#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7b h PHE 47 N 0.00 -0.22 0.00 1.39 3.57 -1.96 -2.36 116.94 117.37 3i7b h PHE 47 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i7b h PHE 47 Cb 0.00 0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3i7b h PHE 47 CO 0.00 -0.16 0.00 0.66 -2.23 0.00 0.00 178.31 176.58 3i7b h SER 48 N -0.03 0.00 0.02 0.41 4.64 -2.04 -1.28 113.55 115.27 3i7b h SER 48 Ca 0.15 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3i7b h SER 48 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3i7b h SER 48 CO -0.33 0.00 -0.21 0.44 -0.87 0.00 0.00 176.83 175.85 3i7b h ASP 49 N 0.00 0.34 0.00 4.97 3.32 -1.90 -3.36 116.42 119.78 3i7b h ASP 49 Ca 0.00 -0.10 -0.37 0.00 0.02 0.00 0.00 57.03 56.58 3i7b h ASP 49 Cb 0.32 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 3i7b h ASP 49 CO 0.00 0.56 -2.40 -1.14 -1.72 0.00 0.00 179.24 174.55 3i7b n ARG 50 N -4.17 0.66 -4.88 3.56 0.63 -0.76 -4.87 116.66 106.82 3i7b n ARG 50 Ca -0.00 0.12 -0.30 0.00 -0.92 0.00 0.00 57.85 56.74 3i7b n ARG 50 Cb 0.35 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.62 3i7b n ARG 50 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3i7b s TYR 51 N -2.49 2.37 -0.06 -0.14 2.02 -0.56 -0.31 117.35 118.18 3i7b s TYR 51 Ca -0.29 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 3i7b s TYR 51 Cb 0.08 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 3i7b s TYR 51 CO 0.61 0.14 -0.18 -1.59 -1.57 0.00 0.00 175.55 172.96 3i7b s LYS 52 N -1.23 2.64 0.24 -0.62 -2.85 -0.43 -4.38 119.74 113.09 3i7b s LYS 52 Ca 0.12 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 54.02 3i7b s LYS 52 Cb -0.10 -2.33 -0.09 0.00 -2.06 0.00 0.00 37.83 33.25 3i7b s LYS 52 CO 0.02 0.47 1.29 0.20 0.10 0.00 0.00 175.35 177.44 3i7b s GLY 53 N -0.36 2.62 -0.13 0.59 0.00 -1.26 -0.77 107.32 108.01 3i7b s GLY 53 Ca 0.03 1.13 -0.05 0.00 0.00 0.00 0.00 44.72 45.83 3i7b s GLY 53 CO 0.02 1.99 -0.16 -1.06 0.00 0.00 0.00 173.10 173.90 3i7b n GLN 54 N 2.10 0.28 -3.48 2.90 6.02 0.64 -4.92 117.38 120.92 3i7b n GLN 54 Ca 0.04 0.11 -0.14 0.00 -0.01 0.00 0.00 57.00 57.00 3i7b n GLN 54 Cb 0.43 -1.02 -0.04 0.00 1.02 0.00 0.00 30.24 30.63 3i7b n GLN 54 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3i7b s ARG 55 N -2.24 1.17 0.03 -1.09 1.70 -1.10 -5.02 118.95 112.39 3i7b s ARG 55 Ca -0.18 -0.18 -0.30 0.00 -0.47 0.00 0.00 55.73 54.59 3i7b s ARG 55 Cb 0.06 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 3i7b s ARG 55 CO 0.24 -0.45 1.07 0.08 -1.08 0.00 0.00 175.30 175.16 3i7b s VAL 56 N -2.67 4.50 -0.11 4.99 1.01 -1.26 0.02 120.40 126.86 3i7b s VAL 56 Ca -0.04 1.81 -0.08 0.00 0.00 0.00 0.00 61.98 63.67 3i7b s VAL 56 Cb -0.01 -4.16 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 3i7b s VAL 56 CO -0.03 0.15 0.41 -0.07 0.00 0.00 0.00 175.10 175.56 3i7b h LEU 57 N 6.70 0.43 0.00 3.92 3.38 -1.35 -3.46 115.31 124.93 3i7b h LEU 57 Ca -0.41 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.62 3i7b h LEU 57 Cb 1.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3i7b h LEU 57 CO 0.77 1.83 0.00 0.61 0.09 0.00 0.00 178.44 181.74 3i7b n GLY 58 N 1.95 -1.86 3.70 0.83 0.00 -1.03 -5.01 105.19 103.76 3i7b n GLY 58 Ca -0.31 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 3i7b n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i7b s LYS 59 N -1.99 4.20 0.40 1.61 2.47 -1.26 -0.30 119.74 124.87 3i7b s LYS 59 Ca 0.00 0.09 0.01 0.00 -1.56 0.00 0.00 55.97 54.51 3i7b s LYS 59 Cb 0.00 -3.48 -0.00 0.00 -1.46 0.00 0.00 37.83 32.88 3i7b s LYS 59 CO 0.00 0.11 0.02 0.41 0.16 0.00 0.00 175.35 176.05 3i7b n GLY 60 N 3.71 3.62 3.72 5.54 0.00 -0.91 -4.95 105.19 115.93 3i7b n GLY 60 Ca -0.11 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 3i7b n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i7b n SER 61 N -1.33 4.02 0.00 1.61 7.64 -1.26 -2.80 113.62 121.51 3i7b n SER 61 Ca -0.15 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.79 3i7b n SER 61 Cb 0.53 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3i7b n SER 61 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3i7b n PHE 62 N 4.13 0.00 0.00 1.43 3.72 -1.26 -4.92 117.46 120.56 3i7b n PHE 62 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3i7b n PHE 62 Cb 0.35 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3i7b n PHE 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i7b n GLY 63 N -2.00 0.72 3.81 1.37 0.00 -1.12 -4.30 105.19 103.66 3i7b n GLY 63 Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 3i7b n GLY 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i7b s GLU 64 N -2.00 3.85 -0.18 1.61 -1.05 -1.22 -2.13 118.70 117.57 3i7b s GLU 64 Ca 0.00 1.27 -0.02 0.00 -0.15 0.00 0.00 54.97 56.07 3i7b s GLU 64 Cb 0.00 -2.11 -0.01 0.00 -0.44 0.00 0.00 34.13 31.58 3i7b s GLU 64 CO 0.00 -0.38 -0.10 0.08 0.95 0.00 0.00 175.26 175.81 3i7b s VAL 65 N -2.12 3.06 -0.07 1.83 1.01 0.59 -1.56 120.40 123.15 3i7b s VAL 65 Ca 0.65 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3i7b s VAL 65 Cb -0.14 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3i7b s VAL 65 CO 0.21 0.48 -0.19 -0.63 0.00 0.00 0.00 175.10 174.96 3i7b s ILE 66 N 1.05 2.57 -0.10 2.22 -1.09 -0.00 -0.90 121.20 124.95 3i7b s ILE 66 Ca -0.00 -0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 57.24 3i7b s ILE 66 Cb -0.15 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.72 3i7b s ILE 66 CO -0.02 0.57 1.21 -0.22 -1.23 0.00 0.00 174.94 175.25 3i7b s LEU 67 N -0.27 4.24 0.27 2.97 2.96 0.10 -0.64 118.68 128.31 3i7b s LEU 67 Ca 0.01 1.75 0.07 0.00 -0.22 0.00 0.00 54.13 55.74 3i7b s LEU 67 Cb -0.13 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 3i7b s LEU 67 CO 0.03 -0.65 -0.07 0.00 -1.32 0.00 0.00 176.35 174.34 3i7b s LYS 69 N -3.72 1.07 0.11 0.00 2.20 0.05 -0.57 119.74 118.89 3i7b s LYS 69 Ca 0.29 -0.25 -0.31 0.00 -0.36 0.00 0.00 55.97 55.33 3i7b s LYS 69 Cb 0.03 -0.98 -0.11 0.00 -1.51 0.00 0.00 37.83 35.26 3i7b s LYS 69 CO 0.11 0.02 1.86 -3.47 -0.36 0.00 0.00 175.35 173.51 3i7b n ASP 70 N 3.68 4.04 0.28 1.43 -0.08 -0.34 -1.32 116.55 124.23 3i7b n ASP 70 Ca -0.22 0.98 0.13 0.00 -1.51 0.00 0.00 54.79 54.17 3i7b n ASP 70 Cb 0.52 -1.54 0.80 0.00 2.34 0.00 0.00 41.12 43.24 3i7b n ASP 70 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3i7b h LYS 71 N 8.82 0.00 0.00 -0.67 1.57 -1.00 -1.25 116.57 124.04 3i7b h LYS 71 Ca -0.47 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.21 3i7b h LYS 71 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3i7b h LYS 71 CO 0.95 0.07 -1.12 -0.89 -0.57 0.00 0.00 179.45 177.89 3i7b n ILE 72 N -3.74 1.48 0.85 1.86 5.41 -1.26 -4.66 119.36 119.30 3i7b n ILE 72 Ca -0.02 0.06 0.12 0.00 1.00 0.00 0.00 62.75 63.91 3i7b n ILE 72 Cb 0.17 -2.26 0.28 0.00 -0.71 0.00 0.00 39.64 37.12 3i7b n ILE 72 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3i7b n THR 73 N -4.47 0.13 -0.93 1.39 -2.24 -1.24 -4.94 114.28 101.97 3i7b n THR 73 Ca -0.20 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3i7b n THR 73 Cb 0.52 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3i7b n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7b n GLY 74 N 1.44 0.40 3.69 3.38 0.00 -0.47 -4.97 105.19 108.67 3i7b n GLY 74 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3i7b n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i7b s GLN 75 N -0.65 4.21 0.27 1.61 2.00 -1.26 -4.63 119.66 121.21 3i7b s GLN 75 Ca 0.00 2.29 -0.29 0.00 -2.00 0.00 0.00 55.36 55.36 3i7b s GLN 75 Cb 0.00 -3.51 -0.09 0.00 0.80 0.00 0.00 33.01 30.21 3i7b s GLN 75 CO 0.00 -0.69 0.97 -1.21 -0.50 0.00 0.00 175.29 173.87 3i7b s GLU 76 N 2.31 4.73 0.18 1.67 2.02 -1.26 -1.20 118.70 127.15 3i7b s GLU 76 Ca 0.72 1.51 -0.04 0.00 0.02 0.00 0.00 54.97 57.18 3i7b s GLU 76 Cb -0.39 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 3i7b s GLU 76 CO 0.31 0.38 0.18 0.00 0.02 0.00 0.00 175.26 176.16 3i7b s ALA 78 N -4.08 2.66 -0.08 0.00 0.00 0.42 -0.74 121.76 119.94 3i7b s ALA 78 Ca 0.29 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3i7b s ALA 78 Cb 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.11 3i7b s ALA 78 CO 0.07 0.45 -0.21 0.08 0.00 0.00 0.00 175.76 176.14 3i7b s VAL 79 N -0.36 1.82 -0.27 0.00 1.01 0.19 -0.68 120.40 122.12 3i7b s VAL 79 Ca 0.04 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 3i7b s VAL 79 Cb -0.12 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 3i7b s VAL 79 CO 0.02 0.51 0.16 -0.75 0.00 0.00 0.00 175.10 175.05 3i7b s LYS 80 N 0.28 3.92 -0.34 2.72 2.20 0.07 -0.82 119.74 127.77 3i7b s LYS 80 Ca -0.14 -0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.01 3i7b s LYS 80 Cb -0.16 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3i7b s LYS 80 CO 0.06 -0.14 0.22 0.08 -0.36 0.00 0.00 175.35 175.22 3i7b s VAL 81 N 1.61 5.07 -0.31 4.02 1.01 -0.60 -1.20 120.40 130.01 3i7b s VAL 81 Ca 0.07 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 3i7b s VAL 81 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3i7b s VAL 81 CO 0.09 -0.03 0.10 -0.63 0.00 0.00 0.00 175.10 174.63 3i7b s ILE 82 N 1.68 4.10 -0.12 2.22 1.01 0.13 -3.41 121.20 126.81 3i7b s ILE 82 Ca 0.05 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 3i7b s ILE 82 Cb -0.18 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 3i7b s ILE 82 CO 0.09 0.04 1.48 -0.55 0.00 0.00 0.00 174.94 176.00 3i7b s SER 83 N 1.51 6.76 0.53 3.58 0.15 -1.26 -0.90 113.70 124.07 3i7b s SER 83 Ca 0.03 1.93 0.32 0.00 0.70 0.00 0.00 55.95 58.92 3i7b s SER 83 Cb -0.17 -2.54 1.36 0.00 -1.71 0.00 0.00 66.02 62.96 3i7b s SER 83 CO 0.03 -0.89 1.99 0.11 1.20 0.00 0.00 173.24 175.69 3i7b h LYS 84 N 9.08 0.00 0.40 5.44 1.57 -1.16 0.54 116.57 132.44 3i7b h LYS 84 Ca -0.33 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3i7b h LYS 84 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3i7b h LYS 84 CO 0.97 0.07 -0.19 0.00 -0.57 0.00 0.00 179.45 179.72 3i7b h ARG 85 N 0.00 -0.52 -0.40 3.15 3.08 -1.91 -3.39 114.38 114.39 3i7b h ARG 85 Ca -0.00 0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 3i7b h ARG 85 Cb 0.50 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3i7b h ARG 85 CO 0.01 -0.28 -0.36 0.37 -1.07 0.00 0.00 179.97 178.64 3i7b h GLN 86 N -1.09 0.95 -5.07 0.04 4.15 -1.90 -3.43 115.11 108.77 3i7b h GLN 86 Ca -0.06 -0.49 -0.63 0.00 0.77 0.00 0.00 58.65 58.25 3i7b h GLN 86 Cb 0.48 0.01 -0.18 0.00 0.21 0.00 0.00 27.48 27.99 3i7b h GLN 86 CO 0.09 1.15 -0.57 0.08 -1.93 0.00 0.00 178.83 177.65 3i7b s VAL 87 N -4.44 4.77 0.33 2.39 1.01 0.17 -5.02 120.40 119.61 3i7b s VAL 87 Ca -0.11 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 3i7b s VAL 87 Cb 0.11 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 33.18 3i7b s VAL 87 CO 0.88 0.36 0.98 -0.75 0.00 0.00 0.00 175.10 176.58 3i7b s LYS 88 N 1.16 4.52 0.03 2.72 2.47 -1.26 -4.54 119.74 124.84 3i7b s LYS 88 Ca 0.05 1.43 -0.15 0.00 -1.56 0.00 0.00 55.97 55.74 3i7b s LYS 88 Cb -0.14 -2.82 -0.06 0.00 -1.46 0.00 0.00 37.83 33.35 3i7b s LYS 88 CO 0.04 0.20 0.44 -0.65 0.16 0.00 0.00 175.35 175.54 3i7b s GLN 89 N -2.02 3.95 -0.19 4.03 -0.21 -1.26 -1.70 119.66 122.26 3i7b s GLN 89 Ca 0.51 0.45 -0.23 0.00 0.02 0.00 0.00 55.36 56.11 3i7b s GLN 89 Cb -0.21 -3.19 -0.20 0.00 1.00 0.00 0.00 33.01 30.41 3i7b s GLN 89 CO 0.27 0.66 0.34 0.87 -2.12 0.00 0.00 175.29 175.31 3i7b h LYS 90 N 4.51 0.00 -6.41 2.91 1.57 -0.98 -3.46 116.57 114.71 3i7b h LYS 90 Ca -0.51 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.79 3i7b h LYS 90 Cb 1.21 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.53 3i7b h LYS 90 CO 0.62 0.94 -0.22 0.95 -0.57 0.00 0.00 179.45 181.17 3i7b s THR 91 N -2.31 2.42 0.78 -0.16 -4.23 -1.26 -5.06 115.64 105.83 3i7b s THR 91 Ca -0.25 -1.12 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 3i7b s THR 91 Cb 0.03 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.39 3i7b s THR 91 CO 0.59 0.00 1.09 1.51 -0.54 0.00 0.00 174.62 177.27 3i7b s ASP 92 N -4.43 4.57 0.33 3.99 1.47 -1.26 -4.90 116.67 116.43 3i7b s ASP 92 Ca 0.54 1.49 0.15 0.00 1.18 0.00 0.00 52.55 55.91 3i7b s ASP 92 Cb -0.06 -2.25 0.55 0.00 -0.34 0.00 0.00 42.92 40.82 3i7b s ASP 92 CO 0.33 -1.95 1.69 0.11 0.68 0.00 0.00 175.17 176.04 3i7b h LYS 93 N -1.07 0.00 -0.60 2.11 1.57 -1.99 -2.22 116.57 114.36 3i7b h LYS 93 Ca -0.46 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.44 3i7b h LYS 93 Cb 1.25 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.44 3i7b h LYS 93 CO 0.57 0.48 -0.21 0.93 -0.57 0.00 0.00 179.45 180.64 3i7b h GLU 94 N 0.00 -0.06 -0.29 3.15 3.07 -1.99 0.79 114.58 119.25 3i7b h GLU 94 Ca -0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3i7b h GLU 94 Cb 0.95 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 3i7b h GLU 94 CO 0.06 -0.04 -0.30 1.03 -1.40 0.00 0.00 179.01 178.36 3i7b h SER 95 N -0.06 0.76 0.13 1.42 0.87 -1.83 -2.31 113.55 112.54 3i7b h SER 95 Ca 0.28 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 3i7b h SER 95 Cb 0.49 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3i7b h SER 95 CO -0.65 1.08 -0.06 0.25 -0.53 0.00 0.00 176.83 176.92 3i7b h LEU 96 N 0.46 -0.15 -1.08 2.23 5.85 -1.10 -1.19 115.31 120.32 3i7b h LEU 96 Ca 0.04 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3i7b h LEU 96 Cb 0.88 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3i7b h LEU 96 CO 0.07 -0.04 0.62 -0.07 -0.34 0.00 0.00 178.44 178.69 3i7b h LEU 97 N -0.26 1.05 -0.37 2.25 3.38 -0.91 -1.47 115.31 118.98 3i7b h LEU 97 Ca -0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3i7b h LEU 97 Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3i7b h LEU 97 CO 0.03 0.74 -0.10 -0.09 0.09 0.00 0.00 178.44 179.11 3i7b h ARG 98 N 1.23 0.73 -0.67 1.13 2.43 -1.23 -1.72 114.38 116.28 3i7b h ARG 98 Ca 0.36 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3i7b h ARG 98 Cb -0.07 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3i7b h ARG 98 CO -0.09 0.88 0.14 1.49 -1.51 0.00 0.00 179.97 180.88 3i7b h GLU 99 N 0.52 1.08 -0.68 0.20 4.81 -0.96 -1.88 114.58 117.67 3i7b h GLU 99 Ca 0.09 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3i7b h GLU 99 Cb 0.62 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 3i7b h GLU 99 CO 0.04 0.97 0.45 0.28 -0.73 0.00 0.00 179.01 180.01 3i7b h VAL 100 N 1.02 1.16 -0.55 0.32 2.07 -1.13 -0.66 116.25 118.48 3i7b h VAL 100 Ca 0.21 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3i7b h VAL 100 Cb 0.39 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3i7b h VAL 100 CO 0.01 0.17 0.07 -0.61 0.02 0.00 0.00 177.57 177.22 3i7b h GLN 101 N 0.91 0.89 -0.10 1.57 5.75 -0.99 -1.54 115.11 121.60 3i7b h GLN 101 Ca 0.26 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3i7b h GLN 101 Cb -0.08 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.35 3i7b h GLN 101 CO -0.06 0.84 0.03 1.25 -2.65 0.00 0.00 178.83 178.24 3i7b h LEU 102 N 0.84 0.15 -1.17 -2.39 5.85 -1.02 -3.08 115.31 114.48 3i7b h LEU 102 Ca 0.17 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3i7b h LEU 102 Cb 0.40 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3i7b h LEU 102 CO 0.01 0.30 0.58 -0.07 -0.34 0.00 0.00 178.44 178.92 3i7b h LEU 103 N -0.01 0.85 -2.04 2.25 3.38 -0.81 -0.86 115.31 118.07 3i7b h LEU 103 Ca 0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i7b h LEU 103 Cb 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3i7b h LEU 103 CO -0.00 0.52 -0.02 0.11 0.09 0.00 0.00 178.44 179.14 3i7b h LYS 104 N 0.95 0.00 -0.01 1.13 1.57 -1.20 -2.68 116.57 116.33 3i7b h LYS 104 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3i7b h LYS 104 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3i7b h LYS 104 CO -0.16 0.02 -0.38 1.04 -0.57 0.00 0.00 179.45 179.40 3i7b n GLN 105 N -4.38 0.64 -3.74 3.15 6.02 -0.35 -4.92 117.38 113.81 3i7b n GLN 105 Ca -0.03 -0.41 -0.34 0.00 -0.01 0.00 0.00 57.00 56.20 3i7b n GLN 105 Cb 0.11 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 3i7b n GLN 105 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i7b s LEU 106 N -2.64 4.37 -0.07 1.08 1.43 -1.01 -5.10 118.68 116.73 3i7b s LEU 106 Ca 0.20 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.85 