#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7m s PHE 71 N 0.00 -0.31 -0.23 1.43 0.08 0.07 -1.43 117.98 117.60 1i7m s PHE 71 Ca 0.00 0.62 -0.00 0.00 0.12 0.00 0.00 56.93 57.67 1i7m s PHE 71 Cb 0.00 0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.70 1i7m s PHE 71 CO 0.00 -0.15 -0.03 0.08 -0.10 0.00 0.00 175.22 175.02 1i7m s VAL 72 N 1.18 1.26 0.00 -0.44 1.01 -1.26 -0.15 120.40 121.99 1i7m s VAL 72 Ca -0.08 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1i7m s VAL 72 Cb -0.03 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1i7m s VAL 72 CO -0.12 -0.14 0.00 -1.54 0.00 0.00 0.00 175.10 173.30 1i7m n SER 73 N 4.77 0.63 -0.18 3.32 3.41 0.02 -5.01 113.62 120.59 1i7m n SER 73 Ca -0.11 -0.36 -0.07 0.00 -0.26 0.00 0.00 58.87 58.07 1i7m n SER 73 Cb 0.45 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1i7m n SER 73 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1i7m h LYS 74 N 0.00 0.73 0.00 4.33 3.64 -2.06 -3.36 116.57 119.85 1i7m h LYS 74 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1i7m h LYS 74 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1i7m h LYS 74 CO 0.00 0.55 0.00 2.89 -2.27 0.00 0.00 179.45 180.62 1i7m n ARG 75 N -4.65 0.00 -4.58 1.90 1.85 -1.26 -5.06 116.66 104.86 1i7m n ARG 75 Ca 0.03 -0.28 -0.34 0.00 -1.00 0.00 0.00 57.85 56.26 1i7m n ARG 75 Cb 0.07 -0.62 -0.12 0.00 -1.05 0.00 0.00 32.46 30.74 1i7m n ARG 75 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1i7m s ARG 76 N -0.06 3.00 -0.06 2.89 3.52 -1.26 -5.07 118.95 121.91 1i7m s ARG 76 Ca 0.00 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 1i7m s ARG 76 Cb 0.00 -2.67 0.01 0.00 -1.56 0.00 0.00 34.95 30.73 1i7m s ARG 76 CO 0.00 0.54 -0.15 0.12 -0.81 0.00 0.00 175.30 175.01 1i7m s PHE 77 N -0.48 1.62 -0.08 5.12 5.36 -1.26 -0.80 117.98 127.47 1i7m s PHE 77 Ca 0.07 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.50 1i7m s PHE 77 Cb -0.12 -1.14 0.01 0.00 -0.34 0.00 0.00 43.02 41.44 1i7m s PHE 77 CO 0.02 -0.25 -0.13 0.42 -1.46 0.00 0.00 175.22 173.82 1i7m s ILE 78 N 0.41 1.22 -0.06 3.12 1.01 0.78 -4.99 121.20 122.69 1i7m s ILE 78 Ca -0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1i7m s ILE 78 Cb -0.14 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.24 1i7m s ILE 78 CO 0.04 0.38 -0.00 -0.22 0.00 0.00 0.00 174.94 175.13 1i7m s LEU 79 N 0.76 0.77 -0.05 2.97 2.96 -1.26 -0.75 118.68 124.09 1i7m s LEU 79 Ca -0.13 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1i7m s LEU 79 Cb -0.16 -0.40 0.02 0.00 0.50 0.00 0.00 46.19 46.15 1i7m s LEU 79 CO 0.03 -0.16 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.09 1i7m s LYS 80 N 1.67 0.94 0.21 1.98 2.20 -0.52 -5.03 119.74 121.20 1i7m s LYS 80 Ca 0.00 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1i7m s LYS 80 Cb -0.13 -0.91 -0.05 0.00 -1.51 0.00 0.00 37.83 35.23 1i7m s LYS 80 CO -0.04 -0.07 0.07 0.95 -0.36 0.00 0.00 175.35 175.90 1i7m s THR 81 N 0.90 0.47 0.00 3.43 -4.23 -1.26 -1.46 115.64 113.49 1i7m s THR 81 Ca -0.11 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1i7m s THR 81 Cb -0.14 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1i7m s THR 81 CO 0.00 -0.17 0.00 0.00 -0.54 0.00 0.00 174.62 173.91 1i7m n GLY 83 N 0.28 2.02 0.37 0.00 0.00 -1.26 -3.57 105.19 103.02 1i7m n GLY 83 Ca 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.70 1i7m n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i7m n THR 84 N 0.00 0.00 -1.65 2.61 -2.24 -1.26 -4.98 114.28 106.76 1i7m n THR 84 Ca 0.00 -0.38 -0.48 0.00 -2.27 0.00 0.00 64.05 60.92 1i7m n THR 84 Cb 0.00 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1i7m n THR 84 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1i7m n THR 85 N 0.00 0.06 -2.74 4.28 5.66 -1.23 -4.66 114.28 115.65 1i7m n THR 85 Ca 0.06 -0.01 -0.43 0.00 -3.05 0.00 0.00 64.05 60.62 1i7m n THR 85 Cb 0.31 -1.34 0.00 0.00 -1.55 0.00 0.00 70.33 67.75 1i7m n THR 85 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1i7m n LEU 86 N 3.52 5.14 -0.21 1.09 4.77 -1.26 -4.84 117.00 125.21 1i7m n LEU 86 Ca 0.18 -4.20 -0.03 0.00 -0.03 0.00 0.00 56.01 51.93 1i7m n LEU 86 Cb 0.25 -1.68 0.08 0.00 -2.33 0.00 0.00 43.42 39.74 1i7m n LEU 86 CO 0.65 0.47 1.08 0.25 -1.33 0.00 0.00 177.39 178.50 1i7m h LEU 87 N 11.04 0.52 -1.82 2.23 6.46 -1.98 -2.62 115.31 129.14 1i7m h LEU 87 Ca 0.39 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1i7m h LEU 87 Cb 0.86 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1i7m h LEU 87 CO 1.37 0.34 0.00 -0.07 -0.62 0.00 0.00 178.44 179.46 1i7m h LEU 88 N 0.65 0.00 -0.02 2.25 3.38 -1.98 -1.82 115.31 117.77 1i7m h LEU 88 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1i7m h LEU 88 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1i7m h LEU 88 CO -0.16 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.66 1i7m n LYS 89 N -2.70 0.01 -0.05 1.13 5.02 -0.99 -2.38 118.16 118.21 1i7m n LYS 89 Ca -0.01 0.22 0.09 0.00 -2.02 0.00 0.00 58.31 56.59 1i7m n LYS 89 Cb 0.14 -1.51 0.11 0.00 -0.02 0.00 0.00 35.03 33.74 1i7m n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i7m n ALA 90 N -1.51 2.44 0.30 7.82 0.00 -0.68 -4.68 120.51 124.20 1i7m n ALA 90 Ca 0.04 -0.74 -0.16 0.00 0.00 0.00 0.00 53.44 52.58 1i7m n ALA 90 Cb 0.20 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 1i7m n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i7m h LEU 91 N 3.60 -0.64 -0.70 0.00 5.85 -1.59 -2.15 115.31 119.68 1i7m h LEU 91 Ca 0.00 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1i7m h LEU 91 Cb 0.79 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1i7m h LEU 91 CO 0.00 -0.35 0.46 0.58 -0.34 0.00 0.00 178.44 178.79 1i7m h VAL 92 N -0.92 1.15 0.00 1.05 2.07 -1.83 -1.69 116.25 116.07 1i7m h VAL 92 Ca -0.08 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1i7m h VAL 92 Cb 0.64 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1i7m h VAL 92 CO 0.13 0.17 -0.05 -0.65 0.02 0.00 0.00 177.57 177.19 1i7m h PRO 93 N 0.91 0.00 -0.04 1.57 0.11 -1.83 -1.87 132.00 130.86 1i7m h PRO 93 Ca 0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 1i7m h PRO 93 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1i7m h PRO 93 CO -0.08 0.05 -0.18 1.25 -0.21 0.00 0.00 178.00 178.83 1i7m h LEU 94 N 0.00 0.23 -1.02 2.35 5.85 -0.66 -2.34 115.31 119.72 1i7m h LEU 94 Ca -0.00 -0.65 0.06 0.00 0.84 0.00 0.00 57.88 58.13 1i7m h LEU 94 Cb 0.09 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1i7m h LEU 94 CO 0.01 0.85 0.65 -0.07 -0.34 0.00 0.00 178.44 179.53 1i7m h LEU 95 N -0.37 1.04 -0.36 2.25 3.38 -0.91 0.52 115.31 120.85 1i7m h LEU 95 Ca -0.01 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1i7m h LEU 95 Cb 0.84 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1i7m h LEU 95 CO 0.04 0.67 -0.13 0.50 0.09 0.00 0.00 178.44 179.61 1i7m h LYS 96 N 1.18 0.72 -0.91 1.13 1.63 -1.38 -1.41 116.57 117.52 1i7m h LYS 96 Ca 0.43 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1i7m h LYS 96 Cb 0.15 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 1i7m h LYS 96 CO -0.17 0.89 0.50 -0.07 -3.45 0.00 0.00 179.45 177.16 1i7m h LEU 97 N 0.51 1.13 -1.31 5.20 3.38 -0.77 0.18 115.31 123.63 1i7m h LEU 97 Ca 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1i7m h LEU 97 Cb 0.65 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1i7m h LEU 97 CO 0.04 0.90 -0.14 0.00 0.09 0.00 0.00 178.44 179.34 1i7m h ALA 98 N 1.28 1.04 0.10 1.53 0.00 -0.76 0.80 119.26 123.25 1i7m h ALA 98 Ca 0.32 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 1i7m h ALA 98 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i7m h ALA 98 CO -0.05 0.17 -1.04 -0.09 0.00 0.00 0.00 179.25 178.24 1i7m h ARG 99 N 0.00 0.20 -0.04 0.00 2.43 -0.12 -1.51 114.38 115.35 1i7m h ARG 99 Ca -0.00 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1i7m h ARG 99 Cb 0.63 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1i7m h ARG 99 CO 0.02 1.17 -0.09 -0.44 -1.51 0.00 0.00 179.97 179.11 1i7m h ASP 100 N -0.49 0.16 0.50 -3.80 3.32 -0.62 -2.74 116.42 112.75 1i7m h ASP 100 Ca -0.22 -0.57 -0.30 0.00 0.02 0.00 0.00 57.03 55.96 1i7m h ASP 100 Cb 1.58 