 55.08 3i3d n GLN 675 Cb 0.34 -3.76 0.12 0.00 0.11 0.00 0.00 30.24 27.06 3i3d n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i3d n GLY 676 N -1.59 -0.08 3.19 1.08 0.00 0.13 -4.73 105.19 103.19 3i3d n GLY 676 Ca 0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 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 -4.92 0.88 -0.03 1.61 1.02 -1.26 -1.15 119.74 115.88 3i3d s LYS 677 Ca 0.58 -1.12 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 3i3d s LYS 677 Cb -0.03 -0.69 0.03 0.00 -0.52 0.00 0.00 37.83 36.62 3i3d s LYS 677 CO 0.39 0.13 0.06 -1.14 -0.92 0.00 0.00 175.35 173.87 3i3d s GLN 678 N -2.47 -0.02 -0.21 1.68 0.74 0.82 -4.82 119.66 115.38 3i3d s GLN 678 Ca 0.04 0.26 -0.12 0.00 0.05 0.00 0.00 55.36 55.59 3i3d s GLN 678 Cb -0.05 -0.27 -0.05 0.00 1.10 0.00 0.00 33.01 33.73 3i3d s GLN 678 CO 0.01 -0.20 0.22 -0.51 -0.55 0.00 0.00 175.29 174.27 3i3d s LEU 679 N 1.28 4.17 -0.19 3.68 1.43 -1.26 -0.20 118.68 127.59 3i3d s LEU 679 Ca -0.07 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3i3d s LEU 679 Cb -0.13 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.88 3i3d s LEU 679 CO -0.04 0.08 -0.14 -0.63 0.23 0.00 0.00 176.35 175.85 3i3d s ILE 680 N 0.81 2.56 -0.36 -0.59 1.01 0.92 -4.96 121.20 120.59 3i3d s ILE 680 Ca 0.11 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 3i3d s ILE 680 Cb -0.13 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3i3d s ILE 680 CO 0.03 0.50 0.51 -0.70 0.00 0.00 0.00 174.94 175.28 3i3d s GLU 681 N 1.35 3.58 0.29 2.79 2.56 -1.26 -0.02 118.70 127.99 3i3d s GLU 681 Ca 0.05 -0.20 -0.29 0.00 0.00 0.00 0.00 54.97 54.54 3i3d s GLU 681 Cb -0.13 -3.82 -0.09 0.00 2.00 0.00 0.00 34.13 32.08 3i3d s GLU 681 CO -0.09 -0.67 1.06 -0.51 -0.56 0.00 0.00 175.26 174.49 3i3d s LEU 682 N 2.40 4.50 0.94 2.70 1.43 0.12 -5.01 118.68 125.76 3i3d s LEU 682 Ca 0.18 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 3i3d s LEU 682 Cb -0.15 -3.72 0.16 0.00 0.03 0.00 0.00 46.19 42.50 3i3d s LEU 682 CO 0.14 -0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.51 3i3d s PRO 683 N -1.57 0.85 -0.03 1.29 0.04 -1.26 -4.87 135.00 129.44 3i3d s PRO 683 Ca 0.46 1.02 -0.32 0.00 0.04 0.00 0.00 61.00 62.20 3i3d s PRO 683 Cb -0.29 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3i3d s PRO 683 CO 0.37 -2.58 1.96 0.39 0.04 0.00 0.00 177.00 177.18 3i3d n GLU 684 N -4.14 2.52 -3.09 4.56 1.02 -1.26 -4.95 120.64 115.30 3i3d n GLU 684 Ca 0.07 0.91 -0.39 0.00 -0.02 0.00 0.00 57.16 57.74 3i3d n GLU 684 Cb 0.54 -2.87 -0.06 0.00 -0.02 0.00 0.00 31.44 29.04 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 4.56 4.49 -0.17 -4.62 1.43 -1.26 -5.04 118.68 118.06 3i3d s LEU 685 Ca 0.92 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.11 3i3d s LEU 685 Cb -0.54 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 3i3d s LEU 685 CO 0.46 0.13 1.12 -2.16 0.23 0.00 0.00 176.35 176.13 3i3d s PRO 686 N -0.51 4.29 0.02 1.29 0.04 -1.26 -4.98 135.00 133.89 3i3d s PRO 686 Ca 0.34 1.50 -0.33 0.00 0.04 0.00 0.00 61.00 62.55 3i3d s PRO 686 Cb -0.20 -3.65 -0.11 0.00 0.04 0.00 0.00 34.50 30.57 3i3d s PRO 686 CO 0.21 -0.58 1.85 1.04 0.04 0.00 0.00 177.00 179.56 3i3d n GLN 687 N 6.05 2.44 -2.24 4.56 3.00 -1.26 -4.91 117.38 125.02 3i3d n GLN 687 Ca 0.12 0.89 -0.42 0.00 -0.01 0.00 0.00 57.00 57.58 3i3d n GLN 687 Cb 0.46 -2.76 -0.03 0.00 0.00 0.00 0.00 30.24 27.91 3i3d n GLN 687 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3i3d s PRO 688 N 3.39 4.34 0.02 -1.09 0.04 -1.26 -4.93 135.00 135.51 3i3d s PRO 688 Ca 0.88 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 63.63 3i3d s PRO 688 Cb -0.59 -3.35 -0.16 0.00 0.04 0.00 0.00 34.50 30.43 3i3d s PRO 688 CO 0.45 -0.43 1.27 0.93 0.04 0.00 0.00 177.00 179.26 3i3d h GLU 689 N 7.06 -0.55 -6.81 4.56 5.08 -2.04 -3.45 114.58 118.43 3i3d h GLU 689 Ca -0.41 0.04 -0.52 0.00 -1.00 0.00 0.00 59.36 57.47 3i3d h GLU 689 Cb 1.20 0.13 0.22 0.00 0.50 0.00 0.00 28.75 30.79 3i3d h GLU 689 CO 0.86 -0.25 -0.58 0.45 -1.00 0.00 0.00 179.01 178.49 3i3d n SER 690 N -5.23 -1.98 -4.90 1.42 2.88 -1.26 -4.99 113.62 99.56 3i3d n SER 690 Ca -0.10 0.27 -0.28 0.00 -1.33 0.00 0.00 58.87 57.43 3i3d n SER 690 Cb 0.29 -1.19 -0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3i3d n SER 690 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3d s ALA 691 N -2.39 3.38 0.00 -1.46 0.00 -1.26 -4.91 121.76 115.12 3i3d s ALA 691 Ca 0.57 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3i3d s ALA 691 Cb -0.20 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.29 3i3d s ALA 691 CO 0.67 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3i3d n GLY 692 N -2.17 0.97 3.56 0.00 0.00 -0.06 -4.96 105.19 102.53 3i3d n GLY 692 Ca 0.01 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.45 3.82 -0.03 1.61 2.00 -1.26 -0.76 119.66 123.60 3i3d s GLN 693 Ca 0.00 -0.43 -0.21 0.00 -2.00 0.00 0.00 55.36 52.72 3i3d s GLN 693 Cb 0.00 -3.10 -0.05 0.00 0.80 0.00 0.00 33.01 30.66 3i3d s GLN 693 CO 0.00 0.21 0.62 -0.51 -0.50 0.00 0.00 175.29 175.11 3i3d s LEU 694 N 0.50 4.38 -0.05 3.68 1.43 -0.04 -2.42 118.68 126.15 3i3d s LEU 694 Ca 0.00 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.32 3i3d s LEU 694 Cb -0.13 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.12 3i3d s LEU 694 CO 0.02 0.03 -0.24 0.26 0.23 0.00 0.00 176.35 176.65 3i3d s TRP 695 N 0.13 2.28 -0.17 0.29 0.52 -0.23 0.34 118.94 122.11 3i3d s TRP 695 Ca 0.33 -0.64 -0.06 0.00 0.02 0.00 0.00 56.10 55.75 3i3d s TRP 695 Cb -0.18 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 3i3d s TRP 695 CO 0.17 -0.18 0.02 -1.17 0.02 0.00 0.00 176.95 175.81 3i3d s LEU 696 N -0.18 3.61 -0.07 2.99 2.96 0.32 -1.18 118.68 127.12 3i3d s LEU 696 Ca -0.02 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3i3d s LEU 696 Cb -0.13 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.69 3i3d s LEU 696 CO 0.03 0.18 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.25 3i3d s THR 697 N 0.29 0.99 0.10 3.68 2.01 0.52 -1.09 115.64 122.15 3i3d s THR 697 Ca 0.01 -0.38 0.10 0.00 0.31 0.00 0.00 61.69 61.73 3i3d s THR 697 Cb -0.13 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 3i3d s THR 697 CO 0.01 0.33 -0.26 0.68 -0.69 0.00 0.00 174.62 174.69 3i3d s VAL 698 N 0.84 2.18 -0.09 3.82 -7.23 -0.13 -0.48 120.40 119.31 3i3d s VAL 698 Ca -0.12 -1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 3i3d s VAL 698 Cb -0.15 -1.91 0.03 0.00 0.56 0.00 0.00 36.38 34.91 3i3d s VAL 698 CO 0.02 0.18 0.29 0.00 -0.31 0.00 0.00 175.10 175.27 3i3d s ARG 699 N -1.74 0.41 -0.21 4.82 1.70 -0.15 -1.27 118.95 122.50 3i3d s ARG 699 Ca 0.13 0.25 -0.12 0.00 -0.47 0.00 0.00 55.73 55.52 3i3d s ARG 699 Cb -0.10 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 3i3d s ARG 699 CO 0.04 -0.07 0.21 0.08 -1.08 0.00 0.00 175.30 174.48 3i3d s VAL 700 N -0.20 5.34 -0.03 4.99 1.01 0.96 -0.83 120.40 131.64 3i3d s VAL 700 Ca -0.03 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.33 3i3d s VAL 700 Cb -0.03 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3i3d s VAL 700 CO 0.01 0.36 -0.24 -0.69 0.00 0.00 0.00 175.10 174.54 3i3d s VAL 701 N 0.85 2.24 -0.49 2.92 1.01 0.63 -1.10 120.40 126.46 3i3d s VAL 701 Ca 0.11 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 3i3d s VAL 701 Cb -0.13 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.51 3i3d s VAL 701 CO 0.03 0.58 0.55 -1.10 0.00 0.00 0.00 175.10 175.16 3i3d s GLN 702 N -0.59 3.08 0.23 2.72 -0.21 0.25 -0.23 119.66 124.91 3i3d s GLN 702 Ca 0.09 -1.02 -0.08 0.00 0.02 0.00 0.00 55.36 54.38 3i3d s GLN 702 Cb -0.10 -4.10 0.24 0.00 1.00 0.00 0.00 33.01 30.04 3i3d s GLN 702 CO -0.00 -1.14 1.89 -1.35 -2.12 0.00 0.00 175.29 172.56 3i3d h PRO 703 N 8.91 1.09 -5.84 2.91 0.11 -1.88 0.54 132.00 137.83 3i3d h PRO 703 Ca -0.28 -0.07 -0.63 0.00 0.11 0.00 0.00 66.00 65.13 3i3d h PRO 703 Cb 1.10 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 31.91 3i3d h PRO 703 CO 0.93 0.72 -0.43 -0.80 -0.21 0.00 0.00 178.00 178.21 3i3d s ASN 704 N -5.93 6.45 0.75 -2.05 0.01 -1.26 -3.86 114.94 109.04 3i3d s ASN 704 Ca -0.13 0.49 -0.11 0.00 -0.71 0.00 0.00 52.86 52.40 3i3d s ASN 704 Cb 0.17 -2.06 0.04 0.00 0.41 0.00 0.00 41.25 39.81 3i3d s ASN 704 CO 0.80 0.27 1.09 0.00 -1.51 0.00 0.00 177.10 177.75 3i3d s ALA 705 N -1.27 2.34 0.23 0.60 0.00 -1.26 -4.53 121.76 117.86 3i3d s ALA 705 Ca 0.26 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3i3d s ALA 705 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3i3d s ALA 705 CO 0.15 -1.63 0.07 0.25 0.00 0.00 0.00 175.76 174.61 3i3d n THR 706 N -3.29 0.00 0.31 0.00 -2.24 0.11 -4.92 114.28 104.25 3i3d n THR 706 Ca 0.09 -1.32 0.16 0.00 -2.27 0.00 0.00 64.05 60.71 3i3d n THR 706 Cb 0.53 0.46 0.66 0.00 -2.10 0.00 0.00 70.33 69.88 3i3d n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3d h ALA 707 N 1.36 1.00 0.00 6.98 0.00 -1.99 -3.20 119.26 123.41 3i3d h ALA 707 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i3d h ALA 707 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i3d h ALA 707 CO 0.29 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.87 3i3d n TRP 708 N -2.82 0.00 -3.61 0.00 4.27 -1.26 -5.05 117.44 108.98 3i3d n TRP 708 Ca 0.01 -0.19 -0.11 0.00 -3.89 0.00 0.00 57.50 53.31 3i3d n TRP 708 Cb 0.26 -0.02 -0.05 0.00 -1.36 0.00 0.00 31.31 30.15 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 -0.38 -0.30 0.49 -0.67 1.04 -1.21 -4.68 113.70 107.98 3i3d s SER 709 Ca 0.00 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 3i3d s SER 709 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 3i3d s SER 709 CO 0.00 -0.82 0.75 -1.61 0.98 0.00 0.00 173.24 172.53 3i3d s GLU 710 N -3.46 3.04 0.29 4.02 2.02 -1.26 -0.71 118.70 122.63 3i3d s GLU 710 Ca 0.01 -0.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.39 3i3d s GLU 710 Cb 0.01 -2.46 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 3i3d s GLU 710 CO -0.10 -0.40 1.44 0.00 0.02 0.00 0.00 175.26 176.22 3i3d s ALA 711 N -2.70 3.61 0.00 5.21 0.00 -1.26 -2.37 121.76 124.26 3i3d s ALA 711 Ca 0.50 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.84 3i3d s ALA 711 Cb -0.10 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3i3d s ALA 711 CO 0.40 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3i3d n GLY 712 N 1.71 0.64 3.68 0.00 0.00 0.19 -4.94 105.19 106.46 3i3d n GLY 712 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3i3d n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i3d n HIS 713 N -2.00 2.33 -3.34 1.61 -0.00 -1.00 -4.58 115.22 108.24 3i3d n HIS 713 Ca 0.00 0.30 -0.39 0.00 0.46 0.00 0.00 57.72 58.09 3i3d n HIS 713 Cb 0.00 -2.53 -0.08 0.00 -0.12 0.00 0.00 29.99 27.26 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 0.53 5.15 -0.07 3.57 1.01 -1.26 -0.58 121.20 129.55 3i3d s ILE 714 Ca 0.74 0.70 0.19 0.00 0.00 0.00 0.00 60.65 62.28 3i3d s ILE 714 Cb -0.64 -3.75 -0.29 0.00 0.01 0.00 0.00 42.46 37.79 3i3d s ILE 714 CO 0.42 0.16 0.35 -1.54 0.00 0.00 0.00 174.94 174.33 3i3d n SER 715 N 5.16 0.40 -3.42 3.58 3.41 -0.25 -5.02 113.62 117.49 3i3d n SER 715 Ca -0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 3i3d n SER 715 Cb 0.50 1.68 -0.02 0.00 -0.26 0.00 0.00 64.21 66.12 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 -3.17 -1.61 0.14 7.33 0.00 -1.24 -4.69 121.76 118.53 3i3d s ALA 716 Ca -0.08 0.51 -0.24 0.00 0.00 0.00 0.00 51.96 52.16 3i3d s ALA 716 Cb 0.11 0.86 0.07 0.00 0.00 0.00 0.00 23.12 24.17 3i3d s ALA 716 CO 0.82 -0.76 0.68 1.67 0.00 0.00 0.00 175.76 178.17 3i3d s TRP 717 N -3.68 -0.45 -0.03 0.00 -2.14 -1.26 -0.03 118.94 111.35 3i3d s TRP 717 Ca 0.01 0.22 -0.30 0.00 2.66 0.00 0.00 56.10 58.69 3i3d s TRP 717 Cb -0.01 0.58 0.08 0.00 -3.10 0.00 0.00 33.47 31.02 3i3d s TRP 717 CO -0.12 -0.84 0.72 -1.14 -2.66 0.00 0.00 176.95 172.90 3i3d s GLN 718 N -3.64 1.02 0.14 3.25 2.00 -0.39 -4.98 119.66 117.05 3i3d s GLN 718 Ca 0.03 0.12 0.07 0.00 -2.00 0.00 0.00 55.36 53.59 3i3d s GLN 718 Cb -0.02 0.48 -0.04 0.00 0.80 0.00 0.00 33.01 34.23 3i3d s GLN 718 CO -0.09 -0.34 -0.16 -0.65 -0.50 0.00 0.00 175.29 173.54 3i3d s GLN 719 N -1.60 1.14 -0.11 1.67 -0.21 -1.26 -0.96 119.66 118.33 3i3d s GLN 719 Ca -0.08 -1.31 -0.10 0.00 0.02 0.00 0.00 55.36 53.89 3i3d s GLN 719 Cb -0.00 -1.12 0.03 0.00 1.00 0.00 0.00 33.01 32.92 3i3d s GLN 719 CO 0.05 0.22 0.30 -1.58 -2.12 0.00 0.00 175.29 172.16 3i3d s TRP 720 N -2.06 -0.33 0.01 0.91 0.51 -0.25 -4.99 118.94 112.75 3i3d s TRP 720 Ca 0.12 0.81 -0.30 0.00 -2.12 0.00 0.00 56.10 54.61 3i3d s TRP 720 Cb -0.05 0.11 -0.03 0.00 -0.81 0.00 0.00 33.47 32.69 3i3d s TRP 720 CO 0.05 -0.16 0.99 1.03 -0.51 0.00 0.00 176.95 178.34 3i3d s ARG 721 N 0.22 4.57 0.00 4.98 0.52 -1.26 -0.52 118.95 127.45 3i3d s ARG 721 Ca -0.00 1.