3i7b s LEU 106 Cb 0.19 -2.73 0.04 0.00 0.03 0.00 0.00 46.19 43.72 3i7b s LEU 106 CO 0.59 0.24 0.16 -1.81 0.23 0.00 0.00 176.35 175.75 3i7b s ASP 107 N -1.73 -0.09 -0.19 2.29 1.01 -1.26 -4.85 116.67 111.85 3i7b s ASP 107 Ca 0.29 0.32 -0.17 0.00 0.71 0.00 0.00 52.55 53.70 3i7b s ASP 107 Cb -0.13 0.21 0.05 0.00 1.01 0.00 0.00 42.92 44.06 3i7b s ASP 107 CO 0.17 -0.15 0.50 -2.28 0.21 0.00 0.00 175.17 173.62 3i7b s HIS 108 N 1.23 -0.58 -0.92 4.23 2.46 -1.26 -5.05 115.29 115.40 3i7b s HIS 108 Ca -0.09 1.38 0.14 0.00 0.47 0.00 0.00 55.06 56.96 3i7b s HIS 108 Cb -0.11 0.21 0.59 0.00 -0.13 0.00 0.00 32.58 33.14 3i7b s HIS 108 CO -0.06 -0.28 1.44 -0.35 -2.47 0.00 0.00 174.74 173.01 3i7b n PRO 109 N 2.99 0.03 -0.22 2.88 -0.04 -1.26 -1.99 135.00 137.38 3i7b n PRO 109 Ca -0.15 0.31 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 3i7b n PRO 109 Cb 0.56 -1.55 0.18 0.00 -0.04 0.00 0.00 33.50 32.65 3i7b n PRO 109 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i7b n ASN 110 N -1.60 3.14 -4.23 3.54 5.03 -1.26 -4.69 115.26 115.19 3i7b n ASN 110 Ca 0.03 -2.05 -0.30 0.00 0.87 0.00 0.00 54.58 53.12 3i7b n ASN 110 Cb 0.15 -0.29 -0.16 0.00 -1.02 0.00 0.00 39.78 38.46 3i7b n ASN 110 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i7b s ILE 111 N -1.10 1.88 0.25 2.41 -1.09 -0.84 -0.68 121.20 122.03 3i7b s ILE 111 Ca 0.28 -0.96 -0.31 0.00 -2.23 0.00 0.00 60.65 57.42 3i7b s ILE 111 Cb 0.15 -1.60 -0.13 0.00 -1.58 0.00 0.00 42.46 39.31 3i7b s ILE 111 CO 0.18 0.53 1.54 0.80 -1.23 0.00 0.00 174.94 176.76 3i7b n MET 112 N 3.06 2.42 -2.81 2.79 0.00 -0.46 -4.61 117.12 117.51 3i7b n MET 112 Ca -0.18 0.86 -0.42 0.00 -0.00 0.00 0.00 57.70 57.97 3i7b n MET 112 Cb 0.52 -2.61 -0.03 0.00 0.00 0.00 0.00 33.22 31.10 3i7b n MET 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3i7b s LYS 113 N -0.12 4.39 -0.14 2.12 2.47 -1.26 -4.99 119.74 122.20 3i7b s LYS 113 Ca 0.68 1.19 -0.11 0.00 -1.56 0.00 0.00 55.97 56.16 3i7b s LYS 113 Cb -0.57 -3.53 -0.05 0.00 -1.46 0.00 0.00 37.83 32.22 3i7b s LYS 113 CO 0.46 -0.25 0.23 -1.17 0.16 0.00 0.00 175.35 174.78 3i7b s LEU 114 N 1.81 4.30 -0.23 5.43 2.96 -1.26 -1.34 118.68 130.35 3i7b s LEU 114 Ca 0.43 0.48 -0.11 0.00 -0.22 0.00 0.00 54.13 54.72 3i7b s LEU 114 Cb -0.18 -2.26 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 3i7b s LEU 114 CO 0.17 0.22 -0.29 -1.22 -1.32 0.00 0.00 176.35 173.91 3i7b n TYR 115 N 2.99 0.00 -3.87 5.38 4.01 0.74 -4.50 117.16 121.91 3i7b n TYR 115 Ca -0.15 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.50 3i7b n TYR 115 Cb 0.53 -0.81 -0.06 0.00 -0.31 0.00 0.00 39.34 38.68 3i7b n TYR 115 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3i7b s GLU 116 N -2.41 1.14 -0.02 -0.72 2.02 -0.75 -4.96 118.70 112.99 3i7b s GLU 116 Ca -0.31 -1.04 0.01 0.00 0.02 0.00 0.00 54.97 53.65 3i7b s GLU 116 Cb 0.12 0.41 0.02 0.00 0.10 0.00 0.00 34.13 34.78 3i7b s GLU 116 CO 0.40 -0.43 -0.01 0.12 0.02 0.00 0.00 175.26 175.36 3i7b s PHE 117 N -3.92 0.35 0.16 1.61 5.36 -1.26 -0.85 117.98 119.43 3i7b s PHE 117 Ca 0.12 -0.03 0.04 0.00 -0.96 0.00 0.00 56.93 56.09 3i7b s PHE 117 Cb 0.03 -0.38 -0.05 0.00 -0.34 0.00 0.00 43.02 42.28 3i7b s PHE 117 CO -0.04 -0.10 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.50 3i7b s PHE 118 N 0.73 1.27 -0.10 10.12 0.08 -0.02 -4.99 117.98 125.06 3i7b s PHE 118 Ca -0.08 -0.84 -0.13 0.00 0.12 0.00 0.00 56.93 56.01 3i7b s PHE 118 Cb -0.11 -0.68 0.03 0.00 -0.57 0.00 0.00 43.02 41.69 3i7b s PHE 118 CO -0.01 -0.01 0.33 -2.00 -0.10 0.00 0.00 175.22 173.44 3i7b s GLU 119 N -3.80 0.47 0.13 0.44 2.12 -1.26 -0.39 118.70 116.41 3i7b s GLU 119 Ca 0.19 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.84 3i7b s GLU 119 Cb 0.04 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.65 3i7b s GLU 119 CO 0.02 -0.08 0.05 -0.40 -0.54 0.00 0.00 175.26 174.30 3i7b n ASP 120 N 2.47 1.02 -0.18 -1.70 5.68 -0.47 -4.94 116.55 118.43 3i7b n ASP 120 Ca -0.15 -1.72 0.14 0.00 -0.50 0.00 0.00 54.79 52.56 3i7b n ASP 120 Cb 0.57 0.34 0.48 0.00 -1.14 0.00 0.00 41.12 41.37 3i7b n ASP 120 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3i7b h LYS 121 N 0.00 0.46 0.00 0.11 3.64 -2.03 -3.17 116.57 115.57 3i7b h LYS 121 Ca -0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3i7b h LYS 121 Cb 0.40 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3i7b h LYS 121 CO 0.17 0.30 -1.78 0.41 -2.27 0.00 0.00 179.45 176.28 3i7b n GLY 122 N -1.51 -0.78 3.14 5.01 0.00 -1.26 -4.90 105.19 104.89 3i7b n GLY 122 Ca 0.14 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 3i7b n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i7b s TYR 123 N -3.19 0.18 -0.05 1.61 2.02 -1.20 -0.73 117.35 116.00 3i7b s TYR 123 Ca -0.06 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.13 3i7b s TYR 123 Cb 0.11 -0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.51 3i7b s TYR 123 CO 0.71 -0.40 0.03 -0.06 -1.57 0.00 0.00 175.55 174.26 3i7b s PHE 124 N -2.82 3.21 -0.25 2.71 0.08 -0.08 -1.37 117.98 119.47 3i7b s PHE 124 Ca -0.03 0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.24 3i7b s PHE 124 Cb 0.00 -1.77 0.06 0.00 -0.57 0.00 0.00 43.02 40.74 3i7b s PHE 124 CO -0.05 0.51 -0.10 0.71 -0.10 0.00 0.00 175.22 176.19 3i7b s TYR 125 N -1.01 2.93 -0.31 0.36 2.02 0.48 -0.69 117.35 121.12 3i7b s TYR 125 Ca 0.17 -2.08 -0.12 0.00 -0.37 0.00 0.00 57.07 54.67 3i7b s TYR 125 Cb -0.12 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3i7b s TYR 125 CO 0.07 -0.84 0.23 -0.51 -1.57 0.00 0.00 175.55 172.93 3i7b s LEU 126 N 1.22 4.28 -0.18 -1.29 1.43 -0.34 -0.84 118.68 122.96 3i7b s LEU 126 Ca -0.07 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 3i7b s LEU 126 Cb -0.19 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3i7b s LEU 126 CO -0.06 -0.16 0.03 -0.69 0.23 0.00 0.00 176.35 175.71 3i7b s VAL 127 N 1.76 4.51 0.20 -1.59 1.01 -0.03 -0.75 120.40 125.51 3i7b s VAL 127 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3i7b s VAL 127 Cb -0.17 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3i7b s VAL 127 CO 0.11 0.47 0.31 0.61 0.00 0.00 0.00 175.10 176.59 3i7b n GLY 128 N 3.58 2.27 3.76 4.51 0.00 0.14 -0.19 105.19 119.28 3i7b n GLY 128 Ca -0.17 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3i7b n GLY 128 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7b s GLU 129 N -2.34 4.51 -0.01 1.61 2.12 -0.45 -0.44 118.70 123.71 3i7b s GLU 129 Ca 0.14 1.99 -0.15 0.00 0.36 0.00 0.00 54.97 57.31 3i7b s GLU 129 Cb -0.01 -3.14 -0.06 0.00 0.26 0.00 0.00 34.13 31.19 3i7b s GLU 129 CO 0.10 0.03 0.42 0.54 -0.54 0.00 0.00 175.26 175.81 3i7b s VAL 130 N -1.14 5.03 -0.03 3.70 0.11 -1.26 -4.53 120.40 122.27 3i7b s VAL 130 Ca 0.47 0.86 0.07 0.00 -2.93 0.00 0.00 61.98 60.45 3i7b s VAL 130 Cb -0.36 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 30.75 3i7b s VAL 130 CO 0.46 0.56 -0.25 -0.31 -3.33 0.00 0.00 175.10 172.23 3i7b s TYR 131 N -0.95 2.31 -0.93 1.54 2.02 -1.26 -5.00 117.35 115.08 3i7b s TYR 131 Ca 0.24 -0.50 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 3i7b s TYR 131 Cb -0.17 -1.49 0.12 0.00 -0.40 0.00 0.00 41.96 40.02 3i7b s TYR 131 CO 0.13 -0.08 0.89 0.25 -1.57 0.00 0.00 175.55 175.17 3i7b n THR 132 N 2.58 0.31 1.20 -0.71 -2.24 -1.25 -4.60 114.28 109.57 3i7b n THR 132 Ca -0.16 -0.65 0.14 0.00 -2.27 0.00 0.00 64.05 61.10 3i7b n THR 132 Cb 0.51 0.96 0.56 0.00 -2.10 0.00 0.00 70.33 70.27 3i7b n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7b n GLY 133 N 0.40 -1.21 6.18 3.38 0.00 -0.13 -4.63 105.19 109.17 3i7b n GLY 133 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.87 3i7b n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7b n GLY 134 N 1.39 -1.87 3.77 -0.02 0.00 -1.25 -3.75 105.19 103.46 3i7b n GLY 134 Ca 0.10 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 3i7b n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7b s GLU 135 N -0.16 4.70 0.16 1.61 2.02 -1.26 -0.19 118.70 125.58 3i7b s GLU 135 Ca 0.00 1.40 -0.19 0.00 0.02 0.00 0.00 54.97 56.20 3i7b s GLU 135 Cb 0.00 -3.00 0.08 0.00 0.10 0.00 0.00 34.13 31.31 3i7b s GLU 135 CO 0.00 0.38 1.65 1.25 0.02 0.00 0.00 175.26 178.56 3i7b h LEU 136 N 3.59 -0.53 -1.49 1.80 5.85 -1.29 -2.18 115.31 121.07 3i7b h LEU 136 Ca -0.46 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 3i7b h LEU 136 Cb 1.20 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3i7b h LEU 136 CO 0.66 -0.19 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.11 3i7b h PHE 137 N -0.09 0.08 0.00 1.25 -1.00 -1.86 -0.72 116.94 114.60 3i7b h PHE 137 Ca 0.18 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 3i7b h PHE 137 Cb 0.36 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 3i7b h PHE 137 CO -0.38 0.28 -0.11 -0.44 -1.61 0.00 0.00 178.31 176.05 3i7b h ASP 138 N 0.07 0.00 0.16 2.17 3.32 -1.80 -1.84 116.42 118.51 3i7b h ASP 138 Ca 0.01 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.82 3i7b h ASP 138 Cb 0.41 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.98 3i7b h ASP 138 CO 0.03 0.11 -1.14 -0.08 -1.72 0.00 0.00 179.24 176.44 3i7b h GLU 139 N 0.00 0.34 -0.57 3.56 4.22 -1.01 -3.39 114.58 117.73 3i7b h GLU 139 Ca -0.00 -0.58 0.01 0.00 0.08 0.00 0.00 59.36 58.86 3i7b h GLU 139 Cb 0.55 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3i7b h GLU 139 CO 0.01 1.28 0.37 0.82 -2.18 0.00 0.00 179.01 179.32 3i7b h ILE 140 N -0.23 1.14 -0.04 2.32 2.04 -0.79 -2.64 117.51 119.31 3i7b h ILE 140 Ca -0.21 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3i7b h ILE 140 Cb 1.80 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3i7b h ILE 140 CO 0.16 0.14 0.09 0.16 0.00 0.00 0.00 178.15 178.70 3i7b h ILE 141 N 0.76 0.21 -0.00 -0.67 3.07 -1.54 -0.78 117.51 118.56 3i7b h ILE 141 Ca 0.21 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.62 3i7b h ILE 141 Cb -0.08 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 37.38 3i7b h ILE 141 CO -0.05 0.00 -0.32 -1.20 -1.05 0.00 0.00 178.15 175.53 3i7b n SER 142 N -3.36 0.41 -4.78 2.16 7.64 -0.99 -4.92 113.62 109.78 3i7b n SER 142 Ca -0.02 -0.14 -0.36 0.00 1.01 0.00 0.00 58.87 59.36 3i7b n SER 142 Cb 0.17 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 3i7b n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3i7b s ARG 143 N -2.91 3.96 -0.07 1.43 0.52 -0.30 -4.97 118.95 116.61 3i7b s ARG 143 Ca 0.14 1.60 0.08 0.00 -0.52 0.00 0.00 55.73 57.03 3i7b s ARG 143 Cb 0.18 -2.44 -0.24 0.00 0.52 0.00 0.00 34.95 32.98 3i7b s ARG 143 CO 0.62 -0.34 0.57 1.63 0.02 0.00 0.00 175.30 177.80 3i7b n LYS 144 N -0.34 0.67 -4.76 3.54 5.02 -1.26 -4.93 118.16 116.10 3i7b n LYS 144 Ca 0.06 0.28 -0.28 0.00 -2.02 0.00 0.00 58.31 56.36 3i7b n LYS 144 Cb 0.49 -1.77 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 3i7b n LYS 144 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3i7b s ARG 145 N -2.59 1.57 -0.23 1.97 1.70 -1.26 -5.00 118.95 115.12 3i7b s ARG 145 Ca -0.09 -1.01 -0.08 0.00 -0.47 0.00 0.00 55.73 54.08 3i7b s ARG 145 Cb 0.08 -1.71 0.10 0.00 -0.57 0.00 0.00 34.95 32.85 3i7b s ARG 145 CO 0.81 0.44 0.49 0.12 -1.08 0.00 0.00 175.30 176.08 3i7b s PHE 146 N -0.79 -0.95 0.53 5.89 5.36 -1.26 -5.03 117.98 121.72 3i7b s PHE 146 Ca 0.09 1.76 0.02 0.00 -0.96 0.00 0.00 56.93 57.84 3i7b s PHE 146 Cb -0.09 0.45 0.01 0.00 -0.34 0.00 0.00 43.02 43.05 3i7b s PHE 146 CO 0.02 -0.53 0.13 -1.54 -1.46 0.00 0.00 175.22 171.84 3i7b s SER 147 N 2.65 4.30 0.32 6.13 1.04 -1.26 0.82 113.70 127.70 3i7b s SER 147 Ca -0.03 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 54.87 3i7b s SER 147 Cb -0.12 0.55 0.53 0.00 0.10 0.00 0.00 66.02 67.08 3i7b s SER 147 CO -0.15 -0.96 1.91 -0.33 0.98 0.00 0.00 173.24 174.69 3i7b h GLU 148 N 1.14 0.77 -0.29 4.02 5.08 -1.91 -2.30 114.58 121.08 3i7b h GLU 148 Ca -0.42 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 57.85 3i7b h GLU 148 Cb 1.32 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3i7b h GLU 148 CO 0.68 0.63 0.13 0.28 -1.00 0.00 0.00 179.01 179.74 3i7b h VAL 149 N 0.76 0.97 -0.53 3.13 2.07 -1.91 0.15 116.25 120.89 3i7b h VAL 149 Ca 0.18 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3i7b h VAL 149 Cb 0.15 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3i7b h VAL 149 CO -0.02 0.05 0.34 0.44 0.02 0.00 0.00 177.57 178.40 3i7b h ASP 150 N 0.29 0.61 -0.81 0.57 3.32 -1.82 -0.92 116.42 117.66 3i7b h ASP 150 Ca 0.12 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3i7b h ASP 150 Cb 0.05 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 3i7b h ASP 150 CO -0.10 0.46 0.37 0.00 -1.72 0.00 0.00 179.24 178.25 3i7b h ALA 151 N 1.18 1.04 -0.57 3.45 0.00 -1.12 -2.58 119.26 120.67 3i7b h ALA 151 Ca 0.19 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3i7b h ALA 151 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3i7b h ALA 151 CO -0.04 0.63 0.05 0.00 0.00 0.00 0.00 179.25 179.89 3i7b h ALA 152 N 1.19 0.77 -0.77 0.00 0.00 -0.27 -1.28 119.26 118.90 3i7b h ALA 152 Ca 0.27 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3i7b h ALA 152 Cb 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3i7b h ALA 152 CO -0.03 0.55 0.34 0.00 0.00 0.00 0.00 179.25 180.11 3i7b h ARG 153 N 0.87 1.12 0.34 0.00 3.08 -1.06 0.16 114.38 118.89 3i7b h ARG 153 Ca 0.17 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3i7b h ARG 153 Cb 0.48 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i7b h ARG 153 CO 0.02 0.89 -0.16 0.82 -1.07 0.00 0.00 179.97 180.47 3i7b h ILE 154 N 1.09 0.68 -0.01 2.04 2.04 -1.27 -2.98 117.51 119.10 3i7b h ILE 154 Ca 0.26 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 3i7b h ILE 154 Cb 0.16 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3i7b h ILE 154 CO -0.03 0.05 -0.33 0.40 0.00 0.00 0.00 178.15 178.24 3i7b h ILE 155 N -0.58 1.24 -0.65 -0.67 1.08 -1.10 -2.47 117.51 114.36 3i7b h ILE 155 Ca -0.05 -1.16 -0.06 0.00 -0.39 0.00 0.00 64.86 63.20 3i7b h ILE 155 Cb 0.43 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 35.76 3i7b h ILE 155 CO 0.08 0.33 0.17 -0.09 -0.69 0.00 0.00 178.15 177.95 3i7b h ARG 156 N 0.02 1.01 -0.27 2.37 2.43 -0.96 0.09 114.38 119.08 3i7b h ARG 156 Ca 0.00 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3i7b h ARG 156 Cb 0.60 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3i7b h ARG 156 CO 0.04 0.89 0.03 1.96 -1.51 0.00 0.00 179.97 181.38 3i7b h GLN 157 N 0.97 0.46 -0.17 0.20 4.20 -1.29 -0.04 115.11 119.44 3i7b h GLN 157 Ca 0.21 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3i7b h GLN 157 Cb 0.32 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3i7b h GLN 157 CO -0.00 0.60 0.11 0.28 -0.67 0.00 0.00 178.83 179.14 3i7b h VAL 158 N 0.26 1.05 -0.38 -0.54 2.07 -1.27 -1.95 116.25 115.49 3i7b h VAL 158 Ca 0.08 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3i7b h VAL 158 Cb 0.37 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3i7b h VAL 158 CO 0.01 0.05 0.12 -0.07 0.02 0.00 0.00 177.57 177.70 3i7b h LEU 159 N 0.23 0.49 -0.09 2.57 3.38 -0.90 -1.12 115.31 119.86 3i7b h LEU 159 Ca 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i7b h LEU 159 Cb -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3i7b h LEU 159 CO -0.01 0.47 0.01 -1.28 0.09 0.00 0.00 178.44 177.71 3i7b h SER 160 N 0.53 0.16 -0.40 -0.43 0.87 -0.63 -0.36 113.55 113.29 3i7b h SER 160 Ca 0.13 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3i7b h SER 160 Cb 0.15 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3i7b h SER 160 CO -0.01 0.41 0.27 1.23 -0.53 0.00 0.00 176.83 178.20 3i7b h GLY 161 N -0.10 0.57 1.03 5.77 0.00 -1.15 -2.41 103.07 106.78 3i7b h GLY 161 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3i7b h GLY 161 CO 0.00 0.21 0.28 -2.22 0.00 0.00 0.00 176.54 174.81 3i7b h ILE 162 N 0.55 1.25 -0.66 2.60 2.04 -1.16 -1.90 117.51 120.24 3i7b h ILE 162 Ca 0.15 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3i7b h ILE 162 Cb -0.06 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3i7b h ILE 162 CO -0.03 0.33 0.39 0.74 0.00 0.00 0.00 178.15 179.57 3i7b h THR 163 N 1.05 1.20 -0.45 -0.27 2.02 -0.92 -0.85 112.91 114.69 3i7b h THR 163 Ca 0.24 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 3i7b h THR 163 Cb 0.23 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3i7b h THR 163 CO -0.02 0.21 0.08 0.22 0.37 0.00 0.00 175.52 176.38 3i7b h TYR 164 N 0.89 0.79 -0.40 3.16 3.20 -1.15 -2.23 116.97 121.23 3i7b h TYR 164 Ca 0.23 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 3i7b h TYR 164 Cb -0.01 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3i7b h TYR 164 CO -0.01 0.74 -0.14 0.52 -1.64 0.00 0.00 178.16 177.62 3i7b h MET 165 N 0.61 0.81 -0.61 1.82 2.86 -1.18 -3.05 114.93 116.18 3i7b h MET 165 Ca 0.14 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3i7b h MET 165 Cb 0.37 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3i7b h MET 165 CO 0.01 0.95 0.35 0.45 1.06 0.00 0.00 176.91 179.73 3i7b h HIS 166 N 0.62 0.81 -0.68 -0.22 3.86 -1.14 -0.06 115.15 118.33 3i7b h HIS 166 Ca 0.10 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.44 3i7b h HIS 166 Cb 0.68 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 3i7b h HIS 166 CO 0.05 0.55 0.46 0.87 0.86 0.00 0.00 177.93 180.73 3i7b h LYS 167 N 0.85 0.37 -0.64 2.45 1.57 -1.29 -0.88 116.57 119.00 3i7b h LYS 167 Ca 0.22 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3i7b h LYS 167 Cb -0.