#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9i n LYS 61 N 0.00 1.57 -2.25 3.69 4.81 -1.26 -5.02 118.16 119.70 1s9i n LYS 61 Ca 0.00 -3.58 -0.37 0.00 -0.87 0.00 0.00 58.31 53.49 1s9i n LYS 61 Cb 0.00 -1.59 -0.01 0.00 0.02 0.00 0.00 35.03 33.46 1s9i n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s9i s ALA 62 N -3.01 2.92 -0.00 3.14 0.00 -1.26 -5.05 121.76 118.50 1s9i s ALA 62 Ca 0.35 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1s9i s ALA 62 Cb 0.41 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.14 1s9i s ALA 62 CO -0.04 -0.69 -0.02 -1.59 0.00 0.00 0.00 175.76 173.42 1s9i s LYS 63 N -2.80 0.22 0.04 0.00 0.00 -1.26 -5.00 119.74 110.94 1s9i s LYS 63 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 55.97 56.54 1s9i s LYS 63 Cb -0.28 -0.22 0.00 0.00 0.00 0.00 0.00 37.83 37.33 1s9i s LYS 63 CO 0.34 0.05 0.00 0.28 0.00 0.00 0.00 175.35 176.01 1s9i n VAL 64 N 3.07 0.21 -1.10 1.79 0.31 -1.26 -5.05 118.33 116.30 1s9i n VAL 64 Ca -0.13 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1s9i n VAL 64 Cb 0.59 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1s9i n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s9i n GLY 65 N 2.60 0.65 3.60 2.92 0.00 -1.26 -5.06 105.19 108.65 1s9i n GLY 65 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1s9i n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s9i s GLU 66 N 0.00 3.81 -0.23 1.61 2.56 -1.26 -4.84 118.70 120.36 1s9i s GLU 66 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 54.97 55.33 1s9i s GLU 66 Cb 0.00 -3.81 -0.04 0.00 2.00 0.00 0.00 34.13 32.28 1s9i s GLU 66 CO 0.00 -0.95 0.42 -0.51 -0.56 0.00 0.00 175.26 173.66 1s9i s LEU 67 N 3.43 4.11 -0.13 2.70 1.02 -1.26 -5.07 118.68 123.49 1s9i s LEU 67 Ca 0.37 0.47 -0.05 0.00 0.02 0.00 0.00 54.13 54.94 1s9i s LEU 67 Cb -0.12 -2.53 -0.04 0.00 0.02 0.00 0.00 46.19 43.53 1s9i s LEU 67 CO 0.19 -0.14 0.05 -0.54 0.02 0.00 0.00 176.35 175.93 1s9i s LYS 68 N 1.67 3.43 0.23 1.70 -0.14 -1.26 -4.99 119.74 120.38 1s9i s LYS 68 Ca 0.19 -0.33 -0.07 0.00 -1.36 0.00 0.00 55.97 54.40 1s9i s LYS 68 Cb -0.15 -3.02 0.37 0.00 -1.68 0.00 0.00 37.83 33.35 1s9i s LYS 68 CO 0.09 0.57 1.75 0.22 -0.76 0.00 0.00 175.35 177.21 1s9i h ASP 69 N 5.66 0.31 0.38 2.83 1.82 -1.97 -1.10 116.42 124.34 1s9i h ASP 69 Ca -0.47 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1s9i h ASP 69 Cb 1.19 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1s9i h ASP 69 CO 0.61 0.16 0.00 0.47 -1.61 0.00 0.00 179.24 178.86 1s9i n ASP 70 N -4.96 0.00 -0.00 2.28 10.43 -1.26 -2.48 116.55 120.56 1s9i n ASP 70 Ca 0.12 -0.17 0.15 0.00 2.57 0.00 0.00 54.79 57.45 1s9i n ASP 70 Cb 0.33 -0.24 0.77 0.00 1.84 0.00 0.00 41.12 43.83 1s9i n ASP 70 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1s9i n ASP 71 N -1.24 0.02 -4.82 -2.24 10.43 -0.42 -4.88 116.55 113.41 1s9i n ASP 71 Ca 0.13 -0.25 -0.31 0.00 2.57 0.00 0.00 54.79 56.93 1s9i n ASP 71 Cb 0.17 -0.25 -0.06 0.00 1.84 0.00 0.00 41.12 42.83 1s9i n ASP 71 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1s9i s PHE 72 N -2.51 3.30 -0.10 1.24 0.40 -1.03 -0.88 117.98 118.39 1s9i s PHE 72 Ca 0.31 0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 1s9i s PHE 72 Cb 0.20 -1.68 0.04 0.00 0.51 0.00 0.00 43.02 42.10 1s9i s PHE 72 CO 0.45 0.55 0.07 -2.00 0.70 0.00 0.00 175.22 174.99 1s9i s GLU 73 N -2.31 -0.00 -0.04 0.44 2.12 -0.73 -4.92 118.70 113.25 1s9i s GLU 73 Ca 0.30 0.18 -0.31 0.00 0.36 0.00 0.00 54.97 55.49 1s9i s GLU 73 Cb -0.12 -1.08 -0.09 0.00 0.26 0.00 0.00 34.13 33.10 1s9i s GLU 73 CO 0.22 -0.47 1.99 -2.13 -0.54 0.00 0.00 175.26 174.33 1s9i n ARG 74 N 5.29 2.54 0.00 4.30 0.63 -1.26 -1.29 116.66 126.86 1s9i n ARG 74 Ca -0.05 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 1s9i n ARG 74 Cb 0.50 -2.92 0.00 0.00 0.45 0.00 0.00 32.46 30.48 1s9i n ARG 74 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1s9i n ILE 75 N 5.74 0.00 -4.41 5.15 5.41 0.61 -4.96 119.36 126.90 1s9i n ILE 75 Ca 0.22 0.27 -0.24 0.00 1.00 0.00 0.00 62.75 64.00 1s9i n ILE 75 Cb 0.38 -1.23 -0.11 0.00 -0.71 0.00 0.00 39.64 37.97 1s9i n ILE 75 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1s9i s SER 76 N -3.15 3.25 0.05 4.38 0.01 -1.09 -5.00 113.70 112.15 1s9i s SER 76 Ca 0.00 -0.93 -0.20 0.00 1.31 0.00 0.00 55.95 56.13 1s9i s SER 76 Cb 0.00 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.93 1s9i s SER 76 CO 0.00 0.04 0.58 -0.70 0.41 0.00 0.00 173.24 173.57 1s9i s GLU 77 N -3.06 4.25 -0.18 12.44 2.56 -1.26 -0.14 118.70 133.31 1s9i s GLU 77 Ca 0.23 0.75 0.16 0.00 0.00 0.00 0.00 54.97 56.11 1s9i s GLU 77 Cb -0.06 -3.27 -0.22 0.00 2.00 0.00 0.00 34.13 32.58 1s9i s GLU 77 CO 0.11 0.55 0.05 1.28 -0.56 0.00 0.00 175.26 176.69 1s9i n LEU 78 N 2.03 0.12 0.00 2.70 4.77 -0.18 -4.80 117.00 121.63 1s9i n LEU 78 Ca -0.09 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1s9i n LEU 78 Cb 0.51 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1s9i n LEU 78 CO 0.42 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1s9i n GLY 79 N 1.89 0.82 3.34 -0.72 0.00 -1.03 -4.97 105.19 104.53 1s9i n GLY 79 Ca -0.30 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 1s9i n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9i s ALA 80 N -1.58 -1.12 0.00 4.61 0.00 -1.26 -0.79 121.76 121.62 1s9i s ALA 80 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1s9i s ALA 80 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1s9i s ALA 80 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1s9i n GLY 81 N -0.26 3.30 4.24 0.00 0.00 -0.94 -5.03 105.19 106.50 1s9i n GLY 81 Ca -0.16 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1s9i n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s9i n ASN 82 N 0.00 -0.88 -1.96 1.61 2.85 -1.26 -3.12 115.26 112.50 1s9i n ASN 82 Ca 0.00 -1.14 -0.01 0.00 -0.11 0.00 0.00 54.58 53.32 1s9i n ASN 82 Cb 0.00 -2.26 0.00 0.00 1.24 0.00 0.00 39.78 38.77 1s9i n ASN 82 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s9i n GLY 83 N -1.87 -0.37 0.00 8.20 0.00 -1.26 -5.02 105.19 104.87 1s9i n GLY 83 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1s9i n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s9i n GLY 84 N -1.27 1.97 2.66 -0.02 0.00 -1.18 -4.69 105.19 102.66 1s9i n GLY 84 Ca -0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1s9i n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s9i s VAL 85 N -1.82 0.23 -0.12 1.61 1.01 -0.42 -2.22 120.40 118.68 1s9i s VAL 85 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1s9i s VAL 85 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1s9i s VAL 85 CO 0.00 -0.37 0.71 -0.69 0.00 0.00 0.00 175.10 174.75 1s9i s VAL 86 N 1.98 5.00 -0.02 2.92 1.01 0.03 -0.92 120.40 130.40 1s9i s VAL 86 Ca 0.03 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1s9i s VAL 86 Cb -0.17 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1s9i s VAL 86 CO -0.15 0.17 -0.14 -0.89 0.00 0.00 0.00 175.10 174.09 1s9i s THR 87 N 1.36 1.10 -0.31 3.92 2.01 0.72 -1.01 115.64 123.43 1s9i s THR 87 Ca 0.36 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 1s9i s THR 87 Cb -0.17 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.42 1s9i s THR 87 CO 0.15 0.32 1.09 -0.75 -0.69 0.00 0.00 174.62 174.74 1s9i s LYS 88 N -0.15 4.07 0.12 4.92 2.20 0.80 -1.18 119.74 130.52 1s9i s LYS 88 Ca 0.02 1.10 0.06 0.00 -0.36 0.00 0.00 55.97 56.78 1s9i s LYS 88 Cb -0.07 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1s9i s LYS 88 CO 0.00 -0.91 -0.13 0.14 -0.36 0.00 0.00 175.35 174.09 1s9i s VAL 89 N 3.68 1.27 -0.08 4.02 -7.23 -0.82 -0.28 120.40 120.96 1s9i s VAL 89 Ca 0.46 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1s9i s VAL 89 Cb -0.13 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 1s9i s VAL 89 CO 0.16 -0.45 -0.14 -1.58 -0.31 0.00 0.00 175.10 172.78 1s9i s GLN 90 N -2.72 2.89 -0.13 4.82 -0.44 -0.41 -1.59 119.66 122.08 1s9i s GLN 90 Ca 0.09 -0.69 -0.21 0.00 -2.50 0.00 0.00 55.36 52.05 1s9i s GLN 90 Cb -0.04 -2.49 -0.03 0.00 -1.64 0.00 0.00 33.01 28.80 1s9i s GLN 90 CO 0.03 0.44 0.61 -1.58 0.50 0.00 0.00 175.29 175.28 1s9i s HIS 91 N -0.25 3.49 0.05 1.67 5.65 -1.16 -1.78 115.29 122.95 1s9i s HIS 91 Ca 0.01 1.03 -0.23 0.00 0.25 0.00 0.00 55.06 56.12 1s9i s HIS 91 Cb -0.13 -2.72 -0.15 0.00 -1.18 0.00 0.00 32.58 28.40 1s9i s HIS 91 CO 0.03 0.03 1.55 -0.09 -0.65 0.00 0.00 174.74 175.60 1s9i h ARG 92 N 6.99 0.09 -1.15 2.88 2.43 -1.38 0.44 114.38 124.67 1s9i h ARG 92 Ca -0.38 -0.02 -0.40 0.00 -0.81 0.00 0.00 59.98 58.37 1s9i h ARG 92 Cb 1.17 -0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 30.51 1s9i h ARG 92 CO 0.76 0.27 0.51 -0.35 -1.51 0.00 0.00 179.97 179.66 1s9i n PRO 93 N -4.93 1.97 0.00 0.20 -0.04 -1.26 -4.03 135.00 126.91 1s9i n PRO 93 Ca -0.07 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1s9i n PRO 93 Cb 0.14 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1s9i n PRO 93 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1s9i n SER 94 N -0.39 0.00 -1.06 3.54 3.41 -1.23 -5.00 113.62 112.88 1s9i n SER 94 Ca 0.41 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.92 1s9i n SER 94 Cb 0.98 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.92 1s9i n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s9i n GLY 95 N -0.35 0.17 3.41 5.00 0.00 0.14 -5.00 105.19 108.57 1s9i n GLY 95 Ca 0.00 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 1s9i n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s9i s LEU 96 N -2.74 4.17 -0.37 0.99 1.43 -1.24 -4.85 118.68 116.07 1s9i s LEU 96 Ca 0.00 -0.63 -0.28 0.00 -1.03 0.00 0.00 54.13 52.19 1s9i s LEU 96 Cb 0.00 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1s9i s LEU 96 CO 0.00 -0.23 1.83 0.27 0.23 0.00 0.00 176.35 178.45 1s9i s ILE 97 N 1.59 3.44 0.45 -0.59 -4.36 -1.26 -3.01 121.20 117.46 1s9i s ILE 97 Ca 0.04 0.43 0.07 0.00 -0.26 0.00 0.00 60.65 60.92 1s9i s ILE 97 Cb -0.17 -3.66 -0.02 0.00 1.25 0.00 0.00 42.46 39.86 1s9i s ILE 97 CO 0.06 -0.46 0.30 0.00 0.24 0.00 0.00 174.94 175.08 1s9i s MET 98 N 5.92 2.34 -0.13 0.37 0.23 -0.62 -4.27 119.30 123.14 1s9i s MET 98 Ca 0.79 -1.78 -0.05 0.00 -1.03 0.00 0.00 55.69 53.62 1s9i s MET 98 Cb -0.21 -2.15 -0.04 0.00 -1.53 0.00 0.00 34.83 30.90 1s9i s MET 98 CO 0.32 -0.27 0.06 0.00 -2.03 0.00 0.00 175.02 173.09 1s9i s ALA 99 N -2.60 3.47 -0.09 3.16 0.00 0.82 -1.93 121.76 124.58 1s9i s ALA 99 Ca 0.41 