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.64 3i3d s ARG 721 Cb -0.02 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 31.99 3i3d s ARG 721 CO -0.00 -0.04 0.00 1.28 0.02 0.00 0.00 175.30 176.56 3i3d n LEU 722 N 3.82 0.00 -4.76 2.53 4.77 0.15 -4.92 117.00 118.60 3i3d n LEU 722 Ca 0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.70 3i3d n LEU 722 Cb 0.51 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.65 3i3d n LEU 722 CO 0.52 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 177.35 3i3d s ALA 723 N -3.00 2.40 -0.03 -1.18 0.00 -1.26 -4.68 121.76 114.01 3i3d s ALA 723 Ca 0.00 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3i3d s ALA 723 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3i3d s ALA 723 CO 0.00 -1.38 -0.03 -2.00 0.00 0.00 0.00 175.76 172.36 3i3d s GLU 724 N -3.90 0.60 -0.34 0.00 2.12 -1.26 -0.87 118.70 115.04 3i3d s GLU 724 Ca 0.70 -0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.97 3i3d s GLU 724 Cb -0.24 -0.66 0.07 0.00 0.26 0.00 0.00 34.13 33.57 3i3d s GLU 724 CO 0.40 -0.08 0.08 -0.80 -0.54 0.00 0.00 175.26 174.32 3i3d s ASN 725 N 0.85 5.03 0.40 -1.70 0.01 0.06 -4.98 114.94 114.61 3i3d s ASN 725 Ca -0.10 -1.60 -0.26 0.00 -0.71 0.00 0.00 52.86 50.18 3i3d s ASN 725 Cb -0.13 -1.75 -0.09 0.00 0.41 0.00 0.00 41.25 39.69 3i3d s ASN 725 CO -0.00 -0.37 1.29 -0.76 -1.51 0.00 0.00 177.10 175.74 3i3d s LEU 726 N 1.19 4.23 -0.13 0.60 1.43 -1.26 -0.89 118.68 123.85 3i3d s LEU 726 Ca 0.01 2.62 -0.29 0.00 -1.03 0.00 0.00 54.13 55.44 3i3d s LEU 726 Cb -0.21 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 3i3d s LEU 726 CO -0.03 -0.81 0.98 -0.55 0.23 0.00 0.00 176.35 176.18 3i3d s SER 727 N -0.77 7.19 0.00 2.29 0.15 -1.26 -4.87 113.70 116.43 3i3d s SER 727 Ca 0.56 1.46 0.01 0.00 0.70 0.00 0.00 55.95 58.68 3i3d s SER 727 Cb -0.37 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.40 3i3d s SER 727 CO 0.48 -0.46 0.37 1.33 1.20 0.00 0.00 173.24 176.16 3i3d n VAL 728 N 4.64 0.00 -2.45 4.45 0.24 -1.26 -5.02 118.33 118.93 3i3d n VAL 728 Ca 0.08 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.47 3i3d n VAL 728 Cb 0.48 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 3i3d n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i3d s THR 729 N -0.39 4.21 0.46 3.34 -4.23 -1.26 -5.01 115.64 112.76 3i3d s THR 729 Ca 0.01 1.55 -0.23 0.00 -1.18 0.00 0.00 61.69 61.85 3i3d s THR 729 Cb 0.01 -4.00 -0.07 0.00 1.34 0.00 0.00 72.50 69.78 3i3d s THR 729 CO 0.02 0.04 1.16 -0.76 -0.54 0.00 0.00 174.62 174.54 3i3d s LEU 730 N 1.82 4.00 0.51 4.79 1.02 -1.26 -5.01 118.68 124.54 3i3d s LEU 730 Ca 0.57 2.30 -0.20 0.00 0.02 0.00 0.00 54.13 56.82 3i3d s LEU 730 Cb -0.26 -4.26 -0.07 0.00 0.02 0.00 0.00 46.19 41.62 3i3d s LEU 730 CO 0.25 -0.94 1.06 -2.16 0.02 0.00 0.00 176.35 174.58 3i3d s PRO 731 N -2.73 3.66 -0.09 1.29 0.04 -1.26 -4.94 135.00 130.98 3i3d s PRO 731 Ca 0.64 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 3i3d s PRO 731 Cb -0.28 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 3i3d s PRO 731 CO 0.34 -0.55 2.06 0.00 0.04 0.00 0.00 177.00 178.89 3i3d n ALA 732 N -1.14 1.52 -1.99 8.56 0.00 -1.26 -4.91 120.51 121.29 3i3d n ALA 732 Ca 0.10 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 3i3d n ALA 732 Cb 0.52 -2.73 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 3i3d n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3d s ALA 733 N 5.90 3.73 0.38 0.00 0.00 -1.26 -4.97 121.76 125.55 3i3d s ALA 733 Ca 0.95 1.30 0.02 0.00 0.00 0.00 0.00 51.96 54.23 3i3d s ALA 733 Cb -0.46 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.04 3i3d s ALA 733 CO 0.42 -0.74 0.57 -1.54 0.00 0.00 0.00 175.76 174.47 3i3d s SER 734 N 1.15 6.01 -0.19 0.00 1.04 -1.26 -5.05 113.70 115.41 3i3d s SER 734 Ca 0.69 0.21 -0.13 0.00 0.48 0.00 0.00 55.95 57.20 3i3d s SER 734 Cb -0.42 -1.61 -0.21 0.00 0.10 0.00 0.00 66.02 63.88 3i3d s SER 734 CO 0.31 -0.50 0.15 1.41 0.98 0.00 0.00 173.24 175.59 3i3d n HIS 735 N -1.86 0.87 -1.88 5.02 8.25 -1.26 -4.93 115.22 119.42 3i3d n HIS 735 Ca -0.01 0.27 -0.40 0.00 -0.26 0.00 0.00 57.72 57.32 3i3d n HIS 735 Cb 0.57 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.58 3i3d n HIS 735 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i3d s ALA 736 N -2.47 3.39 -0.07 -1.41 0.00 -1.26 -5.02 121.76 114.91 3i3d s ALA 736 Ca -0.28 1.44 0.04 0.00 0.00 0.00 0.00 51.96 53.16 3i3d s ALA 736 Cb 0.08 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 3i3d s ALA 736 CO 0.65 -1.02 -0.21 0.42 0.00 0.00 0.00 175.76 175.60 3i3d s ILE 737 N -1.18 1.81 0.49 0.00 1.01 -1.26 -4.20 121.20 117.86 3i3d s ILE 737 Ca 0.56 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 3i3d s ILE 737 Cb -0.43 -1.56 -0.08 0.00 0.01 0.00 0.00 42.46 40.40 3i3d s ILE 737 CO 0.57 0.51 1.23 -2.65 0.00 0.00 0.00 174.94 174.59 3i3d n PRO 738 N 3.36 1.66 -4.98 2.79 -0.02 -1.26 -4.92 135.00 131.63 3i3d n PRO 738 Ca -0.19 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 3i3d n PRO 738 Cb 0.53 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.47 3i3d n PRO 738 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i3d s HIS 739 N -1.28 2.69 -0.06 6.00 2.46 -0.19 -4.76 115.29 120.15 3i3d s HIS 739 Ca 0.66 -0.81 -0.19 0.00 0.47 0.00 0.00 55.06 55.19 3i3d s HIS 739 Cb -0.47 -1.78 -0.05 0.00 -0.13 0.00 0.00 32.58 30.16 3i3d s HIS 739 CO 0.54 -0.30 0.53 -1.17 -2.47 0.00 0.00 174.74 171.87 3i3d s LEU 740 N 0.32 4.35 -0.11 8.88 2.96 -1.26 -1.45 118.68 132.36 3i3d s LEU 740 Ca -0.14 0.98 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3i3d s LEU 740 Cb -0.17 -2.80 0.02 0.00 0.50 0.00 0.00 46.19 43.75 3i3d s LEU 740 CO 0.07 0.06 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.15 3i3d s THR 741 N 0.20 1.26 0.17 3.68 2.01 0.14 -4.99 115.64 118.11 3i3d s THR 741 Ca 0.29 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.87 3i3d s THR 741 Cb -0.17 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 3i3d s THR 741 CO 0.14 0.40 0.09 -0.89 -0.69 0.00 0.00 174.62 173.66 3i3d s THR 742 N 1.29 4.19 0.25 -0.82 2.01 -1.26 -0.34 115.64 120.96 3i3d s THR 742 Ca -0.02 -1.24 -0.18 0.00 0.31 0.00 0.00 61.69 60.57 3i3d s THR 742 Cb -0.14 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.25 3i3d s THR 742 CO -0.05 -0.13 0.61 -0.94 -0.69 0.00 0.00 174.62 173.43 3i3d s SER 743 N -3.10 -0.22 0.23 3.53 1.04 -0.73 -5.00 113.70 109.45 3i3d s SER 743 Ca 0.30 -0.65 -0.08 0.00 0.48 0.00 0.00 55.95 56.00 3i3d s SER 743 Cb -0.10 0.66 0.22 0.00 0.10 0.00 0.00 66.02 66.90 3i3d s SER 743 CO 0.22 -1.22 1.91 -0.08 0.98 0.00 0.00 173.24 175.04 3i3d h GLU 744 N 2.11 1.20 0.00 4.02 4.81 -2.03 -3.19 114.58 121.50 3i3d h GLU 744 Ca -0.23 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3i3d h GLU 744 Cb 1.25 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3i3d h GLU 744 CO 0.30 0.80 -1.06 -1.33 -0.73 0.00 0.00 179.01 176.98 3i3d n MET 745 N -4.44 0.34 -3.84 1.92 2.81 -1.26 -4.81 117.12 107.84 3i3d n MET 745 Ca 0.10 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.90 3i3d n MET 745 Cb 0.02 -1.62 -0.08 0.00 -0.71 0.00 0.00 33.22 30.83 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 -4.12 0.05 -0.22 7.83 1.01 -1.21 -1.11 116.67 118.90 3i3d s ASP 746 Ca 0.03 -0.49 -0.01 0.00 0.71 0.00 0.00 52.55 52.79 3i3d s ASP 746 Cb 0.14 0.32 0.02 0.00 1.01 0.00 0.00 42.92 44.41 3i3d s ASP 746 CO 0.80 -0.65 -0.11 -0.36 0.21 0.00 0.00 175.17 175.06 3i3d s PHE 747 N -3.22 2.95 -0.05 4.23 2.99 -0.34 -1.77 117.98 122.76 3i3d s PHE 747 Ca -0.00 -1.49 0.06 0.00 0.00 0.00 0.00 56.93 55.50 3i3d s PHE 747 Cb 0.02 -2.01 -0.02 0.00 0.00 0.00 0.00 43.02 41.01 3i3d s PHE 747 CO -0.08 -0.73 -0.24 0.00 -0.00 0.00 0.00 175.22 174.18 3i3d s ILE 749 N -0.37 1.96 -0.02 0.00 1.09 0.01 0.23 121.20 124.11 3i3d s ILE 749 Ca 0.03 -1.02 0.04 0.00 -1.10 0.00 0.00 60.65 58.60 3i3d s ILE 749 Cb -0.12 -1.65 -0.01 0.00 -1.06 0.00 0.00 42.46 39.62 3i3d s ILE 749 CO 0.02 0.55 -0.14 -0.70 -0.10 0.00 0.00 174.94 174.56 3i3d s GLU 750 N -0.22 1.21 -0.22 2.79 2.12 -0.53 -0.74 118.70 123.10 3i3d s GLU 750 Ca -0.01 -0.50 -0.04 0.00 0.36 0.00 0.00 54.97 54.78 3i3d s GLU 750 Cb -0.13 -1.15 0.12 0.00 0.26 0.00 0.00 34.13 33.23 3i3d s GLU 750 CO 0.03 0.28 0.39 -1.17 -0.54 0.00 0.00 175.26 174.24 3i3d s LEU 751 N -0.24 -0.63 0.00 2.70 2.96 -0.43 -1.02 118.68 122.02 3i3d s LEU 751 Ca 0.04 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 3i3d s LEU 751 Cb -0.07 1.18 0.00 0.00 0.50 0.00 0.00 46.19 47.81 3i3d s LEU 751 CO -0.00 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3i3d n GLY 752 N 5.37 3.09 1.28 7.98 0.00 -1.26 -0.61 105.19 121.03 3i3d n GLY 752 Ca -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 2.59 3.43 -4.45 1.61 6.94 -1.26 -4.88 115.26 119.24 3i3d n ASN 753 Ca 0.00 -2.53 -0.33 0.00 -0.02 0.00 0.00 54.58 51.71 3i3d n ASN 753 Cb 0.00 -0.61 -0.13 0.00 -2.36 0.00 0.00 39.78 36.68 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 -1.88 2.46 0.00 -3.83 1.02 0.22 0.85 119.74 118.59 3i3d s LYS 754 Ca 0.28 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.57 3i3d s LYS 754 Cb 0.22 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 3i3d s LYS 754 CO 0.08 0.61 -0.08 1.03 -0.92 0.00 0.00 175.35 176.07 3i3d s ARG 755 N -0.71 0.65 -0.05 1.68 0.52 -0.66 -1.31 118.95 119.08 3i3d s ARG 755 Ca 0.11 -0.35 0.05 0.00 -0.52 0.00 0.00 55.73 55.02 3i3d s ARG 755 Cb -0.11 -0.61 -0.01 0.00 0.52 0.00 0.00 34.95 34.75 3i3d s ARG 755 CO 0.00 0.16 -0.20 -1.58 0.02 0.00 0.00 175.30 173.71 3i3d s TRP 756 N -0.33 2.00 -0.14 -0.53 0.51 0.08 -0.78 118.94 119.75 3i3d s TRP 756 Ca 0.02 -0.59 -0.00 0.00 -2.12 0.00 0.00 56.10 53.40 3i3d s TRP 756 Cb -0.04 -1.33 0.03 0.00 -0.81 0.00 0.00 33.47 31.32 3i3d s TRP 756 CO -0.00 -0.19 -0.07 -1.14 -0.51 0.00 0.00 176.95 175.04 3i3d s GLN 757 N -0.02 1.49 -0.23 4.98 0.74 -0.38 -0.81 119.66 125.44 3i3d s GLN 757 Ca -0.04 -0.38 -0.07 0.00 0.05 0.00 0.00 55.36 54.92 3i3d s GLN 757 Cb -0.13 -1.79 -0.03 0.00 1.10 0.00 0.00 33.01 32.16 3i3d s GLN 757 CO 0.03 -0.34 0.06 -0.06 -0.55 0.00 0.00 175.29 174.43 3i3d s PHE 758 N 1.67 3.11 -0.06 1.67 0.40 0.12 -1.12 117.98 123.77 3i3d s PHE 758 Ca 0.03 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 55.76 3i3d s PHE 758 Cb -0.14 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 3i3d s PHE 758 CO -0.08 -0.23 1.26 1.21 0.70 0.00 0.00 175.22 178.08 3i3d s ASN 759 N 1.28 6.99 0.33 1.36 3.84 -0.60 -1.20 114.94 126.93 3i3d s ASN 759 Ca 0.05 1.86 0.26 