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 1i7m h ASP 100 CO 0.05 0.70 -1.54 1.88 -1.72 0.00 0.00 179.24 178.61 1i7m h TYR 101 N -0.38 0.30 -0.01 4.55 0.05 -1.03 -3.40 116.97 117.05 1i7m h TYR 101 Ca 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1i7m h TYR 101 Cb 0.67 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1i7m h TYR 101 CO 0.12 1.28 -0.16 0.43 -1.05 0.00 0.00 178.16 178.78 1i7m n SER 102 N -3.35 1.04 0.00 3.88 7.64 -0.95 -5.00 113.62 116.88 1i7m n SER 102 Ca -0.16 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1i7m n SER 102 Cb 1.03 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.71 1i7m n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7m n GLY 103 N 0.80 0.42 3.60 0.23 0.00 -0.81 -4.95 105.19 104.47 1i7m n GLY 103 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1i7m n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i7m s PHE 104 N -2.04 2.40 -2.70 1.61 0.08 -0.63 -4.84 117.98 111.87 1i7m s PHE 104 Ca 0.00 0.67 0.22 0.00 0.12 0.00 0.00 56.93 57.94 1i7m s PHE 104 Cb 0.00 -4.32 0.23 0.00 -0.57 0.00 0.00 43.02 38.36 1i7m s PHE 104 CO 0.00 -1.97 1.25 -0.40 -0.10 0.00 0.00 175.22 174.00 1i7m n ASP 105 N 8.83 2.99 -3.98 1.36 5.68 -1.26 -3.87 116.55 126.30 1i7m n ASP 105 Ca 0.16 -1.94 -0.09 0.00 -0.50 0.00 0.00 54.79 52.42 1i7m n ASP 105 Cb 0.48 -0.06 -0.08 0.00 -1.14 0.00 0.00 41.12 40.32 1i7m n ASP 105 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1i7m s SER 106 N -1.77 0.22 -0.14 -1.12 1.04 -1.26 -5.14 113.70 105.52 1i7m s SER 106 Ca 0.29 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1i7m s SER 106 Cb 0.19 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1i7m s SER 106 CO 0.29 -0.74 -0.12 -0.63 0.98 0.00 0.00 173.24 173.02 1i7m s ILE 107 N -3.93 3.02 -0.08 -1.02 1.01 -1.26 -5.00 121.20 113.95 1i7m s ILE 107 Ca 0.11 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1i7m s ILE 107 Cb 0.06 -2.28 -0.29 0.00 0.01 0.00 0.00 42.46 39.95 1i7m s ILE 107 CO -0.06 0.51 0.69 -0.61 0.00 0.00 0.00 174.94 175.47 1i7m h GLN 108 N 6.96 0.28 -3.83 2.79 4.15 -2.01 -3.47 115.11 119.98 1i7m h GLN 108 Ca -0.29 -0.48 -0.19 0.00 0.77 0.00 0.00 58.65 58.46 1i7m h GLN 108 Cb 1.20 0.18 -0.24 0.00 0.21 0.00 0.00 27.48 28.83 1i7m h GLN 108 CO 0.57 1.23 -0.69 -1.12 -1.93 0.00 0.00 178.83 176.88 1i7m s SER 109 N -7.05 0.12 -0.02 -0.69 0.01 -1.26 -5.00 113.70 99.81 1i7m s SER 109 Ca -0.17 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 56.83 1i7m s SER 109 Cb 0.03 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.36 1i7m s SER 109 CO 0.80 -0.17 0.04 0.12 0.41 0.00 0.00 173.24 174.43 1i7m s PHE 110 N -0.81 0.00 -0.10 2.43 5.36 -1.26 -5.06 117.98 118.54 1i7m s PHE 110 Ca -0.09 0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1i7m s PHE 110 Cb -0.06 -0.17 0.05 0.00 -0.34 0.00 0.00 43.02 42.50 1i7m s PHE 110 CO -0.00 -0.08 0.21 -0.06 -1.46 0.00 0.00 175.22 173.82 1i7m s PHE 111 N 0.86 -0.29 -0.10 10.12 0.08 -1.26 -3.66 117.98 123.73 1i7m s PHE 111 Ca -0.07 0.75 0.01 0.00 0.12 0.00 0.00 56.93 57.73 1i7m s PHE 111 Cb -0.10 -0.11 0.02 0.00 -0.57 0.00 0.00 43.02 42.26 1i7m s PHE 111 CO -0.03 -0.28 -0.10 -0.47 -0.10 0.00 0.00 175.22 174.25 1i7m s TYR 112 N 2.02 1.54 0.14 0.36 5.04 -0.64 -4.99 117.35 120.82 1i7m s TYR 112 Ca -0.01 -0.72 -0.12 0.00 -2.44 0.00 0.00 57.07 53.77 1i7m s TYR 112 Cb -0.12 -1.22 0.01 0.00 0.35 0.00 0.00 41.96 40.99 1i7m s TYR 112 CO -0.07 -0.45 0.33 -1.54 -1.34 0.00 0.00 175.55 172.48 1i7m s SER 113 N 1.34 -0.07 -0.20 4.32 1.04 -1.26 0.15 113.70 119.02 1i7m s SER 113 Ca -0.01 -0.59 -0.31 0.00 0.48 0.00 0.00 55.95 55.52 1i7m s SER 113 Cb -0.14 0.44 0.15 0.00 0.10 0.00 0.00 66.02 66.58 1i7m s SER 113 CO -0.05 -0.86 1.16 0.00 0.98 0.00 0.00 173.24 174.48 1i7m s ARG 114 N -3.88 0.36 0.62 4.02 1.70 -0.58 -5.00 118.95 116.20 1i7m s ARG 114 Ca 0.08 0.02 -0.12 0.00 -0.47 0.00 0.00 55.73 55.24 1i7m s ARG 114 Cb 0.03 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1i7m s ARG 114 CO -0.07 -0.13 1.03 0.21 -1.08 0.00 0.00 175.30 175.27 1i7m s LYS 115 N -1.48 3.49 0.27 3.89 2.20 -1.26 -0.54 119.74 126.31 1i7m s LYS 115 Ca 0.05 0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 1i7m s LYS 115 Cb -0.01 -2.07 -0.11 0.00 -1.51 0.00 0.00 37.83 34.14 1i7m s LYS 115 CO -0.04 -0.66 1.51 0.54 -0.36 0.00 0.00 175.35 176.35 1i7m s ASN 116 N -3.96 6.52 0.00 1.43 4.22 -0.80 -4.85 114.94 117.50 1i7m s ASN 116 Ca 0.56 2.80 0.00 0.00 -2.14 0.00 0.00 52.86 54.08 1i7m s ASN 116 Cb -0.12 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 39.78 1i7m s ASN 116 CO 0.52 -0.80 0.00 0.49 -2.04 0.00 0.00 177.10 175.27 1i7m n PHE 117 N 2.24 0.00 -0.76 1.54 3.72 -1.26 -4.93 117.46 118.01 1i7m n PHE 117 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1i7m n PHE 117 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1i7m n PHE 117 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1i7m n LYS 119 N 0.00 0.00 -0.25 -1.08 4.76 -1.26 -5.09 118.16 115.24 1i7m n LYS 119 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1i7m n LYS 119 Cb 0.00 -0.76 0.16 0.00 -1.84 0.00 0.00 35.03 32.59 1i7m n LYS 119 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1i7m h PRO 120 N 6.07 0.49 0.00 1.97 0.11 -1.97 -2.14 132.00 136.53 1i7m h PRO 120 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1i7m h PRO 120 Cb 0.57 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1i7m h PRO 120 CO 0.57 0.33 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 1i7m n SER 121 N -4.94 0.00 0.09 -2.05 3.41 -1.26 -2.26 113.62 106.60 1i7m n SER 121 Ca 0.13 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1i7m n SER 121 Cb 0.35 -0.28 0.17 0.00 -0.26 0.00 0.00 64.21 64.18 1i7m n SER 121 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1i7m h HIS 122 N 0.00 0.00 -4.10 7.33 3.86 -1.77 -3.47 115.15 117.00 1i7m h HIS 122 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 1i7m h HIS 122 Cb 0.10 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.59 1i7m h HIS 122 CO 0.00 0.00 0.32 -0.65 0.86 0.00 0.00 177.93 178.46 1i7m s GLN 123 N -3.20 3.82 0.43 2.45 -1.52 -0.96 -5.00 119.66 115.69 1i7m s GLN 123 Ca 0.06 0.78 0.08 0.00 -1.95 0.00 0.00 55.36 54.33 1i7m s GLN 123 Cb 0.12 -2.18 0.00 0.00 -0.22 0.00 0.00 33.01 30.73 1i7m s GLN 123 CO 0.71 -0.29 0.52 0.20 -0.25 0.00 0.00 175.29 176.19 1i7m s GLY 124 N -3.38 2.00 0.34 3.09 0.00 -1.26 -4.57 107.32 103.54 1i7m s GLY 124 Ca 0.56 -1.75 -0.29 0.00 0.00 0.00 0.00 44.72 43.24 1i7m s GLY 124 CO 0.37 -1.57 1.55 -0.47 0.00 0.00 0.00 173.10 172.98 1i7m s TYR 125 N -2.41 2.64 -0.55 1.90 5.04 -1.26 -0.26 117.35 122.45 1i7m s TYR 125 Ca 0.53 0.97 0.01 0.00 -2.44 0.00 0.00 57.07 56.14 1i7m s TYR 125 Cb -0.08 -4.07 0.50 0.00 0.35 0.00 0.00 41.96 38.67 1i7m s TYR 125 CO 0.32 -3.36 1.87 -0.35 -1.34 0.00 0.00 175.55 172.69 1i7m n PRO 126 N 1.25 2.64 -0.64 4.97 -0.04 -1.26 -4.96 135.00 136.96 1i7m n PRO 126 Ca 0.04 -3.33 0.01 0.00 -0.04 0.00 0.00 63.50 60.19 1i7m n PRO 126 Cb 0.38 -2.23 0.22 0.00 -0.04 0.00 0.00 33.50 31.83 1i7m n PRO 126 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1i7m n HIS 127 N -0.96 1.05 0.21 0.54 8.25 0.64 -3.45 115.22 121.50 1i7m n HIS 127 Ca 0.58 -1.29 0.08 0.00 -0.26 0.00 0.00 57.72 56.83 1i7m n HIS 127 Cb 0.94 -0.42 0.44 0.00 1.12 0.00 0.00 29.99 32.07 1i7m n HIS 127 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i7m h ARG 128 N 1.29 0.00 -2.56 -0.41 3.08 -1.80 -3.44 114.38 110.53 1i7m h ARG 128 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1i7m h ARG 128 Cb 1.59 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.49 1i7m h ARG 128 CO 0.33 0.29 0.28 1.21 -1.07 0.00 0.00 179.97 181.01 1i7m s ASN 129 N -6.36 -0.54 0.27 7.04 3.84 -1.26 -4.62 114.94 113.31 1i7m s ASN 129 Ca -0.00 0.17 -0.03 0.00 0.21 0.00 0.00 52.86 53.20 1i7m s ASN 129 Cb 0.11 0.53 0.34 0.00 -0.55 0.00 0.00 41.25 41.68 1i7m s ASN 129 CO 0.66 -0.79 1.87 0.15 -2.79 0.00 0.00 177.10 176.20 1i7m h PHE 130 N 2.24 1.04 -0.82 0.43 3.57 -1.93 -2.22 116.94 119.26 1i7m h PHE 130 Ca -0.29 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.22 1i7m h PHE 130 Cb 1.25 