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1s9i s ALA 99 Cb -0.00 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.38 1s9i s ALA 99 CO 0.24 0.46 -0.20 0.50 0.00 0.00 0.00 175.76 176.76 1s9i s ARG 100 N -0.49 2.58 -0.22 0.00 3.52 -0.32 0.78 118.95 124.79 1s9i s ARG 100 Ca 0.10 -0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 54.92 1s9i s ARG 100 Cb -0.12 -2.02 -0.03 0.00 -1.56 0.00 0.00 34.95 31.22 1s9i s ARG 100 CO 0.02 0.09 0.05 0.21 -0.81 0.00 0.00 175.30 174.86 1s9i s LYS 101 N 0.55 3.69 -0.68 5.12 2.20 -0.16 -0.20 119.74 130.26 1s9i s LYS 101 Ca -0.15 -0.47 -0.19 0.00 -0.36 0.00 0.00 55.97 54.79 1s9i s LYS 101 Cb -0.17 -3.23 0.11 0.00 -1.51 0.00 0.00 37.83 33.03 1s9i s LYS 101 CO 0.05 -0.06 0.84 -0.51 -0.36 0.00 0.00 175.35 175.31 1s9i s LEU 102 N 1.24 5.25 -0.63 5.43 2.01 -0.10 -2.52 118.68 129.36 1s9i s LEU 102 Ca 0.04 -1.56 -0.22 0.00 0.01 0.00 0.00 54.13 52.40 1s9i s LEU 102 Cb -0.15 -2.33 0.07 0.00 0.01 0.00 0.00 46.19 43.79 1s9i s LEU 102 CO 0.03 -1.13 0.92 -0.63 1.01 0.00 0.00 176.35 176.55 1s9i s ILE 103 N 2.75 4.40 -1.33 -0.59 1.09 -0.94 -1.29 121.20 125.29 1s9i s ILE 103 Ca 0.18 -0.32 -0.16 0.00 -1.10 0.00 0.00 60.65 59.25 1s9i s ILE 103 Cb -0.18 -4.63 0.01 0.00 -1.06 0.00 0.00 42.46 36.60 1s9i s ILE 103 CO 0.03 -1.34 2.13 1.57 -0.10 0.00 0.00 174.94 177.22 1s9i n HIS 104 N 7.48 3.38 -2.85 3.97 -0.00 -1.26 -1.87 115.22 124.06 1s9i n HIS 104 Ca -0.04 -2.76 -0.41 0.00 0.46 0.00 0.00 57.72 54.98 1s9i n HIS 104 Cb 0.45 -2.44 -0.04 0.00 -0.12 0.00 0.00 29.99 27.84 1s9i n HIS 104 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1s9i s LEU 105 N 2.41 4.43 0.00 0.27 1.43 -1.26 -4.92 118.68 121.04 1s9i s LEU 105 Ca 0.50 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1s9i s LEU 105 Cb 0.13 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1s9i s LEU 105 CO -0.04 -0.09 0.21 -0.62 0.23 0.00 0.00 176.35 176.04 1s9i n GLU 106 N 3.16 0.00 -1.57 1.70 4.71 -1.26 -4.24 120.64 123.14 1s9i n GLU 106 Ca 0.01 0.00 -0.46 0.00 -0.01 0.00 0.00 57.16 56.70 1s9i n GLU 106 Cb 0.50 -0.64 -0.02 0.00 -1.01 0.00 0.00 31.44 30.27 1s9i n GLU 106 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1s9i n ILE 107 N -0.32 1.79 -2.72 -3.67 0.13 -1.26 -4.95 119.36 108.35 1s9i n ILE 107 Ca 0.00 -0.45 0.01 0.00 -1.10 0.00 0.00 62.75 61.21 1s9i n ILE 107 Cb 0.00 -0.87 0.04 0.00 -0.84 0.00 0.00 39.64 37.97 1s9i n ILE 107 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1s9i n LYS 108 N 0.95 1.22 0.00 9.51 4.81 -1.26 -4.66 118.16 128.73 1s9i n LYS 108 Ca 0.11 -2.94 0.00 0.00 -0.87 0.00 0.00 58.31 54.61 1s9i n LYS 108 Cb 0.30 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.31 1s9i n LYS 108 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1s9i n PRO 109 N -0.35 3.26 0.00 1.64 -0.05 -1.26 -4.84 135.00 133.40 1s9i n PRO 109 Ca 0.05 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.56 1s9i n PRO 109 Cb 0.89 0.00 0.28 0.00 -0.05 0.00 0.00 33.50 34.63 1s9i n PRO 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1s9i n ALA 110 N -3.00 1.61 -0.03 0.55 0.00 -1.26 -2.54 120.51 115.84 1s9i n ALA 110 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 1s9i n ALA 110 Cb 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 1s9i n ALA 110 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1s9i h ILE 111 N 0.00 1.55 -0.87 0.00 1.08 -1.95 -2.27 117.51 115.04 1s9i h ILE 111 Ca 0.00 -1.75 0.19 0.00 -0.39 0.00 0.00 64.86 62.91 1s9i h ILE 111 Cb 0.23 2.68 -0.06 0.00 -3.07 0.00 0.00 36.82 36.59 1s9i h ILE 111 CO 0.00 0.47 0.58 -0.09 -0.69 0.00 0.00 178.15 178.42 1s9i h ARG 112 N -0.59 0.41 0.00 2.37 2.43 -1.76 0.23 114.38 117.47 1s9i h ARG 112 Ca -0.01 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1s9i h ARG 112 Cb 0.82 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1s9i h ARG 112 CO 0.02 0.27 -0.28 -0.97 -1.51 0.00 0.00 179.97 177.50 1s9i h ASN 113 N 0.42 0.00 1.09 -3.80 -0.00 -1.48 -2.84 115.58 108.96 1s9i h ASN 113 Ca 0.45 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.56 1s9i h ASN 113 Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.38 1s9i h ASN 113 CO -0.17 0.28 -0.92 -0.61 -0.00 0.00 0.00 177.43 176.01 1s9i h GLN 114 N 0.00 0.00 0.61 6.67 4.15 0.00 -3.19 115.11 123.36 1s9i h GLN 114 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1s9i h GLN 114 Cb 0.79 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.49 1s9i h GLN 114 CO 0.04 0.85 -0.29 0.82 -1.93 0.00 0.00 178.83 178.32 1s9i h ILE 115 N 0.00 0.34 -0.85 2.39 2.04 -0.94 0.29 117.51 120.79 1s9i h ILE 115 Ca -0.02 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1s9i h ILE 115 Cb 1.69 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1s9i h ILE 115 CO 0.11 0.02 0.49 0.40 0.00 0.00 0.00 178.15 179.17 1s9i h ILE 116 N -0.95 1.24 0.00 -0.67 5.03 -1.70 0.35 117.51 120.81 1s9i h ILE 116 Ca -0.08 -0.56 -0.03 0.00 -0.12 0.00 0.00 64.86 64.07 1s9i h ILE 116 Cb 0.67 0.08 -0.00 0.00 -3.03 0.00 0.00 36.82 34.54 1s9i h ILE 116 CO 0.14 0.26 -0.12 -0.09 -0.68 0.00 0.00 178.15 177.65 1s9i h ARG 117 N 1.17 0.00 0.06 2.37 9.65 -1.51 -2.11 114.38 124.01 1s9i h ARG 117 Ca 0.30 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.91 1s9i h ARG 117 Cb -0.01 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1s9i h ARG 117 CO -0.05 0.12 -1.39 0.93 2.80 0.00 0.00 179.97 182.39 1s9i h GLU 118 N 0.00 0.13 0.00 0.20 5.08 0.77 -3.32 114.58 117.44 1s9i h GLU 118 Ca -0.00 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1s9i h GLU 118 Cb 0.23 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1s9i h GLU 118 CO 0.02 0.97 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.78 1s9i h LEU 119 N 0.04 0.00 -2.01 1.33 3.38 0.30 -3.26 115.31 115.09 1s9i h LEU 119 Ca -0.17 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.95 1s9i h LEU 119 Cb 1.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 1s9i h LEU 119 CO 0.14 0.14 0.39 1.56 0.09 0.00 0.00 178.44 180.76 1s9i h GLN 120 N 0.00 0.00 0.00 1.13 1.08 -1.56 -0.72 115.11 115.04 1s9i h GLN 120 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1s9i h GLN 120 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1s9i h GLN 120 CO 0.02 0.00 0.05 1.33 -0.95 0.00 0.00 178.83 179.28 1s9i n VAL 121 N -4.30 1.42 0.50 -0.54 0.24 -1.23 -1.17 118.33 113.25 1s9i n VAL 121 Ca 0.10 0.40 0.13 0.00 -2.04 0.00 0.00 64.34 62.93 1s9i n VAL 121 Cb 0.61 -1.40 0.43 0.00 -1.47 0.00 0.00 33.84 32.00 1s9i n VAL 121 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1s9i h LEU 122 N 0.00 0.00 -0.49 1.34 3.38 -1.42 -2.64 115.31 115.48 1s9i h LEU 122 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1s9i h LEU 122 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1s9i h LEU 122 CO 0.00 0.00 -0.73 0.45 0.09 0.00 0.00 178.44 178.25 1s9i h HIS 123 N 0.00 0.24 -0.02 1.13 3.86 -1.38 -2.92 115.15 116.05 1s9i h HIS 123 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1s9i h HIS 123 Cb 0.63 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1s9i h HIS 123 CO 0.00 0.84 0.00 0.39 0.86 0.00 0.00 177.93 180.02 1s9i n GLU 124 N -3.75 1.40 -3.04 2.45 4.71 -1.01 -4.70 120.64 116.70 1s9i n GLU 124 Ca -0.03 -0.59 -0.45 0.00 -0.01 0.00 0.00 57.16 56.09 1s9i n GLU 124 Cb 0.71 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.64 1s9i n GLU 124 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1s9i s ASN 126 N 3.36 2.30 -0.16 0.00 0.01 -1.26 -4.90 114.94 114.29 1s9i s ASN 126 Ca 0.23 -0.42 -0.26 0.00 -0.71 0.00 0.00 52.86 51.71 1s9i s ASN 126 Cb -0.12 -0.72 0.07 0.00 0.41 0.00 0.00 41.25 40.88 1s9i s ASN 126 CO -0.03 -0.18 0.66 -0.55 -1.51 0.00 0.00 177.10 175.48 1s9i s SER 127 N 1.78 -0.66 0.00 -1.22 0.15 -1.26 -5.01 113.70 107.48 1s9i s SER 127 Ca 0.03 1.03 0.02 0.00 0.70 0.00 0.00 55.95 57.73 1s9i s SER 127 Cb -0.14 0.98 0.14 0.00 -1.71 0.00 0.00 66.02 65.29 1s9i s SER 127 CO -0.07 -0.40 0.45 -0.81 1.20 0.00 0.00 173.24 173.61 1s9i n PRO 128 N 1.90 0.16 0.00 5.44 -0.04 -1.26 -1.62 135.00 139.58 1s9i n PRO 128 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1s9i n PRO 128 Cb 0.56 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1s9i n PRO 128 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s9i n TYR 129 N -0.74 0.00 -4.43 0.54 0.53 -1.26 -4.52 117.16 107.28 1s9i n TYR 129 Ca 0.02 -0.17 -0.27 0.00 -1.02 0.00 0.00 57.90 56.46 1s9i n TYR 129 Cb 0.01 -0.02 -0.17 0.00 -1.03 0.00 0.00 39.34 38.13 1s9i n TYR 129 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1s9i s ILE 130 N -0.34 1.32 0.31 -0.72 -1.09 -0.64 -1.24 121.20 118.80 1s9i s ILE 130 Ca 0.00 -0.54 -0.29 0.00 -2.23 0.00 0.00 60.65 57.59 1s9i s ILE 130 Cb 0.00 -1.22 -0.13 0.00 -1.58 0.00 0.00 42.46 39.53 1s9i s ILE 130 CO 0.00 0.40 1.35 0.52 -1.23 0.00 0.00 174.94 175.98 1s9i n VAL 131 N 4.17 1.65 -0.60 2.92 0.31 -0.41 -4.53 118.33 121.85 1s9i n VAL 131 Ca -0.19 -0.41 -0.29 0.00 -0.01 0.00 0.00 64.34 63.43 1s9i n VAL 131 Cb 0.51 -1.58 0.22 0.00 -0.91 0.00 0.00 33.84 32.08 1s9i n VAL 131 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1s9i s GLY 132 N -0.09 1.60 -0.19 2.92 0.00 -1.26 -4.85 107.32 105.44 1s9i s GLY 132 Ca 0.59 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 1s9i s GLY 132 CO 0.58 0.75 0.28 -0.12 0.00 0.00 0.00 173.10 174.58 1s9i s PHE 133 N -2.53 -0.46 -0.22 1.90 2.19 -1.26 -2.14 117.98 115.46 1s9i s PHE 133 Ca 0.68 0.61 0.19 0.00 0.33 0.00 0.00 56.93 58.73 1s9i s PHE 133 Cb -0.24 -0.16 0.04 0.00 -1.31 0.00 0.00 43.02 41.34 1s9i s PHE 133 CO 0.62 -0.56 1.20 1.88 1.83 0.00 0.00 175.22 180.20 1s9i h TYR 134 N 8.27 0.00 0.00 10.12 0.05 -1.44 -3.45 116.97 130.52 1s9i h TYR 134 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1s9i h TYR 134 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 1s9i h TYR 134 CO 0.20 0.32 0.00 0.41 -1.05 0.00 0.00 178.16 178.04 1s9i n GLY 135 N 1.24 1.58 3.17 3.88 0.00 -1.20 -4.89 105.19 108.98 1s9i n GLY 135 Ca -0.01 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1s9i n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9i s ALA 136 N -1.56 -0.64 0.10 4.61 0.00 -1.26 -0.48 121.76 122.53 1s9i s ALA 136 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1s9i s ALA 136 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1s9i s ALA 136 CO 0.00 -0.19 0.28 -0.59 0.00 0.00 0.00 175.76 175.26 1s9i s PHE 137 N -0.67 -0.01 -0.10 0.00 -0.71 -0.73 -4.98 117.98 110.79 1s9i s PHE 137 