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3i7b h LYS 167 CO -0.04 0.24 0.00 0.09 -0.57 0.00 0.00 179.45 179.18 3i7b n ASN 168 N -4.47 4.86 -2.32 0.86 4.13 -0.13 -4.94 115.26 113.25 3i7b n ASN 168 Ca 0.12 -2.63 -0.20 0.00 1.68 0.00 0.00 54.58 53.55 3i7b n ASN 168 Cb 0.48 -0.61 -0.00 0.00 -1.54 0.00 0.00 39.78 38.10 3i7b n ASN 168 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3i7b n LYS 169 N 0.78 -1.98 -4.09 3.52 5.02 -0.34 -4.99 118.16 116.10 3i7b n LYS 169 Ca 0.24 0.94 -0.35 0.00 -2.02 0.00 0.00 58.31 57.13 3i7b n LYS 169 Cb 0.97 -5.55 -0.12 0.00 -0.02 0.00 0.00 35.03 30.31 3i7b n LYS 169 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i7b s ILE 170 N -3.00 4.12 0.09 -0.18 1.01 -0.64 -5.00 121.20 117.60 3i7b s ILE 170 Ca 0.04 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.49 3i7b s ILE 170 Cb -0.02 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3i7b s ILE 170 CO 0.05 0.43 -0.06 -0.69 0.00 0.00 0.00 174.94 174.67 3i7b s VAL 171 N 0.85 3.65 -0.15 2.92 1.01 -1.26 -3.58 120.40 123.83 3i7b s VAL 171 Ca 0.01 -1.11 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 3i7b s VAL 171 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3i7b s VAL 171 CO 0.02 0.14 -0.14 1.57 0.00 0.00 0.00 175.10 176.69 3i7b n HIS 172 N 0.73 0.88 0.00 5.22 -0.00 -1.26 -2.36 115.22 118.44 3i7b n HIS 172 Ca -0.13 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.44 3i7b n HIS 172 Cb 0.52 -0.80 0.00 0.00 -0.12 0.00 0.00 29.99 29.59 3i7b n HIS 172 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 3i7b n ARG 173 N -4.58 0.00 -1.32 1.57 0.63 -1.26 -4.46 116.66 107.24 3i7b n ARG 173 Ca -0.11 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.66 3i7b n ARG 173 Cb 0.34 -0.12 0.12 0.00 0.45 0.00 0.00 32.46 33.24 3i7b n ARG 173 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3i7b n ASP 174 N 1.18 4.10 -4.71 6.15 8.00 -1.26 -4.80 116.55 125.21 3i7b n ASP 174 Ca 0.00 -3.79 -0.42 0.00 0.71 0.00 0.00 54.79 51.29 3i7b n ASP 174 Cb 0.00 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.49 3i7b n ASP 174 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i7b s LEU 175 N -3.47 4.36 0.21 0.64 2.96 -1.26 -4.91 118.68 117.21 3i7b s LEU 175 Ca 0.50 2.45 -0.22 0.00 -0.22 0.00 0.00 54.13 56.63 3i7b s LEU 175 Cb 0.42 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.58 3i7b s LEU 175 CO 0.01 -0.76 0.67 -1.59 -1.32 0.00 0.00 176.35 173.35 3i7b s LYS 176 N 1.49 1.49 0.28 1.98 -2.85 -1.26 -4.83 119.74 116.04 3i7b s LYS 176 Ca 0.68 -0.71 0.01 0.00 -1.00 0.00 0.00 55.97 54.96 3i7b s LYS 176 Cb -0.40 0.59 0.61 0.00 -2.06 0.00 0.00 37.83 36.57 3i7b s LYS 176 CO 0.31 -0.67 1.75 -1.35 0.10 0.00 0.00 175.35 175.49 3i7b h PRO 177 N 2.00 0.59 -0.42 1.78 0.11 -1.96 0.10 132.00 134.20 3i7b h PRO 177 Ca -0.27 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.93 3i7b h PRO 177 Cb 1.28 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3i7b h PRO 177 CO 0.31 0.39 0.44 0.93 -0.21 0.00 0.00 178.00 179.86 3i7b h GLU 178 N 0.61 0.00 -0.22 1.05 5.08 -1.97 0.13 114.58 119.27 3i7b h GLU 178 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3i7b h GLU 178 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3i7b h GLU 178 CO -0.40 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.70 3i7b n ASN 179 N -3.76 1.77 -4.20 1.42 3.02 0.02 -4.69 115.26 108.84 3i7b n ASN 179 Ca 0.08 -1.78 -0.40 0.00 -0.03 0.00 0.00 54.58 52.44 3i7b n ASN 179 Cb 0.62 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.56 3i7b n ASN 179 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i7b s LEU 180 N -1.44 5.67 0.16 3.41 1.43 0.03 -1.00 118.68 126.94 3i7b s LEU 180 Ca 0.31 -1.97 -0.01 0.00 -1.03 0.00 0.00 54.13 51.43 3i7b s LEU 180 Cb 0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3i7b s LEU 180 CO 0.24 -0.67 0.34 -0.76 0.23 0.00 0.00 176.35 175.73 3i7b s LEU 181 N 1.28 4.28 0.06 1.79 1.43 -0.37 -0.98 118.68 126.16 3i7b s LEU 181 Ca 0.06 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3i7b s LEU 181 Cb -0.25 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 3i7b s LEU 181 CO -0.01 0.03 0.16 -0.76 0.23 0.00 0.00 176.35 176.00 3i7b s LEU 182 N -3.03 4.17 0.32 1.79 1.43 0.73 0.06 118.68 124.14 3i7b s LEU 182 Ca 0.38 0.19 0.16 0.00 -1.03 0.00 0.00 54.13 53.82 3i7b s LEU 182 Cb -0.12 -2.74 0.45 0.00 0.03 0.00 0.00 46.19 43.81 3i7b s LEU 182 CO 0.28 0.19 1.63 -0.33 0.23 0.00 0.00 176.35 178.34 3i7b h GLU 183 N 3.28 0.00 -3.32 1.70 5.08 -1.71 -0.32 114.58 119.29 3i7b h GLU 183 Ca -0.46 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 3i7b h GLU 183 Cb 1.16 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 3i7b h GLU 183 CO 0.72 0.50 -0.23 -1.54 -1.00 0.00 0.00 179.01 177.45 3i7b s SER 184 N -6.55 -0.13 -1.23 1.42 1.04 -1.26 -3.66 113.70 103.33 3i7b s SER 184 Ca 0.00 -0.21 -0.20 0.00 0.48 0.00 0.00 55.95 56.02 3i7b s SER 184 Cb 0.11 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3i7b s SER 184 CO 0.72 -0.64 1.87 1.17 0.98 0.00 0.00 173.24 177.34 3i7b n LYS 185 N 0.48 2.43 -3.61 4.02 4.81 -1.25 -4.61 118.16 120.44 3i7b n LYS 185 Ca -0.18 -2.81 -0.16 0.00 -0.87 0.00 0.00 58.31 54.29 3i7b n LYS 185 Cb 0.60 -3.53 -0.07 0.00 0.02 0.00 0.00 35.03 32.05 3i7b n LYS 185 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i7b s SER 186 N 5.06 -0.47 0.28 3.14 0.15 -1.26 -5.03 113.70 115.57 3i7b s SER 186 Ca 0.59 0.43 0.24 0.00 0.70 0.00 0.00 55.95 57.92 3i7b s SER 186 Cb 0.04 0.45 1.02 0.00 -1.71 0.00 0.00 66.02 65.82 3i7b s SER 186 CO 0.09 -0.57 1.73 0.07 1.20 0.00 0.00 173.24 175.77 3i7b h LYS 187 N 3.27 0.00 -0.01 5.44 2.10 -1.95 -2.88 116.57 122.54 3i7b h LYS 187 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3i7b h LYS 187 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3i7b h LYS 187 CO 0.40 0.00 -0.41 -0.25 -2.00 0.00 0.00 179.45 177.19 3i7b n ASP 188 N -2.30 1.41 -4.83 7.07 8.00 -1.26 -4.97 116.55 119.67 3i7b n ASP 188 Ca 0.02 -1.12 -0.32 0.00 0.71 0.00 0.00 54.79 54.07 3i7b n ASP 188 Cb 0.23 0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 3i7b n ASP 188 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i7b s ALA 189 N -2.55 2.97 0.41 2.24 0.00 -1.09 -5.03 121.76 118.71 3i7b s ALA 189 Ca 0.20 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 3i7b s ALA 189 Cb 0.18 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 3i7b s ALA 189 CO 0.57 -0.42 1.07 -0.80 0.00 0.00 0.00 175.76 176.18 3i7b s ASN 190 N -3.00 6.65 0.03 0.00 0.01 -1.26 -4.84 114.94 112.52 3i7b s ASN 190 Ca 0.60 2.07 -0.20 0.00 -0.71 0.00 0.00 52.86 54.63 3i7b s ASN 190 Cb -0.12 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 38.90 3i7b s ASN 190 CO 0.33 -0.57 0.59 -0.63 -1.51 0.00 0.00 177.10 175.31 3i7b s ILE 191 N -1.66 4.84 -0.16 0.60 1.01 -1.26 -1.92 121.20 122.66 3i7b s ILE 191 Ca 0.59 1.24 0.02 0.00 0.00 0.00 0.00 60.65 62.50 3i7b s ILE 191 Cb -0.23 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3i7b s ILE 191 CO 0.28 0.47 -0.21 -0.13 0.00 0.00 0.00 174.94 175.35 3i7b s ARG 192 N -0.53 3.02 -0.07 2.79 1.81 0.11 -4.16 118.95 121.92 3i7b s ARG 192 Ca 0.30 -0.84 -0.27 0.00 -1.72 0.00 0.00 55.73 53.20 3i7b s ARG 192 Cb -0.19 -2.50 -0.02 0.00 -0.45 0.00 0.00 34.95 31.79 3i7b s ARG 192 CO 0.18 -0.09 0.88 0.42 -0.68 0.00 0.00 175.30 176.01 3i7b s ILE 193 N 1.01 4.90 0.12 1.52 1.01 0.15 -1.24 121.20 128.66 3i7b s ILE 193 Ca -0.02 1.81 0.04 0.00 0.00 0.00 0.00 60.65 62.48 3i7b s ILE 193 Cb -0.15 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3i7b s ILE 193 CO -0.06 0.12 0.11 0.27 0.00 0.00 0.00 174.94 175.38 3i7b s ILE 194 N 1.40 4.55 0.00 2.92 -4.36 -0.17 -1.36 121.20 124.18 3i7b s ILE 194 Ca 0.45 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.95 3i7b s ILE 194 Cb -0.19 -3.25 0.00 0.00 1.25 0.00 0.00 42.46 40.27 3i7b s ILE 194 CO 0.20 0.02 0.00 0.47 0.24 0.00 0.00 174.94 175.87 3i7b n ASP 195 N 0.09 -2.40 -4.67 4.36 8.00 -1.26 -4.84 116.55 115.82 3i7b n ASP 195 Ca -0.08 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 54.97 3i7b n ASP 195 Cb 0.53 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 3i7b n ASP 195 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i7b n PHE 196 N -2.80 2.11 0.00 1.24 3.01 -1.26 -2.70 117.46 117.06 3i7b n PHE 196 Ca 0.00 0.47 0.00 0.00 1.01 0.00 0.00 57.45 58.93 3i7b n PHE 196 Cb 0.00 -2.44 0.00 0.00 -0.01 0.00 0.00 39.48 37.03 3i7b n PHE 196 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i7b n GLY 197 N 1.88 3.02 0.34 1.37 0.00 -0.99 -4.89 105.19 105.91 3i7b n GLY 197 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 3i7b n GLY 197 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i7b h LEU 198 N 0.00 1.08 -1.34 0.99 3.38 -1.79 -3.00 115.31 114.62 3i7b h LEU 198 Ca 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3i7b h LEU 198 Cb 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3i7b h LEU 198 CO 0.00 0.98 -0.03 0.77 0.09 0.00 0.00 178.44 180.25 3i7b h SER 199 N 1.12 0.00 0.42 -0.43 4.64 -1.79 -1.33 113.55 116.17 3i7b h SER 199 Ca 0.25 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 3i7b h SER 199 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3i7b h SER 199 CO -0.01 0.03 -0.25 0.74 -0.87 0.00 0.00 176.83 176.47 3i7b h THR 200 N 0.00 0.93 0.00 2.95 2.02 -1.83 -3.35 112.91 113.63 3i7b h THR 200 Ca -0.00 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 3i7b h THR 200 Cb 0.57 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3i7b h THR 200 CO 0.00 0.24 -0.99 1.41 0.37 0.00 0.00 175.52 176.56 3i7b n HIS 201 N -3.87 0.00 -4.45 3.16 8.25 -0.75 -4.49 115.22 113.06 3i7b n HIS 201 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 3i7b n HIS 201 Cb 0.34 -0.10 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 3i7b n HIS 201 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i7b s PHE 202 N -2.19 1.10 0.03 4.41 0.08 -0.58 -0.35 117.98 120.49 3i7b s PHE 202 Ca -0.01 -0.26 -0.20 0.00 0.12 0.00 0.00 56.93 56.58 3i7b s PHE 202 Cb 0.04 -0.69 -0.06 0.00 -0.57 0.00 0.00 43.02 41.74 3i7b s PHE 202 CO 0.27 -0.00 0.59 -1.21 -0.10 0.00 0.00 175.22 174.77 3i7b s GLU 203 N -0.61 4.28 0.36 0.44 2.02 -0.69 -4.53 118.70 119.98 3i7b s GLU 203 Ca 0.03 0.75 -0.26 0.00 0.02 0.00 0.00 54.97 55.52 3i7b s GLU 203 Cb -0.06 -3.30 -0.09 0.00 0.10 0.00 0.00 34.13 30.78 3i7b s GLU 203 CO 0.00 0.48 1.07 0.00 0.02 0.00 0.00 175.26 176.83 3i7b s ALA 204 N -0.58 3.18 0.48 5.21 0.00 -1.26 -4.49 121.76 124.31 3i7b s ALA 204 Ca 0.30 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 52.85 3i7b s ALA 204 Cb -0.19 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 3i7b s ALA 204 CO 0.18 -0.21 0.98 -1.54 0.00 0.00 0.00 175.76 175.17 3i7b s SER 205 N -1.34 6.69 0.00 0.00 1.04 -1.26 -4.97 113.70 113.86 3i7b s SER 205 Ca 0.54 1.67 0.19 0.00 0.48 0.00 0.00 55.95 58.83 3i7b s SER 205 Cb -0.25 -2.53 0.83 0.00 0.10 0.00 0.00 66.02 64.17 3i7b s SER 205 CO 0.32 -0.54 1.58 0.29 0.98 0.00 0.00 173.24 175.87 3i7b n LYS 206 N -1.14 1.47 -2.14 4.02 4.01 -1.26 -4.61 118.16 118.50 3i7b n LYS 206 Ca 0.07 -0.70 -0.42 0.00 -0.51 0.00 0.00 58.31 56.75 3i7b n LYS 206 Cb 0.54 -1.34 -0.03 0.00 -0.51 0.00 0.00 35.03 33.69 3i7b n LYS 206 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3i7b s LYS 207 N -1.86 4.31 0.29 1.97 1.02 -1.26 -4.92 119.74 119.30 3i7b s LYS 207 Ca 0.29 2.11 0.02 0.00 0.02 0.00 0.00 55.97 58.42 3i7b s LYS 207 Cb 0.15 -3.23 0.45 0.00 -0.52 0.00 0.00 37.83 34.69 3i7b s LYS 207 CO 0.23 -0.44 1.78 1.98 -0.92 0.00 0.00 175.35 177.98 3i7b h MET 208 N 6.64 0.57 -0.04 1.68 1.85 -1.94 -1.14 114.93 122.56 3i7b h MET 208 Ca -0.42 -0.17 0.01 0.00 -0.61 0.00 0.00 59.70 58.51 3i7b h MET 208 Cb 1.21 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.18 3i7b h MET 208 CO 0.86 0.68 0.03 1.57 -0.40 0.00 0.00 176.91 179.65 3i7b h LYS 209 N 0.53 0.00 0.02 0.39 2.10 -1.93 0.27 116.57 117.95 3i7b h LYS 209 Ca 0.10 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.48 3i7b h LYS 209 Cb 0.50 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.80 3i7b h LYS 209 CO 0.03 0.00 -1.46 -0.44 -2.00 0.00 0.00 179.45 175.58 3i7b h ASP 210 N 0.00 0.07 -0.38 7.07 3.32 -1.60 -3.38 116.42 121.51 3i7b h ASP 210 Ca 0.02 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3i7b h ASP 210 Cb 0.08 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3i7b h ASP 210 CO -0.00 1.09 0.00 2.29 -1.72 0.00 0.00 179.24 180.90 3i7b n LYS 211 N -3.22 3.05 -1.98 3.56 2.85 -0.64 -4.98 118.16 116.81 3i7b n LYS 211 Ca -0.12 -2.48 -0.41 0.00 -1.05 0.00 0.00 58.31 54.25 3i7b n LYS 211 Cb 1.01 -1.58 -0.02 0.00 -0.65 0.00 0.00 35.03 33.79 3i7b n LYS 211 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3i7b s ILE 212 N -1.76 2.53 0.00 0.58 1.01 0.90 -3.32 121.20 121.14 3i7b s ILE 212 Ca 0.35 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.47 3i7b s ILE 212 Cb 0.23 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3i7b s ILE 212 CO 0.15 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3i7b n GLY 213 N 1.72 0.77 0.09 6.18 0.00 -1.26 -4.90 105.19 107.78 3i7b n GLY 213 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3i7b n GLY 213 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i7b h THR 214 N 0.00 1.21 -0.21 2.61 1.35 -1.93 -3.37 112.91 112.57 3i7b h THR 214 Ca 0.00 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 3i7b h THR 214 Cb 0.03 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 3i7b h THR 214 CO 0.00 0.69 0.14 0.00 -0.25 0.00 0.00 175.52 176.10 3i7b h ALA 215 N 1.18 1.85 0.00 6.62 0.00 -1.91 -2.97 119.26 124.02 3i7b h ALA 215 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i7b h ALA 215 Cb 1.