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 1i7m h PHE 130 CO 0.27 0.75 0.51 0.37 -2.23 0.00 0.00 178.31 177.98 1i7m h GLN 131 N 1.05 0.91 -0.21 1.11 5.75 -1.97 0.17 115.11 121.93 1i7m h GLN 131 Ca 0.26 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1i7m h GLN 131 Cb 0.09 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1i7m h GLN 131 CO -0.03 0.60 -0.21 1.49 -2.65 0.00 0.00 178.83 178.03 1i7m h GLU 132 N 0.94 0.37 -0.08 1.69 4.81 -1.76 -0.19 114.58 120.35 1i7m h GLU 132 Ca 0.35 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1i7m h GLU 132 Cb 0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1i7m h GLU 132 CO -0.16 0.56 -0.59 0.93 -0.73 0.00 0.00 179.01 179.02 1i7m h GLU 133 N 0.33 0.28 0.16 1.92 5.08 -0.48 -1.19 114.58 120.68 1i7m h GLU 133 Ca 0.06 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1i7m h GLU 133 Cb 0.56 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1i7m h GLU 133 CO 0.04 0.79 -0.08 0.82 -1.00 0.00 0.00 179.01 179.58 1i7m h ILE 134 N 0.21 0.95 -0.87 3.13 2.04 -0.15 -0.62 117.51 122.19 1i7m h ILE 134 Ca -0.00 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1i7m h ILE 134 Cb 1.10 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1i7m h ILE 134 CO 0.09 0.13 0.55 -0.33 0.00 0.00 0.00 178.15 178.59 1i7m h GLU 135 N -0.48 0.99 -0.73 2.37 5.08 -0.97 0.98 114.58 121.82 1i7m h GLU 135 Ca -0.02 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1i7m h GLU 135 Cb 0.37 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1i7m h GLU 135 CO 0.04 0.66 0.23 0.35 -1.00 0.00 0.00 179.01 179.28 1i7m h PHE 136 N 1.02 1.17 0.04 4.33 3.57 -1.08 -2.51 116.94 123.48 1i7m h PHE 136 Ca 0.37 -0.11 -0.24 0.00 3.53 0.00 0.00 57.97 61.52 1i7m h PHE 136 Cb 0.12 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1i7m h PHE 136 CO -0.03 0.92 -1.03 -0.07 -2.23 0.00 0.00 178.31 175.88 1i7m h LEU 137 N 1.09 0.47 -1.85 0.59 3.38 0.19 -3.23 115.31 115.94 1i7m h LEU 137 Ca 0.24 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1i7m h LEU 137 Cb 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1i7m h LEU 137 CO -0.01 1.24 -0.12 0.78 0.09 0.00 0.00 178.44 180.42 1i7m h ASN 138 N 0.17 0.00 1.43 -0.43 2.35 0.11 0.12 115.58 119.32 1i7m h ASN 138 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1i7m h ASN 138 Cb 1.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.06 1i7m h ASN 138 CO 0.17 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 176.07 1i7m h ALA 139 N 1.88 1.00 0.00 -0.83 0.00 -1.47 -3.29 119.26 116.55 1i7m h ALA 139 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1i7m h ALA 139 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1i7m h ALA 139 CO 0.02 0.00 -2.33 -0.89 0.00 0.00 0.00 179.25 176.05 1i7m n ILE 140 N -2.55 1.33 -4.72 0.00 5.41 -0.42 -5.00 119.36 113.42 1i7m n ILE 140 Ca 0.04 -0.57 -0.28 0.00 1.00 0.00 0.00 62.75 62.93 1i7m n ILE 140 Cb 0.41 -1.16 -0.14 0.00 -0.71 0.00 0.00 39.64 38.03 1i7m n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1i7m s PHE 141 N -2.47 2.15 -0.93 1.39 0.08 0.28 -5.04 117.98 113.44 1i7m s PHE 141 Ca -0.27 -0.40 0.24 0.00 0.12 0.00 0.00 56.93 56.62 1i7m s PHE 141 Cb 0.08 -1.26 0.30 0.00 -0.57 0.00 0.00 43.02 41.56 1i7m s PHE 141 CO 0.59 0.16 1.26 -0.35 -0.10 0.00 0.00 175.22 176.78 1i7m n PRO 142 N 1.61 0.05 -2.17 0.24 -0.04 -1.26 -4.42 135.00 129.01 1i7m n PRO 142 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1i7m n PRO 142 Cb 0.53 -1.52 0.03 0.00 -0.04 0.00 0.00 33.50 32.49 1i7m n PRO 142 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1i7m n ASN 143 N -1.59 4.32 -4.72 3.54 6.94 -1.26 -5.07 115.26 117.42 1i7m n ASN 143 Ca 0.05 -3.44 -0.42 0.00 -0.02 0.00 0.00 54.58 50.75 1i7m n ASN 143 Cb 0.35 -0.37 -0.04 0.00 -2.36 0.00 0.00 39.78 37.37 1i7m n ASN 143 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1i7m s GLY 144 N -3.64 2.79 -0.22 4.83 0.00 -1.26 -2.06 107.32 107.77 1i7m s GLY 144 Ca 0.47 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.88 1i7m s GLY 144 CO 0.02 1.72 -0.14 0.00 0.00 0.00 0.00 173.10 174.70 1i7m s ALA 145 N 0.50 2.50 0.00 3.20 0.00 0.33 -4.97 121.76 123.33 1i7m s ALA 145 Ca 0.52 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1i7m s ALA 145 Cb -0.26 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1i7m s ALA 145 CO 0.30 -0.67 0.17 0.20 0.00 0.00 0.00 175.76 175.77 1i7m s GLY 146 N 1.26 2.16 0.05 0.00 0.00 -1.26 -0.80 107.32 108.73 1i7m s GLY 146 Ca 0.01 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 1i7m s GLY 146 CO -0.09 -0.70 0.23 -0.19 0.00 0.00 0.00 173.10 172.36 1i7m s TYR 147 N -1.34 0.02 0.30 1.90 2.02 0.01 -4.99 117.35 115.27 1i7m s TYR 147 Ca 0.28 -0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.75 1i7m s TYR 147 Cb -0.13 0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.43 1i7m s TYR 147 CO 0.20 -0.47 0.09 0.00 -1.57 0.00 0.00 175.55 173.80 1i7m n GLY 150 N 0.16 0.00 0.00 0.00 0.00 -1.26 -4.94 105.19 99.15 1i7m n GLY 150 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1i7m n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7m n ARG 151 N -0.11 1.01 -1.64 1.61 1.74 -1.26 -4.88 116.66 113.12 1i7m n ARG 151 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1i7m n ARG 151 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1i7m n ARG 151 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1i7m n ASN 153 N 0.00 0.00 -0.06 0.55 5.03 -1.26 -3.82 115.26 115.69 1i7m n ASN 153 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1i7m n ASN 153 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1i7m n ASN 153 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1i7m n SER 154 N 0.61 0.00 -4.56 6.41 2.88 -1.26 -5.05 113.62 112.65 1i7m n SER 154 Ca 0.00 -0.06 -0.28 0.00 -1.33 0.00 0.00 58.87 57.20 1i7m n SER 154 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1i7m n SER 154 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1i7m s ASP 155 N 1.81 5.18 0.44 -3.46 1.01 -1.26 -4.80 116.67 115.59 1i7m s ASP 155 Ca 0.00 -0.93 0.05 0.00 0.71 0.00 0.00 52.55 52.39 1i7m s ASP 155 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 1i7m s ASP 155 CO 0.00 -2.76 0.02 0.00 0.21 0.00 0.00 175.17 172.64 1i7m s TRP 157 N -2.75 0.22 0.02 0.00 -0.00 -1.26 -1.90 118.94 113.27 1i7m s TRP 157 Ca 0.28 0.06 0.01 0.00 -0.00 0.00 0.00 56.10 56.44 1i7m s TRP 157 Cb 0.07 -0.39 -0.04 0.00 -0.00 0.00 0.00 33.47 33.11 1i7m s TRP 157 CO 0.14 -0.14 0.09 0.71 -0.00 0.00 0.00 176.95 177.75 1i7m s TYR 158 N 1.23 3.27 -0.06 5.86 2.02 0.30 -4.28 117.35 125.68 1i7m s TYR 158 Ca -0.07 0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1i7m s TYR 158 Cb -0.13 -1.71 0.04 0.00 -0.40 0.00 0.00 41.96 39.76 1i7m s TYR 158 CO -0.02 0.54 0.14 -1.17 -1.57 0.00 0.00 175.55 173.47 1i7m s LEU 159 N -1.94 0.69 -0.23 -1.29 2.96 -0.62 -1.53 118.68 116.72 1i7m s LEU 159 Ca 0.25 0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1i7m s LEU 159 Cb -0.12 0.31 0.02 0.00 0.50 0.00 0.00 46.19 46.90 1i7m s LEU 159 CO 0.17 -0.16 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.49 1i7m s TYR 160 N 1.26 2.99 0.24 5.38 5.04 0.12 -0.81 117.35 131.58 1i7m s TYR 160 Ca -0.08 -1.43 0.03 0.00 -2.44 0.00 0.00 57.07 53.14 1i7m s TYR 160 Cb -0.12 -2.05 -0.05 0.00 0.35 0.00 0.00 41.96 40.09 1i7m s TYR 160 CO -0.06 -0.70 0.03 -0.08 -1.34 0.00 0.00 175.55 173.41 1i7m s THR 161 N 1.35 0.87 0.09 4.34 -1.32 0.02 -1.61 115.64 119.38 1i7m s THR 161 Ca 0.02 -2.01 0.05 0.00 -1.21 0.00 0.00 61.69 58.54 1i7m s THR 161 Cb -0.15 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 1i7m s THR 161 CO -0.06 -0.21 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.37 1i7m s LEU 162 N -3.31 3.40 -0.12 9.08 1.43 -1.24 0.12 118.68 128.04 1i7m s LEU 162 Ca 0.32 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1i7m s LEU 162 Cb 0.07 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1i7m s LEU 162 CO 0.10 0.18 -0.02 1.51 0.23 0.00 0.00 176.35 178.35 1i7m s ASP 163 N -2.25 2.17 0.00 2.29 -4.77 -0.87 -4.80 116.67 108.44 1i7m s ASP 163 Ca 0.25 -0.36 0.00 0.00 -3.30 0.00 0.00 52.55 49.14 1i7m s ASP 163 Cb -0.12 -0.66 0.00 0.00 -1.09 0.00 0.00 42.92 41.05 1i7m s ASP 163 CO 0.17 -0.19 0.00 0.49 0.70 0.00 0.00 175.17 176.34 1i7m n PHE 164 N 5.03 0.00 -1.78 2.11 3.72 -1.26 -4.85 117.46 120.43 1i7m n PHE 164 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1i7m n PHE 164 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1i7m n PHE 164 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1i7m n GLN 172 N -1.78 -4.96 -1.65 -1.08 7.27 -1.26 -5.05 117.38 108.87 1i7m n GLN 172 Ca 0.00 3.58 -0.45 0.00 0.07 0.00 0.00 57.00 60.20 1i7m n GLN 172 Cb 0.00 -3.94 -0.03 0.00 2.41 0.00 0.00 30.24 28.68 1i7m n GLN 172 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1i7m n PRO 173 N 0.50 1.80 -3.59 3.69 -0.02 -1.26 -4.88 135.00 131.24 1i7m n PRO 173 Ca 0.00 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1i7m n PRO 173 Cb 0.00 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.19 1i7m n PRO 173 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1i7m s ASP 174 N 0.09 -0.44 0.04 2.55 2.15 -1.26 -4.96 116.67 114.84 1i7m s ASP 174 Ca 0.67 0.62 -0.26 0.00 0.43 0.00 0.00 52.55 54.01 1i7m s ASP 174 Cb -0.69 0.55 0.06 0.00 -0.30 0.00 0.00 42.92 42.55 1i7m s ASP 174 CO 0.52 -0.30 0.61 0.00 -0.17 0.00 0.00 175.17 175.83 1i7m s GLN 175 N -0.63 1.12 -0.08 4.34 0.00 -1.26 -2.19 119.66 120.95 1i7m s GLN 175 Ca -0.01 -0.11 -0.04 0.00 -0.00 0.00 0.00 55.36 55.20 1i7m s GLN 175 Cb -0.02 0.52 0.04 0.00 0.00 0.00 0.00 33.01 33.55 1i7m s GLN 175 CO -0.00 -0.41 0.19 0.99 0.00 0.00 0.00 175.29 176.05 1i7m s THR 176 N -2.35 -0.04 0.01 3.63 2.01 -0.76 -4.26 115.64 113.87 1i7m s THR 176 Ca -0.06 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.17 1i7m s THR 176 Cb -0.01 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 1i7m s THR 176 CO -0.01 0.07 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.57 1i7m s LEU 177 N 1.16 2.45 0.02 4.42 2.96 0.22 -1.18 118.68 128.73 1i7m s LEU 177 Ca -0.09 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1i7m s LEU 177 Cb -0.11 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1i7m s LEU 177 CO -0.07 0.29 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.57 1i7m s GLU 178 N -1.05 0.55 -0.25 1.98 2.02 -0.50 -1.63 118.70 119.81 1i7m s GLU 178 Ca 0.12 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 1i7m s GLU 178 Cb -0.10 -0.45 0.08 0.00 0.10 0.00 0.00 34.13 33.75 1i7m s GLU 178 CO 0.02 0.11 0.05 0.42 0.02 0.00 0.00 175.26 175.88 1i7m s ILE 179 N -0.68 0.86 0.12 -1.63 1.01 -0.13 -1.96 121.20 118.78 1i7m s ILE 179 Ca -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.59 1i7m s ILE 179 Cb -0.06 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1i7m s ILE 179 CO 0.00 -0.39 0.27 -0.76 0.00 0.00 0.00 174.94 174.06 1i7m s LEU 180 N 1.67 4.33 0.00 2.97 1.43 0.13 -2.14 118.68 127.07 1i7m s LEU 180 Ca 0.03 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1i7m s LEU 180 Cb -0.17 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1i7m s LEU 180 CO -0.15 0.09 0.00 -1.20 0.23 0.00 0.00 176.35 175.32 1i7m n SER 182 N -0.18 0.00 -3.92 2.29 7.64 -0.77 -1.17 113.62 117.51 1i7m n SER 182 Ca -0.06 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.53 1i7m n SER 182 Cb 0.53 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1i7m n SER 182 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i7m n GLU 183 N -0.64 -2.38 -2.92 1.43 1.02 -1.24 -1.88 120.64 114.03 1i7m n GLU 183 Ca 0.00 0.37 -0.40 0.00 -0.02 0.00 0.00 57.16 57.11 1i7m n GLU 183 Cb 0.00 -4.20 -0.06 0.00 -0.02 0.00 0.00 31.44 27.16 1i7m n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i7m s LEU 184 N -6.91 4.56 -0.20 -4.62 1.43 -1.26 0.10 118.68 111.78 1i7m s LEU 184 Ca 0.16 1.66 -0.40 0.00 -1.03 0.00 0.00 54.13 54.51 1i7m s LEU 184 Cb -0.06 -3.36 -0.17 0.00 0.03 0.00 0.00 46.19 42.63 1i7m s LEU 184 CO 0.90 0.12 1.58 -0.67 0.23 0.00 0.00 176.35 178.51 1i7m n ASP 185 N 2.02 1.90 -0.13 2.29 4.64 0.01 -4.88 116.55 122.41 1i7m n ASP 185 Ca -0.03 1.11 -0.05 0.00 -1.38 0.00 0.00 54.79 54.44 1i7m n ASP 185 Cb 0.49 -1.11 0.04 0.00 -1.04 0.00 0.00 41.12 39.50 1i7m n ASP 185 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1i7m h PRO 186 N 6.00 0.29 -0.74 -0.67 0.11 -1.93 -2.42 132.00 132.63 1i7m h PRO 186 Ca -0.47 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1i7m h PRO 186 Cb 1.34 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1i7m h PRO 186 CO 0.90 0.19 0.49 0.00 -0.21 0.00 0.00 178.00 179.37 1i7m h ALA 187 N 1.29 1.85 -0.11 -0.75 0.00 -1.99 -1.14 119.26 118.40 1i7m h ALA 187 Ca 0.20 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1i7m h ALA 187 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1i7m h ALA 187 CO -0.22 -0.01 0.09 1.33 0.00 0.00 0.00 179.25 180.45 1i7m n VAL 188 N -4.50 2.04 0.00 0.00 0.24 -0.91 -4.34 118.33 110.86 1i7m n VAL 188 Ca 0.12 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1i7m n VAL 188 Cb 0.35 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 1i7m n VAL 188 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1i7m n ASP 190 N 1.11 0.00 0.14 -1.34 2.03 -0.43 -4.39 116.55 113.67 1i7m n ASP 190 Ca 0.07 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.51 1i7m n ASP 190 Cb 0.53 0.00 0.66 0.00 -0.72 0.00 0.00 41.12 41.60 1i7m n ASP 190 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1i7m h GLN 191 N 0.00 0.00 -1.01 -0.67 4.20 -1.86 -2.43 115.11 113.33 1i7m h GLN 191 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 1i7m h GLN 191 Cb 0.00 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.56 1i7m h GLN 191 CO 0.00 0.00 0.49 1.19 -0.67 0.00 0.00 178.83 179.84 1i7m n PHE 192 N -4.46 2.24 0.00 2.96 3.72 -1.26 -4.94 117.46 115.71 1i7m n PHE 192 Ca 0.03 -1.53 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 1i7m n PHE 192 Cb 0.32 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 1i7m n PHE 192 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1i7m n TYR 193 N -0.67 0.00 0.00 1.38 4.01 -0.92 -1.81 117.16 119.15 1i7m n TYR 193 Ca 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 1i7m n TYR 193 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.35 1i7m n TYR 193 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1i7m n LYS 195 N 0.00 0.00 -2.00 -0.72 5.02 -1.26 -4.99 118.16 114.21 1i7m n LYS 195 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1i7m n LYS 195 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1i7m n LYS 195 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1i7m s ASP 196 N 0.00 6.64 0.00 4.39 -0.00 -1.26 -2.21 116.67 124.23 1i7m s ASP 196 Ca 0.00 2.71 0.00 0.00 -0.00 0.00 0.00 52.55 55.26 1i7m s ASP 196 Cb 0.00 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.29 1i7m s ASP 196 CO 0.00 -0.70 0.00 0.61 -0.00 0.00 0.00 175.17 175.08 1i7m n GLY 197 N 1.84 0.82 2.83 0.21 0.00 -1.26 -5.02 105.19 104.61 1i7m n GLY 197 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1i7m n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i7m s VAL 198 N -3.22 0.88 0.88 1.61 1.01 -0.94 -5.11 120.40 115.52 1i7m s VAL 198 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1i7m s VAL 198 Cb 0.00 -1.19 0.19 0.00 0.00 0.00 0.00 36.38 35.38 1i7m s VAL 198 CO 0.00 -0.01 1.21 0.28 0.00 0.00 0.00 175.10 176.58 1i7m s THR 199 N 1.71 2.02 0.12 3.92 -1.32 -1.26 -4.47 115.64 116.35 1i7m s THR 199 Ca -0.00 -0.26 -0.15 0.00 -1.21 0.00 0.00 61.69 60.06 1i7m s THR 199 Cb -0.16 -2.75 -0.03 0.00 -1.51 0.00 0.00 72.50 68.05 1i7m s THR 199 CO -0.07 0.00 1.57 0.00 -2.21 0.00 0.00 174.62 173.91 1i7m h ALA 200 N -1.25 0.50 -0.30 11.08 0.00 -1.94 -1.84 119.26 125.51 1i7m h ALA 200 Ca -0.40 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.33 1i7m h ALA 200 Cb 1.24 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1i7m h ALA 200 CO 0.35 0.26 -0.09 -0.22 0.00 0.00 0.00 179.25 179.55 1i7m h LYS 201 N 0.47 -0.02 -0.76 0.00 1.63 -1.94 0.84 116.57 116.79 1i7m h LYS 201 Ca 0.11 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 1i7m h LYS 201 Cb 0.44 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 1i7m h LYS 201 CO 0.02 -0.01 0.48 -0.44 -3.45 0.00 0.00 