Ca -0.08 -0.37 -0.23 0.00 -1.04 0.00 0.00 56.93 55.22 1s9i s PHE 137 Cb -0.04 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.81 1s9i s PHE 137 CO 0.02 -0.61 0.70 1.52 -1.34 0.00 0.00 175.22 175.51 1s9i s TYR 138 N -3.79 3.53 -0.34 3.49 -0.85 -1.26 -1.11 117.35 117.03 1s9i s TYR 138 Ca 0.04 1.19 0.01 0.00 -0.52 0.00 0.00 57.07 57.79 1s9i s TYR 138 Cb 0.03 -2.81 0.14 0.00 0.38 0.00 0.00 41.96 39.70 1s9i s TYR 138 CO -0.11 0.03 0.29 0.45 -1.52 0.00 0.00 175.55 174.69 1s9i s SER 139 N 0.88 1.91 -0.92 -0.18 0.15 -1.20 -4.92 113.70 109.41 1s9i s SER 139 Ca 0.36 -1.44 -0.07 0.00 0.70 0.00 0.00 55.95 55.50 1s9i s SER 139 Cb -0.17 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 1s9i s SER 139 CO 0.16 -0.33 0.74 0.47 1.20 0.00 0.00 173.24 175.48 1s9i n ASP 140 N 4.61 -6.26 0.00 5.45 10.43 -1.26 -3.53 116.55 125.99 1s9i n ASP 140 Ca 0.06 -0.64 0.00 0.00 2.57 0.00 0.00 54.79 56.78 1s9i n ASP 140 Cb 0.44 -3.92 0.00 0.00 1.84 0.00 0.00 41.12 39.48 1s9i n ASP 140 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s9i n GLY 141 N -1.65 0.91 3.50 0.44 0.00 -1.26 -4.86 105.19 102.27 1s9i n GLY 141 Ca -0.11 0.06 -0.51 0.00 0.00 0.00 0.00 46.02 45.47 1s9i n GLY 141 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s9i n GLU 142 N 0.00 1.25 -2.14 1.61 0.28 -1.23 -4.68 120.64 115.72 1s9i n GLU 142 Ca 0.00 0.37 -0.33 0.00 -0.16 0.00 0.00 57.16 57.04 1s9i n GLU 142 Cb 0.00 -2.49 -0.00 0.00 1.43 0.00 0.00 31.44 30.37 1s9i n GLU 142 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1s9i s ILE 143 N 6.71 4.01 -0.26 3.84 -5.25 -0.78 -3.27 121.20 126.20 1s9i s ILE 143 Ca 1.06 0.96 0.00 0.00 -0.99 0.00 0.00 60.65 61.68 1s9i s ILE 143 Cb -0.83 -3.48 0.07 0.00 2.95 0.00 0.00 42.46 41.18 1s9i s ILE 143 CO 0.50 -0.56 0.01 -0.44 -1.79 0.00 0.00 174.94 172.66 1s9i s SER 144 N -2.87 3.82 -0.30 4.36 0.01 -0.26 -2.22 113.70 116.24 1s9i s SER 144 Ca 0.62 -1.33 -0.22 0.00 1.31 0.00 0.00 55.95 56.34 1s9i s SER 144 Cb -0.14 -1.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 1s9i s SER 144 CO 0.35 -0.31 0.70 -0.63 0.41 0.00 0.00 173.24 173.76 1s9i s ILE 145 N 1.48 4.88 -0.22 1.44 1.01 -1.05 -1.77 121.20 126.96 1s9i s ILE 145 Ca 0.01 1.00 -0.11 0.00 0.00 0.00 0.00 60.65 61.55 1s9i s ILE 145 Cb -0.18 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1s9i s ILE 145 CO -0.11 -0.18 0.18 0.00 0.00 0.00 0.00 174.94 174.82 1s9i s MET 147 N 0.90 0.99 0.04 0.00 0.00 0.23 -1.07 119.30 120.40 1s9i s MET 147 Ca 0.09 -1.46 -0.32 0.00 0.00 0.00 0.00 55.69 54.01 1s9i s MET 147 Cb -0.13 -0.15 -0.10 0.00 0.00 0.00 0.00 34.83 34.45 1s9i s MET 147 CO 0.03 -0.13 1.89 -1.91 0.00 0.00 0.00 175.02 174.91 1s9i n GLU 148 N -0.16 2.64 -2.29 3.16 2.13 -0.91 -0.12 120.64 125.09 1s9i n GLU 148 Ca -0.08 0.96 -0.43 0.00 0.66 0.00 0.00 57.16 58.27 1s9i n GLU 148 Cb 0.63 -2.87 -0.02 0.00 0.27 0.00 0.00 31.44 29.45 1s9i n GLU 148 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1s9i s HIS 149 N 3.68 2.32 -0.64 4.31 5.65 -1.26 -4.65 115.29 124.71 1s9i s HIS 149 Ca 0.87 0.68 -0.22 0.00 0.25 0.00 0.00 55.06 56.65 1s9i s HIS 149 Cb -0.53 -4.21 0.08 0.00 -1.18 0.00 0.00 32.58 26.74 1s9i s HIS 149 CO 0.43 -2.17 0.90 -1.64 -0.65 0.00 0.00 174.74 171.61 1s9i s MET 150 N 4.93 3.09 0.00 2.88 1.00 -1.26 -4.92 119.30 125.02 1s9i s MET 150 Ca 0.64 -0.95 0.14 0.00 0.00 0.00 0.00 55.69 55.52 1s9i s MET 150 Cb -0.16 -4.24 0.70 0.00 0.00 0.00 0.00 34.83 31.14 1s9i s MET 150 CO 0.31 -1.75 1.36 -0.40 0.00 0.00 0.00 175.02 174.55 1s9i n ASP 151 N 7.37 0.00 0.01 3.03 3.85 -1.26 -1.09 116.55 128.45 1s9i n ASP 151 Ca -0.05 0.06 0.11 0.00 -0.71 0.00 0.00 54.79 54.20 1s9i n ASP 151 Cb 0.45 -0.27 0.08 0.00 -1.35 0.00 0.00 41.12 40.03 1s9i n ASP 151 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s9i n GLY 152 N -0.11 -1.17 5.78 6.12 0.00 -0.68 -4.83 105.19 110.31 1s9i n GLY 152 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1s9i n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s9i n GLY 153 N 1.47 -1.97 3.84 -0.02 0.00 -0.25 -4.73 105.19 103.53 1s9i n GLY 153 Ca 0.04 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1s9i n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s9i s SER 154 N -3.80 5.28 0.46 1.61 1.04 -1.26 -1.29 113.70 115.74 1s9i s SER 154 Ca 0.00 1.40 0.20 0.00 0.48 0.00 0.00 55.95 58.03 1s9i s SER 154 Cb 0.00 -2.25 1.12 0.00 0.10 0.00 0.00 66.02 64.99 1s9i s SER 154 CO 0.00 -1.48 1.97 -0.07 0.98 0.00 0.00 173.24 174.64 1s9i h LEU 155 N -0.75 0.00 -1.29 2.42 3.38 -0.53 -1.11 115.31 117.43 1s9i h LEU 155 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1s9i h LEU 155 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1s9i h LEU 155 CO 0.60 0.21 0.32 -0.78 0.09 0.00 0.00 178.44 178.88 1s9i h ASP 156 N 0.00 0.72 -0.29 -0.43 -0.00 -1.82 -1.42 116.42 113.17 1s9i h ASP 156 Ca -0.00 -0.05 -0.15 0.00 -0.00 0.00 0.00 57.03 56.83 1s9i h ASP 156 Cb 0.44 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 1s9i h ASP 156 CO 0.03 0.58 -0.37 1.56 -0.00 0.00 0.00 179.24 181.04 1s9i h GLN 157 N 0.82 0.84 0.00 0.28 4.20 -1.55 -3.05 115.11 116.65 1s9i h GLN 157 Ca 0.21 -0.42 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 1s9i h GLN 157 Cb 0.02 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1s9i h GLN 157 CO -0.03 1.06 -0.51 -0.39 -0.67 0.00 0.00 178.83 178.29 1s9i h VAL 158 N 0.69 1.19 0.00 -0.54 -1.51 -1.13 -2.71 116.25 112.24 1s9i h VAL 158 Ca 0.06 -1.87 -0.06 0.00 -1.23 0.00 0.00 66.70 63.61 1s9i h VAL 158 Cb 0.93 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 32.14 1s9i h VAL 158 CO 0.09 0.50 -0.28 0.25 -1.23 0.00 0.00 177.57 176.90 1s9i h LEU 159 N 0.00 0.00 -0.15 4.19 5.85 -1.17 0.22 115.31 124.25 1s9i h LEU 159 Ca -0.01 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1s9i h LEU 159 Cb 1.02 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.06 1s9i h LEU 159 CO 0.07 0.28 -0.80 0.11 -0.34 0.00 0.00 178.44 177.76 1s9i h LYS 160 N 0.00 0.79 0.17 1.25 1.57 -1.39 -3.33 116.57 115.63 1s9i h LYS 160 Ca -0.00 -0.66 -0.33 0.00 -1.87 0.00 0.00 60.65 57.79 1s9i h LYS 160 Cb 0.51 0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1s9i h LYS 160 CO 0.04 1.26 -1.60 0.93 -0.57 0.00 0.00 179.45 179.51 1s9i h GLU 161 N 0.53 0.35 -7.06 3.15 4.39 -1.43 -3.45 114.58 111.06 1s9i h GLU 161 Ca -0.06 -0.60 -0.48 0.00 0.34 0.00 0.00 59.36 58.56 1s9i h GLU 161 Cb 1.43 0.23 0.05 0.00 -0.10 0.00 0.00 28.75 30.35 1s9i h GLU 161 CO 0.16 1.25 0.15 0.00 -1.16 0.00 0.00 179.01 179.42 1s9i s ALA 162 N -2.60 3.34 0.00 3.43 0.00 0.75 -4.99 121.76 121.70 1s9i s ALA 162 Ca -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1s9i s ALA 162 Cb 0.06 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1s9i s ALA 162 CO 0.87 -0.69 0.00 0.36 0.00 0.00 0.00 175.76 176.30 1s9i n LYS 163 N -2.50 0.00 -4.14 0.00 2.85 -1.26 -4.66 118.16 108.45 1s9i n LYS 163 Ca 0.04 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.08 1s9i n LYS 163 Cb 0.57 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.90 1s9i n LYS 163 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1s9i s ARG 164 N 0.00 2.83 0.05 -1.58 1.04 -1.26 -4.78 118.95 115.25 1s9i s ARG 164 Ca 0.00 -1.11 -0.27 0.00 -1.04 0.00 0.00 55.73 53.31 1s9i s ARG 164 Cb 0.00 -2.50 -0.05 0.00 -2.04 0.00 0.00 34.95 30.36 1s9i s ARG 164 CO 0.00 0.40 0.83 0.42 -0.04 0.00 0.00 175.30 176.91 1s9i s ILE 165 N -2.16 4.69 0.35 4.99 1.01 -0.53 -5.02 121.20 124.53 1s9i s ILE 165 Ca 0.33 1.77 -0.29 0.00 0.00 0.00 0.00 60.65 62.46 1s9i s ILE 165 Cb -0.08 -4.18 -0.11 0.00 0.01 0.00 0.00 42.46 38.10 1s9i s ILE 165 CO 0.24 0.33 1.45 -2.16 0.00 0.00 0.00 174.94 174.81 1s9i s PRO 166 N 0.07 4.18 0.43 2.79 0.04 -1.26 -4.58 135.00 136.68 1s9i s PRO 166 Ca 0.42 2.47 0.30 0.00 0.04 0.00 0.00 61.00 64.22 1s9i s PRO 166 Cb -0.21 -3.01 1.52 0.00 0.04 0.00 0.00 34.50 32.84 1s9i s PRO 166 CO 0.25 -0.45 1.90 1.05 0.04 0.00 0.00 177.00 179.79 1s9i h GLU 167 N 3.43 0.00 0.06 4.56 4.11 -1.96 0.23 114.58 125.01 1s9i h GLU 167 Ca -0.50 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.69 1s9i h GLU 167 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1s9i h GLU 167 CO 0.67 0.00 -1.08 1.05 0.07 0.00 0.00 179.01 179.72 1s9i h GLU 168 N 0.00 0.25 -0.02 1.06 9.09 -2.00 -2.87 114.58 120.09 1s9i h GLU 168 Ca 0.00 -0.35 -0.14 0.00 0.05 0.00 0.00 59.36 58.92 1s9i h GLU 168 Cb 0.11 0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.31 1s9i h GLU 168 CO 0.00 1.11 -0.63 0.82 0.05 0.00 0.00 179.01 180.37 1s9i h ILE 169 N 0.10 1.43 0.00 -1.06 1.08 -1.32 -2.79 117.51 114.95 1s9i h ILE 169 Ca -0.09 -2.11 -0.11 0.00 -0.39 0.00 0.00 64.86 62.16 1s9i h ILE 169 Cb 1.77 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 37.63 1s9i h ILE 169 CO 0.17 0.61 -0.52 -0.07 -0.69 0.00 0.00 178.15 177.65 1s9i h LEU 170 N 0.05 0.00 -0.56 1.44 3.38 -1.51 -1.48 115.31 116.63 1s9i h LEU 170 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1s9i h LEU 170 Cb 1.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1s9i h LEU 170 CO 0.09 0.52 0.31 1.23 0.09 0.00 0.00 178.44 180.68 1s9i h GLY 171 N 1.62 0.80 1.21 0.83 0.00 -1.26 0.93 103.07 107.19 1s9i h GLY 171 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1s9i h GLY 171 CO 0.07 0.16 -0.21 0.50 0.00 0.00 0.00 176.54 177.06 1s9i h LYS 172 N 0.60 0.91 -0.29 4.80 1.79 -1.39 -1.42 116.57 121.57 1s9i h LYS 172 Ca 0.24 -0.38 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1s9i h LYS 172 Cb 0.10 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1s9i h LYS 172 CO -0.14 1.03 0.17 0.28 -1.08 0.00 0.00 179.45 179.71 1s9i h VAL 173 N 0.79 1.12 -0.22 0.50 2.07 -0.74 -2.89 116.25 116.88 1s9i h VAL 173 Ca 0.11 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1s9i h VAL 173 Cb 0.76 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1s9i h VAL 173 CO 0.06 0.12 0.15 0.28 0.02 0.00 0.00 177.57 178.20 1s9i h SER 174 N 0.36 0.17 0.03 0.57 0.02 0.12 -1.62 113.55 113.20 1s9i h SER 174 Ca 0.10 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1s9i h SER 174 Cb 0.