#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7c s THR 44 N 0.00 2.80 0.28 2.46 2.01 -1.26 -4.98 115.64 116.95 3i7c s THR 44 Ca 0.00 0.64 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 3i7c s THR 44 Cb 0.00 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 69.01 3i7c s THR 44 CO 0.00 0.08 1.13 0.00 -0.69 0.00 0.00 174.62 175.15 3i7c s ALA 45 N 0.36 3.42 -0.12 7.40 0.00 -1.26 -5.04 121.76 126.53 3i7c s ALA 45 Ca 0.62 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3i7c s ALA 45 Cb -0.41 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 3i7c s ALA 45 CO 0.39 -0.24 -0.14 0.42 0.00 0.00 0.00 175.76 176.19 3i7c s ILE 46 N -1.11 3.01 0.16 0.00 1.01 -1.26 -4.80 121.20 118.20 3i7c s ILE 46 Ca 0.45 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 3i7c s ILE 46 Cb -0.33 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 39.92 3i7c s ILE 46 CO 0.43 0.54 1.74 0.15 0.00 0.00 0.00 174.94 177.79 3i7c h PHE 47 N 6.50 0.17 0.00 3.97 3.57 -1.96 -2.37 116.94 126.83 3i7c h PHE 47 Ca -0.28 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.23 3i7c h PHE 47 Cb 1.21 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3i7c h PHE 47 CO 0.50 0.06 -0.02 0.77 -2.23 0.00 0.00 178.31 177.39 3i7c h SER 48 N 0.24 0.00 1.10 0.41 0.02 -1.96 -0.94 113.55 112.40 3i7c h SER 48 Ca 0.17 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3i7c h SER 48 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3i7c h SER 48 CO -0.19 0.02 -0.07 0.44 -1.14 0.00 0.00 176.83 175.88 3i7c h ASP 49 N 0.00 0.00 0.00 3.07 3.32 -1.85 -3.36 116.42 117.59 3i7c h ASP 49 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 3i7c h ASP 49 Cb 0.43 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3i7c h ASP 49 CO 0.00 0.07 -1.67 -1.14 -1.72 0.00 0.00 179.24 174.78 3i7c n ARG 50 N -3.19 1.04 -5.13 3.56 0.63 -0.83 -4.89 116.66 107.85 3i7c n ARG 50 Ca 0.01 0.04 -0.30 0.00 -0.92 0.00 0.00 57.85 56.68 3i7c n ARG 50 Cb 0.37 -1.24 -0.15 0.00 0.45 0.00 0.00 32.46 31.88 3i7c n ARG 50 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3i7c s TYR 51 N -2.24 2.26 -0.06 -0.14 2.02 -0.42 -0.01 117.35 118.76 3i7c s TYR 51 Ca -0.12 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 3i7c s TYR 51 Cb 0.04 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 3i7c s TYR 51 CO 0.32 0.02 -0.11 -1.59 -1.57 0.00 0.00 175.55 172.61 3i7c s LYS 52 N -0.81 2.63 0.13 -0.62 -2.85 -0.31 -4.41 119.74 113.50 3i7c s LYS 52 Ca 0.10 -0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 54.14 3i7c s LYS 52 Cb -0.10 -2.48 -0.07 0.00 -2.06 0.00 0.00 37.83 33.13 3i7c s LYS 52 CO 0.00 0.63 1.15 0.20 0.10 0.00 0.00 175.35 177.44 3i7c s GLY 53 N -0.74 2.65 -0.25 0.59 0.00 -1.26 -0.74 107.32 107.56 3i7c s GLY 53 Ca 0.11 0.85 -0.17 0.00 0.00 0.00 0.00 44.72 45.52 3i7c s GLY 53 CO 0.01 1.84 -0.14 -1.06 0.00 0.00 0.00 173.10 173.75 3i7c n GLN 54 N 3.02 0.58 -3.71 2.90 1.13 0.31 -4.93 117.38 116.68 3i7c n GLN 54 Ca 0.05 0.38 -0.03 0.00 -1.94 0.00 0.00 57.00 55.46 3i7c n GLN 54 Cb 0.46 -1.59 -0.01 0.00 0.11 0.00 0.00 30.24 29.21 3i7c n GLN 54 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3i7c s ARG 55 N -2.46 1.07 -0.11 -1.09 1.70 -1.06 -5.01 118.95 111.99 3i7c s ARG 55 Ca -0.35 -0.58 -0.26 0.00 -0.47 0.00 0.00 55.73 54.07 3i7c s ARG 55 Cb 0.11 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.85 3i7c s ARG 55 CO 0.53 -0.49 0.87 0.54 -1.08 0.00 0.00 175.30 175.67 3i7c s VAL 56 N -3.18 4.89 -0.04 4.99 0.11 -1.26 0.14 120.40 126.05 3i7c s VAL 56 Ca 0.12 1.75 -0.02 0.00 -2.93 0.00 0.00 61.98 60.89 3i7c s VAL 56 Cb -0.01 -4.18 -0.27 0.00 -1.53 0.00 0.00 36.38 30.39 3i7c s VAL 56 CO 0.00 0.08 0.69 -0.07 -3.33 0.00 0.00 175.10 172.47 3i7c h LEU 57 N 7.76 0.35 0.00 2.54 3.38 -1.05 -3.46 115.31 124.83 3i7c h LEU 57 Ca -0.33 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3i7c h LEU 57 Cb 1.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3i7c h LEU 57 CO 0.81 1.51 0.00 0.61 0.09 0.00 0.00 178.44 181.46 3i7c n GLY 58 N 1.75 -0.42 3.02 0.83 0.00 -0.98 -5.01 105.19 104.37 3i7c n GLY 58 Ca -0.21 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 3i7c n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i7c s LYS 59 N -2.00 1.49 0.04 1.61 2.47 -1.26 -0.53 119.74 121.56 3i7c s LYS 59 Ca 0.00 -0.38 0.01 0.00 -1.56 0.00 0.00 55.97 54.04 3i7c s LYS 59 Cb 0.00 -1.27 -0.00 0.00 -1.46 0.00 0.00 37.83 35.10 3i7c s LYS 59 CO 0.00 0.05 0.03 0.41 0.16 0.00 0.00 175.35 176.00 3i7c n GLY 60 N 3.68 3.94 3.64 5.54 0.00 -0.91 -4.98 105.19 116.11 3i7c n GLY 60 Ca -0.22 -1.79 -0.47 0.00 0.00 0.00 0.00 46.02 43.54 3i7c n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i7c n SER 61 N -2.49 2.46 0.00 1.61 7.64 -1.26 -2.54 113.62 119.04 3i7c n SER 61 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 3i7c n SER 61 Cb 0.07 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 3i7c n SER 61 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3i7c n PHE 62 N 2.38 0.00 -1.31 1.43 3.72 -1.26 -4.90 117.46 117.52 3i7c n PHE 62 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 3i7c n PHE 62 Cb 0.28 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3i7c n PHE 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i7c n GLY 63 N -1.99 -2.20 3.85 1.37 0.00 -1.05 -4.29 105.19 100.87 3i7c n GLY 63 Ca 0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3i7c n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7c s GLU 64 N -1.88 3.89 -0.15 1.61 2.02 -1.19 -2.14 118.70 120.85 3i7c s GLU 64 Ca 0.00 0.90 0.02 0.00 0.02 0.00 0.00 54.97 55.91 3i7c s GLU 64 Cb 0.00 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.11 3i7c s GLU 64 CO 0.00 -0.30 -0.19 0.08 0.02 0.00 0.00 175.26 174.87 3i7c s VAL 65 N -2.69 1.86 -0.06 2.63 1.01 0.31 -0.66 120.40 122.80 3i7c s VAL 65 Ca 0.58 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3i7c s VAL 65 Cb -0.10 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3i7c s VAL 65 CO 0.35 0.51 -0.13 -0.63 0.00 0.00 0.00 175.10 175.19 3i7c s ILE 66 N 1.09 3.13 -0.17 2.22 -1.09 -0.29 -0.41 121.20 125.69 3i7c s ILE 66 Ca -0.02 -0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 57.42 3i7c s ILE 66 Cb -0.14 -2.24 -0.00 0.00 -1.58 0.00 0.00 42.46 38.49 3i7c s ILE 66 CO -0.06 0.58 1.08 -0.22 -1.23 0.00 0.00 174.94 175.09 3i7c s LEU 67 N -0.58 4.17 0.30 2.97 2.96 0.12 -0.61 118.68 128.00 3i7c s LEU 67 Ca 0.08 1.51 0.05 0.00 -0.22 0.00 0.00 54.13 55.56 3i7c s LEU 67 Cb -0.11 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 3i7c s LEU 67 CO 0.01 -0.61 -0.01 0.00 -1.32 0.00 0.00 176.35 174.42 3i7c s LYS 69 N -3.79 0.30 0.14 0.00 2.20 0.08 -0.62 119.74 118.05 3i7c s LYS 69 Ca 0.32 0.03 -0.31 0.00 -0.36 0.00 0.00 55.97 55.64 3i7c s LYS 69 Cb 0.06 -0.42 -0.10 0.00 -1.51 0.00 0.00 37.83 35.85 3i7c s LYS 69 CO 0.13 -0.08 1.68 0.34 -0.36 0.00 0.00 175.35 177.06 3i7c s ASP 70 N 0.74 6.51 0.49 1.43 2.15 0.52 -1.17 116.67 127.33 3i7c s ASP 70 Ca -0.07 2.67 0.32 0.00 0.43 0.00 0.00 52.55 55.90 3i7c s ASP 70 Cb -0.11 -2.58 1.39 0.00 -0.30 0.00 0.00 42.92 41.32 3i7c s ASP 70 CO -0.01 -0.91 1.95 0.11 -0.17 0.00 0.00 175.17 176.14 3i7c h LYS 71 N 7.57 0.00 0.00 4.34 1.57 -0.77 -1.90 116.57 127.38 3i7c h LYS 71 Ca -0.43 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.07 3i7c h LYS 71 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3i7c h LYS 71 CO 0.94 0.00 -1.90 -0.89 -0.57 0.00 0.00 179.45 177.03 3i7c n ILE 72 N -2.86 1.49 0.95 1.86 5.41 -1.26 -4.75 119.36 120.19 3i7c n ILE 72 Ca 0.00 -0.17 0.12 0.00 1.00 0.00 0.00 62.75 63.70 3i7c n ILE 72 Cb 0.25 -2.05 0.20 0.00 -0.71 0.00 0.00 39.64 37.33 3i7c n ILE 72 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3i7c n THR 73 N -4.30 0.03 -0.85 1.39 -2.24 -1.25 -4.95 114.28 102.11 3i7c n THR 73 Ca -0.37 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3i7c n THR 73 Cb 0.73 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3i7c n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7c n GLY 74 N 1.48 0.56 3.71 3.38 0.00 -0.71 -4.98 105.19 108.62 3i7c n GLY 74 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3i7c n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i7c s GLN 75 N -0.46 4.15 0.14 1.61 2.00 -1.26 -4.56 119.66 121.28 3i7c s GLN 75 Ca 0.00 2.54 -0.17 0.00 -2.00 0.00 0.00 55.36 55.73 3i7c s GLN 75 Cb 0.00 -3.34 -0.07 0.00 0.80 0.00 0.00 33.01 30.40 3i7c s GLN 75 CO 0.00 -0.76 0.59 -1.21 -0.50 0.00 0.00 175.29 173.41 3i7c s GLU 76 N 1.91 4.11 0.12 1.67 2.02 -1.26 -0.36 118.70 126.92 3i7c s GLU 76 Ca 0.76 0.66 -0.06 0.00 0.02 0.00 0.00 54.97 56.35 3i7c s GLU 76 Cb -0.46 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 3i7c s GLU 76 CO 0.34 0.51 0.17 0.00 0.02 0.00 0.00 175.26 176.30 3i7c s ALA 78 N -3.95 3.07 -0.26 0.00 0.00 0.32 -0.83 121.76 120.11 3i7c s ALA 78 Ca 0.14 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 3i7c s ALA 78 Cb 0.05 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.37 3i7c s ALA 78 CO -0.04 -0.20 -0.04 0.08 0.00 0.00 0.00 175.76 175.56 3i7c s VAL 79 N 1.08 2.97 -0.12 0.00 1.01 0.22 -0.50 120.40 125.05 3i7c s VAL 79 Ca 0.03 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 3i7c s VAL 79 Cb -0.14 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3i7c s VAL 79 CO 0.02 0.14 0.99 -0.75 0.00 0.00 0.00 175.10 175.50 3i7c s LYS 80 N 1.32 4.39 -0.33 2.72 2.20 0.02 -1.13 119.74 128.94 3i7c s LYS 80 Ca -0.01 1.35 -0.07 0.00 -0.36 0.00 0.00 55.97 56.88 3i7c s LYS 80 Cb -0.17 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3i7c s LYS 80 CO -0.03 -0.34 0.10 0.08 -0.36 0.00 0.00 175.35 174.79 3i7c s VAL 81 N 2.13 3.88 -0.24 4.02 1.01 0.16 -1.11 120.40 130.25 3i7c s VAL 81 Ca 0.47 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 3i7c s VAL 81 Cb -0.18 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3i7c s VAL 81 CO 0.16 -0.10 0.10 -0.63 0.00 0.00 0.00 175.10 174.63 3i7c s ILE 82 N 1.44 4.68 -0.30 2.22 1.01 -0.05 -3.20 121.20 127.00 3i7c s ILE 82 Ca -0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.33 3i7c s ILE 82 Cb -0.19 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.11 3i7c s ILE 82 CO 0.03 0.34 0.95 -0.55 0.00 0.00 0.00 174.94 175.71 3i7c s SER 83 N 1.42 6.85 0.53 3.58 0.15 -1.26 -0.28 113.70 124.70 3i7c s SER 83 Ca 0.06 0.96 0.20 0.00 0.70 0.00 0.00 55.95 57.87 3i7c s SER 83 Cb -0.15 -2.49 1.41 0.00 -1.71 0.00 0.00 66.02 63.08 3i7c s SER 83 CO 0.05 -0.73 2.16 0.11 1.20 0.00 0.00 173.24 176.03 3i7c h LYS 84 N 7.98 0.00 -0.34 5.44 1.57 -0.96 -0.52 116.57 129.74 3i7c h LYS 84 Ca -0.22 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3i7c h LYS 84 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3i7c h LYS 84 CO 0.96 0.03 -0.27 0.00 -0.57 0.00 0.00 179.45 179.60 3i7c h ARG 85 N 0.00 0.70 0.00 3.15 3.08 -1.93 -3.33 114.38 116.05 3i7c h ARG 85 Ca -0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3i7c h ARG 85 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3i7c h ARG 85 CO 0.00 0.89 -1.52 0.94 -1.07 0.00 0.00 179.97 179.21 3i7c n GLN 86 N -4.10 0.40 -3.89 0.04 7.27 -0.72 -4.87 117.38 111.52 3i7c n GLN 86 Ca -0.00 -0.10 -0.27 0.00 0.07 0.00 0.00 57.00 56.70 3i7c n GLN 86 Cb 0.45 -1.53 -0.17 0.00 2.41 0.00 0.00 30.24 31.40 3i7c n GLN 86 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3i7c s VAL 87 N -3.31 0.98 0.16 1.69 1.01 -0.28 -4.98 120.40 115.67 3i7c s VAL 87 Ca -0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 3i7c s VAL 87 Cb 0.15 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 3i7c s VAL 87 CO 0.88 0.30 0.69 -0.54 0.00 0.00 0.00 175.10 176.43 3i7c s LYS 88 N 1.72 4.31 0.16 2.72 1.02 -1.26 -4.51 119.74 123.90 3i7c s LYS 88 Ca 0.04 0.89 -0.27 0.00 0.02 0.00 0.00 55.97 56.65 3i7c s LYS 88 Cb -0.13 -3.08 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 3i7c s LYS 88 CO -0.08 0.51 0.83 -0.65 -0.92 0.00 0.00 175.35 175.04 3i7c s GLN 89 N -1.53 4.64 0.11 1.68 -0.21 -1.26 -0.80 119.66 122.28 3i7c s GLN 89 Ca 0.37 1.25 0.20 0.00 0.02 0.00 0.00 55.36 57.20 3i7c s GLN 89 Cb -0.19 -3.29 -0.10 0.00 1.00 0.00 0.00 33.01 30.43 3i7c s GLN 89 CO 0.22 0.48 0.87 1.63 -2.12 0.00 0.00 175.29 176.37 3i7c n LYS 90 N 1.86 0.62 -4.37 2.91 5.02 1.00 -4.85 118.16 120.36 3i7c n LYS 90 Ca -0.04 0.12 -0.26 0.00 -2.02 0.00 0.00 58.31 56.12 3i7c n LYS 90 Cb 0.49 -1.78 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 3i7c n LYS 90 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3i7c s THR 91 N -3.18 2.32 0.72 -0.18 -4.23 -1.25 -5.02 115.64 104.82 3i7c s THR 91 Ca -0.03 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 3i7c s THR 91 Cb 0.10 -2.91 0.03 0.00 1.34 0.00 0.00 72.50 71.05 3i7c s THR 91 CO 0.81 -0.08 1.09 1.51 -0.54 0.00 0.00 174.62 177.41 3i7c s ASP 92 N -3.77 5.24 0.25 3.99 1.47 -1.26 -4.91 116.67 117.69 3i7c s ASP 92 Ca 0.37 1.23 -0.03 0.00 1.18 0.00 0.00 52.55 55.29 3i7c s ASP 92 Cb 0.04 -2.03 0.51 0.00 -0.34 0.00 0.00 42.92 41.10 3i7c s ASP 92 CO 0.20 -1.48 1.69 0.50 0.68 0.00 0.00 175.17 176.76 3i7c h LYS 93 N -0.75 0.31 -0.02 2.11 3.64 -2.00 -2.63 116.57 117.22 3i7c h LYS 93 Ca -0.45 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 3i7c h LYS 93 Cb 1.25 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 3i7c h LYS 93 CO 0.62 0.21 -0.37 0.93 -2.27 0.00 0.00 179.45 178.57 3i7c h GLU 94 N 0.32 -0.49 0.00 1.90 4.39 -2.00 -2.17 114.58 116.53 3i7c h GLU 94 Ca 0.44 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 60.08 3i7c h GLU 94 Cb 0.76 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 3i7c h GLU 94 CO -0.50 -0.33 -0.47 0.66 -1.16 0.00 0.00 179.01 177.21 3i7c h SER 95 N -0.51 0.00 -0.13 1.42 4.64 -1.86 -2.45 113.55 114.66 3i7c h SER 95 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3i7c h SER 95 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3i7c h SER 95 CO -0.30 0.47 0.04 0.25 -0.87 0.00 0.00 176.83 176.42 3i7c h LEU 96 N 0.00 0.18 -0.65 5.97 5.85 -1.24 -1.50 115.31 123.93 3i7c h LEU 96 Ca -0.00 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3i7c h LEU 96 Cb 0.87 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3i7c h LEU 96 CO 0.06 0.33 0.38 -0.07 -0.34 0.00 0.00 178.44 178.80 3i7c h LEU 97 N 0.02 0.59 -0.63 2.25 3.38 -1.15 0.30 115.31 120.08 3i7c h LEU 97 Ca 0.04 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i7c h LEU 97 Cb 0.21 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3i7c h LEU 97 CO -0.00 0.40 0.41 0.03 0.09 0.00 0.00 178.44 179.36 3i7c h ARG 98 N 0.72 0.81 -0.21 1.13 -0.00 -1.38 -0.17 114.38 115.27 3i7c h ARG 98 Ca 0.27 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.68 3i7c h ARG 98 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 29.88 3i7c h ARG 98 CO -0.14 0.54 0.04 1.49 0.00 0.00 0.00 179.97 181.90 3i7c h GLU 99 N 0.83 0.34 -0.48 0.04 4.57 -0.79 -1.47 114.58 117.64 3i7c h GLU 99 Ca 0.23 -0.09 0.08 0.00 -1.18 0.00 0.00 59.36 58.40 3i7c h GLU 99 Cb -0.08 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.41 3i7c h GLU 99 CO -0.06 0.48 0.12 0.28 -1.18 0.00 0.00 179.01 178.65 3i7c h VAL 100 N 0.15 0.77 -0.86 0.32 2.07 -0.75 0.28 116.25 118.23 3i7c h VAL 100 Ca 0.07 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3i7c h VAL 100 Cb 0.30 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3i7c h VAL 100 CO 0.00 0.05 0.55 -0.61 0.02 0.00 0.00 177.57 177.58 3i7c h GLN 101 N 0.26 1.01 0.08 1.57 5.75 -0.83 -0.84 115.11 122.10 3i7c h GLN 101 Ca 0.24 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3i7c h GLN 101 Cb 0.29 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3i7c h GLN 101 CO -0.29 0.67 -0.04 1.25 -2.65 0.00 0.00 178.83 177.77 3i7c h LEU 102 N 1.04 -0.09 -1.07 -2.39 5.85 -0.56 -3.22 115.31 114.86 3i7c h LEU 102 Ca 0.35 -0.35 0.17 0.00 