179.45 176.04 1i7m h ASP 202 N -0.02 0.78 -0.23 4.20 3.32 -1.90 -1.24 116.42 121.32 1i7m h ASP 202 Ca 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1i7m h ASP 202 Cb 0.24 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1i7m h ASP 202 CO -0.32 0.53 0.03 0.58 -1.72 0.00 0.00 179.24 178.34 1i7m h VAL 203 N 0.92 1.24 -0.61 -1.35 2.07 -0.26 0.17 116.25 118.43 1i7m h VAL 203 Ca 0.31 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 67.12 1i7m h VAL 203 Cb 0.04 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1i7m h VAL 203 CO -0.12 0.25 0.24 0.74 0.02 0.00 0.00 177.57 178.70 1i7m h THR 204 N 0.18 0.80 0.31 2.57 2.02 0.10 0.28 112.91 119.17 1i7m h THR 204 Ca 0.07 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1i7m h THR 204 Cb 0.35 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1i7m h THR 204 CO 0.01 0.08 -0.15 -0.09 0.37 0.00 0.00 175.52 175.74 1i7m h ARG 205 N 0.44 -0.40 0.00 6.66 2.43 -1.12 -1.51 114.38 120.87 1i7m h ARG 205 Ca 0.30 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1i7m h ARG 205 Cb 0.35 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1i7m h ARG 205 CO -0.29 -0.09 -0.14 0.93 -1.51 0.00 0.00 179.97 178.87 1i7m h GLU 206 N -0.97 0.00 -0.13 0.20 4.39 -0.50 -2.55 114.58 115.02 1i7m h GLU 206 Ca -0.04 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.50 1i7m h GLU 206 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1i7m h GLU 206 CO 0.07 0.14 -0.58 0.66 -1.16 0.00 0.00 179.01 178.14 1i7m h SER 207 N 0.00 0.48 0.00 1.42 4.64 -0.54 -3.47 113.55 116.08 1i7m h SER 207 Ca -0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1i7m h SER 207 Cb 0.30 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1i7m h SER 207 CO 0.02 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 1i7m n GLY 208 N 0.27 0.87 0.37 -0.77 0.00 -0.96 -4.96 105.19 100.02 1i7m n GLY 208 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1i7m n GLY 208 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i7m h ILE 209 N 0.00 1.03 -0.71 -0.61 2.04 -1.71 -1.58 117.51 115.98 1i7m h ILE 209 Ca 0.00 -0.37 0.11 0.00 1.00 0.00 0.00 64.86 65.59 1i7m h ILE 209 Cb 0.00 -0.15 -0.08 0.00 -0.74 0.00 0.00 36.82 35.85 1i7m h ILE 209 CO 0.00 0.20 0.33 -0.09 0.00 0.00 0.00 178.15 178.58 1i7m h ARG 210 N 1.09 0.52 -0.00 2.37 2.43 -1.56 -2.03 114.38 117.19 1i7m h ARG 210 Ca 0.44 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1i7m h ARG 210 Cb 0.28 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1i7m h ARG 210 CO -0.19 0.34 -0.05 -0.25 -1.51 0.00 0.00 179.97 178.31 1i7m n ASP 211 N -4.92 0.46 -0.20 -3.80 8.00 -0.61 -3.75 116.55 111.73 1i7m n ASP 211 Ca 0.12 -0.82 0.04 0.00 0.71 0.00 0.00 54.79 54.84 1i7m n ASP 211 Cb 0.31 -0.06 0.31 0.00 -0.02 0.00 0.00 41.12 41.66 1i7m n ASP 211 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1i7m h LEU 212 N 0.64 0.75 -6.64 0.64 3.38 -1.18 -3.32 115.31 109.58 1i7m h LEU 212 Ca 0.00 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1i7m h LEU 212 Cb 0.27 -0.17 -0.39 0.00 0.09 0.00 0.00 40.66 40.45 1i7m h LEU 212 CO 0.00 0.51 -0.83 -0.63 0.09 0.00 0.00 178.44 177.57 1i7m s ILE 213 N -5.75 0.20 0.81 1.22 1.01 -1.25 -5.04 121.20 112.41 1i7m s ILE 213 Ca -0.10 -1.64 -0.14 0.00 0.00 0.00 0.00 60.65 58.76 1i7m s ILE 213 Cb 0.19 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.52 1i7m s ILE 213 CO 0.78 -0.95 0.73 -2.65 0.00 0.00 0.00 174.94 172.84 1i7m n PRO 214 N 4.17 0.11 -2.03 2.79 -0.02 -1.25 -3.86 135.00 134.91 1i7m n PRO 214 Ca 0.09 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 1i7m n PRO 214 Cb 0.37 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 1i7m n PRO 214 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i7m n GLY 215 N 1.24 0.22 3.66 -1.23 0.00 -1.26 -5.02 105.19 102.80 1i7m n GLY 215 Ca 0.10 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1i7m n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i7m s SER 216 N -2.53 4.89 -0.24 1.61 0.01 -1.25 -4.65 113.70 111.54 1i7m s SER 216 Ca 0.00 -0.20 -0.18 0.00 1.31 0.00 0.00 55.95 56.88 1i7m s SER 216 Cb 0.00 -1.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 1i7m s SER 216 CO 0.00 0.19 0.50 0.54 0.41 0.00 0.00 173.24 174.88 1i7m s VAL 217 N -1.26 5.10 -0.03 3.43 0.11 -1.26 -5.00 120.40 121.49 1i7m s VAL 217 Ca 0.24 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 1i7m s VAL 217 Cb -0.12 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 30.89 1i7m s VAL 217 CO 0.16 0.13 -0.00 -0.63 -3.33 0.00 0.00 175.10 171.43 1i7m s ILE 218 N 1.99 4.16 -0.17 7.04 1.01 -1.26 -4.24 121.20 129.73 1i7m s ILE 218 Ca 0.21 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1i7m s ILE 218 Cb -0.15 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.55 1i7m s ILE 218 CO 0.09 0.47 -0.05 -0.62 0.00 0.00 0.00 174.94 174.83 1i7m s ASP 219 N -1.29 2.84 0.16 3.58 2.15 0.25 -4.98 116.67 119.38 1i7m s ASP 219 Ca 0.17 -0.67 0.03 0.00 0.43 0.00 0.00 52.55 52.51 1i7m s ASP 219 Cb -0.11 -0.91 -0.05 0.00 -0.30 0.00 0.00 42.92 41.55 1i7m s ASP 219 CO 0.07 -0.19 -0.04 0.00 -0.17 0.00 0.00 175.17 174.84 1i7m s ALA 220 N 1.64 1.36 0.00 3.66 0.00 -1.26 -0.27 121.76 126.89 1i7m s ALA 220 Ca 0.01 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1i7m s ALA 220 Cb -0.15 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1i7m s ALA 220 CO -0.08 -0.23 0.00 -2.37 0.00 0.00 0.00 175.76 173.09 1i7m n THR 221 N -0.21 0.00 -3.79 0.00 5.66 -0.87 -4.87 114.28 110.20 1i7m n THR 221 Ca -0.09 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.79 1i7m n THR 221 Cb 0.62 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.29 1i7m n THR 221 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1i7m s PHE 223 N -2.22 -0.26 -0.15 1.09 0.08 0.13 -2.10 117.98 114.55 1i7m s PHE 223 Ca 0.00 0.61 -0.28 0.00 0.12 0.00 0.00 56.93 57.38 1i7m s PHE 223 Cb 0.00 0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.53 1i7m s PHE 223 CO 0.00 -0.17 0.96 1.21 -0.10 0.00 0.00 175.22 177.12 1i7m s ASN 224 N -0.08 7.13 0.10 1.36 2.47 -1.26 -0.52 114.94 124.15 1i7m s ASN 224 Ca -0.02 1.39 0.23 0.00 0.42 0.00 0.00 52.86 54.89 1i7m s ASN 224 Cb -0.02 -2.52 0.13 0.00 -1.45 0.00 0.00 41.25 37.38 1i7m s ASN 224 CO 0.01 -0.47 1.11 -0.81 -3.72 0.00 0.00 177.10 173.22 1i7m n PRO 225 N 5.32 0.37 -3.71 0.43 -0.04 -1.26 -5.01 135.00 131.10 1i7m n PRO 225 Ca 0.08 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1i7m n PRO 225 Cb 0.48 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 1i7m n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i7m n GLY 227 N 2.14 4.87 2.85 0.00 0.00 -0.75 -4.64 105.19 109.65 1i7m n GLY 227 Ca -0.16 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1i7m n GLY 227 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i7m s TYR 228 N -0.82 0.03 0.37 1.61 5.04 -0.96 0.20 117.35 122.82 1i7m s TYR 228 Ca 0.00 0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.69 1i7m s TYR 228 Cb 0.00 -0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.21 1i7m s TYR 228 CO 0.00 -0.02 0.15 -1.12 -1.34 0.00 0.00 175.55 173.21 1i7m s SER 229 N 0.23 2.39 -0.28 4.32 0.01 -0.89 -0.34 113.70 119.14 1i7m s SER 229 Ca -0.02 -1.64 -0.18 0.00 1.31 0.00 0.00 55.95 55.42 1i7m s SER 229 Cb -0.03 0.45 0.09 0.00 0.21 0.00 0.00 66.02 66.74 1i7m s SER 229 CO -0.01 -0.91 0.76 0.20 0.41 0.00 0.00 173.24 173.69 1i7m s ASN 231 N -3.53 -0.82 0.47 2.44 0.01 0.63 -2.06 114.94 112.09 1i7m s ASN 231 Ca 0.29 1.37 0.02 0.00 -0.71 0.00 0.00 52.86 53.83 1i7m s ASN 231 Cb 0.03 1.35 -0.02 0.00 0.41 0.00 0.00 41.25 43.03 1i7m s ASN 231 CO 0.16 -0.22 0.05 -0.83 -1.51 0.00 0.00 177.10 174.76 1i7m s GLY 232 N 1.28 2.88 0.12 0.66 0.00 0.22 -0.58 107.32 111.90 1i7m s GLY 232 Ca -0.07 -0.69 -0.19 0.00 0.00 0.00 0.00 44.72 43.77 1i7m s GLY 232 CO -0.15 -2.06 0.49 0.54 0.00 0.00 0.00 173.10 171.92 1i7m s LYS 234 N -3.81 1.12 0.64 2.90 1.02 -0.82 -1.34 119.74 119.45 1i7m s LYS 234 Ca 0.12 -0.54 0.40 0.00 0.02 0.00 0.00 55.97 55.98 1i7m s LYS 234 Cb 0.02 0.51 2.17 0.00 -0.52 0.00 0.00 37.83 40.01 1i7m s LYS 234 CO 0.07 -0.45 2.22 0.66 -0.92 0.00 0.00 175.35 176.94 1i7m