0.00 0.21 0.00 0.00 52.86 55.23 3i3d s ASN 759 Cb -0.15 -2.56 0.73 0.00 -0.55 0.00 0.00 41.25 38.73 3i3d s ASN 759 CO 0.03 -0.64 1.73 0.03 -2.79 0.00 0.00 177.10 175.46 3i3d h ARG 760 N 7.68 0.00 0.12 0.43 3.08 -1.43 0.40 114.38 124.66 3i3d h ARG 760 Ca -0.34 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.38 3i3d h ARG 760 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3i3d h ARG 760 CO 0.90 0.00 -1.72 0.37 -1.07 0.00 0.00 179.97 178.45 3i3d h GLN 761 N 0.00 0.26 0.04 0.04 4.15 -1.89 -3.38 115.11 114.33 3i3d h GLN 761 Ca 0.00 -0.45 -0.34 0.00 0.77 0.00 0.00 58.65 58.63 3i3d h GLN 761 Cb 0.76 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.57 3i3d h GLN 761 CO 0.00 1.12 -2.00 -1.13 -1.93 0.00 0.00 178.83 174.89 3i3d n SER 762 N -3.45 1.23 0.00 -0.69 3.41 -1.23 -4.82 113.62 108.08 3i3d n SER 762 Ca -0.22 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i3d n SER 762 Cb 1.05 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 1.80 0.62 3.45 5.00 0.00 0.14 -4.70 105.19 111.49 3i3d n GLY 763 Ca -0.27 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 2.31 -0.47 1.61 0.40 -1.22 -4.90 117.98 113.71 3i3d s PHE 764 Ca 0.00 -0.34 -0.28 0.00 -0.60 0.00 0.00 56.93 55.71 3i3d s PHE 764 Cb 0.00 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 3i3d s PHE 764 CO 0.00 0.60 1.70 -1.17 0.70 0.00 0.00 175.22 177.06 3i3d s LEU 765 N -3.08 3.43 0.11 -0.37 2.96 -1.26 -1.55 118.68 118.93 3i3d s LEU 765 Ca 0.25 0.77 0.23 0.00 -0.22 0.00 0.00 54.13 55.16 3i3d s LEU 765 Cb -0.07 -3.13 0.02 0.00 0.50 0.00 0.00 46.19 43.51 3i3d s LEU 765 CO 0.12 -1.88 1.00 -1.54 -1.32 0.00 0.00 176.35 172.73 3i3d n SER 766 N 10.76 0.64 -3.48 3.68 3.41 -0.27 -1.45 113.62 126.91 3i3d n SER 766 Ca 0.20 0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.76 3i3d n SER 766 Cb 0.49 0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 65.14 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 -3.30 1.05 -0.08 4.33 2.00 -1.15 -4.46 119.66 118.05 3i3d s GLN 767 Ca 0.01 -0.21 -0.12 0.00 -2.00 0.00 0.00 55.36 53.05 3i3d s GLN 767 Cb 0.12 0.49 0.03 0.00 0.80 0.00 0.00 33.01 34.45 3i3d s GLN 767 CO 0.80 -0.42 0.30 -1.64 -0.50 0.00 0.00 175.29 173.82 3i3d s MET 768 N -2.77 0.45 -0.03 1.67 -1.94 -1.26 -1.25 119.30 114.17 3i3d s MET 768 Ca -0.01 0.21 0.04 0.00 -1.71 0.00 0.00 55.69 54.22 3i3d s MET 768 Cb -0.01 0.21 -0.00 0.00 2.01 0.00 0.00 34.83 37.04 3i3d s MET 768 CO -0.06 -0.08 -0.15 -1.58 -0.01 0.00 0.00 175.02 173.14 3i3d s TRP 769 N -0.34 1.47 -0.56 -0.03 0.51 0.04 -0.08 118.94 119.96 3i3d s TRP 769 Ca -0.05 -0.38 -0.01 0.00 -2.12 0.00 0.00 56.10 53.55 3i3d s TRP 769 Cb -0.03 -0.99 0.14 0.00 -0.81 0.00 0.00 33.47 31.78 3i3d s TRP 769 CO 0.02 -0.11 0.35 0.42 -0.51 0.00 0.00 176.95 177.11 3i3d s ILE 770 N -0.03 3.39 0.00 2.03 1.01 -0.97 -1.65 121.20 124.97 3i3d s ILE 770 Ca -0.01 -2.83 0.00 0.00 0.00 0.00 0.00 60.65 57.81 3i3d s ILE 770 Cb -0.09 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.12 3i3d s ILE 770 CO 0.01 -0.82 0.00 0.61 0.00 0.00 0.00 174.94 174.74 3i3d n GLY 771 N 3.65 1.54 0.60 6.18 0.00 0.25 -3.24 105.19 114.17 3i3d n GLY 771 Ca 0.05 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 6.00 2.44 -4.40 1.61 5.68 -1.26 -4.86 116.55 121.76 3i3d n ASP 772 Ca 0.00 -3.47 -0.35 0.00 -0.50 0.00 0.00 54.79 50.47 3i3d n ASP 772 Cb 0.00 -0.52 -0.13 0.00 -1.14 0.00 0.00 41.12 39.33 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 -3.06 3.54 0.48 0.11 1.02 -1.20 -5.09 119.74 115.54 3i3d s LYS 773 Ca 0.38 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.59 3i3d s LYS 773 Cb 0.34 -3.06 -0.07 0.00 -0.52 0.00 0.00 37.83 34.53 3i3d s LYS 773 CO 0.00 -0.06 1.28 -1.59 -0.92 0.00 0.00 175.35 174.06 3i3d s LYS 774 N 1.16 3.56 -0.03 1.68 -2.85 -1.26 -2.30 119.74 119.69 3i3d s LYS 774 Ca 0.03 2.05 0.13 0.00 -1.00 0.00 0.00 55.97 57.18 3i3d s LYS 774 Cb -0.14 -2.43 -0.20 0.00 -2.06 0.00 0.00 37.83 33.00 3i3d s LYS 774 CO 0.01 -0.80 0.26 1.04 0.10 0.00 0.00 175.35 175.96 3i3d n GLN 775 N -0.56 0.60 -4.34 1.78 1.13 0.89 -4.80 117.38 112.07 3i3d n GLN 775 Ca 0.08 -0.11 -0.29 0.00 -1.94 0.00 0.00 57.00 54.74 3i3d n GLN 775 Cb 0.46 -1.32 -0.12 0.00 0.11 0.00 0.00 30.24 29.37 3i3d n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i3d s LEU 776 N -4.06 2.56 -0.01 1.08 1.43 -1.26 -1.23 118.68 117.20 3i3d s LEU 776 Ca -0.05 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.49 3i3d s LEU 776 Cb 0.08 -1.42 -0.12 0.00 0.03 0.00 0.00 46.19 44.76 3i3d s LEU 776 CO 0.55 0.17 0.17 0.18 0.23 0.00 0.00 176.35 177.65 3i3d n LEU 777 N 0.79 0.00 -3.81 1.79 4.77 0.89 -4.70 117.00 116.73 3i3d n LEU 777 Ca -0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 3i3d n LEU 777 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 3i3d n LEU 777 CO 0.27 0.00 -0.22 -0.89 -1.33 0.00 0.00 177.39 175.22 3i3d s THR 778 N -2.53 -0.01 0.71 -5.08 2.01 -1.11 -4.94 115.64 104.69 3i3d s THR 778 Ca -0.03 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 3i3d s THR 778 Cb 0.05 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 72.36 3i3d s THR 778 CO 0.32 0.01 1.00 -2.65 -0.69 0.00 0.00 174.62 172.62 3i3d n PRO 779 N 3.22 0.58 -2.45 4.92 -0.02 -1.26 -3.56 135.00 136.44 3i3d n PRO 779 Ca -0.15 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 3i3d n PRO 779 Cb 0.58 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 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 -3.21 3.62 0.16 2.45 2.96 -0.53 -4.50 118.68 119.63 3i3d s LEU 780 Ca 0.74 0.73 0.07 0.00 -0.22 0.00 0.00 54.13 55.45 3i3d s LEU 780 Cb -0.35 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.75 3i3d s LEU 780 CO 0.49 -1.34 -0.15 -0.13 -1.32 0.00 0.00 176.35 173.90 3i3d s ARG 781 N 4.71 1.17 0.61 1.98 0.52 -0.49 -4.12 118.95 123.32 3i3d s ARG 781 Ca 0.56 -1.39 -0.17 0.00 -0.52 0.00 0.00 55.73 54.21 3i3d s ARG 781 Cb -0.11 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.26 3i3d s ARG 781 CO 0.31 0.20 1.15 -0.51 0.02 0.00 0.00 175.30 176.47 3i3d s ASP 782 N -2.76 5.27 -0.04 0.23 1.11 -1.26 -0.99 116.67 118.22 3i3d s ASP 782 Ca 0.15 2.18 -0.01 0.00 0.18 0.00 0.00 52.55 55.04 3i3d s ASP 782 Cb -0.04 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.41 3i3d s ASP 782 CO 0.05 -1.53 0.07 -1.58 1.18 0.00 0.00 175.17 173.36 3i3d s GLN 783 N -3.61 0.01 0.00 8.23 0.74 0.37 -4.80 119.66 120.60 3i3d s GLN 783 Ca 0.72 0.25 0.00 0.00 0.05 0.00 0.00 55.36 56.38 3i3d s GLN 783 Cb -0.25 -0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.65 3i3d s GLN 783 CO 0.35 -0.16 0.86 1.19 -0.55 0.00 0.00 175.29 176.97 3i3d n PHE 784 N 4.16 0.00 -4.44 1.67 3.01 -1.26 -2.32 117.46 118.27 3i3d n PHE 784 Ca -0.27 -0.37 -0.22 0.00 1.01 0.00 0.00 57.45 57.61 3i3d n PHE 784 Cb 0.51 -0.04 -0.10 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.73 1.46 0.02 4.37 -4.23 -1.26 -2.76 115.64 112.51 3i3d s THR 785 Ca 0.00 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.42 3i3d s THR 785 Cb 0.00 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 3i3d s THR 785 CO 0.00 -0.17 0.03 0.00 -0.54 0.00 0.00 174.62 173.94 3i3d s ARG 786 N -3.80 0.43 0.05 3.99 1.70 -1.26 -4.76 118.95 115.31 3i3d s ARG 786 Ca 0.32 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 3i3d s ARG 786 Cb 0.06 0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 3i3d s ARG 786 CO 0.13 -0.09 1.81 0.00 -1.08 0.00 0.00 175.30 176.08 3i3d s ALA 787 N -1.90 3.66 0.06 7.88 0.00 -1.26 -4.85 121.76 125.35 3i3d s ALA 787 Ca -0.11 1.28 -0.36 0.00 0.00 0.00 0.00 51.96 52.76 3i3d s ALA 787 Cb -0.06 -3.78 -0.15 0.00 0.00 0.00 0.00 23.12 19.13 3i3d s ALA 787 CO -0.02 -1.35 1.53 -0.35 0.00 0.00 0.00 175.76 175.57 3i3d n PRO 788 N 6.54 1.63 -2.00 0.00 -0.04 -1.26 -1.75 135.00 138.12 3i3d n PRO 788 Ca 0.18 0.59 -0.29 0.00 -0.04 0.00 0.00 63.50 63.94 3i3d n PRO 788 Cb 0.40 -2.30 0.06 0.00 -0.04 0.00 0.00 33.50 31.62 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 1.33 2.85 0.30 1.53 1.43 -1.26 -4.62 118.68 120.23 3i3d s LEU 789 Ca 0.85 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 3i3d s LEU 789 Cb -0.84 -3.63 0.58 0.00 0.03 0.00 0.00 46.19 42.33 3i3d s LEU 789 CO 0.46 -1.46 1.87 0.44 0.23 0.00 0.00 176.35 177.88 3i3d h ASP 790 N -0.68 0.89 0.10 2.29 5.19 -1.87 -0.79 116.42 121.56 3i3d h ASP 790 Ca -0.45 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 55.91 3i3d h ASP 790 Cb 1.28 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3i3d h ASP 790 CO 0.64 0.51 -0.25 0.78 -3.12 0.00 0.00 179.24 177.79 3i3d h ASN 791 N 0.97 0.26 0.14 6.45 2.35 -1.85 -1.02 115.58 122.87 3i3d h ASN 791 Ca 0.46 -0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.98 3i3d h ASN 791 Cb 0.42 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3i3d h ASN 791 CO -0.22 0.52 -0.55 0.44 -1.65 0.00 0.00 177.43 175.97 3i3d h ASP 792 N 0.23 0.49 0.10 5.81 3.32 -1.47 -3.31 116.42 121.59 3i3d h ASP 792 Ca 0.04 -0.26 -0.22 0.00 0.02 0.00 0.00 57.03 56.60 3i3d h ASP 792 Cb 0.58 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.01 3i3d h ASP 792 CO 0.04 0.94 -0.93 0.40 -1.72 0.00 0.00 179.24 177.97 3i3d h ILE 793 N 0.34 1.40 0.00 0.35 2.04 -1.08 -1.70 117.51 118.86 3i3d h ILE 793 Ca 0.01 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.49 3i3d h ILE 793 Cb 1.07 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 3i3d h ILE 793 CO 0.10 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.56 3i3d n GLY 794 N 1.39 2.39 0.98 5.37 0.00 -0.41 -2.48 105.19 112.42 3i3d n GLY 794 Ca -0.13 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 0.52 -1.73 1.61 0.24 -1.26 -4.86 118.33 112.85 3i3d n VAL 795 Ca 0.00 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.34 61.12 3i3d n VAL 795 Cb 0.00 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.29 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 1.22 3.78 -4.25 -1.34 2.88 -1.04 -4.84 113.62 110.03 3i3d n SER 796 Ca 0.16 1.12 -0.16 0.00 -1.33 0.00 0.00 58.87 58.66 3i3d n SER 796 Cb 0.53 -1.57 -0.11 0.00 -0.75 0.00 0.00 64.21 62.32 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 -0.00 1.07 0.29 -1.46 2.02 0.38 -4.90 118.70 116.10 3i3d s GLU 797 Ca 0.68 -1.36 0.04 0.00 0.02 0.00 0.00 54.97 54.34 3i3d s GLU 797 Cb -0.52 -0.80 0.64 0.00 0.10 0.00 0.00 34.13 33.55 3i3d s GLU 797 CO 0.44 0.13 1.81 0.00 0.02 0.00 0.00 175.26 177.66 3i3d h ALA 798 N 3.11 1.60 0.05 5.21 0.00 -2.00 -2.09 119.26 125.13 3i3d h ALA 798 Ca -0.38 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3i3d h ALA 798 Cb 1.20 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.84 3i3d h ALA 798 CO 0.57 0.10 -0.42 1.79 0.00 0.00 0.00 179.25 181.29 3i3d h THR 799 N 0.89 1.58 -3.43 0.00 1.35 -2.00 -3.41 112.91 107.90 3i3d h THR 799 Ca 0.53 -2.26 -0.65 0.00 -0.55 0.00 0.00 66.41 63.48 3i3d h THR 799 Cb 0.67 3.05 -0.40 0.00 -1.73 0.00 0.00 68.15 69.75 3i3d h THR 799 CO -0.31 0.62 -0.57 0.00 -0.25 0.00 0.00 175.52 175.01 3i3d s ARG 800 N -2.68 2.10 0.28 4.72 1.70 -0.84 -5.09 118.95 119.14 3i3d s ARG 800 Ca -0.16 -2.59 -0.29 0.00 -0.47 0.00 0.00 55.73 52.23 3i3d s ARG 800 Cb 0.00 -3.41 -0.10 0.00 -0.57 0.00 0.00 34.95 30.87 3i3d s ARG 800 CO 0.77 -1.12 1.09 0.42 -1.08 0.00 0.00 175.30 175.38 3i3d s ILE 801 N -0.21 3.51 -0.59 4.99 1.09 -0.88 -0.47 121.20 128.64 3i3d s ILE 801 Ca 0.17 1.52 -0.07 0.00 -1.10 0.00 0.00 60.65 61.17 3i3d s ILE 801 Cb -0.24 -3.96 0.15 0.00 -1.06 0.00 0.00 42.46 37.34 3i3d s ILE 801 CO -0.01 0.36 0.44 -0.62 -0.10 0.00 0.00 174.94 175.01 3i3d s ASP 802 N -0.90 5.64 0.59 3.58 2.15 -1.26 -4.88 116.67 121.59 3i3d s ASP 802 Ca 0.44 -2.44 0.29 0.00 0.43 0.00 0.00 