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1s9i h SER 174 CO -0.02 0.12 -0.01 0.40 -1.14 0.00 0.00 176.83 176.17 1s9i h ILE 175 N 0.19 1.17 -0.27 3.27 2.04 -1.06 -2.78 117.51 120.07 1s9i h ILE 175 Ca 0.09 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 1s9i h ILE 175 Cb 0.13 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1s9i h ILE 175 CO -0.02 0.16 -0.27 0.00 0.00 0.00 0.00 178.15 178.02 1s9i h ALA 176 N 0.65 1.03 -0.02 1.87 0.00 -1.21 0.12 119.26 121.70 1s9i h ALA 176 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1s9i h ALA 176 Cb 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1s9i h ALA 176 CO 0.01 0.58 0.00 0.28 0.00 0.00 0.00 179.25 180.12 1s9i h VAL 177 N 0.47 1.24 -0.62 0.00 2.07 -1.39 0.33 116.25 118.35 1s9i h VAL 177 Ca 0.06 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1s9i h VAL 177 Cb 0.71 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1s9i h VAL 177 CO 0.05 0.19 0.40 -0.07 0.02 0.00 0.00 177.57 178.16 1s9i h LEU 178 N -0.25 0.68 -0.10 2.57 3.38 -1.36 0.40 115.31 120.64 1s9i h LEU 178 Ca 0.01 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1s9i h LEU 178 Cb 0.30 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1s9i h LEU 178 CO 0.00 0.49 -0.34 0.03 0.09 0.00 0.00 178.44 178.71 1s9i h ARG 179 N 0.81 0.40 -0.51 1.13 3.08 -0.64 0.12 114.38 118.77 1s9i h ARG 179 Ca 0.23 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1s9i h ARG 179 Cb -0.06 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1s9i h ARG 179 CO -0.07 0.93 0.34 0.78 -1.07 0.00 0.00 179.97 180.88 1s9i h GLY 180 N -0.04 0.72 0.67 0.04 0.00 -0.33 0.12 103.07 104.25 1s9i h GLY 180 Ca -0.01 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.08 1s9i h GLY 180 CO 0.07 0.26 -0.01 1.41 0.00 0.00 0.00 176.54 178.27 1s9i h LEU 181 N 0.69 -0.11 -1.21 3.11 4.07 -0.09 -2.43 115.31 119.34 1s9i h LEU 181 Ca 0.19 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.12 1s9i h LEU 181 Cb -0.07 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1s9i h LEU 181 CO -0.05 -0.03 -0.37 0.00 -1.08 0.00 0.00 178.44 176.92 1s9i h ALA 182 N 1.18 1.23 0.42 1.53 0.00 -0.53 -1.54 119.26 121.55 1s9i h ALA 182 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1s9i h ALA 182 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s9i h ALA 182 CO -0.17 0.46 -0.20 -0.92 0.00 0.00 0.00 179.25 178.42 1s9i h TYR 183 N 0.00 -0.52 -0.75 0.00 3.20 -0.39 0.15 116.97 118.66 1s9i h TYR 183 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1s9i h TYR 183 Cb 0.72 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1s9i h TYR 183 CO 0.00 -0.20 0.49 -0.07 -1.64 0.00 0.00 178.16 176.74 1s9i h LEU 184 N -0.85 0.76 -0.35 2.82 3.38 -1.40 -0.24 115.31 119.43 1s9i h LEU 184 Ca -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1s9i h LEU 184 Cb 0.55 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1s9i h LEU 184 CO 0.09 0.52 0.06 -0.09 0.09 0.00 0.00 178.44 179.11 1s9i h ARG 185 N 0.88 0.58 0.00 1.13 1.12 -1.13 -3.13 114.38 113.82 1s9i h ARG 185 Ca 0.30 -0.15 -0.27 0.00 -1.11 0.00 0.00 59.98 58.75 1s9i h ARG 185 Cb 0.10 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 29.95 1s9i h ARG 185 CO -0.09 0.65 -1.59 0.39 -3.11 0.00 0.00 179.97 176.22 1s9i n GLU 186 N -4.58 0.56 0.12 0.20 1.02 0.03 -4.31 120.64 113.68 1s9i n GLU 186 Ca -0.01 0.44 -0.12 0.00 -0.02 0.00 0.00 57.16 57.44 1s9i n GLU 186 Cb 0.22 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 1s9i n GLU 186 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1s9i h LYS 187 N -1.00 -0.34 0.00 3.49 1.79 -1.25 -3.43 116.57 115.83 1s9i h LYS 187 Ca -0.41 0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 57.90 1s9i h LYS 187 Cb 1.30 0.08 0.03 0.00 -1.58 0.00 0.00 32.23 32.06 1s9i h LYS 187 CO -0.25 0.02 0.04 0.72 -1.08 0.00 0.00 179.45 178.90 1s9i n HIS 188 N -5.06 -3.17 -0.17 -1.35 8.25 -1.22 -5.06 115.22 107.45 1s9i n HIS 188 Ca -0.09 -0.72 0.02 0.00 -0.26 0.00 0.00 57.72 56.67 1s9i n HIS 188 Cb 0.26 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 31.12 1s9i n HIS 188 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s9i n GLN 189 N -1.73 2.77 -2.97 -0.41 3.00 -1.21 -4.27 117.38 112.57 1s9i n GLN 189 Ca 0.07 -1.71 -0.30 0.00 -0.01 0.00 0.00 57.00 55.05 1s9i n GLN 189 Cb 0.24 -1.10 -0.03 0.00 0.00 0.00 0.00 30.24 29.34 1s9i n GLN 189 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1s9i s ILE 190 N -1.26 4.82 0.16 5.09 -5.25 -1.19 -4.91 121.20 118.66 1s9i s ILE 190 Ca 0.07 0.56 0.07 0.00 -0.99 0.00 0.00 60.65 60.36 1s9i s ILE 190 Cb 0.05 -3.72 -0.04 0.00 2.95 0.00 0.00 42.46 41.70 1s9i s ILE 190 CO 0.02 -0.45 0.02 0.00 -1.79 0.00 0.00 174.94 172.74 1s9i s MET 191 N -3.69 2.48 0.71 0.37 0.23 -1.26 -3.28 119.30 114.86 1s9i s MET 191 Ca 0.50 -1.05 -0.16 0.00 -1.03 0.00 0.00 55.69 53.95 1s9i s MET 191 Cb -0.10 -2.41 0.03 0.00 -1.53 0.00 0.00 34.83 30.81 1s9i s MET 191 CO 0.29 0.47 1.22 -1.58 -2.03 0.00 0.00 175.02 173.39 1s9i s HIS 192 N -1.69 2.06 -0.06 3.16 2.46 -1.26 -3.68 115.29 116.27 1s9i s HIS 192 Ca 0.28 1.58 0.09 0.00 0.47 0.00 0.00 55.06 57.48 1s9i s HIS 192 Cb -0.10 -3.51 0.14 0.00 -0.13 0.00 0.00 32.58 28.98 1s9i s HIS 192 CO 0.19 -2.65 1.05 0.54 -2.47 0.00 0.00 174.74 171.40 1s9i n ARG 193 N -2.53 0.78 -2.70 2.88 1.74 -1.26 -4.81 116.66 110.76 1s9i n ARG 193 Ca 0.14 -1.79 -0.07 0.00 -0.77 0.00 0.00 57.85 55.36 1s9i n ARG 193 Cb 0.50 -1.02 0.10 0.00 -1.02 0.00 0.00 32.46 31.02 1s9i n ARG 193 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s9i n ASP 194 N -0.74 -1.92 -4.67 0.55 2.03 -1.26 -5.05 116.55 105.48 1s9i n ASP 194 Ca 0.08 -2.70 -0.43 0.00 0.52 0.00 0.00 54.79 52.26 1s9i n ASP 194 Cb 0.64 1.28 -0.02 0.00 -0.72 0.00 0.00 41.12 42.30 1s9i n ASP 194 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1s9i s VAL 195 N 0.19 4.34 -0.16 5.18 1.01 -1.26 -4.81 120.40 124.89 1s9i s VAL 195 Ca 0.20 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 1s9i s VAL 195 Cb 0.33 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.79 1s9i s VAL 195 CO -0.08 -0.07 1.04 -1.59 0.00 0.00 0.00 175.10 174.40 1s9i s LYS 196 N 2.79 0.55 0.32 2.72 -2.85 -1.26 -4.63 119.74 117.38 1s9i s LYS 196 Ca 0.54 0.06 0.11 0.00 -1.00 0.00 0.00 55.97 55.68 1s9i s LYS 196 Cb -0.22 0.26 1.00 0.00 -2.06 0.00 0.00 37.83 36.81 1s9i s LYS 196 CO 0.17 -0.18 1.47 -2.30 0.10 0.00 0.00 175.35 174.61 1s9i n PRO 197 N 0.54 -0.06 0.00 1.78 -0.02 -1.26 0.59 135.00 136.56 1s9i n PRO 197 Ca -0.08 1.34 0.07 0.00 -2.02 0.00 0.00 63.50 62.81 1s9i n PRO 197 Cb 0.58 -2.28 0.34 0.00 -0.02 0.00 0.00 33.50 32.13 1s9i n PRO 197 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s9i n SER 198 N -5.24 0.00 -0.32 2.55 3.41 -1.26 -2.30 113.62 110.46 1s9i n SER 198 Ca 0.29 0.14 0.03 0.00 -0.26 0.00 0.00 58.87 59.08 1s9i n SER 198 Cb 0.98 -0.32 0.05 0.00 -0.26 0.00 0.00 64.21 64.66 1s9i n SER 198 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s9i n ASN 199 N -1.32 1.91 -4.24 4.04 5.03 0.20 -4.82 115.26 116.06 1s9i n ASN 199 Ca 0.06 -1.52 -0.41 0.00 0.87 0.00 0.00 54.58 53.58 1s9i n ASN 199 Cb 0.12 -0.05 -0.08 0.00 -1.02 0.00 0.00 39.78 38.75 1s9i n ASN 199 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1s9i s ILE 200 N -0.72 4.35 -0.08 2.41 1.01 -0.98 -3.07 121.20 124.13 1s9i s ILE 200 Ca 0.10 -1.66 -0.12 0.00 0.00 0.00 0.00 60.65 58.97 1s9i s ILE 200 Cb 0.06 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 1s9i s ILE 200 CO 0.09 -0.72 0.31 -0.76 0.00 0.00 0.00 174.94 173.85 1s9i s LEU 201 N 1.41 4.39 0.34 2.97 1.02 -0.54 -0.71 118.68 127.56 1s9i s LEU 201 Ca 0.05 0.71 0.09 0.00 0.02 0.00 0.00 54.13 55.00 1s9i s LEU 201 Cb -0.26 -2.39 -0.06 0.00 0.02 0.00 0.00 46.19 43.50 1s9i s LEU 201 CO 0.00 0.29 -0.09 0.68 0.02 0.00 0.00 176.35 177.25 1s9i s VAL 202 N -0.64 2.22 0.16 -1.59 -7.23 -0.41 -0.18 120.40 112.72 1s9i s VAL 202 Ca 0.20 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 1s9i s VAL 202 Cb -0.14 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1s9i s VAL 202 CO 0.08 -0.20 0.34 0.54 -0.31 0.00 0.00 175.10 175.55 1s9i s ASN 203 N -3.60 -0.04 0.56 4.85 2.20 -0.96 -1.68 114.94 116.27 1s9i s ASN 203 Ca 0.32 -0.73 0.31 0.00 -0.94 0.00 0.00 52.86 51.82 1s9i s ASN 203 Cb 0.03 0.47 1.65 0.00 -2.00 0.00 0.00 41.25 41.39 1s9i s ASN 203 CO 0.16 -0.92 2.14 0.77 -2.94 0.00 0.00 177.10 176.32 1s9i h SER 204 N 2.47 0.00 0.68 3.54 4.64 -1.91 0.27 113.55 123.24 1s9i h SER 204 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1s9i h SER 204 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1s9i h SER 204 CO 0.46 0.07 0.00 0.03 -0.87 0.00 0.00 176.83 176.52 1s9i h ARG 205 N 0.00 0.00 0.00 4.77 3.08 -1.92 -3.40 114.38 116.91 1s9i h ARG 205 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s9i h ARG 205 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1s9i h ARG 205 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1s9i n GLY 206 N -0.18 0.88 3.82 0.04 0.00 0.94 -4.85 105.19 105.84 1s9i n GLY 206 Ca 0.01 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1s9i n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9i s GLU 207 N -0.55 4.21 -0.20 1.61 2.02 -1.24 -4.75 118.70 119.82 1s9i s GLU 207 Ca 0.00 0.80 -0.00 0.00 0.02 0.00 0.00 54.97 55.79 1s9i s GLU 207 Cb 0.00 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.30 1s9i s GLU 207 CO 0.00 0.44 -0.15 0.42 0.02 0.00 0.00 175.26 175.99 1s9i s ILE 208 N -1.45 2.41 0.39 -1.63 1.01 -1.26 -2.25 121.20 118.42 1s9i s ILE 208 Ca 0.40 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1s9i s ILE 208 Cb -0.17 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1s9i s ILE 208 CO 0.21 0.48 0.09 -0.54 0.00 0.00 0.00 174.94 175.18 1s9i s LYS 209 N 1.33 1.87 -0.02 2.79 1.02 0.75 -4.37 119.74 123.11 1s9i s LYS 209 Ca 0.05 -2.12 0.03 0.00 0.02 0.00 0.00 55.97 53.95 1s9i s LYS 209 Cb -0.14 -0.78 -0.00 0.00 -0.52 0.00 0.00 37.83 36.39 1s9i s LYS 209 CO -0.10 -0.38 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.33 1s9i s LEU 210 N -3.60 1.90 0.00 3.17 1.43 -0.37 -1.46 118.68 119.75 1s9i s LEU 210 Ca 0.26 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1s9i s LEU 210 Cb 0.04 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 1s9i s LEU 210 CO 0.14 0.11 0.14 0.00 0.23 0.00 0.00 176.35 176.97 1s9i n ASP 212 N -2.30 -4.63 -4.82 0.00 8.00 -1.26 -4.93 116.55 106.61 1s9i n ASP 212 Ca 0.03 0.38 -0.33 0.00 0.71 0.00 0.00 54.79 55.59 1s9i n ASP 212 Cb 0.31 -4.14 -0.06 0.00 -0.02 0.00 0.00 41.12 37.21 1s9i n ASP 212 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1s9i s PHE 213 N -2.52 3.27 -1.15 1.24 -0.12 -1.26 -4.68 117.98 112.77 1s9i s PHE 213 Ca 0.00 1.59 -0.21 0.00 -0.05 0.00 0.00 56.93 58.26 1s9i s PHE 213 Cb 0.00 -2.88 0.06 0.00 -0.63 0.00 0.00 