#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b47 s PRO 48 N 0.00 2.77 0.27 0.58 0.04 -1.26 -5.00 135.00 132.40 1b47 s PRO 48 Ca 0.00 0.36 -0.25 0.00 0.04 0.00 0.00 61.00 61.15 1b47 s PRO 48 Cb 0.00 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1b47 s PRO 48 CO 0.00 -1.06 0.89 0.20 0.04 0.00 0.00 177.00 177.07 1b47 s GLY 49 N -4.38 2.83 0.03 0.56 0.00 -1.26 -4.92 107.32 100.18 1b47 s GLY 49 Ca 0.58 0.46 -0.39 0.00 0.00 0.00 0.00 44.72 45.37 1b47 s GLY 49 CO 0.51 0.91 1.08 2.41 0.00 0.00 0.00 173.10 178.01 1b47 n THR 50 N 0.86 0.13 -3.22 0.90 -1.04 -1.26 -4.81 114.28 105.84 1b47 n THR 50 Ca -0.00 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.59 1b47 n THR 50 Cb 0.50 -0.12 -0.06 0.00 -1.82 0.00 0.00 70.33 68.82 1b47 n THR 50 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1b47 s VAL 51 N 0.00 4.67 0.19 12.58 1.01 -0.31 -5.01 120.40 133.54 1b47 s VAL 51 Ca 0.88 1.29 0.05 0.00 0.00 0.00 0.00 61.98 64.20 1b47 s VAL 51 Cb -1.20 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 31.23 1b47 s VAL 51 CO 0.56 0.53 0.16 -0.90 0.00 0.00 0.00 175.10 175.45 1b47 n ASP 52 N 1.63 -0.40 -0.04 3.32 5.68 -1.26 -4.28 116.55 121.20 1b47 n ASP 52 Ca -0.09 -2.27 -0.05 0.00 -0.50 0.00 0.00 54.79 51.88 1b47 n ASP 52 Cb 0.50 0.97 0.16 0.00 -1.14 0.00 0.00 41.12 41.61 1b47 n ASP 52 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1b47 h LYS 53 N 0.00 0.63 -0.32 0.11 1.57 -1.98 -1.44 116.57 115.14 1b47 h LYS 53 Ca -0.14 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1b47 h LYS 53 Cb 0.69 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 1b47 h LYS 53 CO 0.20 0.79 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.57 1b47 h LYS 54 N 0.56 0.00 -0.29 3.15 3.64 -1.98 0.89 116.57 122.55 1b47 h LYS 54 Ca 0.09 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1b47 h LYS 54 Cb 0.65 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 1b47 h LYS 54 CO 0.05 0.00 -0.04 1.98 -2.27 0.00 0.00 179.45 179.17 1b47 h MET 55 N 0.00 0.03 -0.02 1.90 4.05 -1.86 0.96 114.93 119.99 1b47 h MET 55 Ca 0.15 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.44 1b47 h MET 55 Cb 0.23 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1b47 h MET 55 CO -0.32 0.02 -0.59 -0.24 0.23 0.00 0.00 176.91 176.01 1b47 h VAL 56 N 0.03 1.41 -0.34 -5.77 3.04 -0.14 0.86 116.25 115.35 1b47 h VAL 56 Ca 0.14 -1.99 -0.04 0.00 -1.01 0.00 0.00 66.70 63.80 1b47 h VAL 56 Cb 0.20 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 1b47 h VAL 56 CO -0.27 0.57 0.06 -0.33 -1.01 0.00 0.00 177.57 176.59 1b47 h GLU 57 N 0.06 0.55 -0.60 4.17 4.39 0.83 -0.95 114.58 123.04 1b47 h GLU 57 Ca -0.01 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1b47 h GLU 57 Cb 1.05 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 1b47 h GLU 57 CO 0.08 0.63 0.38 -0.22 -1.16 0.00 0.00 179.01 178.72 1b47 h LYS 58 N 0.39 0.80 -0.51 2.33 3.64 -0.20 -1.96 116.57 121.06 1b47 h LYS 58 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1b47 h LYS 58 Cb 0.35 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1b47 h LYS 58 CO 0.01 0.55 0.32 0.00 -2.27 0.00 0.00 179.45 178.05 1b47 h TRP 60 N 0.68 0.85 -0.32 0.00 6.55 -0.52 0.18 115.95 123.37 1b47 h TRP 60 Ca 0.18 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.96 1b47 h TRP 60 Cb -0.04 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 27.98 1b47 h TRP 60 CO -0.03 0.40 -0.15 0.87 -1.05 0.00 0.00 178.44 178.48 1b47 h LYS 61 N 0.80 0.66 -0.49 0.49 1.57 -0.73 0.12 116.57 118.99 1b47 h LYS 61 Ca 0.38 -0.29 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1b47 h LYS 61 Cb 0.41 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1b47 h LYS 61 CO -0.15 0.88 0.20 -0.07 -0.57 0.00 0.00 179.45 179.74 1b47 h LEU 62 N 0.43 0.24 -0.20 2.94 -0.00 -0.81 -1.28 115.31 116.63 1b47 h LEU 62 Ca 0.07 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.95 1b47 h LEU 62 Cb 0.68 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1b47 h LEU 62 CO 0.05 0.17 -0.06 0.24 -0.00 0.00 0.00 178.44 178.84 1b47 h MET 63 N 0.40 0.39 -0.94 1.13 2.86 -0.15 -1.26 114.93 117.35 1b47 h MET 63 Ca 0.23 -0.15 0.19 0.00 -2.06 0.00 0.00 59.70 57.91 1b47 h MET 63 Cb 0.21 -0.02 -0.18 0.00 0.06 0.00 0.00 31.60 31.67 1b47 h MET 63 CO -0.21 0.65 -0.23 -0.44 1.06 0.00 0.00 176.91 177.74 1b47 h ASP 64 N 0.10 -0.86 -0.12 1.22 3.32 -0.65 0.23 116.42 119.65 1b47 h ASP 64 Ca 0.05 0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.42 1b47 h ASP 64 Cb 0.51 0.58 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 1b47 h ASP 64 CO 0.02 -0.31 -0.16 0.11 -1.72 0.00 0.00 179.24 177.18 1b47 h LYS 65 N 0.00 -0.20 -0.75 3.56 1.79 -0.59 0.69 116.57 121.07 1b47 h LYS 65 Ca 0.45 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 59.07 1b47 h LYS 65 Cb 0.69 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.30 1b47 h LYS 65 CO -0.96 -0.13 0.32 0.28 -1.08 0.00 0.00 179.45 177.87 1b47 h VAL 66 N -0.21 0.69 -0.11 0.50 2.07 -0.41 0.22 116.25 119.01 1b47 h VAL 66 Ca 0.09 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1b47 h VAL 66 Cb 0.34 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1b47 h VAL 66 CO -0.25 0.09 0.07 0.58 0.02 0.00 0.00 177.57 178.08 1b47 h VAL 67 N 0.48 1.03 -0.89 2.57 2.07 0.11 -1.14 116.25 120.48 1b47 h VAL 67 Ca 0.41 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.90 1b47 h VAL 67 Cb 0.59 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1b47 h VAL 67 CO -0.38 0.03 0.58 0.03 0.02 0.00 0.00 177.57 177.85 1b47 h ARG 68 N 0.14 1.08 -0.23 1.57 3.08 -0.45 -0.90 114.38 118.67 1b47 h ARG 68 Ca 0.04 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1b47 h ARG 68 Cb -0.01 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.76 1b47 h ARG 68 CO -0.01 0.71 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.51 1b47 h LEU 69 N 1.11 -0.15 0.00 3.04 3.38 -0.70 -2.14 115.31 119.84 1b47 h LEU 69 Ca 0.36 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1b47 h LEU 69 Cb 0.03 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1b47 h LEU 69 CO -0.13 -0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.36 1b47 n GLN 71 N -1.28 0.17 -1.66 0.00 6.02 -0.39 -4.83 117.38 115.41 1b47 n GLN 71 Ca 0.13 -0.05 -0.48 0.00 -0.01 0.00 0.00 57.00 56.58 1b47 n GLN 71 Cb 0.21 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.93 1b47 n GLN 71 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1b47 n ASN 72 N -1.37 2.82 0.05 1.08 2.85 -1.18 -4.83 115.26 114.67 1b47 n ASN 72 Ca 0.09 1.07 0.13 0.00 -0.11 0.00 0.00 54.58 55.75 1b47 n ASN 72 Cb 0.32 -1.35 0.51 0.00 1.24 0.00 0.00 39.78 40.50 1b47 n ASN 72 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1b47 n PRO 73 N 4.02 0.11 0.10 1.20 -0.02 -1.26 0.96 135.00 140.11 1b47 n PRO 73 Ca 0.19 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1b47 n PRO 73 Cb 0.26 -1.64 0.32 0.00 -0.02 0.00 0.00 33.50 32.42 1b47 n PRO 73 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1b47 h LYS 74 N 0.00 0.26 -0.91 -0.52 1.57 -1.99 -2.40 116.57 112.58 1b47 h LYS 74 Ca 0.00 -0.08 0.14 0.00 -1.87 0.00 0.00 60.65 58.84 1b47 h LYS 74 Cb 0.57 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 1b47 h LYS 74 CO 0.00 0.48 0.59 -0.07 -0.57 0.00 0.00 179.45 179.88 1b47 h LEU 75 N 0.24 0.71 -2.15 2.94 3.38 0.26 -3.45 115.31 117.24 1b47 h LEU 75 Ca 0.04 0.04 -0.58 0.00 0.09 0.00 0.00 57.88 57.47 1b47 h LEU 75 Cb 0.54 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.04 1b47 h LEU 75 CO 0.04 0.36 -0.95 0.00 0.09 0.00 0.00 178.44 177.98 1b47 n ALA 76 N -2.41 -2.05 -2.04 1.53 0.00 -0.91 -4.83 120.51 109.80 1b47 n ALA 76 Ca 0.18 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1b47 n ALA 76 Cb 0.45 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1b47 n ALA 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1b47 s LEU 77 N -7.26 4.36 0.68 0.00 2.96 -1.26 -4.96 118.68 113.19 1b47 s LEU 77 Ca 0.03 2.39 -0.15 0.00 -0.22 0.00 0.00 54.13 56.19 1b47 s LEU 77 Cb -0.02 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.11 1b47 s LEU 77 CO 0.97 -0.79 1.14 -1.59 -1.32 0.00 0.00 176.35 174.75 1b47 s LYS 78 N 2.02 2.61 0.00 1.98 -2.85 -1.26 -4.96 119.74 117.28 1b47 s LYS 78 Ca 0.69 1.50 0.30 0.00 -1.00 0.00 0.00 55.97 57.47 1b47 s LYS 78 Cb -0.38 -1.92 1.76 0.00 -2.06 0.00 0.00 37.83 35.23 1b47 s LYS 78 CO 0.30 -1.42 2.13 0.09 0.10 0.00 0.00 175.35 176.56 1b47 n ASN 79 N -2.49 0.00 -4.87 0.03 3.02 -1.26 -4.93 115.26 104.76 1b47 n ASN 79 Ca 0.11 -0.77 -0.31 0.00 -0.03 0.00 0.00 54.58 53.59 1b47 n ASN 79 Cb 0.51 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1b47 n ASN 79 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1b47 s SER 80 N -2.13 6.33 0.26 6.41 1.04 -1.26 -4.82 113.70 119.52 1b47 s SER 80 Ca 0.42 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.90 1b47 s SER 80 Cb 0.21 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.80 1b47 s SER 80 CO 0.38 -0.74 1.39 -2.84 0.98 0.00 0.00 173.24 172.41 1b47 s PRO 81 N -4.81 4.30 0.25 4.02 0.02 -1.26 -3.42 135.00 134.11 1b47 s PRO 81 Ca 0.54 2.25 -0.18 0.00 0.02 0.00 0.00 61.00 63.63 1b47 s PRO 81 Cb -0.11 -3.11 -0.08 0.00 0.02 0.00 0.00 34.50 31.22 1b47 s PRO 81 CO 0.47 -0.34 0.72 -1.25 -0.33 0.00 0.00 177.00 176.26 1b47 s PRO 82 N -0.66 4.14 -0.32 5.54 0.04 -1.26 -4.81 135.00 137.67 1b47 s PRO 82 Ca 0.57 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1b47 s PRO 82 Cb -0.41 -2.72 0.11 0.00 0.04 0.00 0.00 34.50 31.52 1b47 s PRO 82 CO 0.45 0.31 0.12 -0.47 0.04 0.00 0.00 177.00 177.46 1b47 s TYR 83 N -1.69 1.45 0.65 0.56 5.04 -1.22 -4.80 117.35 117.34 1b47 s TYR 83 Ca 0.47 -1.66 0.41 0.00 -2.44 0.00 0.00 57.07 53.84 1b47 s TYR 83 Cb -0.14 -1.56 2.29 0.00 0.35 0.00 0.00 41.96 42.90 1b47 s TYR 83 CO 0.20 -0.86 2.35 0.97 -1.34 0.00 0.00 175.55 176.86 1b47 h ILE 84 N 6.26 0.13 0.00 3.14 2.10 -1.90 -1.24 117.51 126.01 1b47 h ILE 84 Ca -0.12 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1b47 h ILE 84 Cb 1.00 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1b47 h ILE 84 CO 0.46 0.00 -0.30 -0.07 -1.08 0.00 0.00 178.15 177.16 1b47 h LEU 85 N 0.00 0.00 0.12 2.19 3.38 -1.96 -1.91 115.31 117.13 1b47 h LEU 85 Ca -0.00 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1b47 h LEU 85 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1b47 h LEU 85 CO 0.00 0.01 -0.91 0.44 0.09 0.00 0.00 178.44 178.06 1b47 h ASP 86 N 0.00 0.38 -0.90 -0.43 3.32 -1.76 -3.40 116.42 113.63 1b47 h ASP 86 Ca 0.00 -0.91 0.04 0.00 0.02 0.00 0.00 57.03 56.18 1b47 h ASP 86 Cb 0.95 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 1b47 h ASP 86 CO 0.00 1.42 0.59 -0.07 -1.72 0.00 