52.55 51.28 3i3d s ASP 802 Cb -0.32 -1.96 1.39 0.00 -0.30 0.00 0.00 42.92 41.73 3i3d s ASP 802 CO 0.41 -0.53 1.78 1.55 -0.17 0.00 0.00 175.17 178.21 3i3d h PRO 803 N 7.72 0.00 0.00 4.34 0.13 -1.95 -0.15 132.00 142.09 3i3d h PRO 803 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 3i3d h PRO 803 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 3i3d h PRO 803 CO 0.76 0.00 -0.34 -0.97 -0.23 0.00 0.00 178.00 177.22 3i3d h ASN 804 N 0.00 0.00 -3.98 1.44 -1.24 -1.96 -3.35 115.58 106.49 3i3d h ASN 804 Ca 0.29 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.76 3i3d h ASN 804 Cb 1.59 0.00 0.11 0.00 0.73 0.00 0.00 38.32 40.75 3i3d h ASN 804 CO -0.00 0.34 0.68 0.00 -1.29 0.00 0.00 177.43 177.15 3i3d s ALA 805 N -3.27 3.23 0.23 1.57 0.00 -0.07 -4.72 121.76 118.73 3i3d s ALA 805 Ca 0.03 1.40 -0.06 0.00 0.00 0.00 0.00 51.96 53.33 3i3d s ALA 805 Cb 0.08 -3.56 0.38 0.00 0.00 0.00 0.00 23.12 20.02 3i3d s ALA 805 CO 0.69 -1.10 1.77 -1.49 0.00 0.00 0.00 175.76 175.63 3i3d h TRP 806 N 2.39 0.63 -0.48 0.00 4.06 -1.79 -1.03 115.95 119.73 3i3d h TRP 806 Ca -0.51 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.44 3i3d h TRP 806 Cb 1.26 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 3i3d h TRP 806 CO 0.51 0.20 0.16 -0.24 -3.56 0.00 0.00 178.44 175.50 3i3d h VAL 807 N 0.58 1.19 -0.07 1.49 3.04 -1.65 -0.64 116.25 120.19 3i3d h VAL 807 Ca 0.37 -0.64 -0.18 0.00 -1.01 0.00 0.00 66.70 65.25 3i3d h VAL 807 Cb 0.44 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 3i3d h VAL 807 CO -0.30 0.24 -0.73 -0.33 -1.01 0.00 0.00 177.57 175.44 3i3d h GLU 808 N 0.69 0.36 -0.48 4.17 4.39 -1.61 -1.34 114.58 120.75 3i3d h GLU 808 Ca 0.16 -0.30 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 3i3d h GLU 808 Cb 0.19 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3i3d h GLU 808 CO -0.01 0.94 -0.19 0.00 -1.16 0.00 0.00 179.01 178.59 3i3d h ARG 809 N 0.24 0.96 -0.45 2.33 3.08 -0.60 0.70 114.38 120.65 3i3d h ARG 809 Ca -0.03 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.50 3i3d h ARG 809 Cb 1.30 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3i3d h ARG 809 CO 0.12 1.06 -0.25 -1.49 -1.07 0.00 0.00 179.97 178.34 3i3d h TRP 810 N 0.83 1.12 0.36 3.04 6.55 -1.08 -2.33 115.95 124.44 3i3d h TRP 810 Ca 0.12 -0.29 -0.02 0.00 0.95 0.00 0.00 58.89 59.65 3i3d h TRP 810 Cb 0.75 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.80 3i3d h TRP 810 CO 0.05 1.11 -0.17 0.87 -1.05 0.00 0.00 178.44 179.25 3i3d h LYS 811 N 0.81 -0.46 0.00 0.49 1.57 -1.04 -0.87 116.57 117.07 3i3d h LYS 811 Ca 0.10 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3i3d h LYS 811 Cb 0.83 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3i3d h LYS 811 CO 0.07 -0.22 -0.02 0.00 -0.57 0.00 0.00 179.45 178.71 3i3d h ALA 812 N -0.04 1.22 -0.00 3.86 0.00 -0.88 -0.44 119.26 122.99 3i3d h ALA 812 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i3d h ALA 812 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i3d h ALA 812 CO 0.08 0.03 -0.43 0.00 0.00 0.00 0.00 179.25 178.93 3i3d n ALA 813 N -2.20 3.39 -0.61 0.00 0.00 -0.88 -4.95 120.51 115.27 3i3d n ALA 813 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3i3d n ALA 813 Cb 0.12 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.48 0.73 0.39 0.00 0.00 -0.17 -4.84 105.19 102.77 3i3d n GLY 814 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 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 0.68 0.00 1.61 3.86 -1.38 0.71 115.15 120.63 3i3d h HIS 815 Ca 0.00 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 3i3d h HIS 815 Cb 0.00 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 3i3d h HIS 815 CO 0.00 0.17 -0.78 1.88 0.86 0.00 0.00 177.93 180.05 3i3d h TYR 816 N 0.50 0.00 0.00 2.45 -1.99 -1.87 -3.33 116.97 112.73 3i3d h TYR 816 Ca 0.51 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.19 3i3d h TYR 816 Cb 1.13 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.85 3i3d h TYR 816 CO -0.00 0.58 -1.54 1.04 -0.00 0.00 0.00 178.16 178.24 3i3d n GLN 817 N -3.16 0.63 -1.52 4.88 1.13 -0.25 -4.99 117.38 114.10 3i3d n GLN 817 Ca -0.01 0.01 -0.59 0.00 -1.94 0.00 0.00 57.00 54.46 3i3d n GLN 817 Cb 0.79 -1.69 -0.08 0.00 0.11 0.00 0.00 30.24 29.37 3i3d n GLN 817 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i3d n ALA 818 N -2.28 -3.36 -2.75 -1.58 0.00 0.23 -4.96 120.51 105.80 3i3d n ALA 818 Ca -0.05 0.59 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 3i3d n ALA 818 Cb 0.65 -1.79 -0.11 0.00 0.00 0.00 0.00 19.45 18.20 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 0.26 3.20 0.05 0.00 2.02 -1.19 -4.90 118.70 118.14 3i3d s GLU 819 Ca 0.92 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 55.13 3i3d s GLU 819 Cb -1.27 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 30.10 3i3d s GLU 819 CO 0.59 0.53 1.21 0.00 0.02 0.00 0.00 175.26 177.60 3i3d s ALA 820 N -0.41 3.41 -0.18 5.21 0.00 -1.26 -3.06 121.76 125.48 3i3d s ALA 820 Ca 0.07 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 3i3d s ALA 820 Cb -0.12 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 3i3d s ALA 820 CO 0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 175.76 175.16 3i3d s ALA 821 N 1.25 2.56 0.00 0.00 0.00 0.15 -4.92 121.76 120.80 3i3d s ALA 821 Ca 0.59 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 3i3d s ALA 821 Cb -0.29 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 3i3d s ALA 821 CO 0.28 -0.19 1.35 -1.17 0.00 0.00 0.00 175.76 176.04 3i3d s LEU 822 N 1.06 4.32 -0.09 0.00 2.96 -1.26 -0.52 118.68 125.15 3i3d s LEU 822 Ca -0.00 2.07 0.11 0.00 -0.22 0.00 0.00 54.13 56.08 3i3d s LEU 822 Cb -0.15 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 3i3d s LEU 822 CO -0.03 -0.68 0.09 0.18 -1.32 0.00 0.00 176.35 174.60 3i3d n LEU 823 N 5.17 0.00 -3.56 -0.68 4.77 0.70 -4.94 117.00 118.46 3i3d n LEU 823 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 3i3d n LEU 823 Cb 0.44 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 3i3d n LEU 823 CO 0.58 0.21 0.48 -1.58 -1.33 0.00 0.00 177.39 175.75 3i3d s GLN 824 N -2.42 0.93 -0.29 3.23 0.74 -1.00 -4.93 119.66 115.91 3i3d s GLN 824 Ca -0.05 0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.84 3i3d s GLN 824 Cb 0.04 0.44 0.19 0.00 1.10 0.00 0.00 33.01 34.79 3i3d s GLN 824 CO 0.48 -0.24 0.69 0.00 -0.55 0.00 0.00 175.29 175.66 3i3d s THR 826 N 2.86 1.11 -0.06 0.00 -4.23 0.00 -4.99 115.64 110.34 3i3d s THR 826 Ca 0.14 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3i3d s THR 826 Cb -0.10 -1.56 0.01 0.00 1.34 0.00 0.00 72.50 72.19 3i3d s THR 826 CO -0.23 -0.58 -0.14 0.00 -0.54 0.00 0.00 174.62 173.13 3i3d s ALA 827 N -2.64 1.33 0.03 3.99 0.00 -1.26 -0.93 121.76 122.28 3i3d s ALA 827 Ca 0.10 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.62 3i3d s ALA 827 Cb -0.02 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3i3d s ALA 827 CO 0.01 0.16 -0.17 -0.51 0.00 0.00 0.00 175.76 175.25 3i3d s ASP 828 N 0.47 2.03 -0.26 0.00 1.01 0.13 -4.98 116.67 115.07 3i3d s ASP 828 Ca -0.12 -0.46 -0.09 0.00 0.71 0.00 0.00 52.55 52.59 3i3d s ASP 828 Cb -0.14 -0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 3i3d s ASP 828 CO 0.03 0.11 0.14 -0.89 0.21 0.00 0.00 175.17 174.77 3i3d s THR 829 N -0.76 4.95 0.58 -1.27 2.01 -1.26 0.36 115.64 120.25 3i3d s THR 829 Ca 0.05 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.19 3i3d s THR 829 Cb -0.08 -3.33 0.09 0.00 0.01 0.00 0.00 72.50 69.19 3i3d s THR 829 CO 0.01 0.31 0.79 -0.76 -0.69 0.00 0.00 174.62 174.28 3i3d s LEU 830 N 1.52 3.04 0.13 4.42 1.43 0.35 -4.97 118.68 124.60 3i3d s LEU 830 Ca 0.07 -0.90 -0.26 0.00 -1.03 0.00 0.00 54.13 52.00 3i3d s LEU 830 Cb -0.15 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3i3d s LEU 830 CO 0.07 -1.37 1.62 0.00 0.23 0.00 0.00 176.35 176.90 3i3d h ALA 831 N 0.17 -0.36 -0.04 4.21 0.00 -2.02 -3.24 119.26 117.99 3i3d h ALA 831 Ca -0.29 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3i3d h ALA 831 Cb 1.29 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 19.48 3i3d h ALA 831 CO 0.41 -0.77 -0.65 -0.40 0.00 0.00 0.00 179.25 177.84 3i3d n ASP 832 N -5.39 1.68 -3.65 0.00 5.75 -1.26 -5.02 116.55 108.66 3i3d n ASP 832 Ca -0.04 -3.43 -0.02 0.00 -0.01 0.00 0.00 54.79 51.29 3i3d n ASP 832 Cb 0.31 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.50 -1.95 -0.10 2.12 0.00 -1.22 -2.92 121.76 115.19 3i3d s ALA 833 Ca 0.37 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.99 3i3d s ALA 833 Cb 0.38 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3i3d s ALA 833 CO -0.09 -0.94 -0.12 0.08 0.00 0.00 0.00 175.76 174.69 3i3d s VAL 834 N -2.83 3.21 -0.25 0.00 1.01 -0.78 0.13 120.40 120.89 3i3d s VAL 834 Ca 0.12 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3i3d s VAL 834 Cb 0.01 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3i3d s VAL 834 CO -0.02 0.55 -0.10 -0.22 0.00 0.00 0.00 175.10 175.31 3i3d s LEU 835 N -0.17 3.20 -0.28 3.92 2.96 0.16 -1.94 118.68 126.52 3i3d s LEU 835 Ca 0.00 -1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 52.72 3i3d s LEU 835 Cb -0.13 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 3i3d s LEU 835 CO 0.03 -0.15 0.17 -0.63 -1.32 0.00 0.00 176.35 174.46 3i3d s ILE 836 N 1.22 5.17 -0.16 6.68 -1.09 -0.24 -0.70 121.20 132.09 3i3d s ILE 836 Ca -0.03 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.48 3i3d s ILE 836 Cb -0.18 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 3i3d s ILE 836 CO -0.06 0.26 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.96 3i3d s THR 837 N 1.73 3.59 0.20 2.92 2.01 -0.11 -0.22 115.64 125.77 3i3d s THR 837 Ca 0.07 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.64 3i3d s THR 837 Cb -0.16 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3i3d s THR 837 CO 0.10 0.49 -0.00 0.42 -0.69 0.00 0.00 174.62 174.94 3i3d s THR 838 N 0.50 0.87 -0.25 -0.82 -4.23 -0.75 -0.82 115.64 110.14 3i3d s THR 838 Ca -0.05 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.31 3i3d s THR 838 Cb -0.15 -2.23 0.08 0.00 1.34 0.00 0.00 72.50 71.55 3i3d s THR 838 CO 0.03 -0.40 0.61 0.00 -0.54 0.00 0.00 174.62 174.32 3i3d s ALA 839 N -3.53 -1.67 0.16 3.99 0.00 -0.53 -1.65 121.76 118.52 3i3d s ALA 839 Ca 0.26 2.17 0.06 0.00 0.00 0.00 0.00 51.96 54.45 3i3d s ALA 839 Cb 0.06 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 3i3d s ALA 839 CO 0.06 -0.42 -0.13 -1.01 0.00 0.00 0.00 175.76 174.26 3i3d s HIS 840 N 1.75 1.49 -0.07 0.00 3.76 0.34 -0.21 115.29 122.35 3i3d s HIS 840 Ca -0.09 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 3i3d s HIS 840 Cb -0.07 -0.74 0.02 0.00 1.11 0.00 0.00 32.58 32.90 3i3d s HIS 840 CO -0.18 0.21 -0.07 0.00 -0.85 0.00 0.00 174.74 173.84 3i3d s ALA 841 N -2.69 1.04 -0.26 -1.40 0.00 0.33 -1.09 121.76 117.69 3i3d s ALA 841 Ca 0.15 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 3i3d s ALA 841 Cb -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3i3d s ALA 841 CO 0.04 -0.12 0.15 -1.58 0.00 0.00 0.00 175.76 174.25 3i3d s TRP 842 N 1.14 3.20 0.24 0.00 0.51 0.01 0.35 118.94 124.39 3i3d s TRP 842 Ca -0.07 -0.00 0.07 0.00 -2.12 0.00 0.00 56.10 53.98 3i3d s TRP 842 Cb -0.14 -2.30 -0.05 0.00 -0.81 0.00 0.00 33.47 30.16 3i3d s TRP 842 CO -0.01 -0.15 -0.09 -0.65 -0.51 0.00 0.00 176.95 175.54 3i3d s GLN 843 N 1.50 1.42 -0.22 4.98 -0.21 -1.17 -0.25 119.66 125.71 3i3d s GLN 843 Ca 0.07 -1.68 -0.04 0.00 0.02 0.00 0.00 55.36 53.73 3i3d s GLN 843 Cb -0.15 -1.05 0.11 0.00 1.00 0.00 0.00 33.01 32.92 3i3d s GLN 843 CO 0.07 0.08 0.31 -1.58 -2.12 0.00 0.00 175.29 172.05 3i3d s HIS 844 N -3.06 -0.59 -1.28 