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3i7b h ALA 215 CO 0.10 0.14 -0.09 1.88 0.00 0.00 0.00 179.25 181.28 3i7b h TYR 216 N 0.29 0.00 0.00 0.00 0.05 -1.86 -3.28 116.97 112.17 3i7b h TYR 216 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3i7b h TYR 216 Cb -0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 3i7b h TYR 216 CO 0.00 0.09 -0.61 0.66 -1.05 0.00 0.00 178.16 177.26 3i7b n TYR 217 N -4.36 0.00 -2.52 4.88 4.01 -1.12 -4.78 117.16 113.26 3i7b n TYR 217 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 3i7b n TYR 217 Cb 0.17 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.13 3i7b n TYR 217 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3i7b s ILE 218 N -2.04 3.87 0.40 -0.72 2.07 -1.23 -4.01 121.20 119.54 3i7b s ILE 218 Ca 0.03 1.62 -0.25 0.00 -1.41 0.00 0.00 60.65 60.64 3i7b s ILE 218 Cb 0.07 -4.03 -0.09 0.00 0.13 0.00 0.00 42.46 38.54 3i7b s ILE 218 CO 0.41 0.28 1.13 0.00 -1.91 0.00 0.00 174.94 174.85 3i7b s ALA 219 N -0.25 3.13 0.30 1.50 0.00 -1.26 -4.94 121.76 120.24 3i7b s ALA 219 Ca 0.49 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.37 3i7b s ALA 219 Cb -0.29 -3.35 0.58 0.00 0.00 0.00 0.00 23.12 20.06 3i7b s ALA 219 CO 0.35 -0.44 1.86 -1.35 0.00 0.00 0.00 175.76 176.18 3i7b h PRO 220 N 2.62 0.94 0.00 0.00 0.11 -1.93 -1.42 132.00 132.32 3i7b h PRO 220 Ca -0.49 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 3i7b h PRO 220 Cb 1.23 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3i7b h PRO 220 CO 0.62 0.62 -0.11 1.05 -0.21 0.00 0.00 178.00 179.98 3i7b h GLU 221 N 0.97 0.00 -0.40 1.05 9.09 -1.90 -1.57 114.58 121.82 3i7b h GLU 221 Ca 0.47 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.73 3i7b h GLU 221 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.55 3i7b h GLU 221 CO -0.23 0.11 -0.35 0.28 0.05 0.00 0.00 179.01 178.87 3i7b h VAL 222 N 0.00 1.27 -0.67 -1.06 2.07 -1.48 -1.65 116.25 114.73 3i7b h VAL 222 Ca -0.00 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.02 3i7b h VAL 222 Cb 0.53 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3i7b h VAL 222 CO 0.01 0.51 0.44 -0.07 0.02 0.00 0.00 177.57 178.49 3i7b h LEU 223 N 0.76 0.74 0.00 2.57 3.38 -1.15 -2.95 115.31 118.66 3i7b h LEU 223 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i7b h LEU 223 Cb 0.93 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3i7b h LEU 223 CO 0.09 0.53 -0.74 1.41 0.09 0.00 0.00 178.44 179.82 3i7b n HIS 224 N -4.44 0.34 0.00 1.13 8.25 -1.05 -4.99 115.22 114.45 3i7b n HIS 224 Ca 0.07 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3i7b n HIS 224 Cb 0.07 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.69 3i7b n HIS 224 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i7b n GLY 225 N 1.38 2.06 3.42 -1.41 0.00 -0.64 -5.05 105.19 104.95 3i7b n GLY 225 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3i7b n GLY 225 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i7b s THR 226 N -2.10 5.21 0.09 2.61 2.01 -1.11 -4.95 115.64 117.40 3i7b s THR 226 Ca 0.00 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 3i7b s THR 226 Cb 0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 3i7b s THR 226 CO 0.00 -0.51 0.09 -0.72 -0.69 0.00 0.00 174.62 172.80 3i7b s TYR 227 N 1.75 0.43 0.00 4.92 -0.85 -1.26 -4.49 117.35 117.85 3i7b s TYR 227 Ca 0.05 -0.90 0.00 0.00 -0.52 0.00 0.00 57.07 55.71 3i7b s TYR 227 Cb -0.22 -0.25 0.00 0.00 0.38 0.00 0.00 41.96 41.87 3i7b s TYR 227 CO 0.08 -0.49 0.00 -0.40 -1.52 0.00 0.00 175.55 173.22 3i7b n ASP 228 N -0.02 0.00 0.15 -0.18 5.68 -1.26 -5.04 116.55 115.88 3i7b n ASP 228 Ca -0.12 -0.85 0.19 0.00 -0.50 0.00 0.00 54.79 53.51 3i7b n ASP 228 Cb 0.62 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.37 3i7b n ASP 228 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i7b h GLU 229 N 0.00 0.00 0.00 0.11 9.09 -1.99 -1.90 114.58 119.89 3i7b h GLU 229 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i7b h GLU 229 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3i7b h GLU 229 CO 0.00 0.00 -0.02 0.87 0.05 0.00 0.00 179.01 179.91 3i7b h LYS 230 N 0.00 0.00 -0.02 1.06 1.79 -1.95 -1.99 116.57 115.47 3i7b h LYS 230 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3i7b h LYS 230 Cb 0.95 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3i7b h LYS 230 CO -0.00 0.02 0.01 0.00 -1.08 0.00 0.00 179.45 178.40 3i7b h ASP 232 N 0.00 0.11 -0.45 0.00 3.32 -1.58 -2.41 116.42 115.41 3i7b h ASP 232 Ca 0.01 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 3i7b h ASP 232 Cb 0.03 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3i7b h ASP 232 CO -0.00 0.63 -0.13 0.58 -1.72 0.00 0.00 179.24 178.60 3i7b h VAL 233 N 0.07 1.27 -0.05 -1.35 2.07 -1.43 -2.36 116.25 114.48 3i7b h VAL 233 Ca -0.00 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 3i7b h VAL 233 Cb 0.99 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3i7b h VAL 233 CO 0.08 0.44 0.02 -0.25 0.02 0.00 0.00 177.57 177.88 3i7b h TRP 234 N 0.82 0.07 -0.68 1.57 2.91 -1.27 -0.82 115.95 118.55 3i7b h TRP 234 Ca 0.13 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.14 3i7b h TRP 234 Cb 0.67 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.27 3i7b h TRP 234 CO 0.04 0.17 0.43 0.77 -1.03 0.00 0.00 178.44 178.82 3i7b h SER 235 N -0.05 0.80 -0.28 2.65 0.02 -1.42 -0.68 113.55 114.59 3i7b h SER 235 Ca 0.02 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 3i7b h SER 235 Cb 0.13 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3i7b h SER 235 CO -0.00 0.60 -0.22 0.74 -1.14 0.00 0.00 176.83 176.80 3i7b h THR 236 N 0.93 1.27 -0.82 -2.27 2.02 -1.21 -1.82 112.91 111.01 3i7b h THR 236 Ca 0.25 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 3i7b h THR 236 Cb -0.07 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3i7b h THR 236 CO -0.05 0.44 0.42 1.23 0.37 0.00 0.00 175.52 177.93 3i7b h GLY 237 N 0.97 1.25 0.97 2.16 0.00 -0.15 0.24 103.07 108.51 3i7b h GLY 237 Ca 0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 3i7b h GLY 237 CO 0.06 0.57 0.18 -2.08 0.00 0.00 0.00 176.54 175.27 3i7b h VAL 238 N 1.16 1.22 -0.51 4.60 2.07 -0.88 -1.08 116.25 122.82 3i7b h VAL 238 Ca 0.29 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3i7b h VAL 238 Cb 0.08 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3i7b h VAL 238 CO -0.04 0.27 0.23 0.40 0.02 0.00 0.00 177.57 178.45 3i7b h ILE 239 N 0.68 1.20 -0.42 4.57 2.04 -0.96 -1.93 117.51 122.68 3i7b h ILE 239 Ca 0.17 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.46 3i7b h ILE 239 Cb 0.23 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3i7b h ILE 239 CO -0.01 0.23 0.25 0.25 0.00 0.00 0.00 178.15 178.87 3i7b h LEU 240 N 0.68 0.41 -1.01 1.44 5.85 -0.77 -0.98 115.31 120.93 3i7b h LEU 240 Ca 0.17 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.00 3i7b h LEU 240 Cb 0.14 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 3i7b h LEU 240 CO -0.02 0.30 0.64 0.22 -0.34 0.00 0.00 178.44 179.24 3i7b h TYR 241 N 0.51 1.17 -0.35 1.25 3.20 -0.89 -1.81 116.97 120.05 3i7b h TYR 241 Ca 0.17 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.90 3i7b h TYR 241 Cb 0.00 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 37.90 3i7b h TYR 241 CO -0.07 0.51 -0.44 0.82 -1.64 0.00 0.00 178.16 177.34 3i7b h ILE 242 N 1.06 1.27 -0.71 1.81 2.04 -0.91 -2.27 117.51 119.80 3i7b h ILE 242 Ca 0.48 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 3i7b h ILE 242 Cb 0.39 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3i7b h ILE 242 CO -0.24 0.54 0.42 -0.07 0.00 0.00 0.00 178.15 178.80 3i7b h LEU 243 N 0.72 0.85 0.00 1.44 3.38 -0.51 0.95 115.31 122.13 3i7b h LEU 243 Ca 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3i7b h LEU 243 Cb 1.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3i7b h LEU 243 CO 0.10 0.66 -0.81 -0.07 0.09 0.00 0.00 178.44 178.42 3i7b h LEU 244 N 0.98 0.00 0.00 1.67 3.38 -1.33 -3.40 115.31 116.61 3i7b h LEU 244 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3i7b h LEU 244 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i7b h LEU 244 CO -0.05 0.11 -0.72 -1.54 0.09 0.00 0.00 178.44 176.33 3i7b n SER 245 N -2.83 3.60 0.00 -0.43 3.41 -0.86 -4.79 113.62 111.72 3i7b n SER 245 Ca -0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3i7b n SER 245 Cb 0.60 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 3i7b n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7b n GLY 246 N 1.93 0.54 3.03 5.00 0.00 0.33 -4.21 105.19 111.81 3i7b n GLY 246 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3i7b n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7b s PRO 248 N -0.16 4.05 0.30 0.00 0.05 -1.26 -4.07 135.00 133.92 3i7b s PRO 248 Ca 0.03 1.93 0.04 0.00 0.05 0.00 0.00 61.00 63.05 3i7b s PRO 248 Cb -0.05 -2.72 0.48 0.00 0.05 0.00 0.00 34.50 32.27 3i7b s PRO 248 CO -0.00 -0.35 1.77 -1.00 0.05 0.00 0.00 177.00 177.46 3i7b h PRO 249 N 2.69 0.46 -4.52 0.56 0.13 -1.91 -3.36 132.00 126.05 3i7b h PRO 249 Ca -0.49 -0.15 -0.69 0.00 -0.87 0.00 0.00 66.00 63.80 3i7b h PRO 249 Cb 1.24 -0.04 -0.35 0.00 0.13 0.00 0.00 31.00 31.98 3i7b h PRO 249 CO 0.63 0.64 -0.57 -0.06 -0.23 0.00 0.00 178.00 178.40 3i7b s PHE 250 N -4.60 3.57 0.31 1.56 0.08 -1.26 -4.73 117.98 112.91 3i7b s PHE 250 Ca -0.07 -2.40 0.11 0.00 0.12 0.00 0.00 56.93 54.68 3i7b s PHE 250 Cb 0.14 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 3i7b s PHE 250 CO 0.78 -0.96 -0.12 1.21 -0.10 0.00 0.00 175.22 176.03 3i7b s ASN 251 N 1.72 3.80 -0.15 1.36 3.84 -1.26 -4.76 114.94 119.50 3i7b s ASN 251 Ca 0.07 -1.05 -0.34 0.00 0.21 0.00 0.00 52.86 51.75 3i7b s ASN 251 Cb -0.22 -0.40 0.15 0.00 -0.55 0.00 0.00 41.25 40.23 3i7b s ASN 251 CO -0.04 -0.08 1.41 -0.83 -2.79 0.00 0.00 177.10 174.77 3i7b s GLY 252 N -3.59 -0.41 0.26 1.21 0.00 -1.26 -4.50 107.32 99.03 3i7b s GLY 252 Ca 0.32 1.23 0.13 0.00 0.00 0.00 0.00 44.72 46.40 3i7b s GLY 252 CO 0.17 0.31 1.51 0.00 0.00 0.00 0.00 173.10 175.09 3i7b h ALA 253 N 2.00 0.73 -2.84 3.20 0.00 -1.95 -3.45 119.26 116.95 3i7b h ALA 253 Ca -0.24 -0.58 -0.23 0.00 0.00 0.00 0.00 54.91 53.86 3i7b h ALA 253 Cb 1.17 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 3i7b h ALA 253 CO 0.26 0.80 -0.28 0.54 0.00 0.00 0.00 179.25 180.58 3i7b s ASN 254 N -6.61 0.56 0.14 0.00 2.20 -1.26 -2.53 114.94 107.44 3i7b s ASN 254 Ca 0.01 -1.34 -0.22 0.00 -0.94 0.00 0.00 52.86 50.36 3i7b s ASN 254 Cb 0.10 0.58 0.01 0.00 -2.00 0.00 0.00 41.25 39.95 3i7b s ASN 254 CO 0.76 -1.15 1.64 -0.08 -2.94 0.00 0.00 177.10 175.32 3i7b h GLU 255 N 2.25 -0.22 -0.36 3.55 4.81 -1.89 -2.25 114.58 120.47 3i7b h GLU 255 Ca -0.29 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.02 3i7b h GLU 255 Cb 1.24 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 3i7b h GLU 255 CO 0.40 -0.15 0.04 -0.92 -0.73 0.00 0.00 179.01 177.65 3i7b h TYR 256 N -0.23 0.05 -0.78 0.92 3.20 -1.97 -0.72 116.97 117.43 3i7b h TYR 256 Ca 0.12 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3i7b h TYR 256 Cb 0.42 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3i7b h TYR 256 CO -0.35 -0.03 0.51 -0.44 -1.64 0.00 0.00 178.16 176.21 3i7b h ASP 257 N 0.14 0.87 0.19 -2.11 3.32 -1.86 -0.76 116.42 116.21 3i7b h ASP 257 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3i7b h ASP 257 Cb 0.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3i7b h ASP 257 CO -0.26 0.62 -0.09 0.40 -1.72 0.00 0.00 179.24 178.19 3i7b h ILE 258 N 1.03 0.90 -0.43 0.35 2.04 -1.01 -2.77 117.51 117.62 3i7b h ILE 258 Ca 0.29 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3i7b h ILE 258 Cb -0.08 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3i7b h ILE 258 CO -0.08 0.12 0.26 -0.07 0.00 0.00 0.00 178.15 178.38 3i7b h LEU 259 N -0.51 0.51 -0.90 1.44 3.38 -0.93 -0.13 115.31 118.17 3i7b h LEU 259 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3i7b h LEU 259 Cb 0.39 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3i7b h LEU 259 CO 0.04 0.40 0.42 0.50 0.09 0.00 0.00 178.44 179.89 3i7b h LYS 260 N 0.59 1.20 -0.22 1.13 3.64 -1.11 -0.36 116.57 121.45 3i7b h LYS 260 Ca 0.16 -0.17 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3i7b h LYS 260 Cb -0.01 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3i7b h LYS 260 CO -0.03 0.91 -0.51 0.87 -2.27 0.00 0.00 179.45 178.42 3i7b h LYS 261 N 1.20 0.73 -0.51 1.90 1.57 -0.90 -2.33 116.57 118.22 3i7b h LYS 261 Ca 0.29 -0.50 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3i7b h LYS 261 Cb 0.10 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3i7b h LYS 261 CO -0.04 1.12 0.27 0.28 -0.57 0.00 0.00 179.45 180.51 3i7b h VAL 262 N 0.45 0.99 -0.60 0.50 2.07 -0.90 -0.88 116.25 117.87 3i7b h VAL 262 Ca -0.00 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 3i7b h VAL 262 Cb 1.13 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3i7b h VAL 262 CO 0.11 0.10 0.02 -0.08 0.02 0.00 0.00 177.57 177.74 3i7b h GLU 263 N 0.54 1.06 -0.37 1.57 4.22 -1.04 -1.68 114.58 118.88 3i7b h GLU 263 Ca 0.22 -0.33 -0.05 0.00 0.08 0.00 0.00 59.36 59.28 3i7b h GLU 263 Cb 0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3i7b h GLU 263 CO -0.14 1.03 -0.00 -0.22 -2.18 0.00 0.00 179.01 177.50 3i7b h LYS 264 N 0.96 0.58 0.00 1.92 3.64 -1.30 -3.47 116.57 118.89 3i7b h LYS 264 Ca 0.17 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3i7b h LYS 264 Cb 0.54 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3i7b h LYS 264 CO 0.03 0.60 0.00 0.41 -2.27 0.00 0.00 179.45 178.22 3i7b n GLY 265 N -0.83 0.80 3.74 5.01 0.00 -0.35 -5.02 105.19 108.54 3i7b n GLY 265 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3i7b n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7b s LYS 266 N -0.07 4.36 0.15 1.61 1.02 -1.26 -4.96 119.74 120.59 3i7b s LYS 266 Ca 0.00 0.72 -0.09 0.00 0.02 0.00 0.00 55.97 56.62 3i7b s LYS 266 Cb 0.00 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 3i7b s LYS 266 CO 0.00 0.23 0.27 1.52 -0.92 0.00 0.00 175.35 176.45 3i7b s TYR 267 N 0.29 0.34 0.17 3.18 -0.85 -1.26 -4.88 117.35 114.33 3i7b s TYR 267 Ca 0.32 -0.71 -0.01 0.00 -0.52 0.00 0.00 57.07 56.14 3i7b s TYR 267 Cb -0.17 -0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 3i7b s TYR 267 CO 0.16 -0.69 0.11 0.95 -1.52 0.00 0.00 175.55 174.56 3i7b s THR 268 N -3.94 0.05 -0.51 -3.49 -4.23 -1.26 -5.04 115.64 97.22 3i7b s THR 268 Ca 0.15 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 3i7b s THR 268 Cb 0.04 -2.26 0.47 0.00 1.34 0.00 0.00 72.50 72.08 3i7b s THR 268 CO -0.02 -0.23 1.71 0.49 -0.54 0.00 0.00 174.62 176.03 3i7b n PHE 269 N -0.19 2.91 0.18 3.99 3.72 -1.26 -4.76 117.46 122.06 3i7b n PHE 269 Ca -0.02 -2.60 0.05 0.00 -0.05 0.00 0.00 57.45 54.83 3i7b n PHE 269 Cb 0.65 -0.99 0.27 0.00 -0.94 0.00 0.00 39.48 38.47 3i7b n PHE 269 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3i7b h GLU 270 N 1.94 0.00 -6.97 -1.08 4.11 -2.00 -3.44 114.58 107.13 3i7b h GLU 270 Ca 0.50 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.40 3i7b h GLU 270 Cb 1.22 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.56 3i7b h GLU 270 CO 1.21 0.41 0.62 -0.51 0.07 0.00 0.00 179.01 180.81 3i7b s LEU 271 N -6.91 4.13 0.37 3.06 1.43 -1.26 -4.90 118.68 114.59 3i7b s LEU 271 Ca 0.01 2.70 0.07 0.00 -1.03 0.00 0.00 54.13 55.87 3i7b s LEU 271 Cb 0.10 -3.99 0.78 0.00 0.03 0.00 0.00 46.19 43.11 3i7b s LEU 271 CO 0.70 -1.02 1.97 -0.65 0.23 0.00 0.00 176.35 177.57 3i7b h PRO 272 N 2.38 0.69 0.00 1.29 0.11 -2.02 -2.21 132.00 132.25 3i7b h PRO 272 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3i7b h PRO 272 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i7b h PRO 272 CO 0.61 0.46 0.00 -0.56 -0.21 0.00 0.00 178.00 178.30 3i7b h GLN 273 N 0.71 0.00 0.00 1.05 -0.00 -1.95 -1.94 115.11 112.99 3i7b h GLN 273 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 3i7b h GLN 273 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.75 3i7b h GLN 273 CO -0.10 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.64 3i7b n TRP 274 N -2.41 0.71 0.21 0.06 7.02 -0.83 -2.38 117.44 119.81 3i7b n TRP 274 Ca 0.00 0.28 0.06 0.00 -1.02 0.00 0.00 57.50 56.82 3i7b n TRP 274 Cb 0.16 -0.95 0.45 0.00 -2.42 0.00 0.00 31.31 28.55 3i7b n TRP 274 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3i7b h LYS 275 N 0.00 0.00 0.00 -0.99 1.79 -1.55 -2.64 116.57 113.19 3i7b h LYS 275 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i7b h LYS 275 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3i7b h LYS 275 CO 0.00 0.31 0.00 1.63 -1.08 0.00 0.00 179.45 180.31 3i7b n LYS 276 N -3.83 0.63 -4.30 3.15 5.02 -1.00 -4.86 118.16 112.98 3i7b n LYS 276 Ca -0.01 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.93 3i7b n LYS 276 Cb 0.39 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 3i7b n LYS 276 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i7b s VAL 277 N -2.35 4.45 0.65 -0.18 1.01 -1.00 -5.02 120.40 117.97 3i7b s VAL 277 Ca 0.35 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 3i7b s VAL 277 Cb 0.20 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3i7b s VAL 277 CO 0.41 0.59 1.28 -0.94 0.00 0.00 0.00 175.10 176.43 3i7b s SER 278 N -0.73 4.60 0.36 3.32 1.04 -1.26 -4.93 113.70 116.10 3i7b s SER 278 Ca 0.12 2.57 0.10 0.00 0.48 0.00 0.00 55.95 59.22 3i7b s SER 278 Cb -0.12 -2.61 0.69 0.00 0.10 0.00 0.00 66.02 64.08 3i7b s SER 278 CO 0.02 -2.00 