43.02 39.57 1s9i s PHE 213 CO 0.00 -0.26 1.59 0.20 -0.05 0.00 0.00 175.22 176.70 1s9i s GLY 214 N -2.25 1.41 -0.05 1.99 0.00 -1.24 -4.78 107.32 102.40 1s9i s GLY 214 Ca 0.62 -2.55 -0.26 0.00 0.00 0.00 0.00 44.72 42.54 1s9i s GLY 214 CO 0.16 2.73 1.14 -2.08 0.00 0.00 0.00 173.10 175.05 1s9i h VAL 215 N 6.24 1.49 -3.58 1.40 2.07 -1.93 -3.43 116.25 118.51 1s9i h VAL 215 Ca 0.31 -1.50 -0.61 0.00 0.82 0.00 0.00 66.70 65.72 1s9i h VAL 215 Cb 0.95 2.47 -0.13 0.00 -1.52 0.00 0.00 31.29 33.06 1s9i h VAL 215 CO 1.44 0.40 -0.22 -0.55 0.02 0.00 0.00 177.57 178.66 1s9i s SER 216 N -5.91 6.35 0.21 0.57 0.15 -1.26 -4.91 113.70 108.90 1s9i s SER 216 Ca -0.16 0.41 -0.10 0.00 0.70 0.00 0.00 55.95 56.80 1s9i s SER 216 Cb 0.01 -2.22 0.15 0.00 -1.71 0.00 0.00 66.02 62.25 1s9i s SER 216 CO 0.69 -0.12 1.86 1.23 1.20 0.00 0.00 173.24 178.10 1s9i h GLY 217 N 8.05 1.08 0.91 9.45 0.00 -1.93 -3.03 103.07 117.60 1s9i h GLY 217 Ca -0.34 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 46.59 1s9i h GLY 217 CO 0.69 0.42 0.47 -1.61 0.00 0.00 0.00 176.54 176.51 1s9i h GLN 218 N 1.03 0.91 -0.52 4.80 5.75 -1.94 -2.21 115.11 122.93 1s9i h GLN 218 Ca 0.27 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 1s9i h GLN 218 Cb -0.07 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.25 1s9i h GLN 218 CO -0.05 0.60 0.14 1.25 -2.65 0.00 0.00 178.83 178.12 1s9i h LEU 219 N 0.94 0.72 0.31 -2.39 6.46 -1.90 -0.48 115.31 118.97 1s9i h LEU 219 Ca 0.29 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1s9i h LEU 219 Cb -0.02 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.72 1s9i h LEU 219 CO -0.09 0.70 -0.15 0.40 -0.62 0.00 0.00 178.44 178.68 1s9i h ILE 220 N 0.76 0.69 0.00 4.05 2.04 -1.44 -2.49 117.51 121.12 1s9i h ILE 220 Ca 0.17 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1s9i h ILE 220 Cb 0.26 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1s9i h ILE 220 CO -0.01 0.11 0.02 0.44 0.00 0.00 0.00 178.15 178.71 1s9i h ASP 221 N -0.75 0.00 0.93 1.72 5.19 -1.24 -0.51 116.42 121.76 1s9i h ASP 221 Ca -0.04 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.19 1s9i h ASP 221 Cb 0.50 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 1s9i h ASP 221 CO 0.07 0.00 -1.15 0.28 -3.12 0.00 0.00 179.24 175.32 1s9i h SER 222 N 0.00 0.00 -4.49 6.45 0.02 -0.88 -3.51 113.55 111.14 1s9i h SER 222 Ca 0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 1s9i h SER 222 Cb 0.03 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.46 1s9i h SER 222 CO 0.00 0.67 -0.40 1.15 -1.14 0.00 0.00 176.83 177.11 1s9i n MET 223 N -3.06 0.46 -4.49 3.45 -0.00 -0.20 -4.95 117.12 108.32 1s9i n MET 223 Ca -0.06 -2.91 -0.22 0.00 -0.00 0.00 0.00 57.70 54.51 1s9i n MET 223 Cb 0.86 2.05 -0.16 0.00 -0.00 0.00 0.00 33.22 35.97 1s9i n MET 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1s9i s VAL 228 N -3.05 0.95 -0.96 3.17 -7.23 -1.26 -4.95 120.40 107.08 1s9i s VAL 228 Ca 0.28 -0.43 -0.00 0.00 -1.81 0.00 0.00 61.98 60.01 1s9i s VAL 228 Cb 0.01 -0.85 0.32 0.00 0.56 0.00 0.00 36.38 36.42 1s9i s VAL 228 CO 0.20 0.30 1.57 0.61 -0.31 0.00 0.00 175.10 177.46 1s9i n GLY 229 N 3.42 5.78 0.26 2.32 0.00 -1.26 -4.71 105.19 111.00 1s9i n GLY 229 Ca -0.20 -2.64 -0.03 0.00 0.00 0.00 0.00 46.02 43.15 1s9i n GLY 229 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s9i h THR 230 N 2.66 1.24 -0.57 2.61 2.02 -2.00 -3.45 112.91 115.43 1s9i h THR 230 Ca 0.38 -1.07 0.22 0.00 0.77 0.00 0.00 66.41 66.71 1s9i h THR 230 Cb 0.43 1.12 -0.26 0.00 -1.74 0.00 0.00 68.15 67.70 1s9i h THR 230 CO 1.15 0.36 0.38 0.00 0.37 0.00 0.00 175.52 177.77 1s9i s ARG 231 N -4.75 0.16 0.18 6.66 1.70 -1.26 -5.02 118.95 116.63 1s9i s ARG 231 Ca -0.08 0.41 -0.06 0.00 -0.47 0.00 0.00 55.73 55.53 1s9i s ARG 231 Cb 0.14 0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.71 1s9i s ARG 231 CO 0.79 -0.06 0.45 0.45 -1.08 0.00 0.00 175.30 175.85 1s9i s SER 232 N 2.26 6.54 -0.06 -2.89 0.15 -1.26 -4.99 113.70 113.44 1s9i s SER 232 Ca -0.01 0.71 0.10 0.00 0.70 0.00 0.00 55.95 57.46 1s9i s SER 232 Cb -0.03 -2.14 0.25 0.00 -1.71 0.00 0.00 66.02 62.39 1s9i s SER 232 CO -0.17 -0.01 1.19 -1.22 1.20 0.00 0.00 173.24 174.23 1s9i n TYR 233 N -0.07 0.31 -2.66 3.44 4.01 -1.26 -5.04 117.16 115.88 1s9i n TYR 233 Ca -0.01 -0.68 -0.39 0.00 -0.16 0.00 0.00 57.90 56.65 1s9i n TYR 233 Cb 0.52 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.38 1s9i n TYR 233 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1s9i s MET 234 N -1.76 4.70 0.47 -0.72 -1.94 -1.26 -4.18 119.30 114.61 1s9i s MET 234 Ca 0.22 1.55 -0.22 0.00 -1.71 0.00 0.00 55.69 55.53 1s9i s MET 234 Cb 0.16 -3.12 -0.08 0.00 2.01 0.00 0.00 34.83 33.80 1s9i s MET 234 CO 0.07 0.35 1.09 0.00 -0.01 0.00 0.00 175.02 176.52 1s9i s ALA 235 N -1.28 2.92 0.26 3.03 0.00 -1.26 -4.87 121.76 120.56 1s9i s ALA 235 Ca 0.45 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 1s9i s ALA 235 Cb -0.26 -3.32 0.53 0.00 0.00 0.00 0.00 23.12 20.07 1s9i s ALA 235 CO 0.33 -0.47 1.66 -1.35 0.00 0.00 0.00 175.76 175.93 1s9i h PRO 236 N 1.88 0.19 0.00 0.00 0.11 -1.86 -0.91 132.00 131.41 1s9i h PRO 236 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1s9i h PRO 236 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1s9i h PRO 236 CO 0.60 0.13 -0.19 1.05 -0.21 0.00 0.00 178.00 179.37 1s9i h GLU 237 N 0.20 0.00 -0.03 1.05 9.09 -1.92 -2.79 114.58 120.18 1s9i h GLU 237 Ca 0.46 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.77 1s9i h GLU 237 Cb 0.84 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.94 1s9i h GLU 237 CO -0.60 0.19 -0.34 -0.09 0.05 0.00 0.00 179.01 178.22 1s9i h ARG 238 N 0.00 0.28 -0.96 1.06 1.12 -1.36 -3.00 114.38 111.52 1s9i h ARG 238 Ca -0.00 -0.27 0.19 0.00 -1.11 0.00 0.00 59.98 58.80 1s9i h ARG 238 Cb 0.87 0.07 -0.09 0.00 -0.01 0.00 0.00 29.97 30.81 1s9i h ARG 238 CO 0.03 0.95 0.61 -0.07 -3.11 0.00 0.00 179.97 178.37 1s9i h LEU 239 N -0.28 0.62 -1.10 3.80 3.38 -1.27 0.38 115.31 120.84 1s9i h LEU 239 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s9i h LEU 239 Cb 1.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1s9i h LEU 239 CO 0.07 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1s9i n GLN 240 N -4.63 0.96 -0.90 1.13 6.02 -1.07 -4.88 117.38 114.00 1s9i n GLN 240 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1s9i n GLN 240 Cb 0.62 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.45 1s9i n GLN 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s9i n GLY 241 N 0.07 0.46 3.72 1.08 0.00 0.13 -5.00 105.19 105.65 1s9i n GLY 241 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s9i n GLY 241 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s9i s THR 242 N -2.25 4.77 0.78 2.61 -4.23 -1.14 -5.00 115.64 111.19 1s9i s THR 242 Ca 0.00 2.05 -0.13 0.00 -1.18 0.00 0.00 61.69 62.43 1s9i s THR 242 Cb 0.00 -4.32 0.07 0.00 1.34 0.00 0.00 72.50 69.59 1s9i s THR 242 CO 0.00 0.20 1.16 -2.28 -0.54 0.00 0.00 174.62 173.17 1s9i s HIS 243 N 0.73 2.07 0.21 3.99 2.46 -1.26 -4.25 115.29 119.24 1s9i s HIS 243 Ca 0.50 1.64 -0.32 0.00 0.47 0.00 0.00 55.06 57.36 1s9i s HIS 243 Cb -0.22 -3.35 -0.12 0.00 -0.13 0.00 0.00 32.58 28.77 1s9i s HIS 243 CO 0.28 -2.45 1.72 -0.47 -2.47 0.00 0.00 174.74 171.35 1s9i s TYR 244 N -2.33 2.90 0.45 3.88 5.04 -1.26 -4.95 117.35 121.09 1s9i s TYR 244 Ca 0.70 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.69 1s9i s TYR 244 Cb -0.25 -4.14 0.02 0.00 0.35 0.00 0.00 41.96 37.93 1s9i s TYR 244 CO 0.50 -4.33 0.13 0.45 -1.34 0.00 0.00 175.55 170.96 1s9i n SER 245 N 3.95 2.95 -0.19 4.32 2.88 -1.26 -5.01 113.62 121.26 1s9i n SER 245 Ca 0.16 -2.81 -0.08 0.00 -1.33 0.00 0.00 58.87 54.81 1s9i n SER 245 Cb 0.35 0.18 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 1s9i n SER 245 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1s9i h VAL 246 N 1.01 1.22 -0.03 2.46 2.07 -1.96 -3.00 116.25 118.01 1s9i h VAL 246 Ca -0.34 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1s9i h VAL 246 Cb 1.10 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1s9i h VAL 246 CO 0.55 0.27 0.04 1.56 0.02 0.00 0.00 177.57 180.01 1s9i h GLN 247 N 0.73 0.00 -0.33 1.57 1.08 -1.89 -1.06 115.11 115.21 1s9i h GLN 247 Ca 0.18 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.28 1s9i h GLN 247 Cb 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1s9i h GLN 247 CO -0.01 0.00 -0.19 0.77 -0.95 0.00 0.00 178.83 178.45 1s9i h SER 248 N 0.00 0.74 -0.80 1.46 0.02 -1.91 -0.81 113.55 112.24 1s9i h SER 248 Ca 0.02 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1s9i h SER 248 Cb 0.10 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1s9i h SER 248 CO -0.00 0.99 0.39 0.44 -1.14 0.00 0.00 176.83 177.52 1s9i h ASP 249 N 0.48 1.04 -0.59 3.07 3.32 -1.29 -1.52 116.42 120.93 1s9i h ASP 249 Ca 0.07 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.03 1s9i h ASP 249 Cb 0.73 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1s9i h ASP 249 CO 0.05 0.87 0.35 0.40 -1.72 0.00 0.00 179.24 179.20 1s9i h ILE 250 N 1.13 1.04 -0.39 0.35 2.04 -1.20 0.20 117.51 120.68 1s9i h ILE 250 Ca 0.28 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1s9i h ILE 250 Cb 0.10 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1s9i h ILE 250 CO -0.04 0.13 0.14 -0.25 0.00 0.00 0.00 178.15 178.13 1s9i h TRP 251 N 0.69 0.61 -0.57 1.37 2.91 -0.89 -1.37 115.95 118.69 1s9i h TRP 251 Ca 0.25 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.25 1s9i h TRP 251 Cb 0.06 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 1s9i h TRP 251 CO -0.06 0.56 0.38 0.77 -1.03 0.00 0.00 178.44 179.05 1s9i h SER 252 N 0.48 0.53 -0.14 2.65 0.02 -0.50 -2.13 113.55 114.46 1s9i h SER 252 Ca 0.13 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1s9i h SER 252 Cb 0.22 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1s9i h SER 252 CO -0.01 0.36 -0.07 -0.03 -1.14 0.00 0.00 176.83 175.94 1s9i h MET 253 N 0.62 0.30 0.29 3.45 1.85 -0.12 -2.05 114.93 119.26 1s9i h MET 253 Ca 0.24 -0.13 -0.00 0.00 -0.61 0.00 0.00 59.70 59.19 1s9i h MET 253 Cb 0.16 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.16 1s9i h MET 253 CO -0.07 0.63 -0.39 0.78 -0.40 0.00 0.00 176.91 177.47 1s9i h GLY 254 N -0.04 -1.15 -0.16 1.39 0.00 -0.81 0.18 103.07 102.47 1s9i h GLY 254 Ca 0.03 0.55 0.21 0.00 0.00 0.00 0.00 47.33 48.12 1s9i h GLY 254 CO 0.02 -0.34 0.35 -2.00 0.00 0.00 0.00 176.54 174.58 1s9i h