0.00 179.24 179.46 1b47 h LEU 87 N -0.44 0.95 0.42 1.55 3.38 -0.96 -1.71 115.31 118.50 1b47 h LEU 87 Ca -0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1b47 h LEU 87 Cb 1.60 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1b47 h LEU 87 CO 0.10 0.65 -0.20 -0.07 0.09 0.00 0.00 178.44 179.00 1b47 h LEU 88 N 1.10 -0.48 -1.80 1.67 4.07 -1.58 -0.88 115.31 117.41 1b47 h LEU 88 Ca 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.20 1b47 h LEU 88 Cb 0.06 0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1b47 h LEU 88 CO -0.12 -0.17 -0.14 1.55 -1.08 0.00 0.00 178.44 178.48 1b47 h PRO 89 N -0.80 0.00 0.00 1.13 0.13 -1.77 -0.18 132.00 130.51 1b47 h PRO 89 Ca -0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 1b47 h PRO 89 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1b47 h PRO 89 CO 0.09 0.14 -0.48 -0.44 -0.23 0.00 0.00 178.00 177.09 1b47 h ASP 90 N 0.00 0.00 -0.12 1.44 3.32 -1.10 0.17 116.42 120.13 1b47 h ASP 90 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1b47 h ASP 90 Cb 0.38 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1b47 h ASP 90 CO 0.02 0.48 -0.62 0.74 -1.72 0.00 0.00 179.24 178.14 1b47 h THR 91 N 0.00 1.33 -0.20 0.35 2.02 -0.57 -0.83 112.91 115.00 1b47 h THR 91 Ca -0.00 -1.90 0.04 0.00 0.77 0.00 0.00 66.41 65.32 1b47 h THR 91 Cb 0.86 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.36 1b47 h THR 91 CO 0.06 0.58 -0.03 0.22 0.37 0.00 0.00 175.52 176.72 1b47 h TYR 92 N 0.28 -0.07 -0.76 3.16 5.03 -0.78 -1.09 116.97 122.74 1b47 h TYR 92 Ca -0.04 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.36 1b47 h TYR 92 Cb 1.27 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 39.54 1b47 h TYR 92 CO 0.10 -0.07 0.43 1.96 -1.32 0.00 0.00 178.16 179.27 1b47 h GLN 93 N 0.02 0.74 0.00 1.82 4.20 -0.20 -1.23 115.11 120.47 1b47 h GLN 93 Ca 0.10 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1b47 h GLN 93 Cb 0.14 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1b47 h GLN 93 CO -0.19 0.49 -0.42 1.25 -0.67 0.00 0.00 178.83 179.29 1b47 h HIS 94 N 0.77 0.00 -0.03 2.96 2.76 -0.88 -1.73 115.15 118.99 1b47 h HIS 94 Ca 0.35 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.32 1b47 h HIS 94 Cb 0.27 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 1b47 h HIS 94 CO -0.07 0.42 -0.85 -0.07 -1.30 0.00 0.00 177.93 176.06 1b47 h LEU 95 N 0.00 0.48 -0.83 0.26 3.38 -1.00 -0.54 115.31 117.06 1b47 h LEU 95 Ca -0.00 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1b47 h LEU 95 Cb 1.07 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1b47 h LEU 95 CO 0.05 1.13 0.53 0.03 0.09 0.00 0.00 178.44 180.28 1b47 h ARG 96 N 0.23 1.01 -0.27 1.13 2.47 -1.10 -0.52 114.38 117.33 1b47 h ARG 96 Ca -0.06 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 1b47 h ARG 96 Cb 1.46 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 1b47 h ARG 96 CO 0.14 0.67 0.08 1.15 0.56 0.00 0.00 179.97 182.57 1b47 h THR 97 N 1.04 1.13 -0.06 2.04 2.02 -0.74 -0.82 112.91 117.52 1b47 h THR 97 Ca 0.33 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1b47 h THR 97 Cb 0.01 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1b47 h THR 97 CO -0.11 0.16 -0.21 0.40 0.37 0.00 0.00 175.52 176.12 1b47 h ILE 98 N 0.39 1.44 -0.41 3.11 2.04 0.35 -2.61 117.51 121.82 1b47 h ILE 98 Ca 0.09 -1.63 0.05 0.00 1.00 0.00 0.00 64.86 64.37 1b47 h ILE 98 Cb 0.13 2.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1b47 h ILE 98 CO -0.01 0.46 0.15 -0.07 0.00 0.00 0.00 178.15 178.68 1b47 h LEU 99 N -0.28 0.17 -0.49 1.44 -0.00 -0.94 -1.74 115.31 113.47 1b47 h LEU 99 Ca -0.01 0.04 0.09 0.00 -0.00 0.00 0.00 57.88 58.00 1b47 h LEU 99 Cb 0.85 0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 41.46 1b47 h LEU 99 CO 0.04 0.14 0.05 -1.28 -0.00 0.00 0.00 178.44 177.39 1b47 h SER 100 N 0.32 -0.11 0.02 -0.43 0.87 -1.14 -0.36 113.55 112.72 1b47 h SER 100 Ca 0.19 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1b47 h SER 100 Cb 0.16 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1b47 h SER 100 CO -0.18 -0.03 -0.01 0.03 -0.53 0.00 0.00 176.83 176.11 1b47 h ARG 101 N 0.17 0.00 -0.47 2.24 2.47 -0.93 -3.03 114.38 114.82 1b47 h ARG 101 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 1b47 h ARG 101 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1b47 h ARG 101 CO -0.37 0.01 0.00 0.66 0.56 0.00 0.00 179.97 180.83 1b47 n TYR 102 N -4.20 0.83 -0.23 3.04 4.01 -0.51 -4.70 117.16 115.39 1b47 n TYR 102 Ca -0.03 -0.57 -0.06 0.00 -0.16 0.00 0.00 57.90 57.08 1b47 n TYR 102 Cb 0.10 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 38.97 1b47 n TYR 102 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1b47 n GLU 103 N 0.74 -0.24 0.25 -0.72 -0.58 -0.26 0.15 120.64 119.98 1b47 n GLU 103 Ca 0.18 0.89 0.08 0.00 -0.42 0.00 0.00 57.16 57.89 1b47 n GLU 103 Cb 0.62 -1.32 0.63 0.00 -0.57 0.00 0.00 31.44 30.80 1b47 n GLU 103 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1b47 h GLY 104 N 0.00 0.02 -4.73 0.62 0.00 -1.87 -3.38 103.07 93.74 1b47 h GLY 104 Ca 0.09 -0.01 -0.42 0.00 0.00 0.00 0.00 47.33 46.99 1b47 h GLY 104 CO -0.51 0.01 -0.99 0.28 0.00 0.00 0.00 176.54 175.33 1b47 n LYS 105 N -4.53 2.39 0.29 4.80 5.02 0.40 -4.87 118.16 121.66 1b47 n LYS 105 Ca -0.03 -3.81 0.17 0.00 -2.02 0.00 0.00 58.31 52.62 1b47 n LYS 105 Cb 0.09 -1.81 0.85 0.00 -0.02 0.00 0.00 35.03 34.14 1b47 n LYS 105 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1b47 h MET 106 N 2.60 0.00 0.00 1.97 2.86 -1.68 -1.73 114.93 118.95 1b47 h MET 106 Ca 0.08 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.54 1b47 h MET 106 Cb 1.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1b47 h MET 106 CO 0.54 0.05 -0.84 0.93 1.06 0.00 0.00 176.91 178.65 1b47 h GLU 107 N 0.00 0.06 -0.09 1.72 3.07 -1.90 -1.75 114.58 115.71 1b47 h GLU 107 Ca -0.00 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.67 1b47 h GLU 107 Cb 0.29 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1b47 h GLU 107 CO 0.01 0.86 -0.45 0.00 -1.40 0.00 0.00 179.01 178.03 1b47 h THR 108 N 0.04 1.33 0.25 1.13 1.03 -1.72 -2.76 112.91 112.20 1b47 h THR 108 Ca -0.02 -1.61 -0.01 0.00 -0.01 0.00 0.00 66.41 64.75 1b47 h THR 108 Cb 1.47 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 70.32 1b47 h THR 108 CO 0.12 0.48 -0.12 0.25 -0.01 0.00 0.00 175.52 176.23 1b47 h LEU 109 N 0.17 -0.28 -1.94 0.00 5.85 -1.29 -3.03 115.31 114.79 1b47 h LEU 109 Ca 0.01 0.01 0.40 0.00 0.84 0.00 0.00 57.88 59.15 1b47 h LEU 109 Cb 0.87 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 1b47 h LEU 109 CO 0.07 0.14 0.99 1.23 -0.34 0.00 0.00 178.44 180.53 1b47 h GLY 110 N -1.01 0.13 1.53 3.75 0.00 -1.46 -1.14 103.07 104.88 1b47 h GLY 110 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1b47 h GLY 110 CO 0.06 -0.03 -0.27 -1.84 0.00 0.00 0.00 176.54 174.46 1b47 n GLU 111 N -4.16 0.09 -1.84 4.80 -0.00 -1.04 -1.16 120.64 117.33 1b47 n GLU 111 Ca 0.31 0.05 -0.42 0.00 -0.00 0.00 0.00 57.16 57.10 1b47 n GLU 111 Cb 1.44 -1.58 -0.03 0.00 -0.00 0.00 0.00 31.44 31.27 1b47 n GLU 111 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1b47 s ASN 112 N -3.46 6.47 0.01 -1.84 3.84 -0.43 -4.93 114.94 114.60 1b47 s ASN 112 Ca 0.11 2.79 -0.20 0.00 0.21 0.00 0.00 52.86 55.77 1b47 s ASN 112 Cb 0.16 -2.61 -0.21 0.00 -0.55 0.00 0.00 41.25 38.04 1b47 s ASN 112 CO 0.63 -0.88 1.14 -0.08 -2.79 0.00 0.00 177.10 175.11 1b47 h GLU 113 N 6.11 0.39 -0.60 0.43 4.81 -1.91 -1.17 114.58 122.63 1b47 h GLU 113 Ca -0.44 -0.36 0.12 0.00 -0.13 0.00 0.00 59.36 58.55 1b47 h GLU 113 Cb 1.21 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.57 1b47 h GLU 113 CO 0.88 1.02 -0.05 -0.92 -0.73 0.00 0.00 179.01 179.21 1b47 h TYR 114 N -0.12 -0.14 -0.22 0.92 3.20 -1.95 -0.25 116.97 118.41 1b47 h TYR 114 Ca -0.05 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 1b47 h TYR 114 Cb 1.16 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 1b47 h TYR 114 CO 0.14 -0.20 -0.48 0.35 -1.64 0.00 0.00 178.16 176.34 1b47 h PHE 115 N 0.07 0.70 -0.41 -3.82 3.57 -1.81 0.12 116.94 115.35 1b47 h PHE 115 Ca 0.31 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1b47 h PHE 115 Cb 0.49 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1b47 h PHE 115 CO -0.41 0.94 0.20 0.00 -2.23 0.00 0.00 178.31 176.82 1b47 h ARG 116 N 0.46 0.59 -0.27 1.11 3.08 -1.07 0.21 114.38 118.49 1b47 h ARG 116 Ca 0.03 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1b47 h ARG 116 Cb 1.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1b47 h ARG 116 CO 0.09 0.51 0.13 0.28 -1.07 0.00 0.00 179.97 179.92 1b47 h VAL 117 N 0.53 1.14 0.22 2.04 2.07 -0.78 -1.97 116.25 119.51 1b47 h VAL 117 Ca 0.14 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1b47 h VAL 117 Cb 0.11 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1b47 h VAL 117 CO -0.02 0.14 -0.15 0.15 0.02 0.00 0.00 177.57 177.72 1b47 h PHE 118 N 0.31 -0.39 -0.83 1.57 3.04 -0.44 -2.02 116.94 118.18 1b47 h PHE 118 Ca 0.09 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 1b47 h PHE 118 Cb 0.11 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 1b47 h PHE 118 CO -0.02 -0.23 0.45 0.52 -2.02 0.00 0.00 178.31 177.00 1b47 h MET 119 N -0.37 1.15 -0.79 1.11 2.86 -0.96 -0.95 114.93 116.98 1b47 h MET 119 Ca -0.02 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1b47 h MET 119 Cb 0.31 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 1b47 h MET 119 CO 0.01 0.85 0.45 1.49 1.06 0.00 0.00 176.91 180.77 1b47 h GLU 120 N 1.16 1.08 -0.01 1.72 4.81 -1.29 -1.48 114.58 120.58 1b47 h GLU 120 Ca 0.29 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 1b47 h GLU 120 Cb 0.