0.84 0.00 0.00 57.88 58.90 3i7c h LEU 102 Cb 0.06 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 3i7c h LEU 102 CO -0.14 0.31 0.62 -0.07 -0.34 0.00 0.00 178.44 178.82 3i7c h LEU 103 N -0.50 0.79 -1.89 2.25 3.38 -0.12 0.01 115.31 119.21 3i7c h LEU 103 Ca -0.01 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3i7c h LEU 103 Cb 0.43 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i7c h LEU 103 CO 0.02 0.33 -0.13 0.11 0.09 0.00 0.00 178.44 178.86 3i7c h LYS 104 N 0.79 0.00 0.00 1.13 1.57 -1.18 -2.76 116.57 116.13 3i7c h LYS 104 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 3i7c h LYS 104 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3i7c h LYS 104 CO -0.32 0.13 -0.72 1.04 -0.57 0.00 0.00 179.45 179.00 3i7c n GLN 105 N -3.77 0.19 -2.75 3.15 6.02 -0.04 -4.88 117.38 115.30 3i7c n GLN 105 Ca -0.02 0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 3i7c n GLN 105 Cb 0.23 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 3i7c n GLN 105 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i7c s LEU 106 N -3.70 3.90 -0.20 1.08 1.43 -1.04 -5.06 118.68 115.09 3i7c s LEU 106 Ca 0.07 1.70 -0.09 0.00 -1.03 0.00 0.00 54.13 54.78 3i7c s LEU 106 Cb 0.15 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.91 3i7c s LEU 106 CO 0.74 -0.42 0.45 -0.62 0.23 0.00 0.00 176.35 176.73 3i7c s ASP 107 N -2.27 -0.46 -0.25 2.29 -1.08 -1.26 -4.85 116.67 108.80 3i7c s ASP 107 Ca 0.62 1.02 -0.19 0.00 -0.52 0.00 0.00 52.55 53.48 3i7c s ASP 107 Cb -0.10 1.16 0.07 0.00 -1.46 0.00 0.00 42.92 42.59 3i7c s ASP 107 CO 0.16 -0.22 0.64 -2.28 0.52 0.00 0.00 175.17 173.99 3i7c s HIS 108 N 2.05 -0.84 0.14 -5.34 2.46 -1.26 -5.05 115.29 107.45 3i7c s HIS 108 Ca -0.06 1.85 0.27 0.00 0.47 0.00 0.00 55.06 57.60 3i7c s HIS 108 Cb -0.10 0.40 1.49 0.00 -0.13 0.00 0.00 32.58 34.24 3i7c s HIS 108 CO -0.14 -0.42 1.82 -1.00 -2.47 0.00 0.00 174.74 172.54 3i7c h PRO 109 N 6.05 0.00 -0.37 2.88 0.13 -1.99 -1.17 132.00 137.53 3i7c h PRO 109 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3i7c h PRO 109 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3i7c h PRO 109 CO 0.14 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.00 3i7c n ASN 110 N -2.50 3.42 0.00 1.44 5.03 -1.26 -4.69 115.26 116.70 3i7c n ASN 110 Ca -0.02 -2.33 0.00 0.00 0.87 0.00 0.00 54.58 53.11 3i7c n ASN 110 Cb 0.11 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 3i7c n ASN 110 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3i7c n ILE 111 N 0.34 0.00 -4.11 2.41 2.08 -0.44 -0.70 119.36 118.93 3i7c n ILE 111 Ca 0.16 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.26 3i7c n ILE 111 Cb 0.61 0.00 -0.17 0.00 -0.75 0.00 0.00 39.64 39.33 3i7c n ILE 111 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3i7c s LYS 113 N 3.36 0.87 -0.17 0.38 2.47 -1.26 -4.59 119.74 120.79 3i7c s LYS 113 Ca 0.00 -0.09 -0.08 0.00 -1.56 0.00 0.00 55.97 54.24 3i7c s LYS 113 Cb 0.00 -0.92 -0.04 0.00 -1.46 0.00 0.00 37.83 35.40 3i7c s LYS 113 CO 0.00 -0.12 0.10 -1.17 0.16 0.00 0.00 175.35 174.32 3i7c s LEU 114 N 1.11 4.08 -0.20 5.43 2.96 -1.26 -1.19 118.68 129.61 3i7c s LEU 114 Ca -0.08 0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 3i7c s LEU 114 Cb -0.14 -2.03 -0.09 0.00 0.50 0.00 0.00 46.19 44.43 3i7c s LEU 114 CO -0.01 0.24 -0.26 -1.22 -1.32 0.00 0.00 176.35 173.78 3i7c n TYR 115 N 3.11 0.00 -3.95 5.38 4.01 0.71 -4.51 117.16 121.92 3i7c n TYR 115 Ca -0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.49 3i7c n TYR 115 Cb 0.53 -0.74 -0.08 0.00 -0.31 0.00 0.00 39.34 38.74 3i7c n TYR 115 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3i7c s GLU 116 N -2.38 0.75 -0.03 -0.72 0.41 -0.96 -4.99 118.70 110.80 3i7c s GLU 116 Ca -0.28 -1.07 -0.01 0.00 -0.41 0.00 0.00 54.97 53.20 3i7c s GLU 116 Cb 0.11 0.29 0.03 0.00 -1.78 0.00 0.00 34.13 32.78 3i7c s GLU 116 CO 0.37 -0.20 0.05 0.12 -0.49 0.00 0.00 175.26 175.10 3i7c s PHE 117 N -3.89 -0.00 0.18 1.61 5.36 -1.26 -0.95 117.98 119.03 3i7c s PHE 117 Ca 0.06 0.19 0.06 0.00 -0.96 0.00 0.00 56.93 56.27 3i7c s PHE 117 Cb 0.06 -0.20 -0.05 0.00 -0.34 0.00 0.00 43.02 42.49 3i7c s PHE 117 CO -0.11 -0.10 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.39 3i7c s PHE 118 N 1.05 1.48 -0.12 10.12 0.08 -0.01 -4.99 117.98 125.60 3i7c s PHE 118 Ca -0.09 -0.70 -0.07 0.00 0.12 0.00 0.00 56.93 56.20 3i7c s PHE 118 Cb -0.12 -0.74 0.04 0.00 -0.57 0.00 0.00 43.02 41.63 3i7c s PHE 118 CO -0.03 0.19 0.28 -2.00 -0.10 0.00 0.00 175.22 173.55 3i7c s GLU 119 N -3.72 0.26 0.00 0.44 2.12 -1.26 -0.59 118.70 115.96 3i7c s GLU 119 Ca 0.20 0.55 0.00 0.00 0.36 0.00 0.00 54.97 56.08 3i7c s GLU 119 Cb 0.02 -0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.35 3i7c s GLU 119 CO 0.04 -0.14 0.00 -0.40 -0.54 0.00 0.00 175.26 174.22 3i7c n ASP 120 N 4.00 1.36 0.12 -1.70 5.68 -0.52 -5.00 116.55 120.49 3i7c n ASP 120 Ca -0.23 -0.36 0.02 0.00 -0.50 0.00 0.00 54.79 53.72 3i7c n ASP 120 Cb 0.54 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.89 3i7c n ASP 120 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3i7c h LYS 121 N 0.00 0.21 0.00 0.11 1.63 -2.03 -3.28 116.57 113.22 3i7c h LYS 121 Ca 0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3i7c h LYS 121 Cb 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3i7c h LYS 121 CO 0.00 0.40 -1.29 0.41 -3.45 0.00 0.00 179.45 175.52 3i7c n GLY 122 N -0.76 -0.42 3.11 5.01 0.00 -1.26 -4.93 105.19 105.95 3i7c n GLY 122 Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 3i7c n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i7c s TYR 123 N -2.63 0.27 -0.04 1.61 2.02 -1.24 -0.41 117.35 116.94 3i7c s TYR 123 Ca -0.02 -0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 3i7c s TYR 123 Cb 0.08 -0.19 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 3i7c s TYR 123 CO 0.48 -0.37 0.04 -0.06 -1.57 0.00 0.00 175.55 174.07 3i7c s PHE 124 N -2.92 3.22 -0.22 2.71 0.08 0.62 -1.44 117.98 120.03 3i7c s PHE 124 Ca -0.02 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.23 3i7c s PHE 124 Cb 0.01 -1.75 0.05 0.00 -0.57 0.00 0.00 43.02 40.76 3i7c s PHE 124 CO -0.06 0.52 -0.08 0.71 -0.10 0.00 0.00 175.22 176.21 3i7c s TYR 125 N -1.07 2.43 -0.28 0.36 2.02 0.25 -0.87 117.35 120.18 3i7c s TYR 125 Ca 0.19 -1.70 -0.09 0.00 -0.37 0.00 0.00 57.07 55.10 3i7c s TYR 125 Cb -0.12 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3i7c s TYR 125 CO 0.09 -0.76 0.13 -0.51 -1.57 0.00 0.00 175.55 172.93 3i7c s LEU 126 N 1.39 3.84 -0.29 -1.29 1.02 -0.27 -0.83 118.68 122.24 3i7c s LEU 126 Ca -0.04 -0.29 -0.08 0.00 0.02 0.00 0.00 54.13 53.74 3i7c s LEU 126 Cb -0.18 -2.00 -0.00 0.00 0.02 0.00 0.00 46.19 44.03 3i7c s LEU 126 CO -0.07 -0.10 0.10 -0.69 0.02 0.00 0.00 176.35 175.60 3i7c s VAL 127 N 1.65 4.22 0.40 -1.59 1.01 -0.12 -0.80 120.40 125.16 3i7c s VAL 127 Ca 0.06 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3i7c s VAL 127 Cb -0.16 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 3i7c s VAL 127 CO 0.06 0.15 0.16 0.61 0.00 0.00 0.00 175.10 176.08 3i7c n GLY 128 N 4.91 3.21 3.75 4.51 0.00 0.34 -0.21 105.19 121.71 3i7c n GLY 128 Ca -0.15 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 3i7c n GLY 128 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7c s GLU 129 N -3.52 4.63 -0.02 1.61 2.12 -0.33 -0.52 118.70 122.67 3i7c s GLU 129 Ca 0.22 1.75 -0.26 0.00 0.36 0.00 0.00 54.97 57.04 3i7c s GLU 129 Cb 0.01 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 3i7c s GLU 129 CO 0.16 0.17 0.83 0.08 -0.54 0.00 0.00 175.26 175.96 3i7c s VAL 130 N -0.76 4.92 -0.01 3.70 1.01 -1.26 -4.51 120.40 123.49 3i7c s VAL 130 Ca 0.46 1.73 0.05 0.00 0.00 0.00 0.00 61.98 64.22 3i7c s VAL 130 Cb -0.31 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3i7c s VAL 130 CO 0.38 0.23 -0.14 -0.31 0.00 0.00 0.00 175.10 175.26 3i7c s TYR 131 N 0.73 2.70 -0.69 5.22 2.02 -1.26 -4.99 117.35 121.08 3i7c s TYR 131 Ca 0.44 -0.16 0.06 0.00 -0.37 0.00 0.00 57.07 57.03 3i7c s TYR 131 Cb -0.20 -1.57 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 3i7c s TYR 131 CO 0.23 0.25 0.69 0.25 -1.57 0.00 0.00 175.55 175.40 3i7c n THR 132 N 1.89 0.03 0.90 -0.71 -2.24 -0.85 -4.62 114.28 108.69 3i7c n THR 132 Ca -0.16 -0.52 0.13 0.00 -2.27 0.00 0.00 64.05 61.23 3i7c n THR 132 Cb 0.52 1.10 0.49 0.00 -2.10 0.00 0.00 70.33 70.34 3i7c n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7c n GLY 133 N 0.31 -1.49 1.86 3.38 0.00 -0.42 -4.39 105.19 104.44 3i7c n GLY 133 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i7c n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7c n GLY 134 N 1.45 -2.27 3.75 -0.02 0.00 -1.24 -4.53 105.19 102.33 3i7c n GLY 134 Ca 0.06 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3i7c n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7c s GLU 135 N -0.73 4.40 0.21 1.61 2.02 -1.26 -0.52 118.70 124.44 3i7c s GLU 135 Ca 0.00 2.07 -0.14 0.00 0.02 0.00 0.00 54.97 56.92 3i7c s GLU 135 Cb 0.00 -3.17 0.24 0.00 0.10 0.00 0.00 34.13 31.30 3i7c s GLU 135 CO 0.00 -0.20 1.62 1.25 0.02 0.00 0.00 175.26 177.95 3i7c h LEU 136 N 4.83 -0.67 -1.85 1.80 5.85 -1.33 -1.40 115.31 122.54 3i7c h LEU 136 Ca -0.46 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3i7c h LEU 136 Cb 1.22 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 3i7c h LEU 136 CO 0.74 -0.23 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.21 3i7c h PHE 137 N -0.02 0.00 0.00 1.25 -1.00 -1.84 -0.89 116.94 114.43 3i7c h PHE 137 Ca 0.31 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.02 3i7c h PHE 137 Cb 0.49 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 3i7c h PHE 137 CO -0.54 0.14 -0.32 -0.44 -1.61 0.00 0.00 178.31 175.53 3i7c h ASP 138 N 0.00 0.00 0.19 2.17 3.32 -1.65 -2.52 116.42 117.93 3i7c h ASP 138 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3i7c h ASP 138 Cb 0.31 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.88 3i7c h ASP 138 CO 0.02 0.32 -1.15 -0.08 -1.72 0.00 0.00 179.24 176.63 3i7c h GLU 139 N 0.00 0.39 -0.72 3.56 4.57 -1.02 -3.34 114.58 118.02 3i7c h GLU 139 Ca -0.00 -0.67 0.03 0.00 -1.18 0.00 0.00 59.36 57.53 3i7c h GLU 139 Cb 0.98 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.78 3i7c h GLU 139 CO 0.04 1.32 0.46 0.82 -1.18 0.00 0.00 179.01 180.47 3i7c h ILE 140 N -0.15 1.11 0.00 2.32 2.04 -1.18 -2.44 117.51 119.22 3i7c h ILE 140 Ca -0.21 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3i7c h ILE 140 Cb 1.87 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3i7c h ILE 140 CO 0.19 0.16 -0.18 0.16 0.00 0.00 0.00 178.15 178.49 3i7c h ILE 141 N 0.90 0.51 0.00 -0.67 3.07 -1.62 -2.51 117.51 117.19 3i7c h ILE 141 Ca 0.29 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 65.78 3i7c h ILE 141 Cb -0.00 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3i7c h ILE 141 CO -0.10 0.18 0.00 0.77 -1.05 0.00 0.00 178.15 177.94 3i7c h SER 142 N 0.00 0.00 -4.08 2.16 4.64 -1.56 -3.46 113.55 111.24 3i7c h SER 142 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3i7c h SER 142 Cb 0.62 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.77 3i7c h SER 142 CO 0.02 0.00 0.43 -0.13 -0.87 0.00 0.00 176.83 176.28 3i7c s ARG 143 N -3.36 3.42 0.07 4.77 0.52 -0.95 -4.97 118.95 118.45 3i7c s ARG 143 Ca 0.05 1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 56.72 3i7c s ARG 143 Cb 0.07 -2.02 -0.26 0.00 0.52 0.00 0.00 34.95 33.27 3i7c s ARG 143 CO 0.61 -0.79 1.14 -0.22 0.02 0.00 0.00 175.30 176.05 3i7c h LYS 144 N 1.24 0.57 -4.87 3.54 3.64 -1.89 -3.47 116.57 115.33 3i7c h LYS 144 Ca -0.50 -0.74 -0.30 0.00 -1.27 0.00 0.00 60.65 57.84 3i7c h LYS 144 Cb 1.26 0.24 -0.17 0.00 -0.41 0.00 0.00 32.23 33.15 3i7c h LYS 144 CO 0.57 1.33 -0.72 -0.98 -2.27 0.00 0.00 179.45 177.37 3i7c s ARG 145 N -3.00 0.83 -0.22 1.90 1.70 -1.26 -5.04 118.95 113.86 3i7c s ARG 145 Ca -0.08 -1.18 -0.10 0.00 -0.47 0.00 0.00 55.73 53.89 3i7c s ARG 145 Cb 0.06 -0.45 0.09 0.00 -0.57 0.00 0.00 34.95 34.08 3i7c s ARG 145 CO 0.92 0.06 0.51 0.12 -1.08 0.00 0.00 175.30 175.82 3i7c s PHE 146 N -2.67 -0.88 0.39 5.89 5.36 -1.26 -5.03 117.98 119.78 3i7c s PHE 146 Ca 0.06 1.71 0.04 0.00 -0.96 0.00 0.00 56.93 57.78 3i7c s PHE 146 Cb -0.01 0.44 -0.05 0.00 -0.34 0.00 0.00 43.02 43.06 3i7c s PHE 146 CO -0.01 -0.48 0.06 -1.54 -1.46 0.00 0.00 175.22 171.79 3i7c s SER 147 N 2.11 3.04 0.53 6.13 1.04 -1.26 0.14 113.70 125.43 3i7c s SER 147 Ca -0.06 -1.50 0.21 0.00 0.48 0.00 0.00 55.95 55.08 3i7c s SER 147 Cb -0.10 0.11 1.35 0.00 0.10 0.00 0.00 66.02 67.49 3i7c s SER 147 CO -0.15 -0.70 2.09 -0.33 0.98 0.00 0.00 173.24 175.12 3i7c h GLU 148 N 1.84 0.00 -0.29 4.02 5.08 -1.94 -0.73 114.58 122.56 3i7c h GLU 148 Ca -0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 3i7c h GLU 148 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3i7c h GLU 148 CO 0.69 0.00 0.11 0.28 -1.00 0.00 0.00 179.01 179.10 3i7c h VAL 149 N 0.00 1.18 -0.66 3.13 2.07 -1.94 0.82 116.25 120.86 3i7c h VAL 149 Ca 0.11 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 3i7c h VAL 149 Cb 0.44 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3i7c h VAL 149 CO -0.00 0.19 0.11 0.44 0.02 0.00 0.00 177.57 178.33 3i7c h ASP 150 N 0.32 1.04 -0.28 0.57 3.32 -1.62 -1.30 116.42 118.46 3i7c h ASP 150 Ca 0.10 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3i7c h ASP 150 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3i7c h ASP 150 CO -0.01 1.03 0.14 0.00 -1.72 0.00 0.00 179.24 178.69 3i7c h ALA 151 N 1.04 0.36 -0.72 3.45 0.00 -1.07 -2.16 119.26 120.16 3i7c h ALA 151 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i7c h ALA 151 Cb 0.43 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3i7c h ALA 151 CO 0.01 -0.09 0.29 0.00 0.00 0.00 0.00 179.25 179.46 3i7c h ALA 152 N 1.01 0.94 -0.51 0.00 0.00 -0.70 -0.24 119.26 119.76 3i7c h ALA 152 Ca 0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3i7c h ALA 152 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3i7c h ALA 152 CO -0.01 0.56 0.13 0.00 0.00 0.00 0.00 179.25 179.93 3i7c h ARG 153 N 1.04 0.76 0.09 0.00 3.08 -1.18 0.83 114.38 119.00 3i7c h ARG 153 Ca 0.24 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i7c h ARG 153 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3i7c h ARG 153 CO -0.02 0.69 -0.04 0.82 -1.07 0.00 0.00 179.97 180.34 3i7c h ILE 154 N 0.74 1.04 -0.14 2.04 2.04 -0.99 -3.04 117.51 119.19 3i7c h ILE 154 Ca 0.17 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 3i7c h ILE 154 Cb 0.27 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3i7c h ILE 154 CO -0.00 0.12 -0.45 0.40 0.00 0.00 0.00 178.15 178.21 3i7c h ILE 155 N -0.34 1.32 -0.51 -0.67 1.08 -0.79 -2.17 117.51 115.43 3i7c h ILE 155 Ca -0.01 -1.63 0.03 0.00 -0.39 0.00 0.00 64.86 62.86 3i7c h ILE 155 Cb 0.28 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.70 3i7c h ILE 155 CO 0.02 0.50 0.29 -0.09 -0.69 0.00 0.00 178.15 178.17 3i7c h ARG 156 N 0.29 0.55 -0.20 2.37 2.43 -0.91 0.10 114.38 119.00 3i7c h ARG 156 Ca 0.02 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3i7c h ARG 156 Cb 0.91 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 3i7c h ARG 156 CO 0.08 0.36 0.09 1.96 -1.51 0.00 0.00 179.97 180.95 3i7c h GLN 157 N 0.57 0.20 -0.04 0.20 4.20 -1.35 0.17 115.11 119.05 3i7c h GLN 157 Ca 0.21 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 3i7c h GLN 157 Cb 0.07 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3i7c h GLN 157 CO -0.12 0.13 0.02 0.28 -0.67 0.00 0.00 178.83 178.47 3i7c h VAL 158 N 0.20 1.07 -0.29 -0.54 2.07 -1.13 -1.56 116.25 116.07 3i7c h VAL 158 Ca 0.08 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3i7c h VAL 158 Cb 0.03 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3i7c h VAL 158 CO -0.06 0.06 0.07 -0.07 0.02 0.00 0.00 177.57 177.58 