1.83 -0.08 0.98 0.00 0.00 173.24 173.99 3i7b h GLU 279 N 0.48 0.13 -0.70 4.02 4.57 -1.98 -2.86 114.58 118.24 3i7b h GLU 279 Ca -0.51 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 3i7b h GLU 279 Cb 1.33 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.88 3i7b h GLU 279 CO 0.53 0.42 0.38 1.03 -1.18 0.00 0.00 179.01 180.19 3i7b h SER 280 N 0.12 0.87 -0.32 1.04 0.87 -1.99 0.09 113.55 114.23 3i7b h SER 280 Ca 0.02 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3i7b h SER 280 Cb 0.59 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3i7b h SER 280 CO 0.04 0.71 0.17 0.00 -0.53 0.00 0.00 176.83 177.23 3i7b h ALA 281 N 1.19 0.41 -0.69 6.23 0.00 -1.89 -2.50 119.26 122.01 3i7b h ALA 281 Ca 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i7b h ALA 281 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3i7b h ALA 281 CO -0.04 -0.06 0.33 0.87 0.00 0.00 0.00 179.25 180.35 3i7b h LYS 282 N 0.39 0.97 -0.77 0.00 1.57 -1.27 -2.03 116.57 115.42 3i7b h LYS 282 Ca 0.11 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3i7b h LYS 282 Cb 0.07 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3i7b h LYS 282 CO -0.02 0.74 0.46 0.22 -0.57 0.00 0.00 179.45 180.29 3i7b h ASP 283 N 0.97 0.93 -0.49 0.86 3.58 -0.78 -1.02 116.42 120.46 3i7b h ASP 283 Ca 0.24 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 3i7b h ASP 283 Cb 0.09 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 3i7b h ASP 283 CO -0.03 0.72 0.01 0.25 -2.88 0.00 0.00 179.24 177.32 3i7b h LEU 284 N 1.06 0.83 -0.81 2.28 5.85 -1.03 -2.33 115.31 121.16 3i7b h LEU 284 Ca 0.28 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3i7b h LEU 284 Cb -0.03 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3i7b h LEU 284 CO -0.05 0.93 0.53 0.40 -0.34 0.00 0.00 178.44 179.91 3i7b h ILE 285 N 0.71 1.19 -0.86 4.05 2.04 -1.11 -0.89 117.51 122.64 3i7b h ILE 285 Ca 0.14 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3i7b h ILE 285 Cb 0.49 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3i7b h ILE 285 CO 0.02 0.20 0.51 0.03 0.00 0.00 0.00 178.15 178.91 3i7b h ARG 286 N 1.08 1.18 -0.20 2.37 3.08 -0.98 0.10 114.38 121.01 3i7b h ARG 286 Ca 0.30 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 3i7b h ARG 286 Cb -0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 3i7b h ARG 286 CO -0.07 0.84 -0.44 0.87 -1.07 0.00 0.00 179.97 180.10 3i7b h LYS 287 N 1.19 0.49 0.00 0.04 1.57 -0.99 -2.48 116.57 116.40 3i7b h LYS 287 Ca 0.31 -0.26 -0.20 0.00 -1.87 0.00 0.00 60.65 58.63 3i7b h LYS 287 Cb -0.03 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3i7b h LYS 287 CO -0.06 0.84 -0.95 0.52 -0.57 0.00 0.00 179.45 179.23 3i7b h MET 288 N 0.40 0.01 -0.82 3.15 2.86 -0.83 -2.62 114.93 117.08 3i7b h MET 288 Ca 0.03 -0.01 -0.34 0.00 -2.06 0.00 0.00 59.70 57.32 3i7b h MET 288 Cb 0.93 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.39 3i7b h MET 288 CO 0.08 0.95 0.41 1.28 1.06 0.00 0.00 176.91 180.69 3i7b n LEU 289 N -3.41 6.25 -4.74 1.22 4.77 0.32 -3.77 117.00 117.63 3i7b n LEU 289 Ca -0.00 -3.41 -0.41 0.00 -0.03 0.00 0.00 56.01 52.15 3i7b n LEU 289 Cb 0.90 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3i7b n LEU 289 CO 0.46 0.93 1.00 -0.89 -1.33 0.00 0.00 177.39 177.56 3i7b s THR 290 N -3.13 3.16 -0.01 -5.08 2.01 -0.94 -4.97 115.64 106.68 3i7b s THR 290 Ca 0.55 0.95 -0.23 0.00 0.31 0.00 0.00 61.69 63.28 3i7b s THR 290 Cb 0.45 -3.61 -0.14 0.00 0.01 0.00 0.00 72.50 69.22 3i7b s THR 290 CO 0.12 0.14 1.01 0.22 -0.69 0.00 0.00 174.62 175.42 3i7b h TYR 291 N 5.35 -0.53 -2.86 4.92 3.20 -1.92 -3.42 116.97 121.69 3i7b h TYR 291 Ca -0.45 -0.01 -0.56 0.00 3.14 0.00 0.00 58.73 60.85 3i7b h TYR 291 Cb 1.21 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.63 3i7b h TYR 291 CO 0.62 -0.22 0.92 0.08 -1.64 0.00 0.00 178.16 177.92 3i7b s VAL 292 N -4.20 4.09 0.42 1.81 1.01 -1.26 -4.89 120.40 117.39 3i7b s VAL 292 Ca -0.13 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.28 3i7b s VAL 292 Cb 0.01 -3.86 0.27 0.00 0.00 0.00 0.00 36.38 32.80 3i7b s VAL 292 CO 0.43 -0.10 2.07 -0.65 0.00 0.00 0.00 175.10 176.85 3i7b h PRO 293 N 8.39 0.47 0.00 2.72 0.11 -1.95 -1.04 132.00 140.69 3i7b h PRO 293 Ca -0.31 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 3i7b h PRO 293 Cb 1.13 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3i7b h PRO 293 CO 0.95 0.31 -0.18 0.66 -0.21 0.00 0.00 178.00 179.54 3i7b h SER 294 N 0.49 0.00 0.64 -2.05 4.64 -1.95 -1.99 113.55 113.32 3i7b h SER 294 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3i7b h SER 294 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3i7b h SER 294 CO -0.03 0.18 -0.64 0.23 -0.87 0.00 0.00 176.83 175.69 3i7b n MET 295 N -3.75 0.17 -2.57 4.77 2.81 -0.44 -4.92 117.12 113.19 3i7b n MET 295 Ca -0.02 0.03 -0.38 0.00 -1.81 0.00 0.00 57.70 55.53 3i7b n MET 295 Cb 0.29 -1.59 -0.05 0.00 -0.71 0.00 0.00 33.22 31.16 3i7b n MET 295 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3i7b s ARG 296 N -3.10 4.41 0.47 0.03 3.52 -0.75 -4.97 118.95 118.57 3i7b s ARG 296 Ca 0.08 1.57 -0.24 0.00 -0.13 0.00 0.00 55.73 57.01 3i7b s ARG 296 Cb 0.15 -2.82 -0.07 0.00 -1.56 0.00 0.00 34.95 30.65 3i7b s ARG 296 CO 0.73 0.07 1.29 -1.50 -0.81 0.00 0.00 175.30 175.08 3i7b s ILE 297 N -1.47 2.53 0.65 4.11 2.07 -0.99 -5.01 121.20 123.09 3i7b s ILE 297 Ca 0.52 0.42 -0.11 0.00 -1.41 0.00 0.00 60.65 60.07 3i7b s ILE 297 Cb -0.25 -3.23 -0.02 0.00 0.13 0.00 0.00 42.46 39.09 3i7b s ILE 297 CO 0.31 0.02 1.04 -0.94 -1.91 0.00 0.00 174.94 173.47 3i7b s SER 298 N -0.97 5.92 0.27 4.50 1.04 -1.26 -4.89 113.70 118.31 3i7b s SER 298 Ca 0.64 1.47 -0.05 0.00 0.48 0.00 0.00 55.95 58.50 3i7b s SER 298 Cb -0.37 -2.46 0.33 0.00 0.10 0.00 0.00 66.02 63.62 3i7b s SER 298 CO 0.45 -1.08 1.94 0.00 0.98 0.00 0.00 173.24 175.53 3i7b h ALA 299 N -0.46 1.33 -0.13 5.32 0.00 -1.95 -0.08 119.26 123.29 3i7b h ALA 299 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i7b h ALA 299 Cb 1.20 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3i7b h ALA 299 CO 0.60 0.62 0.08 -0.09 0.00 0.00 0.00 179.25 180.46 3i7b h ARG 300 N 1.28 0.15 0.00 0.00 9.65 -1.92 -2.12 114.38 121.42 3i7b h ARG 300 Ca 0.35 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 59.11 3i7b h ARG 300 Cb -0.13 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 3i7b h ARG 300 CO -0.08 0.10 -0.56 -0.44 2.80 0.00 0.00 179.97 181.79 3i7b h ASP 301 N 0.16 0.00 -0.48 -3.80 3.32 -1.89 -2.80 116.42 110.92 3i7b h ASP 301 Ca 0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3i7b h ASP 301 Cb -0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3i7b h ASP 301 CO -0.02 0.56 0.20 0.00 -1.72 0.00 0.00 179.24 178.26 3i7b h ALA 302 N 1.44 1.37 -0.01 3.45 0.00 -0.73 -2.08 119.26 122.69 3i7b h ALA 302 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3i7b h ALA 302 Cb 1.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i7b h ALA 302 CO 0.07 0.48 -0.13 -0.07 0.00 0.00 0.00 179.25 179.59 3i7b h LEU 303 N 0.76 0.02 -0.18 0.00 3.38 -1.12 -2.40 115.31 115.77 3i7b h LEU 303 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3i7b h LEU 303 Cb 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3i7b h LEU 303 CO -0.02 0.16 -0.14 0.47 0.09 0.00 0.00 178.44 179.00 3i7b n ASP 304 N -4.37 0.42 -4.77 -0.43 8.00 -0.81 -4.50 116.55 110.08 3i7b n ASP 304 Ca -0.02 -0.40 -0.40 0.00 0.71 0.00 0.00 54.79 54.68 3i7b n ASP 304 Cb 0.21 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 3i7b n ASP 304 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i7b s HIS 305 N -2.60 2.47 0.31 1.24 2.46 -0.91 -4.76 115.29 113.49 3i7b s HIS 305 Ca 0.25 1.22 0.07 0.00 0.47 0.00 0.00 55.06 57.07 3i7b s HIS 305 Cb 0.20 -3.98 0.80 0.00 -0.13 0.00 0.00 32.58 29.47 3i7b s HIS 305 CO 0.51 -3.03 1.74 1.49 -2.47 0.00 0.00 174.74 172.98 3i7b h GLU 306 N 2.52 0.60 -0.10 2.88 4.81 -1.92 -0.88 114.58 122.50 3i7b h GLU 306 Ca -0.51 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3i7b h GLU 306 Cb 1.26 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 3i7b h GLU 306 CO 0.62 0.40 0.05 2.35 -0.73 0.00 0.00 179.01 181.70 3i7b h TRP 307 N 0.62 0.13 -0.06 0.92 7.01 -1.90 0.24 115.95 122.91 3i7b h TRP 307 Ca 0.60 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.60 3i7b h TRP 307 Cb 1.07 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 28.09 3i7b h TRP 307 CO -0.03 0.15 0.03 0.82 -2.79 0.00 0.00 178.44 176.62 3i7b h ILE 308 N 0.07 1.10 -0.74 2.65 1.08 -1.62 0.01 117.51 120.06 3i7b h ILE 308 Ca 0.03 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3i7b h ILE 308 Cb 0.06 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 3i7b h ILE 308 CO -0.01 0.08 0.49 1.56 -0.69 0.00 0.00 178.15 179.59 3i7b h GLN 309 N -0.02 0.97 -0.01 2.37 1.08 -1.09 -2.15 115.11 116.26 3i7b h GLN 309 Ca 0.02 -0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 56.99 3i7b h GLN 309 Cb 0.11 -0.22 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3i7b h GLN 309 CO -0.00 0.64 -0.66 1.15 -0.95 0.00 0.00 178.83 179.01 3i7b h THR 310 N 1.00 1.40 -0.01 -0.54 2.02 -0.42 -3.36 112.91 113.01 3i7b h THR 310 Ca 0.27 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.36 3i7b h THR 310 Cb -0.11 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3i7b h THR 310 CO -0.06 0.61 -0.32 -1.22 0.37 0.00 0.00 175.52 174.90 3i7b n TYR 311 N -4.17 0.00 -0.06 3.16 4.01 -0.02 -3.80 117.16 116.29 3i7b n TYR 311 Ca -0.10 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.72 3i7b n TYR 311 Cb 0.70 -0.12 0.20 0.00 -0.31 0.00 0.00 39.34 39.81 3i7b n TYR 311 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3i7b n THR 312 N -0.66 0.78 -1.66 -0.72 -2.24 -0.81 -4.57 114.28 104.39 3i7b n THR 312 Ca 0.11 -0.89 -0.45 0.00 -2.27 0.00 0.00 64.05 60.55 3i7b n THR 312 Cb 0.36 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 3i7b n THR 312 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i7b n LYS 313 N 1.05 1.94 -0.32 -0.78 5.02 -1.25 -4.88 118.16 118.95 3i7b n LYS 313 Ca 0.16 0.69 0.01 0.00 -2.02 0.00 0.00 58.31 57.15 3i7b n LYS 313 Cb 0.50 -2.32 0.15 0.00 -0.02 0.00 0.00 35.03 33.35 3i7b n LYS 313 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3i7b h GLU 314 N 3.92 0.96 -5.51 1.97 5.08 -1.95 -3.37 114.58 115.67 3i7b h GLU 314 Ca -0.45 -0.06 -0.63 0.00 -1.00 0.00 0.00 59.36 57.23 3i7b h GLU 314 Cb 1.28 -0.22 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 3i7b h GLU 314 CO 0.74 0.63 0.16 -0.65 -1.00 0.00 0.00 179.01 178.89 3i7b s GLN 315 N -6.06 3.75 -0.32 2.33 -1.52 -1.26 -5.02 119.66 111.56 3i7b s GLN 315 Ca -0.13 0.15 -0.29 0.00 -1.95 0.00 0.00 55.36 53.14 3i7b s GLN 315 Cb 0.19 -3.78 -0.00 0.00 -0.22 0.00 0.00 33.01 29.19 3i7b s GLN 315 CO 0.79 -0.69 1.41 0.42 -0.25 0.00 0.00 175.29 176.98 3i7b s ILE 316 N 2.70 3.96 -0.41 1.08 1.01 -1.26 -4.85 121.20 123.42 3i7b s ILE 316 Ca 0.25 1.05 0.04 0.00 0.00 0.00 0.00 60.65 61.99 3i7b s ILE 316 Cb -0.15 -4.07 0.10 0.00 0.01 0.00 0.00 42.46 38.35 3i7b s ILE 316 CO 0.14 -0.53 0.97 -1.54 0.00 0.00 0.00 174.94 173.98 3i7b n SER 317 N 8.26 2.08 -4.72 3.58 3.41 -1.26 -5.04 113.62 119.95 3i7b n SER 317 Ca 0.16 -1.77 -0.25 0.00 -0.26 0.00 0.00 58.87 56.76 3i7b n SER 317 Cb 0.47 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 3i7b n SER 317 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i7b s VAL 318 N -0.82 2.41 0.30 -3.33 1.01 -1.26 -5.11 120.40 113.60 3i7b s VAL 318 Ca 0.08 -1.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.02 3i7b s VAL 318 Cb 0.04 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 3i7b s VAL 318 CO 0.06 -0.05 1.35 -1.81 0.00 0.00 0.00 175.10 174.65 3i7b s ASP 319 N -3.86 6.73 -0.47 3.32 1.01 -1.26 -4.99 116.67 117.15 3i7b s ASP 319 Ca 0.39 2.68 0.09 0.00 0.71 0.00 0.00 52.55 56.42 3i7b s ASP 319 Cb 0.03 -2.64 0.34 0.00 1.01 0.00 0.00 42.92 41.65 3i7b s ASP 319 CO 0.22 -0.59 0.81 1.33 0.21 0.00 0.00 175.17 177.14 3i7b n VAL 320 N 1.30 1.25 -2.21 -1.27 0.24 -1.26 -4.90 118.33 111.47 3i7b n VAL 320 Ca 0.02 -5.00 -0.39 0.00 -2.04 0.00 0.00 64.34 56.94 3i7b n VAL 320 Cb 0.41 -0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 31.87 3i7b n VAL 320 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i7b s PRO 321 N -2.79 4.08 0.10 7.34 0.04 -1.26 -4.90 135.00 137.62 3i7b s PRO 321 Ca 0.43 1.97 -0.31 0.00 0.04 0.00 0.00 61.00 63.13 3i7b s PRO 321 Cb 0.30 -2.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 3i7b s PRO 321 CO -0.10 -0.33 1.40 0.45 0.04 0.00 0.00 177.00 178.46 3i7b s SER 322 N -0.94 6.81 -1.42 6.66 0.15 -1.26 -4.52 113.70 119.19 3i7b s SER 322 Ca 0.56 2.32 -0.14 0.00 0.70 0.00 0.00 55.95 59.39 3i7b s SER 322 Cb -0.34 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.45 3i7b s SER 322 CO 0.43 -0.67 2.11 0.18 1.20 0.00 0.00 173.24 176.49 3i7b n LEU 323 N 4.13 6.54 -0.16 3.45 4.77 0.24 -4.76 117.00 131.21 3i7b n LEU 323 Ca 0.12 -4.16 -0.11 0.00 -0.03 0.00 0.00 56.01 51.83 3i7b n LEU 323 Cb 0.42 -1.66 -0.00 0.00 -2.33 0.00 0.00 43.42 39.85 3i7b n LEU 323 CO 0.59 0.99 0.74 0.44 -1.33 0.00 0.00 177.39 178.81 3i7b h ASP 324 N 6.23 0.90 -0.70 -1.43 3.32 -1.91 -2.01 116.42 120.82 3i7b h ASP 324 Ca 0.53 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3i7b h ASP 324 Cb 0.68 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3i7b h ASP 324 CO 1.79 1.04 0.21 -1.13 -1.72 0.00 0.00 179.24 179.44 3i7b h ASN 325 N 0.74 1.03 -0.43 6.45 -0.73 -1.96 -2.25 115.58 118.44 3i7b h ASN 325 Ca 0.12 -0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.07 3i7b h ASN 325 Cb 0.64 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 3i7b h ASN 325 CO 0.04 0.97 0.18 0.00 -0.37 0.00 0.00 177.43 178.24 3i7b h ALA 326 N 1.17 1.40 -0.21 1.57 0.00 -1.65 -0.41 119.26 121.14 3i7b h ALA 326 Ca 0.23 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3i7b h ALA 326 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i7b h ALA 326 CO -0.01 0.45 -0.02 0.82 0.00 0.00 0.00 179.25 180.49 3i7b h ILE 327 N 0.69 1.27 -0.46 0.00 2.04 -1.02 0.14 117.51 120.16 3i7b h ILE 327 Ca 0.16 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3i7b h ILE 327 Cb 0.17 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3i7b h ILE 327 CO -0.01 0.29 0.24 -0.07 0.00 0.00 0.00 178.15 178.59 3i7b h LEU 328 N 0.13 0.35 -0.48 1.44 3.38 -1.16 -1.04 115.31 117.93 3i7b h LEU 328 Ca 0.06 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3i7b h LEU 328 Cb 0.44 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i7b h LEU 328 CO 0.01 0.25 0.08 0.78 0.09 0.00 0.00 178.44 179.65 3i7b h ASN 329 N 0.47 0.76 0.14 -0.43 2.35 -0.98 -2.14 115.58 115.76 3i7b h ASN 329 Ca 0.20 -0.26 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 3i7b h ASN 329 Cb 0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3i7b h ASN 329 CO -0.13 0.82 -0.39 -0.29 -1.65 0.00 0.00 177.43 175.80 3i7b h ILE 330 N 0.66 1.30 -0.34 2.81 2.10 -0.49 0.16 117.51 123.71 3i7b h ILE 330 Ca 0.15 -1.49 -0.00 0.00 1.08 0.00 0.00 64.86 64.59 3i7b h ILE 330 Cb 0.39 1.61 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 3i7b h ILE 330 CO 0.01 0.45 0.20 0.03 -1.08 0.00 0.00 178.15 177.76 3i7b h ARG 331 N 0.28 0.47 -0.84 2.19 3.08 -1.11 0.64 114.38 119.09 3i7b h ARG 331 Ca 0.03 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3i7b h ARG 331 Cb 0.81 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 3i7b h ARG 331 CO 0.06 0.37 0.40 0.37 -1.07 0.00 0.00 179.97 180.10 3i7b h GLN 332 N 0.44 1.21 0.36 0.04 4.15 -0.88 0.13 115.11 120.56 3i7b h GLN 332 Ca 0.12 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3i7b h GLN 332 Cb 0.03 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.51 3i7b h GLN 332 CO -0.02 0.93 -0.17 0.35 -1.93 0.00 0.00 178.83 177.99 3i7b h PHE 333 N 1.20 -0.45 -0.42 3.99 3.57 -0.49 -1.30 116.94 123.04 3i7b h PHE 333 Ca 0.29 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.79 3i7b h PHE 333 Cb 0.13 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3i7b h PHE 333 CO 0.02 -0.13 0.25 0.37 -2.23 0.00 0.00 178.31 176.59 3i7b h GLN 334 N -0.79 0.49 -0.31 1.11 5.75 -0.84 -0.93 115.11 119.60 3i7b h GLN 334 Ca -0.05 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.49 3i7b h GLN 334 Cb 0.52 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.89 3i7b h GLN 334 CO 0.08 0.33 -0.14 0.78 -2.65 0.00 0.00 178.83 177.23 3i7b h GLY 335 N 0.51 0.13 0.97 2.39 0.00 -0.75 0.50 103.07 106.82 3i7b h GLY 335 Ca 0.16 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 3i7b h GLY 335 CO -0.07 -0.16 0.23 -0.84 0.00 0.00 0.00 176.54 175.70 3i7b h THR 336 N -0.08 1.16 -0.64 4.70 2.02 -0.85 -1.18 112.91 118.04 3i7b h THR 336 Ca 0.16 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3i7b h THR 336 Cb 0.32 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3i7b h THR 336 CO -0.37 0.17 0.32 1.56 0.37 0.00 0.00 175.52 177.57 3i7b h GLN 337 N 0.55 0.91 -0.08 6.66 1.08 -0.78 -1.78 115.11 121.68 3i7b h GLN 337 Ca 0.15 -0.13 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 3i7b h GLN 337 Cb 0.07 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3i7b h GLN 337 CO -0.02 0.72 -0.70 0.87 -0.95 0.00 0.00 178.83 178.74 3i7b h LYS 338 N 0.87 0.36 -0.35 1.46 1.79 -0.78 -2.16 116.57 117.77 3i7b h LYS 338 Ca 0.22 -0.29 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 3i7b h LYS 338 Cb 0.10 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3i7b h LYS 338 CO -0.03 0.92 -0.24 1.25 -1.08 0.00 0.00 179.45 180.27 3i7b h LEU 339 N 0.25 0.81 -0.55 2.94 5.85 -1.10 -0.14 115.31 123.37 3i7b h LEU 339 Ca -0.02 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3i7b h LEU 339 Cb 1.