0.91 2.46 0.00 -3.16 115.29 110.56 3i3d s HIS 844 Ca 0.26 0.67 -0.01 0.00 0.47 0.00 0.00 55.06 56.45 3i3d s HIS 844 Cb 0.02 -0.11 -0.00 0.00 -0.13 0.00 0.00 32.58 32.36 3i3d s HIS 844 CO 0.09 -0.63 0.72 1.04 -2.47 0.00 0.00 174.74 173.49 3i3d n GLN 845 N 5.35 -4.66 0.00 2.88 6.02 -1.26 -2.09 117.38 123.62 3i3d n GLN 845 Ca -0.05 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 3i3d n GLN 845 Cb 0.50 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.59 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 -1.55 3.01 3.72 1.08 0.00 -1.26 -5.01 105.19 105.18 3i3d n GLY 846 Ca -0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.17 4.39 -0.47 1.61 2.47 -0.89 -5.03 119.74 121.65 3i3d s LYS 847 Ca 0.00 0.71 -0.22 0.00 -1.56 0.00 0.00 55.97 54.90 3i3d s LYS 847 Cb 0.00 -3.44 0.03 0.00 -1.46 0.00 0.00 37.83 32.97 3i3d s LYS 847 CO 0.00 0.12 0.75 0.99 0.16 0.00 0.00 175.35 177.37 3i3d s THR 848 N 0.67 4.69 -0.13 3.43 2.01 -1.26 -0.82 115.64 124.23 3i3d s THR 848 Ca 0.33 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.24 3i3d s THR 848 Cb -0.17 -4.32 -0.23 0.00 0.01 0.00 0.00 72.50 67.79 3i3d s THR 848 CO 0.15 -0.77 0.73 -0.07 -0.69 0.00 0.00 174.62 173.97 3i3d h LEU 849 N 10.09 -0.00 -8.27 4.42 3.38 -0.98 -3.42 115.31 120.53 3i3d h LEU 849 Ca -0.26 -0.87 -0.21 0.00 0.09 0.00 0.00 57.88 56.64 3i3d h LEU 849 Cb 1.09 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.67 3i3d h LEU 849 CO 0.96 0.92 -0.70 -0.36 0.09 0.00 0.00 178.44 179.35 3i3d s PHE 850 N -2.29 0.67 -0.06 1.13 0.08 -1.14 -1.90 117.98 114.48 3i3d s PHE 850 Ca -0.17 -0.79 0.01 0.00 0.12 0.00 0.00 56.93 56.10 3i3d s PHE 850 Cb -0.02 -0.42 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 3i3d s PHE 850 CO 0.62 -0.19 -0.06 0.42 -0.10 0.00 0.00 175.22 175.92 3i3d s ILE 851 N -2.83 0.67 -0.16 0.64 1.01 -0.38 -0.81 121.20 119.34 3i3d s ILE 851 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.51 3i3d s ILE 851 Cb -0.00 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.79 3i3d s ILE 851 CO -0.04 0.27 -0.20 -0.55 0.00 0.00 0.00 174.94 174.41 3i3d s SER 852 N 1.06 3.09 -0.17 3.58 0.15 -0.25 -0.22 113.70 120.94 3i3d s SER 852 Ca -0.09 -0.62 -0.00 0.00 0.70 0.00 0.00 55.95 55.94 3i3d s SER 852 Cb -0.14 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 3i3d s SER 852 CO -0.01 0.03 -0.15 -0.13 1.20 0.00 0.00 173.24 174.19 3i3d s ARG 853 N 1.10 3.18 0.26 5.44 0.52 -0.09 -0.50 118.95 128.86 3i3d s ARG 853 Ca -0.00 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.50 3i3d s ARG 853 Cb -0.14 -2.66 -0.06 0.00 0.52 0.00 0.00 34.95 32.61 3i3d s ARG 853 CO -0.08 -0.07 0.01 0.15 0.02 0.00 0.00 175.30 175.33 3i3d s LYS 854 N 1.02 1.44 -0.07 3.54 1.02 -0.66 -0.99 119.74 125.04 3i3d s LYS 854 Ca -0.01 -1.74 -0.03 0.00 0.02 0.00 0.00 55.97 54.20 3i3d s LYS 854 Cb -0.15 -0.73 0.04 0.00 -0.52 0.00 0.00 37.83 36.47 3i3d s LYS 854 CO -0.04 -0.11 0.15 0.95 -0.92 0.00 0.00 175.35 175.39 3i3d s THR 855 N -3.35 -0.05 -0.26 2.17 -4.23 -0.74 -1.81 115.64 107.37 3i3d s THR 855 Ca 0.31 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.96 3i3d s THR 855 Cb 0.06 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.68 3i3d s THR 855 CO 0.11 0.07 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.92 3i3d s TYR 856 N 1.15 3.07 -0.28 3.99 1.51 0.69 -1.24 117.35 126.25 3i3d s TYR 856 Ca -0.09 -1.38 -0.05 0.00 -1.01 0.00 0.00 57.07 54.54 3i3d s TYR 856 Cb -0.11 -2.10 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 3i3d s TYR 856 CO -0.06 -0.68 0.02 0.50 -1.11 0.00 0.00 175.55 174.22 3i3d s ARG 857 N 1.37 2.95 -0.30 -0.62 3.52 -0.15 -1.08 118.95 124.64 3i3d s ARG 857 Ca 0.01 -0.93 -0.06 0.00 -0.13 0.00 0.00 55.73 54.62 3i3d s ARG 857 Cb -0.17 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3i3d s ARG 857 CO -0.03 -0.44 0.08 0.42 -0.81 0.00 0.00 175.30 174.52 3i3d s ILE 858 N 1.42 3.86 0.49 4.11 1.01 -0.82 -0.79 121.20 130.48 3i3d s ILE 858 Ca 0.01 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.91 3i3d s ILE 858 Cb -0.17 -3.04 0.08 0.00 0.01 0.00 0.00 42.46 39.34 3i3d s ILE 858 CO -0.00 0.02 0.67 -0.90 0.00 0.00 0.00 174.94 174.73 3i3d n ASP 859 N 4.84 1.65 0.29 3.58 5.68 -1.08 -1.87 116.55 129.64 3i3d n ASP 859 Ca -0.14 -2.22 0.14 0.00 -0.50 0.00 0.00 54.79 52.07 3i3d n ASP 859 Cb 0.47 -0.37 0.88 0.00 -1.14 0.00 0.00 41.12 40.96 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 0.02 0.00 0.53 6.12 0.00 -1.70 -1.37 103.07 106.67 3i3d h GLY 860 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3i3d h GLY 860 CO 0.31 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.71 3i3d n SER 861 N -3.90 0.08 -0.35 0.19 3.41 -1.26 -4.78 113.62 107.01 3i3d n SER 861 Ca -0.03 -1.42 -0.05 0.00 -0.26 0.00 0.00 58.87 57.12 3i3d n SER 861 Cb 0.09 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.82 0.73 3.82 5.00 0.00 -0.52 -5.01 105.19 110.04 3i3d n GLY 862 Ca 0.14 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.16 3.50 -0.37 1.61 -0.21 -1.26 -4.62 119.66 116.15 3i3d s GLN 863 Ca 0.00 -0.19 -0.08 0.00 0.02 0.00 0.00 55.36 55.11 3i3d s GLN 863 Cb 0.00 -3.17 0.05 0.00 1.00 0.00 0.00 33.01 30.89 3i3d s GLN 863 CO 0.00 0.68 0.17 1.41 -2.12 0.00 0.00 175.29 175.44 3i3d s MET 864 N -0.76 2.64 -0.32 2.91 -2.45 0.32 -2.63 119.30 119.01 3i3d s MET 864 Ca 0.13 -1.25 -0.20 0.00 -1.25 0.00 0.00 55.69 53.12 3i3d s MET 864 Cb -0.12 -3.62 -0.01 0.00 1.25 0.00 0.00 34.83 32.34 3i3d s MET 864 CO 0.03 -0.77 0.61 0.00 1.05 0.00 0.00 175.02 175.94 3i3d s ALA 865 N 1.44 3.50 -0.22 4.11 0.00 0.03 -0.45 121.76 130.17 3i3d s ALA 865 Ca 0.01 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 3i3d s ALA 865 Cb -0.20 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3i3d s ALA 865 CO 0.03 -1.15 0.07 0.42 0.00 0.00 0.00 175.76 175.13 3i3d s ILE 866 N 2.59 4.52 -0.17 0.00 1.01 0.34 -0.98 121.20 128.52 3i3d s ILE 866 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 3i3d s ILE 866 Cb -0.15 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 3i3d s ILE 866 CO 0.13 0.38 -0.07 -0.89 0.00 0.00 0.00 174.94 174.49 3i3d s THR 867 N 1.16 3.48 -0.07 2.92 2.01 -0.37 -0.61 115.64 124.15 3i3d s THR 867 Ca 0.05 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.58 3i3d s THR 867 Cb -0.14 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.85 3i3d s THR 867 CO 0.03 0.48 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.59 3i3d s VAL 868 N 0.67 1.49 -0.15 3.82 1.01 -0.23 -1.79 120.40 125.22 3i3d s VAL 868 Ca -0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3i3d s VAL 868 Cb -0.15 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.96 3i3d s VAL 868 CO 0.02 0.43 -0.04 -1.81 0.00 0.00 0.00 175.10 173.70 3i3d s ASP 869 N 0.49 2.60 -0.00 3.32 1.01 -0.16 -1.71 116.67 122.21 3i3d s ASP 869 Ca -0.15 -0.56 0.05 0.00 0.71 0.00 0.00 52.55 52.61 3i3d s ASP 869 Cb -0.16 -0.82 -0.03 0.00 1.01 0.00 0.00 42.92 42.92 3i3d s ASP 869 CO 0.05 -0.19 -0.15 -0.69 0.21 0.00 0.00 175.17 174.40 3i3d s VAL 870 N 1.70 2.97 -0.11 -1.27 1.01 0.01 -0.91 120.40 123.80 3i3d s VAL 870 Ca 0.02 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3i3d s VAL 870 Cb -0.15 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3i3d s VAL 870 CO -0.08 0.45 -0.12 -1.61 0.00 0.00 0.00 175.10 173.74 3i3d s GLU 871 N -1.14 3.13 -0.14 2.72 2.02 0.70 -1.35 118.70 124.64 3i3d s GLU 871 Ca 0.14 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.47 3i3d s GLU 871 Cb -0.11 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.56 3i3d s GLU 871 CO 0.04 0.35 -0.17 0.08 0.02 0.00 0.00 175.26 175.57 3i3d s VAL 872 N -0.01 1.78 0.11 2.63 1.01 0.84 -1.24 120.40 125.51 3i3d s VAL 872 Ca -0.03 -0.78 -0.34 0.00 0.00 0.00 0.00 61.98 60.82 3i3d s VAL 872 Cb -0.14 -1.62 -0.14 0.00 0.00 0.00 0.00 36.38 34.48 3i3d s VAL 872 CO 0.04 0.49 1.60 0.00 0.00 0.00 0.00 175.10 177.23 3i3d n ALA 873 N 4.45 1.02 0.33 5.51 0.00 -0.80 -4.61 120.51 126.41 3i3d n ALA 873 Ca -0.19 0.43 0.21 0.00 0.00 0.00 0.00 53.44 53.89 3i3d n ALA 873 Cb 0.51 -2.34 1.14 0.00 0.00 0.00 0.00 19.45 18.76 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 6.26 0.00 -0.55 0.00 4.64 -1.93 -2.45 113.55 119.51 3i3d h SER 874 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3i3d h SER 874 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 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 -3.20 3.69 -4.90 4.97 5.75 -1.26 -4.91 116.55 116.69 3i3d n ASP 875 Ca -0.03 -1.99 -0.33 0.00 -0.01 0.00 0.00 54.79 52.43 3i3d n ASP 875 Cb 0.10 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 39.78 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 -1.25 5.42 0.30 2.12 -1.32 -0.93 -5.03 115.64 114.96 3i3d s THR 876 Ca 0.43 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.48 3i3d s THR 876 Cb 0.24 -3.54 -0.12 0.00 -1.51 0.00 0.00 72.50 67.56 3i3d s THR 876 CO 0.32 0.32 1.41 -0.81 -2.21 0.00 0.00 174.62 173.65 3i3d n PRO 877 N 0.94 2.26 -1.60 7.08 -0.04 -1.26 -4.82 135.00 137.55 3i3d n PRO 877 Ca -0.11 0.80 -0.50 0.00 -0.04 0.00 0.00 63.50 63.65 3i3d n PRO 877 Cb 0.53 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 31.48 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 1.22 1.64 -2.06 0.54 8.25 -1.26 -4.91 115.22 118.64 3i3d n HIS 878 Ca 0.07 0.57 -0.37 0.00 -0.26 0.00 0.00 57.72 57.74 3i3d n HIS 878 Cb 0.35 -2.36 0.02 0.00 1.12 0.00 0.00 29.99 29.12 3i3d n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3i3d s PRO 879 N 0.38 3.23 0.46 -0.41 0.04 -1.26 -4.87 135.00 132.57 3i3d s PRO 879 Ca 0.81 1.86 0.20 0.00 0.04 0.00 0.00 61.00 63.92 3i3d s PRO 879 Cb -0.88 -2.11 1.12 0.00 0.04 0.00 0.00 34.50 32.68 3i3d s PRO 879 CO 0.46 -1.01 1.97 0.00 0.04 0.00 0.00 177.00 178.46 3i3d h ALA 880 N 1.29 1.38 -2.64 8.56 0.00 -1.87 -3.41 119.26 122.57 3i3d h ALA 880 Ca -0.50 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.30 3i3d h ALA 880 Cb 1.28 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 3i3d h ALA 880 CO 0.57 0.26 0.36 -0.98 0.00 0.00 0.00 179.25 179.45 3i3d s ARG 881 N -4.25 1.25 -0.31 0.00 1.70 -1.19 -1.12 118.95 115.03 3i3d s ARG 881 Ca -0.03 -0.59 -0.03 0.00 -0.47 0.00 0.00 55.73 54.62 3i3d s ARG 881 Cb 0.14 0.49 0.11 0.00 -0.57 0.00 0.00 34.95 35.12 3i3d s ARG 881 CO 0.65 -0.56 0.16 0.42 -1.08 0.00 0.00 175.30 174.89 3i3d s ILE 882 N -3.50 -0.04 0.00 4.99 1.01 -0.36 -4.13 121.20 119.16 3i3d s ILE 882 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3i3d s ILE 882 Cb -0.02 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.44 3i3d s ILE 882 CO -0.04 -0.78 0.00 0.61 0.00 0.00 0.00 174.94 174.73 3i3d n GLY 883 N 4.94 2.30 3.46 6.18 0.00 -0.98 -0.39 105.19 120.70 3i3d n GLY 883 Ca -0.01 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 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 2.60 0.11 0.99 1.43 0.74 -0.47 118.68 124.08 3i3d s LEU 884 Ca 0.00 -1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 3i3d s LEU 884 Cb 0.00 -0.95 0.04 0.00 0.03 0.00 0.00 46.19 45.31 3i3d s LEU 884 CO 0.00 -0.09 0.44 0.54 0.23 0.00 0.00 176.35 177.47 3i3d s ASN 885 N -3.49 -0.30 -0.14 2.29 4.22 -0.16 -0.89 114.94 116.47 3i3d s ASN 885 Ca 0.29 -0.19 -0.34 0.00 -2.14 0.00 0.00 52.86 50.48 3i3d s ASN 885 Cb -0.02 0.48 0.13 0.00 1.28 0.00 0.00 41.25 43.12 3i3d s ASN 885 CO 0.13 -0.83 1.15 0.00 -2.04 0.00 0.00 177.10 175.51 3i3d s GLN 887 N -2.57 3.15 0.33 0.00 0.74 -1.23 -0.70 119.66 119.37 3i3d s GLN 887 Ca 0.09 -0.85 -0.23 0.00 0.05 0.00 0.00 55.36 54.42 3i3d s GLN 887 Cb -0.01 -3.57 -0.10 0.00 1.10 0.00 0.00 33.01 30.43 3i3d s GLN 887 CO -0.05 -0.50 0.89 -0.51 -0.55 0.00 0.00 175.29 