h SER 235 N 2.35 0.00 0.02 2.83 4.64 -1.90 -2.49 113.55 119.00 1i7m h SER 235 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1i7m h SER 235 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1i7m h SER 235 CO 0.43 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.49 1i7m n ASP 236 N -2.96 0.00 0.00 4.97 5.75 -1.26 -4.85 116.55 118.20 1i7m n ASP 236 Ca -0.03 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 1i7m n ASP 236 Cb 0.13 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1i7m n ASP 236 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i7m n GLY 237 N 0.92 0.90 3.72 6.12 0.00 -0.94 -5.06 105.19 110.85 1i7m n GLY 237 Ca 0.23 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1i7m n GLY 237 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i7m s THR 238 N -2.00 4.90 0.26 2.61 2.01 -1.25 -4.95 115.64 117.23 1i7m s THR 238 Ca 0.00 1.79 0.09 0.00 0.31 0.00 0.00 61.69 63.88 1i7m s THR 238 Cb 0.00 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1i7m s THR 238 CO 0.00 0.22 -0.14 -0.72 -0.69 0.00 0.00 174.62 173.29 1i7m s TYR 239 N 0.78 2.04 -0.09 4.92 -0.85 -1.26 -1.95 117.35 120.94 1i7m s TYR 239 Ca 0.45 -0.51 -0.25 0.00 -0.52 0.00 0.00 57.07 56.24 1i7m s TYR 239 Cb -0.20 -1.00 0.06 0.00 0.38 0.00 0.00 41.96 41.20 1i7m s TYR 239 CO 0.24 0.49 0.58 1.67 -1.52 0.00 0.00 175.55 177.00 1i7m s TRP 240 N -2.79 -0.55 -0.04 -3.49 1.48 -0.45 -2.79 118.94 110.31 1i7m s TRP 240 Ca 0.28 1.06 -0.08 0.00 -1.06 0.00 0.00 56.10 56.29 1i7m s TRP 240 Cb -0.01 0.29 0.01 0.00 -1.16 0.00 0.00 33.47 32.61 1i7m s TRP 240 CO 0.12 -0.49 0.19 -0.08 -4.06 0.00 0.00 176.95 172.63 1i7m s THR 241 N -0.85 0.04 -0.02 0.66 -1.32 -0.39 0.72 115.64 114.47 1i7m s THR 241 Ca -0.09 -0.31 0.02 0.00 -1.21 0.00 0.00 61.69 60.10 1i7m s THR 241 Cb -0.02 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1i7m s THR 241 CO 0.06 -0.17 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.60 1i7m s ILE 242 N -0.60 0.68 -0.03 5.08 1.01 -1.26 -1.60 121.20 124.47 1i7m s ILE 242 Ca -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1i7m s ILE 242 Cb -0.04 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.83 1i7m s ILE 242 CO 0.01 0.22 -0.08 -1.00 0.00 0.00 0.00 174.94 174.09 1i7m s HIS 243 N 0.21 0.91 -0.04 3.97 3.76 -1.10 -4.28 115.29 118.73 1i7m s HIS 243 Ca -0.03 -0.25 0.04 0.00 -0.15 0.00 0.00 55.06 54.67 1i7m s HIS 243 Cb -0.08 -0.70 -0.00 0.00 1.11 0.00 0.00 32.58 32.91 1i7m s HIS 243 CO 0.00 -0.14 -0.15 0.42 -0.85 0.00 0.00 174.74 174.02 1i7m s ILE 244 N 0.46 1.25 -0.39 0.60 1.01 0.54 -1.61 121.20 123.06 1i7m s ILE 244 Ca -0.07 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1i7m s ILE 244 Cb -0.11 -1.08 0.12 0.00 0.01 0.00 0.00 42.46 41.40 1i7m s ILE 244 CO 0.01 0.37 0.17 -0.89 0.00 0.00 0.00 174.94 174.59 1i7m s THR 245 N 0.08 1.49 0.32 2.92 2.01 -0.44 -2.27 115.64 119.75 1i7m s THR 245 Ca -0.03 -2.25 0.15 0.00 0.31 0.00 0.00 61.69 59.86 1i7m s THR 245 Cb -0.11 -2.07 0.11 0.00 0.01 0.00 0.00 72.50 70.44 1i7m s THR 245 CO 0.02 -0.78 1.81 1.55 -0.69 0.00 0.00 174.62 176.53 1i7m h PRO 246 N 7.24 0.00 -6.07 4.92 0.13 -1.87 -0.77 132.00 135.58 1i7m h PRO 246 Ca -0.06 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.32 1i7m h PRO 246 Cb 0.96 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.15 1i7m h PRO 246 CO 0.51 0.37 0.11 0.39 -0.23 0.00 0.00 178.00 179.15 1i7m n GLU 247 N -3.88 0.28 0.30 0.86 4.71 -1.26 -4.65 120.64 117.00 1i7m n GLU 247 Ca -0.01 0.10 0.18 0.00 -0.01 0.00 0.00 57.16 57.42 1i7m n GLU 247 Cb 0.43 -1.60 0.92 0.00 -1.01 0.00 0.00 31.44 30.19 1i7m n GLU 247 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1i7m h PRO 248 N 3.20 0.00 -0.03 3.49 0.13 -1.95 -0.64 132.00 136.21 1i7m h PRO 248 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 1i7m h PRO 248 Cb 1.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1i7m h PRO 248 CO 0.67 0.04 -0.55 0.93 -0.23 0.00 0.00 178.00 178.86 1i7m h GLU 249 N 0.00 0.10 -0.70 0.86 3.07 -1.98 -3.36 114.58 112.57 1i7m h GLU 249 Ca -0.00 -0.06 -0.32 0.00 -0.50 0.00 0.00 59.36 58.48 1i7m h GLU 249 Cb 0.23 0.01 -0.32 0.00 -0.84 0.00 0.00 28.75 27.83 1i7m h GLU 249 CO 0.00 0.63 -0.94 1.97 -1.40 0.00 0.00 179.01 179.27 1i7m n PHE 250 N -3.90 0.01 -1.89 4.33 1.16 -1.11 -5.10 117.46 110.97 1i7m n PHE 250 Ca -0.02 -2.53 -0.41 0.00 -1.87 0.00 0.00 57.45 52.62 1i7m n PHE 250 Cb 0.57 0.24 -0.02 0.00 -1.61 0.00 0.00 39.48 38.66 1i7m n PHE 250 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1i7m s SER 251 N -2.52 6.51 -0.24 5.98 1.04 -0.26 -4.79 113.70 119.42 1i7m s SER 251 Ca 0.26 2.81 -0.11 0.00 0.48 0.00 0.00 55.95 59.39 1i7m s SER 251 Cb 0.44 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 64.02 1i7m s SER 251 CO -0.00 -0.81 0.55 -0.47 0.98 0.00 0.00 173.24 173.48 1i7m s TYR 252 N 0.02 -0.93 -0.04 5.02 5.04 -0.30 -3.65 117.35 122.52 1i7m s TYR 252 Ca 0.62 1.81 0.03 0.00 -2.44 0.00 0.00 57.07 57.09 1i7m s TYR 252 Cb -0.45 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.36 1i7m s TYR 252 CO 0.45 -0.49 -0.13 0.08 -1.34 0.00 0.00 175.55 174.12 1i7m s VAL 253 N 1.99 1.15 0.14 3.14 1.01 -1.26 -1.33 120.40 125.23 1i7m s VAL 253 Ca -0.08 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.46 1i7m s VAL 253 Cb -0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1i7m s VAL 253 CO -0.16 0.34 -0.24 -0.94 0.00 0.00 0.00 175.10 174.10 1i7m s SER 254 N 0.20 3.48 -0.03 3.32 1.04 -0.63 -4.50 113.70 116.57 1i7m s SER 254 Ca -0.05 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 1i7m s SER 254 Cb -0.11 -0.30 0.03 0.00 0.10 0.00 0.00 66.02 65.74 1i7m s SER 254 CO 0.02 0.17 0.07 0.12 0.98 0.00 0.00 173.24 174.59 1i7m s PHE 255 N -1.16 -0.03 -0.04 5.02 5.36 -0.91 -2.73 117.98 123.49 1i7m s PHE 255 Ca 0.16 0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 56.33 1i7m s PHE 255 Cb -0.10 -0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.39 1i7m s PHE 255 CO 0.08 -0.12 0.12 -2.00 -1.46 0.00 0.00 175.22 171.83 1i7m s GLU 256 N 1.14 0.20 -0.02 10.12 2.12 -0.63 -0.96 118.70 130.66 1i7m s GLU 256 Ca -0.09 0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.01 1i7m s GLU 256 Cb -0.13 0.09 0.10 0.00 0.26 0.00 0.00 34.13 34.45 1i7m s GLU 256 CO -0.04 -0.03 0.81 -0.08 -0.54 0.00 0.00 175.26 175.38 1i7m s THR 257 N -0.20 0.00 -1.03 -1.70 -1.32 -0.65 -1.27 115.64 109.47 1i7m s THR 257 Ca -0.03 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.62 1i7m s THR 257 Cb -0.02 -1.00 0.60 0.00 -1.51 0.00 0.00 72.50 70.57 1i7m s THR 257 CO 0.00 0.00 1.51 -0.46 -2.21 0.00 0.00 174.62 173.46 1i7m n ASN 258 N 0.22 4.17 -4.48 8.08 2.04 -1.12 -0.61 115.26 123.56 1i7m n ASN 258 Ca -0.13 -2.39 -0.52 0.00 -0.44 0.00 0.00 54.58 51.10 1i7m n ASN 258 Cb 0.60 -0.49 -0.07 0.00 -2.53 0.00 0.00 39.78 37.29 1i7m n ASN 258 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1i7m n LEU 259 N 0.81 2.17 -4.67 -4.53 7.94 -1.26 -4.60 117.00 112.86 1i7m n LEU 259 Ca 0.22 0.54 -0.42 0.00 -1.11 0.00 0.00 56.01 55.23 1i7m n LEU 259 Cb 0.76 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 43.45 1i7m n LEU 259 CO 0.18 -0.66 1.31 -0.55 -1.11 0.00 0.00 177.39 176.56 1i7m s SER 260 N 6.62 6.71 -0.00 1.96 0.15 -1.26 -4.96 113.70 122.93 1i7m s SER 260 Ca 1.08 2.18 0.00 0.00 0.70 0.00 0.00 55.95 59.91 1i7m s SER 260 Cb -0.91 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 60.86 1i7m s SER 260 CO 0.52 -0.88 -0.01 -1.10 1.20 0.00 0.00 173.24 172.97 1i7m s GLN 261 N 3.68 0.06 0.27 5.44 -1.52 -1.26 -5.03 119.66 121.29 1i7m s GLN 261 Ca 0.70 -0.02 -0.01 0.00 -1.95 0.00 0.00 55.36 54.09 1i7m s GLN 261 Cb -0.32 -0.07 0.36 0.00 -0.22 0.00 0.00 33.01 32.77 1i7m s GLN 261 CO 0.28 0.01 1.75 1.79 -0.25 0.00 0.00 175.29 178.87 1i7m h THR 262 N 5.17 1.24 -3.39 -0.19 1.35 -1.84 -3.40 112.91 111.85 1i7m h THR 262 Ca -0.25 -1.08 -0.28 0.00 -0.55 0.00 0.00 66.41 64.25 1i7m h THR 262 Cb 1.20 1.03 -0.33 0.00 -1.73 0.00 0.00 68.15 68.32 1i7m h THR 262 CO 0.51 0.37 -0.67 -0.55 -0.25 0.00 0.00 175.52 174.92 1i7m s SER 263 N -6.71 0.05 0.00 5.36 0.15 -1.26 -4.88 113.70 106.42 1i7m s SER 263 Ca -0.09 0.15 0.14 0.00 