3i7c h LEU 159 N -0.02 0.38 -0.13 2.57 3.38 -0.66 -0.39 115.31 120.44 3i7c h LEU 159 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i7c h LEU 159 Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3i7c h LEU 159 CO -0.00 0.39 0.03 -1.28 0.09 0.00 0.00 178.44 177.67 3i7c h SER 160 N 0.41 0.21 -0.32 -0.43 0.87 -0.25 0.56 113.55 114.60 3i7c h SER 160 Ca 0.10 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3i7c h SER 160 Cb 0.17 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3i7c h SER 160 CO -0.00 0.39 0.19 1.23 -0.53 0.00 0.00 176.83 178.11 3i7c h GLY 161 N 0.01 0.47 0.99 5.77 0.00 -1.02 -2.15 103.07 107.14 3i7c h GLY 161 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3i7c h GLY 161 CO 0.00 0.19 0.11 -2.22 0.00 0.00 0.00 176.54 174.62 3i7c h ILE 162 N 0.41 1.03 -0.55 2.60 2.04 -1.03 -2.83 117.51 119.19 3i7c h ILE 162 Ca 0.11 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.00 3i7c h ILE 162 Cb 0.02 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 3i7c h ILE 162 CO -0.02 0.04 0.10 0.74 0.00 0.00 0.00 178.15 179.01 3i7c h THR 163 N 0.22 0.67 0.00 -0.27 2.02 -0.79 0.15 112.91 114.90 3i7c h THR 163 Ca 0.06 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3i7c h THR 163 Cb -0.02 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3i7c h THR 163 CO -0.02 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.91 3i7c n TYR 164 N -5.13 0.00 0.00 3.16 9.36 -0.82 -1.39 117.16 122.34 3i7c n TYR 164 Ca 0.07 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.28 3i7c n TYR 164 Cb 0.29 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 3i7c n TYR 164 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3i7c n HIS 166 N 0.48 0.00 -0.08 2.98 8.25 0.54 -2.65 115.22 124.74 3i7c n HIS 166 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.65 3i7c n HIS 166 Cb 0.05 0.00 0.61 0.00 1.12 0.00 0.00 29.99 31.77 3i7c n HIS 166 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3i7c h LYS 167 N 0.00 0.18 -0.63 -0.41 1.57 -1.46 -0.83 116.57 114.97 3i7c h LYS 167 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3i7c h LYS 167 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3i7c h LYS 167 CO 0.00 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 179.09 3i7c n ASN 168 N -4.41 4.93 -2.73 0.86 3.02 -1.08 -4.95 115.26 110.88 3i7c n ASN 168 Ca 0.12 -2.65 -0.21 0.00 -0.03 0.00 0.00 54.58 51.81 3i7c n ASN 168 Cb 0.60 -0.62 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3i7c n ASN 168 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i7c n LYS 169 N 0.78 -4.14 -4.70 3.52 4.76 -0.32 -5.01 118.16 113.05 3i7c n LYS 169 Ca 0.25 0.87 -0.33 0.00 -2.87 0.00 0.00 58.31 56.23 3i7c n LYS 169 Cb 0.99 -5.58 -0.14 0.00 -1.84 0.00 0.00 35.03 28.46 3i7c n LYS 169 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i7c s ILE 170 N -3.12 3.25 0.04 -0.18 -1.09 -1.26 -5.01 121.20 113.83 3i7c s ILE 170 Ca 0.24 -0.60 0.07 0.00 -2.23 0.00 0.00 60.65 58.13 3i7c s ILE 170 Cb -0.11 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 3i7c s ILE 170 CO 0.30 0.52 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.67 3i7c s VAL 171 N 0.25 2.86 -0.16 2.92 1.01 -1.26 -3.63 120.40 122.40 3i7c s VAL 171 Ca -0.08 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 3i7c s VAL 171 Cb -0.15 -2.21 -0.11 0.00 0.00 0.00 0.00 36.38 33.90 3i7c s VAL 171 CO 0.05 0.33 0.13 -0.74 0.00 0.00 0.00 175.10 174.87 3i7c h HIS 172 N 4.51 0.00 0.00 5.22 2.76 -1.93 -3.02 115.15 122.69 3i7c h HIS 172 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3i7c h HIS 172 Cb 1.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.12 3i7c h HIS 172 CO 0.54 0.66 0.00 -2.13 -1.30 0.00 0.00 177.93 175.70 3i7c n ARG 173 N -4.58 0.00 -1.37 5.26 0.63 -1.26 -4.49 116.66 110.85 3i7c n ARG 173 Ca -0.15 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.73 3i7c n ARG 173 Cb 0.40 -0.65 0.11 0.00 0.45 0.00 0.00 32.46 32.76 3i7c n ARG 173 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3i7c n ASP 174 N 0.60 2.68 -4.71 6.15 8.00 -1.26 -4.79 116.55 123.22 3i7c n ASP 174 Ca 0.00 -3.47 -0.42 0.00 0.71 0.00 0.00 54.79 51.61 3i7c n ASP 174 Cb 0.00 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 3i7c n ASP 174 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i7c s LEU 175 N -3.03 4.37 0.26 0.64 2.96 -1.26 -4.91 118.68 117.70 3i7c s LEU 175 Ca 0.41 2.54 -0.19 0.00 -0.22 0.00 0.00 54.13 56.67 3i7c s LEU 175 Cb 0.38 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.50 3i7c s LEU 175 CO -0.04 -0.80 0.64 -1.59 -1.32 0.00 0.00 176.35 173.23 3i7c s LYS 176 N 1.40 1.66 0.30 1.98 -2.85 -1.26 -4.84 119.74 116.13 3i7c s LYS 176 Ca 0.70 -1.00 0.03 0.00 -1.00 0.00 0.00 55.97 54.69 3i7c s LYS 176 Cb -0.42 0.57 0.62 0.00 -2.06 0.00 0.00 37.83 36.54 3i7c s LYS 176 CO 0.31 -0.74 1.86 -1.35 0.10 0.00 0.00 175.35 175.53 3i7c h PRO 177 N 2.08 0.90 0.00 1.78 0.11 -1.95 -1.12 132.00 133.80 3i7c h PRO 177 Ca -0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i7c h PRO 177 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3i7c h PRO 177 CO 0.28 0.59 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 3i7c n GLU 178 N -4.58 0.15 -0.06 1.05 0.28 -1.26 -1.28 120.64 114.95 3i7c n GLU 178 Ca 0.18 0.43 0.09 0.00 -0.16 0.00 0.00 57.16 57.70 3i7c n GLU 178 Cb 0.35 -1.81 0.41 0.00 1.43 0.00 0.00 31.44 31.82 3i7c n GLU 178 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3i7c n ASN 179 N -2.10 1.06 -4.21 -1.84 5.03 -0.42 -4.70 115.26 108.08 3i7c n ASN 179 Ca 0.02 -1.64 -0.38 0.00 0.87 0.00 0.00 54.58 53.45 3i7c n ASN 179 Cb 0.19 -0.07 -0.11 0.00 -1.02 0.00 0.00 39.78 38.76 3i7c n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3i7c s LEU 180 N -1.52 4.89 0.13 3.41 1.43 -0.40 -0.97 118.68 125.64 3i7c s LEU 180 Ca 0.29 -1.59 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 3i7c s LEU 180 Cb 0.15 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3i7c s LEU 180 CO 0.23 -0.47 0.16 -0.76 0.23 0.00 0.00 176.35 175.74 3i7c s LEU 181 N 1.31 3.98 -0.08 1.79 1.43 -0.31 -1.07 118.68 125.73 3i7c s LEU 181 Ca 0.03 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 3i7c s LEU 181 Cb -0.22 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 3i7c s LEU 181 CO -0.00 0.10 0.37 -0.76 0.23 0.00 0.00 176.35 176.28 3i7c s LEU 182 N -2.90 4.37 0.22 1.79 1.43 0.32 0.40 118.68 124.30 3i7c s LEU 182 Ca 0.32 0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 54.10 3i7c s LEU 182 Cb -0.11 -2.50 0.23 0.00 0.03 0.00 0.00 46.19 43.84 3i7c s LEU 182 CO 0.25 0.21 1.86 -0.08 0.23 0.00 0.00 176.35 178.81 3i7c h GLU 183 N 5.64 0.91 0.00 1.70 4.81 -0.82 -1.11 114.58 125.71 3i7c h GLU 183 Ca -0.47 -0.05 -0.31 0.00 -0.13 0.00 0.00 59.36 58.40 3i7c h GLU 183 Cb 1.20 -0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 3i7c h GLU 183 CO 0.68 0.60 -0.20 -1.13 -0.73 0.00 0.00 179.01 178.22 3i7c n SER 184 N -4.63 -1.21 -0.22 1.04 3.41 -1.26 -2.00 113.62 108.75 3i7c n SER 184 Ca 0.09 -2.90 0.12 0.00 -0.26 0.00 0.00 58.87 55.91 3i7c n SER 184 Cb 0.10 2.32 0.58 0.00 -0.26 0.00 0.00 64.21 66.95 3i7c n SER 184 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i7c n LYS 185 N -0.57 1.29 -2.00 4.33 5.02 -1.26 -3.83 118.16 121.13 3i7c n LYS 185 Ca 0.02 -0.43 -0.37 0.00 -2.02 0.00 0.00 58.31 55.50 3i7c n LYS 185 Cb 0.58 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 34.22 3i7c n LYS 185 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3i7c s SER 186 N -1.71 5.61 0.27 4.39 0.01 -1.26 -4.94 113.70 116.07 3i7c s SER 186 Ca 0.34 2.53 -0.03 0.00 1.31 0.00 0.00 55.95 60.10 3i7c s SER 186 Cb 0.17 -2.62 0.37 0.00 0.21 0.00 0.00 66.02 64.15 3i7c s SER 186 CO 0.27 -1.32 1.87 0.50 0.41 0.00 0.00 173.24 174.97 3i7c h LYS 187 N 1.61 1.00 -0.75 12.44 3.64 -2.05 -2.39 116.57 130.07 3i7c h LYS 187 Ca -0.50 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 3i7c h LYS 187 Cb 1.28 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3i7c h LYS 187 CO 0.58 0.78 0.00 -0.40 -2.27 0.00 0.00 179.45 178.15 3i7c n ASP 188 N -4.32 1.97 -4.77 4.20 5.75 -1.26 -4.98 116.55 113.14 3i7c n ASP 188 Ca 0.07 -2.19 -0.41 0.00 -0.01 0.00 0.00 54.79 52.25 3i7c n ASP 188 Cb 0.14 -0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 39.75 3i7c n ASP 188 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i7c s ALA 189 N -1.51 3.52 0.48 2.12 0.00 -0.90 -4.98 121.76 120.49 3i7c s ALA 189 Ca 0.14 1.29 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 3i7c s ALA 189 Cb 0.10 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3i7c s ALA 189 CO 0.05 -0.69 1.07 -0.80 0.00 0.00 0.00 175.76 175.39 3i7c s ASN 190 N -0.34 6.27 0.14 0.00 0.01 -1.26 -4.75 114.94 115.01 3i7c s ASN 190 Ca 0.51 2.02 -0.29 0.00 -0.71 0.00 0.00 52.86 54.39 3i7c s ASN 190 Cb -0.40 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.62 3i7c s ASN 190 CO 0.52 -0.83 0.93 -0.63 -1.51 0.00 0.00 177.10 175.57 3i7c s ILE 191 N -1.86 4.42 -0.18 0.60 1.01 -1.26 -0.12 121.20 123.82 3i7c s ILE 191 Ca 0.67 2.01 0.00 0.00 0.00 0.00 0.00 60.65 63.33 3i7c s ILE 191 Cb -0.20 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 37.99 3i7c s ILE 191 CO 0.23 0.38 -0.18 -0.13 0.00 0.00 0.00 174.94 175.25 3i7c s ARG 192 N -0.34 3.07 -0.02 2.79 1.81 0.16 -4.12 118.95 122.30 3i7c s ARG 192 Ca 0.44 -0.80 -0.28 0.00 -1.72 0.00 0.00 55.73 53.37 3i7c s ARG 192 Cb -0.24 -2.62 -0.03 0.00 -0.45 0.00 0.00 34.95 31.61 3i7c s ARG 192 CO 0.29 -0.17 0.91 0.42 -0.68 0.00 0.00 175.30 176.07 3i7c s ILE 193 N 1.23 4.91 0.16 1.52 1.01 0.12 -1.16 121.20 128.99 3i7c s ILE 193 Ca 0.03 1.90 0.05 0.00 0.00 0.00 0.00 60.65 62.63 3i7c s ILE 193 Cb -0.14 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 3i7c s ILE 193 CO -0.09 0.18 0.11 0.27 0.00 0.00 0.00 174.94 175.40 3i7c s ILE 194 N 0.98 4.33 0.00 2.92 -4.36 -0.15 -4.59 121.20 120.33 3i7c s ILE 194 Ca 0.48 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.73 3i7c s ILE 194 Cb -0.20 -3.20 0.00 0.00 1.25 0.00 0.00 42.46 40.31 3i7c s ILE 194 CO 0.25 -0.10 0.00 0.47 0.24 0.00 0.00 174.94 175.80 3i7c n ASP 195 N -0.26 -2.72 -4.68 4.36 8.00 -1.26 -4.84 116.55 115.15 3i7c n ASP 195 Ca -0.09 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 3i7c n ASP 195 Cb 0.55 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3i7c n ASP 195 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i7c n PHE 196 N -2.91 2.59 0.00 1.24 3.72 -1.26 -2.49 117.46 118.35 3i7c n PHE 196 Ca 0.00 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3i7c n PHE 196 Cb 0.00 -2.76 0.00 0.00 -0.94 0.00 0.00 39.48 35.78 3i7c n PHE 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i7c n GLY 197 N 4.36 1.52 0.22 1.37 0.00 -1.14 -4.92 105.19 106.60 3i7c n GLY 197 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3i7c n GLY 197 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i7c h LEU 198 N 0.00 0.78 -1.82 0.99 4.07 -1.77 -3.18 115.31 114.37 3i7c h LEU 198 Ca 0.00 -0.44 -0.02 0.00 0.08 0.00 0.00 57.88 57.50 3i7c h LEU 198 Cb 0.00 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.51 3i7c h LEU 198 CO 0.00 1.20 -0.08 0.77 -1.08 0.00 0.00 178.44 179.25 3i7c h SER 199 N 0.51 0.00 0.20 -0.43 4.64 -1.79 -0.43 113.55 116.26 3i7c h SER 199 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3i7c h SER 199 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3i7c h SER 199 CO 0.12 0.08 -0.30 0.74 -0.87 0.00 0.00 176.83 176.60 3i7c h THR 200 N 0.00 1.25 0.00 2.95 2.02 -1.86 -3.33 112.91 113.94 3i7c h THR 200 Ca -0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.99 3i7c h THR 200 Cb 0.40 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3i7c h THR 200 CO 0.01 0.35 -1.63 1.41 0.37 0.00 0.00 175.52 176.04 3i7c n HIS 201 N -4.13 0.00 -4.71 3.16 8.25 -0.47 -4.51 115.22 112.81 3i7c n HIS 201 Ca -0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 3i7c n HIS 201 Cb 0.38 -0.32 -0.16 0.00 1.12 0.00 0.00 29.99 31.01 3i7c n HIS 201 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i7c s PHE 202 N -3.01 1.44 -0.02 4.41 0.08 -0.29 -0.00 117.98 120.58 3i7c s PHE 202 Ca -0.05 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 3i7c s PHE 202 Cb 0.10 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 3i7c s PHE 202 CO 0.63 -0.10 1.09 -2.00 -0.10 0.00 0.00 175.22 174.74 3i7c s GLU 203 N -0.09 4.45 0.50 0.44 2.12 0.02 -4.57 118.70 121.57 3i7c s GLU 203 Ca 0.00 1.55 -0.23 0.00 0.36 0.00 0.00 54.97 56.66 3i7c s GLU 203 Cb -0.09 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.77 3i7c s GLU 203 CO 0.01 -0.25 1.30 0.00 -0.54 0.00 0.00 175.26 175.78 3i7c s ALA 204 N 1.51 2.93 0.56 6.30 0.00 -1.26 -4.56 121.76 127.25 3i7c s ALA 204 Ca 0.54 1.21 -0.20 0.00 0.00 0.00 0.00 51.96 53.51 3i7c s ALA 204 Cb -0.23 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3i7c s ALA 204 CO 0.25 -1.09 1.22 0.45 0.00 0.00 0.00 175.76 176.59 3i7c s SER 205 N -1.03 5.39 0.00 0.00 0.15 -1.26 -4.94 113.70 112.01 3i7c s SER 205 Ca 0.67 2.42 0.25 0.00 0.70 0.00 0.00 55.95 59.99 3i7c s SER 205 Cb -0.37 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 61.78 3i7c s SER 205 CO 0.44 -1.46 1.40 0.29 1.20 0.00 0.00 173.24 175.11 3i7c n LYS 206 N -1.31 2.19 0.00 5.44 5.02 -1.26 -4.78 118.16 123.45 3i7c n LYS 206 Ca 0.12 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 3i7c n LYS 206 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3i7c n LYS 206 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i7c n LYS 207 N 1.07 3.44 0.00 1.97 5.02 -1.26 -4.98 118.16 123.42 3i7c n LYS 207 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3i7c n LYS 207 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3i7c n LYS 207 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3i7c n LYS 209 N 0.00 0.00 0.05 1.97 2.85 -1.26 -1.61 118.16 120.15 3i7c n LYS 209 Ca 0.00 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.34 3i7c n LYS 209 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 3i7c n LYS 209 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i7c n ASP 210 N 0.00 0.54 -0.71 -5.58 8.00 -1.26 -4.46 116.55 113.08 3i7c n ASP 210 Ca 0.00 0.21 0.13 0.00 0.71 0.00 0.00 54.79 55.84 3i7c n ASP 210 Cb 0.00 0.93 0.25 0.00 -0.02 0.00 0.00 41.12 42.27 3i7c n ASP 210 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i7c n LYS 211 N -2.58 1.90 -1.67 -1.24 5.02 -0.63 -4.95 118.16 114.01 3i7c n LYS 211 Ca -0.04 -1.43 -0.47 0.00 -2.02 0.00 0.00 58.31 54.35 3i7c n LYS 211 Cb 0.63 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 3i7c n LYS 211 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i7c n ILE 212 N 0.70 0.20 0.00 -0.18 2.08 -1.26 -1.44 119.36 119.46 3i7c n ILE 212 Ca 0.15 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.42 3i7c n ILE 212 Cb 0.49 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 3i7c n ILE 212 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i7c n GLY 213 N 3.75 3.02 0.30 7.39 0.00 -1.26 -4.92 105.19 113.47 3i7c n GLY 213 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 3i7c n GLY 213 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i7c h THR 214 N 0.00 0.94 -0.22 2.61 1.35 -1.61 -3.00 112.91 112.97 3i7c h THR 214 Ca 0.00 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 3i7c h THR 214 Cb 0.00 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.49 3i7c h THR 214 CO 0.00 0.14 0.05 0.00 -0.25 0.00 0.00 175.52 175.47 3i7c h ALA 215 N 1.42 1.69 -0.14 6.62 0.00 -1.91 -2.38 119.26 124.55 3i7c h ALA 215 Ca 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3i7c h ALA 215 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i7c h ALA 215 CO -0.22 0.25 0.01 1.88 0.00 0.00 0.00 179.25 181.16 3i7c h TYR 216 N 0.31 0.19 0.00 0.00 0.05 -1.82 -3.31 116.97 112.39 3i7c h