174.57 3i3d s LEU 888 N 1.57 4.24 0.20 3.68 1.43 0.23 -0.08 118.68 129.97 3i3d s LEU 888 Ca 0.03 1.70 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 3i3d s LEU 888 Cb -0.18 -4.05 0.14 0.00 0.03 0.00 0.00 46.19 42.14 3i3d s LEU 888 CO 0.06 -0.12 1.49 0.00 0.23 0.00 0.00 176.35 178.01 3i3d h ALA 889 N 2.91 0.71 -2.92 4.21 0.00 -1.45 0.91 119.26 123.64 3i3d h ALA 889 Ca -0.47 -0.58 -0.53 0.00 0.00 0.00 0.00 54.91 53.32 3i3d h ALA 889 Cb 1.19 -0.08 0.09 0.00 0.00 0.00 0.00 17.79 18.99 3i3d h ALA 889 CO 0.64 0.76 0.70 -1.14 0.00 0.00 0.00 179.25 180.21 3i3d s GLN 890 N -3.66 4.13 -0.31 0.00 2.00 -1.26 -4.31 119.66 116.24 3i3d s GLN 890 Ca -0.05 2.38 -0.02 0.00 -2.00 0.00 0.00 55.36 55.67 3i3d s GLN 890 Cb 0.11 -2.94 0.11 0.00 0.80 0.00 0.00 33.01 31.09 3i3d s GLN 890 CO 0.82 -0.44 0.13 0.08 -0.50 0.00 0.00 175.29 175.38 3i3d s VAL 891 N -1.16 0.43 0.38 1.34 1.01 -1.26 -3.17 120.40 117.97 3i3d s VAL 891 Ca 0.53 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 61.37 3i3d s VAL 891 Cb -0.43 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 3i3d s VAL 891 CO 0.57 -0.74 0.47 0.00 0.00 0.00 0.00 175.10 175.41 3i3d s ALA 892 N 1.72 4.28 0.03 5.51 0.00 -1.26 -5.04 121.76 126.99 3i3d s ALA 892 Ca 0.11 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.47 3i3d s ALA 892 Cb -0.18 -1.50 -0.24 0.00 0.00 0.00 0.00 23.12 21.20 3i3d s ALA 892 CO -0.27 -0.15 0.96 0.93 0.00 0.00 0.00 175.76 177.23 3i3d h GLU 893 N 0.86 0.11 -6.16 0.00 5.08 -2.00 -3.43 114.58 109.04 3i3d h GLU 893 Ca -0.43 -0.19 -0.61 0.00 -1.00 0.00 0.00 59.36 57.13 3i3d h GLU 893 Cb 1.27 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.45 3i3d h GLU 893 CO 0.51 0.94 -0.74 1.03 -1.00 0.00 0.00 179.01 179.75 3i3d s ARG 894 N -2.64 1.73 -0.10 2.33 1.81 -1.26 -0.43 118.95 120.39 3i3d s ARG 894 Ca -0.05 -1.79 -0.01 0.00 -1.72 0.00 0.00 55.73 52.17 3i3d s ARG 894 Cb 0.08 -1.78 0.03 0.00 -0.45 0.00 0.00 34.95 32.84 3i3d s ARG 894 CO 0.84 0.30 -0.01 0.08 -0.68 0.00 0.00 175.30 175.82 3i3d s VAL 895 N -2.52 0.55 -0.10 3.52 1.01 0.23 -4.51 120.40 118.58 3i3d s VAL 895 Ca 0.31 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3i3d s VAL 895 Cb -0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3i3d s VAL 895 CO 0.15 0.22 -0.17 0.21 0.00 0.00 0.00 175.10 175.51 3i3d s ASN 896 N 1.89 3.69 -0.05 3.32 3.84 -0.70 -1.60 114.94 125.33 3i3d s ASN 896 Ca 0.04 -0.38 -0.20 0.00 0.21 0.00 0.00 52.86 52.53 3i3d s ASN 896 Cb -0.13 -1.33 0.04 0.00 -0.55 0.00 0.00 41.25 39.28 3i3d s ASN 896 CO -0.06 0.21 0.46 -1.66 -2.79 0.00 0.00 177.10 173.25 3i3d s TRP 897 N 0.09 -0.39 -0.53 0.43 -2.14 -0.11 0.55 118.94 116.85 3i3d s TRP 897 Ca -0.08 0.70 -0.12 0.00 2.66 0.00 0.00 56.10 59.26 3i3d s TRP 897 Cb -0.15 0.21 0.13 0.00 -3.10 0.00 0.00 33.47 30.56 3i3d s TRP 897 CO 0.05 -0.44 0.44 -1.17 -2.66 0.00 0.00 176.95 173.17 3i3d s LEU 898 N -1.04 5.97 0.00 -4.66 2.96 -0.01 -0.40 118.68 121.50 3i3d s LEU 898 Ca -0.11 -1.93 0.00 0.00 -0.22 0.00 0.00 54.13 51.87 3i3d s LEU 898 Cb -0.03 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.55 3i3d s LEU 898 CO 0.06 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 3i3d n GLY 899 N 4.96 1.28 3.71 7.98 0.00 -0.86 -0.58 105.19 121.69 3i3d n GLY 899 Ca -0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 4.36 0.00 0.99 1.43 -0.88 -1.82 118.68 122.76 3i3d s LEU 900 Ca 0.00 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 3i3d s LEU 900 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3i3d s LEU 900 CO 0.00 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.92 3i3d n GLY 901 N 2.92 1.54 0.15 -3.19 0.00 -0.18 -4.44 105.19 101.99 3i3d n GLY 901 Ca 0.06 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -7.36 1.61 0.13 -1.94 -1.23 132.00 123.21 3i3d h PRO 902 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 3i3d h PRO 902 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 3i3d h PRO 902 CO 0.00 0.00 0.36 -0.65 -0.23 0.00 0.00 178.00 177.48 3i3d s GLN 903 N -3.21 3.12 0.22 0.86 -0.21 -1.26 -5.00 119.66 114.19 3i3d s GLN 903 Ca 0.06 0.46 -0.31 0.00 0.02 0.00 0.00 55.36 55.59 3i3d s GLN 903 Cb 0.09 -2.10 -0.14 0.00 1.00 0.00 0.00 33.01 31.86 3i3d s GLN 903 CO 0.68 -0.80 1.26 -1.91 -2.12 0.00 0.00 175.29 172.41 3i3d n GLU 904 N -2.82 1.62 -3.71 2.91 2.13 -1.26 -4.90 120.64 114.61 3i3d n GLU 904 Ca 0.06 0.58 -0.12 0.00 0.66 0.00 0.00 57.16 58.34 3i3d n GLU 904 Cb 0.56 -2.14 -0.10 0.00 0.27 0.00 0.00 31.44 30.03 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 0.06 -0.48 0.29 4.31 2.20 -0.14 -4.90 114.94 116.28 3i3d s ASN 905 Ca 0.69 0.89 0.10 0.00 -0.94 0.00 0.00 52.86 53.59 3i3d s ASN 905 Cb -0.73 0.84 -0.05 0.00 -2.00 0.00 0.00 41.25 39.32 3i3d s ASN 905 CO 0.52 -0.17 -0.01 -0.31 -2.94 0.00 0.00 177.10 174.20 3i3d s TYR 906 N 0.72 2.61 0.30 1.54 1.51 -0.87 -3.74 117.35 119.43 3i3d s TYR 906 Ca -0.04 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3i3d s TYR 906 Cb -0.05 -1.29 0.71 0.00 -0.11 0.00 0.00 41.96 41.21 3i3d s TYR 906 CO -0.05 0.56 1.57 -1.35 -1.11 0.00 0.00 175.55 175.17 3i3d h PRO 907 N 1.87 0.00 -0.63 -1.71 0.11 -1.85 0.55 132.00 130.34 3i3d h PRO 907 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i3d h PRO 907 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i3d h PRO 907 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3i3d n ASP 908 N -5.52 4.03 -2.93 -2.05 5.75 -1.26 -4.33 116.55 110.24 3i3d n ASP 908 Ca 0.22 -2.36 -0.14 0.00 -0.01 0.00 0.00 54.79 52.50 3i3d n ASP 908 Cb 0.72 -0.52 0.02 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.92 0.87 -0.01 0.11 0.63 0.19 0.37 116.66 119.74 3i3d n ARG 909 Ca 0.22 -2.45 0.00 0.00 -0.92 0.00 0.00 57.85 54.70 3i3d n ARG 909 Cb 0.76 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 32.33 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 0.98 0.19 0.09 6.15 -0.00 -0.95 -2.05 117.00 121.39 3i3d n LEU 910 Ca 0.14 -0.21 -0.00 0.00 -0.00 0.00 0.00 56.01 55.94 3i3d n LEU 910 Cb 0.63 -0.00 0.30 0.00 -0.00 0.00 0.00 43.42 44.35 3i3d n LEU 910 CO 0.11 0.05 0.78 0.71 -0.00 0.00 0.00 177.39 179.04 3i3d h THR 911 N 2.81 1.24 0.00 1.47 1.35 -1.91 -2.93 112.91 114.94 3i3d h THR 911 Ca 0.00 -1.12 -0.13 0.00 -0.55 0.00 0.00 66.41 64.61 3i3d h THR 911 Cb 0.96 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 3i3d h THR 911 CO 0.00 0.34 -0.62 0.00 -0.25 0.00 0.00 175.52 175.00 3i3d h ALA 912 N 1.49 0.77 -2.73 6.62 0.00 -1.88 -3.45 119.26 120.08 3i3d h ALA 912 Ca 0.04 -0.56 -0.53 0.00 0.00 0.00 0.00 54.91 53.87 3i3d h ALA 912 Cb 0.57 -0.10 0.12 0.00 0.00 0.00 0.00 17.79 18.38 3i3d h ALA 912 CO 0.04 0.77 0.43 0.00 0.00 0.00 0.00 179.25 180.49 3i3d s ALA 913 N -3.26 2.40 0.06 0.00 0.00 -1.11 -5.01 121.76 114.84 3i3d s ALA 913 Ca 0.01 0.90 0.09 0.00 0.00 0.00 0.00 51.96 52.96 3i3d s ALA 913 Cb 0.10 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3i3d s ALA 913 CO 0.75 -1.39 -0.26 0.00 0.00 0.00 0.00 175.76 174.86 3i3d s PHE 915 N -0.84 3.42 -0.01 0.00 5.36 -1.26 -1.01 117.98 123.64 3i3d s PHE 915 Ca 0.12 1.38 -0.13 0.00 -0.96 0.00 0.00 56.93 57.33 3i3d s PHE 915 Cb -0.10 -3.11 0.04 0.00 -0.34 0.00 0.00 43.02 39.51 3i3d s PHE 915 CO 0.03 -0.29 0.60 -3.47 -1.46 0.00 0.00 175.22 170.63 3i3d n ASP 916 N 5.44 -0.57 -4.56 6.13 -0.08 -0.76 -4.92 116.55 117.24 3i3d n ASP 916 Ca 0.07 -1.12 -0.42 0.00 -1.51 0.00 0.00 54.79 51.81 3i3d n ASP 916 Cb 0.48 0.89 -0.07 0.00 2.34 0.00 0.00 41.12 44.76 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 3.60 0.08 -0.67 6.06 -1.26 -2.03 118.95 122.72 3i3d s ARG 917 Ca 0.14 -0.05 0.05 0.00 -2.50 0.00 0.00 55.73 53.38 3i3d s ARG 917 Cb -0.00 -3.84 -0.04 0.00 0.06 0.00 0.00 34.95 31.13 3i3d s ARG 917 CO -0.00 -0.78 -0.06 -1.58 -2.50 0.00 0.00 175.30 170.38 3i3d s TRP 918 N 2.70 2.85 -0.22 5.12 0.52 0.46 -4.97 118.94 125.41 3i3d s TRP 918 Ca 0.23 -0.09 -0.04 0.00 0.02 0.00 0.00 56.10 56.23 3i3d s TRP 918 Cb -0.14 -1.51 0.10 0.00 -1.15 0.00 0.00 33.47 30.77 3i3d s TRP 918 CO 0.15 0.43 0.23 0.34 0.02 0.00 0.00 176.95 178.12 3i3d s ASP 919 N -2.05 1.48 0.20 2.95 2.15 -1.26 -0.94 116.67 119.21 3i3d s ASP 919 Ca 0.22 -0.32 0.06 0.00 0.43 0.00 0.00 52.55 52.93 3i3d s ASP 919 Cb -0.11 0.38 -0.05 0.00 -0.30 0.00 0.00 42.92 42.84 3i3d s ASP 919 CO 0.14 -0.34 -0.09 -0.76 -0.17 0.00 0.00 175.17 173.95 3i3d s LEU 920 N 2.32 2.47 0.52 -1.34 1.43 -0.63 -4.96 118.68 118.50 3i3d s LEU 920 Ca 0.07 -1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.90 3i3d s LEU 920 Cb -0.16 -0.49 -0.07 0.00 0.03 0.00 0.00 46.19 45.51 3i3d s LEU 920 CO -0.16 -0.31 1.07 -2.16 0.23 0.00 0.00 176.35 175.02 3i3d s PRO 921 N -3.73 3.56 0.28 1.29 0.04 -1.26 -0.60 135.00 134.59 3i3d s PRO 921 Ca 0.23 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.70 3i3d s PRO 921 Cb 0.02 -2.05 0.68 0.00 0.04 0.00 0.00 34.50 33.19 3i3d s PRO 921 CO 0.06 -0.64 1.70 1.25 0.04 0.00 0.00 177.00 179.41 3i3d h LEU 922 N 1.23 0.31 -1.83 -3.56 5.85 -1.01 -1.55 115.31 114.75 3i3d h LEU 922 Ca -0.49 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.50 3i3d h LEU 922 Cb 1.23 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 3i3d h LEU 922 CO 0.58 0.02 0.38 0.77 -0.34 0.00 0.00 178.44 179.84 3i3d h SER 923 N 0.41 0.16 0.70 1.25 4.64 -1.91 0.30 113.55 119.10 3i3d h SER 923 Ca 0.54 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3i3d h SER 923 Cb 0.99 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3i3d h SER 923 CO -0.51 0.09 0.00 0.47 -0.87 0.00 0.00 176.83 176.01 3i3d n ASP 924 N -4.43 0.14 -0.39 4.97 8.00 -0.58 -2.43 116.55 121.83 3i3d n ASP 924 Ca 0.09 0.53 0.07 0.00 0.71 0.00 0.00 54.79 56.19 3i3d n ASP 924 Cb 0.49 -0.56 0.28 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.65 1.50 -4.69 -1.24 2.81 0.10 -4.72 117.12 109.23 3i3d n MET 925 Ca 0.04 -0.77 -0.27 0.00 -1.81 0.00 0.00 57.70 54.90 3i3d n MET 925 Cb 0.23 -1.28 -0.17 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.78 1.75 -0.30 2.03 5.04 -1.02 -4.39 117.35 118.67 3i3d s TYR 926 Ca 0.24 -0.69 -0.12 0.00 -2.44 0.00 0.00 57.07 54.06 3i3d s TYR 926 Cb 0.12 -1.25 -0.04 0.00 0.35 0.00 0.00 41.96 41.15 3i3d s TYR 926 CO 0.18 -0.33 0.21 0.99 -1.34 0.00 0.00 175.55 175.25 3i3d s THR 927 N 0.65 5.30 -0.46 4.34 2.01 -1.26 -4.98 115.64 121.24 3i3d s THR 927 Ca -0.14 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 3i3d s THR 927 Cb -0.16 -3.59 -0.12 0.00 0.01 0.00 0.00 72.50 68.64 3i3d s THR 927 CO 0.04 0.17 2.40 -0.81 -0.69 0.00 0.00 174.62 175.73 3i3d n PRO 928 N 5.07 1.77 -1.74 4.92 -0.04 -1.26 -4.90 135.00 138.83 3i3d n PRO 928 Ca -0.14 -1.06 -0.42 0.00 -0.04 0.00 0.00 63.50 61.84 3i3d n PRO 928 Cb 0.51 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 31.83 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 3.30 2.85 -0.17 0.54 4.02 -1.26 -4.86 117.16 121.58 3i3d n TYR 929 Ca 0.38 0.22 -0.01 0.00 -0.01 0.00 0.00 57.90 58.48 3i3d n TYR 929 Cb 0.40 -2.61 0.08 0.00 -0.02 0.00 0.00 39.34 37.18 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 3.42 0.68 -3.22 -0.72 2.07 -1.96 -3.26 116.25 113.26 3i3d h VAL 930 Ca -0.46 -0.08 -0.68 0.00 0.82 0.00 0.00 66.70 66.30 3i3d h VAL 930 Cb 1.22 0.43 -0.18 0.00 -1.52 0.00 0.00 31.29 31.24 3i3d h VAL 930 CO 0.82 0.04 0.10 0.12 0.02 0.00 0.00 177.57 178.67 3i3d s PHE 931 N -6.13 3.02 0.43 1.57 5.36 -1.26 -1.21 117.98 119.75 3i3d s PHE 931 Ca -0.13 -0.52 -0.24 0.00 -0.96 0.00 0.00 56.93 55.08 3i3d s PHE 931 Cb 0.16 -3.63 -0.10 0.00 -0.34 0.00 0.00 43.02 39.12 3i3d s PHE 931 CO 0.73 -1.09 1.02 -2.30 -1.46 0.00 0.00 175.22 172.13 3i3d n PRO 932 N 6.31 1.36 -3.89 10.12 -0.02 -1.23 -4.96 135.00 