LEU 255 N -0.70 0.28 -0.61 3.11 5.85 -1.51 0.60 115.31 122.34 1s9i h LEU 255 Ca -0.03 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1s9i h LEU 255 Cb 0.63 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1s9i h LEU 255 CO -0.10 0.00 0.36 0.28 -0.34 0.00 0.00 178.44 178.63 1s9i h SER 256 N 0.39 0.56 0.38 1.25 0.02 -0.85 0.29 113.55 115.59 1s9i h SER 256 Ca 0.53 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.47 1s9i h SER 256 Cb 0.98 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1s9i h SER 256 CO -0.52 0.39 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.30 1s9i h LEU 257 N 0.69 -0.43 -1.28 5.07 3.38 0.14 -1.55 115.31 121.33 1s9i h LEU 257 Ca 0.25 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.28 1s9i h LEU 257 Cb 0.07 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1s9i h LEU 257 CO -0.12 -0.18 0.57 0.58 0.09 0.00 0.00 178.44 179.37 1s9i h VAL 258 N -0.68 0.87 0.47 1.22 2.07 -0.83 0.35 116.25 119.73 1s9i h VAL 258 Ca -0.05 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1s9i h VAL 258 Cb 0.48 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1s9i h VAL 258 CO 0.09 0.13 -0.23 -0.08 0.02 0.00 0.00 177.57 177.50 1s9i h GLU 259 N 0.73 -0.61 0.00 1.57 4.81 -0.79 -0.99 114.58 119.31 1s9i h GLU 259 Ca 0.43 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.63 1s9i h GLU 259 Cb 0.63 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1s9i h GLU 259 CO -0.19 -0.39 -0.33 -0.07 -0.73 0.00 0.00 179.01 177.30 1s9i h LEU 260 N -0.66 0.00 -0.28 1.64 3.38 -0.12 0.32 115.31 119.59 1s9i h LEU 260 Ca -0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1s9i h LEU 260 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1s9i h LEU 260 CO 0.11 0.33 -0.22 0.00 0.09 0.00 0.00 178.44 178.75 1s9i h ALA 261 N 1.67 0.40 0.00 1.53 0.00 -0.29 -1.40 119.26 121.17 1s9i h ALA 261 Ca -0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1s9i h ALA 261 Cb 0.62 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1s9i h ALA 261 CO 0.04 0.36 -1.68 0.28 0.00 0.00 0.00 179.25 178.25 1s9i n VAL 262 N -4.34 0.72 0.00 0.00 0.31 -0.38 -4.46 118.33 110.17 1s9i n VAL 262 Ca -0.04 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1s9i n VAL 262 Cb 0.43 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1s9i n VAL 262 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s9i n GLY 263 N 1.37 0.29 3.30 2.92 0.00 0.11 -4.86 105.19 108.32 1s9i n GLY 263 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 1s9i n GLY 263 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s9i s ARG 264 N -0.96 1.04 -0.02 1.61 1.70 -1.17 -5.00 118.95 116.16 1s9i s ARG 264 Ca 0.00 -0.90 -0.34 0.00 -0.47 0.00 0.00 55.73 54.02 1s9i s ARG 264 Cb 0.00 0.41 -0.12 0.00 -0.57 0.00 0.00 34.95 34.67 1s9i s ARG 264 CO 0.00 -0.38 1.82 0.98 -1.08 0.00 0.00 175.30 176.63 1s9i n TYR 265 N -0.18 2.34 1.08 5.89 9.36 -1.26 -4.38 117.16 130.01 1s9i n TYR 265 Ca -0.13 0.03 0.13 0.00 3.32 0.00 0.00 57.90 61.25 1s9i n TYR 265 Cb 0.63 -2.65 0.43 0.00 -0.63 0.00 0.00 39.34 37.12 1s9i n TYR 265 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1s9i n PRO 266 N 5.93 0.17 -0.25 2.98 -0.05 -1.26 -4.55 135.00 137.98 1s9i n PRO 266 Ca 0.21 -0.07 -0.06 0.00 -0.05 0.00 0.00 63.50 63.53 1s9i n PRO 266 Cb 0.30 -1.50 0.05 0.00 -0.05 0.00 0.00 33.50 32.30 1s9i n PRO 266 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 175.50 176.27 1s9i h ILE 267 N 0.18 1.20 -2.42 0.52 1.08 -1.97 -1.91 117.51 114.20 1s9i h ILE 267 Ca 0.00 -0.46 -0.53 0.00 -0.39 0.00 0.00 64.86 63.48 1s9i h ILE 267 Cb 0.48 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.43 1s9i h ILE 267 CO 0.00 0.21 1.17 -2.84 -0.69 0.00 0.00 178.15 176.00 1s9i s PRO 268 N -5.95 3.06 0.32 2.37 0.02 -1.26 -4.95 135.00 128.62 1s9i s PRO 268 Ca -0.13 0.30 -0.28 0.00 0.02 0.00 0.00 61.00 60.91 1s9i s PRO 268 Cb 0.14 -4.22 -0.10 0.00 0.02 0.00 0.00 34.50 30.34 1s9i s PRO 268 CO 0.78 -2.24 1.21 -2.14 -0.33 0.00 0.00 177.00 174.28 1s9i s PRO 269 N 6.05 4.41 0.05 5.54 0.02 -0.72 -4.96 135.00 145.39 1s9i s PRO 269 Ca 0.52 2.00 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 1s9i s PRO 269 Cb -0.11 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.29 1s9i s PRO 269 CO 0.21 -0.07 1.61 -1.25 -0.33 0.00 0.00 177.00 177.17 1s9i s PRO 270 N -1.75 4.21 0.53 5.54 0.04 -1.26 -5.00 135.00 137.29 1s9i s PRO 270 Ca 0.49 2.27 -0.17 0.00 0.04 0.00 0.00 61.00 63.62 1s9i s PRO 270 Cb -0.35 -3.61 -0.07 0.00 0.04 0.00 0.00 34.50 30.50 1s9i s PRO 270 CO 0.46 -0.71 1.01 0.16 0.04 0.00 0.00 177.00 177.96 1s9i s ASP 271 N 2.36 6.37 0.28 6.66 -4.77 -1.26 -4.76 116.67 121.55 1s9i s ASP 271 Ca 0.72 1.70 -0.01 0.00 -3.30 0.00 0.00 52.55 51.66 1s9i s ASP 271 Cb -0.38 -2.53 0.62 0.00 -1.09 0.00 0.00 42.92 39.55 1s9i s ASP 271 CO 0.31 -0.76 1.46 0.00 0.70 0.00 0.00 175.17 176.88 1s9i n ALA 272 N -1.53 0.40 -0.15 2.11 0.00 -1.26 0.43 120.51 120.50 1s9i n ALA 272 Ca 0.08 1.01 -0.03 0.00 0.00 0.00 0.00 53.44 54.49 1s9i n ALA 272 Cb 0.53 -0.69 0.06 0.00 0.00 0.00 0.00 19.45 19.35 1s9i n ALA 272 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1s9i h LYS 273 N 0.00 0.32 -0.33 0.00 3.64 -2.00 -1.97 116.57 116.22 1s9i h LYS 273 Ca 0.53 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.80 1s9i h LYS 273 Cb 1.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1s9i h LYS 273 CO -0.90 0.21 -0.18 1.49 -2.27 0.00 0.00 179.45 177.81 1s9i h GLU 274 N 0.33 0.61 -0.12 1.90 4.81 -0.38 -2.65 114.58 119.07 1s9i h GLU 274 Ca 0.23 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1s9i h GLU 274 Cb 0.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1s9i h GLU 274 CO -0.24 0.76 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.51 1s9i h LEU 275 N 0.55 0.21 -1.79 1.64 3.38 -0.87 -1.63 115.31 116.80 1s9i h LEU 275 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1s9i h LEU 275 Cb 0.61 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1s9i h LEU 275 CO 0.04 0.44 -0.16 -0.08 0.09 0.00 0.00 178.44 178.77 1s9i h GLU 276 N 0.20 0.00 0.00 1.13 4.81 -1.01 -2.04 114.58 117.67 1s9i h GLU 276 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1s9i h GLU 276 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1s9i h GLU 276 CO 0.03 0.16 -0.33 0.00 -0.73 0.00 0.00 179.01 178.14 1s9i n ALA 277 N -2.35 2.86 -0.10 2.92 0.00 -0.64 -2.02 120.51 121.18 1s9i n ALA 277 Ca -0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.02 1s9i n ALA 277 Cb 0.26 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 1s9i n ALA 277 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1s9i n ILE 278 N -1.80 1.51 -3.10 0.00 5.41 -0.81 -4.76 119.36 115.82 1s9i n ILE 278 Ca 0.05 -0.02 -0.20 0.00 1.00 0.00 0.00 62.75 63.58 1s9i n ILE 278 Cb 0.38 -2.09 -0.04 0.00 -0.71 0.00 0.00 39.64 37.17 1s9i n ILE 278 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1s9i n PHE 279 N -4.45 -0.95 -2.53 1.39 1.16 -0.93 -5.04 117.46 106.10 1s9i n PHE 279 Ca -0.30 -3.21 -0.41 0.00 -1.87 0.00 0.00 57.45 51.67 1s9i n PHE 279 Cb 0.63 0.04 -0.04 0.00 -1.61 0.00 0.00 39.48 38.50 1s9i n PHE 279 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1s9i s GLY 280 N -1.35 2.97 -0.01 4.97 0.00 -0.86 -3.68 107.32 109.37 1s9i s GLY 280 Ca 0.35 0.82 0.02 0.00 0.00 0.00 0.00 44.72 45.90 1s9i s GLY 280 CO -0.13 1.53 0.99 -0.96 0.00 0.00 0.00 173.10 174.52 1s9i n ARG 281 N 1.79 2.67 -1.54 2.90 0.00 -1.26 -5.06 116.66 116.17 1s9i n ARG 281 Ca 0.01 -1.53 -0.39 0.00 -0.00 0.00 0.00 57.85 55.94 1s9i n ARG 281 Cb 0.46 -1.01 -0.06 0.00 -0.00 0.00 0.00 32.46 31.85 1s9i n ARG 281 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1s9i n PRO 282 N -0.55 0.91 -3.64 2.89 -0.02 -1.24 -4.89 135.00 128.46 1s9i n PRO 282 Ca 0.01 0.06 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 1s9i n PRO 282 Cb 0.30 -2.98 -0.14 0.00 -0.02 0.00 0.00 33.50 30.65 1s9i n PRO 282 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s9i s VAL 283 N 10.97 -0.32 0.00 -1.45 1.01 -1.26 -4.82 120.40 124.52 1s9i s VAL 283 Ca 1.07 0.25 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1s9i s VAL 283 Cb -0.45 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1s9i s VAL 283 CO 0.33 0.08 0.00 1.33 0.00 0.00 0.00 175.10 176.84 1s9i n VAL 284 N 5.33 0.00 -3.85 2.92 0.24 -1.26 -5.00 118.33 116.71 1s9i n VAL 284 Ca -0.05 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.89 1s9i n VAL 284 Cb 0.50 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.73 1s9i n VAL 284 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1s9i s ASP 285 N 1.94 4.85 0.00 -1.34 1.01 -1.26 -4.30 116.67 117.57 1s9i s ASP 285 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.36 1s9i s ASP 285 Cb 0.00 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 42.15 1s9i s ASP 285 CO 0.00 -0.20 0.00 0.54 0.21 0.00 0.00 175.17 175.72 1s9i n ARG 313 N 4.76 0.00 -2.42 8.23 1.74 -1.26 -4.42 116.66 123.28 1s9i n ARG 313 Ca -0.15 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.68 1s9i n ARG 313 Cb 0.47 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.94 1s9i n ARG 313 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1s9i s PRO 314 N 0.00 2.73 -0.20 5.56 0.05 -1.26 -5.09 135.00 136.79 1s9i s PRO 314 Ca 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 61.00 60.87 1s9i s PRO 314 Cb 0.00 -2.29 0.01 0.00 0.05 0.00 0.00 34.50 32.27 1s9i s PRO 314 CO 0.00 -0.79 -0.13 0.00 0.05 0.00 0.00 177.00 176.13 1s9i s ALA 315 N -2.99 2.53 0.30 8.56 0.00 -1.26 -5.09 121.76 123.82 1s9i s ALA 315 Ca 0.55 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 1s9i s ALA 315 Cb -0.11 -1.42 -0.16 0.00 0.00 0.00 0.00 23.12 21.43 1s9i s ALA 315 CO 0.44 -0.48 0.41 -1.33 0.00 0.00 0.00 175.76 174.80 1s9i n MET 316 N 4.67 0.17 -1.46 0.00 2.81 -1.26 -4.98 117.12 117.07 1s9i n MET 316 Ca -0.19 0.06 -0.29 0.00 -1.81 0.00 0.00 57.70 55.46 1s9i n MET 316 Cb 0.49 -1.12 0.12 0.00 -0.71 0.00 0.00 33.22 32.01 1s9i n MET 316 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s9i s ALA 317 N -1.29 1.82 0.09 3.04 0.00 -1.26 -4.80 121.76 119.36 1s9i s ALA 317 Ca 0.62 -0.33 -0.35 0.00 0.00 0.00 0.00 51.96 51.90 1s9i s ALA 317 Cb -0.78 -3.09 -0.16 0.00 0.00 0.00 0.00 23.12 19.09 1s9i s ALA 317 CO 0.59 -2.15 1.58 0.82 0.00 0.00 0.00 175.76 176.59 1s9i h ILE 318 N -1.40 0.08 0.50 0.00 5.03 -1.94 -0.37 117.51 119.41 1s9i h ILE 318 Ca -0.50 