0.70 0.00 0.00 55.95 56.86 1i7m s SER 263 Cb 0.14 0.04 0.58 0.00 -1.71 0.00 0.00 66.02 65.07 1i7m s SER 263 CO 0.80 -0.15 1.41 -1.22 1.20 0.00 0.00 173.24 175.29 1i7m n TYR 264 N 4.27 0.19 0.01 3.44 4.01 -1.26 -4.30 117.16 123.53 1i7m n TYR 264 Ca -0.26 -0.10 -0.11 0.00 -0.16 0.00 0.00 57.90 57.28 1i7m n TYR 264 Cb 0.51 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 1i7m n TYR 264 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1i7m h ASP 265 N 1.28 -0.02 0.19 7.72 5.19 -1.97 -0.42 116.42 128.39 1i7m h ASP 265 Ca 0.00 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1i7m h ASP 265 Cb 0.29 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1i7m h ASP 265 CO 0.00 0.00 -0.09 0.44 -3.12 0.00 0.00 179.24 176.47 1i7m h ASP 266 N 0.03 -0.21 -0.55 6.45 5.19 -1.97 -1.49 116.42 123.87 1i7m h ASP 266 Ca 0.03 -0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1i7m h ASP 266 Cb 0.04 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 1i7m h ASP 266 CO -0.05 -0.08 0.35 0.25 -3.12 0.00 0.00 179.24 176.59 1i7m h LEU 267 N -0.33 0.59 0.05 1.55 5.85 -1.82 -0.85 115.31 120.35 1i7m h LEU 267 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1i7m h LEU 267 Cb 0.26 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1i7m h LEU 267 CO 0.04 0.42 -0.05 0.40 -0.34 0.00 0.00 178.44 178.91 1i7m h ILE 268 N 0.70 0.89 -0.81 4.05 2.04 -1.02 -1.10 117.51 122.27 1i7m h ILE 268 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1i7m h ILE 268 Cb -0.03 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1i7m h ILE 268 CO -0.07 0.00 0.52 0.03 0.00 0.00 0.00 178.15 178.63 1i7m h ARG 269 N -0.11 1.07 0.38 2.37 3.08 -0.99 0.92 114.38 121.10 1i7m h ARG 269 Ca 0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1i7m h ARG 269 Cb 0.11 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1i7m h ARG 269 CO -0.02 0.72 -0.18 -0.22 -1.07 0.00 0.00 179.97 179.20 1i7m h LYS 270 N 1.10 -0.49 -0.95 0.04 3.64 -0.88 0.46 116.57 119.48 1i7m h LYS 270 Ca 0.29 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 1i7m h LYS 270 Cb -0.11 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1i7m h LYS 270 CO -0.06 -0.25 0.61 0.28 -2.27 0.00 0.00 179.45 177.76 1i7m h VAL 271 N -0.65 1.08 -0.40 2.00 2.07 -0.82 -2.08 116.25 117.45 1i7m h VAL 271 Ca -0.05 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1i7m h VAL 271 Cb 0.47 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1i7m h VAL 271 CO 0.09 0.20 0.20 0.58 0.02 0.00 0.00 177.57 178.66 1i7m h VAL 272 N 1.11 1.17 -0.17 2.57 2.07 -0.63 -2.84 116.25 119.54 1i7m h VAL 272 Ca 0.41 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1i7m h VAL 272 Cb 0.16 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1i7m h VAL 272 CO -0.17 0.18 -0.06 -0.33 0.02 0.00 0.00 177.57 177.21 1i7m h GLU 273 N 0.51 0.25 -0.10 1.57 5.08 -0.23 0.13 114.58 121.80 1i7m h GLU 273 Ca 0.14 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 1i7m h GLU 273 Cb 0.11 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1i7m h GLU 273 CO -0.02 0.33 -0.81 -0.39 -1.00 0.00 0.00 179.01 177.13 1i7m h VAL 274 N 0.24 1.29 0.00 3.13 -1.51 -1.23 -3.34 116.25 114.84 1i7m h VAL 274 Ca 0.05 -2.03 -0.04 0.00 -1.23 0.00 0.00 66.70 63.45 1i7m h VAL 274 Cb 0.27 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 1i7m h VAL 274 CO 0.01 0.63 -1.28 0.49 -1.23 0.00 0.00 177.57 176.19 1i7m n PHE 275 N -3.97 0.79 -3.49 5.19 3.72 -1.09 -4.97 117.46 113.64 1i7m n PHE 275 Ca -0.09 0.24 -0.18 0.00 -0.05 0.00 0.00 57.45 57.37 1i7m n PHE 275 Cb 0.76 -0.91 0.01 0.00 -0.94 0.00 0.00 39.48 38.40 1i7m n PHE 275 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1i7m n LYS 276 N -2.65 -1.59 -2.05 -1.08 5.02 0.03 -3.86 118.16 111.98 1i7m n LYS 276 Ca -0.03 1.14 -0.30 0.00 -2.02 0.00 0.00 58.31 57.10 1i7m n LYS 276 Cb 0.62 -3.48 0.02 0.00 -0.02 0.00 0.00 35.03 32.17 1i7m n LYS 276 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1i7m s PRO 277 N -3.93 3.38 -0.10 1.97 0.04 -1.26 -0.81 135.00 134.29 1i7m s PRO 277 Ca 0.06 0.53 0.09 0.00 0.04 0.00 0.00 61.00 61.72 1i7m s PRO 277 Cb -0.01 -2.14 -0.24 0.00 0.04 0.00 0.00 34.50 32.16 1i7m s PRO 277 CO 0.84 -0.61 0.44 0.41 0.04 0.00 0.00 177.00 178.13 1i7m n GLY 278 N -2.70 -0.87 3.34 0.56 0.00 0.28 -4.86 105.19 100.94 1i7m n GLY 278 Ca 0.05 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1i7m n GLY 278 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i7m s LYS 279 N -2.57 0.83 0.04 1.61 -2.85 -1.20 -0.81 119.74 114.80 1i7m s LYS 279 Ca -0.11 -0.08 -0.27 0.00 -1.00 0.00 0.00 55.97 54.51 1i7m s LYS 279 Cb 0.07 0.38 0.09 0.00 -2.06 0.00 0.00 37.83 36.31 1i7m s LYS 279 CO 0.80 -0.25 0.78 -0.59 0.10 0.00 0.00 175.35 176.19 1i7m s PHE 280 N -1.48 -0.44 0.10 1.78 -0.12 -0.67 -1.85 117.98 115.30 1i7m s PHE 280 Ca -0.11 0.36 0.07 0.00 -0.05 0.00 0.00 56.93 57.19 1i7m s PHE 280 Cb -0.03 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1i7m s PHE 280 CO 0.05 -0.65 -0.18 0.14 -0.05 0.00 0.00 175.22 174.53 1i7m s VAL 281 N -3.05 1.52 0.11 -2.49 -7.23 -0.32 -0.18 120.40 108.76 1i7m s VAL 281 Ca 0.02 -1.53 0.09 0.00 -1.81 0.00 0.00 61.98 58.75 1i7m s VAL 281 Cb -0.01 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 1i7m s VAL 281 CO -0.08 -0.16 -0.22 0.42 -0.31 0.00 0.00 175.10 174.74 1i7m s THR 282 N -1.37 1.85 -0.02 5.32 -4.23 -0.04 0.21 115.64 117.37 1i7m s THR 282 Ca 0.05 -1.60 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1i7m s THR 282 Cb -0.09 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.07 1i7m s THR 282 CO 0.04 -0.02 -0.10 0.42 -0.54 0.00 0.00 174.62 174.41 1i7m s THR 283 N -1.14 0.83 -0.05 3.99 -4.23 -0.83 -1.83 115.64 112.37 1i7m s THR 283 Ca 0.08 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.15 1i7m s THR 283 Cb -0.10 -0.71 0.04 0.00 1.34 0.00 0.00 72.50 73.07 1i7m s THR 283 CO 0.05 0.24 0.09 -0.22 -0.54 0.00 0.00 174.62 174.24 1i7m s LEU 284 N -0.08 0.19 -0.09 4.79 2.96 -0.05 -1.41 118.68 124.99 1i7m s LEU 284 Ca 0.01 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1i7m s LEU 284 Cb -0.06 0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.61 1i7m s LEU 284 CO -0.00 -0.23 0.02 -0.36 -1.32 0.00 0.00 176.35 174.46 1i7m s PHE 285 N 2.05 3.22 -0.21 5.38 0.08 -0.32 -1.47 117.98 126.71 1i7m s PHE 285 Ca 0.02 0.24 -0.09 0.00 0.12 0.00 0.00 56.93 57.22 1i7m s PHE 285 Cb -0.12 -1.80 0.08 0.00 -0.57 0.00 0.00 43.02 40.60 1i7m s PHE 285 CO -0.04 0.51 0.47 0.08 -0.10 0.00 0.00 175.22 176.14 1i7m s VAL 286 N -0.91 -0.34 0.00 -0.44 1.01 -0.71 -1.84 120.40 117.17 1i7m s VAL 286 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1i7m s VAL 286 Cb -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1i7m s VAL 286 CO 0.03 0.04 0.00 -0.46 0.00 0.00 0.00 175.10 174.71 1i7m n ASN 287 N 4.80 0.00 0.00 3.32 6.94 -0.93 0.10 115.26 129.49 1i7m n ASN 287 Ca -0.16 -0.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 1i7m n ASN 287 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1i7m n ASN 287 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i7m n GLN 288 N -0.91 0.00 0.00 -3.83 3.00 -1.24 -3.15 117.38 111.24 1i7m n GLN 288 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1i7m n GLN 288 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 30.24 29.61 1i7m n GLN 288 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1i7m n SER 289 N -0.21 1.27 -4.69 1.08 7.64 -1.26 -4.86 113.62 112.58 1i7m n SER 289 Ca 0.00 -1.18 -0.42 0.00 1.01 0.00 0.00 58.87 58.28 1i7m n SER 289 Cb 0.00 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 1i7m n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1i7m s SER 290 N 0.41 6.85 0.00 6.43 0.15 -1.19 -4.34 113.70 122.01 1i7m s SER 290 Ca 0.00 2.15 0.00 0.00 0.70 0.00 0.00 55.95 58.80 1i7m s SER 290 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1i7m s SER 290 CO 0.00 -0.70 0.22 0.29 1.20 0.00 0.00 173.24 174.25 1i7m n LYS 291 N 5.07 0.28 -1.03 5.44 5.02 -1.26 -4.98 118.16 126.69 1i7m n LYS 291 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1i7m n LYS 291 Cb 0.43 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1i7m