TYR 216 Ca 0.08 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3i7c h TYR 216 Cb 0.13 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3i7c h TYR 216 CO 0.00 0.20 -0.94 0.66 -1.05 0.00 0.00 178.16 177.02 3i7c n TYR 217 N -4.43 0.00 -2.32 4.88 4.01 -0.91 -4.79 117.16 113.60 3i7c n TYR 217 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3i7c n TYR 217 Cb 0.15 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3i7c n TYR 217 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3i7c s ILE 218 N -2.48 3.55 0.37 -0.72 2.07 -1.16 -4.02 121.20 118.81 3i7c s ILE 218 Ca 0.02 1.23 -0.27 0.00 -1.41 0.00 0.00 60.65 60.23 3i7c s ILE 218 Cb 0.10 -3.79 -0.09 0.00 0.13 0.00 0.00 42.46 38.81 3i7c s ILE 218 CO 0.56 0.16 1.17 0.00 -1.91 0.00 0.00 174.94 174.92 3i7c s ALA 219 N 0.36 3.26 0.36 1.50 0.00 -1.26 -4.93 121.76 121.03 3i7c s ALA 219 Ca 0.56 0.99 0.09 0.00 0.00 0.00 0.00 51.96 53.60 3i7c s ALA 219 Cb -0.33 -3.38 0.83 0.00 0.00 0.00 0.00 23.12 20.23 3i7c s ALA 219 CO 0.35 -0.46 1.86 -1.35 0.00 0.00 0.00 175.76 176.16 3i7c h PRO 220 N 2.98 0.66 0.00 0.00 0.11 -1.93 -1.13 132.00 132.69 3i7c h PRO 220 Ca -0.48 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 3i7c h PRO 220 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3i7c h PRO 220 CO 0.64 0.44 -0.34 1.05 -0.21 0.00 0.00 178.00 179.58 3i7c h GLU 221 N 0.68 0.00 -0.61 1.05 9.09 -1.90 -1.90 114.58 120.99 3i7c h GLU 221 Ca 0.46 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.84 3i7c h GLU 221 Cb 0.76 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.83 3i7c h GLU 221 CO -0.22 0.34 0.28 0.28 0.05 0.00 0.00 179.01 179.75 3i7c h VAL 222 N 0.00 1.22 -0.77 -1.06 2.07 -1.44 -1.31 116.25 114.95 3i7c h VAL 222 Ca -0.00 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3i7c h VAL 222 Cb 0.71 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3i7c h VAL 222 CO 0.04 0.25 0.51 -0.07 0.02 0.00 0.00 177.57 178.33 3i7c h LEU 223 N 0.84 0.85 0.00 2.57 3.38 -1.30 -3.01 115.31 118.64 3i7c h LEU 223 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3i7c h LEU 223 Cb 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3i7c h LEU 223 CO -0.02 0.60 -0.61 1.41 0.09 0.00 0.00 178.44 179.90 3i7c n HIS 224 N -4.44 0.54 0.00 1.13 8.25 -1.00 -4.99 115.22 114.73 3i7c n HIS 224 Ca 0.09 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3i7c n HIS 224 Cb 0.07 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.54 3i7c n HIS 224 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i7c n GLY 225 N 1.34 2.02 3.40 -1.41 0.00 -0.53 -5.05 105.19 104.97 3i7c n GLY 225 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 3i7c n GLY 225 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i7c s THR 226 N -2.08 5.15 0.06 2.61 2.01 -1.20 -4.98 115.64 117.21 3i7c s THR 226 Ca 0.00 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 3i7c s THR 226 Cb 0.00 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 3i7c s THR 226 CO 0.00 -0.48 0.08 -0.72 -0.69 0.00 0.00 174.62 172.81 3i7c s TYR 227 N 1.63 0.32 0.00 4.92 -0.85 -1.26 -4.55 117.35 117.56 3i7c s TYR 227 Ca 0.04 -0.78 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 3i7c s TYR 227 Cb -0.22 -0.21 0.00 0.00 0.38 0.00 0.00 41.96 41.90 3i7c s TYR 227 CO 0.07 -0.45 0.00 -0.40 -1.52 0.00 0.00 175.55 173.26 3i7c n ASP 228 N 0.15 0.00 0.22 -0.18 5.68 -1.26 -5.04 116.55 116.12 3i7c n ASP 228 Ca -0.15 -0.98 0.18 0.00 -0.50 0.00 0.00 54.79 53.34 3i7c n ASP 228 Cb 0.61 0.00 0.84 0.00 -1.14 0.00 0.00 41.12 41.44 3i7c n ASP 228 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i7c h GLU 229 N 0.00 0.00 0.00 0.11 9.09 -2.00 -1.73 114.58 120.05 3i7c h GLU 229 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i7c h GLU 229 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3i7c h GLU 229 CO 0.00 0.00 -0.01 0.87 0.05 0.00 0.00 179.01 179.92 3i7c h LYS 230 N 0.00 0.00 -0.07 1.06 1.79 -1.95 -2.13 116.57 115.27 3i7c h LYS 230 Ca 0.08 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 3i7c h LYS 230 Cb 0.64 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 3i7c h LYS 230 CO -0.00 0.01 0.06 0.00 -1.08 0.00 0.00 179.45 178.43 3i7c h ASP 232 N 0.00 0.00 -0.28 0.00 3.32 -1.62 -2.36 116.42 115.48 3i7c h ASP 232 Ca 0.03 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 3i7c h ASP 232 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3i7c h ASP 232 CO -0.00 0.58 -0.20 0.58 -1.72 0.00 0.00 179.24 178.48 3i7c h VAL 233 N 0.00 1.30 -0.08 -1.35 2.07 -1.40 -1.99 116.25 114.81 3i7c h VAL 233 Ca -0.01 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.22 3i7c h VAL 233 Cb 1.06 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 3i7c h VAL 233 CO 0.08 0.42 -0.21 -0.25 0.02 0.00 0.00 177.57 177.63 3i7c h TRP 234 N 0.37 -0.55 -0.87 1.57 2.91 -1.39 0.53 115.95 118.53 3i7c h TRP 234 Ca 0.06 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.11 3i7c h TRP 234 Cb 0.74 0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 29.60 3i7c h TRP 234 CO 0.07 -0.29 0.57 0.77 -1.03 0.00 0.00 178.44 178.53 3i7c h SER 235 N -0.29 0.98 -0.20 2.65 0.02 -1.39 -0.51 113.55 114.82 3i7c h SER 235 Ca 0.08 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 3i7c h SER 235 Cb 0.41 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3i7c h SER 235 CO -0.25 0.71 -0.26 0.74 -1.14 0.00 0.00 176.83 176.63 3i7c h THR 236 N 1.16 1.27 -0.92 -2.27 2.02 -1.05 -1.45 112.91 111.67 3i7c h THR 236 Ca 0.32 -1.36 0.01 0.00 0.77 0.00 0.00 66.41 66.15 3i7c h THR 236 Cb -0.11 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 3i7c h THR 236 CO -0.07 0.44 0.61 1.23 0.37 0.00 0.00 175.52 178.10 3i7c h GLY 237 N 0.99 1.30 0.92 2.16 0.00 0.22 0.07 103.07 108.73 3i7c h GLY 237 Ca 0.08 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 3i7c h GLY 237 CO 0.06 0.48 -0.02 -2.08 0.00 0.00 0.00 176.54 174.97 3i7c h VAL 238 N 1.25 1.26 -0.42 4.60 2.07 -0.69 -1.18 116.25 123.15 3i7c h VAL 238 Ca 0.34 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3i7c h VAL 238 Cb -0.14 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3i7c h VAL 238 CO -0.07 0.34 0.26 0.40 0.02 0.00 0.00 177.57 178.51 3i7c h ILE 239 N 0.45 1.13 -0.28 4.57 2.04 -1.00 -1.77 117.51 122.64 3i7c h ILE 239 Ca 0.10 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3i7c h ILE 239 Cb 0.49 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3i7c h ILE 239 CO 0.02 0.13 0.16 0.25 0.00 0.00 0.00 178.15 178.71 3i7c h LEU 240 N 0.55 0.25 -0.75 1.44 5.85 -0.85 0.16 115.31 121.96 3i7c h LEU 240 Ca 0.15 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.02 3i7c h LEU 240 Cb -0.01 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 40.87 3i7c h LEU 240 CO -0.03 0.19 0.27 0.22 -0.34 0.00 0.00 178.44 178.75 3i7c h TYR 241 N 0.33 0.45 -0.31 1.25 3.20 -1.00 -1.71 116.97 119.18 3i7c h TYR 241 Ca 0.11 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.85 3i7c h TYR 241 Cb 0.00 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3i7c h TYR 241 CO -0.08 0.02 -0.46 0.82 -1.64 0.00 0.00 178.16 176.82 3i7c h ILE 242 N 0.39 1.28 -0.93 1.81 2.04 -0.41 -2.14 117.51 119.56 3i7c h ILE 242 Ca 0.42 -1.64 0.03 0.00 1.00 0.00 0.00 64.86 64.66 3i7c h ILE 242 Cb 0.67 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 3i7c h ILE 242 CO -0.44 0.54 0.61 -0.07 0.00 0.00 0.00 178.15 178.79 3i7c h LEU 243 N 0.66 1.03 0.00 1.44 3.38 0.07 0.79 115.31 122.67 3i7c h LEU 243 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3i7c h LEU 243 Cb 1.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3i7c h LEU 243 CO 0.10 0.72 -0.90 -0.07 0.09 0.00 0.00 178.44 178.38 3i7c h LEU 244 N 1.20 0.00 0.00 1.67 3.38 -1.26 -3.39 115.31 116.90 3i7c h LEU 244 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3i7c h LEU 244 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3i7c h LEU 244 CO -0.10 0.10 -0.88 -1.54 0.09 0.00 0.00 178.44 176.11 3i7c n SER 245 N -2.79 4.40 -0.24 -0.43 3.41 -0.81 -4.73 113.62 112.43 3i7c n SER 245 Ca -0.01 -0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.57 3i7c n SER 245 Cb 0.60 0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 65.42 3i7c n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7c n GLY 246 N 2.21 0.59 3.06 5.00 0.00 0.27 -4.38 105.19 111.94 3i7c n GLY 246 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 3i7c n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7c s PRO 248 N -0.35 4.25 0.38 0.00 0.02 -1.26 -4.11 135.00 133.92 3i7c s PRO 248 Ca 0.04 2.36 0.14 0.00 0.02 0.00 0.00 61.00 63.56 3i7c s PRO 248 Cb -0.05 -3.04 0.76 0.00 0.02 0.00 0.00 34.50 32.20 3i7c s PRO 248 CO -0.00 -0.36 1.84 -1.00 -0.33 0.00 0.00 177.00 177.15 3i7c h PRO 249 N 3.54 0.00 -4.80 5.54 0.13 -1.91 -3.38 132.00 131.11 3i7c h PRO 249 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 3i7c h PRO 249 Cb 1.23 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.99 3i7c h PRO 249 CO 0.67 0.35 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.98 3i7c s PHE 250 N -4.20 3.38 0.26 1.56 0.08 -1.26 -4.77 117.98 113.03 3i7c s PHE 250 Ca -0.03 -2.39 0.03 0.00 0.12 0.00 0.00 56.93 54.66 3i7c s PHE 250 Cb 0.14 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.34 3i7c s PHE 250 CO 0.72 -0.89 0.02 1.21 -0.10 0.00 0.00 175.22 176.18 3i7c s ASN 251 N 1.11 1.92 0.03 1.36 3.84 -1.26 -4.75 114.94 117.19 3i7c s ASN 251 Ca -0.04 -1.27 -0.23 0.00 0.21 0.00 0.00 52.86 51.53 3i7c s ASN 251 Cb -0.20 -0.00 0.08 0.00 -0.55 0.00 0.00 41.25 40.58 3i7c s ASN 251 CO -0.05 -0.55 1.07 0.61 -2.79 0.00 0.00 177.10 175.39 3i7c n GLY 252 N -0.49 0.38 0.00 1.21 0.00 -1.26 -4.53 105.19 100.49 3i7c n GLY 252 Ca -0.04 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.06 3i7c n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7c n ALA 253 N -1.15 3.05 -3.80 4.61 0.00 -1.26 -4.81 120.51 117.15 3i7c n ALA 253 Ca -0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.01 3i7c n ALA 253 Cb 0.51 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i7c n ALA 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i7c s ASN 254 N -3.03 -0.12 0.19 0.00 2.20 -1.26 -4.43 114.94 108.49 3i7c s ASN 254 Ca 0.12 -0.86 -0.12 0.00 -0.94 0.00 0.00 52.86 51.06 3i7c s ASN 254 Cb 0.18 0.78 0.15 0.00 -2.00 0.00 0.00 41.25 40.36 3i7c s ASN 254 CO 0.63 -1.49 1.80 -0.08 -2.94 0.00 0.00 177.10 175.03 3i7c h GLU 255 N 2.01 0.58 -0.28 3.55 4.81 -1.91 -1.66 114.58 121.68 3i7c h GLU 255 Ca -0.25 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 58.82 3i7c h GLU 255 Cb 1.25 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3i7c h GLU 255 CO 0.31 0.38 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.71 3i7c h TYR 256 N 0.60 0.72 -0.27 0.92 3.20 -1.97 -0.62 116.97 119.55 3i7c h TYR 256 Ca 0.24 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3i7c h TYR 256 Cb 0.10 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3i7c h TYR 256 CO -0.08 0.88 -0.14 -0.44 -1.64 0.00 0.00 178.16 176.74 3i7c h ASP 257 N 0.52 0.44 -0.01 -2.11 3.32 -1.86 0.22 116.42 116.94 3i7c h ASP 257 Ca 0.06 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3i7c h ASP 257 Cb 0.84 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3i7c h ASP 257 CO 0.07 0.61 0.00 0.40 -1.72 0.00 0.00 179.24 178.60 3i7c h ILE 258 N 0.42 1.16 -0.88 0.35 2.04 -0.60 -2.64 117.51 117.36 3i7c h ILE 258 Ca 0.08 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.50 3i7c h ILE 258 Cb 0.50 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 3i7c h ILE 258 CO 0.03 0.13 0.58 -0.07 0.00 0.00 0.00 178.15 178.81 3i7c h LEU 259 N -0.19 0.93 -1.00 1.44 3.38 -0.83 -0.74 115.31 118.30 3i7c h LEU 259 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i7c h LEU 259 Cb 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3i7c h LEU 259 CO -0.00 0.63 0.49 0.11 0.09 0.00 0.00 178.44 179.76 3i7c h LYS 260 N 1.07 1.19 -0.35 1.13 1.57 -0.87 -0.13 116.57 120.18 3i7c h LYS 260 Ca 0.36 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 3i7c h LYS 260 Cb 0.07 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3i7c h LYS 260 CO -0.12 0.86 -0.06 0.87 -0.57 0.00 0.00 179.45 180.43 3i7c h LYS 261 N 1.20 0.66 -0.21 3.15 1.79 -0.94 -2.44 116.57 119.79 3i7c h LYS 261 Ca 0.31 -0.24 0.02 0.00 -2.18 0.00 0.00 60.65 58.56 3i7c h LYS 261 Cb -0.00 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 3i7c h LYS 261 CO -0.05 0.81 0.05 0.28 -1.08 0.00 0.00 179.45 179.46 3i7c h VAL 262 N 0.45 0.92 -0.85 0.50 2.07 -0.88 -0.72 116.25 117.74 3i7c h VAL 262 Ca 0.09 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3i7c h VAL 262 Cb 0.55 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3i7c h VAL 262 CO 0.03 0.02 0.56 -0.08 0.02 0.00 0.00 177.57 178.13 3i7c h GLU 263 N 0.13 1.10 -0.25 1.57 4.81 -1.00 -1.48 114.58 119.46 3i7c h GLU 263 Ca 0.09 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3i7c h GLU 263 Cb 0.08 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3i7c h GLU 263 CO -0.11 0.72 -0.31 0.87 -0.73 0.00 0.00 179.01 179.45 3i7c h LYS 264 N 1.13 0.50 0.00 1.92 1.57 -1.15 -3.47 116.57 117.07 3i7c h LYS 264 Ca 0.32 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3i7c h LYS 264 Cb -0.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3i7c h LYS 264 CO -0.08 0.76 0.00 0.41 -0.57 0.00 0.00 179.45 179.97 3i7c n GLY 265 N -0.24 0.72 3.86 3.86 0.00 -0.30 -5.01 105.19 108.07 3i7c n GLY 265 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3i7c n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7c s LYS 266 N -0.06 3.63 0.15 1.61 1.02 -1.26 -4.93 119.74 119.90 3i7c s LYS 266 Ca 0.00 0.08 -0.09 0.00 0.02 0.00 0.00 55.97 55.98 3i7c s LYS 266 Cb 0.00 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.10 3i7c s LYS 266 CO 0.00 0.74 0.28 1.52 -0.92 0.00 0.00 175.35 176.97 3i7c s TYR 267 N -1.04 0.32 0.19 3.18 -0.85 -1.26 -4.89 117.35 113.00 3i7c s TYR 267 Ca 0.18 -0.69 0.04 0.00 -0.52 0.00 0.00 57.07 56.08 3i7c s TYR 267 Cb -0.14 -0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 3i7c s TYR 267 CO 0.08 -0.69 -0.05 0.95 -1.52 0.00 0.00 175.55 174.31 3i7c s THR 268 N -3.94 1.10 -0.47 -3.49 -4.23 -1.26 -5.04 115.64 98.31 3i7c s THR 268 Ca 0.14 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 3i7c s THR 268 Cb 0.03 -2.12 0.45 0.00 1.34 0.00 0.00 72.50 72.21 3i7c s THR 268 CO -0.02 -0.52 1.54 0.49 -0.54 0.00 0.00 174.62 175.57 3i7c n PHE 269 N -0.32 2.98 1.11 3.99 3.72 -1.26 -4.77 117.46 122.93 3i7c n PHE 269 Ca -0.07 -2.59 0.13 0.00 -0.05 0.00 0.00 57.45 54.87 3i7c n PHE 269 Cb 0.62 -0.79 0.26 0.00 -0.94 0.00 0.00 39.48 38.64 3i7c n PHE 269 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3i7c n GLU 270 N -0.77 2.10 -2.11 -1.08 0.28 -1.26 -4.74 120.64 113.06 3i7c n GLU 270 Ca 0.51 -1.60 -0.34 0.00 -0.16 0.00 0.00 57.16 55.57 3i7c n GLU 270 Cb 0.81 -1.47 0.01 0.00 1.43 0.00 0.00 31.44 32.22 3i7c n GLU 270 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i7c s LEU 271 N -1.93 3.61 0.55 -1.84 1.43 -1.26 -4.95 118.68 114.29 3i7c s LEU 271 Ca 0.32 2.03 0.23 0.00 -1.03 0.00 0.00 54.13 55.68 3i7c s LEU 271 Cb 0.20 -4.56 1.51 0.00 0.03 0.00 0.00 46.19 43.37 3i7c s LEU 271 CO 0.31 -1.28 2.18 -0.65 0.23 0.00 0.00 176.35 177.14 3i7c h PRO 272 N 0.76 0.00 -0.87 1.29 0.11 -2.01 -2.11 132.00 129.18 3i7c h PRO 272 Ca -0.48 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.78 3i7c h PRO 272 Cb 1.