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.22 1s9i h ILE 318 Cb 1.30 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 35.18 1s9i h ILE 318 CO 0.60 0.00 -0.24 0.15 -0.68 0.00 0.00 178.15 177.97 1s9i h PHE 319 N -0.94 -0.63 -0.73 1.37 3.57 -1.95 -2.69 116.94 114.92 1s9i h PHE 319 Ca -0.05 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.69 1s9i h PHE 319 Cb 0.83 0.21 -0.13 0.00 2.79 0.00 0.00 35.95 39.64 1s9i h PHE 319 CO -0.24 -0.35 0.21 -1.91 -2.23 0.00 0.00 178.31 173.80 1s9i n GLU 320 N -5.34 -0.05 0.25 1.11 2.13 -1.15 -0.64 120.64 116.94 1s9i n GLU 320 Ca -0.12 1.06 -0.12 0.00 0.66 0.00 0.00 57.16 58.64 1s9i n GLU 320 Cb 0.30 -1.79 -0.06 0.00 0.27 0.00 0.00 31.44 30.17 1s9i n GLU 320 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1s9i h LEU 321 N 0.00 -0.58 -0.48 4.31 7.12 -0.74 -2.40 115.31 122.54 1s9i h LEU 321 Ca 0.54 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.53 1s9i h LEU 321 Cb 1.30 0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.55 1s9i h LEU 321 CO -0.63 -0.17 0.29 -0.07 -0.13 0.00 0.00 178.44 177.73 1s9i h LEU 322 N -1.14 0.57 -2.44 2.25 4.07 -1.09 -0.68 115.31 116.85 1s9i h LEU 322 Ca -0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 1s9i h LEU 322 Cb 0.56 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 1s9i h LEU 322 CO 0.11 0.46 -0.00 -0.78 -1.08 0.00 0.00 178.44 177.16 1s9i h ASP 323 N 0.64 0.00 0.13 -0.43 3.58 -0.97 0.30 116.42 119.67 1s9i h ASP 323 Ca 0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 1s9i h ASP 323 Cb -0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1s9i h ASP 323 CO -0.03 0.00 -0.06 0.22 -2.88 0.00 0.00 179.24 176.49 1s9i h TYR 324 N 0.00 -0.17 -0.84 0.28 3.20 -0.68 -2.53 116.97 116.24 1s9i h TYR 324 Ca -0.00 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.04 1s9i h TYR 324 Cb 0.00 0.06 -0.11 0.00 1.54 0.00 0.00 36.73 38.22 1s9i h TYR 324 CO 0.00 0.28 0.37 0.82 -1.64 0.00 0.00 178.16 177.99 1s9i h ILE 325 N -0.90 0.60 0.00 1.81 2.04 0.08 0.18 117.51 121.32 1s9i h ILE 325 Ca -0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1s9i h ILE 325 Cb 0.52 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1s9i h ILE 325 CO 0.03 0.09 0.00 0.52 0.00 0.00 0.00 178.15 178.79 1s9i n VAL 326 N -4.99 0.00 0.10 1.67 0.31 -0.03 -4.52 118.33 110.87 1s9i n VAL 326 Ca 0.18 0.92 -0.05 0.00 -0.01 0.00 0.00 64.34 65.38 1s9i n VAL 326 Cb 0.52 -1.86 0.07 0.00 -0.91 0.00 0.00 33.84 31.66 1s9i n VAL 326 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1s9i h ASN 327 N 0.00 0.14 -3.44 4.52 -0.26 -1.34 -3.45 115.58 111.75 1s9i h ASN 327 Ca 0.00 -0.10 -0.51 0.00 -0.56 0.00 0.00 56.30 55.13 1s9i h ASN 327 Cb 0.00 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1s9i h ASN 327 CO 0.00 0.83 -0.03 -1.61 -1.06 0.00 0.00 177.43 175.56 1s9i s GLU 328 N -3.40 3.72 0.52 0.81 0.41 0.04 -5.05 118.70 115.75 1s9i s GLU 328 Ca -0.02 0.24 -0.21 0.00 -0.41 0.00 0.00 54.97 54.56 1s9i s GLU 328 Cb 0.11 -2.54 -0.07 0.00 -1.78 0.00 0.00 34.13 29.86 1s9i s GLU 328 CO 0.80 0.13 1.09 -0.35 -0.49 0.00 0.00 175.26 176.43 1s9i n PRO 329 N -0.97 1.30 -1.56 0.39 -0.04 -1.26 -4.74 135.00 128.11 1s9i n PRO 329 Ca 0.00 0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 63.61 1s9i n PRO 329 Cb 0.54 -2.24 0.07 0.00 -0.04 0.00 0.00 33.50 31.83 1s9i n PRO 329 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1s9i s PRO 330 N -2.52 2.43 0.77 0.54 0.04 -1.26 -5.00 135.00 129.99 1s9i s PRO 330 Ca 0.70 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 1s9i s PRO 330 Cb -0.46 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.24 1s9i s PRO 330 CO 0.51 -1.57 1.11 -1.25 0.04 0.00 0.00 177.00 175.84 1s9i s PRO 331 N -4.06 2.21 0.08 0.56 0.04 -1.26 -5.06 135.00 127.51 1s9i s PRO 331 Ca 0.70 1.28 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1s9i s PRO 331 Cb -0.24 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1s9i s PRO 331 CO 0.44 -1.70 -0.06 0.15 0.04 0.00 0.00 177.00 175.88 1s9i s LYS 332 N -4.68 0.72 0.17 4.56 1.02 -1.26 -4.96 119.74 115.31 1s9i s LYS 332 Ca 0.63 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1s9i s LYS 332 Cb -0.19 -0.12 -0.07 0.00 -0.52 0.00 0.00 37.83 36.93 1s9i s LYS 332 CO 0.53 -0.03 1.09 -0.51 -0.92 0.00 0.00 175.35 175.51 1s9i s LEU 333 N -2.74 4.49 0.62 3.17 1.02 -1.26 -5.03 118.68 118.95 1s9i s LEU 333 Ca 0.06 2.05 -0.19 0.00 0.02 0.00 0.00 54.13 56.08 1s9i s LEU 333 Cb 0.03 -3.60 -0.02 0.00 0.02 0.00 0.00 46.19 42.62 1s9i s LEU 333 CO -0.05 -0.21 1.31 -2.16 0.02 0.00 0.00 176.35 175.26 1s9i s PRO 334 N -0.28 2.69 0.69 1.29 0.04 -1.26 -4.85 135.00 133.33 1s9i s PRO 334 Ca 0.49 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.52 1s9i s PRO 334 Cb -0.29 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1s9i s PRO 334 CO 0.34 -1.50 1.06 -0.80 0.04 0.00 0.00 177.00 176.14 1s9i s ASN 335 N -1.30 5.51 -0.19 6.66 0.02 -1.26 -4.19 114.94 120.19 1s9i s ASN 335 Ca 0.80 1.44 0.00 0.00 -1.02 0.00 0.00 52.86 54.08 1s9i s ASN 335 Cb -0.38 -2.34 0.00 0.00 0.02 0.00 0.00 41.25 38.55 1s9i s ASN 335 CO 0.41 -1.34 0.00 0.61 0.02 0.00 0.00 177.10 176.81 1s9i n GLY 336 N -2.38 0.18 0.85 0.66 0.00 -1.26 -4.52 105.19 98.72 1s9i n GLY 336 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1s9i n GLY 336 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1s9i n VAL 337 N -2.05 0.22 -4.00 1.61 3.14 -1.26 -4.97 118.33 111.01 1s9i n VAL 337 Ca -0.02 -0.06 -0.28 0.00 -2.96 0.00 0.00 64.34 61.02 1s9i n VAL 337 Cb 0.51 -1.52 -0.05 0.00 -1.06 0.00 0.00 33.84 31.72 1s9i n VAL 337 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1s9i s PHE 338 N -2.07 3.34 0.43 1.45 0.08 -1.26 -5.08 117.98 114.87 1s9i s PHE 338 Ca -0.06 0.10 -0.24 0.00 0.12 0.00 0.00 56.93 56.85 1s9i s PHE 338 Cb 0.02 -1.63 -0.10 0.00 -0.57 0.00 0.00 43.02 40.74 1s9i s PHE 338 CO 0.07 0.53 1.14 0.25 -0.10 0.00 0.00 175.22 177.12 1s9i n THR 339 N -0.09 2.63 0.00 0.64 -2.24 -1.26 -4.77 114.28 109.19 1s9i n THR 339 Ca -0.07 -0.50 0.22 0.00 -2.27 0.00 0.00 64.05 61.43 1s9i n THR 339 Cb 0.53 -1.36 0.73 0.00 -2.10 0.00 0.00 70.33 68.12 1s9i n THR 339 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1s9i h PRO 340 N 1.73 0.00 -0.03 -0.78 0.11 -1.99 -1.21 132.00 129.83 1s9i h PRO 340 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1s9i h PRO 340 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1s9i h PRO 340 CO 0.58 0.00 -0.07 -0.44 -0.21 0.00 0.00 178.00 177.86 1s9i h ASP 341 N 0.00 0.11 -0.89 -2.05 3.45 -1.99 -1.53 116.42 113.52 1s9i h ASP 341 Ca 0.27 -0.61 0.12 0.00 0.43 0.00 0.00 57.03 57.23 1s9i h ASP 341 Cb 1.24 -0.03 -0.08 0.00 -0.56 0.00 0.00 39.33 39.90 1s9i h ASP 341 CO -0.00 0.70 0.52 0.15 -1.57 0.00 0.00 179.24 179.04 1s9i h PHE 342 N -0.48 0.94 0.04 4.55 3.57 -1.69 0.12 116.94 123.99 1s9i h PHE 342 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1s9i h PHE 342 Cb 0.69 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1s9i h PHE 342 CO 0.13 0.35 -0.09 1.96 -2.23 0.00 0.00 178.31 178.43 1s9i h GLN 343 N 0.83 -0.17 -0.29 1.11 4.20 -1.17 -2.06 115.11 117.56 1s9i h GLN 343 Ca 0.45 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.06 1s9i h GLN 343 Cb 0.47 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1s9i h GLN 343 CO -0.28 -0.11 -0.29 1.49 -0.67 0.00 0.00 178.83 178.97 1s9i h GLU 344 N -0.18 0.60 0.41 1.46 4.57 -0.69 -2.28 114.58 118.48 1s9i h GLU 344 Ca 0.02 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1s9i h GLU 344 Cb 0.20 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1s9i h GLU 344 CO -0.07 0.82 -0.47 0.35 -1.18 0.00 0.00 179.01 178.47 1s9i h PHE 345 N 0.52 -1.30 0.00 0.92 3.57 -0.80 -1.05 116.94 118.79 1s9i h PHE 345 Ca 0.07 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1s9i h PHE 345 Cb 0.76 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1s9i h PHE 345 CO 0.03 -0.61 -0.13 -0.39 -2.23 0.00 0.00 178.31 174.98 1s9i h VAL 346 N -0.89 0.89 -0.13 1.41 -1.51 -1.34 -2.01 116.25 112.67 1s9i h VAL 346 Ca -0.05 -0.49 -0.20 0.00 -1.23 0.00 0.00 66.70 64.73 1s9i h VAL 346 Cb 0.79 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1s9i h VAL 346 CO -0.09 0.13 -0.72 0.78 -1.23 0.00 0.00 177.57 176.44 1s9i h ASN 347 N 0.00 0.71 0.37 4.19 4.21 -1.24 -1.31 115.58 122.51 1s9i h ASN 347 Ca -0.00 -0.45 -0.05 0.00 1.21 0.00 0.00 56.30 57.01 1s9i h ASN 347 Cb 0.27 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 1s9i h ASN 347 CO 0.02 1.22 -0.23 0.11 -1.29 0.00 0.00 177.43 177.25 1s9i h LYS 348 N 0.42 0.00 0.00 0.81 1.57 -0.60 -2.18 116.57 116.59 1s9i h LYS 348 Ca -0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1s9i h LYS 348 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1s9i h LYS 348 CO 0.14 0.23 -0.65 0.00 -0.57 0.00 0.00 179.45 178.60 1s9i n LEU 350 N -3.63 6.00 -4.69 0.00 4.77 -0.53 -3.67 117.00 115.24 1s9i n LEU 350 Ca -0.01 -4.54 -0.41 0.00 -0.03 0.00 0.00 56.01 51.03 1s9i n LEU 350 Cb 0.67 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1s9i n LEU 350 CO 0.42 1.83 0.51 -0.63 -1.33 0.00 0.00 177.39 178.19 1s9i s ILE 351 N -4.64 4.96 0.25 -0.08 1.01 -1.16 -4.73 121.20 116.80 1s9i s ILE 351 Ca 0.56 1.55 -0.06 0.00 0.00 0.00 0.00 60.65 62.70 1s9i s ILE 351 Cb 0.45 -4.10 0.25 0.00 0.01 0.00 0.00 42.46 39.08 1s9i s ILE 351 CO 0.02 0.14 1.92 0.11 0.00 0.00 0.00 174.94 177.13 1s9i h LYS 352 N 7.06 1.28 -6.32 2.79 1.57 -1.93 -3.39 116.57 117.64 1s9i h LYS 352 Ca -0.35 -0.08 -0.57 0.00 -1.87 0.00 0.00 60.65 57.78 1s9i h LYS 352 Cb 1.17 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 1s9i h LYS 352 CO 0.79 0.85 1.16 1.21 -0.57 0.00 0.00 179.45 182.89 1s9i s ASN 353 N -6.08 6.23 0.44 0.86 3.04 -1.26 -4.60 114.94 113.57 1s9i s ASN 353 Ca -0.13 1.39 0.16 0.00 0.04 0.00 0.00 52.86 54.33 1s9i s ASN 353 Cb 0.18 -2.53 1.00 0.00 -1.54 0.00 0.00 41.25 38.36 1s9i s ASN 353 CO 0.82 -1.42 1.96 1.55 -3.04 0.00 0.00 177.10 176.96 1s9i h PRO 354 N 11.36 0.00 0.00 0.43 0.13 -1.96 0.05 132.00 142.01 1s9i h PRO 354 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1s9i h PRO 354 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1s9i h PRO 354 CO 1.02 0.23 -0.16 0.00 -0.23 0.00 0.00 178.00 178.86 1s9i h ALA 355 N 1.77 0.93 0.00 -0.56 0.00 -1.93 -3.16 119.26 116.32 1s9i h ALA 355 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1s9i h ALA 355 Cb 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1s9i h