n LYS 291 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i7m n PRO 299 N -0.19 0.60 0.00 0.00 -0.02 -1.26 -4.71 135.00 129.43 1i7m n PRO 299 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1i7m n PRO 299 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1i7m n PRO 299 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i7m n GLN 300 N -4.07 0.00 -4.04 -0.52 1.13 -1.26 -4.70 117.38 103.92 1i7m n GLN 300 Ca -0.52 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.38 1i7m n GLN 300 Cb 0.90 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 31.10 1i7m n GLN 300 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1i7m s LYS 301 N 0.00 0.35 -0.09 -1.09 -2.85 -1.26 -4.99 119.74 109.82 1i7m s LYS 301 Ca 0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 55.97 54.92 1i7m s LYS 301 Cb 0.00 -0.40 0.01 0.00 -2.06 0.00 0.00 37.83 35.38 1i7m s LYS 301 CO 0.00 -0.00 -0.14 0.42 0.10 0.00 0.00 175.35 175.73 1i7m s ILE 302 N 0.35 1.31 0.01 3.79 1.01 -1.26 -5.10 121.20 121.32 1i7m s ILE 302 Ca -0.04 -0.55 -0.38 0.00 0.00 0.00 0.00 60.65 59.69 1i7m s ILE 302 Cb -0.07 -1.20 -0.17 0.00 0.01 0.00 0.00 42.46 41.03 1i7m s ILE 302 CO -0.01 0.40 1.40 -0.62 0.00 0.00 0.00 174.94 176.12 1i7m n GLU 303 N 4.04 1.10 0.00 2.79 -0.58 -1.26 -1.29 120.64 125.44 1i7m n GLU 303 Ca -0.20 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1i7m n GLU 303 Cb 0.51 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 1i7m n GLU 303 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i7m n GLY 304 N 2.79 2.79 3.60 0.62 0.00 -1.26 -5.00 105.19 108.72 1i7m n GLY 304 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1i7m n GLY 304 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i7m s PHE 305 N -2.08 3.17 -0.39 1.61 0.08 -0.41 -1.91 117.98 118.05 1i7m s PHE 305 Ca 0.00 -0.02 -0.19 0.00 0.12 0.00 0.00 56.93 56.84 1i7m s PHE 305 Cb 0.00 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1i7m s PHE 305 CO 0.00 0.15 0.54 0.21 -0.10 0.00 0.00 175.22 176.01 1i7m s LYS 306 N 0.17 3.44 0.07 0.44 2.47 0.99 -4.53 119.74 122.80 1i7m s LYS 306 Ca 0.02 -0.31 -0.31 0.00 -1.56 0.00 0.00 55.97 53.81 1i7m s LYS 306 Cb -0.13 -3.87 -0.06 0.00 -1.46 0.00 0.00 37.83 32.31 1i7m s LYS 306 CO 0.01 -0.78 1.25 0.50 0.16 0.00 0.00 175.35 176.49 1i7m s ARG 307 N 2.47 4.40 -0.20 4.03 3.52 -1.26 -1.49 118.95 130.43 1i7m s ARG 307 Ca 0.19 1.84 -0.16 0.00 -0.13 0.00 0.00 55.73 57.47 1i7m s ARG 307 Cb -0.15 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.81 1i7m s ARG 307 CO 0.15 -0.30 -0.14 1.28 -0.81 0.00 0.00 175.30 175.48 1i7m n LEU 308 N 3.95 1.88 -4.44 -0.88 7.99 0.27 -4.97 117.00 120.81 1i7m n LEU 308 Ca 0.10 0.45 -0.24 0.00 -0.01 0.00 0.00 56.01 56.31 1i7m n LEU 308 Cb 0.45 -0.86 -0.10 0.00 -0.11 0.00 0.00 43.42 42.80 1i7m n LEU 308 CO 0.56 0.01 -0.48 -1.81 -1.51 0.00 0.00 177.39 174.16 1i7m s ASP 309 N -6.47 3.41 -0.29 -1.43 1.01 -1.15 -4.96 116.67 106.79 1i7m s ASP 309 Ca -0.27 -1.00 0.05 0.00 0.71 0.00 0.00 52.55 52.03 1i7m s ASP 309 Cb 0.06 -0.27 0.20 0.00 1.01 0.00 0.00 42.92 43.92 1i7m s ASP 309 CO 0.43 0.02 0.62 0.00 0.21 0.00 0.00 175.17 176.44 1i7m s GLN 311 N 2.84 1.59 0.30 0.00 -0.21 -0.01 -4.98 119.66 119.20 1i7m s GLN 311 Ca 0.11 -0.64 0.10 0.00 0.02 0.00 0.00 55.36 54.95 1i7m s GLN 311 Cb -0.10 -1.48 -0.05 0.00 1.00 0.00 0.00 33.01 32.39 1i7m s GLN 311 CO -0.26 0.34 -0.03 -1.54 -2.12 0.00 0.00 175.29 171.68 1i7m s SER 312 N -0.26 4.21 0.00 5.90 1.04 -1.26 0.52 113.70 123.85 1i7m s SER 312 Ca 0.03 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1i7m s SER 312 Cb -0.09 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1i7m s SER 312 CO 0.00 -0.10 0.00 0.00 0.98 0.00 0.00 173.24 174.12 1i7m n ALA 313 N -0.88 0.00 -3.00 5.32 0.00 0.20 -4.95 120.51 117.20 1i7m n ALA 313 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1i7m n ALA 313 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1i7m n ALA 313 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1i7m n PHE 315 N 0.00 -0.26 -0.34 0.00 3.72 -0.04 -0.00 117.46 120.53 1i7m n PHE 315 Ca 0.00 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.61 1i7m n PHE 315 Cb 0.00 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 38.98 1i7m n PHE 315 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1i7m h ASN 316 N 0.00 0.58 0.00 4.37 4.21 -1.97 -3.37 115.58 119.40 1i7m h ASN 316 Ca 0.00 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1i7m h ASN 316 Cb 0.00 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1i7m h ASN 316 CO 0.00 0.05 0.00 0.47 -1.29 0.00 0.00 177.43 176.66 1i7m n ASP 317 N -4.84 0.00 -4.77 5.81 8.00 -1.26 -5.11 116.55 114.38 1i7m n ASP 317 Ca 0.28 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.40 1i7m n ASP 317 Cb 0.84 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.88 1i7m n ASP 317 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1i7m s TYR 318 N -1.00 3.78 0.21 1.24 2.02 -1.26 -3.73 117.35 118.61 1i7m s TYR 318 Ca 0.00 1.82 -0.01 0.00 -0.37 0.00 0.00 57.07 58.51 1i7m s TYR 318 Cb 0.00 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 1i7m s TYR 318 CO 0.00 0.27 0.41 -0.80 -1.57 0.00 0.00 175.55 173.86 1i7m s ASN 319 N -1.47 6.40 -0.06 2.29 0.01 0.28 -0.86 114.94 121.54 1i7m s ASN 319 Ca 0.47 0.45 -0.07 0.00 -0.71 0.00 0.00 52.86 53.01 1i7m s ASN 319 Cb -0.21 -2.03 0.02 0.00 0.41 0.00 0.00 41.25 39.43 1i7m s ASN 319 CO 0.27 -0.06 0.18 0.12 -1.51 0.00 0.00 177.10 176.10 1i7m s PHE 320 N -1.89 -0.17 -0.00 2.20 5.36 0.99 -1.73 117.98 122.75 1i7m s PHE 320 Ca 0.39 0.41 0.02 0.00 -0.96 0.00 0.00 56.93 56.79 1i7m s PHE 320 Cb -0.11 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.62 1i7m s PHE 320 CO 0.29 -0.13 -0.05 0.54 -1.46 0.00 0.00 175.22 174.41 1i7m s VAL 321 N -0.11 0.40 -0.02 3.12 0.11 -0.54 0.58 120.40 123.93 1i7m s VAL 321 Ca -0.02 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1i7m s VAL 321 Cb -0.02 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1i7m s VAL 321 CO 0.00 0.08 -0.13 0.12 -3.33 0.00 0.00 175.10 171.84 1i7m s PHE 322 N -0.20 1.25 0.05 1.54 5.36 0.18 -0.88 117.98 125.29 1i7m s PHE 322 Ca 0.01 -0.30 0.02 0.00 -0.96 0.00 0.00 56.93 55.70 1i7m s PHE 322 Cb -0.02 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.79 1i7m s PHE 322 CO -0.00 -0.08 -0.07 0.95 -1.46 0.00 0.00 175.22 174.56 1i7m s THR 323 N -0.06 0.50 -0.08 0.12 -4.23 -0.76 -0.83 115.64 110.30 1i7m s THR 323 Ca 0.00 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1i7m s THR 323 Cb -0.08 -0.86 0.02 0.00 1.34 0.00 0.00 72.50 72.92 1i7m s THR 323 CO 0.00 -0.55 -0.06 -0.55 -0.54 0.00 0.00 174.62 172.93 1i7m s SER 324 N -1.98 1.63 0.22 3.99 0.15 -0.62 -0.86 113.70 116.23 1i7m s SER 324 Ca -0.05 -0.21 0.11 0.00 0.70 0.00 0.00 55.95 56.50 1i7m s SER 324 Cb -0.05 -0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 63.56 1i7m s SER 324 CO -0.02 -0.08 -0.20 -0.36 1.20 0.00 0.00 173.24 173.78 1i7m s PHE 325 N 1.32 2.13 0.03 3.44 0.08 0.75 0.98 117.98 126.71 1i7m s PHE 325 Ca -0.04 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 1i7m s PHE 325 Cb -0.14 -0.99 0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1i7m s PHE 325 CO -0.03 0.53 0.31 0.00 -0.10 0.00 0.00 175.22 175.94 1i7m s ALA 326 N -2.23 -0.73 0.48 5.36 0.00 -0.55 -1.67 121.76 122.41 1i7m s ALA 326 Ca 0.24 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 1i7m s ALA 326 Cb -0.05 0.26 -0.07 0.00 0.00 0.00 0.00 23.12 23.25 1i7m s ALA 326 CO 0.11 -0.37 1.41 1.63 0.00 0.00 0.00 175.76 178.54 1i7m n LYS 327 N 0.76 2.10 0.00 0.00 4.76 0.01 -0.01 118.16 125.78 1i7m n LYS 327 Ca -0.19 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 1i7m n LYS 327 Cb 0.59 -2.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 1i7m n LYS 327 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1i7m n LYS 328 N -0.41 0.00 -0.70 1.97 3.00 -0.80 -4.71 118.16 116.51 1i7m n LYS 328 Ca 0.07 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1i7m n LYS 328 Cb 0.42 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.51 1i7m n LYS 328 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44