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1b47 h GLU 120 CO -0.05 0.77 -0.76 -0.97 -0.73 0.00 0.00 179.01 177.27 1b47 h ASN 121 N 1.09 0.10 -0.31 1.04 -1.24 -1.05 -0.70 115.58 114.51 1b47 h ASN 121 Ca 0.28 -0.07 -0.09 0.00 0.71 0.00 0.00 56.30 57.12 1b47 h ASN 121 Cb -0.01 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1b47 h ASN 121 CO -0.05 0.82 -0.18 0.25 -1.29 0.00 0.00 177.43 176.99 1b47 h LEU 122 N 0.05 0.69 -0.65 0.34 5.85 -0.51 0.11 115.31 121.18 1b47 h LEU 122 Ca -0.02 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 1b47 h LEU 122 Cb 1.34 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1b47 h LEU 122 CO 0.11 0.96 0.18 0.24 -0.34 0.00 0.00 178.44 179.59 1b47 h MET 123 N 0.42 1.03 -0.15 1.25 2.86 -1.23 -0.99 114.93 118.11 1b47 h MET 123 Ca 0.06 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1b47 h MET 123 Cb 0.71 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1b47 h MET 123 CO 0.05 0.91 0.08 0.87 1.06 0.00 0.00 176.91 179.88 1b47 h LYS 124 N 0.96 0.21 -0.01 1.72 1.57 -0.90 -0.14 116.57 119.98 1b47 h LYS 124 Ca 0.21 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1b47 h LYS 124 Cb 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1b47 h LYS 124 CO -0.00 0.22 -0.62 0.87 -0.57 0.00 0.00 179.45 179.34 1b47 h LYS 125 N 0.14 0.04 -0.14 3.15 1.79 -0.53 -1.67 116.57 119.35 1b47 h LYS 125 Ca 0.05 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1b47 h LYS 125 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1b47 h LYS 125 CO -0.01 0.65 0.05 1.15 -1.08 0.00 0.00 179.45 180.21 1b47 h THR 126 N 0.03 1.17 -0.07 -0.16 2.02 -0.92 -2.20 112.91 112.78 1b47 h THR 126 Ca -0.01 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1b47 h THR 126 Cb 1.10 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1b47 h THR 126 CO 0.08 0.16 0.05 0.11 0.37 0.00 0.00 175.52 176.29 1b47 h LYS 127 N 0.06 0.00 -0.21 6.66 1.57 -0.89 -2.19 116.57 121.58 1b47 h LYS 127 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1b47 h LYS 127 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1b47 h LYS 127 CO -0.00 0.00 -0.47 0.37 -0.57 0.00 0.00 179.45 178.78 1b47 h GLN 128 N 0.00 0.53 -0.02 3.15 4.15 -1.03 0.97 115.11 122.87 1b47 h GLN 128 Ca 0.03 -0.30 -0.26 0.00 0.77 0.00 0.00 58.65 58.90 1b47 h GLN 128 Cb 0.13 0.02 0.02 0.00 0.21 0.00 0.00 27.48 27.86 1b47 h GLN 128 CO -0.00 0.89 -0.99 1.15 -1.93 0.00 0.00 178.83 177.95 1b47 h THR 129 N 0.43 1.28 -0.59 2.39 2.02 -0.81 0.03 112.91 117.66 1b47 h THR 129 Ca 0.03 -2.20 0.01 0.00 0.77 0.00 0.00 66.41 65.02 1b47 h THR 129 Cb 0.98 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.70 1b47 h THR 129 CO 0.09 0.68 0.39 0.40 0.37 0.00 0.00 175.52 177.45 1b47 h ILE 130 N 0.39 1.13 0.00 3.11 2.04 -1.12 -2.47 117.51 120.58 1b47 h ILE 130 Ca -0.12 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1b47 h ILE 130 Cb 1.64 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1b47 h ILE 130 CO 0.20 0.14 -0.11 -1.28 0.00 0.00 0.00 178.15 177.10 1b47 h SER 131 N 0.78 0.00 -0.01 1.72 0.87 -0.79 -1.86 113.55 114.27 1b47 h SER 131 Ca 0.22 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.54 1b47 h SER 131 Cb -0.06 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1b47 h SER 131 CO -0.06 0.11 -0.93 0.25 -0.53 0.00 0.00 176.83 175.67 1b47 h LEU 132 N 0.00 0.83 -0.18 2.23 5.85 -0.68 -1.57 115.31 121.79 1b47 h LEU 132 Ca -0.00 -0.74 0.05 0.00 0.84 0.00 0.00 57.88 58.03 1b47 h LEU 132 Cb 0.67 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1b47 h LEU 132 CO 0.01 1.46 -0.12 -0.26 -0.34 0.00 0.00 178.44 179.20 1b47 h PHE 133 N 0.29 -0.29 -0.64 1.25 -1.00 -0.90 -1.22 116.94 114.44 1b47 h PHE 133 Ca -0.11 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.75 1b47 h PHE 133 Cb 1.59 0.16 -0.06 0.00 3.61 0.00 0.00 35.95 41.25 1b47 h PHE 133 CO 0.11 -0.18 0.33 -0.22 -1.61 0.00 0.00 178.31 176.75 1b47 h LYS 134 N -0.11 0.59 0.06 1.51 3.64 -1.23 -1.16 116.57 119.86 1b47 h LYS 134 Ca 0.11 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 1b47 h LYS 134 Cb 0.27 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1b47 h LYS 134 CO -0.25 0.39 -1.06 0.93 -2.27 0.00 0.00 179.45 177.19 1b47 h GLU 135 N 0.61 0.34 0.02 1.90 4.39 -1.35 -3.38 114.58 117.11 1b47 h GLU 135 Ca 0.29 -0.44 -0.24 0.00 0.34 0.00 0.00 59.36 59.31 1b47 h GLU 135 Cb 0.22 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1b47 h GLU 135 CO -0.20 1.14 -1.18 0.78 -1.16 0.00 0.00 179.01 178.39 1b47 h GLY 136 N 1.39 0.06 0.00 -3.84 0.00 -0.88 -3.47 103.07 96.33 1b47 h GLY 136 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1b47 h GLY 136 CO 0.18 0.13 0.00 0.28 0.00 0.00 0.00 176.54 177.12 1b47 n LYS 137 N -3.33 0.00 0.11 4.80 5.02 -0.47 -0.65 118.16 123.64 1b47 n LYS 137 Ca -0.05 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.37 1b47 n LYS 137 Cb 0.98 0.00 0.40 0.00 -0.02 0.00 0.00 35.03 36.38 1b47 n LYS 137 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1b47 h GLU 138 N 0.00 0.00 0.00 1.97 -0.00 -1.90 -0.39 114.58 114.26 1b47 h GLU 138 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1b47 h GLU 138 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1b47 h GLU 138 CO 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 179.01 178.89 1b47 h ARG 139 N 0.00 0.00 -0.30 1.06 -0.00 -1.28 -2.11 114.38 111.75 1b47 h ARG 139 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.98 59.57 1b47 h ARG 139 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.69 1b47 h ARG 139 CO 0.00 0.12 0.29 0.52 0.00 0.00 0.00 179.97 180.89 1b47 h MET 140 N 0.00 0.00 -0.34 0.04 2.86 -1.09 0.34 114.93 116.74 1b47 h MET 140 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1b47 h MET 140 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1b47 h MET 140 CO 0.01 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.64 1b47 n TYR 141 N -3.95 0.45 -3.39 -0.22 4.01 -0.79 -4.74 117.16 108.53 1b47 n TYR 141 Ca 0.05 -0.23 -0.44 0.00 -0.16 0.00 0.00 57.90 57.12 1b47 n TYR 141 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.40 1b47 n TYR 141 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1b47 s GLU 142 N -1.55 2.99 0.44 -0.72 8.01 0.11 -4.96 118.70 123.02 1b47 s GLU 142 Ca 0.30 -1.27 0.30 0.00 0.01 0.00 0.00 54.97 54.31 1b47 s GLU 142 Cb 0.16 -4.11 1.41 0.00 -4.31 0.00 0.00 34.13 27.29 1b47 s GLU 142 CO 0.22 -0.99 1.64 1.05 0.01 0.00 0.00 175.26 177.19 1b47 h GLU 143 N 8.75 0.11 -0.11 1.61 9.09 -1.85 0.08 114.58 132.26 1b47 h GLU 143 Ca -0.28 -0.01 -0.14 0.00 0.05 0.00 0.00 59.36 58.98 1b47 h GLU 143 Cb 1.11 -0.02 -0.21 0.00 -1.65 0.00 0.00 28.75 27.98 1b47 h GLU 143 CO 0.86 0.07 -0.77 -1.71 0.05 0.00 0.00 179.01 177.51 1b47 n ASN 144 N -4.63 1.80 -4.10 3.06 5.15 -1.26 -4.75 115.26 110.52 1b47 n ASN 144 Ca 0.36 -3.09 -0.29 0.00 -0.60 0.00 0.00 54.58 50.96 1b47 n ASN 144 Cb 1.40 -0.43 0.22 0.00 -0.53 0.00 0.00 39.78 40.44 1b47 n ASN 144 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1b47 s SER 145 N -2.90 1.30 0.14 1.20 1.04 0.01 -4.86 113.70 109.64 1b47 s SER 145 Ca 0.37 0.86 -0.15 0.00 0.48 0.00 0.00 55.95 57.51 1b47 s SER 145 Cb 0.38 -1.27 0.01 0.00 0.10 0.00 0.00 66.02 65.23 1b47 s SER 145 CO -0.09 -3.91 1.66 -0.61 0.98 0.00 0.00 173.24 171.27 1b47 h GLN 146 N -2.43 0.67 0.00 4.02 5.75 -1.92 -1.93 115.11 119.27 1b47 h GLN 146 Ca -0.49 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 57.81 1b47 h GLN 146 Cb 1.31 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1b47 h GLN 146 CO 0.42 0.64 -0.30 -1.35 -2.65 0.00 0.00 178.83 175.59 1b47 h PRO 147 N 0.56 0.00 -0.02 -2.39 0.11 -1.93 -1.52 132.00 126.81 1b47 h PRO 147 Ca 0.14 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.03 1b47 h PRO 147 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1b47 h PRO 147 CO -0.01 0.30 -0.91 -0.09 -0.21 0.00 0.00 178.00 177.09 1b47 h ARG 148 N 0.00 0.47 0.00 1.05 9.65 -1.74 -2.59 114.38 121.22 1b47 h ARG 148 Ca -0.00 -0.48 -0.10 0.00 -1.10 0.00 0.00 59.98 58.30 1b47 h ARG 148 Cb 0.59 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1b47 h ARG 148 CO 0.04 1.12 -0.47 0.00 2.80 0.00 0.00 179.97 183.46 1b47 h ARG 149 N 0.28 0.00 -0.26 0.20 3.08 -1.01 -0.66 114.38 116.01 1b47 h ARG 149 Ca -0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1b47 h ARG 149 Cb 1.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 1b47 h ARG 149 CO 0.16 0.47 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.60 1b47 h ASN 150 N 0.00 0.37 0.04 7.04 -0.26 -1.24 -2.03 115.58 119.50 1b47 h ASN 150 Ca -0.00 -0.06 -0.15 0.00 -0.56 0.00 0.00 56.30 55.52 1b47 h ASN 150 Cb 0.90 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 1b47 h ASN 150 CO 0.06 0.45 -0.52 0.25 -1.06 0.00 0.00 177.43 176.61 1b47 h LEU 151 N 0.39 0.58 -0.86 1.61 5.85 -0.72 -2.24 115.31 119.92 1b47 h LEU 151 Ca 0.09 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1b47 h LEU 151 Cb 0.29 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1b47 h LEU 151 CO 0.01 1.00 0.38 0.74 -0.34 0.00 0.00 178.44 180.22 1b47 h THR 152 N 0.42 1.26 0.20 1.05 2.02 -1.09 -0.98 112.91 115.79 1b47 h THR 152 Ca 0.01 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1b47 h THR 152 Cb 1.05 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1b47 h THR 152 CO 0.10 0.32 -0.10 0.11 0.37 0.00 0.00 175.52 176.32 1b47 h LYS 153 N 1.19 -0.26 -0.72 6.66 1.57 -1.31 -1.80 116.57 121.89 1b47 h LYS 153 Ca 0.28 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.23 1b47 h LYS 153 Cb 0.15 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.42 1b47 h LYS 153 CO -0.03 -0.04 0.22 -0.07 -0.57 0.00 0.00 179.45 178.96 1b47 h LEU 154 N -0.45 0.13 -0.41 2.94 3.38 -1.26 -2.08 115.31 117.57 1b47 h LEU 154 Ca -0.03 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1b47 h LEU 154 Cb 0.34 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1b47 h LEU 154 CO 0.05 0.03 0.22 0.28 0.09 0.00 0.00 178.44 179.11 1b47 h SER 155 N 0.34 0.51 -0.65 -0.43 0.02 -0.81 0.48 113.55 113.01 1b47 h SER 155 Ca 0.40 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.38 1b47 h SER 155 Cb 0.64 -0.13 -0.12 0.00 0.14 0.00 0.00 62.40 62.93 1b47 h SER 155 CO -0.45 0.45 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.36 1b47 h LEU 156 N 0.53 -0.95 -1.01 5.07 4.07 -1.25 -1.19 115.31 120.57 1b47 h LEU 156 Ca 0.14 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.30 1b47 h LEU 156 Cb 0.06 0.52 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 1b47 h LEU 156 CO -0.02 -0.28 0.33 0.40 -1.08 0.00 0.00 178.44 177.79 1b47 h ILE 157 N -0.09 1.23 -0.68 1.22 2.04 -0.62 -0.89 117.51 119.72 1b47 h ILE 157 Ca 0.28 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1b47 h ILE 157 Cb 0.54 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1b47 h ILE 157 CO -0.71 0.28 0.28 -0.26 0.00 0.00 0.00 178.15 177.74 1b47 h PHE 158 N 1.02 1.03 -0.07 1.37 0.04 -0.65 -0.28 116.94 119.41 1b47 h PHE 158 Ca 0.25 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.97 1b47 h PHE 158 Cb 0.13 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 1b47 h PHE 158 CO 0.01 0.80 -0.07 1.03 -0.60 0.00 0.00 178.31 179.48 1b47 h SER 159 N 0.97 -0.23 -0.40 2.17 0.87 -0.78 -2.35 113.55 113.80 1b47 h SER 159 Ca 0.23 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1b47 h SER 159 Cb 0.20 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1b47 h SER 159 CO -0.02 -0.10 0.21 0.45 -0.53 0.00 0.00 176.83 176.83 1b47 h HIS 160 N -0.10 0.59 -0.36 2.24 3.86 -0.83 -2.16 115.15 118.39 1b47 h HIS 160 Ca 0.06 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1b47 h HIS 160 Cb 0.18 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1b47 