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 3i7c h PRO 272 CO 0.56 0.02 0.56 1.96 -0.21 0.00 0.00 178.00 180.90 3i7c h GLN 273 N 0.00 0.56 0.00 1.05 7.50 -1.92 -3.14 115.11 119.15 3i7c h GLN 273 Ca -0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 3i7c h GLN 273 Cb 0.05 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.45 3i7c h GLN 273 CO 0.00 0.37 0.00 0.91 -1.50 0.00 0.00 178.83 178.61 3i7c n TRP 274 N -4.54 0.84 0.11 2.96 7.02 -0.79 -2.77 117.44 120.27 3i7c n TRP 274 Ca 0.17 0.30 -0.01 0.00 -1.02 0.00 0.00 57.50 56.94 3i7c n TRP 274 Cb 0.53 -0.98 0.04 0.00 -2.42 0.00 0.00 31.31 28.48 3i7c n TRP 274 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3i7c h LYS 275 N 0.00 0.00 0.00 -0.99 2.10 -1.73 -2.83 116.57 113.12 3i7c h LYS 275 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i7c h LYS 275 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 3i7c h LYS 275 CO 0.00 0.70 0.00 0.87 -2.00 0.00 0.00 179.45 179.02 3i7c h LYS 276 N 0.00 0.00 -5.45 0.07 1.57 -1.71 -3.45 116.57 107.60 3i7c h LYS 276 Ca -0.01 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 3i7c h LYS 276 Cb 1.42 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.63 3i7c h LYS 276 CO 0.09 0.00 -0.47 0.08 -0.57 0.00 0.00 179.45 178.58 3i7c s VAL 277 N -3.74 5.43 0.61 0.50 1.01 -1.07 -5.03 120.40 118.11 3i7c s VAL 277 Ca -0.01 0.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 3i7c s VAL 277 Cb 0.10 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3i7c s VAL 277 CO 0.40 0.51 0.83 -1.54 0.00 0.00 0.00 175.10 175.30 3i7c n SER 278 N 2.89 0.16 0.00 3.32 3.41 -1.26 -4.92 113.62 117.22 3i7c n SER 278 Ca -0.17 0.76 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 3i7c n SER 278 Cb 0.53 -1.33 0.25 0.00 -0.26 0.00 0.00 64.21 63.41 3i7c n SER 278 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i7c h GLU 279 N 0.30 0.52 -0.40 4.33 4.57 -1.97 -3.09 114.58 118.83 3i7c h GLU 279 Ca -0.48 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 57.46 3i7c h GLU 279 Cb 1.37 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 3i7c h GLU 279 CO 0.49 0.62 -0.16 0.66 -1.18 0.00 0.00 179.01 179.44 3i7c h SER 280 N 0.48 0.74 -0.24 1.04 4.64 -1.99 -0.08 113.55 118.13 3i7c h SER 280 Ca 0.09 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3i7c h SER 280 Cb 0.47 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3i7c h SER 280 CO 0.03 0.90 0.15 0.00 -0.87 0.00 0.00 176.83 177.04 3i7c h ALA 281 N 1.16 0.31 -0.08 5.18 0.00 -1.92 -1.14 119.26 122.78 3i7c h ALA 281 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i7c h ALA 281 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3i7c h ALA 281 CO 0.04 -0.20 -0.27 0.87 0.00 0.00 0.00 179.25 179.69 3i7c h LYS 282 N 0.31 0.14 -0.48 0.00 1.57 -1.42 -0.66 116.57 116.04 3i7c h LYS 282 Ca 0.09 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3i7c h LYS 282 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3i7c h LYS 282 CO -0.02 0.40 -0.02 0.22 -0.57 0.00 0.00 179.45 179.47 3i7c h ASP 283 N 0.12 0.84 -0.19 0.86 3.58 -0.74 -0.85 116.42 120.04 3i7c h ASP 283 Ca 0.02 -0.32 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 3i7c h ASP 283 Cb 0.55 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 3i7c h ASP 283 CO 0.04 0.95 0.02 0.25 -2.88 0.00 0.00 179.24 177.62 3i7c h LEU 284 N 0.71 0.32 -0.54 2.28 5.85 -0.79 -1.82 115.31 121.32 3i7c h LEU 284 Ca 0.13 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.65 3i7c h LEU 284 Cb 0.53 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 3i7c h LEU 284 CO 0.03 0.52 0.17 0.40 -0.34 0.00 0.00 178.44 179.22 3i7c h ILE 285 N 0.11 0.78 -0.71 4.05 2.04 -1.10 -1.81 117.51 120.87 3i7c h ILE 285 Ca 0.06 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.88 3i7c h ILE 285 Cb 0.35 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 3i7c h ILE 285 CO 0.01 0.06 0.38 -0.09 0.00 0.00 0.00 178.15 178.51 3i7c h ARG 286 N 0.34 0.66 -1.09 2.37 2.43 -0.95 0.22 114.38 118.36 3i7c h ARG 286 Ca 0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3i7c h ARG 286 Cb 0.32 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3i7c h ARG 286 CO -0.29 0.43 0.00 1.63 -1.51 0.00 0.00 179.97 180.24 3i7c n LYS 287 N -4.81 0.46 0.00 0.20 5.02 -0.68 -2.17 118.16 116.19 3i7c n LYS 287 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3i7c n LYS 287 Cb 0.23 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3i7c n LYS 287 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i7c n LEU 289 N 0.56 0.00 -4.72 -0.35 4.77 0.77 -2.51 117.00 115.52 3i7c n LEU 289 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3i7c n LEU 289 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3i7c n LEU 289 CO 0.00 0.00 0.91 -0.89 -1.33 0.00 0.00 177.39 176.08 3i7c s THR 290 N 0.00 3.84 0.02 -5.08 2.01 -0.92 -4.96 115.64 110.55 3i7c s THR 290 Ca 0.00 1.35 -0.26 0.00 0.31 0.00 0.00 61.69 63.10 3i7c s THR 290 Cb 0.00 -3.86 -0.17 0.00 0.01 0.00 0.00 72.50 68.47 3i7c s THR 290 CO 0.00 0.12 1.34 0.22 -0.69 0.00 0.00 174.62 175.61 3i7c h TYR 291 N 6.59 -0.32 -3.09 4.92 3.20 -1.91 -3.41 116.97 122.95 3i7c h TYR 291 Ca -0.42 -0.01 -0.58 0.00 3.14 0.00 0.00 58.73 60.87 3i7c h TYR 291 Cb 1.21 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 3i7c h TYR 291 CO 0.66 -0.01 0.84 0.08 -1.64 0.00 0.00 178.16 178.10 3i7c s VAL 292 N -4.91 4.52 0.36 1.81 1.01 -1.26 -4.88 120.40 117.05 3i7c s VAL 292 Ca -0.15 1.82 0.03 0.00 0.00 0.00 0.00 61.98 63.69 3i7c s VAL 292 Cb 0.03 -4.25 0.24 0.00 0.00 0.00 0.00 36.38 32.39 3i7c s VAL 292 CO 0.58 -0.25 1.99 -0.65 0.00 0.00 0.00 175.10 176.77 3i7c h PRO 293 N 7.87 0.72 -1.57 2.72 0.11 -1.99 -2.28 132.00 137.58 3i7c h PRO 293 Ca -0.21 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i7c h PRO 293 Cb 1.07 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3i7c h PRO 293 CO 0.99 0.52 0.00 -1.13 -0.21 0.00 0.00 178.00 178.17 3i7c n SER 294 N -4.42 0.00 -1.04 -2.05 3.41 -1.26 -4.74 113.62 103.53 3i7c n SER 294 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3i7c n SER 294 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3i7c n SER 294 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3i7c n ARG 296 N 0.88 -0.28 -1.93 4.33 0.63 -0.86 -5.07 116.66 114.36 3i7c n ARG 296 Ca 0.00 0.21 -0.40 0.00 -0.92 0.00 0.00 57.85 56.75 3i7c n ARG 296 Cb 0.00 -0.72 0.01 0.00 0.45 0.00 0.00 32.46 32.19 3i7c n ARG 296 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3i7c s ILE 297 N -3.64 2.35 0.74 5.15 2.07 -1.04 -5.01 121.20 121.82 3i7c s ILE 297 Ca 0.00 0.31 -0.11 0.00 -1.41 0.00 0.00 60.65 59.44 3i7c s ILE 297 Cb 0.00 -3.18 0.03 0.00 0.13 0.00 0.00 42.46 39.44 3i7c s ILE 297 CO 0.00 0.04 1.10 -0.94 -1.91 0.00 0.00 174.94 173.23 3i7c s SER 298 N -0.64 5.10 0.15 4.50 1.04 -1.26 -4.90 113.70 117.68 3i7c s SER 298 Ca 0.59 1.18 -0.13 0.00 0.48 0.00 0.00 55.95 58.08 3i7c s SER 298 Cb -0.41 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 63.79 3i7c s SER 298 CO 0.52 -1.57 1.60 0.00 0.98 0.00 0.00 173.24 174.78 3i7c h ALA 299 N -0.81 0.66 -0.67 5.32 0.00 -1.95 -1.20 119.26 120.60 3i7c h ALA 299 Ca -0.46 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 3i7c h ALA 299 Cb 1.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3i7c h ALA 299 CO 0.62 0.45 0.15 -0.09 0.00 0.00 0.00 179.25 180.38 3i7c h ARG 300 N 0.71 1.08 -0.19 0.00 9.65 -1.93 -2.17 114.38 121.52 3i7c h ARG 300 Ca 0.14 -0.26 -0.12 0.00 -1.10 0.00 0.00 59.98 58.64 3i7c h ARG 300 Cb 0.49 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 3i7c h ARG 300 CO 0.02 0.96 -0.39 -0.44 2.80 0.00 0.00 179.97 182.92 3i7c h ASP 301 N 1.02 0.45 -0.38 -3.80 3.32 -1.92 -2.84 116.42 112.28 3i7c h ASP 301 Ca 0.21 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3i7c h ASP 301 Cb 0.38 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3i7c h ASP 301 CO 0.00 0.80 0.23 0.00 -1.72 0.00 0.00 179.24 178.56 3i7c h ALA 302 N 1.22 1.68 0.00 3.45 0.00 -0.73 -1.43 119.26 123.45 3i7c h ALA 302 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3i7c h ALA 302 Cb 0.85 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i7c h ALA 302 CO 0.07 0.28 -0.11 -0.07 0.00 0.00 0.00 179.25 179.43 3i7c h LEU 303 N 0.53 0.00 -0.98 0.00 3.38 -1.15 -2.08 115.31 115.01 3i7c h LEU 303 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3i7c h LEU 303 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i7c h LEU 303 CO -0.03 0.11 -0.06 0.47 0.09 0.00 0.00 178.44 179.02 3i7c n ASP 304 N -3.66 1.58 -4.76 -0.43 8.00 -0.56 -4.59 116.55 112.13 3i7c n ASP 304 Ca -0.02 -1.45 -0.39 0.00 0.71 0.00 0.00 54.79 53.65 3i7c n ASP 304 Cb 0.22 0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.37 3i7c n ASP 304 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i7c s HIS 305 N -2.10 2.63 0.29 1.24 2.46 -0.78 -4.77 115.29 114.26 3i7c s HIS 305 Ca 0.34 1.39 -0.01 0.00 0.47 0.00 0.00 55.06 57.25 3i7c s HIS 305 Cb 0.21 -3.71 0.65 0.00 -0.13 0.00 0.00 32.58 29.60 3i7c s HIS 305 CO 0.37 -2.37 1.59 1.49 -2.47 0.00 0.00 174.74 173.35 3i7c h GLU 306 N 2.24 0.03 -0.37 2.88 4.81 -1.93 -1.24 114.58 121.00 3i7c h GLU 306 Ca -0.50 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3i7c h GLU 306 Cb 1.26 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 3i7c h GLU 306 CO 0.61 0.02 0.20 2.35 -0.73 0.00 0.00 179.01 181.45 3i7c h TRP 307 N 0.03 0.51 -0.51 0.92 7.01 -1.90 0.26 115.95 122.27 3i7c h TRP 307 Ca 0.55 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.48 3i7c h TRP 307 Cb 1.07 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 3i7c h TRP 307 CO -0.51 0.40 0.11 0.82 -2.79 0.00 0.00 178.44 176.48 3i7c h ILE 308 N 0.46 1.24 -0.57 2.65 1.08 -1.63 -1.39 117.51 119.36 3i7c h ILE 308 Ca 0.13 -0.88 -0.06 0.00 -0.39 0.00 0.00 64.86 63.66 3i7c h ILE 308 Cb 0.07 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3i7c h ILE 308 CO -0.02 0.32 0.14 1.56 -0.69 0.00 0.00 178.15 179.46 3i7c h GLN 309 N 0.71 0.91 -0.02 2.37 1.08 -0.89 -2.37 115.11 116.90 3i7c h GLN 309 Ca 0.16 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 3i7c h GLN 309 Cb 0.36 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3i7c h GLN 309 CO 0.00 0.85 -0.14 1.15 -0.95 0.00 0.00 178.83 179.74 3i7c h THR 310 N 0.82 1.50 -0.00 -0.54 2.02 -0.43 -3.28 112.91 113.00 3i7c h THR 310 Ca 0.18 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.67 3i7c h THR 310 Cb 0.35 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3i7c h THR 310 CO 0.00 0.46 -0.22 -1.22 0.37 0.00 0.00 175.52 174.91 3i7c n TYR 311 N -4.61 0.00 0.38 3.16 4.02 -0.53 -3.52 117.16 116.06 3i7c n TYR 311 Ca -0.09 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.87 3i7c n TYR 311 Cb 0.42 -0.29 0.08 0.00 -0.02 0.00 0.00 39.34 39.53 3i7c n TYR 311 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3i7c n THR 312 N -1.28 0.23 -2.06 -0.72 -2.24 -0.89 -4.52 114.28 102.80 3i7c n THR 312 Ca 0.09 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 60.93 3i7c n THR 312 Cb 0.32 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 69.66 3i7c n THR 312 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i7c s LYS 313 N -1.08 3.34 0.00 -0.78 -0.14 -1.23 -4.95 119.74 114.91 3i7c s LYS 313 Ca 0.18 1.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.99 3i7c s LYS 313 Cb 0.12 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 3i7c s LYS 313 CO 0.17 -0.79 0.00 0.39 -0.76 0.00 0.00 175.35 174.36 3i7c n GLU 314 N -2.01 0.00 -3.56 1.68 1.02 -1.26 -5.10 120.64 111.41 3i7c n GLU 314 Ca 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 3i7c n GLU 314 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.91 3i7c n GLU 314 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3i7c s GLN 315 N -0.70 0.64 -0.31 3.49 -0.44 -1.26 -5.22 119.66 115.87 3i7c s GLN 315 Ca 0.00 -0.00 -0.05 0.00 -2.50 0.00 0.00 55.36 52.81 3i7c s GLN 315 Cb 0.00 0.30 0.04 0.00 -1.64 0.00 0.00 33.01 31.71 3i7c s GLN 315 CO 0.00 -0.23 0.05 0.34 0.50 0.00 0.00 175.29 175.95 3i7c s ASP 319 N -1.59 5.06 -0.14 6.67 -1.08 -1.26 -5.16 116.67 119.17 3i7c s ASP 319 Ca 0.01 -1.07 -0.03 0.00 -0.52 0.00 0.00 52.55 50.94 3i7c s ASP 319 Cb -0.01 -1.81 -0.03 0.00 -1.46 0.00 0.00 42.92 39.62 3i7c s ASP 319 CO -0.02 -0.26 -0.05 -0.69 0.52 0.00 0.00 175.17 174.66 3i7c s VAL 320 N 1.37 3.76 0.61 1.11 1.01 -1.26 -5.11 120.40 121.89 3i7c s VAL 320 Ca -0.02 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 3i7c s VAL 320 Cb -0.19 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3i7c s VAL 320 CO 0.01 0.51 1.06 -2.16 0.00 0.00 0.00 175.10 174.52 3i7c s PRO 321 N 0.25 3.21 0.37 2.72 0.04 -1.26 -4.97 135.00 135.36 3i7c s PRO 321 Ca -0.04 1.20 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 3i7c s PRO 321 Cb -0.14 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3i7c s PRO 321 CO 0.03 -0.90 1.05 0.45 0.04 0.00 0.00 177.00 177.67 3i7c s SER 322 N -2.87 6.90 -1.13 6.66 0.15 -1.26 -4.48 113.70 117.67 3i7c s SER 322 Ca 0.63 2.07 -0.07 0.00 0.70 0.00 0.00 55.95 59.29 3i7c s SER 322 Cb -0.16 -2.59 0.27 0.00 -1.71 0.00 0.00 66.02 61.82 3i7c s SER 322 CO 0.39 -0.39 1.49 0.18 1.20 0.00 0.00 173.24 176.11 3i7c n LEU 323 N 0.23 6.23 -0.14 3.45 4.77 0.38 -4.87 117.00 127.06 3i7c n LEU 323 Ca 0.04 -5.03 -0.10 0.00 -0.03 0.00 0.00 56.01 50.89 3i7c n LEU 323 Cb 0.49 -1.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.19 3i7c n LEU 323 CO 0.47 1.51 0.83 0.44 -1.33 0.00 0.00 177.39 179.31 3i7c h ASP 324 N 5.82 0.66 -0.02 -1.43 3.32 -1.94 -2.28 116.42 120.55 3i7c h ASP 324 Ca 0.24 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3i7c h ASP 324 Cb 0.68 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3i7c h ASP 324 CO 1.33 0.76 -0.09 -1.13 -1.72 0.00 0.00 179.24 178.39 3i7c h ASN 325 N 0.54 0.24 -0.11 6.45 -0.00 -1.96 -1.69 115.58 119.05 3i7c h ASN 325 Ca 0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 56.30 56.36 3i7c h ASN 325 Cb 0.39 -0.06 -0.00 0.00 -0.00 0.00 0.00 38.32 38.64 3i7c h ASN 325 CO 0.01 0.36 -0.01 0.00 -0.00 0.00 0.00 177.43 177.80 3i7c h ALA 326 N 1.67 0.14 -0.53 1.57 0.00 -1.65 -0.28 119.26 120.19 3i7c h ALA 326 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3i7c h ALA 326 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3i7c h ALA 326 CO 0.02 -0.15 0.30 0.82 0.00 0.00 0.00 179.25 180.23 3i7c h ILE 327 N -0.09 1.02 -0.18 0.00 2.04 -1.16 0.50 117.51 119.62 3i7c h ILE 327 Ca 0.03 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3i7c h ILE 327 Cb 0.38 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3i7c h ILE 327 CO 0.01 0.11 0.02 0.25 0.00 0.00 0.00 178.15 178.53 3i7c h LEU 328 N 0.59 -0.03 -0.35 1.44 5.85 -1.25 0.22 115.31 121.79 3i7c h LEU 328 Ca 0.22 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3i7c h LEU 328 Cb 0.07 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3i7c h LEU 328 CO -0.12 0.01 0.18 0.78 -0.34 0.00 0.00 178.44 178.95 3i7c h ASN 329 N 0.08 0.44 -0.74 1.25 -0.26 -0.31 -2.18 115.58 113.86 3i7c h ASN 329 Ca 0.08 -0.10 0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3i7c h ASN 329 Cb 0.09 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 3i7c h ASN 329 CO -0.12 0.42 0.49 0.40 -1.06 0.00 0.00 177.43 177.56 3i7c h ILE 330 N 0.43 1.19 -0.44 2.81 2.04 0.24 0.14 117.51 123.93 3i7c h ILE 330 Ca 0.12 -0.35 0.09 0.00 1.00 0.00 0.00 64.86 65.72 3i7c h ILE 330 Cb 0.09 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.18 3i7c h ILE 330 CO -0.02 0.18 -0.06 0.03 0.00 0.00 0.00 178.15 178.29 3i7c h ARG 331 N 1.01 0.04 -0.37 2.37 3.08 -0.36 0.28 114.38 120.43 3i7c h ARG 331 Ca 0.27 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.23 3i7c h ARG 331 Cb -0.12 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3i7c h ARG 331 CO -0.06 0.03 -0.10 0.37 -1.07 0.00 0.00 179.97 179.14 3i7c h GLN 332 N 0.05 0.72 -0.06 0.04 4.15 -0.75 -1.72 115.11 117.54 3i7c h GLN 332 Ca 0.21 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3i7c h GLN 332 Cb 0.32 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 3i7c h GLN 332 CO -0.41 0.88 0.04 0.35 -1.93 0.00 