ALA 355 CO 0.03 0.20 -1.65 0.39 0.00 0.00 0.00 179.25 178.22 1s9i n GLU 356 N -3.18 0.64 -1.67 0.00 1.02 -0.70 -4.94 120.64 111.80 1s9i n GLU 356 Ca 0.02 -0.08 -0.39 0.00 -0.02 0.00 0.00 57.16 56.70 1s9i n GLU 356 Cb 0.52 -1.63 0.04 0.00 -0.02 0.00 0.00 31.44 30.35 1s9i n GLU 356 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1s9i n ARG 357 N -2.43 1.29 -1.73 3.49 0.63 -0.08 -4.95 116.66 112.89 1s9i n ARG 357 Ca -0.03 0.48 -0.40 0.00 -0.92 0.00 0.00 57.85 56.98 1s9i n ARG 357 Cb 0.58 -2.33 0.02 0.00 0.45 0.00 0.00 32.46 31.18 1s9i n ARG 357 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s9i n ALA 358 N -1.27 1.59 -2.14 5.13 0.00 -0.61 -5.01 120.51 118.20 1s9i n ALA 358 Ca 0.12 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 1s9i n ALA 358 Cb 0.45 -2.32 0.03 0.00 0.00 0.00 0.00 19.45 17.60 1s9i n ALA 358 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1s9i s ASP 359 N -0.59 5.05 0.41 0.00 -4.77 -1.26 -4.87 116.67 110.64 1s9i s ASP 359 Ca 0.63 -0.88 0.14 0.00 -3.30 0.00 0.00 52.55 49.14 1s9i s ASP 359 Cb -0.47 0.10 0.99 0.00 -1.09 0.00 0.00 42.92 42.46 1s9i s ASP 359 CO 0.56 -1.13 1.93 -0.07 0.70 0.00 0.00 175.17 177.16 1s9i h LEU 360 N 0.48 0.44 -0.11 2.11 4.07 -1.96 -2.48 115.31 117.87 1s9i h LEU 360 Ca -0.34 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.57 1s9i h LEU 360 Cb 1.29 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.96 1s9i h LEU 360 CO 0.47 0.24 -0.19 0.50 -1.08 0.00 0.00 178.44 178.38 1s9i h LYS 361 N 0.48 0.33 -0.46 1.13 3.64 -1.99 -1.77 116.57 117.93 1s9i h LYS 361 Ca 0.36 -0.20 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1s9i h LYS 361 Cb 0.73 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1s9i h LYS 361 CO -0.12 0.79 0.12 0.52 -2.27 0.00 0.00 179.45 178.49 1s9i h MET 362 N -0.10 0.26 -0.38 1.90 2.86 -1.85 -2.27 114.93 115.36 1s9i h MET 362 Ca 0.01 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1s9i h MET 362 Cb 0.77 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1s9i h MET 362 CO 0.04 0.17 -0.24 -0.07 1.06 0.00 0.00 176.91 177.88 1s9i h LEU 363 N 0.27 0.86 -1.01 1.22 3.38 -1.45 -1.44 115.31 117.14 1s9i h LEU 363 Ca 0.22 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1s9i h LEU 363 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1s9i h LEU 363 CO -0.27 1.10 -0.26 0.74 0.09 0.00 0.00 178.44 179.85 1s9i h THR 364 N 0.63 1.26 -0.11 0.22 2.02 -1.24 -2.52 112.91 113.16 1s9i h THR 364 Ca 0.08 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1s9i h THR 364 Cb 0.81 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1s9i h THR 364 CO 0.07 0.39 0.00 0.59 0.37 0.00 0.00 175.52 176.93 1s9i n ASN 365 N -4.13 1.62 -4.77 4.18 4.13 -0.86 -4.55 115.26 110.88 1s9i n ASN 365 Ca -0.01 -1.63 -0.39 0.00 1.68 0.00 0.00 54.58 54.23 1s9i n ASN 365 Cb 0.40 -0.07 -0.00 0.00 -1.54 0.00 0.00 39.78 38.57 1s9i n ASN 365 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1s9i s HIS 366 N -1.87 2.80 0.56 3.10 2.46 -0.55 -4.81 115.29 116.98 1s9i s HIS 366 Ca 0.34 1.44 0.29 0.00 0.47 0.00 0.00 55.06 57.60 1s9i s HIS 366 Cb 0.19 -3.61 1.75 0.00 -0.13 0.00 0.00 32.58 30.77 1s9i s HIS 366 CO 0.29 -2.00 2.23 0.00 -2.47 0.00 0.00 174.74 172.79 1s9i h THR 367 N 2.26 0.56 -0.43 0.89 1.03 -1.90 0.24 112.91 115.57 1s9i h THR 367 Ca -0.50 -0.08 -0.08 0.00 -0.01 0.00 0.00 66.41 65.74 1s9i h THR 367 Cb 1.25 1.05 -0.02 0.00 -1.07 0.00 0.00 68.15 69.36 1s9i h THR 367 CO 0.62 0.02 -0.07 0.15 -0.01 0.00 0.00 175.52 176.22 1s9i h PHE 368 N 0.00 0.82 0.14 0.00 3.04 -1.91 0.39 116.94 119.42 1s9i h PHE 368 Ca -0.00 -0.13 -0.29 0.00 3.98 0.00 0.00 57.97 61.52 1s9i h PHE 368 Cb 0.05 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.35 1s9i h PHE 368 CO 0.00 0.80 -1.39 0.82 -2.02 0.00 0.00 178.31 176.52 1s9i h ILE 369 N 0.69 1.33 0.31 1.41 1.08 -1.43 -2.28 117.51 118.63 1s9i h ILE 369 Ca 0.12 -2.91 -0.02 0.00 -0.39 0.00 0.00 64.86 61.67 1s9i h ILE 369 Cb 0.53 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.17 1s9i h ILE 369 CO 0.03 0.85 -0.15 0.11 -0.69 0.00 0.00 178.15 178.31 1s9i h LYS 370 N 0.08 -0.40 -0.95 2.37 1.57 -0.94 -2.13 116.57 116.16 1s9i h LYS 370 Ca -0.19 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1s9i h LYS 370 Cb 2.01 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 34.35 1s9i h LYS 370 CO 0.20 -0.24 0.61 -0.09 -0.57 0.00 0.00 179.45 179.36 1s9i h ARG 371 N -0.46 0.98 0.00 3.15 2.43 -1.01 -2.08 114.38 117.39 1s9i h ARG 371 Ca -0.04 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1s9i h ARG 371 Cb 0.35 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1s9i h ARG 371 CO 0.07 0.65 -0.13 0.77 -1.51 0.00 0.00 179.97 179.82 1s9i h SER 372 N 1.01 0.00 0.03 -3.80 0.02 -1.20 -2.54 113.55 107.07 1s9i h SER 372 Ca 0.44 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.32 1s9i h SER 372 Cb 0.34 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1s9i h SER 372 CO -0.19 0.13 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.03 1s9i h GLU 373 N 0.00 0.12 -0.32 3.45 5.08 -0.69 -3.36 114.58 118.86 1s9i h GLU 373 Ca -0.00 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1s9i h GLU 373 Cb 0.64 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1s9i h GLU 373 CO 0.02 1.02 -0.39 -0.39 -1.00 0.00 0.00 179.01 178.27 1s9i h VAL 374 N -0.69 1.28 -0.35 3.13 -1.51 -1.49 -3.36 116.25 113.26 1s9i h VAL 374 Ca -0.04 -1.56 -0.70 0.00 -1.23 0.00 0.00 66.70 63.17 1s9i h VAL 374 Cb 1.13 1.45 -0.06 0.00 -2.13 0.00 0.00 31.29 31.68 1s9i h VAL 374 CO 0.05 0.51 2.77 -1.84 -1.23 0.00 0.00 177.57 177.83 1s9i n GLU 375 N -4.05 2.99 -1.67 5.19 0.28 -0.96 -4.93 120.64 117.49 1s9i n GLU 375 Ca -0.02 -2.87 -0.47 0.00 -0.16 0.00 0.00 57.16 53.64 1s9i n GLU 375 Cb 0.53 -3.36 -0.04 0.00 1.43 0.00 0.00 31.44 30.00 1s9i n GLU 375 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1s9i n GLU 376 N 6.88 2.25 -4.94 3.44 4.07 -1.26 -4.94 120.64 126.15 1s9i n GLU 376 Ca 0.51 0.82 -0.26 0.00 -0.06 0.00 0.00 57.16 58.16 1s9i n GLU 376 Cb 0.41 -2.70 -0.16 0.00 -0.06 0.00 0.00 31.44 28.93 1s9i n GLU 376 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1s9i s VAL 377 N 4.31 1.53 -0.89 6.31 -7.23 -1.26 -5.07 120.40 118.10 1s9i s VAL 377 Ca 0.93 -0.82 -0.25 0.00 -1.81 0.00 0.00 61.98 60.03 1s9i s VAL 377 Cb -0.65 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 1s9i s VAL 377 CO 0.50 0.43 1.97 -0.62 -0.31 0.00 0.00 175.10 177.08 1s9i s ASP 378 N -0.37 5.07 0.20 4.85 2.15 -1.26 -4.77 116.67 122.54 1s9i s ASP 378 Ca 0.05 -0.60 -0.03 0.00 0.43 0.00 0.00 52.55 52.41 1s9i s ASP 378 Cb -0.08 -2.56 0.15 0.00 -0.30 0.00 0.00 42.92 40.13 1s9i s ASP 378 CO -0.00 -2.80 1.54 0.15 -0.17 0.00 0.00 175.17 173.89 1s9i h PHE 379 N 11.50 0.70 -0.58 -5.34 3.04 -1.97 -1.98 116.94 122.31 1s9i h PHE 379 Ca 0.08 -0.23 -0.09 0.00 3.98 0.00 0.00 57.97 61.71 1s9i h PHE 379 Cb 1.01 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 1s9i h PHE 379 CO 1.21 0.95 -0.01 0.00 -2.02 0.00 0.00 178.31 178.44 1s9i h ALA 380 N 1.01 0.78 -0.31 2.41 0.00 -1.86 0.17 119.26 121.46 1s9i h ALA 380 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1s9i h ALA 380 Cb 1.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1s9i h ALA 380 CO 0.09 0.62 -0.00 0.78 0.00 0.00 0.00 179.25 180.74 1s9i h GLY 381 N 0.91 0.60 0.65 0.00 0.00 -1.91 -1.05 103.07 102.27 1s9i h GLY 381 Ca 0.16 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1s9i h GLY 381 CO 0.03 0.41 -0.01 -0.25 0.00 0.00 0.00 176.54 176.72 1s9i h TRP 382 N 0.35 -0.02 -0.37 5.60 7.01 -1.32 -1.53 115.95 125.68 1s9i h TRP 382 Ca 0.09 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.15 1s9i h TRP 382 Cb 0.44 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.46 1s9i h TRP 382 CO 0.04 0.33 0.06 1.25 -2.79 0.00 0.00 178.44 177.32 1s9i h LEU 383 N -0.37 -0.03 -0.46 0.65 7.12 -0.66 -1.98 115.31 119.59 1s9i h LEU 383 Ca -0.00 0.07 -0.16 0.00 0.13 0.00 0.00 57.88 57.92 1s9i h LEU 383 Cb 0.35 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1s9i h LEU 383 CO 0.00 0.02 -0.42 0.00 -0.13 0.00 0.00 178.44 177.91 1s9i h LYS 385 N 0.66 0.18 -0.00 0.00 1.79 -1.03 -0.09 116.57 118.07 1s9i h LYS 385 Ca 0.05 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1s9i h LYS 385 Cb 0.99 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1s9i h LYS 385 CO 0.10 0.82 -0.33 0.25 -1.08 0.00 0.00 179.45 179.20 1s9i n THR 386 N -3.76 0.00 0.18 -0.16 -2.24 -0.76 -3.86 114.28 103.68 1s9i n THR 386 Ca -0.03 -0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.77 1s9i n THR 386 Cb 0.70 0.05 0.04 0.00 -2.10 0.00 0.00 70.33 69.02 1s9i n THR 386 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s9i n LEU 387 N -1.41 1.72 -3.98 3.22 4.32 -1.08 -4.51 117.00 115.28 1s9i n LEU 387 Ca 0.07 -1.20 -0.27 0.00 -0.02 0.00 0.00 56.01 54.59 1s9i n LEU 387 Cb 0.33 -0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.09 1s9i n LEU 387 CO 0.32 0.38 -0.18 0.54 -1.22 0.00 0.00 177.39 177.22 1s9i n ARG 388 N 0.29 -3.47 0.00 3.23 5.12 -0.30 -4.89 116.66 116.64 1s9i n ARG 388 Ca 0.04 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 1s9i n ARG 388 Cb 0.19 -4.69 0.00 0.00 -1.16 0.00 0.00 32.46 26.81 1s9i n ARG 388 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1s9i n LEU 389 N -4.41 1.22 -3.79 0.55 7.94 -0.20 -5.05 117.00 113.25 1s9i n LEU 389 Ca -0.24 -1.22 -0.51 0.00 -1.11 0.00 0.00 56.01 52.94 1s9i n LEU 389 Cb 0.65 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.49 1s9i n LEU 389 CO 0.76 0.30 1.59 -0.46 -1.11 0.00 0.00 177.39 178.48 1s9i n ASN 390 N -0.11 0.61 -4.16 1.96 0.23 -1.24 -4.94 115.26 107.61 1s9i n ASN 390 Ca 0.00 0.54 -0.12 0.00 -0.53 0.00 0.00 54.58 54.47 1s9i n ASN 390 Cb 0.06 -0.80 -0.10 0.00 -2.08 0.00 0.00 39.78 36.86 1s9i n ASN 390 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1s9i s GLN 391 N 5.69 0.80 -0.62 -3.83 -1.52 -1.26 -5.05 119.66 113.87 1s9i s GLN 391 Ca 1.08 -1.20 -0.11 0.00 -1.95 0.00 0.00 55.36 53.19 1s9i s GLN 391 Cb -1.30 -0.34 -0.10 0.00 -0.22 0.00 0.00 33.01 31.06 1s9i s GLN 391 CO 0.56 0.03 1.80 -2.30 -0.25 0.00 0.00 175.29 175.13 1s9i n PRO 392 N 0.37 1.35 -0.76 2.91 -0.02 -1.26 -4.94 135.00 132.65 1s9i n PRO 392 Ca -0.15 -1.34 0.00 0.00 -2.02 0.00 0.00 63.50 60.00 1s9i n PRO 392 Cb 0.59 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1s9i n PRO 392 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89