h HIS 160 CO -0.18 0.44 -0.03 0.52 0.86 0.00 0.00 177.93 179.55 1b47 h MET 161 N 0.61 0.66 -0.25 2.45 2.07 -0.84 -0.79 114.93 118.84 1b47 h MET 161 Ca 0.15 -0.23 -0.17 0.00 -2.07 0.00 0.00 59.70 57.38 1b47 h MET 161 Cb 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1b47 h MET 161 CO -0.02 0.79 -0.53 1.25 1.07 0.00 0.00 176.91 179.47 1b47 h LEU 162 N 0.47 0.89 -1.38 1.22 5.85 -1.09 -1.13 115.31 120.14 1b47 h LEU 162 Ca 0.10 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 1b47 h LEU 162 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1b47 h LEU 162 CO 0.02 1.27 -0.24 0.00 -0.34 0.00 0.00 178.44 179.16 1b47 h ALA 163 N 0.64 1.49 0.00 1.25 0.00 -1.18 -0.94 119.26 120.53 1b47 h ALA 163 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1b47 h ALA 163 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1b47 h ALA 163 CO 0.12 0.37 -0.23 1.49 0.00 0.00 0.00 179.25 180.99 1b47 h GLU 164 N 0.10 0.15 -0.50 0.00 4.81 -0.99 -1.47 114.58 116.69 1b47 h GLU 164 Ca 0.02 -0.17 0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1b47 h GLU 164 Cb 0.48 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.82 1b47 h GLU 164 CO 0.03 0.92 -0.12 1.25 -0.73 0.00 0.00 179.01 180.37 1b47 h LEU 165 N -0.54 -0.45 -1.48 1.64 5.85 -0.97 0.67 115.31 120.03 1b47 h LEU 165 Ca -0.03 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1b47 h LEU 165 Cb 1.01 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1b47 h LEU 165 CO 0.05 -0.16 -0.13 0.11 -0.34 0.00 0.00 178.44 177.97 1b47 h LYS 166 N 0.01 0.18 0.00 1.25 1.57 -1.07 0.27 116.57 118.77 1b47 h LYS 166 Ca 0.24 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1b47 h LYS 166 Cb 0.37 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1b47 h LYS 166 CO -0.51 0.32 -0.55 0.78 -0.57 0.00 0.00 179.45 178.92 1b47 h GLY 167 N 0.67 0.00 0.84 3.86 0.00 -0.06 -2.94 103.07 105.44 1b47 h GLY 167 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.06 1b47 h GLY 167 CO 0.02 0.00 -1.81 1.39 0.00 0.00 0.00 176.54 176.14 1b47 n ILE 168 N -3.48 1.61 -3.02 2.60 2.08 0.09 -4.51 119.36 114.73 1b47 n ILE 168 Ca 0.00 -0.78 -0.26 0.00 0.56 0.00 0.00 62.75 62.27 1b47 n ILE 168 Cb 0.65 -1.07 -0.04 0.00 -0.75 0.00 0.00 39.64 38.42 1b47 n ILE 168 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1b47 n PHE 169 N -3.07 3.50 -2.03 1.39 3.01 0.07 -0.82 117.46 119.51 1b47 n PHE 169 Ca -0.20 -3.99 -0.42 0.00 1.01 0.00 0.00 57.45 53.85 1b47 n PHE 169 Cb 1.06 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 40.01 1b47 n PHE 169 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1b47 s PRO 170 N -3.22 4.26 -1.48 -1.08 0.04 -1.11 -1.03 135.00 131.38 1b47 s PRO 170 Ca 0.47 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1b47 s PRO 170 Cb 0.27 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1b47 s PRO 170 CO -0.12 -0.54 0.00 0.43 0.04 0.00 0.00 177.00 176.81 1b47 n SER 171 N 3.99 -4.60 0.00 6.66 7.64 -1.26 -2.30 113.62 123.75 1b47 n SER 171 Ca 0.13 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1b47 n SER 171 Cb 0.40 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 1b47 n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b47 n GLY 172 N -0.71 0.52 3.73 0.23 0.00 -0.19 -4.88 105.19 103.89 1b47 n GLY 172 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1b47 n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b47 s LEU 173 N 0.00 3.85 0.03 0.99 1.43 -0.97 -4.49 118.68 119.51 1b47 s LEU 173 Ca 0.00 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 1b47 s LEU 173 Cb 0.00 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 1b47 s LEU 173 CO 0.00 0.35 1.62 0.12 0.23 0.00 0.00 176.35 178.67 1b47 s PHE 174 N -0.70 2.37 -0.05 0.29 5.36 -1.26 -3.44 117.98 120.54 1b47 s PHE 174 Ca 0.12 0.36 0.22 0.00 -0.96 0.00 0.00 56.93 56.66 1b47 s PHE 174 Cb -0.12 -3.91 0.42 0.00 -0.34 0.00 0.00 43.02 39.07 1b47 s PHE 174 CO 0.02 -3.65 1.18 1.04 -1.46 0.00 0.00 175.22 172.35 1b47 n GLN 175 N 5.95 0.40 0.18 10.12 1.13 0.00 -4.86 117.38 130.31 1b47 n GLN 175 Ca 0.16 -2.30 0.07 0.00 -1.94 0.00 0.00 57.00 52.98 1b47 n GLN 175 Cb 0.42 -0.42 0.57 0.00 0.11 0.00 0.00 30.24 30.91 1b47 n GLN 175 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1b47 h GLY 176 N 0.97 0.17 1.90 1.08 0.00 -1.88 -2.36 103.07 102.95 1b47 h GLY 176 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1b47 h GLY 176 CO 0.07 0.06 0.00 2.09 0.00 0.00 0.00 176.54 178.76 1b47 n ASP 177 N -4.50 0.00 -0.42 0.19 5.75 -1.26 -2.56 116.55 113.74 1b47 n ASP 177 Ca -0.01 0.35 0.07 0.00 -0.01 0.00 0.00 54.79 55.19 1b47 n ASP 177 Cb 0.09 -0.45 0.18 0.00 -1.03 0.00 0.00 41.12 39.92 1b47 n ASP 177 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1b47 n THR 178 N -1.45 2.10 -2.11 2.12 -2.24 -0.91 -4.86 114.28 106.93 1b47 n THR 178 Ca 0.09 -2.83 -0.41 0.00 -2.27 0.00 0.00 64.05 58.63 1b47 n THR 178 Cb 0.31 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 1b47 n THR 178 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1b47 s PHE 179 N -3.09 3.05 -0.39 4.78 2.19 -1.06 -4.94 117.98 118.52 1b47 s PHE 179 Ca 0.36 1.38 -0.18 0.00 0.33 0.00 0.00 56.93 58.83 1b47 s PHE 179 Cb 0.34 -3.69 0.01 0.00 -1.31 0.00 0.00 43.02 38.37 1b47 s PHE 179 CO -0.03 -1.92 0.47 0.50 1.83 0.00 0.00 175.22 176.08 1b47 s ARG 180 N -1.64 3.37 -0.02 10.12 3.52 -1.26 -5.03 118.95 128.01 1b47 s ARG 180 Ca 0.50 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 1b47 s ARG 180 Cb -0.40 -3.89 -0.03 0.00 -1.56 0.00 0.00 34.95 29.07 1b47 s ARG 180 CO 0.52 -0.75 1.06 0.42 -0.81 0.00 0.00 175.30 175.75 1b47 s ILE 181 N 2.28 4.58 0.03 4.11 1.01 -1.26 -4.97 121.20 126.98 1b47 s ILE 181 Ca 0.15 1.86 -0.20 0.00 0.00 0.00 0.00 60.65 62.47 1b47 s ILE 181 Cb -0.16 -4.19 -0.17 0.00 0.01 0.00 0.00 42.46 37.95 1b47 s ILE 181 CO 0.14 0.09 1.26 0.74 0.00 0.00 0.00 174.94 177.17 1b47 h THR 182 N 4.83 1.38 -3.39 2.92 2.02 -1.96 -3.43 112.91 115.28 1b47 h THR 182 Ca -0.38 -1.60 -0.58 0.00 0.77 0.00 0.00 66.41 64.61 1b47 h THR 182 Cb 1.20 2.10 -0.08 0.00 -1.74 0.00 0.00 68.15 69.62 1b47 h THR 182 CO 0.80 0.47 0.04 -0.54 0.37 0.00 0.00 175.52 176.66 1b47 s LYS 183 N -3.90 4.29 0.18 6.66 -0.14 -1.26 -4.98 119.74 120.58 1b47 s LYS 183 Ca -0.14 0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 54.98 1b47 s LYS 183 Cb 0.05 -3.52 0.08 0.00 -1.68 0.00 0.00 37.83 32.76 1b47 s LYS 183 CO 0.78 -0.08 1.70 0.00 -0.76 0.00 0.00 175.35 177.00 1b47 h ALA 184 N 7.15 0.81 -0.31 5.17 0.00 -1.99 0.31 119.26 130.40 1b47 h ALA 184 Ca -0.36 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1b47 h ALA 184 Cb 1.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1b47 h ALA 184 CO 0.76 0.49 -0.13 -0.44 0.00 0.00 0.00 179.25 179.93 1b47 h ASP 185 N 0.89 0.52 -0.26 0.00 3.32 -1.97 -1.62 116.42 117.30 1b47 h ASP 185 Ca 0.20 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 1b47 h ASP 185 Cb 0.30 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1b47 h ASP 185 CO -0.00 0.68 -0.46 0.00 -1.72 0.00 0.00 179.24 177.74 1b47 h ALA 186 N 1.37 0.59 0.00 3.45 0.00 -1.78 -2.38 119.26 120.52 1b47 h ALA 186 Ca 0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1b47 h ALA 186 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1b47 h ALA 186 CO 0.03 0.68 -0.40 0.00 0.00 0.00 0.00 179.25 179.56 1b47 h ALA 187 N 0.82 1.27 -0.20 0.00 0.00 -0.48 -1.30 119.26 119.38 1b47 h ALA 187 Ca 0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1b47 h ALA 187 Cb 1.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1b47 h ALA 187 CO 0.10 0.50 -0.03 0.93 0.00 0.00 0.00 179.25 180.75 1b47 h GLU 188 N 0.00 0.37 -0.40 0.00 5.08 -1.22 -1.29 114.58 117.12 1b47 h GLU 188 Ca -0.00 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1b47 h GLU 188 Cb 0.74 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1b47 h GLU 188 CO 0.05 0.61 0.15 0.35 -1.00 0.00 0.00 179.01 179.18 1b47 h PHE 189 N 0.10 0.28 -0.05 4.33 3.04 -0.93 -1.20 116.94 122.51 1b47 h PHE 189 Ca 0.05 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1b47 h PHE 189 Cb 0.46 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 1b47 h PHE 189 CO 0.05 0.12 0.00 2.35 -2.02 0.00 0.00 178.31 178.81 1b47 h TRP 190 N 0.32 0.09 -1.00 0.41 2.91 -0.99 -1.83 115.95 115.86 1b47 h TRP 190 Ca 0.18 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.29 1b47 h TRP 190 Cb 0.15 -0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 28.70 1b47 h TRP 190 CO -0.14 0.34 0.64 -0.09 -1.03 0.00 0.00 178.44 178.16 1b47 h ARG 191 N -0.18 1.03 -0.01 2.65 2.43 -1.12 0.70 114.38 119.88 1b47 h ARG 191 Ca 0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1b47 h ARG 191 Cb 0.30 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1b47 h ARG 191 CO 0.00 0.68 -0.03 0.87 -1.51 0.00 0.00 179.97 179.98 1b47 h LYS 192 N 1.06 0.04 -0.16 0.20 1.57 -1.12 -0.42 116.57 117.74 1b47 h LYS 192 Ca 0.47 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 59.06 1b47 h LYS 192 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1b47 h LYS 192 CO -0.23 0.62 -0.59 0.00 -0.57 0.00 0.00 179.45 178.68 1b47 h ALA 193 N 0.42 0.67 0.00 3.86 0.00 -1.19 -3.39 119.26 119.62 1b47 h ALA 193 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1b47 h ALA 193 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1b47 h ALA 193 CO 0.01 0.70 0.00 1.19 0.00 0.00 0.00 179.25 181.15 1b47 n PHE 194 N -3.93 0.00 0.00 0.00 3.72 0.24 -5.09 117.46 112.40 1b47 n PHE 194 Ca -0.04 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1b47 n PHE 194 Cb 0.63 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 1b47 n PHE 194 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b47 n GLY 195 N -0.17 3.10 0.72 1.37 0.00 -0.17 -2.11 105.19 107.94 1b47 n GLY 195 Ca 0.00 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.37 1b47 n GLY 195 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b47 n GLU 196 N 8.69 2.00 -1.56 1.61 1.02 -1.26 -4.36 120.64 126.79 1b47 n GLU 196 Ca 0.00 -1.83 -0.46 0.00 -0.02 0.00 0.00 57.16 54.85 1b47 n GLU 196 Cb 0.00 -1.32 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1b47 n GLU 196 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1b47 n LYS 197 N 0.83 1.09 -0.01 3.49 5.02 -0.89 -4.36 118.16 123.33 1b47 n LYS 197 Ca 0.12 0.38 -0.07 0.00 -2.02 0.00 0.00 58.31 56.73 1b47 n LYS 197 Cb 0.43 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 1b47 n LYS 197 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1b47 h THR 198 N 1.91 0.82 -2.98 -0.18 2.02 -1.92 -3.44 112.91 109.14 1b47 h THR 198 Ca -0.38 -2.60 -0.15 0.00 0.77 0.00 0.00 66.41 64.05 1b47 h THR 198 Cb 1.36 2.37 -0.25 0.00 -1.74 