142.69 3i3d n PRO 932 Ca -0.06 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 61.90 3i3d n PRO 932 Cb 0.45 -2.07 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.76 -0.01 0.24 2.55 1.04 -1.26 -4.77 113.70 110.73 3i3d s SER 933 Ca 0.64 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.31 3i3d s SER 933 Cb -0.54 0.35 -0.14 0.00 0.10 0.00 0.00 66.02 65.78 3i3d s SER 933 CO 0.56 -0.69 1.19 1.21 0.98 0.00 0.00 173.24 176.49 3i3d n GLU 934 N -0.74 1.55 -3.70 4.02 4.07 -0.72 -4.93 120.64 120.19 3i3d n GLU 934 Ca -0.01 0.55 -0.06 0.00 -0.06 0.00 0.00 57.16 57.58 3i3d n GLU 934 Cb 0.59 -2.05 -0.02 0.00 -0.06 0.00 0.00 31.44 29.90 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 -0.13 -0.25 0.00 4.31 2.20 -1.26 -4.92 114.94 114.88 3i3d s ASN 935 Ca 0.65 -0.33 0.00 0.00 -0.94 0.00 0.00 52.86 52.24 3i3d s ASN 935 Cb -0.72 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.05 3i3d s ASN 935 CO 0.55 -0.93 0.00 0.61 -2.94 0.00 0.00 177.10 174.39 3i3d n GLY 936 N -0.42 1.21 3.61 0.45 0.00 -1.26 -4.83 105.19 103.95 3i3d n GLY 936 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 3.67 -3.81 0.99 7.94 -1.26 -4.56 117.00 119.98 3i3d n LEU 937 Ca 0.00 0.74 -0.20 0.00 -1.11 0.00 0.00 56.01 55.44 3i3d n LEU 937 Cb 0.00 -1.40 -0.17 0.00 0.53 0.00 0.00 43.42 42.38 3i3d n LEU 937 CO 0.00 -1.95 -0.38 -0.13 -1.11 0.00 0.00 177.39 173.82 3i3d s ARG 938 N -3.03 0.48 0.56 1.96 3.00 0.12 -0.97 118.95 121.07 3i3d s ARG 938 Ca 0.75 0.07 0.07 0.00 0.00 0.00 0.00 55.73 56.62 3i3d s ARG 938 Cb -0.38 -0.72 0.07 0.00 0.00 0.00 0.00 34.95 33.92 3i3d s ARG 938 CO 0.48 -0.19 0.77 0.00 0.00 0.00 0.00 175.30 176.36 3i3d n GLY 940 N -2.26 -0.37 3.77 0.00 0.00 -1.19 -2.08 105.19 103.07 3i3d n GLY 940 Ca 0.13 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 -3.54 5.24 -0.34 2.61 2.01 -0.28 -3.71 115.64 117.64 3i3d s THR 941 Ca 0.46 0.65 0.14 0.00 0.31 0.00 0.00 61.69 63.25 3i3d s THR 941 Cb -0.25 -3.66 -0.18 0.00 0.01 0.00 0.00 72.50 68.42 3i3d s THR 941 CO 0.90 0.46 0.44 0.54 -0.69 0.00 0.00 174.62 176.27 3i3d n ARG 942 N 2.94 1.49 -3.67 4.92 5.12 0.26 -1.27 116.66 126.45 3i3d n ARG 942 Ca -0.13 -0.06 -0.10 0.00 -1.93 0.00 0.00 57.85 55.63 3i3d n ARG 942 Cb 0.52 -1.23 -0.08 0.00 -1.16 0.00 0.00 32.46 30.50 3i3d n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3i3d s GLU 943 N -2.62 0.62 -0.03 5.56 2.12 -1.16 -1.49 118.70 121.70 3i3d s GLU 943 Ca 0.00 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.34 3i3d s GLU 943 Cb 0.10 0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 3i3d s GLU 943 CO 0.57 -0.13 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.83 3i3d s LEU 944 N 1.12 1.94 -0.08 2.70 2.96 0.43 -0.83 118.68 126.92 3i3d s LEU 944 Ca -0.06 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3i3d s LEU 944 Cb -0.06 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.80 3i3d s LEU 944 CO -0.11 0.16 -0.08 0.20 -1.32 0.00 0.00 176.35 175.19 3i3d s ASN 945 N -0.09 1.80 -0.12 3.68 0.01 0.19 -1.20 114.94 119.21 3i3d s ASN 945 Ca -0.00 -0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 51.85 3i3d s ASN 945 Cb -0.09 -0.75 0.06 0.00 0.41 0.00 0.00 41.25 40.88 3i3d s ASN 945 CO 0.01 -0.06 0.22 -0.47 -1.51 0.00 0.00 177.10 175.29 3i3d s TYR 946 N 1.22 -0.32 0.00 2.20 5.04 -0.69 -1.71 117.35 123.09 3i3d s TYR 946 Ca -0.05 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 3i3d s TYR 946 Cb -0.14 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.01 3i3d s TYR 946 CO -0.02 -0.35 0.00 0.41 -1.34 0.00 0.00 175.55 174.24 3i3d n GLY 947 N 5.34 3.64 0.04 8.97 0.00 -1.26 -1.02 105.19 120.89 3i3d n GLY 947 Ca -0.05 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.17 -3.06 1.61 -0.04 -1.26 -4.90 135.00 141.52 3i3d n PRO 948 Ca 0.00 -0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 63.03 3i3d n PRO 948 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.89 3.57 -0.02 0.54 3.76 -0.19 0.26 115.29 120.31 3i3d s HIS 949 Ca 0.15 1.41 -0.00 0.00 -0.15 0.00 0.00 55.06 56.46 3i3d s HIS 949 Cb 0.18 -2.65 0.03 0.00 1.11 0.00 0.00 32.58 31.25 3i3d s HIS 949 CO 0.63 0.24 0.03 -1.14 -0.85 0.00 0.00 174.74 173.64 3i3d s GLN 950 N -2.30 -0.00 -0.08 1.40 0.74 -0.27 -1.70 119.66 117.45 3i3d s GLN 950 Ca 0.48 0.20 0.05 0.00 0.05 0.00 0.00 55.36 56.13 3i3d s GLN 950 Cb -0.15 -0.31 -0.01 0.00 1.10 0.00 0.00 33.01 33.64 3i3d s GLN 950 CO 0.20 -0.19 -0.23 -1.58 -0.55 0.00 0.00 175.29 172.94 3i3d s TRP 951 N 1.22 2.53 0.08 1.67 0.51 -0.34 -1.23 118.94 123.37 3i3d s TRP 951 Ca -0.07 -0.84 0.07 0.00 -2.12 0.00 0.00 56.10 53.13 3i3d s TRP 951 Cb -0.13 -1.67 -0.03 0.00 -0.81 0.00 0.00 33.47 30.83 3i3d s TRP 951 CO -0.03 -0.29 -0.18 1.03 -0.51 0.00 0.00 176.95 176.97 3i3d s ARG 952 N 0.08 1.01 0.00 4.98 0.52 -0.38 -0.43 118.95 124.73 3i3d s ARG 952 Ca -0.10 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 3i3d s ARG 952 Cb -0.16 -1.14 0.00 0.00 0.52 0.00 0.00 34.95 34.18 3i3d s ARG 952 CO 0.06 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.06 3i3d n GLY 953 N 1.32 -0.27 2.83 -3.53 0.00 -0.55 -1.37 105.19 103.62 3i3d n GLY 953 Ca -0.20 -0.45 -0.12 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 0.27 1.61 2.15 -1.23 -4.03 116.67 111.76 3i3d s ASP 954 Ca 0.00 -1.56 0.06 0.00 0.43 0.00 0.00 52.55 51.48 3i3d s ASP 954 Cb 0.00 0.93 -0.02 0.00 -0.30 0.00 0.00 42.92 43.52 3i3d s ASP 954 CO 0.00 -0.21 0.20 2.22 -0.17 0.00 0.00 175.17 177.21 3i3d n PHE 955 N 4.02 -0.50 -4.37 -5.34 1.16 -0.40 -4.89 117.46 107.14 3i3d n PHE 955 Ca 0.14 -2.17 -0.26 0.00 -1.87 0.00 0.00 57.45 53.28 3i3d n PHE 955 Cb 0.49 0.19 -0.10 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 -3.09 1.79 0.04 3.97 -1.52 -0.03 -1.12 119.66 119.70 3i3d s GLN 956 Ca 0.29 -1.44 -0.27 0.00 -1.95 0.00 0.00 55.36 51.98 3i3d s GLN 956 Cb 0.01 -1.98 0.08 0.00 -0.22 0.00 0.00 33.01 30.91 3i3d s GLN 956 CO 0.20 0.40 0.72 -0.59 -0.25 0.00 0.00 175.29 175.78 3i3d s PHE 957 N -1.81 -0.51 0.01 0.91 -0.12 -0.37 -0.52 117.98 115.57 3i3d s PHE 957 Ca 0.24 0.53 -0.03 0.00 -0.05 0.00 0.00 56.93 57.61 3i3d s PHE 957 Cb -0.08 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.81 3i3d s PHE 957 CO 0.13 -0.67 0.05 0.54 -0.05 0.00 0.00 175.22 175.22 3i3d s ASN 958 N -2.15 0.12 -0.12 1.98 2.20 -0.93 0.12 114.94 116.16 3i3d s ASN 958 Ca -0.01 -0.32 -0.05 0.00 -0.94 0.00 0.00 52.86 51.53 3i3d s ASN 958 Cb -0.01 0.15 0.06 0.00 -2.00 0.00 0.00 41.25 39.45 3i3d s ASN 958 CO -0.05 -0.31 0.27 -0.51 -2.94 0.00 0.00 177.10 173.56 3i3d s ILE 959 N -1.30 -0.26 0.26 0.54 2.07 -1.26 -2.22 121.20 119.04 3i3d s ILE 959 Ca -0.14 0.22 -0.09 0.00 -1.41 0.00 0.00 60.65 59.22 3i3d s ILE 959 Cb -0.08 -0.44 0.04 0.00 0.13 0.00 0.00 42.46 42.11 3i3d s ILE 959 CO 0.00 0.09 0.52 -1.54 -1.91 0.00 0.00 174.94 172.10 3i3d n SER 960 N 4.86 -1.51 -0.75 4.50 3.41 -0.79 -4.63 113.62 118.72 3i3d n SER 960 Ca -0.15 -2.09 0.09 0.00 -0.26 0.00 0.00 58.87 56.47 3i3d n SER 960 Cb 0.51 2.53 0.27 0.00 -0.26 0.00 0.00 64.21 67.26 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 -0.36 1.97 -5.03 4.33 5.12 -1.26 0.57 116.66 122.00 3i3d n ARG 961 Ca -0.06 -1.48 -0.32 0.00 -1.93 0.00 0.00 57.85 54.07 3i3d n ARG 961 Cb 0.40 -1.39 -0.17 0.00 -1.16 0.00 0.00 32.46 30.14 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 -1.58 2.61 0.60 -1.55 1.51 -1.26 -1.07 117.35 116.60 3i3d s TYR 962 Ca 0.32 -1.12 -0.13 0.00 -1.01 0.00 0.00 57.07 55.13 3i3d s TYR 962 Cb 0.17 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 3i3d s TYR 962 CO 0.24 -0.47 1.02 -1.54 -1.11 0.00 0.00 175.55 173.69 3i3d s SER 963 N 0.49 6.27 0.49 2.29 1.04 -1.26 -4.82 113.70 118.20 3i3d s SER 963 Ca -0.15 1.48 0.15 0.00 0.48 0.00 0.00 55.95 57.92 3i3d s SER 963 Cb -0.17 -2.48 1.18 0.00 0.10 0.00 0.00 66.02 64.64 3i3d s SER 963 CO 0.05 -0.84 2.09 1.56 0.98 0.00 0.00 173.24 177.08 3i3d h GLN 964 N 0.01 0.16 -0.34 4.02 1.08 -1.99 -2.04 115.11 116.00 3i3d h GLN 964 Ca -0.45 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 56.64 3i3d h GLN 964 Cb 1.19 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 3i3d h GLN 964 CO 0.61 0.10 -0.18 0.37 -0.95 0.00 0.00 178.83 178.79 3i3d h GLN 965 N 0.16 0.73 -0.10 1.46 4.15 -1.98 -1.58 115.11 117.94 3i3d h GLN 965 Ca 0.10 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 3i3d h GLN 965 Cb 0.21 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 3i3d h GLN 965 CO -0.02 0.93 -0.00 0.37 -1.93 0.00 0.00 178.83 178.18 3i3d h GLN 966 N 0.50 0.18 -0.92 1.69 4.15 -1.76 -1.96 115.11 116.99 3i3d h GLN 966 Ca 0.08 -0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.57 3i3d h GLN 966 Cb 0.72 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.32 3i3d h GLN 966 CO 0.05 0.45 0.59 -0.07 -1.93 0.00 0.00 178.83 177.92 3i3d h LEU 967 N -0.10 0.73 -1.03 -2.39 3.38 -1.42 0.12 115.31 114.60 3i3d h LEU 967 Ca 0.03 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3i3d h LEU 967 Cb 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3i3d h LEU 967 CO 0.01 0.37 -0.28 -0.03 0.09 0.00 0.00 178.44 178.60 3i3d h MET 968 N 0.77 0.00 -0.00 1.13 4.05 -1.05 -3.22 114.93 116.61 3i3d h MET 968 Ca 0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.88 3i3d h MET 968 Cb 0.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 3i3d h MET 968 CO -0.23 0.28 -0.92 0.39 0.23 0.00 0.00 176.91 176.66 3i3d n GLU 969 N -3.44 0.48 -3.74 0.39 1.02 -0.13 -4.94 120.64 110.28 3i3d n GLU 969 Ca 0.00 -0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.75 3i3d n GLU 969 Cb 0.46 -1.44 -0.09 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.85 5.26 -0.22 2.62 2.01 -0.29 -5.00 115.64 117.17 3i3d s THR 970 Ca 0.08 0.14 0.18 0.00 0.31 0.00 0.00 61.69 62.40 3i3d s THR 970 Cb 0.15 -3.42 0.07 0.00 0.01 0.00 0.00 72.50 69.31 3i3d s THR 970 CO 0.80 0.40 1.31 0.77 -0.69 0.00 0.00 174.62 177.21 3i3d h SER 971 N 7.10 0.00 -4.23 3.53 4.64 -1.91 -3.37 113.55 119.31 3i3d h SER 971 Ca -0.39 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.54 3i3d h SER 971 Cb 1.16 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.99 3i3d h SER 971 CO 0.70 0.35 -0.78 -1.00 -0.87 0.00 0.00 176.83 175.24 3i3d s HIS 972 N -3.05 0.94 0.46 4.77 3.76 -1.26 -4.42 115.29 116.48 3i3d s HIS 972 Ca 0.03 -0.27 0.19 0.00 -0.15 0.00 0.00 55.06 54.86 3i3d s HIS 972 Cb 0.07 -0.58 1.19 0.00 1.11 0.00 0.00 32.58 34.38 3i3d s HIS 972 CO 0.75 -0.01 2.05 0.07 -0.85 0.00 0.00 174.74 176.75 3i3d h ARG 973 N 5.39 0.00 0.00 1.40 0.11 -1.37 -2.16 114.38 117.74 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 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3i3d h ARG 973 CO 0.46 0.14 0.00 -2.39 0.10 0.00 0.00 179.97 178.28 3i3d n HIS 974 N -4.15 0.40 1.24 4.08 1.44 -1.26 -2.48 115.22 114.49 3i3d n HIS 974 Ca -0.02 0.14 0.13 0.00 -2.01 0.00 0.00 57.72 55.95 3i3d n HIS 974 Cb 0.22 -0.73 0.35 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 -1.85 1.21 -4.78 2.39 4.77 -0.81 -4.92 117.00 113.01 3i3d n LEU 975 Ca 0.04 -0.35 -0.36 0.00 -0.03 0.00 0.00 56.01 55.31 3i3d n LEU 975 Cb 0.27 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3i3d n LEU 975 CO 0.21 0.22 0.76 -0.76 -1.33 0.00 0.00 177.39 176.49 3i3d s LEU 976 N -2.44 4.05 -0.02 2.23 1.43 -1.03 -5.05 118.68 117.84 3i3d s LEU 976 Ca 0.25 2.09 0.03 0.00 -1.03 0.00 0.00 54.13 55.47 3i3d s LEU 976 Cb 0.19 -4.27 -0.00 0.00 0.03 0.00 0.00 46.19 42.14 3i3d s LEU 976 CO 0.50 -0.67 -0.09 -1.38 0.23 0.00 0.00 176.35 174.95 3i3d s HIS 977 N -1.69 0.85 0.23 0.29 -3.43 -1.26 -5.10 115.29 105.19 3i3d s HIS 977 Ca 0.61 -0.18 -0.31 0.00 -0.80 0.00 0.00 55.06 54.38 3i3d s HIS 977 Cb -0.23 -0.58 -0.11 0.00 -1.43 0.00 0.00 32.58 30.24 3i3d s HIS 977 CO 0.28 -0.05 1.54 0.00 -2.00 0.00 0.00 174.74 174.51 3i3d s ALA 978 N -0.02 3.73 0.42 -1.38 0.00 -1.26 -4.82 121.76 118.43 3i3d s ALA 978 Ca 0.00 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.41 3i3d s ALA 978 Cb -0.06 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 3i3d s ALA 978 CO -0.00 -0.83 0.63 -1.21 0.00 0.00 0.00 175.76 174.34 3i3d s GLU 979 N 0.15 3.12 0.42 0.00 2.02 -0.23 -5.04 118.70 119.14 3i3d s GLU 979 Ca 0.65 -0.54 -0.26 0.00 0.02 0.00 0.00 54.97 54.83 3i3d s GLU 979 Cb -0.45 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.08 3i3d s GLU 979 CO 0.40 -0.18 1.45 -2.00 0.02 0.00 0.00 175.26 174.96 3i3d s GLU 980 N -4.47 3.86 2.54 1.61 2.12 -1.26 -4.72 118.70 118.37 3i3d s GLU 980 Ca 0.47 2.48 0.00 0.00 0.36 0.00 0.00 54.97 58.28 3i3d s GLU 980 Cb -0.10 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.51 3i3d s GLU 980 CO 0.37 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 3i3d n GLY 981 N 0.53 -0.01 3.07 -1.50 0.00 -1.26 -4.83 105.19 101.19 3i3d n GLY 981 Ca 0.03 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 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 1.23 -0.15 2.61 2.01 0.31 -4.72 115.64 116.94 3i3d s THR 982 Ca 0.00 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 3i3d s THR 982 Cb 0.00 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3i3d s THR 982 CO 0.00 0.37 0.67 0.26 -0.69 0.00 0.00 174.62 175.22 3i3d s TRP 983 N 0.33 3.46 -0.12 4.92 0.52 0.19 0.78 118.94 129.02 3i3d s TRP 983 Ca -0.09 1.07 0.02 0.00 0.02 0.00 0.00 56.10 57.12 3i3d s TRP 983 Cb -0.13 -2.81 -0.01 0.00 -1.15 0.00 0.00 33.47 29.38 3i3d s TRP 983 CO 0.03 -0.07 -0.18 -1.17 0.02 0.00 0.00 176.95 175.57 3i3d s LEU 984 N 1.48 2.39 -0.24 2.99 2.96 0.13 -1.88 118.68 126.51 3i3d s LEU 984 Ca 0.32 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3i3d s LEU 984 Cb -0.16 -1.51 0.05 0.00 0.50 0.00 0.00 46.19 45.07 3i3d s LEU 984 CO 0.13 0.15 -0.11 0.20 -1.32 0.00 0.00 176.35 175.40 3i3d s ASN 985 N 0.43 4.04 -0.24 3.68 0.01 -0.94 -1.63 114.94 120.28 3i3d s ASN 985 Ca -0.13 -1.20 -0.03 0.00 -0.71 0.00 0.00 52.86 50.79 3i3d s ASN 985 Cb -0.17 -1.43 0.01 0.00 0.41 0.00 0.00 41.25 40.07 3i3d s ASN 985 CO 0.06 -0.17 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.80 3i3d s ILE 986 N 1.22 3.09 0.02 0.60 1.01 -0.07 -2.20 121.20 124.86 3i3d s ILE 986 Ca -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3i3d s ILE 986 Cb -0.18 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3i3d s ILE 986 CO -0.07 0.28 -0.01 -1.81 0.00 0.00 0.00 174.94 173.33 3i3d s ASP 987 N 1.39 5.01 0.03 3.58 1.01 0.32 -0.18 116.67 127.83 3i3d s ASP 987 Ca 0.02 -0.07 0.04 0.00 0.71 0.00 0.00 52.55 53.26 3i3d s ASP 987 Cb -0.16 -1.26 -0.24 0.00 1.01 0.00 0.00 42.92 42.27 3i3d s ASP 987 CO -0.04 0.26 0.96 1.23 0.21 0.00 0.00 175.17 177.79 3i3d h GLY 988 N 4.20 0.12 -4.84 0.21 0.00 -1.01 -0.05 103.07 101.69 3i3d h GLY 988 Ca -0.49 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 46.41 3i3d h GLY 988 CO 0.57 0.26 -0.40 -1.36 0.00 0.00 0.00 176.54 175.61 3i3d s PHE 989 N -2.65 -0.12 -0.00 5.60 0.40 -1.05 -4.72 117.98 115.44 3i3d s PHE 989 Ca -0.04 0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 3i3d s PHE 989 Cb 0.08 0.04 0.01 0.00 0.51 0.00 0.00 43.02 43.66 3i3d s PHE 989 CO 0.83 -0.28 0.00 -1.58 0.70 0.00 0.00 175.22 174.90 3i3d s HIS 990 N -0.94 0.06 0.61 0.36 2.46 -1.26 -1.22 115.29 115.35 3i3d s HIS 990 Ca -0.10 0.01 -0.16 0.00 0.47 0.00 0.00 55.06 55.28 3i3d s HIS 990 Cb -0.05 -0.08 -0.02 0.00 -0.13 0.00 0.00 32.58 32.29 3i3d s HIS 990 CO 0.02 -0.02 1.11 1.41 -2.47 0.00 0.00 174.74 174.79 3i3d s MET 991 N 0.21 3.05 1.04 2.88 1.75 -0.28 -4.76 119.30 123.19 3i3d s MET 991 Ca -0.02 1.43 -0.12 0.00 -1.25 0.00 0.00 55.69 55.73 3i3d s MET 991 Cb -0.03 -1.98 0.21 0.00 2.84 0.00 0.00 34.83 35.87 3i3d s MET 991 CO -0.01 -1.06 1.07 0.20 -0.65 0.00 0.00 175.02 174.57 3i3d s GLY 992 N -2.37 1.58 -0.05 2.11 0.00 -0.53 -4.75 107.32 103.32 3i3d s GLY 992 Ca 0.68 -0.07 0.21 0.00 0.00 0.00 0.00 44.72 45.54 3i3d s GLY 992 CO 0.36 0.54 0.43 0.29 0.00 0.00 0.00 173.10 174.72 3i3d n ILE 993 N -4.44 0.14 -4.54 0.90 -5.35 -1.26 -4.95 119.36 99.86 3i3d n ILE 993 Ca 0.06 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3i3d n ILE 993 Cb 0.55 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 -0.53 0.00 3.28 0.00 -1.26 -4.75 105.19 103.26 3i3d n GLY 994 Ca -0.07 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.22 0.51 -0.02 0.00 -1.26 -0.60 105.19 103.60 3i3d n GLY 995 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.36 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 0.12 -5.07 1.61 3.32 -1.79 -1.26 116.42 113.35 3i3d h ASP 996 Ca 0.00 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.15 3i3d h ASP 996 Cb 0.00 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3i3d h ASP 996 CO 0.00 0.01 0.30 1.51 -1.72 0.00 0.00 179.24 179.33 3i3d s ASP 997 N -5.04 -0.18 -0.22 6.45 1.47 -1.26 -4.05 116.67 113.83 3i3d s ASP 997 Ca -0.06 -0.69 0.13 0.00 1.18 0.00 0.00 52.55 53.11 3i3d s ASP 997 Cb 0.24 0.70 0.45 0.00 -0.34 0.00 0.00 42.92 43.98 3i3d s ASP 997 CO 0.81 -1.33 1.19 -1.20 0.68 0.00 0.00 175.17 175.32 3i3d n SER 998 N -0.69 2.86 0.00 2.11 7.64 -1.26 -4.69 113.62 119.59 3i3d n SER 998 Ca -0.05 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.48 3i3d n SER 998 Cb 0.59 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.69 0.00 -3.51 1.43 2.14 -1.26 -4.16 117.44 111.39 3i3d n TRP 999 Ca 0.25 -0.07 -0.15 0.00 2.07 0.00 0.00 57.50 59.60 3i3d n TRP 999 Cb 0.87 -0.01 -0.05 0.00 -0.81 0.00 0.00 31.31 31.32 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 -0.15 -0.56 -0.04 -0.67 1.04 -1.26 -4.57 113.70 107.49 3i3d s SER 1000Ca 0.00 0.35 -0.36 0.00 0.48 0.00 0.00 55.95 56.42 3i3d s SER 1000Cb 0.00 0.54 -0.14 0.00 0.10 0.00 0.00 66.02 66.51 3i3d s SER 1000CO 0.00 -0.74 1.65 -2.65 0.98 0.00 0.00 173.24 172.48 3i3d n PRO 1001N 0.42 1.65 0.00 4.02 -0.02 -1.26 -4.83 135.00 134.97 3i3d n PRO 1001Ca -0.18 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3i3d n PRO 1001Cb 0.60 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 4.61 1.29 -4.65 2.55 3.41 -1.26 -5.01 113.62 114.57 3i3d n SER 1002Ca 0.21 -1.58 -0.42 0.00 -0.26 0.00 0.00 58.87 56.82 3i3d n SER 1002Cb 0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3i3d n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i3d s VAL 1003N -0.58 4.76 0.61 -3.33 1.01 -1.26 -4.22 120.40 117.39 3i3d s VAL 1003Ca 0.00 1.73 -0.19 0.00 0.00 0.00 0.00 61.98 63.52 3i3d s VAL 1003Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3i3d s VAL 1003CO 0.00 -0.14 1.29 -0.55 0.00 0.00 0.00 175.10 175.70 3i3d s SER 1004N 1.32 4.89 0.38 3.32 0.15 -1.26 -4.87 113.70 117.62 3i3d s SER 1004Ca 0.39 2.61 0.12 0.00 0.70 0.00 0.00 55.95 59.77 3i3d s SER 1004Cb -0.15 -2.62 0.92 0.00 -1.71 0.00 0.00 66.02 62.46 3i3d s SER 1004CO 0.07 -1.81 1.86 0.00 1.20 0.00 0.00 173.24 174.56 3i3d h ALA 1005N 0.85 1.96 0.00 5.45 0.00 -1.96 -0.65 119.26 124.92 3i3d h ALA 1005Ca -0.51 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i3d h ALA 1005Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i3d h ALA 1005CO 0.55 -0.23 0.00 -0.85 0.00 0.00 0.00 179.25 178.71 3i3d n GLU 1006N -4.56 0.12 -0.26 0.00 0.00 -1.26 -2.17 120.64 112.51 3i3d n GLU 1006Ca 0.19 0.40 0.07 0.00 0.00 0.00 0.00 57.16 57.81 3i3d n GLU 1006Cb 0.57 -1.75 0.20 0.00 0.00 0.00 0.00 31.44 30.45 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 -1.99 0.65 -3.72 -1.84 3.01 -0.26 -4.96 117.46 108.35 3i3d n PHE 1007Ca 0.02 -0.55 -0.34 0.00 1.01 0.00 0.00 57.45 57.59 3i3d n PHE 1007Cb 0.18 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.26 3.62 -1.22 -1.08 -0.21 -0.92 -1.45 119.66 117.13 3i3d s GLN 1008Ca 0.30 -0.03 -0.16 0.00 0.02 0.00 0.00 55.36 55.50 3i3d s GLN 1008Cb 0.18 -3.06 0.13 0.00 1.00 0.00 0.00 33.01 31.26 3i3d s GLN 1008CO 0.18 0.62 1.53 -0.51 -2.12 0.00 0.00 175.29 174.99 3i3d s LEU 1009N -1.83 4.60 0.00 2.90 1.43 -1.26 -4.70 118.68 119.82 3i3d s LEU 1009Ca 0.29 -2.74 0.08 0.00 -1.03 0.00 0.00 54.13 50.74 3i3d s LEU 1009Cb -0.13 -2.47 0.23 0.00 0.03 0.00 0.00 46.19 43.86 3i3d s LEU 1009CO 0.17 -0.92 1.19 -1.54 0.23 0.00 0.00 176.35 175.48 3i3d n SER 1010N 6.69 2.70 0.19 2.29 3.41 -1.26 -4.31 113.62 123.33 3i3d n SER 1010Ca 0.40 -1.99 0.14 0.00 -0.26 0.00 0.00 58.87 57.17 3i3d n SER 1010Cb 0.44 -0.18 0.63 0.00 -0.26 0.00 0.00 64.21 64.85 3i3d n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3d h ALA 1011N 1.58 1.00 0.00 7.33 0.00 -1.98 -3.46 119.26 123.73 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 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 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 -0.51 1.19 3.02 0.00 0.00 -1.26 -4.85 105.19 102.77 3i3d n GLY 1012Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.78 0.08 1.61 0.52 -1.26 -0.12 118.95 121.57 3i3d s ARG 1013Ca 0.00 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 54.85 3i3d s ARG 1013Cb 0.00 -1.51 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 3i3d s ARG 1013CO 0.00 -0.02 -0.17 0.71 0.02 0.00 0.00 175.30 175.85 3i3d s TYR 1014N 0.83 1.43 -0.01 -0.53 1.51 -0.46 -4.99 117.35 115.14 3i3d s TYR 1014Ca -0.11 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 3i3d s TYR 1014Cb -0.15 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 3i3d s TYR 1014CO 0.02 0.12 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.98 3i3d s HIS 1015N -1.26 0.20 0.02 2.71 2.46 -1.26 -0.81 115.29 117.33 3i3d s HIS 1015Ca 0.01 -0.03 -0.24 0.00 0.47 0.00 0.00 55.06 55.28 3i3d s HIS 1015Cb -0.10 -0.16 0.06 0.00 -0.13 0.00 0.00 32.58 32.25 3i3d s HIS 1015CO 0.03 -0.02 0.55 1.52 -2.47 0.00 0.00 174.74 174.35 3i3d s TYR 1016N 0.10 -0.47 -0.01 3.88 -0.85 -0.70 -5.03 117.35 114.27 3i3d s TYR 1016Ca -0.01 0.64 0.03 0.00 -0.52 0.00 0.00 57.07 57.21 3i3d s TYR 1016Cb -0.03 0.35 -0.01 0.00 0.38 0.00 0.00 41.96 42.65 3i3d s TYR 1016CO -0.00 -0.62 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.67 3i3d s GLN 1017N -2.01 0.73 -0.00 -3.49 -0.21 -1.26 -1.07 119.66 112.34 3i3d s GLN 1017Ca -0.08 -0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.01 3i3d s GLN 1017Cb -0.01 -0.71 -0.01 0.00 1.00 0.00 0.00 33.01 33.29 3i3d s GLN 1017CO 0.02 0.19 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.77 3i3d s LEU 1018N -0.21 2.03 -0.22 2.90 1.43 0.22 -4.35 118.68 120.48 3i3d s LEU 1018Ca 0.03 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3i3d s LEU 1018Cb -0.03 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.68 3i3d s LEU 1018CO -0.00 0.11 -0.11 -0.69 0.23 0.00 0.00 176.35 175.89 3i3d s VAL 1019N -0.30 2.67 -0.15 -1.59 1.01 -0.47 0.13 120.40 121.70 3i3d s VAL 1019Ca 0.03 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3i3d s VAL 1019Cb -0.04 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3i3d s VAL 1019CO -0.00 0.36 0.02 0.86 0.00 0.00 0.00 175.10 176.34 3i3d s TRP 1020N 1.34 3.18 0.36 5.22 -0.11 0.41 -1.25 118.94 128.08 3i3d s TRP 1020Ca 0.03 0.02 -0.14 0.00 1.22 0.00 0.00 56.10 57.23 3i3d s TRP 1020Cb -0.15 -1.97 0.04 0.00 -1.50 0.00 0.00 33.47 29.89 3i3d s TRP 1020CO -0.07 0.21 0.70 0.00 -4.62 0.00 0.00 176.95 173.17 3i3d s GLN 1022N -2.76 3.31 0.00 0.00 0.74 -1.26 -1.11 119.66 118.58 3i3d s GLN 1022Ca 0.18 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.12 3i3d s GLN 1022Cb -0.04 -3.91 0.00 0.00 1.10 0.00 0.00 33.01 30.16 3i3d s GLN 1022CO 0.12 -0.83 0.48 1.17 -0.55 0.00 0.00 175.29 175.68