0.00 178.83 177.76 3i7c h PHE 333 N 0.52 0.08 -0.43 3.99 3.57 -0.43 -2.14 116.94 122.10 3i7c h PHE 333 Ca 0.09 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3i7c h PHE 333 Cb 0.62 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 3i7c h PHE 333 CO 0.05 0.06 0.14 0.37 -2.23 0.00 0.00 178.31 176.70 3i7c h GLN 334 N 0.07 0.66 -0.66 1.11 5.75 -0.95 -2.05 115.11 119.04 3i7c h GLN 334 Ca 0.02 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.43 3i7c h GLN 334 Cb 0.00 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.41 3i7c h GLN 334 CO -0.00 0.64 0.39 0.78 -2.65 0.00 0.00 178.83 177.98 3i7c h GLY 335 N 0.55 0.97 0.89 2.39 0.00 -1.23 -0.57 103.07 106.07 3i7c h GLY 335 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3i7c h GLY 335 CO -0.01 0.19 0.08 -0.84 0.00 0.00 0.00 176.54 175.96 3i7c h THR 336 N 0.73 1.21 -0.60 4.70 2.02 -1.24 -1.94 112.91 117.79 3i7c h THR 336 Ca 0.29 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3i7c h THR 336 Cb 0.13 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3i7c h THR 336 CO -0.16 0.23 0.36 1.56 0.37 0.00 0.00 175.52 177.88 3i7c h GLN 337 N 0.30 0.81 -0.32 6.66 1.08 -1.02 -1.64 115.11 120.98 3i7c h GLN 337 Ca 0.09 -0.08 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 3i7c h GLN 337 Cb 0.28 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3i7c h GLN 337 CO -0.00 0.59 -0.34 0.87 -0.95 0.00 0.00 178.83 178.99 3i7c h LYS 338 N 0.81 0.72 -0.25 1.46 1.79 -1.05 -1.05 116.57 119.00 3i7c h LYS 338 Ca 0.21 -0.35 -0.06 0.00 -2.18 0.00 0.00 60.65 58.28 3i7c h LYS 338 Cb -0.01 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3i7c h LYS 338 CO -0.04 0.96 -0.07 1.25 -1.08 0.00 0.00 179.45 180.47 3i7c h LEU 339 N 0.61 0.50 -0.71 2.94 5.85 -1.22 0.30 115.31 123.57 3i7c h LEU 339 Ca 0.06 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3i7c h LEU 339 Cb 0.87 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3i7c h LEU 339 CO 0.08 0.76 0.44 0.00 -0.34 0.00 0.00 178.44 179.37 3i7c h ALA 340 N 0.76 0.94 0.11 1.25 0.00 -1.27 0.33 119.26 121.38 3i7c h ALA 340 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i7c h ALA 340 Cb 0.54 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i7c h ALA 340 CO 0.03 0.21 -0.08 0.37 0.00 0.00 0.00 179.25 179.77 3i7c h GLN 341 N 0.85 -0.19 -0.88 0.00 5.75 -1.09 -1.57 115.11 117.99 3i7c h GLN 341 Ca 0.29 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.85 3i7c h GLN 341 Cb 0.05 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.58 3i7c h GLN 341 CO -0.12 -0.12 0.56 0.00 -2.65 0.00 0.00 178.83 176.49 3i7c h ALA 342 N 0.69 1.19 -0.34 3.38 0.00 -0.42 -0.43 119.26 123.34 3i7c h ALA 342 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i7c h ALA 342 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i7c h ALA 342 CO -0.00 0.35 0.16 0.00 0.00 0.00 0.00 179.25 179.76 3i7c h ALA 343 N 1.39 0.44 -0.72 0.00 0.00 -0.11 -0.70 119.26 119.56 3i7c h ALA 343 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3i7c h ALA 343 Cb 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3i7c h ALA 343 CO -0.15 0.00 0.37 -0.07 0.00 0.00 0.00 179.25 179.40 3i7c h LEU 344 N 0.41 0.92 -0.48 0.00 3.38 -0.91 -3.04 115.31 115.59 3i7c h LEU 344 Ca 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i7c h LEU 344 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3i7c h LEU 344 CO -0.01 0.78 0.25 0.25 0.09 0.00 0.00 178.44 179.80 3i7c h LEU 345 N 1.00 0.62 -1.35 1.67 5.85 -0.85 -1.20 115.31 121.04 3i7c h LEU 345 Ca 0.25 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3i7c h LEU 345 Cb 0.08 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3i7c h LEU 345 CO -0.04 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 178.61 3i7c n TYR 346 N -4.65 0.00 0.00 1.25 9.36 -0.29 -0.71 117.16 122.12 3i7c n TYR 346 Ca 0.02 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3i7c n TYR 346 Cb 0.10 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 3i7c n TYR 346 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3i7c n GLY 348 N 0.61 0.00 0.26 2.98 0.00 -0.45 -1.63 105.19 106.95 3i7c n GLY 348 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3i7c n GLY 348 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i7c h SER 349 N 0.00 0.79 -0.47 1.61 4.64 -1.18 0.42 113.55 119.36 3i7c h SER 349 Ca 0.00 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 3i7c h SER 349 Cb 0.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3i7c h SER 349 CO 0.00 0.99 0.11 0.50 -0.87 0.00 0.00 176.83 177.56 3i7c h LYS 350 N 0.68 0.76 -0.42 4.77 1.63 -1.57 -1.02 116.57 121.40 3i7c h LYS 350 Ca 0.09 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 3i7c h LYS 350 Cb 0.74 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 3i7c h LYS 350 CO 0.06 0.75 0.15 -0.07 -3.45 0.00 0.00 179.45 176.88 3i7c h LEU 351 N 0.64 0.59 -0.83 5.20 3.38 -1.79 -1.60 115.31 120.90 3i7c h LEU 351 Ca 0.15 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3i7c h LEU 351 Cb 0.33 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3i7c h LEU 351 CO 0.00 0.62 0.51 0.74 0.09 0.00 0.00 178.44 180.40 3i7c h THR 352 N 0.53 1.04 -0.43 0.22 2.02 -0.83 -1.60 112.91 113.86 3i7c h THR 352 Ca 0.14 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3i7c h THR 352 Cb 0.23 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 3i7c h THR 352 CO -0.01 0.17 0.26 -1.28 0.37 0.00 0.00 175.52 175.03 3i7c h SER 353 N 0.94 0.51 -0.81 4.18 0.87 -0.95 0.26 113.55 118.56 3i7c h SER 353 Ca 0.36 -0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.94 3i7c h SER 353 Cb 0.15 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 3i7c h SER 353 CO -0.17 0.42 0.48 1.56 -0.53 0.00 0.00 176.83 178.59 3i7c h GLN 354 N 0.56 0.82 0.61 2.24 4.20 -0.85 0.60 115.11 123.28 3i7c h GLN 354 Ca 0.15 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3i7c h GLN 354 Cb 0.00 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.61 3i7c h GLN 354 CO -0.03 0.54 -0.29 0.22 -0.67 0.00 0.00 178.83 178.60 3i7c h ASP 355 N 0.84 -0.69 0.55 1.46 -0.00 -0.88 -3.31 116.42 114.38 3i7c h ASP 355 Ca 0.37 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.03 57.26 3i7c h ASP 355 Cb 0.25 0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.74 3i7c h ASP 355 CO -0.20 -0.33 -0.56 -0.33 -0.00 0.00 0.00 179.24 177.82 3i7c h GLU 356 N -1.11 0.01 -0.32 0.28 5.08 -0.33 -2.87 114.58 115.32 3i7c h GLU 356 Ca -0.08 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3i7c h GLU 356 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3i7c h GLU 356 CO 0.14 0.56 0.01 1.15 -1.00 0.00 0.00 179.01 179.87 3i7c h THR 357 N 0.00 1.25 -0.07 1.13 2.02 -1.01 -0.58 112.91 115.65 3i7c h THR 357 Ca -0.01 -0.93 -0.17 0.00 0.77 0.00 0.00 66.41 66.07 3i7c h THR 357 Cb 0.99 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3i7c h THR 357 CO 0.07 0.30 -0.69 0.11 0.37 0.00 0.00 175.52 175.68 3i7c h LYS 358 N 0.36 0.34 -0.27 6.66 1.57 -1.65 -2.95 116.57 120.64 3i7c h LYS 358 Ca 0.09 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 3i7c h LYS 358 Cb 0.42 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3i7c h LYS 358 CO 0.01 0.90 -0.04 1.49 -0.57 0.00 0.00 179.45 181.25 3i7c h GLU 359 N 0.24 0.49 -0.66 3.15 4.57 -1.39 -1.90 114.58 119.08 3i7c h GLU 359 Ca -0.02 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3i7c h GLU 359 Cb 1.25 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 3i7c h GLU 359 CO 0.11 0.69 0.39 1.25 -1.18 0.00 0.00 179.01 180.28 3i7c h LEU 360 N 0.26 0.80 -0.88 1.64 5.85 -1.15 0.29 115.31 122.11 3i7c h LEU 360 Ca 0.07 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3i7c h LEU 360 Cb 0.49 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3i7c h LEU 360 CO 0.02 0.63 0.56 0.74 -0.34 0.00 0.00 178.44 180.06 3i7c h THR 361 N 0.90 1.10 -0.33 1.05 2.02 -1.49 -1.53 112.91 114.64 3i7c h THR 361 Ca 0.24 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 3i7c h THR 361 Cb -0.02 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 3i7c h THR 361 CO -0.04 0.19 -0.38 0.00 0.37 0.00 0.00 175.52 175.66 3i7c h ALA 362 N 1.39 0.71 -0.17 6.16 0.00 -0.56 -0.93 119.26 125.86 3i7c h ALA 362 Ca 0.37 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i7c h ALA 362 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i7c h ALA 362 CO -0.14 0.66 0.10 0.82 0.00 0.00 0.00 179.25 180.69 3i7c h ILE 363 N 0.64 1.06 -0.38 0.00 2.04 -0.66 -1.89 117.51 118.32 3i7c h ILE 363 Ca 0.06 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 3i7c h ILE 363 Cb 0.93 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3i7c h ILE 363 CO 0.09 0.06 -0.23 -0.26 0.00 0.00 0.00 178.15 177.81 3i7c h PHE 364 N 0.20 0.87 -0.71 1.37 0.04 -1.24 -3.01 116.94 114.46 3i7c h PHE 364 Ca 0.06 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.66 3i7c h PHE 364 Cb 0.01 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 37.91 3i7c h PHE 364 CO -0.06 0.92 0.44 1.25 -0.60 0.00 0.00 178.31 180.27 3i7c h HIS 365 N 0.67 0.83 0.00 -0.55 2.76 -1.02 -0.21 115.15 117.62 3i7c h HIS 365 Ca 0.09 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3i7c h HIS 365 Cb 0.74 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.42 3i7c h HIS 365 CO 0.04 0.47 0.00 1.17 -1.30 0.00 0.00 177.93 178.31 3i7c n LYS 366 N -4.66 0.00 -1.88 5.26 4.81 -0.72 -4.66 118.16 116.31 3i7c n LYS 366 Ca 0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.47 3i7c n LYS 366 Cb 0.09 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 34.03 3i7c n LYS 366 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3i7c n ASP 368 N 0.62 -2.99 -0.10 3.14 4.64 -0.09 -5.06 116.55 116.70 3i7c n ASP 368 Ca 0.00 0.12 -0.08 0.00 -1.38 0.00 0.00 54.79 53.45 3i7c n ASP 368 Cb 0.00 -0.75 -0.00 0.00 -1.04 0.00 0.00 41.12 39.33 3i7c n ASP 368 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3i7c h LYS 369 N 1.93 0.42 0.00 -0.67 1.79 -1.90 -2.92 116.57 115.22 3i7c h LYS 369 Ca -0.07 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 3i7c h LYS 369 Cb 0.52 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3i7c h LYS 369 CO 0.03 0.28 -0.38 -0.91 -1.08 0.00 0.00 179.45 177.39 3i7c h ASN 370 N 0.43 0.00 -0.31 0.86 2.35 -1.96 -3.47 115.58 113.49 3i7c h ASN 370 Ca 0.13 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3i7c h ASN 370 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3i7c h ASN 370 CO -0.05 0.38 -0.06 0.61 -1.65 0.00 0.00 177.43 176.65 3i7c n GLY 371 N 0.52 0.35 0.02 2.83 0.00 -1.10 -4.95 105.19 102.86 3i7c n GLY 371 Ca 0.01 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.32 3i7c n GLY 371 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7c n ASP 372 N 1.52 0.58 0.00 1.61 3.85 -1.26 -4.96 116.55 117.88 3i7c n ASP 372 Ca -0.03 -0.16 0.00 0.00 -0.71 0.00 0.00 54.79 53.89 3i7c n ASP 372 Cb 0.41 0.32 0.00 0.00 -1.35 0.00 0.00 41.12 40.50 3i7c n ASP 372 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i7c n GLY 373 N 1.44 0.57 3.27 6.12 0.00 -1.26 -5.04 105.19 110.28 3i7c n GLY 373 Ca 0.04 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3i7c n GLY 373 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7c s GLN 374 N -0.54 3.21 0.09 1.61 1.11 -1.26 -2.15 119.66 121.73 3i7c s GLN 374 Ca 0.00 -0.75 0.04 0.00 0.01 0.00 0.00 55.36 54.66 3i7c s GLN 374 Cb 0.00 -2.61 -0.03 0.00 -1.01 0.00 0.00 33.01 29.36 3i7c s GLN 374 CO 0.00 0.03 -0.12 -0.51 0.01 0.00 0.00 175.29 174.70 3i7c s LEU 375 N 0.78 2.35 0.68 2.90 1.43 0.23 -4.86 118.68 122.19 3i7c s LEU 375 Ca -0.06 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 3i7c s LEU 375 Cb -0.15 -0.41 0.07 0.00 0.03 0.00 0.00 46.19 45.73 3i7c s LEU 375 CO 0.00 -0.17 0.96 1.51 0.23 0.00 0.00 176.35 178.88 3i7c s ASP 376 N -2.15 4.75 0.21 2.29 1.47 -1.26 0.75 116.67 122.74 3i7c s ASP 376 Ca 0.02 0.17 -0.09 0.00 1.18 0.00 0.00 52.55 53.83 3i7c s ASP 376 Cb -0.06 -0.80 0.31 0.00 -0.34 0.00 0.00 42.92 42.03 3i7c s ASP 376 CO 0.01 -1.59 1.74 -0.09 0.68 0.00 0.00 175.17 175.92 3i7c h ARG 377 N -0.46 0.39 -0.62 2.11 2.43 -1.76 -0.71 114.38 115.75 3i7c h ARG 377 Ca -0.42 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3i7c h ARG 377 Cb 1.30 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 3i7c h ARG 377 CO 0.53 0.26 0.24 0.00 -1.51 0.00 0.00 179.97 179.48 3i7c h ALA 378 N 1.45 1.25 -0.33 2.80 0.00 -1.94 -0.27 119.26 122.22 3i7c h ALA 378 Ca 0.33 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3i7c h ALA 378 Cb 0.43 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i7c h ALA 378 CO -0.33 0.55 -0.44 0.93 0.00 0.00 0.00 179.25 179.96 3i7c h GLU 379 N 0.90 0.88 -1.00 0.00 5.08 -1.80 -2.14 114.58 116.50 3i7c h GLU 379 Ca 0.21 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3i7c h GLU 379 Cb 0.19 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3i7c h GLU 379 CO -0.02 1.15 0.66 -0.07 -1.00 0.00 0.00 179.01 179.73 3i7c h LEU 380 N 0.67 1.10 -0.26 1.33 3.38 -0.53 -0.73 115.31 120.28 3i7c h LEU 380 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3i7c h LEU 380 Cb 1.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3i7c h LEU 380 CO 0.10 0.76 0.08 0.40 0.09 0.00 0.00 178.44 179.87 3i7c h ILE 381 N 1.28 1.20 -0.59 1.22 2.04 -0.92 -0.70 117.51 121.04 3i7c h ILE 381 Ca 0.39 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 3i7c h ILE 381 Cb -0.02 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3i7c h ILE 381 CO -0.12 0.21 0.04 -0.33 0.00 0.00 0.00 178.15 177.96 3i7c h GLU 382 N 0.26 0.99 -0.32 2.37 4.39 -1.09 0.13 114.58 121.30 3i7c h GLU 382 Ca 0.08 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 3i7c h GLU 382 Cb 0.25 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3i7c h GLU 382 CO -0.00 0.94 0.08 0.78 -1.16 0.00 0.00 179.01 179.65 3i7c h GLY 383 N 1.01 0.56 1.19 -3.84 0.00 -1.08 -1.69 103.07 99.23 3i7c h GLY 383 Ca 0.18 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3i7c h GLY 383 CO 0.02 0.33 -0.05 -1.82 0.00 0.00 0.00 176.54 175.02 3i7c h TYR 384 N 0.36 1.05 -0.19 5.60 3.20 -0.95 -2.54 116.97 123.50 3i7c h TYR 384 Ca 0.10 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.82 3i7c h TYR 384 Cb 0.30 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3i7c h TYR 384 CO 0.01 0.96 -0.06 0.87 -1.64 0.00 0.00 178.16 178.31 3i7c h LYS 385 N 0.87 -0.02 -0.12 1.82 1.57 -0.61 -2.75 116.57 117.33 3i7c h LYS 385 Ca 0.15 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3i7c h LYS 385 Cb 0.58 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 3i7c h LYS 385 CO 0.04 -0.02 -0.18 1.49 -0.57 0.00 0.00 179.45 180.21 3i7c h GLU 386 N -0.03 -0.22 0.00 3.15 4.81 -1.17 -1.66 114.58 119.46 3i7c h GLU 386 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3i7c h GLU 386 Cb 0.17 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3i7c h GLU 386 CO -0.21 -0.15 0.00 -0.11 -0.73 0.00 0.00 179.01 177.82 3i7c n LEU 387 N -5.32 0.00 -0.03 1.64 7.94 -0.97 -4.68 117.00 115.58 3i7c n LEU 387 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3i7c n LEU 387 Cb 0.23 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.18 3i7c n LEU 387 CO 0.21 0.00 0.00 -2.11 -1.11 0.00 0.00 177.39 174.38 3i7c n ARG 389 N 0.23 -1.17 0.00 1.96 1.85 -0.63 -4.52 116.66 114.38 3i7c n ARG 389 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i7c n ARG 389 Cb 0.00 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 3i7c n ARG 389 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3i7c n LYS 391 N -0.03 0.00 -2.28 2.89 4.76 -1.26 -5.03 118.16 117.21 3i7c n LYS 391 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 3i7c n LYS 391 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 3i7c n LYS 391 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i7c n GLY 392 N 0.00 -0.24 0.02 0.72 0.00 -1.26 -4.90 105.19 99.53 3i7c n GLY 392 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3i7c n GLY 392 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i7c n GLN 393 N -2.61 0.09 -3.81 1.61 1.13 -1.26 -4.61 117.38 107.93 3i7c n GLN 393 Ca -0.20 0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.58 3i7c n GLN 393 Cb 0.65 -1.55 -0.15 0.00 0.11 0.00 0.00 30.24 29.30 3i7c n GLN 393 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3i7c s ASP 394 N -3.35 4.21 0.56 1.08 3.68 -1.26 -4.98 116.67 116.61 3i7c s ASP 394 Ca 0.09 -1.87 0.29 0.00 2.13 0.00 0.00 52.55 53.19 3i7c s ASP 394 Cb 0.16 -1.09 1.65 0.00 -1.45 0.00 0.00 42.92 42.19 3i7c s ASP 394 CO 0.73 -0.39 2.16 0.00 0.13 0.00 0.00 175.17 177.80 3i7c h ALA 395 N 7.84 1.36 0.00 3.66 0.00 -1.97 -3.36 119.26 126.79 3i7c h ALA 395 Ca -0.10 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3i7c h ALA 395 Cb 1.