0.00 0.00 68.15 69.89 1b47 h THR 198 CO 0.61 0.47 -0.35 -0.51 0.37 0.00 0.00 175.52 176.11 1b47 s ILE 199 N -2.66 0.00 -0.00 3.11 2.07 -1.26 -0.29 121.20 122.17 1b47 s ILE 199 Ca -0.04 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1b47 s ILE 199 Cb 0.08 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 42.23 1b47 s ILE 199 CO 0.82 -0.00 -0.05 0.68 -1.91 0.00 0.00 174.94 174.48 1b47 s VAL 200 N 0.15 0.37 0.43 4.00 -7.23 -0.81 -4.98 120.40 112.33 1b47 s VAL 200 Ca -0.00 -0.25 -0.25 0.00 -1.81 0.00 0.00 61.98 59.66 1b47 s VAL 200 Cb -0.02 -0.33 -0.10 0.00 0.56 0.00 0.00 36.38 36.49 1b47 s VAL 200 CO 0.00 0.07 1.24 -2.65 -0.31 0.00 0.00 175.10 173.46 1b47 n PRO 201 N 2.87 1.85 -0.17 4.82 -0.02 -1.26 -0.17 135.00 142.93 1b47 n PRO 201 Ca -0.13 0.66 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 1b47 n PRO 201 Cb 0.58 -2.35 0.06 0.00 -0.02 0.00 0.00 33.50 31.77 1b47 n PRO 201 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1b47 h TRP 202 N 2.00 -0.05 -0.70 6.00 2.91 -1.65 -1.91 115.95 122.55 1b47 h TRP 202 Ca -0.48 0.04 0.04 0.00 1.13 0.00 0.00 58.89 59.63 1b47 h TRP 202 Cb 1.30 0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 30.00 1b47 h TRP 202 CO 0.47 -0.13 0.42 -0.22 -1.03 0.00 0.00 178.44 177.96 1b47 h LYS 203 N 0.11 0.78 -0.39 2.65 3.64 -1.91 0.26 116.57 121.71 1b47 h LYS 203 Ca 0.26 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1b47 h LYS 203 Cb 0.40 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1b47 h LYS 203 CO -0.44 0.51 -0.08 0.77 -2.27 0.00 0.00 179.45 177.95 1b47 h SER 204 N 0.80 0.65 -0.44 4.20 0.02 -1.78 -2.43 113.55 114.57 1b47 h SER 204 Ca 0.30 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1b47 h SER 204 Cb 0.10 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1b47 h SER 204 CO -0.14 0.77 0.21 0.15 -1.14 0.00 0.00 176.83 176.67 1b47 h PHE 205 N 0.62 0.63 -0.44 3.45 3.57 -0.51 -1.08 116.94 123.18 1b47 h PHE 205 Ca 0.11 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 1b47 h PHE 205 Cb 0.50 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1b47 h PHE 205 CO 0.02 0.52 -0.27 -0.09 -2.23 0.00 0.00 178.31 176.26 1b47 h ARG 206 N 0.57 0.95 -0.48 1.11 2.43 -0.39 0.19 114.38 118.75 1b47 h ARG 206 Ca 0.15 -0.43 0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1b47 h ARG 206 Cb 0.12 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1b47 h ARG 206 CO -0.02 1.10 0.31 1.96 -1.51 0.00 0.00 179.97 181.81 1b47 h GLN 207 N 0.80 0.61 -0.24 0.20 4.20 -1.38 0.30 115.11 119.60 1b47 h GLN 207 Ca 0.09 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1b47 h GLN 207 Cb 0.85 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1b47 h GLN 207 CO 0.08 0.40 0.07 0.00 -0.67 0.00 0.00 178.83 178.71 1b47 h ALA 208 N 1.19 0.31 -0.80 3.87 0.00 -0.97 -2.91 119.26 119.95 1b47 h ALA 208 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1b47 h ALA 208 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1b47 h ALA 208 CO -0.05 -0.06 0.42 1.25 0.00 0.00 0.00 179.25 180.81 1b47 h LEU 209 N 0.21 1.01 -1.65 0.00 5.85 -0.35 -3.06 115.31 117.32 1b47 h LEU 209 Ca 0.08 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1b47 h LEU 209 Cb 0.24 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1b47 h LEU 209 CO -0.00 0.83 0.32 -0.74 -0.34 0.00 0.00 178.44 178.51 1b47 h HIS 210 N 1.11 0.44 0.00 1.25 2.76 -0.75 0.37 115.15 120.33 1b47 h HIS 210 Ca 0.28 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1b47 h HIS 210 Cb 0.06 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1b47 h HIS 210 CO 0.01 0.24 0.00 0.93 -1.30 0.00 0.00 177.93 177.81 1b47 h GLU 211 N 0.44 0.00 0.00 5.26 4.39 -1.41 -3.08 114.58 120.18 1b47 h GLU 211 Ca 0.21 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.67 1b47 h GLU 211 Cb 0.25 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1b47 h GLU 211 CO -0.05 0.00 -1.88 0.28 -1.16 0.00 0.00 179.01 176.20 1b47 n VAL 212 N -2.94 0.88 -3.87 3.13 0.31 -0.55 -4.85 118.33 110.44 1b47 n VAL 212 Ca 0.01 -0.37 -0.30 0.00 -0.01 0.00 0.00 64.34 63.66 1b47 n VAL 212 Cb 0.28 -0.98 -0.15 0.00 -0.91 0.00 0.00 33.84 32.09 1b47 n VAL 212 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1b47 s HIS 213 N -2.31 2.75 0.27 3.52 3.76 0.12 -5.10 115.29 118.29 1b47 s HIS 213 Ca -0.18 -2.54 -0.30 0.00 -0.15 0.00 0.00 55.06 51.89 1b47 s HIS 213 Cb 0.05 -2.36 -0.13 0.00 1.11 0.00 0.00 32.58 31.24 1b47 s HIS 213 CO 0.39 -0.87 1.35 -2.30 -0.85 0.00 0.00 174.74 172.46 1b47 n PRO 214 N 4.16 2.01 -3.68 8.40 -0.02 -1.17 -3.88 135.00 140.83 1b47 n PRO 214 Ca 0.03 0.71 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 1b47 n PRO 214 Cb 0.39 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 1b47 n PRO 214 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1b47 s ILE 215 N -0.39 5.20 -1.73 4.25 1.01 -1.26 -5.01 121.20 123.27 1b47 s ILE 215 Ca 0.64 0.12 0.29 0.00 0.00 0.00 0.00 60.65 61.70 1b47 s ILE 215 Cb -0.63 -3.43 0.46 0.00 0.01 0.00 0.00 42.46 38.87 1b47 s ILE 215 CO 0.54 0.33 1.83 -1.54 0.00 0.00 0.00 174.94 176.10 1b47 n SER 216 N 4.47 0.58 -3.63 3.58 3.41 -1.26 -4.90 113.62 115.87 1b47 n SER 216 Ca -0.15 -0.69 -0.06 0.00 -0.26 0.00 0.00 58.87 57.71 1b47 n SER 216 Cb 0.52 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1b47 n SER 216 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1b47 s SER 217 N -2.42 -0.26 0.49 4.04 1.04 -1.26 -5.00 113.70 110.33 1b47 s SER 217 Ca 0.30 -0.21 0.16 0.00 0.48 0.00 0.00 55.95 56.67 1b47 s SER 217 Cb 0.20 0.44 1.18 0.00 0.10 0.00 0.00 66.02 67.93 1b47 s SER 217 CO 0.47 -0.76 2.09 1.23 0.98 0.00 0.00 173.24 177.24 1b47 h GLY 218 N 2.00 0.00 1.24 7.32 0.00 -1.99 -2.56 103.07 109.08 1b47 h GLY 218 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 1b47 h GLY 218 CO 0.28 0.00 -0.55 1.41 0.00 0.00 0.00 176.54 177.68 1b47 h LEU 219 N 0.00 0.89 -0.73 3.11 3.38 -2.00 -2.25 115.31 117.71 1b47 h LEU 219 Ca -0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1b47 h LEU 219 Cb 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1b47 h LEU 219 CO 0.01 1.26 0.44 -0.08 0.09 0.00 0.00 178.44 180.16 1b47 h GLU 220 N 0.62 0.98 -0.62 1.13 4.81 -1.92 -1.75 114.58 117.83 1b47 h GLU 220 Ca 0.01 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1b47 h GLU 220 Cb 1.14 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1b47 h GLU 220 CO 0.12 0.69 0.34 0.00 -0.73 0.00 0.00 179.01 179.43 1b47 h ALA 221 N 1.23 1.44 0.04 2.92 0.00 -1.44 -1.32 119.26 122.13 1b47 h ALA 221 Ca 0.26 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 1b47 h ALA 221 Cb -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.50 1b47 h ALA 221 CO -0.05 0.46 -1.03 0.52 0.00 0.00 0.00 179.25 179.16 1b47 h MET 222 N 0.85 0.41 -0.53 0.00 2.86 -0.77 -1.81 114.93 115.95 1b47 h MET 222 Ca 0.22 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1b47 h MET 222 Cb 0.01 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1b47 h MET 222 CO -0.04 1.16 0.23 0.00 1.06 0.00 0.00 176.91 179.32 1b47 h ALA 223 N 0.66 1.41 -0.08 6.32 0.00 -1.13 -2.40 119.26 124.04 1b47 h ALA 223 Ca -0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1b47 h ALA 223 Cb 1.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1b47 h ALA 223 CO 0.18 0.45 -0.14 1.25 0.00 0.00 0.00 179.25 181.00 1b47 h LEU 224 N 0.74 0.25 -0.72 0.00 6.46 -1.14 -2.76 115.31 118.15 1b47 h LEU 224 Ca 0.18 -0.55 0.16 0.00 -0.12 0.00 0.00 57.88 57.55 1b47 h LEU 224 Cb 0.12 -0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 39.87 1b47 h LEU 224 CO -0.02 0.75 0.15 0.50 -0.62 0.00 0.00 178.44 179.20 1b47 h LYS 225 N -0.25 0.23 0.00 1.25 3.64 -1.31 -1.87 116.57 118.26 1b47 h LYS 225 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1b47 h LYS 225 Cb 0.71 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1b47 h LYS 225 CO 0.03 0.15 -0.40 0.66 -2.27 0.00 0.00 179.45 177.62 1b47 h SER 226 N 0.24 0.00 -0.06 4.20 4.64 -1.22 0.29 113.55 121.64 1b47 h SER 226 Ca 0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1b47 h SER 226 Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1b47 h SER 226 CO -0.52 0.40 0.00 0.74 -0.87 0.00 0.00 176.83 176.59 1b47 h THR 227 N 0.00 1.25 0.11 2.95 2.02 -1.18 -3.39 112.91 114.67 1b47 h THR 227 Ca -0.00 -0.76 -0.25 0.00 0.77 0.00 0.00 66.41 66.17 1b47 h THR 227 Cb 1.07 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1b47 h THR 227 CO 0.05 0.21 -1.24 0.40 0.37 0.00 0.00 175.52 175.31 1b47 h ILE 228 N -0.18 1.15 -0.48 3.11 2.04 -1.10 -3.40 117.51 118.64 1b47 h ILE 228 Ca 0.02 -2.42 -0.52 0.00 1.00 0.00 0.00 64.86 62.94 1b47 h ILE 228 Cb 0.33 2.81 -0.04 0.00 -0.74 0.00 0.00 36.82 39.18 1b47 h ILE 228 CO 0.00 0.69 1.77 -0.67 0.00 0.00 0.00 178.15 179.93 1b47 n ASP 229 N -4.01 3.64 0.17 1.72 2.03 0.10 -4.75 116.55 115.46 1b47 n ASP 229 Ca -0.23 -2.78 0.02 0.00 0.52 0.00 0.00 54.79 52.32 1b47 n ASP 229 Cb 0.86 -1.65 0.30 0.00 -0.72 0.00 0.00 41.12 39.91 1b47 n ASP 229 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1b47 h LEU 230 N 14.97 0.00 -0.46 -2.67 3.38 -1.84 -0.89 115.31 127.81 1b47 h LEU 230 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1b47 h LEU 230 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1b47 h LEU 230 CO 1.46 0.46 -0.13 0.35 0.09 0.00 0.00 178.44 180.66 1b47 n THR 231 N -3.93 0.00 -3.89 0.22 -2.24 -1.26 -4.75 114.28 98.43 1b47 n THR 231 Ca -0.01 -0.12 -0.27 0.00 -2.27 0.00 0.00 64.05 61.37 1b47 n THR 231 Cb 0.49 0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1b47 n THR 231 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b47 n ASN 233 N -2.91 2.78 -2.23 0.00 6.94 -1.26 -5.00 115.26 113.59 1b47 n ASN 233 Ca -0.12 -2.94 -0.12 0.00 -0.02 0.00 0.00 54.58 51.38 1b47 n ASN 233 Cb 0.60 -0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 37.58 1b47 n ASN 233 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1b47 n ASP 234 N -1.03 -3.76 -4.31 0.53 8.00 -1.26 -4.98 116.55 109.75 1b47 n ASP 234 Ca 0.16 0.22 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 1b47 n ASP 234 Cb 0.67 -3.26 -0.10 0.00 -0.02 0.00 0.00 41.12 38.42 1b47 n ASP 234 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1b47 s TYR 235 N -2.50 1.54 -0.33 1.24 1.51 -1.26 -1.74 117.35 115.82 1b47 s TYR 235 Ca 0.00 -0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 55.41 1b47 s TYR 235 Cb 0.00 -0.74 0.07 0.00 -0.11 0.00 0.00 41.96 41.18 1b47 s TYR 235 CO 0.00 0.26 0.04 0.42 -1.11 0.00 0.00 175.55 175.16 1b47 s ILE 236 N -3.10 2.94 0.95 2.71 -1.09 0.76 -4.80 121.20 119.56 1b47 s ILE 236 Ca 0.20 -1.64 -0.12 0.00 -2.23 0.00 0.00 60.65 56.86 1b47 s ILE 236 Cb 0.00 -2.81 0.16 0.00 -1.58 