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3i7b h LEU 339 CO 0.12 1.07 0.35 0.00 -0.34 0.00 0.00 178.44 179.65 3i7b h ALA 340 N 0.76 0.70 -0.48 1.25 0.00 -1.31 -0.02 119.26 120.16 3i7b h ALA 340 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i7b h ALA 340 Cb 0.80 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3i7b h ALA 340 CO 0.07 0.16 0.24 0.37 0.00 0.00 0.00 179.25 180.08 3i7b h GLN 341 N 0.75 0.69 -0.84 0.00 4.15 -1.32 -2.57 115.11 115.96 3i7b h GLN 341 Ca 0.20 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3i7b h GLN 341 Cb -0.06 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.46 3i7b h GLN 341 CO -0.04 0.58 0.42 0.00 -1.93 0.00 0.00 178.83 177.85 3i7b h ALA 342 N 1.08 1.08 -0.08 3.38 0.00 -0.68 -1.69 119.26 122.35 3i7b h ALA 342 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i7b h ALA 342 Cb 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i7b h ALA 342 CO -0.02 0.63 0.04 0.00 0.00 0.00 0.00 179.25 179.90 3i7b h ALA 343 N 1.22 0.10 -0.72 0.00 0.00 -0.85 0.12 119.26 119.13 3i7b h ALA 343 Ca 0.29 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3i7b h ALA 343 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i7b h ALA 343 CO -0.04 -0.35 0.25 -0.07 0.00 0.00 0.00 179.25 179.04 3i7b h LEU 344 N 0.02 1.03 -0.91 0.00 3.38 -1.36 -1.05 115.31 116.43 3i7b h LEU 344 Ca 0.03 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3i7b h LEU 344 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3i7b h LEU 344 CO -0.00 0.95 -0.16 -0.07 0.09 0.00 0.00 178.44 179.24 3i7b h LEU 345 N 1.05 0.62 -0.33 1.67 3.38 -1.16 -0.05 115.31 120.50 3i7b h LEU 345 Ca 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i7b h LEU 345 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3i7b h LEU 345 CO -0.01 0.80 0.14 0.22 0.09 0.00 0.00 178.44 179.67 3i7b h TYR 346 N 0.57 0.49 -0.51 1.13 3.20 -0.45 -0.47 116.97 120.93 3i7b h TYR 346 Ca 0.09 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3i7b h TYR 346 Cb 0.60 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3i7b h TYR 346 CO 0.02 0.46 0.13 0.52 -1.64 0.00 0.00 178.16 177.66 3i7b h MET 347 N 0.38 0.82 -0.27 1.82 2.86 -0.97 -1.70 114.93 117.86 3i7b h MET 347 Ca 0.11 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3i7b h MET 347 Cb 0.17 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3i7b h MET 347 CO -0.01 0.77 0.09 0.78 1.06 0.00 0.00 176.91 179.61 3i7b h GLY 348 N 0.71 0.34 1.66 8.32 0.00 -0.94 -2.47 103.07 110.69 3i7b h GLY 348 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3i7b h GLY 348 CO -0.00 0.03 -0.08 1.76 0.00 0.00 0.00 176.54 178.25 3i7b h SER 349 N 0.21 0.39 -0.18 0.19 0.02 -0.94 -1.42 113.55 111.82 3i7b h SER 349 Ca 0.12 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3i7b h SER 349 Cb 0.09 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3i7b h SER 349 CO -0.12 0.52 0.03 0.50 -1.14 0.00 0.00 176.83 176.62 3i7b h LYS 350 N 0.39 0.29 -0.48 3.45 1.63 -1.12 -1.00 116.57 119.73 3i7b h LYS 350 Ca 0.08 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3i7b h LYS 350 Cb 0.39 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 3i7b h LYS 350 CO 0.02 0.45 0.28 -0.07 -3.45 0.00 0.00 179.45 176.69 3i7b h LEU 351 N 0.09 0.46 -1.10 5.20 3.38 -1.23 -1.69 115.31 120.41 3i7b h LEU 351 Ca 0.05 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3i7b h LEU 351 Cb 0.30 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3i7b h LEU 351 CO 0.00 0.32 0.61 0.74 0.09 0.00 0.00 178.44 180.21 3i7b h THR 352 N 0.57 1.18 -0.21 0.22 2.02 -1.16 -2.38 112.91 113.15 3i7b h THR 352 Ca 0.19 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 3i7b h THR 352 Cb 0.02 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 3i7b h THR 352 CO -0.09 0.22 -0.38 0.28 0.37 0.00 0.00 175.52 175.92 3i7b h SER 353 N 1.19 0.48 -0.34 4.18 0.02 -0.74 -1.09 113.55 117.25 3i7b h SER 353 Ca 0.36 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3i7b h SER 353 Cb -0.03 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3i7b h SER 353 CO -0.10 0.82 0.22 1.56 -1.14 0.00 0.00 176.83 178.18 3i7b h GLN 354 N 0.39 0.46 -0.16 3.45 4.20 -0.89 0.06 115.11 122.60 3i7b h GLN 354 Ca 0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3i7b h GLN 354 Cb 0.84 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3i7b h GLN 354 CO 0.07 0.32 0.03 -0.44 -0.67 0.00 0.00 178.83 178.14 3i7b h ASP 355 N 0.45 0.26 -0.13 1.46 3.32 -1.26 -2.69 116.42 117.84 3i7b h ASP 355 Ca 0.12 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 3i7b h ASP 355 Cb -0.03 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3i7b h ASP 355 CO -0.03 0.45 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.45 3i7b h GLU 356 N 0.06 0.53 -0.62 3.56 5.08 -1.17 -1.29 114.58 120.73 3i7b h GLU 356 Ca 0.05 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3i7b h GLU 356 Cb 0.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3i7b h GLU 356 CO 0.00 0.68 0.37 1.15 -1.00 0.00 0.00 179.01 180.21 3i7b h THR 357 N 0.48 1.18 -0.12 1.13 2.02 -0.92 0.47 112.91 117.14 3i7b h THR 357 Ca 0.08 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 3i7b h THR 357 Cb 0.57 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3i7b h THR 357 CO 0.04 0.19 -0.01 0.11 0.37 0.00 0.00 175.52 176.22 3i7b h LYS 358 N 0.84 0.22 -0.57 6.66 1.57 -1.20 -2.62 116.57 121.48 3i7b h LYS 358 Ca 0.22 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 3i7b h LYS 358 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3i7b h LYS 358 CO -0.04 0.49 -0.01 0.93 -0.57 0.00 0.00 179.45 180.25 3i7b h GLU 359 N -0.06 1.00 -0.32 3.15 4.39 -1.18 -2.61 114.58 118.96 3i7b h GLU 359 Ca 0.03 -0.31 -0.13 0.00 0.34 0.00 0.00 59.36 59.29 3i7b h GLU 359 Cb 0.39 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3i7b h GLU 359 CO 0.01 0.98 -0.35 1.25 -1.16 0.00 0.00 179.01 179.75 3i7b h LEU 360 N 0.91 0.74 -0.74 1.33 5.85 -0.94 -2.15 115.31 120.31 3i7b h LEU 360 Ca 0.16 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 3i7b h LEU 360 Cb 0.54 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3i7b h LEU 360 CO 0.03 1.02 -0.15 0.74 -0.34 0.00 0.00 178.44 179.74 3i7b h THR 361 N 0.59 1.26 -0.49 1.05 2.02 -1.42 -2.28 112.91 113.64 3i7b h THR 361 Ca 0.06 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 3i7b h THR 361 Cb 0.87 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3i7b h THR 361 CO 0.08 0.42 0.13 0.00 0.37 0.00 0.00 175.52 176.51 3i7b h ALA 362 N 1.11 0.64 -0.03 6.16 0.00 -1.35 -0.43 119.26 125.36 3i7b h ALA 362 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i7b h ALA 362 Cb 0.65 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i7b h ALA 362 CO 0.05 0.32 -0.01 0.82 0.00 0.00 0.00 179.25 180.42 3i7b h ILE 363 N 0.66 0.95 -0.68 0.00 2.04 -1.26 -1.00 117.51 118.22 3i7b h ILE 363 Ca 0.15 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.94 3i7b h ILE 363 Cb 0.32 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3i7b h ILE 363 CO 0.00 0.00 0.13 -0.26 0.00 0.00 0.00 178.15 178.02 3i7b h PHE 364 N -0.01 1.18 -0.83 1.37 0.05 -1.36 -1.64 116.94 115.69 3i7b h PHE 364 Ca 0.02 -0.16 0.08 0.00 3.82 0.00 0.00 57.97 61.73 3i7b h PHE 364 Cb 0.04 -0.33 -0.07 0.00 2.00 0.00 0.00 35.95 37.59 3i7b h PHE 364 CO -0.11 0.98 0.49 1.25 -0.18 0.00 0.00 178.31 180.74 3i7b h HIS 365 N 1.04 0.89 -0.62 -0.55 2.76 -0.89 0.25 115.15 118.04 3i7b h HIS 365 Ca 0.21 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.31 3i7b h HIS 365 Cb 0.42 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 3i7b h HIS 365 CO 0.03 0.39 0.00 -0.22 -1.30 0.00 0.00 177.93 176.84 3i7b h LYS 366 N 0.84 1.09 0.00 5.26 3.64 -0.80 -2.71 116.57 123.89 3i7b h LYS 366 Ca 0.39 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3i7b h LYS 366 Cb 0.30 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3i7b h LYS 366 CO -0.22 1.06 -0.35 0.52 -2.27 0.00 0.00 179.45 178.18 3i7b h MET 367 N 0.99 0.00 -5.81 1.90 2.86 -0.63 -3.39 114.93 110.86 3i7b h MET 367 Ca 0.18 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.19 3i7b h MET 367 Cb 0.56 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 3i7b h MET 367 CO 0.03 0.35 2.02 0.34 1.06 0.00 0.00 176.91 180.71 3i7b s ASP 368 N -6.58 6.55 0.25 1.22 2.15 0.83 -4.75 116.67 116.35 3i7b s ASP 368 Ca -0.01 -2.31 0.13 0.00 0.43 0.00 0.00 52.55 50.79 3i7b s ASP 368 Cb 0.13 -2.58 0.15 0.00 -0.30 0.00 0.00 42.92 40.31 3i7b s ASP 368 CO 0.69 -1.47 1.47 0.11 -0.17 0.00 0.00 175.17 175.80 3i7b h LYS 369 N 7.95 0.00 -0.21 4.34 1.57 -1.81 -3.08 116.57 125.33 3i7b h LYS 369 Ca 0.41 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.05 3i7b h LYS 369 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3i7b h LYS 369 CO 1.42 0.63 -0.46 -0.91 -0.57 0.00 0.00 179.45 179.56 3i7b h ASN 370 N 0.00 0.56 0.00 0.86 2.35 -1.97 -3.48 115.58 113.91 3i7b h ASN 370 Ca -0.01 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3i7b h ASN 370 Cb 1.36 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3i7b h ASN 370 CO 0.08 0.94 0.00 0.61 -1.65 0.00 0.00 177.43 177.41 3i7b n GLY 371 N 0.07 0.41 0.23 2.83 0.00 -1.17 -4.94 105.19 102.61 3i7b n GLY 371 Ca -0.02 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.10 3i7b n GLY 371 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7b n ASP 372 N 1.85 1.15 0.00 1.61 5.68 -1.26 -4.96 116.55 120.61 3i7b n ASP 372 Ca 0.00 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 3i7b n ASP 372 Cb 0.00 0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3i7b n ASP 372 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i7b n GLY 373 N 1.41 0.38 3.10 6.12 0.00 -1.26 -5.00 105.19 109.93 3i7b n GLY 373 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3i7b n GLY 373 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7b s GLN 374 N -0.52 2.83 0.30 1.61 -0.21 -1.26 -1.65 119.66 120.76 3i7b s GLN 374 Ca 0.00 -0.80 0.10 0.00 0.02 0.00 0.00 55.36 54.68 3i7b s GLN 374 Cb 0.00 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 3i7b s GLN 374 CO 0.00 -0.23 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.34 3i7b s LEU 375 N 1.32 2.83 0.55 2.90 1.43 -0.27 -4.76 118.68 122.69 3i7b s LEU 375 Ca 0.04 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.23 3i7b s LEU 375 Cb -0.13 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 44.88 3i7b s LEU 375 CO -0.12 -0.08 0.76 1.51 0.23 0.00 0.00 176.35 178.64 3i7b s ASP 376 N -3.61 5.17 0.21 2.29 1.47 -1.26 -0.37 116.67 120.57 3i7b s ASP 376 Ca 0.32 -0.50 -0.11 0.00 1.18 0.00 0.00 52.55 53.43 3i7b s ASP 376 Cb -0.03 -0.23 0.28 0.00 -0.34 0.00 0.00 42.92 42.60 3i7b s ASP 376 CO 0.17 -1.22 1.66 -0.09 0.68 0.00 0.00 175.17 176.38 3i7b h ARG 377 N 0.18 0.11 -0.33 2.11 2.43 -2.00 -1.47 114.38 115.41 3i7b h ARG 377 Ca -0.36 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.82 3i7b h ARG 377 Cb 1.28 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3i7b h ARG 377 CO 0.44 0.07 0.17 0.00 -1.51 0.00 0.00 179.97 179.14 3i7b h ALA 378 N 1.55 0.40 -0.58 2.80 0.00 -2.00 -1.80 119.26 119.64 3i7b h ALA 378 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3i7b h ALA 378 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3i7b h ALA 378 CO -0.52 -0.19 0.18 0.93 0.00 0.00 0.00 179.25 179.65 3i7b h GLU 379 N 0.36 0.89 -0.78 0.00 5.08 -1.81 -2.46 114.58 115.86 3i7b h GLU 379 Ca 0.13 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3i7b h GLU 379 Cb 0.03 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3i7b h GLU 379 CO -0.08 0.80 0.41 -0.07 -1.00 0.00 0.00 179.01 179.07 3i7b h LEU 380 N 0.81 0.99 -0.46 1.33 3.38 -1.01 -1.55 115.31 118.79 3i7b h LEU 380 Ca 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3i7b h LEU 380 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3i7b h LEU 380 CO -0.01 0.82 0.16 0.40 0.09 0.00 0.00 178.44 179.90 3i7b h ILE 381 N 1.08 1.22 -0.54 1.22 2.04 -1.21 -1.68 117.51 119.64 3i7b h ILE 381 Ca 0.27 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 3i7b h ILE 381 Cb 0.07 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3i7b h ILE 381 CO -0.04 0.26 0.22 -0.08 0.00 0.00 0.00 178.15 178.50 3i7b h GLU 382 N 0.60 0.81 -0.51 2.37 4.22 -1.21 -1.00 114.58 119.87 3i7b h GLU 382 Ca 0.15 -0.15 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 3i7b h GLU 382 Cb 0.