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3i7c h ALA 395 CO 0.49 0.08 -0.08 -1.13 0.00 0.00 0.00 179.25 178.61 3i7c n SER 396 N -3.69 3.63 0.00 0.00 3.41 -1.26 -4.78 113.62 110.94 3i7c n SER 396 Ca -0.02 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 3i7c n SER 396 Cb 0.17 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 3i7c n SER 396 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i7c n LEU 398 N 2.37 0.00 -4.73 1.04 4.77 -1.26 -4.84 117.00 114.36 3i7c n LEU 398 Ca 0.21 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 3i7c n LEU 398 Cb 0.55 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3i7c n LEU 398 CO 0.12 0.00 0.73 -0.62 -1.33 0.00 0.00 177.39 176.28 3i7c s ASP 399 N 0.23 7.37 0.32 -1.43 -1.08 -1.26 -4.96 116.67 115.86 3i7c s ASP 399 Ca 0.00 1.87 0.02 0.00 -0.52 0.00 0.00 52.55 53.92 3i7c s ASP 399 Cb 0.00 -2.59 0.58 0.00 -1.46 0.00 0.00 42.92 39.46 3i7c s ASP 399 CO 0.00 -0.18 1.92 0.00 0.52 0.00 0.00 175.17 177.43 3i7c h ALA 400 N 5.80 1.56 -0.54 3.66 0.00 -2.00 -1.74 119.26 126.00 3i7c h ALA 400 Ca -0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3i7c h ALA 400 Cb 1.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3i7c h ALA 400 CO 0.74 0.31 0.21 0.66 0.00 0.00 0.00 179.25 181.16 3i7c h SER 401 N 0.96 0.71 -0.01 0.00 4.64 -1.99 -1.66 113.55 116.19 3i7c h SER 401 Ca 0.37 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.47 3i7c h SER 401 Cb 0.22 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3i7c h SER 401 CO -0.14 0.64 -0.43 0.00 -0.87 0.00 0.00 176.83 176.03 3i7c h ALA 402 N 1.47 0.84 -0.33 5.18 0.00 -1.66 -1.61 119.26 123.14 3i7c h ALA 402 Ca 0.18 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 3i7c h ALA 402 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i7c h ALA 402 CO -0.02 0.65 -0.30 0.28 0.00 0.00 0.00 179.25 179.86 3i7c h VAL 403 N 0.44 1.29 -0.65 0.00 2.07 -1.19 -0.44 116.25 117.76 3i7c h VAL 403 Ca 0.03 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.17 3i7c h VAL 403 Cb 0.93 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 3i7c h VAL 403 CO 0.08 0.48 0.31 -0.33 0.02 0.00 0.00 177.57 178.13 3i7c h GLU 404 N 0.56 0.53 -0.44 1.57 5.08 -1.21 -0.26 114.58 120.41 3i7c h GLU 404 Ca 0.06 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3i7c h GLU 404 Cb 0.87 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3i7c h GLU 404 CO 0.08 0.35 0.09 1.25 -1.00 0.00 0.00 179.01 179.77 3i7c h HIS 405 N 0.55 0.77 -0.72 4.33 2.76 -1.10 -2.26 115.15 119.47 3i7c h HIS 405 Ca 0.32 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 3i7c h HIS 405 Cb 0.32 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 3i7c h HIS 405 CO -0.12 0.72 0.25 1.49 -1.30 0.00 0.00 177.93 178.97 3i7c h GLU 406 N 0.59 1.10 -0.63 5.26 4.57 -0.59 -1.08 114.58 123.80 3i7c h GLU 406 Ca 0.14 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3i7c h GLU 406 Cb 0.36 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3i7c h GLU 406 CO 0.01 0.93 0.31 0.28 -1.18 0.00 0.00 179.01 179.35 3i7c h VAL 407 N 1.05 1.22 -0.28 0.32 2.07 -0.98 -1.39 116.25 118.26 3i7c h VAL 407 Ca 0.23 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3i7c h VAL 407 Cb 0.27 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3i7c h VAL 407 CO -0.01 0.25 -0.05 0.44 0.02 0.00 0.00 177.57 178.21 3i7c h ASP 408 N 0.87 0.41 -0.39 0.57 3.32 -1.03 0.25 116.42 120.42 3i7c h ASP 408 Ca 0.22 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3i7c h ASP 408 Cb 0.11 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3i7c h ASP 408 CO -0.03 0.52 0.00 1.56 -1.72 0.00 0.00 179.24 179.57 3i7c h GLN 409 N 0.41 0.69 -0.17 3.56 1.08 -0.83 0.79 115.11 120.65 3i7c h GLN 409 Ca 0.09 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3i7c h GLN 409 Cb 0.36 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3i7c h GLN 409 CO 0.02 0.78 0.03 0.28 -0.95 0.00 0.00 178.83 178.99 3i7c h VAL 410 N 0.51 1.22 -0.78 -0.54 2.07 -0.75 -1.00 116.25 116.98 3i7c h VAL 410 Ca 0.11 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3i7c h VAL 410 Cb 0.47 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3i7c h VAL 410 CO 0.02 0.21 0.47 -0.07 0.02 0.00 0.00 177.57 178.21 3i7c h LEU 411 N 0.06 0.95 -1.28 2.57 3.38 -0.51 -2.47 115.31 118.02 3i7c h LEU 411 Ca 0.05 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3i7c h LEU 411 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3i7c h LEU 411 CO 0.00 0.74 -0.24 0.44 0.09 0.00 0.00 178.44 179.47 3i7c h ASP 412 N 1.08 0.18 -0.33 -0.43 5.19 -0.70 -2.64 116.42 118.77 3i7c h ASP 412 Ca 0.28 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 3i7c h ASP 412 Cb -0.03 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 3i7c h ASP 412 CO -0.05 0.43 0.05 0.00 -3.12 0.00 0.00 179.24 176.55 3i7c h ALA 413 N 1.59 0.43 -0.60 3.45 0.00 -0.74 -3.29 119.26 120.11 3i7c h ALA 413 Ca 0.03 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3i7c h ALA 413 Cb 0.52 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 3i7c h ALA 413 CO 0.04 0.13 0.21 1.55 0.00 0.00 0.00 179.25 181.18 3i7c n VAL 414 N -4.60 2.45 -2.48 0.00 3.14 -0.99 -4.91 118.33 110.94 3i7c n VAL 414 Ca -0.02 -1.29 -0.14 0.00 -2.96 0.00 0.00 64.34 59.93 3i7c n VAL 414 Cb 0.22 -0.42 -0.01 0.00 -1.06 0.00 0.00 33.84 32.57 3i7c n VAL 414 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3i7c n ASP 415 N -0.03 -4.23 -4.82 6.55 8.00 -1.16 -4.95 116.55 115.90 3i7c n ASP 415 Ca 0.33 0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.59 3i7c n ASP 415 Cb 1.19 -3.57 -0.06 0.00 -0.02 0.00 0.00 41.12 38.65 3i7c n ASP 415 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3i7c s PHE 416 N -2.70 3.62 0.07 1.24 0.08 -1.01 -5.06 117.98 114.22 3i7c s PHE 416 Ca 0.02 0.75 -0.31 0.00 0.12 0.00 0.00 56.93 57.51 3i7c s PHE 416 Cb -0.01 -2.19 -0.06 0.00 -0.57 0.00 0.00 43.02 40.19 3i7c s PHE 416 CO 0.02 0.58 1.19 0.34 -0.10 0.00 0.00 175.22 177.25 3i7c s ASP 417 N -0.69 7.09 0.46 1.36 -1.08 -1.26 -4.56 116.67 117.99 3i7c s ASP 417 Ca 0.19 2.02 0.24 0.00 -0.52 0.00 0.00 52.55 54.49 3i7c s ASP 417 Cb -0.14 -2.58 1.11 0.00 -1.46 0.00 0.00 42.92 39.84 3i7c s ASP 417 CO 0.08 -0.45 1.92 0.11 0.52 0.00 0.00 175.17 177.34 3i7c h LYS 418 N 6.67 0.00 -0.00 4.34 1.57 -1.97 -3.26 116.57 123.92 3i7c h LYS 418 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3i7c h LYS 418 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3i7c h LYS 418 CO 0.80 0.21 -0.57 0.09 -0.57 0.00 0.00 179.45 179.41 3i7c n ASN 419 N -3.54 0.73 -1.92 0.86 3.02 -1.26 -4.38 115.26 108.77 3i7c n ASN 419 Ca -0.01 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 3i7c n ASN 419 Cb 0.36 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 3i7c n ASN 419 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7c n GLY 420 N 1.48 3.16 3.81 7.41 0.00 -1.23 -5.00 105.19 114.81 3i7c n GLY 420 Ca 0.06 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 3i7c n GLY 420 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i7c s TYR 421 N 0.05 3.73 -0.00 1.61 1.51 -1.26 -4.15 117.35 118.83 3i7c s TYR 421 Ca 0.00 1.37 0.06 0.00 -1.01 0.00 0.00 57.07 57.49 3i7c s TYR 421 Cb 0.00 -2.59 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 3i7c s TYR 421 CO 0.00 0.44 -0.20 0.42 -1.11 0.00 0.00 175.55 175.10 3i7c s ILE 422 N -1.35 1.56 -0.47 2.71 1.01 0.23 -4.89 121.20 120.00 3i7c s ILE 422 Ca 0.38 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.86 3i7c s ILE 422 Cb -0.18 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3i7c s ILE 422 CO 0.21 0.39 1.78 -0.70 0.00 0.00 0.00 174.94 176.63 3i7c s GLU 423 N -0.58 3.04 0.33 2.79 2.56 -1.26 -0.60 118.70 124.98 3i7c s GLU 423 Ca 0.07 1.00 0.06 0.00 0.00 0.00 0.00 54.97 56.10 3i7c s GLU 423 Cb -0.08 -4.26 0.57 0.00 2.00 0.00 0.00 34.13 32.36 3i7c s GLU 423 CO -0.00 -2.22 1.80 0.10 -0.56 0.00 0.00 175.26 174.38 3i7c h TYR 424 N 13.56 0.39 -0.42 5.30 -0.00 -1.76 -2.41 116.97 131.63 3i7c h TYR 424 Ca -0.29 -0.07 0.04 0.00 0.00 0.00 0.00 58.73 58.41 3i7c h TYR 424 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 37.76 3i7c h TYR 424 CO 1.00 0.55 0.28 0.66 -0.00 0.00 0.00 178.16 180.64 3i7c h SER 425 N 0.32 0.36 0.13 0.10 4.64 -1.90 0.37 113.55 117.57 3i7c h SER 425 Ca 0.06 -0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.12 3i7c h SER 425 Cb 0.55 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3i7c h SER 425 CO 0.04 0.25 -1.02 -0.33 -0.87 0.00 0.00 176.83 174.90 3i7c h GLU 426 N 0.42 0.59 -0.78 4.77 5.08 -1.83 -2.81 114.58 120.02 3i7c h GLU 426 Ca 0.17 -0.64 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 3i7c h GLU 426 Cb 0.17 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3i7c h GLU 426 CO -0.04 1.25 0.47 0.35 -1.00 0.00 0.00 179.01 180.04 3i7c h PHE 427 N 0.33 1.04 -0.35 4.33 3.57 -1.24 -1.68 116.94 122.94 3i7c h PHE 427 Ca -0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3i7c h PHE 427 Cb 1.66 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 3i7c h PHE 427 CO 0.09 0.70 0.22 0.28 -2.23 0.00 0.00 178.31 177.37 3i7c h VAL 428 N 1.08 1.11 0.17 1.41 2.07 -0.97 -0.17 116.25 120.95 3i7c h VAL 428 Ca 0.28 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 3i7c h VAL 428 Cb -0.03 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3i7c h VAL 428 CO -0.05 0.10 -0.12 0.74 0.02 0.00 0.00 177.57 178.27 3i7c h THR 429 N 0.46 0.75 -0.27 2.57 2.02 -1.29 -3.07 112.91 114.07 3i7c h THR 429 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 3i7c h THR 429 Cb -0.02 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3i7c h THR 429 CO -0.03 0.00 0.13 0.58 0.37 0.00 0.00 175.52 176.57 3i7c h VAL 430 N -0.29 1.15 0.00 3.16 2.07 -1.23 0.47 116.25 121.59 3i7c h VAL 430 Ca -0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3i7c h VAL 430 Cb 0.25 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3i7c h VAL 430 CO 0.01 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.75 3i7c n ALA 431 N -2.24 1.25 0.00 1.67 0.00 -0.08 -0.35 120.51 120.76 3i7c n ALA 431 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i7c n ALA 431 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3i7c n ALA 431 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i7c n ASP 433 N 0.04 0.00 -0.11 0.00 10.43 0.17 -3.20 116.55 123.88 3i7c n ASP 433 Ca 0.00 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.31 3i7c n ASP 433 Cb 0.00 0.00 0.01 0.00 1.84 0.00 0.00 41.12 42.97 3i7c n ASP 433 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 3i7c h ARG 434 N 0.00 -0.07 -0.40 -1.24 3.08 -0.90 0.13 114.38 114.98 3i7c h ARG 434 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3i7c h ARG 434 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3i7c h ARG 434 CO 0.00 -0.05 0.09 0.87 -1.07 0.00 0.00 179.97 179.81 3i7c h LYS 435 N -0.07 0.65 -0.58 0.04 1.57 -1.79 -1.55 116.57 114.83 3i7c h LYS 435 Ca 0.19 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3i7c h LYS 435 Cb 0.36 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 3i7c h LYS 435 CO -0.43 0.67 0.36 1.15 -0.57 0.00 0.00 179.45 180.63 3i7c h THR 436 N 0.51 1.09 -0.26 -0.16 2.02 -1.80 -0.31 112.91 113.99 3i7c h THR 436 Ca 0.12 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 3i7c h THR 436 Cb 0.32 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3i7c h THR 436 CO 0.00 0.13 0.16 0.25 0.37 0.00 0.00 175.52 176.43 3i7c h LEU 437 N 0.72 0.31 -0.96 2.58 5.85 -0.60 -1.80 115.31 121.41 3i7c h LEU 437 Ca 0.23 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3i7c h LEU 437 Cb -0.01 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3i7c h LEU 437 CO -0.09 0.27 0.63 -0.07 -0.34 0.00 0.00 178.44 178.84 3i7c h LEU 438 N 0.33 1.05 -0.37 2.25 3.38 -0.83 -0.46 115.31 120.66 3i7c h LEU 438 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3i7c h LEU 438 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3i7c h LEU 438 CO -0.02 0.72 0.11 0.28 0.09 0.00 0.00 178.44 179.63 3i7c h SER 439 N 1.22 0.55 -0.14 -0.43 0.02 -0.89 -1.95 113.55 111.93 3i7c h SER 439 Ca 0.38 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3i7c h SER 439 Cb -0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3i7c h SER 439 CO -0.12 0.61 0.05 -0.09 -1.14 0.00 0.00 176.83 176.14 3i7c h ARG 440 N 0.46 0.21 -0.89 3.45 2.43 -0.67 -1.78 114.38 117.59 3i7c h ARG 440 Ca 0.12 -0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.38 3i7c h ARG 440 Cb 0.26 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 3i7c h ARG 440 CO -0.00 0.33 0.57 0.93 -1.51 0.00 0.00 179.97 180.29 3i7c h GLU 441 N 0.05 0.71 -0.46 0.20 5.08 -1.12 -0.93 114.58 118.11 3i7c h GLU 441 Ca 0.05 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3i7c h GLU 441 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3i7c h GLU 441 CO -0.00 0.47 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.17 3i7c h ARG 442 N 0.73 0.96 -0.34 2.33 2.43 -0.86 -2.14 114.38 117.49 3i7c h ARG 442 Ca 0.44 -0.42 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3i7c h ARG 442 Cb 0.66 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3i7c h ARG 442 CO -0.20 1.09 0.06 1.25 -1.51 0.00 0.00 179.97 180.65 3i7c h LEU 443 N 0.81 0.54 -0.15 3.80 5.85 -0.71 -2.99 115.31 122.45 3i7c h LEU 443 Ca 0.10 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3i7c h LEU 443 Cb 0.79 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3i7c h LEU 443 CO 0.07 0.66 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.68 3i7c h GLU 444 N 0.40 -0.05 -1.00 1.25 4.81 -1.09 0.30 114.58 119.21 3i7c h GLU 444 Ca 0.10 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.49 3i7c h GLU 444 Cb 0.35 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.65 3i7c h GLU 444 CO 0.01 -0.03 0.62 0.00 -0.73 0.00 0.00 179.01 178.88 3i7c h ARG 445 N -0.05 0.85 -0.07 1.92 3.08 -1.36 0.55 114.38 119.30 3i7c h ARG 445 Ca 0.08 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3i7c h ARG 445 Cb 0.17 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3i7c h ARG 445 CO -0.19 0.56 -0.65 0.00 -1.07 0.00 0.00 179.97 178.63 3i7c h ALA 446 N 1.59 0.76 0.10 0.04 0.00 -1.16 -3.14 119.26 117.45 3i7c h ALA 446 Ca 0.54 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i7c h ALA 446 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i7c h ALA 446 CO -0.32 0.75 -0.05 0.35 0.00 0.00 0.00 179.25 179.99 3i7c h PHE 447 N 0.20 -0.12 0.00 0.00 3.57 0.92 -1.98 116.94 119.54 3i7c h PHE 447 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3i7c h PHE 447 Cb 1.18 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.96 3i7c h PHE 447 CO 0.03 0.02 0.00 0.54 -2.23 0.00 0.00 178.31 176.66 3i7c n ARG 448 N -5.10 0.00 0.00 1.11 5.12 -0.01 -1.77 116.66 116.01 3i7c n ARG 448 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3i7c