0.00 0.00 42.46 38.24 1b47 s ILE 236 CO 0.04 -0.28 1.09 -0.94 -1.23 0.00 0.00 174.94 173.62 1b47 s SER 237 N 1.34 2.96 0.24 3.58 1.04 -1.26 -1.92 113.70 119.68 1b47 s SER 237 Ca -0.01 1.45 0.06 0.00 0.48 0.00 0.00 55.95 57.93 1b47 s SER 237 Cb -0.20 -2.12 0.27 0.00 0.10 0.00 0.00 66.02 64.07 1b47 s SER 237 CO -0.03 -2.96 1.57 1.62 0.98 0.00 0.00 173.24 174.43 1b47 h VAL 238 N -1.77 1.40 -0.26 5.02 3.04 -0.95 -1.14 116.25 121.60 1b47 h VAL 238 Ca -0.52 -2.02 0.02 0.00 -1.01 0.00 0.00 66.70 63.17 1b47 h VAL 238 Cb 1.30 2.05 -0.02 0.00 -2.01 0.00 0.00 31.29 32.60 1b47 h VAL 238 CO 0.54 0.59 0.10 0.15 -1.01 0.00 0.00 177.57 177.95 1b47 h PHE 239 N 0.13 0.19 -0.47 3.17 3.57 -1.94 -1.00 116.94 120.59 1b47 h PHE 239 Ca -0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1b47 h PHE 239 Cb 1.11 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1b47 h PHE 239 CO 0.02 0.10 0.09 0.93 -2.23 0.00 0.00 178.31 177.21 1b47 h GLU 240 N 0.23 0.73 -0.49 1.11 5.08 -1.75 -2.52 114.58 116.98 1b47 h GLU 240 Ca 0.11 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1b47 h GLU 240 Cb 0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1b47 h GLU 240 CO -0.10 0.68 -0.09 0.35 -1.00 0.00 0.00 179.01 178.86 1b47 h PHE 241 N 0.70 1.03 -0.63 4.33 3.57 -1.08 -2.88 116.94 121.97 1b47 h PHE 241 Ca 0.15 -0.21 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1b47 h PHE 241 Cb 0.30 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1b47 h PHE 241 CO 0.02 0.98 0.34 0.22 -2.23 0.00 0.00 178.31 177.64 1b47 h ASP 242 N 0.78 0.50 -0.09 0.41 3.58 -0.88 -2.41 116.42 118.31 1b47 h ASP 242 Ca 0.13 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.64 1b47 h ASP 242 Cb 0.63 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1b47 h ASP 242 CO 0.04 0.33 -0.09 0.40 -2.88 0.00 0.00 179.24 177.04 1b47 h ILE 243 N 0.64 0.74 -0.47 2.25 2.04 -1.43 -0.53 117.51 120.76 1b47 h ILE 243 Ca 0.28 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.04 1b47 h ILE 243 Cb 0.18 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1b47 h ILE 243 CO -0.18 0.00 -0.11 0.15 0.00 0.00 0.00 178.15 178.01 1b47 h PHE 244 N -0.11 1.01 0.00 1.37 3.57 -1.47 -0.65 116.94 120.66 1b47 h PHE 244 Ca 0.07 -0.22 -0.15 0.00 3.53 0.00 0.00 57.97 61.20 1b47 h PHE 244 Cb 0.21 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1b47 h PHE 244 CO -0.20 0.99 -0.72 1.79 -2.23 0.00 0.00 178.31 177.94 1b47 h THR 245 N 0.74 1.46 0.16 4.41 1.35 -1.33 -0.27 112.91 119.43 1b47 h THR 245 Ca 0.12 -2.54 -0.01 0.00 -0.55 0.00 0.00 66.41 63.43 1b47 h THR 245 Cb 0.66 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1b47 h THR 245 CO 0.05 0.71 -0.08 0.03 -0.25 0.00 0.00 175.52 175.98 1b47 h ARG 246 N 0.00 -0.21 -0.22 4.72 3.08 -0.89 -1.95 114.38 118.92 1b47 h ARG 246 Ca -0.01 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1b47 h ARG 246 Cb 1.33 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 1b47 h ARG 246 CO 0.09 -0.11 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.52 1b47 h LEU 247 N -0.25 0.43 -3.19 3.04 3.38 -0.58 -3.27 115.31 114.88 1b47 h LEU 247 Ca -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1b47 h LEU 247 Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1b47 h LEU 247 CO 0.04 0.71 -0.01 0.49 0.09 0.00 0.00 178.44 179.76 1b47 n PHE 248 N -4.10 0.67 -1.12 1.13 3.72 -0.16 -4.75 117.46 112.85 1b47 n PHE 248 Ca -0.01 -0.98 -0.35 0.00 -0.05 0.00 0.00 57.45 56.06 1b47 n PHE 248 Cb 0.42 -0.28 0.10 0.00 -0.94 0.00 0.00 39.48 38.78 1b47 n PHE 248 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b47 n GLN 249 N -0.84 0.15 -2.18 -1.08 10.64 -0.73 -4.44 117.38 118.90 1b47 n GLN 249 Ca 0.21 0.11 -0.32 0.00 -1.83 0.00 0.00 57.00 55.16 1b47 n GLN 249 Cb 0.83 -2.03 -0.01 0.00 -0.86 0.00 0.00 30.24 28.16 1b47 n GLN 249 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1b47 s PRO 250 N -3.37 3.66 0.29 2.61 0.04 -1.26 -4.76 135.00 132.21 1b47 s PRO 250 Ca 0.66 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1b47 s PRO 250 Cb -0.30 -2.09 0.68 0.00 0.04 0.00 0.00 34.50 32.83 1b47 s PRO 250 CO 0.57 -0.52 1.74 2.35 0.04 0.00 0.00 177.00 181.19 1b47 h TRP 251 N 0.54 0.83 0.00 0.56 2.91 -1.89 -2.83 115.95 116.08 1b47 h TRP 251 Ca -0.46 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 59.54 1b47 h TRP 251 Cb 1.20 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.61 1b47 h TRP 251 CO 0.62 0.12 -0.25 0.66 -1.03 0.00 0.00 178.44 178.55 1b47 h SER 252 N 0.59 0.00 -0.84 2.65 4.64 -1.98 -1.98 113.55 116.63 1b47 h SER 252 Ca 0.54 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.30 1b47 h SER 252 Cb 0.89 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.56 1b47 h SER 252 CO -0.43 0.25 -0.76 -1.54 -0.87 0.00 0.00 176.83 173.49 1b47 n SER 253 N -3.69 4.99 -0.10 4.97 3.41 -1.10 -4.97 113.62 117.13 1b47 n SER 253 Ca -0.01 -3.75 -0.03 0.00 -0.26 0.00 0.00 58.87 54.82 1b47 n SER 253 Cb 0.37 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1b47 n SER 253 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1b47 n LEU 254 N -0.69 -0.24 0.24 1.04 7.94 -0.75 -1.25 117.00 123.29 1b47 n LEU 254 Ca 0.44 0.98 0.12 0.00 -1.11 0.00 0.00 56.01 56.44 1b47 n LEU 254 Cb 0.93 -0.34 0.58 0.00 0.53 0.00 0.00 43.42 45.12 1b47 n LEU 254 CO 0.40 -0.62 0.89 -0.07 -1.11 0.00 0.00 177.39 176.88 1b47 h LEU 255 N 0.00 0.00 -0.73 -1.96 3.38 -1.88 -1.85 115.31 112.27 1b47 h LEU 255 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1b47 h LEU 255 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1b47 h LEU 255 CO -0.22 0.15 -0.60 -0.09 0.09 0.00 0.00 178.44 177.77 1b47 h ARG 256 N 0.00 0.11 -0.23 1.13 2.43 -1.69 -1.44 114.38 114.70 1b47 h ARG 256 Ca -0.00 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 58.90 1b47 h ARG 256 Cb 0.60 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1b47 h ARG 256 CO 0.02 0.68 -0.60 -0.91 -1.51 0.00 0.00 179.97 177.64 1b47 h ASN 257 N 0.08 0.85 -0.27 -3.80 2.35 -0.62 -2.57 115.58 111.60 1b47 h ASN 257 Ca -0.01 -0.48 -0.06 0.00 -0.55 0.00 0.00 56.30 55.20 1b47 h ASN 257 Cb 1.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1b47 h ASN 257 CO 0.09 1.26 -0.07 -0.25 -1.65 0.00 0.00 177.43 176.80 1b47 h TRP 258 N 0.56 0.59 -0.12 1.19 7.01 -1.22 -0.88 115.95 123.10 1b47 h TRP 258 Ca -0.00 -0.13 0.02 0.00 2.11 0.00 0.00 58.89 60.89 1b47 h TRP 258 Cb 1.20 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 28.09 1b47 h TRP 258 CO 0.07 0.74 -0.02 -0.91 -2.79 0.00 0.00 178.44 175.53 1b47 h ASN 259 N 0.28 -0.08 0.32 2.65 2.35 -1.28 -0.20 115.58 119.62 1b47 h ASN 259 Ca 0.07 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1b47 h ASN 259 Cb 0.55 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1b47 h ASN 259 CO 0.03 -0.02 -0.10 -1.54 -1.65 0.00 0.00 177.43 174.14 1b47 n SER 260 N -5.14 0.52 -0.05 5.81 3.41 -0.97 -1.52 113.62 115.67 1b47 n SER 260 Ca -0.04 -0.66 -0.06 0.00 -0.26 0.00 0.00 58.87 57.85 1b47 n SER 260 Cb 0.08 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 63.90 1b47 n SER 260 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b47 n LEU 261 N -0.88 1.26 0.00 1.04 4.77 -0.34 -4.08 117.00 118.77 1b47 n LEU 261 Ca 0.15 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1b47 n LEU 261 Cb 0.27 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1b47 n LEU 261 CO 0.23 0.43 0.28 0.00 -1.33 0.00 0.00 177.39 177.00 1b47 n ALA 262 N -2.56 1.91 -0.08 -1.18 0.00 -0.11 -4.33 120.51 114.16 1b47 n ALA 262 Ca -0.18 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 1b47 n ALA 262 Cb 0.77 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 1b47 n ALA 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b47 n VAL 263 N -0.13 0.85 0.43 0.00 0.31 -0.58 -4.73 118.33 114.47 1b47 n VAL 263 Ca 0.00 -0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.09 1b47 n VAL 263 Cb 0.14 -1.29 -0.01 0.00 -0.91 0.00 0.00 33.84 31.77 1b47 n VAL 263 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1b47 n THR 264 N -3.23 0.00 -3.31 2.52 -2.24 -1.00 -5.01 114.28 102.00 1b47 n THR 264 Ca -0.28 -0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 60.72 1b47 n THR 264 Cb 0.75 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 70.01 1b47 n THR 264 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1b47 s HIS 265 N -1.37 3.33 -0.10 4.78 5.04 -1.26 -4.94 115.29 120.76 1b47 s HIS 265 Ca 0.08 0.63 0.27 0.00 -1.54 0.00 0.00 55.06 54.50 1b47 s HIS 265 Cb 0.08 -2.62 1.35 0.00 0.04 0.00 0.00 32.58 31.43 1b47 s HIS 265 CO 0.25 -0.13 1.83 -1.00 -2.34 0.00 0.00 174.74 173.35 1b47 h PRO 266 N 7.66 0.00 0.00 2.88 0.13 -1.91 -2.67 132.00 138.09 1b47 h PRO 266 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1b47 h PRO 266 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1b47 h PRO 266 CO 0.71 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.26 1b47 h GLY 267 N 0.82 0.00 -4.64 1.56 0.00 -1.88 -3.40 103.07 95.53 1b47 h GLY 267 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1b47 h GLY 267 CO 0.00 0.00 0.52 -0.47 0.00 0.00 0.00 176.54 176.59 1b47 s TYR 268 N -3.27 3.53 -1.14 5.60 5.04 -1.01 -1.69 117.35 124.41 1b47 s TYR 268 Ca 0.07 1.59 0.10 0.00 -2.44 0.00 0.00 57.07 56.39 1b47 s TYR 268 Cb 0.09 -3.19 0.06 0.00 0.35 0.00 0.00 41.96 39.26 1b47 s TYR 268 CO 0.58 -0.27 0.76 -1.33 -1.34 0.00 0.00 175.55 173.95 1b47 n MET 269 N 4.71 0.88 0.00 4.97 2.81 -0.42 -4.97 117.12 125.10 1b47 n MET 269 Ca 0.08 -0.95 0.00 0.00 -1.81 0.00 0.00 57.70 55.02 1b47 n MET 269 Cb 0.49 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 1b47 n MET 269 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b47 n ALA 270 N 0.33 0.00 -2.48 3.04 0.00 -1.26 -4.57 120.51 115.57 1b47 n ALA 270 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1b47 n ALA 270 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1b47 n ALA 270 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b47 s PHE 271 N 0.00 2.97 0.09 0.00 0.08 -1.26 -1.71 117.98 118.15 1b47 s PHE 271 Ca 0.00 1.12 -0.03 0.00 0.12 0.00 0.00 56.93 58.13 1b47 s PHE 271 Cb 0.00 -3.45 -0.03 0.00 -0.57 0.00 0.00 43.02 38.97 1b47 s PHE 271 CO 0.00 -1.42 0.07 -0.51 -0.10 0.00 0.00 175.22 173.26 1b47 s LEU 272 N 3.35 1.93 0.36 -0.37 1.02 -0.87 -4.95 118.68 119.15 1b47 s LEU 272 Ca 0.53 -0.96 -0.04 0.00 0.02 0.00 0.00 54.13 53.67 1b47 s LEU 272 Cb -0.20 0.51 -0.05 0.00 0.02 0.00 0.00 46.19 46.47 1b47 s LEU 272 CO 0.13 -0.69 0.63 0.28 0.02 0.00 0.00 176.35 176.72 1b47 s THR 273 N -3.94 4.99 0.27 5.49 -1.32 -1.26 -4.59 115.64 115.28 1b47 s THR 273 Ca 0.12 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1b47 s THR 273 Cb 0.07 -3.79 0.26 