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3i7b h GLU 382 CO -0.01 0.71 0.21 0.78 -2.18 0.00 0.00 179.01 178.52 3i7b h GLY 383 N 0.74 0.81 0.90 1.92 0.00 -1.20 -0.11 103.07 106.13 3i7b h GLY 383 Ca 0.18 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3i7b h GLY 383 CO -0.01 0.41 0.09 -1.82 0.00 0.00 0.00 176.54 175.21 3i7b h TYR 384 N 0.68 0.47 -0.80 5.60 -0.00 -1.16 -1.40 116.97 120.37 3i7b h TYR 384 Ca 0.17 -0.05 0.03 0.00 -0.00 0.00 0.00 58.73 58.88 3i7b h TYR 384 Cb 0.19 -0.14 -0.04 0.00 -0.00 0.00 0.00 36.73 36.74 3i7b h TYR 384 CO 0.00 0.49 0.53 0.87 -0.00 0.00 0.00 178.16 180.05 3i7b h LYS 385 N 0.32 0.97 -0.50 1.82 1.57 -1.07 -1.75 116.57 117.93 3i7b h LYS 385 Ca 0.10 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3i7b h LYS 385 Cb 0.24 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3i7b h LYS 385 CO -0.00 0.64 0.09 1.49 -0.57 0.00 0.00 179.45 181.10 3i7b h GLU 386 N 1.00 0.77 -0.30 3.15 4.81 -0.59 -2.89 114.58 120.53 3i7b h GLU 386 Ca 0.31 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3i7b h GLU 386 Cb 0.00 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3i7b h GLU 386 CO -0.09 0.72 0.14 1.25 -0.73 0.00 0.00 179.01 180.31 3i7b h LEU 387 N 0.74 0.40 -1.67 1.64 5.85 -0.39 -0.61 115.31 121.26 3i7b h LEU 387 Ca 0.16 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3i7b h LEU 387 Cb 0.32 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3i7b h LEU 387 CO 0.00 0.43 -0.18 0.24 -0.34 0.00 0.00 178.44 178.59 3i7b h MET 388 N 0.35 0.00 0.16 1.25 2.86 -1.27 -1.30 114.93 116.98 3i7b h MET 388 Ca 0.10 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.44 3i7b h MET 388 Cb 0.14 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.83 3i7b h MET 388 CO -0.01 0.18 -1.29 0.00 1.06 0.00 0.00 176.91 176.85 3i7b h ARG 389 N 0.00 0.59 0.31 1.72 3.08 -1.39 -3.38 114.38 115.31 3i7b h ARG 389 Ca -0.00 -0.85 -0.00 0.00 0.07 0.00 0.00 59.98 59.19 3i7b h ARG 389 Cb 0.34 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3i7b h ARG 389 CO 0.02 1.39 -0.24 1.98 -1.07 0.00 0.00 179.97 182.05 3i7b h MET 390 N 0.21 -0.54 -6.14 0.04 4.05 -0.08 -3.19 114.93 109.29 3i7b h MET 390 Ca -0.21 0.04 -0.55 0.00 -0.28 0.00 0.00 59.70 58.70 3i7b h MET 390 Cb 1.97 0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 32.81 3i7b h MET 390 CO 0.25 -0.36 1.31 -1.59 0.23 0.00 0.00 176.91 176.74 3i7b s LYS 391 N -6.08 3.35 0.33 0.39 -2.85 -0.59 -4.87 119.74 109.42 3i7b s LYS 391 Ca -0.16 -0.74 0.07 0.00 -1.00 0.00 0.00 55.97 54.15 3i7b s LYS 391 Cb 0.06 -4.97 0.77 0.00 -2.06 0.00 0.00 37.83 31.62 3i7b s LYS 391 CO 0.64 -2.32 1.82 0.78 0.10 0.00 0.00 175.35 176.37 3i7b h GLY 392 N 13.47 1.47 -7.12 0.59 0.00 -1.77 -3.21 103.07 106.50 3i7b h GLY 392 Ca 0.04 -0.34 -0.70 0.00 0.00 0.00 0.00 47.33 46.34 3i7b h GLY 392 CO 1.36 0.04 2.44 -0.18 0.00 0.00 0.00 176.54 180.20 3i7b n GLN 393 N -4.64 3.12 -4.52 4.80 -0.06 -1.26 -4.91 117.38 109.91 3i7b n GLN 393 Ca 0.20 -3.12 -0.27 0.00 -2.00 0.00 0.00 57.00 51.82 3i7b n GLN 393 Cb 0.52 -3.35 -0.10 0.00 -4.06 0.00 0.00 30.24 23.24 3i7b n GLN 393 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3i7b s ASP 394 N 3.54 3.94 0.90 1.69 2.15 -1.21 -5.14 116.67 122.53 3i7b s ASP 394 Ca 0.50 -1.27 -0.10 0.00 0.43 0.00 0.00 52.55 52.10 3i7b s ASP 394 Cb 0.07 -0.41 0.13 0.00 -0.30 0.00 0.00 42.92 42.42 3i7b s ASP 394 CO 0.01 -0.39 1.13 0.00 -0.17 0.00 0.00 175.17 175.74 3i7b s ALA 395 N -2.66 1.53 0.54 3.66 0.00 -1.26 -4.91 121.76 118.67 3i7b s ALA 395 Ca 0.35 0.46 0.23 0.00 0.00 0.00 0.00 51.96 53.00 3i7b s ALA 395 Cb 0.07 -3.39 1.44 0.00 0.00 0.00 0.00 23.12 21.23 3i7b s ALA 395 CO 0.18 -2.60 2.10 1.03 0.00 0.00 0.00 175.76 176.47 3i7b h SER 396 N -1.75 0.00 -3.34 0.00 0.87 -1.99 -3.49 113.55 103.86 3i7b h SER 396 Ca -0.44 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.58 3i7b h SER 396 Cb 1.26 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 3i7b h SER 396 CO 0.44 0.00 -0.14 -0.04 -0.53 0.00 0.00 176.83 176.57 3i7b s MET 397 N -4.92 3.72 0.00 2.24 -1.94 -1.26 -5.03 119.30 112.11 3i7b s MET 397 Ca -0.05 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 3i7b s MET 397 Cb 0.17 -2.66 0.00 0.00 2.01 0.00 0.00 34.83 34.35 3i7b s MET 397 CO 0.65 0.28 0.00 0.43 -0.01 0.00 0.00 175.02 176.38 3i7b n SER 401 N -0.43 0.00 -0.40 3.03 7.64 -1.26 -4.96 113.62 117.25 3i7b n SER 401 Ca -0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 3i7b n SER 401 Cb 0.53 -0.19 0.39 0.00 -1.01 0.00 0.00 64.21 63.93 3i7b n SER 401 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7b n ALA 402 N 0.19 2.54 -0.03 -0.43 0.00 -1.26 -4.39 120.51 117.12 3i7b n ALA 402 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 3i7b n ALA 402 Cb 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 3i7b n ALA 402 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i7b h VAL 403 N 1.55 1.41 -0.58 0.00 -1.51 -1.97 -2.86 116.25 112.29 3i7b h VAL 403 Ca 0.00 -1.76 -0.03 0.00 -1.23 0.00 0.00 66.70 63.67 3i7b h VAL 403 Cb 0.34 2.31 -0.03 0.00 -2.13 0.00 0.00 31.29 31.78 3i7b h VAL 403 CO 0.00 0.51 0.23 -0.08 -1.23 0.00 0.00 177.57 177.00 3i7b h GLU 404 N -0.09 0.86 -0.30 5.19 4.81 -1.93 0.94 114.58 124.07 3i7b h GLU 404 Ca -0.03 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 3i7b h GLU 404 Cb 1.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3i7b h GLU 404 CO 0.08 0.75 0.00 1.25 -0.73 0.00 0.00 179.01 180.36 3i7b h HIS 405 N 0.79 0.57 -0.43 0.92 2.76 -1.86 -1.62 115.15 116.28 3i7b h HIS 405 Ca 0.19 -0.10 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 3i7b h HIS 405 Cb 0.21 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 28.95 3i7b h HIS 405 CO 0.01 0.66 -0.01 0.93 -1.30 0.00 0.00 177.93 178.22 3i7b h GLU 406 N 0.32 0.09 -0.11 5.26 4.39 -1.16 0.32 114.58 123.69 3i7b h GLU 406 Ca 0.08 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.82 3i7b h GLU 406 Cb 0.43 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3i7b h GLU 406 CO 0.02 0.06 -0.14 0.28 -1.16 0.00 0.00 179.01 178.06 3i7b h VAL 407 N 0.09 0.62 -0.64 3.13 2.07 0.11 0.16 116.25 121.80 3i7b h VAL 407 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 3i7b h VAL 407 Cb 0.31 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3i7b h VAL 407 CO -0.37 0.00 0.36 0.44 0.02 0.00 0.00 177.57 178.02 3i7b h ASP 408 N -0.18 0.77 -0.32 0.57 3.45 -0.88 0.24 116.42 120.08 3i7b h ASP 408 Ca 0.08 -0.05 -0.13 0.00 0.43 0.00 0.00 57.03 57.36 3i7b h ASP 408 Cb 0.31 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 3i7b h ASP 408 CO -0.22 0.62 -0.27 1.56 -1.57 0.00 0.00 179.24 179.36 3i7b h GLN 409 N 0.88 0.83 -0.30 3.56 1.08 -0.36 -0.79 115.11 120.01 3i7b h GLN 409 Ca 0.23 -0.37 -0.05 0.00 -1.45 0.00 0.00 58.65 57.01 3i7b h GLN 409 Cb 0.01 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3i7b h GLN 409 CO -0.04 1.00 0.01 0.28 -0.95 0.00 0.00 178.83 179.13 3i7b h VAL 410 N 0.71 1.25 -0.70 -0.54 2.07 -0.00 -3.08 116.25 115.96 3i7b h VAL 410 Ca 0.09 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3i7b h VAL 410 Cb 0.81 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3i7b h VAL 410 CO 0.07 0.30 0.37 -0.07 0.02 0.00 0.00 177.57 178.26 3i7b h LEU 411 N 0.32 0.87 -0.70 2.57 3.38 -0.42 0.29 115.31 121.62 3i7b h LEU 411 Ca 0.09 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3i7b h LEU 411 Cb 0.42 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3i7b h LEU 411 CO 0.01 0.71 0.33 -0.78 0.09 0.00 0.00 178.44 178.80 3i7b h ASP 412 N 0.98 0.40 -0.09 -0.43 1.82 -1.12 0.32 116.42 118.30 3i7b h ASP 412 Ca 0.25 0.07 -0.13 0.00 -0.39 0.00 0.00 57.03 56.83 3i7b h ASP 412 Cb 0.04 0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.06 3i7b h ASP 412 CO -0.04 0.22 -0.44 0.00 -1.61 0.00 0.00 179.24 177.37 3i7b h ALA 413 N 1.44 0.17 -0.02 -0.78 0.00 -1.28 -3.17 119.26 115.63 3i7b h ALA 413 Ca 0.35 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3i7b h ALA 413 Cb 0.40 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3i7b h ALA 413 CO -0.29 0.31 -0.60 0.28 0.00 0.00 0.00 179.25 178.96 3i7b h VAL 414 N 0.02 1.41 -1.88 0.00 2.07 -0.75 -3.42 116.25 113.70 3i7b h VAL 414 Ca -0.03 -2.03 -0.34 0.00 0.82 0.00 0.00 66.70 65.11 3i7b h VAL 414 Cb 1.09 2.51 -0.30 0.00 -1.52 0.00 0.00 31.29 33.07 3i7b h VAL 414 CO 0.09 0.60 -0.67 -0.62 0.02 0.00 0.00 177.57 176.99 3i7b s ASP 415 N -6.75 0.97 0.17 0.57 2.15 0.11 -5.04 116.67 108.85 3i7b s ASP 415 Ca -0.13 -1.50 -0.14 0.00 0.43 0.00 0.00 52.55 51.21 3i7b s ASP 415 Cb 0.04 0.67 0.12 0.00 -0.30 0.00 0.00 42.92 43.44 3i7b s ASP 415 CO 0.83 -0.26 1.78 0.15 -0.17 0.00 0.00 175.17 177.50 3i7b h PHE 416 N 7.09 0.41 0.00 -5.34 3.57 -1.61 -2.53 116.94 118.53 3i7b h PHE 416 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3i7b h PHE 416 Cb 1.07 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 3i7b h PHE 416 CO 0.31 0.19 -0.08 -0.44 -2.23 0.00 0.00 178.31 176.06 3i7b h ASP 417 N 0.44 0.00 -5.87 0.41 3.32 -1.90 -3.47 116.42 109.35 3i7b h ASP 417 Ca 0.21 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.88 3i7b h ASP 417 Cb 0.13 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.80 3i7b h ASP 417 CO -0.16 0.08 -0.79 0.29 -1.72 0.00 0.00 179.24 176.94 3i7b n LYS 418 N -3.39 -5.92 -0.37 3.56 4.76 -0.95 -4.91 118.16 110.94 3i7b n LYS 418 Ca -0.01 0.74 0.03 0.00 -2.87 0.00 0.00 58.31 56.20 3i7b n LYS 418 Cb 0.24 -5.56 0.18 0.00 -1.84 0.00 0.00 35.03 28.05 3i7b n LYS 418 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3i7b h ASN 419 N -1.94 1.01 0.00 4.39 2.35 -1.91 -3.47 115.58 116.01 3i7b h ASN 419 Ca -0.60 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 3i7b h ASN 419 Cb 1.35 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3i7b h ASN 419 CO 0.54 0.62 0.00 0.61 -1.65 0.00 0.00 177.43 177.55 3i7b n GLY 420 N -1.36 -2.06 3.90 2.83 0.00 -1.26 -5.17 105.19 102.07 3i7b n GLY 420 Ca 0.16 0.80 -0.21 0.00 0.00 0.00 0.00 46.02 46.77 3i7b n GLY 420 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i7b s TYR 421 N 0.43 3.21 -0.07 1.61 1.51 -1.26 -4.72 117.35 118.06 3i7b s TYR 421 Ca 0.00 -0.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 3i7b s TYR 421 Cb 0.00 -1.56 -0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3i7b s TYR 421 CO 0.00 0.40 -0.20 0.42 -1.11 0.00 0.00 175.55 175.06 3i7b s ILE 422 N -2.10 1.73 -0.27 2.71 -1.09 0.50 -4.90 121.20 117.77 3i7b s ILE 422 Ca 0.35 -0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 57.64 3i7b s ILE 422 Cb -0.08 -1.49 -0.05 0.00 -1.58 0.00 0.00 42.46 39.26 3i7b s ILE 422 CO 0.27 0.49 2.24 -1.61 -1.23 0.00 0.00 174.94 175.10 3i7b s GLU 423 N 0.15 2.94 0.54 2.79 0.41 -1.26 -1.11 118.70 123.16 3i7b s GLU 423 Ca -0.09 1.89 0.28 0.00 -0.41 0.00 0.00 54.97 56.64 3i7b s GLU 423 Cb -0.14 -4.41 1.52 0.00 -1.78 0.00 0.00 34.13 29.32 3i7b s GLU 423 CO 0.05 -2.32 2.10 0.10 -0.49 0.00 0.00 175.26 174.70 3i7b h TYR 424 N 15.82 0.00 -0.45 1.61 -0.00 -1.66 -1.05 116.97 131.24 3i7b h TYR 424 Ca -0.38 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.33 3i7b h TYR 424 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.95 3i7b h TYR 424 CO 0.94 0.10 0.19 0.66 -0.00 0.00 0.00 178.16 180.05 3i7b h SER 425 N 0.00 0.61 -0.64 0.10 4.64 -1.88 -0.88 113.55 115.50 3i7b h SER 425 Ca -0.00 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 3i7b h SER 425 Cb 0.30 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3i7b h SER 425 CO 0.01 0.60 0.22 -0.33 -0.87 0.00 0.00 176.83 176.47 3i7b h GLU 426 N 0.58 1.01 -0.24 4.77 5.08 -1.62 -2.91 114.58 121.25 3i7b h GLU 426 Ca 0.15 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3i7b h GLU 426 Cb 0.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3i7b h GLU 426 CO -0.01 0.85 0.09 0.35 -1.00 0.00 0.00 179.01 179.28 3i7b h PHE 427 N 0.98 0.38 -0.31 4.33 3.57 -1.08 -2.62 116.94 122.18 3i7b h PHE 427 Ca 0.22 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3i7b h PHE 427 Cb 0.25 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 3i7b h PHE 427 CO 0.02 0.41 0.02 0.28 -2.23 0.00 0.00 178.31 176.82 3i7b h VAL 428 N 0.23 0.80 0.38 1.41 2.07 -1.08 0.22 116.25 120.29 3i7b h VAL 428 Ca 0.08 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3i7b h VAL 428 Cb 0.21 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3i7b h VAL 428 CO -0.00 0.02 -0.33 0.74 0.02 0.00 0.00 177.57 178.02 3i7b h THR 429 N 0.12 0.32 -0.30 2.57 2.02 -1.48 0.21 112.91 116.37 3i7b h THR 429 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3i7b h THR 429 Cb 0.18 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3i7b h THR 429 CO -0.23 0.00 0.06 0.58 0.37 0.00 0.00 175.52 176.30 3i7b h VAL 430 N -0.72 1.15 -0.22 3.16 2.07 -1.23 0.83 116.25 121.28 3i7b h VAL 430 Ca -0.03 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3i7b h VAL 430 Cb 0.64 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3i7b h VAL 430 CO -0.03 0.19 -0.05 0.00 0.02 0.00 0.00 177.57 177.70 3i7b h ALA 431 N 1.65 0.31 0.00 1.67 0.00 -0.22 -2.96 119.26 119.71 3i7b h ALA 431 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3i7b h ALA 431 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i7b h ALA 431 CO -0.00 0.09 -0.67 0.52 0.00 0.00 0.00 179.25 179.19 3i7b h MET 432 N 0.16 0.00 0.00 0.00 2.86 -0.62 -2.80 114.93 114.54 3i7b h MET 432 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3i7b h MET 432 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3i7b h MET 432 CO 0.02 0.69 0.00 -3.47 1.06 0.00 0.00 176.91 175.21 3i7b n ASP 433 N -4.55 0.51 -0.08 1.22 2.03 0.28 -1.43 116.55 114.54 3i7b n ASP 433 Ca -0.18 0.67 -0.16 0.00 0.52 0.00 0.00 54.79 55.63 3i7b n ASP 433 Cb 0.47 -0.76 -0.14 0.00 -0.72 0.00 0.00 41.12 39.98 3i7b n ASP 433 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 3i7b n ARG 434 N -2.11 0.68 0.30 -0.67 1.85 -1.12 -4.48 116.66 111.12 3i7b n ARG 434 Ca 0.01 0.16 0.20 0.00 -1.00 0.00 0.00 57.85 57.22 3i7b n ARG 434 Cb 0.14 -1.60 1.06 0.00 -1.05 0.00 0.00 32.46 31.01 3i7b n ARG 434 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 3i7b h LYS 435 N 0.02 0.00 0.00 2.89 3.64 -0.95 0.32 116.57 122.49 3i7b h LYS 435 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3i7b h LYS 435 Cb 2.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 3i7b h LYS 435 CO -0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 3i7b n THR 436 N -2.93 0.00 -0.06 1.00 -2.24 -0.95 -4.15 114.28 104.95 3i7b n THR 436 Ca -0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 3i7b n THR 436 Cb 0.09 -0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 67.81 3i7b n THR 436 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3i7b h LEU 437 N 0.00 -0.18 -0.66 3.22 5.85 -0.62 -1.21 115.31 121.71 3i7b h LEU 437 Ca 0.00 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.92 3i7b h LEU 437 Cb 0.00 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.04 3i7b h LEU 437 CO 0.00 -0.06 -0.21 0.25 -0.34 0.00 0.00 178.44 178.08 3i7b h LEU 438 N 0.03 -0.75 -0.30 2.25 6.46 -1.81 0.39 115.31 121.57 3i7b h LEU 438 Ca 0.12 0.21 -0.20 0.00 -0.12 0.00 0.00 57.88 57.89 3i7b h LEU 438 Cb 0.17 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 3i7b h LEU 438 CO -0.24 -0.25 -0.75 0.77 -0.62 0.00 0.00 178.44 177.36 3i7b h SER 439 N -0.04 0.68 -0.35 1.25 4.64 -1.80 -2.09 113.55 115.84 3i7b h SER 439 Ca 0.31 -0.45 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 3i7b h SER 439 Cb 0.51 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3i7b h SER 439 CO -0.70 1.21 -0.06 0.03 -0.87 0.00 0.00 176.83 176.43 3i7b h ARG 440 N 0.39 0.66 -0.27 4.77 3.08 0.03 -0.24 114.38 122.80 3i7b h ARG 440 Ca -0.04 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.62 3i7b h ARG 440 Cb 1.34 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3i7b h ARG 440 CO 0.14 0.81 -0.43 0.93 -1.07 0.00 0.00 179.97 180.35 3i7b h GLU 441 N 0.45 0.67 -0.62 0.04 5.08 -0.38 -2.00 114.58 117.83 3i7b h GLU 441 Ca 0.09 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 3i7b h GLU 441 Cb 0.56 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3i7b h GLU 441 CO 0.03 0.97 0.07 -0.09 -1.00 0.00 0.00 179.01 179.00 3i7b h ARG 442 N 0.54 1.02 -0.18 2.33 2.43 -1.32 0.02 114.38 119.22 3i7b h ARG 442 Ca 0.04 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3i7b h ARG 442 Cb 0.97 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3i7b h ARG 442 CO 0.09 0.95 0.06 1.25 -1.51 0.00 0.00 179.97 180.81 3i7b h LEU 443 N 0.95 0.26 -0.59 3.80 5.85 -0.92 -0.37 115.31 124.30 3i7b h LEU 443 Ca 0.19 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3i7b h LEU 443 Cb 0.45 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3i7b h LEU 443 CO 0.02 0.39 0.29 -0.08 -0.34 0.00 0.00 178.44 178.71 3i7b h GLU 444 N 0.12 0.84 -0.61 1.25 4.81 -1.24 -0.18 114.58 119.56 3i7b h GLU 444 Ca 0.06 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3i7b h GLU 444 Cb 0.22 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3i7b h GLU 444 CO -0.00 0.67 0.40 0.00 -0.73 0.00 0.00 179.01 179.35 3i7b h ARG 445 N 0.80 0.81 -0.50 1.92 3.08 -0.86 0.08 114.38 119.70 3i7b h ARG 445 Ca 0.20 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 3i7b h ARG 445 Cb 0.10 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3i7b h ARG 445 CO -0.03 0.55 0.03 0.00 -1.07 0.00 0.00 179.97 179.45 3i7b h ALA 446 N 1.22 1.12 -0.26 0.04 0.00 -0.71 0.01 119.26 120.67 3i7b h ALA 446 Ca 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i7b h ALA 446 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i7b h ALA 446 CO -0.05 0.57 0.09 0.35 0.00 0.00 0.00 179.25 180.21 3i7b h PHE 447 N 0.76 0.42 -0.28 0.00 3.57 -0.52 -1.49 116.94 119.42 3i7b h PHE 447 Ca 0.15 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3i7b h PHE 447 Cb 0.42 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3i7b h PHE 447 CO 0.02 0.45 0.08 0.00 -2.23 0.00 0.00 178.31 176.64 3i7b h ARG 448 N 0.27 0.43 -0.42 1.11 2.47 -0.74 -1.52 114.38 115.99 3i7b h ARG 448 Ca 0.09 -0.10 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 3i7b h ARG 448 Cb 0.23 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.43 3i7b h ARG 448 CO -0.00 0.50 0.13 1.98 0.56 0.00 0.00 179.97 183.14 3i7b h MET 449 N 0.28 0.27 -1.00 0.04 4.05 -0.98 -2.38 114.93 115.21 3i7b h MET 449 Ca 0.09 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.51 3i7b h MET 449 Cb 0.26 