n ARG 448 Cb 0.12 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 3i7c n ARG 448 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3i7c n PHE 450 N 0.87 0.00 -2.13 -1.55 7.35 -0.74 -4.45 117.46 116.81 3i7c n PHE 450 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3i7c n PHE 450 Cb 0.00 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 39.83 3i7c n PHE 450 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3i7c n ASP 451 N 0.00 4.36 0.21 -2.13 2.03 -0.73 -4.77 116.55 115.51 3i7c n ASP 451 Ca 0.00 -2.87 0.04 0.00 0.52 0.00 0.00 54.79 52.48 3i7c n ASP 451 Cb 0.00 -1.70 0.44 0.00 -0.72 0.00 0.00 41.12 39.14 3i7c n ASP 451 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 3i7c h SER 452 N 6.83 0.00 -0.25 1.67 0.87 -1.90 -1.99 113.55 118.78 3i7c h SER 452 Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 3i7c h SER 452 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3i7c h SER 452 CO 1.68 0.28 0.00 0.47 -0.53 0.00 0.00 176.83 178.72 3i7c n ASP 453 N -4.17 1.64 -4.01 6.23 10.43 -1.26 -4.94 116.55 120.46 3i7c n ASP 453 Ca -0.02 -1.86 -0.31 0.00 2.57 0.00 0.00 54.79 55.17 3i7c n ASP 453 Cb 0.33 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 43.13 3i7c n ASP 453 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3i7c n ASN 454 N 0.35 -3.46 0.16 -2.24 4.13 -0.75 -4.87 115.26 108.58 3i7c n ASN 454 Ca 0.13 -0.89 0.03 0.00 1.68 0.00 0.00 54.58 55.53 3i7c n ASN 454 Cb 0.29 -3.40 0.17 0.00 -1.54 0.00 0.00 39.78 35.29 3i7c n ASN 454 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3i7c h SER 455 N -1.84 0.00 0.00 6.41 4.64 -1.92 -3.47 113.55 117.37 3i7c h SER 455 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 3i7c h SER 455 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3i7c h SER 455 CO 0.70 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 3i7c n GLY 456 N 0.75 0.98 3.23 -0.77 0.00 -1.26 -5.03 105.19 103.09 3i7c n GLY 456 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3i7c n GLY 456 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7c s LYS 457 N -0.25 1.00 -0.15 1.61 -0.14 -1.26 -4.00 119.74 116.54 3i7c s LYS 457 Ca 0.00 -1.23 -0.01 0.00 -1.36 0.00 0.00 55.97 53.37 3i7c s LYS 457 Cb 0.00 -0.84 -0.01 0.00 -1.68 0.00 0.00 37.83 35.30 3i7c s LYS 457 CO 0.00 0.16 -0.13 0.42 -0.76 0.00 0.00 175.35 175.04 3i7c s ILE 458 N -2.21 2.95 0.84 2.17 1.01 0.83 -4.92 121.20 121.87 3i7c s ILE 458 Ca 0.09 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 3i7c s ILE 458 Cb -0.04 -2.26 0.09 0.00 0.01 0.00 0.00 42.46 40.26 3i7c s ILE 458 CO 0.03 0.51 1.09 -0.94 0.00 0.00 0.00 174.94 175.62 3i7c s SER 459 N 0.71 4.05 0.37 3.58 1.04 -1.26 -0.96 113.70 121.23 3i7c s SER 459 Ca -0.06 1.42 0.07 0.00 0.48 0.00 0.00 55.95 57.86 3i7c s SER 459 Cb -0.15 -2.13 0.73 0.00 0.10 0.00 0.00 66.02 64.57 3i7c s SER 459 CO 0.02 -2.27 1.94 0.28 0.98 0.00 0.00 173.24 174.19 3i7c h SER 460 N -1.29 0.39 -0.57 7.02 0.02 -1.25 -0.64 113.55 117.23 3i7c h SER 460 Ca -0.48 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.33 3i7c h SER 460 Cb 1.27 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 3i7c h SER 460 CO 0.57 0.44 0.05 0.74 -1.14 0.00 0.00 176.83 177.49 3i7c h THR 461 N 0.42 1.26 -0.46 -2.27 2.02 -1.93 -2.20 112.91 109.75 3i7c h THR 461 Ca 0.10 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 3i7c h THR 461 Cb 0.24 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3i7c h THR 461 CO 0.00 0.38 -0.09 -0.33 0.37 0.00 0.00 175.52 175.85 3i7c h GLU 462 N 0.87 0.88 -0.55 6.66 5.08 -1.77 -2.69 114.58 123.05 3i7c h GLU 462 Ca 0.17 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3i7c h GLU 462 Cb 0.48 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3i7c h GLU 462 CO 0.02 0.97 0.29 -0.07 -1.00 0.00 0.00 179.01 179.22 3i7c h LEU 463 N 0.72 0.43 -0.52 1.33 3.38 -1.05 -0.07 115.31 119.54 3i7c h LEU 463 Ca 0.12 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3i7c h LEU 463 Cb 0.64 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3i7c h LEU 463 CO 0.04 0.29 0.17 0.00 0.09 0.00 0.00 178.44 179.04 3i7c h ALA 464 N 1.29 0.63 -0.30 1.53 0.00 -1.22 0.28 119.26 121.46 3i7c h ALA 464 Ca 0.24 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3i7c h ALA 464 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i7c h ALA 464 CO -0.16 -0.23 0.09 1.15 0.00 0.00 0.00 179.25 180.10 3i7c h THR 465 N 0.34 1.21 0.07 0.00 2.02 -1.11 -0.71 112.91 114.73 3i7c h THR 465 Ca 0.25 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3i7c h THR 465 Cb 0.29 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3i7c h THR 465 CO -0.27 0.22 -0.04 0.40 0.37 0.00 0.00 175.52 176.21 3i7c h ILE 466 N 0.32 0.97 -0.03 3.11 2.04 -0.39 -1.22 117.51 122.32 3i7c h ILE 466 Ca 0.10 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 3i7c h ILE 466 Cb 0.25 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3i7c h ILE 466 CO -0.00 0.04 -0.43 -0.26 0.00 0.00 0.00 178.15 177.50 3i7c h PHE 467 N -0.17 0.07 -0.29 1.37 0.04 -0.51 0.02 116.94 117.48 3i7c h PHE 467 Ca -0.01 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 3i7c h PHE 467 Cb 0.14 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3i7c h PHE 467 CO -0.05 0.49 0.16 0.78 -0.60 0.00 0.00 178.31 179.08 3i7c h GLY 468 N 1.30 0.42 1.35 -1.45 0.00 -0.99 0.16 103.07 103.86 3i7c h GLY 468 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3i7c h GLY 468 CO 0.06 0.18 0.19 -2.08 0.00 0.00 0.00 176.54 174.89 3i7c h VAL 469 N 0.35 1.21 0.00 4.60 2.07 -0.85 -1.84 116.25 121.79 3i7c h VAL 469 Ca 0.10 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3i7c h VAL 469 Cb 0.05 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3i7c h VAL 469 CO -0.02 0.28 0.00 -1.20 0.02 0.00 0.00 177.57 176.65 3i7c n SER 470 N -4.31 0.00 -2.26 0.57 7.64 -0.04 -4.87 113.62 110.35 3i7c n SER 470 Ca 0.04 -0.62 -0.15 0.00 1.01 0.00 0.00 58.87 59.15 3i7c n SER 470 Cb 0.19 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 3i7c n SER 470 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3i7c n ASP 471 N -1.12 -4.48 -4.68 6.43 2.03 0.37 -4.95 116.55 110.15 3i7c n ASP 471 Ca 0.20 0.17 -0.43 0.00 0.52 0.00 0.00 54.79 55.25 3i7c n ASP 471 Cb 0.17 -3.83 -0.02 0.00 -0.72 0.00 0.00 41.12 36.72 3i7c n ASP 471 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3i7c s VAL 472 N -2.68 4.65 0.20 5.18 1.01 -0.06 -4.98 120.40 123.72 3i7c s VAL 472 Ca 0.00 1.95 -0.31 0.00 0.00 0.00 0.00 61.98 63.62 3i7c s VAL 472 Cb 0.00 -4.25 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 3i7c s VAL 472 CO 0.00 -0.05 1.00 -0.67 0.00 0.00 0.00 175.10 175.38 3i7c n ASP 473 N 5.43 0.77 -0.04 3.32 2.03 -1.26 -4.52 116.55 122.29 3i7c n ASP 473 Ca 0.10 1.15 -0.11 0.00 0.52 0.00 0.00 54.79 56.45 3i7c n ASP 473 Cb 0.47 -1.17 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 3i7c n ASP 473 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 3i7c h SER 474 N 2.54 0.20 -0.24 1.67 0.87 -1.94 -1.97 113.55 114.69 3i7c h SER 474 Ca -0.40 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 59.97 3i7c h SER 474 Cb 1.37 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 3i7c h SER 474 CO 0.65 0.34 0.14 -0.08 -0.53 0.00 0.00 176.83 177.35 3i7c h GLU 475 N 0.06 0.34 -0.00 2.24 4.81 -1.99 -1.57 114.58 118.47 3i7c h GLU 475 Ca 0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3i7c h GLU 475 Cb 0.21 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3i7c h GLU 475 CO -0.00 0.25 -0.00 1.15 -0.73 0.00 0.00 179.01 179.67 3i7c h THR 476 N 0.35 1.44 -0.29 0.32 2.02 -1.81 -1.23 112.91 113.71 3i7c h THR 476 Ca 0.09 -1.31 -0.17 0.00 0.77 0.00 0.00 66.41 65.79 3i7c h THR 476 Cb 0.00 2.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3i7c h THR 476 CO -0.02 0.34 -0.50 4.11 0.37 0.00 0.00 175.52 179.82 3i7c h TRP 477 N -0.55 1.00 -0.78 3.16 5.08 -1.33 -1.08 115.95 121.45 3i7c h TRP 477 Ca 0.00 -0.34 0.07 0.00 1.08 0.00 0.00 58.89 59.70 3i7c h TRP 477 Cb 0.56 -0.19 -0.06 0.00 -3.00 0.00 0.00 29.16 26.46 3i7c h TRP 477 CO 0.12 1.14 0.46 0.87 -1.28 0.00 0.00 178.44 179.75 3i7c h LYS 478 N 0.63 0.79 -0.40 0.12 1.57 -1.33 0.81 116.57 118.76 3i7c h LYS 478 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3i7c h LYS 478 Cb 1.09 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3i7c h LYS 478 CO 0.11 0.52 0.22 1.03 -0.57 0.00 0.00 179.45 180.77 3i7c h SER 479 N 0.81 0.50 -0.60 0.86 0.87 -1.03 -0.21 113.55 114.75 3i7c h SER 479 Ca 0.35 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 3i7c h SER 479 Cb 0.23 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3i7c h SER 479 CO -0.20 0.44 0.05 0.58 -0.53 0.00 0.00 176.83 177.17 3i7c h VAL 480 N 0.52 1.26 -0.70 2.23 2.07 -0.20 -2.50 116.25 118.93 3i7c h VAL 480 Ca 0.14 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.59 3i7c h VAL 480 Cb 0.05 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3i7c h VAL 480 CO -0.02 0.40 0.46 0.25 0.02 0.00 0.00 177.57 178.67 3i7c h LEU 481 N 0.97 0.81 -0.85 2.57 5.85 0.90 -2.18 115.31 123.37 3i7c h LEU 481 Ca 0.18 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 3i7c h LEU 481 Cb 0.49 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3i7c h LEU 481 CO 0.02 0.59 -0.25 0.28 -0.34 0.00 0.00 178.44 178.74 3i7c h SER 482 N 0.95 0.57 0.34 1.25 0.02 -0.65 0.53 113.55 116.56 3i7c h SER 482 Ca 0.26 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 3i7c h SER 482 Cb -0.10 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3i7c h SER 482 CO -0.05 0.81 -0.52 -0.08 -1.14 0.00 0.00 176.83 175.85 3i7c h GLU 483 N 0.50 0.21 0.04 3.45 4.81 -1.09 -3.35 114.58 119.14 3i7c h GLU 483 Ca 0.07 -0.12 -0.28 0.00 -0.13 0.00 0.00 59.36 58.90 3i7c h GLU 483 Cb 0.70 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 3i7c h GLU 483 CO 0.05 0.68 -1.53 0.28 -0.73 0.00 0.00 179.01 177.76 3i7c n VAL 484 N -3.94 1.62 -2.79 0.32 0.31 -0.85 -4.51 118.33 108.49 3i7c n VAL 484 Ca -0.02 -0.25 -0.44 0.00 -0.01 0.00 0.00 64.34 63.63 3i7c n VAL 484 Cb 0.55 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3i7c n VAL 484 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i7c n ASP 485 N -4.11 5.12 0.00 4.52 -0.08 0.18 -4.81 116.55 117.37 3i7c n ASP 485 Ca -0.32 -2.97 0.11 0.00 -1.51 0.00 0.00 54.79 50.09 3i7c n ASP 485 Cb 0.81 -1.61 0.63 0.00 2.34 0.00 0.00 41.12 43.29 3i7c n ASP 485 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3i7c n LYS 486 N 6.18 0.95 -0.17 -0.67 3.00 -1.26 -3.67 118.16 122.52 3i7c n LYS 486 Ca 0.40 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.75 3i7c n LYS 486 Cb 0.43 -1.35 0.05 0.00 0.00 0.00 0.00 35.03 34.16 3i7c n LYS 486 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3i7c n ASN 487 N -0.85 1.23 -3.90 3.14 3.02 -1.26 -5.03 115.26 111.61 3i7c n ASN 487 Ca 0.16 -2.24 -0.29 0.00 -0.03 0.00 0.00 54.58 52.19 3i7c n ASN 487 Cb 0.07 -0.21 0.02 0.00 -0.61 0.00 0.00 39.78 39.05 3i7c n ASN 487 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i7c n ASN 488 N -0.61 -3.78 0.19 6.41 4.13 -1.24 -4.87 115.26 115.49 3i7c n ASN 488 Ca 0.06 -0.81 0.07 0.00 1.68 0.00 0.00 54.58 55.58 3i7c n ASN 488 Cb 0.56 -3.80 0.25 0.00 -1.54 0.00 0.00 39.78 35.25 3i7c n ASN 488 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3i7c h ASP 489 N -2.00 0.00 -0.75 6.41 3.32 -1.96 -3.47 116.42 117.97 3i7c h ASP 489 Ca -0.59 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.28 3i7c h ASP 489 Cb 1.37 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.88 3i7c h ASP 489 CO 0.66 0.31 -0.19 0.61 -1.72 0.00 0.00 179.24 178.90 3i7c n GLY 490 N 0.70 0.66 3.47 2.75 0.00 -1.26 -5.00 105.19 106.50 3i7c n GLY 490 Ca 0.01 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 3i7c n GLY 490 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i7c s GLU 491 N -3.41 1.17 -0.00 1.61 -1.05 -1.26 -0.64 118.70 115.12 3i7c s GLU 491 Ca 0.00 -0.13 0.03 0.00 -0.15 0.00 0.00 54.97 54.72 3i7c s GLU 491 Cb 0.00 0.54 -0.01 0.00 -0.44 0.00 0.00 34.13 34.23 3i7c s GLU 491 CO 0.00 -0.45 -0.10 0.14 0.95 0.00 0.00 175.26 175.80 3i7c s VAL 492 N -2.56 0.82 0.74 1.83 -7.23 -0.13 -4.94 120.40 108.92 3i7c s VAL 492 Ca -0.04 -0.50 -0.09 0.00 -1.81 0.00 0.00 61.98 59.53 3i7c s VAL 492 Cb -0.01 -0.70 0.16 0.00 0.56 0.00 0.00 36.38 36.40 3i7c s VAL 492 CO -0.02 0.19 1.01 -0.90 -0.31 0.00 0.00 175.10 175.06 3i7c n ASP 493 N 2.70 0.44 -0.02 4.85 5.68 -1.26 -0.12 116.55 128.83 3i7c n ASP 493 Ca -0.14 -1.59 -0.11 0.00 -0.50 0.00 0.00 54.79 52.45 3i7c n ASP 493 Cb 0.56 -0.74 -0.05 0.00 -1.14 0.00 0.00 41.12 39.75 3i7c n ASP 493 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3i7c h PHE 494 N -1.27 0.16 -0.75 2.11 3.57 -1.99 -0.75 116.94 118.02 3i7c h PHE 494 Ca -0.33 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.21 3i7c h PHE 494 Cb 0.99 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 3i7c h PHE 494 CO 0.00 0.17 0.46 0.22 -2.23 0.00 0.00 178.31 176.94 3i7c h ASP 495 N 0.10 0.75 -0.39 0.41 3.58 -1.95 0.45 116.42 119.36 3i7c h ASP 495 Ca 0.04 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 3i7c h ASP 495 Cb 0.07 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3i7c h ASP 495 CO -0.01 0.50 0.11 -0.33 -2.88 0.00 0.00 179.24 176.63 3i7c h GLU 496 N 0.89 0.62 -0.38 0.28 5.08 -1.88 0.64 114.58 119.83 3i7c h GLU 496 Ca 0.31 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 3i7c h GLU 496 Cb 0.08 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3i7c h GLU 496 CO -0.14 0.64 0.11 0.35 -1.00 0.00 0.00 179.01 178.97 3i7c h PHE 497 N 0.49 0.20 -0.77 4.33 3.57 -0.65 -2.41 116.94 121.70 3i7c h PHE 497 Ca 0.13 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3i7c h PHE 497 Cb 0.28 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3i7c h PHE 497 CO 0.01 0.07 0.50 0.37 -2.23 0.00 0.00 178.31 177.03 3i7c h GLN 498 N 0.26 0.95 -1.61 1.11 -0.00 -0.62 -1.94 115.11 113.25 3i7c h GLN 498 Ca 0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 3i7c h GLN 498 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 27.44 3i7c h GLN 498 CO -0.20 0.63 0.00 1.04 0.00 0.00 0.00 178.83 180.30 3i7c n GLN 499 N -4.60 0.06 0.00 1.69 6.02 0.19 -1.74 117.38 119.01 3i7c n GLN 499 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3i7c n GLN 499 Cb 0.07 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3i7c n GLN 499 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i7c n LEU 501 N 0.88 0.00 -0.16 1.08 4.77 -0.73 -1.43 117.00 121.41 3i7c n LEU 501 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3i7c n LEU 501 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3i7c n LEU 501 CO 0.00 0.00 0.93 -0.07 -1.33 0.00 0.00 177.39 176.92 3i7c h LEU 502 N 0.00 0.63 -1.76 2.23 3.38 -1.62 -2.41 115.31 115.75 3i7c h LEU 502 Ca 0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3i7c h LEU 502 Cb 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3i7c h LEU 502 CO 0.00 0.64 -0.14 0.11 0.09 0.00 0.00 178.44 179.13 3i7c h LYS 503 N 0.59 0.00 -0.07 1.13 1.79 -1.20 0.45 116.57 119.25 3i7c h LYS 503 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3i7c h LYS 503 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3i7c h LYS 503 CO -0.01 0.14 0.00 1.28 -1.08 0.00 0.00 179.45 179.78 3i7c n LEU 504 N -4.22 0.83 -2.53 2.94 4.77 -0.95 -3.44 117.00 114.41 3i7c n LEU 504 Ca -0.02 -0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 55.52 3i7c n LEU 504 Cb 0.22 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3i7c n LEU 504 CO 0.35 0.17 0.06 0.00 -1.33 0.00 0.00 177.39 176.63 3i7c n GLY 506 N -0.60 0.10 0.00 0.00 0.00 -1.18 -4.90 105.19 98.61 3i7c n GLY 506 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3i7c n GLY 506 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02