0.00 -1.51 0.00 0.00 72.50 67.53 1b47 s THR 273 CO -0.06 -0.51 1.81 0.22 -2.21 0.00 0.00 174.62 173.86 1b47 h TYR 274 N 1.10 1.02 -0.33 9.09 3.20 -1.99 -2.07 116.97 126.99 1b47 h TYR 274 Ca -0.48 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.35 1b47 h TYR 274 Cb 1.20 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1b47 h TYR 274 CO 0.57 0.36 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.91 1b47 h ASP 275 N 0.87 0.53 0.37 -2.11 3.32 -2.01 -1.98 116.42 115.42 1b47 h ASP 275 Ca 0.48 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 1b47 h ASP 275 Cb 0.54 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1b47 h ASP 275 CO -0.29 0.67 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.25 1b47 h GLU 276 N 0.51 0.00 -0.46 3.56 5.08 -1.87 -2.98 114.58 118.42 1b47 h GLU 276 Ca 0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1b47 h GLU 276 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1b47 h GLU 276 CO 0.03 0.32 -0.05 0.28 -1.00 0.00 0.00 179.01 178.59 1b47 h VAL 277 N 0.00 1.27 -0.24 3.13 2.07 -0.67 -2.52 116.25 119.29 1b47 h VAL 277 Ca -0.00 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1b47 h VAL 277 Cb 0.59 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1b47 h VAL 277 CO 0.04 0.39 0.02 0.11 0.02 0.00 0.00 177.57 178.15 1b47 h LYS 278 N 0.69 0.41 -0.85 1.57 1.57 -1.31 -0.98 116.57 117.67 1b47 h LYS 278 Ca 0.12 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1b47 h LYS 278 Cb 0.57 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1b47 h LYS 278 CO 0.03 0.57 0.56 0.00 -0.57 0.00 0.00 179.45 180.04 1b47 h ALA 279 N 0.82 1.50 -0.05 3.86 0.00 -1.58 0.11 119.26 123.92 1b47 h ALA 279 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1b47 h ALA 279 Cb 0.38 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1b47 h ALA 279 CO 0.01 0.40 0.00 -0.09 0.00 0.00 0.00 179.25 179.57 1b47 h ARG 280 N 1.02 0.09 0.00 0.00 2.43 -1.19 -3.32 114.38 113.41 1b47 h ARG 280 Ca 0.34 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 1b47 h ARG 280 Cb 0.08 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1b47 h ARG 280 CO -0.11 0.36 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.36 1b47 h LEU 281 N -0.19 0.00 -1.98 3.80 3.38 -0.73 -3.21 115.31 116.39 1b47 h LEU 281 Ca 0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.20 1b47 h LEU 281 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1b47 h LEU 281 CO 0.00 0.27 0.57 -0.61 0.09 0.00 0.00 178.44 178.76 1b47 h GLN 282 N 0.00 0.00 0.00 1.13 5.75 -0.90 0.49 115.11 121.58 1b47 h GLN 282 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1b47 h GLN 282 Cb 1.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.56 1b47 h GLN 282 CO 0.04 0.00 0.00 1.63 -2.65 0.00 0.00 178.83 177.85 1b47 n LYS 283 N -4.14 0.24 -0.10 1.69 4.76 -1.21 -1.24 118.16 118.17 1b47 n LYS 283 Ca 0.15 0.08 0.06 0.00 -2.87 0.00 0.00 58.31 55.73 1b47 n LYS 283 Cb 0.84 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 32.63 1b47 n LYS 283 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1b47 n PHE 284 N -1.34 0.17 -0.50 2.13 3.72 0.12 -4.78 117.46 116.99 1b47 n PHE 284 Ca 0.09 -0.75 0.43 0.00 -0.05 0.00 0.00 57.45 57.17 1b47 n PHE 284 Cb 0.20 -0.12 0.72 0.00 -0.94 0.00 0.00 39.48 39.34 1b47 n PHE 284 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1b47 h ILE 285 N 0.43 0.09 -0.09 4.37 6.09 -0.71 0.07 117.51 127.77 1b47 h ILE 285 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1b47 h ILE 285 Cb 0.85 0.10 0.00 0.00 0.47 0.00 0.00 36.82 38.24 1b47 h ILE 285 CO 0.03 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.11 1b47 n HIS 286 N -3.81 0.11 -3.57 2.19 1.44 -1.26 -4.54 115.22 105.78 1b47 n HIS 286 Ca 0.35 -0.06 -0.28 0.00 -2.01 0.00 0.00 57.72 55.72 1b47 n HIS 286 Cb 1.72 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 31.72 1b47 n HIS 286 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1b47 s LYS 287 N -1.89 1.28 0.24 -1.40 2.20 0.01 -5.11 119.74 115.08 1b47 s LYS 287 Ca 0.29 -2.28 -0.30 0.00 -0.36 0.00 0.00 55.97 53.32 1b47 s LYS 287 Cb 0.14 -2.01 -0.15 0.00 -1.51 0.00 0.00 37.83 34.30 1b47 s LYS 287 CO 0.23 -1.30 1.10 -2.30 -0.36 0.00 0.00 175.35 172.71 1b47 n PRO 288 N 2.91 1.33 0.00 4.03 -0.02 -1.26 -2.54 135.00 139.45 1b47 n PRO 288 Ca 0.22 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1b47 n PRO 288 Cb 0.41 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1b47 n PRO 288 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b47 n GLY 289 N 1.61 0.89 3.73 -1.23 0.00 0.14 -4.91 105.19 105.42 1b47 n GLY 289 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1b47 n GLY 289 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b47 s SER 290 N -1.84 6.46 -0.07 1.61 0.01 -1.05 -0.21 113.70 118.60 1b47 s SER 290 Ca 0.00 2.80 -0.20 0.00 1.31 0.00 0.00 55.95 59.86 1b47 s SER 290 Cb 0.00 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.66 1b47 s SER 290 CO 0.00 -0.89 0.47 -0.72 0.41 0.00 0.00 173.24 172.51 1b47 s TYR 291 N 0.69 -0.42 0.31 2.43 1.13 -0.56 -1.10 117.35 119.83 1b47 s TYR 291 Ca 0.68 0.81 0.03 0.00 -1.41 0.00 0.00 57.07 57.18 1b47 s TYR 291 Cb -0.47 0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.56 1b47 s TYR 291 CO 0.38 -0.42 0.10 0.96 -2.51 0.00 0.00 175.55 174.06 1b47 s ILE 292 N -0.84 0.70 -0.06 -3.49 -4.36 -0.52 -1.10 121.20 111.53 1b47 s ILE 292 Ca -0.09 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.25 1b47 s ILE 292 Cb -0.03 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 41.08 1b47 s ILE 292 CO 0.05 0.00 0.15 0.72 0.24 0.00 0.00 174.94 176.10 1b47 s PHE 293 N -3.52 -0.17 0.04 1.37 -0.12 -0.68 -0.92 117.98 113.99 1b47 s PHE 293 Ca 0.35 0.41 0.01 0.00 -0.05 0.00 0.00 56.93 57.65 1b47 s PHE 293 Cb 0.07 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 1b47 s PHE 293 CO 0.15 -0.08 -0.05 -0.98 -0.05 0.00 0.00 175.22 174.21 1b47 s ARG 294 N 0.10 0.50 0.39 1.99 1.70 -0.65 -1.30 118.95 121.67 1b47 s ARG 294 Ca -0.00 -0.84 -0.18 0.00 -0.47 0.00 0.00 55.73 54.24 1b47 s ARG 294 Cb -0.01 -0.07 -0.10 0.00 -0.57 0.00 0.00 34.95 34.20 1b47 s ARG 294 CO 0.00 -0.02 0.86 -0.51 -1.08 0.00 0.00 175.30 174.56 1b47 s LEU 295 N -1.90 3.96 -0.12 -1.89 1.43 -0.69 -1.74 118.68 117.74 1b47 s LEU 295 Ca -0.07 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 1b47 s LEU 295 Cb -0.06 -4.35 0.02 0.00 0.03 0.00 0.00 46.19 41.84 1b47 s LEU 295 CO -0.02 -0.32 -0.14 -0.55 0.23 0.00 0.00 176.35 175.55 1b47 s SER 296 N -2.31 2.44 0.18 2.29 0.15 -1.26 -2.04 113.70 113.15 1b47 s SER 296 Ca 0.58 -0.42 0.19 0.00 0.70 0.00 0.00 55.95 57.00 1b47 s SER 296 Cb -0.10 -1.07 0.84 0.00 -1.71 0.00 0.00 66.02 63.99 1b47 s SER 296 CO 0.16 -0.02 1.58 0.00 1.20 0.00 0.00 173.24 176.17 1b47 n THR 298 N -2.00 0.03 -3.17 0.00 -2.24 -1.26 -4.45 114.28 101.20 1b47 n THR 298 Ca 0.02 -0.20 -0.26 0.00 -2.27 0.00 0.00 64.05 61.33 1b47 n THR 298 Cb 0.17 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 1b47 n THR 298 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b47 n ARG 299 N -1.83 2.52 -1.70 -0.78 1.74 -0.80 -5.11 116.66 110.70 1b47 n ARG 299 Ca 0.01 -4.50 -0.42 0.00 -0.77 0.00 0.00 57.85 52.17 1b47 n ARG 299 Cb 0.43 -2.10 -0.01 0.00 -1.02 0.00 0.00 32.46 29.76 1b47 n ARG 299 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1b47 n LEU 300 N 0.35 3.65 0.00 0.55 4.77 -1.17 -2.82 117.00 122.33 1b47 n LEU 300 Ca 0.29 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.48 1b47 n LEU 300 Cb 0.44 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1b47 n LEU 300 CO 0.34 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1b47 n GLY 301 N 0.83 0.75 3.43 -0.72 0.00 -1.26 -5.00 105.19 103.22 1b47 n GLY 301 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1b47 n GLY 301 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b47 s GLN 302 N -0.52 1.53 0.10 1.61 -0.21 -1.13 -4.18 119.66 116.86 1b47 s GLN 302 Ca 0.00 -1.53 0.03 0.00 0.02 0.00 0.00 55.36 53.88 1b47 s GLN 302 Cb 0.00 -1.85 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 1b47 s GLN 302 CO 0.00 0.40 0.13 -1.58 -2.12 0.00 0.00 175.29 172.12 1b47 s TRP 303 N -1.70 3.26 -0.07 0.91 0.52 -1.26 -4.26 118.94 116.35 1b47 s TRP 303 Ca 0.21 0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.43 1b47 s TRP 303 Cb -0.08 -1.63 0.02 0.00 -1.15 0.00 0.00 33.47 30.64 1b47 s TRP 303 CO 0.10 0.53 -0.06 0.00 0.02 0.00 0.00 176.95 177.55 1b47 s ALA 304 N -1.51 0.91 -0.32 0.98 0.00 -0.71 -4.32 121.76 116.79 1b47 s ALA 304 Ca 0.31 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 1b47 s ALA 304 Cb -0.12 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1b47 s ALA 304 CO 0.24 -0.16 0.20 0.42 0.00 0.00 0.00 175.76 176.46 1b47 s ILE 305 N 1.24 5.05 -0.13 0.00 1.01 -0.08 -1.64 121.20 126.64 1b47 s ILE 305 Ca -0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1b47 s ILE 305 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1b47 s ILE 305 CO -0.02 0.05 0.17 -0.83 0.00 0.00 0.00 174.94 174.32 1b47 s GLY 306 N 1.69 2.17 0.09 6.18 0.00 -0.10 -1.57 107.32 115.78 1b47 s GLY 306 Ca 0.06 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 1b47 s GLY 306 CO 0.09 -0.18 0.27 -2.52 0.00 0.00 0.00 173.10 170.77 1b47 s TYR 307 N -0.67 -0.00 -0.30 1.90 1.13 -0.40 -1.44 117.35 117.56 1b47 s TYR 307 Ca 0.15 -0.33 -0.14 0.00 -1.41 0.00 0.00 57.07 55.34 1b47 s TYR 307 Cb -0.12 0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 1b47 s TYR 307 CO 0.04 -0.58 0.31 0.08 -2.51 0.00 0.00 175.55 172.89 1b47 s VAL 308 N -3.55 5.22 0.81 -3.49 1.01 -0.26 -1.26 120.40 118.88 1b47 s VAL 308 Ca 0.02 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1b47 s VAL 308 Cb 0.03 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.81 1b47 s VAL 308 CO -0.10 0.09 1.17 0.42 0.00 0.00 0.00 175.10 176.69 1b47 s THR 309 N 1.94 2.04 0.49 3.92 -4.23 0.86 -0.68 115.64 119.98 1b47 s THR 309 Ca 0.11 -0.05 0.18 0.00 -1.18 0.00 0.00 61.69 60.75 1b47 s THR 309 Cb -0.16 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.02 1b47 s THR 309 CO 0.11 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.21 1b47 h ALA 310 N -1.06 2.18 -0.42 3.99 0.00 -1.94 -1.83 119.26 120.18 1b47 h ALA 310 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1b47 h ALA 310 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1b47 h ALA 310 CO 0.61 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.17 1b47 n ASP 311 N -4.45 3.37 -1.27 0.00 5.75 -1.26 -4.89 116.55 113.80 1b47 n ASP 311 Ca 0.07 -2.33 -0.11 0.00 -0.01 0.00 0.00 54.79 52.41 1b47 n ASP 311 Cb 0.39 -0.48 -0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1b47 n ASP 