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.94 3i7b h MET 449 CO -0.00 0.18 0.66 0.35 0.23 0.00 0.00 176.91 178.33 3i7b h PHE 450 N 0.28 1.25 -0.16 1.39 3.57 -1.11 -3.32 116.94 118.83 3i7b h PHE 450 Ca 0.20 0.03 -0.70 0.00 3.53 0.00 0.00 57.97 61.03 3i7b h PHE 450 Cb 0.21 -0.42 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3i7b h PHE 450 CO -0.17 0.77 2.92 -3.47 -2.23 0.00 0.00 178.31 176.13 3i7b n ASP 451 N -4.40 4.02 0.23 0.41 2.03 -0.58 -4.79 116.55 113.46 3i7b n ASP 451 Ca 0.12 -2.85 0.07 0.00 0.52 0.00 0.00 54.79 52.66 3i7b n ASP 451 Cb 0.04 -1.66 0.54 0.00 -0.72 0.00 0.00 41.12 39.32 3i7b n ASP 451 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3i7b h SER 452 N 6.38 0.00 -0.11 1.67 4.64 -1.74 -1.48 113.55 122.91 3i7b h SER 452 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3i7b h SER 452 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3i7b h SER 452 CO 1.81 0.21 0.00 0.47 -0.87 0.00 0.00 176.83 178.45 3i7b n ASP 453 N -4.00 1.51 -3.71 4.97 8.00 -1.26 -4.94 116.55 117.11 3i7b n ASP 453 Ca -0.02 -1.62 -0.28 0.00 0.71 0.00 0.00 54.79 53.58 3i7b n ASP 453 Cb 0.29 -0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.35 3i7b n ASP 453 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i7b n ASN 454 N 0.20 -4.97 0.20 -2.24 4.13 -0.56 -4.88 115.26 107.14 3i7b n ASN 454 Ca 0.17 -0.65 0.07 0.00 1.68 0.00 0.00 54.58 55.85 3i7b n ASN 454 Cb 0.32 -3.98 0.37 0.00 -1.54 0.00 0.00 39.78 34.95 3i7b n ASN 454 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3i7b h SER 455 N -1.91 0.00 0.00 6.41 4.64 -1.92 -3.47 113.55 117.30 3i7b h SER 455 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3i7b h SER 455 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3i7b h SER 455 CO 0.63 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.53 3i7b n GLY 456 N 0.20 0.77 3.08 -0.77 0.00 -1.26 -5.02 105.19 102.19 3i7b n GLY 456 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3i7b n GLY 456 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7b s LYS 457 N -0.05 0.59 -0.11 1.61 1.02 -1.26 -3.94 119.74 117.60 3i7b s LYS 457 Ca 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 55.06 3i7b s LYS 457 Cb 0.00 -0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.14 3i7b s LYS 457 CO 0.00 -0.00 -0.15 0.42 -0.92 0.00 0.00 175.35 174.70 3i7b s ILE 458 N -2.29 2.86 0.74 2.17 1.01 0.35 -4.94 121.20 121.10 3i7b s ILE 458 Ca -0.03 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3i7b s ILE 458 Cb -0.04 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.30 3i7b s ILE 458 CO -0.02 0.54 1.11 -0.94 0.00 0.00 0.00 174.94 175.63 3i7b s SER 459 N 0.17 5.13 0.32 3.58 1.04 -1.26 -1.13 113.70 121.55 3i7b s SER 459 Ca -0.09 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.43 3i7b s SER 459 Cb -0.15 -1.82 0.54 0.00 0.10 0.00 0.00 66.02 64.69 3i7b s SER 459 CO 0.05 -1.54 1.96 0.28 0.98 0.00 0.00 173.24 174.98 3i7b h SER 460 N -0.79 0.79 -0.48 7.02 0.02 -1.63 0.16 113.55 118.64 3i7b h SER 460 Ca -0.45 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 3i7b h SER 460 Cb 1.27 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 3i7b h SER 460 CO 0.64 0.62 0.21 0.74 -1.14 0.00 0.00 176.83 177.89 3i7b h THR 461 N 0.91 1.20 -0.34 -2.27 2.02 -1.94 0.15 112.91 112.65 3i7b h THR 461 Ca 0.24 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 3i7b h THR 461 Cb -0.02 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3i7b h THR 461 CO -0.04 0.23 0.00 -0.33 0.37 0.00 0.00 175.52 175.75 3i7b h GLU 462 N 0.64 0.60 -0.94 6.66 5.08 -1.75 -2.32 114.58 122.54 3i7b h GLU 462 Ca 0.16 -0.19 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3i7b h GLU 462 Cb 0.16 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 3i7b h GLU 462 CO -0.02 0.72 0.58 -0.07 -1.00 0.00 0.00 179.01 179.23 3i7b h LEU 463 N 0.40 0.88 -0.46 1.33 3.38 -0.61 0.12 115.31 120.36 3i7b h LEU 463 Ca 0.10 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3i7b h LEU 463 Cb 0.45 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3i7b h LEU 463 CO 0.02 0.52 0.28 0.00 0.09 0.00 0.00 178.44 179.35 3i7b h ALA 464 N 1.48 0.59 0.19 1.53 0.00 -0.62 0.08 119.26 122.50 3i7b h ALA 464 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3i7b h ALA 464 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i7b h ALA 464 CO -0.22 -0.02 -0.09 1.15 0.00 0.00 0.00 179.25 180.07 3i7b h THR 465 N 0.57 0.89 -0.35 0.00 2.02 -0.88 -0.56 112.91 114.59 3i7b h THR 465 Ca 0.18 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3i7b h THR 465 Cb -0.01 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3i7b h THR 465 CO -0.07 0.09 0.13 0.40 0.37 0.00 0.00 175.52 176.43 3i7b h ILE 466 N -0.44 0.91 -0.06 3.11 2.04 -0.62 -0.70 117.51 121.76 3i7b h ILE 466 Ca -0.03 -0.09 -0.17 0.00 1.00 0.00 0.00 64.86 65.57 3i7b h ILE 466 Cb 0.34 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3i7b h ILE 466 CO 0.04 0.05 -0.71 -0.26 0.00 0.00 0.00 178.15 177.28 3i7b h PHE 467 N 0.28 0.40 -0.15 1.37 0.04 -1.03 -2.24 116.94 115.61 3i7b h PHE 467 Ca 0.16 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.76 3i7b h PHE 467 Cb 0.12 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3i7b h PHE 467 CO -0.14 0.91 0.06 0.78 -0.60 0.00 0.00 178.31 179.32 3i7b h GLY 468 N 1.47 0.19 1.31 -1.45 0.00 -0.72 -0.45 103.07 103.42 3i7b h GLY 468 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3i7b h GLY 468 CO 0.11 0.04 0.38 -2.08 0.00 0.00 0.00 176.54 174.99 3i7b h VAL 469 N 0.14 1.06 -0.01 4.60 2.07 -0.84 -2.63 116.25 120.64 3i7b h VAL 469 Ca 0.06 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3i7b h VAL 469 Cb 0.02 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3i7b h VAL 469 CO -0.05 0.12 0.00 -1.20 0.02 0.00 0.00 177.57 176.46 3i7b n SER 470 N -4.47 0.63 -3.18 0.57 7.64 -0.64 -4.74 113.62 109.43 3i7b n SER 470 Ca 0.07 -1.24 -0.22 0.00 1.01 0.00 0.00 58.87 58.49 3i7b n SER 470 Cb 0.15 -0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.40 3i7b n SER 470 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3i7b n ASP 471 N -0.50 -6.12 -4.55 6.43 2.03 -0.45 -4.98 116.55 108.41 3i7b n ASP 471 Ca 0.21 -0.39 -0.38 0.00 0.52 0.00 0.00 54.79 54.75 3i7b n ASP 471 Cb 0.21 -4.85 -0.11 0.00 -0.72 0.00 0.00 41.12 35.64 3i7b n ASP 471 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3i7b s VAL 472 N -3.23 5.13 0.36 5.18 1.01 -0.31 -5.04 120.40 123.50 3i7b s VAL 472 Ca 0.42 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 3i7b s VAL 472 Cb -0.18 -3.49 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 3i7b s VAL 472 CO 0.52 0.20 1.19 -0.67 0.00 0.00 0.00 175.10 176.34 3i7b n ASP 473 N 5.05 2.23 0.15 3.32 2.03 -1.26 -4.34 116.55 123.74 3i7b n ASP 473 Ca -0.14 1.15 -0.14 0.00 0.52 0.00 0.00 54.79 56.18 3i7b n ASP 473 Cb 0.51 -1.43 -0.07 0.00 -0.72 0.00 0.00 41.12 39.41 3i7b n ASP 473 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3i7b h SER 474 N 2.19 -0.99 -0.72 1.67 0.02 -1.97 -2.02 113.55 111.73 3i7b h SER 474 Ca -0.45 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 60.66 3i7b h SER 474 Cb 1.30 0.36 -0.04 0.00 0.14 0.00 0.00 62.40 64.16 3i7b h SER 474 CO 0.61 -0.45 0.48 -0.33 -1.14 0.00 0.00 176.83 175.99 3i7b h GLU 475 N -0.63 0.75 0.27 3.45 5.08 -1.99 -2.46 114.58 119.06 3i7b h GLU 475 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3i7b h GLU 475 Cb 0.62 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3i7b h GLU 475 CO -0.15 0.50 -0.13 1.15 -1.00 0.00 0.00 179.01 179.37 3i7b h THR 476 N 0.78 0.77 -0.07 1.13 2.02 -1.78 -0.61 112.91 115.14 3i7b h THR 476 Ca 0.31 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 3i7b h THR 476 Cb 0.22 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3i7b h THR 476 CO -0.10 0.10 -0.41 4.11 0.37 0.00 0.00 175.52 179.59 3i7b h TRP 477 N -0.62 0.17 -0.59 3.16 5.08 -1.28 -1.75 115.95 120.13 3i7b h TRP 477 Ca -0.04 -0.05 -0.10 0.00 1.08 0.00 0.00 58.89 59.79 3i7b h TRP 477 Cb 0.44 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 26.54 3i7b h TRP 477 CO 0.01 0.54 -0.02 0.87 -1.28 0.00 0.00 178.44 178.55 3i7b h LYS 478 N 0.13 1.05 -0.25 0.12 1.57 -1.44 0.00 116.57 117.74 3i7b h LYS 478 Ca 0.01 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3i7b h LYS 478 Cb 0.78 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3i7b h LYS 478 CO 0.06 1.04 0.16 1.03 -0.57 0.00 0.00 179.45 181.17 3i7b h SER 479 N 0.94 0.30 -0.64 0.86 0.87 -0.77 -1.60 113.55 113.50 3i7b h SER 479 Ca 0.16 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3i7b h SER 479 Cb 0.58 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 3i7b h SER 479 CO 0.03 0.24 0.22 0.58 -0.53 0.00 0.00 176.83 177.37 3i7b h VAL 480 N 0.32 1.25 -0.62 2.23 2.07 -1.19 -1.86 116.25 118.45 3i7b h VAL 480 Ca 0.09 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.83 3i7b h VAL 480 Cb -0.01 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3i7b h VAL 480 CO -0.02 0.32 0.36 0.25 0.02 0.00 0.00 177.57 178.50 3i7b h LEU 481 N 0.92 0.56 -1.07 2.57 5.85 -0.88 -0.66 115.31 122.59 3i7b h LEU 481 Ca 0.21 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3i7b h LEU 481 Cb 0.27 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3i7b h LEU 481 CO -0.01 0.38 0.53 -1.28 -0.34 0.00 0.00 178.44 177.73 3i7b h SER 482 N 0.69 1.03 -0.57 1.25 0.87 -0.98 -0.33 113.55 115.51 3i7b h SER 482 Ca 0.26 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 3i7b h SER 482 Cb 0.09 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3i7b h SER 482 CO -0.14 0.78 0.03 -0.33 -0.53 0.00 0.00 176.83 176.65 3i7b h GLU 483 N 1.19 1.01 -0.23 2.24 5.08 -0.71 -3.20 114.58 119.96 3i7b h GLU 483 Ca 0.31 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3i7b h GLU 483 Cb -0.07 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3i7b h GLU 483 CO -0.06 0.97 -0.43 0.28 -1.00 0.00 0.00 179.01 178.77 3i7b h VAL 484 N 0.93 1.31 -1.96 3.13 2.07 -0.61 -3.44 116.25 117.68 3i7b h VAL 484 Ca 0.18 -1.64 -0.18 0.00 0.82 0.00 0.00 66.70 65.88 3i7b h VAL 484 Cb 0.49 1.78 -0.30 0.00 -1.52 0.00 0.00 31.29 31.74 3i7b h VAL 484 CO 0.02 0.52 -0.51 -0.62 0.02 0.00 0.00 177.57 177.00 3i7b s ASP 485 N -6.69 0.43 0.19 0.57 -1.08 -0.18 -5.03 116.67 104.88 3i7b s ASP 485 Ca -0.12 0.10 -0.08 0.00 -0.52 0.00 0.00 52.55 51.92 3i7b s ASP 485 Cb 0.08 1.01 0.09 0.00 -1.46 0.00 0.00 42.92 42.65 3i7b s ASP 485 CO 0.84 -0.31 1.64 0.11 0.52 0.00 0.00 175.17 177.97 3i7b h LYS 486 N 8.20 1.02 -0.91 4.34 1.79 -1.80 -3.09 116.57 126.12 3i7b h LYS 486 Ca -0.18 -0.34 -0.16 0.00 -2.18 0.00 0.00 60.65 57.78 3i7b h LYS 486 Cb 1.15 -0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.62 3i7b h LYS 486 CO 0.28 1.03 0.21 0.09 -1.08 0.00 0.00 179.45 179.97 3i7b n ASN 487 N -4.16 3.46 -4.74 0.86 4.13 -1.26 -4.92 115.26 108.62 3i7b n ASN 487 Ca 0.02 -2.71 -0.41 0.00 1.68 0.00 0.00 54.58 53.16 3i7b n ASN 487 Cb 0.37 -0.65 -0.03 0.00 -1.54 0.00 0.00 39.78 37.93 3i7b n ASN 487 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3i7b s ASN 488 N -0.30 6.80 -0.60 6.41 2.20 -1.17 -4.93 114.94 123.35 3i7b s ASN 488 Ca 0.30 2.48 0.04 0.00 -0.94 0.00 0.00 52.86 54.74 3i7b s ASN 488 Cb 0.24 -2.61 0.37 0.00 -2.00 0.00 0.00 41.25 37.25 3i7b s ASN 488 CO 0.07 -0.61 1.19 -0.90 -2.94 0.00 0.00 177.10 173.91 3i7b n ASP 489 N 2.75 5.13 0.00 3.54 5.68 -1.26 -4.88 116.55 127.51 3i7b n ASP 489 Ca 0.07 -3.71 0.00 0.00 -0.50 0.00 0.00 54.79 50.65 3i7b n ASP 489 Cb 0.42 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 3i7b n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i7b n GLY 490 N -0.33 0.40 3.56 6.12 0.00 -1.26 -5.02 105.19 108.66 3i7b n GLY 490 Ca 0.37 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 3i7b n GLY 490 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i7b s GLU 491 N -3.63 0.79 0.09 1.61 -1.05 -1.26 -1.40 118.70 113.84 3i7b s GLU 491 Ca 0.00 0.29 0.08 0.00 -0.15 0.00 0.00 54.97 55.19 3i7b s GLU 491 Cb 0.00 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 34.03 3i7b s GLU 491 CO 0.00 -0.23 -0.22 0.14 0.95 0.00 0.00 175.26 175.90 3i7b s VAL 492 N -0.93 1.81 0.83 1.83 -7.23 -0.29 -4.94 120.40 111.49 3i7b s VAL 492 Ca -0.05 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 3i7b s VAL 492 Cb -0.01 -1.61 0.17 0.00 0.56 0.00 0.00 36.38 35.49 3i7b s VAL 492 CO 0.04 0.04 1.14 1.51 -0.31 0.00 0.00 175.10 177.52 3i7b s ASP 493 N -1.74 3.71 0.14 4.85 1.47 -1.26 -0.50 116.67 123.35 3i7b s ASP 493 Ca 0.08 -0.30 -0.17 0.00 1.18 0.00 0.00 52.55 53.35 3i7b s ASP 493 Cb -0.10 0.14 -0.00 0.00 -0.34 0.00 0.00 42.92 42.62 3i7b s ASP 493 CO 0.04 -2.31 1.78 0.15 0.68 0.00 0.00 175.17 175.51 3i7b h PHE 494 N -1.00 0.49 -0.66 2.11 3.57 -1.99 -1.44 116.94 118.02 3i7b h PHE 494 Ca -0.37 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 3i7b h PHE 494 Cb 1.24 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 3i7b h PHE 494 CO -0.69 0.34 0.35 0.22 -2.23 0.00 0.00 178.31 176.30 3i7b h ASP 495 N 0.49 0.83 -0.56 0.41 3.58 -1.95 0.40 116.42 119.62 3i7b h ASP 495 Ca 0.13 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 3i7b h ASP 495 Cb -0.01 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 3i7b h ASP 495 CO -0.03 0.69 0.20 -0.33 -2.88 0.00 0.00 179.24 176.89 3i7b h GLU 496 N 0.90 0.86 -0.31 0.28 5.08 -1.90 0.97 114.58 120.48 3i7b h GLU 496 Ca 0.23 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3i7b h GLU 496 Cb 0.05 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3i7b h GLU 496 CO -0.04 0.77 0.13 0.35 -1.00 0.00 0.00 179.01 179.22 3i7b h PHE 497 N 0.78 0.23 -0.61 4.33 3.57 -0.82 -0.38 116.94 124.05 3i7b h PHE 497 Ca 0.18 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3i7b h PHE 497 Cb 0.25 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 3i7b h PHE 497 CO 0.01 0.11 0.33 0.37 -2.23 0.00 0.00 178.31 176.91 3i7b h GLN 498 N 0.27 0.61 -0.76 1.11 4.15 -0.63 -1.84 115.11 118.02 3i7b h GLN 498 Ca 0.13 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.53 3i7b h GLN 498 Cb 0.08 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 3i7b h GLN 498 CO -0.12 0.40 0.51 1.96 -1.93 0.00 0.00 178.83 179.65 3i7b h GLN 499 N 0.63 0.98 -0.25 1.69 4.20 -0.32 -1.84 115.11 120.20 3i7b h GLN 499 Ca 0.27 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 3i7b h GLN 499 Cb 0.15 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3i7b h GLN 499 CO -0.16 0.65 0.10 0.52 -0.67 0.00 0.00 178.83 179.26 3i7b h MET 500 N 1.01 0.38 -0.69 1.46 2.86 -0.38 -2.49 114.93 117.08 3i7b h MET 500 Ca 0.29 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3i7b h MET 500 Cb -0.07 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3i7b h MET 500 CO -0.07 0.43 0.43 -0.07 1.06 0.00 0.00 176.91 178.68 3i7b h LEU 501 N 0.25 0.81 -0.42 1.22 3.38 -0.90 -0.77 115.31 118.88 3i7b h LEU 501 Ca 0.08 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3i7b h LEU 501 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3i7b h LEU 501 CO -0.01 0.62 0.08 -0.07 0.09 0.00 0.00 178.44 179.15 3i7b h LEU 502 N 0.94 0.65 -1.42 1.67 3.38 -1.21 -2.53 115.31 116.80 3i7b h LEU 502 Ca 0.25 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3i7b h LEU 502 Cb -0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3i7b h LEU 502 CO -0.05 0.73 -0.29 0.11 0.09 0.00 0.00 178.44 179.04 3i7b h LYS 503 N 0.54 0.00 0.00 1.13 1.57 -1.04 0.78 116.57 119.56 3i7b h LYS 503 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3i7b h LYS 503 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3i7b h LYS 503 CO 0.01 0.29 0.00 1.28 -0.57 0.00 0.00 179.45 180.46 3i7b n LEU 504 N -4.18 0.30 -1.63 2.94 4.77 -0.33 -3.14 117.00 115.73 3i7b n LEU 504 Ca -0.02 0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 56.34 3i7b n LEU 504 Cb 0.34 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 3i7b n LEU 504 CO 0.38 -0.18 0.30 0.00 -1.33 0.00 0.00 177.39 176.56 3i7b n GLY 506 N -0.84 0.61 0.21 0.00 0.00 -1.19 -4.88 105.19 99.10 3i7b n GLY 506 Ca 0.38 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.10 3i7b n GLY 506 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02