311 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b47 n GLY 312 N 0.80 -0.08 3.92 6.12 0.00 -0.69 -5.03 105.19 110.23 1b47 n GLY 312 Ca 0.17 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 1b47 n GLY 312 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b47 s ASN 313 N -2.51 4.89 -0.21 1.61 -0.87 -1.26 -4.91 114.94 111.68 1b47 s ASN 313 Ca 0.00 -0.97 0.02 0.00 -1.57 0.00 0.00 52.86 50.34 1b47 s ASN 313 Cb -0.00 0.01 0.04 0.00 -0.02 0.00 0.00 41.25 41.28 1b47 s ASN 313 CO 0.01 -0.98 -0.15 -0.63 -2.57 0.00 0.00 177.10 172.77 1b47 s ILE 314 N -2.63 2.05 0.31 0.60 1.01 -1.26 -0.10 121.20 121.18 1b47 s ILE 314 Ca 0.45 -1.21 0.08 0.00 0.00 0.00 0.00 60.65 59.98 1b47 s ILE 314 Cb -0.03 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1b47 s ILE 314 CO 0.27 0.29 0.15 -0.76 0.00 0.00 0.00 174.94 174.89 1b47 s LEU 315 N 1.23 3.39 -0.01 2.97 1.43 -0.39 -4.94 118.68 122.36 1b47 s LEU 315 Ca -0.01 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1b47 s LEU 315 Cb -0.16 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1b47 s LEU 315 CO -0.09 -0.22 -0.16 -1.58 0.23 0.00 0.00 176.35 174.52 1b47 s GLN 316 N -3.84 1.36 -0.02 1.70 0.74 -1.26 -1.28 119.66 117.06 1b47 s GLN 316 Ca 0.37 -0.59 0.04 0.00 0.05 0.00 0.00 55.36 55.23 1b47 s GLN 316 Cb -0.05 -1.31 -0.01 0.00 1.10 0.00 0.00 33.01 32.75 1b47 s GLN 316 CO 0.23 0.35 -0.13 0.99 -0.55 0.00 0.00 175.29 176.18 1b47 s THR 317 N -0.36 1.06 -0.51 -0.34 2.01 -0.61 -4.98 115.64 111.91 1b47 s THR 317 Ca 0.06 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 1b47 s THR 317 Cb -0.07 -0.89 0.13 0.00 0.01 0.00 0.00 72.50 71.68 1b47 s THR 317 CO -0.00 0.30 0.39 -0.63 -0.69 0.00 0.00 174.62 173.99 1b47 s ILE 318 N -0.21 4.39 -0.10 1.82 1.01 -1.26 -0.90 121.20 125.93 1b47 s ILE 318 Ca 0.03 -1.86 -0.40 0.00 0.00 0.00 0.00 60.65 58.42 1b47 s ILE 318 Cb -0.06 -3.87 -0.19 0.00 0.01 0.00 0.00 42.46 38.36 1b47 s ILE 318 CO -0.00 -0.81 1.32 -2.65 0.00 0.00 0.00 174.94 172.80 1b47 n PRO 319 N 4.82 0.45 0.00 2.79 -0.02 -1.26 -4.74 135.00 137.04 1b47 n PRO 319 Ca -0.06 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1b47 n PRO 319 Cb 0.41 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1b47 n PRO 319 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1b47 n HIS 320 N 2.71 0.00 0.00 6.00 8.25 -1.26 -4.78 115.22 126.15 1b47 n HIS 320 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1b47 n HIS 320 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1b47 n HIS 320 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1b47 n ASN 321 N -1.39 0.00 -4.71 0.41 0.23 -1.26 -4.97 115.26 103.57 1b47 n ASN 321 Ca 0.00 0.55 -0.23 0.00 -0.53 0.00 0.00 54.58 54.36 1b47 n ASN 321 Cb 0.26 -0.24 -0.07 0.00 -2.08 0.00 0.00 39.78 37.66 1b47 n ASN 321 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1b47 s LYS 322 N -1.38 2.32 0.28 -3.83 -2.85 -1.26 -5.09 119.74 107.93 1b47 s LYS 322 Ca 0.00 -1.57 -0.28 0.00 -1.00 0.00 0.00 55.97 53.12 1b47 s LYS 322 Cb 0.00 -2.13 -0.14 0.00 -2.06 0.00 0.00 37.83 33.50 1b47 s LYS 322 CO 0.00 0.14 0.97 -0.35 0.10 0.00 0.00 175.35 176.21 1b47 n PRO 323 N -1.09 1.26 -0.33 1.78 -0.05 -1.26 -4.82 135.00 130.48 1b47 n PRO 323 Ca -0.04 0.44 0.18 0.00 -0.05 0.00 0.00 63.50 64.04 1b47 n PRO 323 Cb 0.61 -1.78 0.36 0.00 -0.05 0.00 0.00 33.50 32.64 1b47 n PRO 323 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1b47 h LEU 324 N 1.91 -0.21 -0.89 1.53 5.85 -1.85 0.87 115.31 122.52 1b47 h LEU 324 Ca -0.39 0.26 0.14 0.00 0.84 0.00 0.00 57.88 58.73 1b47 h LEU 324 Cb 1.35 0.40 -0.09 0.00 0.37 0.00 0.00 40.66 42.69 1b47 h LEU 324 CO 0.60 -0.34 0.49 0.15 -0.34 0.00 0.00 178.44 179.01 1b47 h PHE 325 N 0.04 0.88 0.15 1.25 3.04 -1.90 0.25 116.94 120.64 1b47 h PHE 325 Ca 0.65 0.03 -0.29 0.00 3.98 0.00 0.00 57.97 62.34 1b47 h PHE 325 Cb 1.44 -0.26 0.01 0.00 2.56 0.00 0.00 35.95 39.70 1b47 h PHE 325 CO -0.35 0.26 -1.35 0.37 -2.02 0.00 0.00 178.31 175.22 1b47 h GLN 326 N 0.73 0.31 -0.52 1.11 5.75 -1.22 -2.28 115.11 118.98 1b47 h GLN 326 Ca 0.47 -0.52 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1b47 h GLN 326 Cb 0.61 0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 1b47 h GLN 326 CO -0.33 1.23 0.20 0.00 -2.65 0.00 0.00 178.83 177.28 1b47 h ALA 327 N 0.49 1.38 -0.30 3.38 0.00 -0.48 0.55 119.26 124.27 1b47 h ALA 327 Ca -0.18 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1b47 h ALA 327 Cb 2.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1b47 h ALA 327 CO 0.20 0.47 -0.07 -0.07 0.00 0.00 0.00 179.25 179.78 1b47 h LEU 328 N 0.74 0.59 -0.28 0.00 3.38 -0.39 -0.25 115.31 119.11 1b47 h LEU 328 Ca 0.18 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1b47 h LEU 328 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1b47 h LEU 328 CO -0.02 0.82 0.15 0.40 0.09 0.00 0.00 178.44 179.88 1b47 h ILE 329 N 0.36 1.13 -0.38 1.22 2.04 -1.29 -0.98 117.51 119.61 1b47 h ILE 329 Ca 0.08 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1b47 h ILE 329 Cb 0.56 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1b47 h ILE 329 CO 0.03 0.13 0.18 0.44 0.00 0.00 0.00 178.15 178.93 1b47 h ASP 330 N 0.33 0.49 0.43 1.72 3.32 -0.84 -2.02 116.42 119.84 1b47 h ASP 330 Ca 0.10 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1b47 h ASP 330 Cb 0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1b47 h ASP 330 CO -0.01 0.48 -0.42 1.23 -1.72 0.00 0.00 179.24 178.79 1b47 h GLY 331 N 0.47 0.00 0.84 2.75 0.00 -0.74 0.71 103.07 107.10 1b47 h GLY 331 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1b47 h GLY 331 CO -0.02 0.00 0.04 -2.75 0.00 0.00 0.00 176.54 173.81 1b47 h PHE 332 N 0.00 0.18 0.00 5.60 3.04 -0.96 0.65 116.94 125.45 1b47 h PHE 332 Ca -0.00 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1b47 h PHE 332 Cb 0.75 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 1b47 h PHE 332 CO 0.00 0.31 -0.06 0.07 -2.02 0.00 0.00 178.31 176.62 1b47 h ARG 333 N 0.00 0.00 0.00 1.11 0.11 -1.26 -2.01 114.38 112.33 1b47 h ARG 333 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1b47 h ARG 333 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1b47 h ARG 333 CO -0.00 0.06 -0.18 0.39 0.10 0.00 0.00 179.97 180.34 1b47 n GLU 334 N -3.16 0.27 0.00 0.08 1.02 0.23 -4.92 120.64 114.17 1b47 n GLU 334 Ca 0.01 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1b47 n GLU 334 Cb 0.37 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1b47 n GLU 334 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b47 n GLY 335 N 1.32 1.03 0.10 0.62 0.00 -0.56 -4.96 105.19 102.73 1b47 n GLY 335 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1b47 n GLY 335 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b47 n PHE 336 N -1.89 0.28 -3.74 1.61 3.72 0.11 -4.68 117.46 112.86 1b47 n PHE 336 Ca 0.00 0.09 -0.30 0.00 -0.05 0.00 0.00 57.45 57.19 1b47 n PHE 336 Cb 0.00 -1.05 -0.10 0.00 -0.94 0.00 0.00 39.48 37.39 1b47 n PHE 336 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1b47 n TYR 337 N -2.90 3.52 -0.11 1.38 4.01 -0.84 -4.39 117.16 117.84 1b47 n TYR 337 Ca -0.31 -4.21 -0.14 0.00 -0.16 0.00 0.00 57.90 53.08 1b47 n TYR 337 Cb 1.11 -0.74 -0.11 0.00 -0.31 0.00 0.00 39.34 39.30 1b47 n TYR 337 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1b47 n LEU 338 N 1.81 2.63 -3.76 7.72 4.77 0.71 -3.73 117.00 127.15 1b47 n LEU 338 Ca 0.22 -0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 1b47 n LEU 338 Cb 0.36 -0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.67 1b47 n LEU 338 CO 0.32 0.82 -0.33 -0.36 -1.33 0.00 0.00 177.39 176.51 1b47 s PHE 339 N -2.44 1.91 0.02 -1.77 0.08 0.26 -4.44 117.98 111.60 1b47 s PHE 339 Ca -0.27 -1.85 -0.30 0.00 0.12 0.00 0.00 56.93 54.62 1b47 s PHE 339 Cb 0.07 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1b47 s PHE 339 CO 0.53 -0.88 1.14 -1.25 -0.10 0.00 0.00 175.22 174.66 1b47 s PRO 340 N 1.55 4.45 -1.71 0.24 0.04 -1.22 -1.50 135.00 136.85 1b47 s PRO 340 Ca 0.10 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.66 1b47 s PRO 340 Cb -0.17 -3.42 0.12 0.00 0.04 0.00 0.00 34.50 31.07 1b47 s PRO 340 CO -0.23 -0.24 0.39 -3.47 0.04 0.00 0.00 177.00 173.48 1b47 n ASP 341 N 4.19 -0.86 0.00 6.66 2.03 -0.26 -1.95 116.55 126.35 1b47 n ASP 341 Ca 0.09 -1.21 0.00 0.00 0.52 0.00 0.00 54.79 54.18 1b47 n ASP 341 Cb 0.48 -1.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.03 1b47 n ASP 341 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b47 n GLY 342 N -1.73 0.25 3.81 0.27 0.00 -0.57 -5.00 105.19 102.22 1b47 n GLY 342 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1b47 n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b47 s ARG 343 N -0.92 3.49 0.12 1.61 0.52 -0.82 -4.97 118.95 117.98 1b47 s ARG 343 Ca 0.00 1.18 -0.06 0.00 -0.52 0.00 0.00 55.73 56.33 1b47 s ARG 343 Cb 0.00 -2.06 -0.10 0.00 0.52 0.00 0.00 34.95 33.31 1b47 s ARG 343 CO 0.00 -0.67 1.30 -0.91 0.02 0.00 0.00 175.30 175.04 1b47 h ASN 344 N 0.66 0.62 -3.44 0.23 -0.26 -1.91 -3.22 115.58 108.27 1b47 h ASN 344 Ca -0.47 -0.48 -0.60 0.00 -0.56 0.00 0.00 56.30 54.19 1b47 h ASN 344 Cb 1.21 -0.19 -0.11 0.00 -1.06 0.00 0.00 38.32 38.18 1b47 h ASN 344 CO 0.58 1.27 -0.20 -1.58 -1.06 0.00 0.00 177.43 176.44 1b47 s GLN 345 N -3.35 4.20 -0.22 0.81 2.00 -1.26 -4.90 119.66 116.94 1b47 s GLN 345 Ca -0.07 0.23 -0.08 0.00 -2.00 0.00 0.00 55.36 53.44 1b47 s GLN 345 Cb 0.09 -3.51 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1b47 s GLN 345 CO 0.88 0.01 0.08 1.21 -0.50 0.00 0.00 175.29 176.97 1b47 s ASN 346 N 0.93 5.51 0.21 6.67 3.04 -1.26 -4.68 114.94 125.36 1b47 s ASN 346 Ca 0.20 -0.03 -0.29 0.00 0.04 0.00 0.00 52.86 52.77 1b47 s ASN 346 Cb -0.15 -1.97 -0.16 0.00 -1.54 0.00 0.00 41.25 37.43 1b47 s ASN 346 CO 0.08 0.07 0.74 -2.65 -3.04 0.00 0.00 177.10 172.30 1b47 n PRO 347 N 4.24 0.47 -2.53 0.43 -0.02 -1.26 -4.92 135.00 131.42 1b47 n PRO 347 Ca -0.16 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.06 1b47 n PRO 347 Cb 0.52 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.64 1b47 n PRO 347 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1b47 s ASP 348 N -0.74 6.56 0.01 2.55 1.11 -1.26 -4.91 116.67 119.98 1b47 s ASP 348 Ca 0.65 0.59 0.22 0.00 0.18 0.00 0.00 52.55 54.19 1b47 s ASP 348 Cb -0.88 -2.55 -0.10 0.00 1.07 0.00 0.00 42.92 40.46 1b47 s ASP 348 CO 0.57 -1.30 0.92 0.18 1.18 0.00 0.00 175.17 176.73 1b47 n LEU 349 N 8.10 0.71 0.00 1.23 4.77 -1.26 -5.21 117.00 125.34 1b47 n LEU 349 Ca 0.13 -0.27 0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1b47 n LEU 349 Cb 0.49 -0.05 0.70 0.00 -2.33 0.00 0.00 43.42 42.23 1b47 n LEU 349 CO 0.71 0.15 0.88 0.35 -1.33 0.00 0.00 177.39 178.16