#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swf s ARG 53 N 0.00 3.63 0.07 -1.46 0.52 -1.26 -2.33 118.95 118.12 1swf s ARG 53 Ca 0.00 -0.28 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1swf s ARG 53 Cb 0.00 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 1swf s ARG 53 CO 0.00 0.52 -0.12 0.71 0.02 0.00 0.00 175.30 176.43 1swf s TYR 54 N -0.32 1.04 0.21 -0.53 1.51 0.45 -4.83 117.35 114.87 1swf s TYR 54 Ca 0.09 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1swf s TYR 54 Cb -0.12 -0.59 -0.09 0.00 -0.11 0.00 0.00 41.96 41.06 1swf s TYR 54 CO 0.01 0.01 1.24 0.08 -1.11 0.00 0.00 175.55 175.79 1swf s VAL 55 N -1.43 3.35 -0.01 0.71 1.01 -1.26 0.11 120.40 122.88 1swf s VAL 55 Ca -0.04 1.16 0.06 0.00 0.00 0.00 0.00 61.98 63.16 1swf s VAL 55 Cb -0.09 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1swf s VAL 55 CO 0.01 0.19 -0.20 -1.48 0.00 0.00 0.00 175.10 173.62 1swf s LEU 56 N -0.41 2.05 0.02 3.92 0.05 0.08 -4.32 118.68 120.07 1swf s LEU 56 Ca 0.53 -0.38 0.02 0.00 0.05 0.00 0.00 54.13 54.35 1swf s LEU 56 Cb -0.35 -1.05 -0.01 0.00 -2.05 0.00 0.00 46.19 42.73 1swf s LEU 56 CO 0.39 0.25 -0.06 0.28 -0.55 0.00 0.00 176.35 176.66 1swf s THR 57 N -0.50 0.42 0.00 5.48 -1.32 -1.09 -0.46 115.64 118.16 1swf s THR 57 Ca 0.08 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 1swf s THR 57 Cb -0.08 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 1swf s THR 57 CO -0.01 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 1swf n GLY 58 N 2.21 1.48 3.08 6.08 0.00 -0.83 -0.47 105.19 116.74 1swf n GLY 58 Ca -0.18 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 1swf n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swf s ARG 59 N -1.49 0.54 0.08 1.61 1.81 -0.39 -1.62 118.95 119.49 1swf s ARG 59 Ca 0.00 -0.95 -0.04 0.00 -1.72 0.00 0.00 55.73 53.03 1swf s ARG 59 Cb 0.00 0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 1swf s ARG 59 CO 0.00 -0.11 0.06 1.52 -0.68 0.00 0.00 175.30 176.09 1swf s TYR 60 N -3.00 0.45 -0.67 -0.53 1.13 0.21 -1.03 117.35 113.90 1swf s TYR 60 Ca -0.02 -0.93 -0.27 0.00 -1.41 0.00 0.00 57.07 54.44 1swf s TYR 60 Cb 0.01 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1swf s TYR 60 CO -0.07 -0.47 1.26 0.34 -2.51 0.00 0.00 175.55 174.11 1swf s ASP 61 N -2.92 6.25 0.00 -0.18 2.15 0.38 -4.44 116.67 117.91 1swf s ASP 61 Ca 0.09 -0.19 0.26 0.00 0.43 0.00 0.00 52.55 53.14 1swf s ASP 61 Cb 0.07 -2.56 1.40 0.00 -0.30 0.00 0.00 42.92 41.53 1swf s ASP 61 CO -0.08 -1.71 1.92 -1.54 -0.17 0.00 0.00 175.17 173.59 1swf n SER 62 N 9.10 0.36 -3.24 -0.34 3.41 -1.26 -3.90 113.62 117.76 1swf n SER 62 Ca 0.06 -1.28 -0.24 0.00 -0.26 0.00 0.00 58.87 57.14 1swf n SER 62 Cb 0.49 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1swf n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swf n ALA 63 N -0.64 2.86 -0.91 7.33 0.00 -1.26 -5.00 120.51 122.90 1swf n ALA 63 Ca 0.19 -3.77 -0.31 0.00 0.00 0.00 0.00 53.44 49.55 1swf n ALA 63 Cb 0.15 -0.84 0.15 0.00 0.00 0.00 0.00 19.45 18.90 1swf n ALA 63 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1swf s PRO 64 N -1.69 1.31 0.89 0.00 0.02 -1.25 -5.03 135.00 129.25 1swf s PRO 64 Ca 0.37 1.33 -0.11 0.00 0.02 0.00 0.00 61.00 62.60 1swf s PRO 64 Cb 0.19 -1.78 0.12 0.00 0.02 0.00 0.00 34.50 33.05 1swf s PRO 64 CO -0.08 -2.35 1.09 0.00 -0.33 0.00 0.00 177.00 175.32 1swf s ALA 65 N -2.74 1.58 -0.07 -1.55 0.00 -1.26 -4.99 121.76 112.73 1swf s ALA 65 Ca 0.65 -0.00 0.10 0.00 0.00 0.00 0.00 51.96 52.71 1swf s ALA 65 Cb -0.21 -3.21 0.18 0.00 0.00 0.00 0.00 23.12 19.88 1swf s ALA 65 CO 0.58 -2.33 1.09 0.25 0.00 0.00 0.00 175.76 175.34 1swf n THR 66 N -3.87 0.89 1.77 0.00 -2.24 -1.26 -4.54 114.28 105.02 1swf n THR 66 Ca 0.07 -1.19 0.10 0.00 -2.27 0.00 0.00 64.05 60.76 1swf n THR 66 Cb 0.55 0.20 0.50 0.00 -2.10 0.00 0.00 70.33 69.48 1swf n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swf n ASP 67 N -0.60 0.50 0.00 3.42 5.68 -1.26 -4.80 116.55 119.49 1swf n ASP 67 Ca 0.08 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1swf n ASP 67 Cb 0.71 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1swf n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swf n GLY 68 N 0.89 1.03 3.66 6.12 0.00 -1.26 -5.10 105.19 110.53 1swf n GLY 68 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1swf n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swf s SER 69 N -2.00 2.50 0.84 1.61 0.01 -1.26 -5.03 113.70 110.38 1swf s SER 69 Ca 0.00 1.29 -0.11 0.00 1.31 0.00 0.00 55.95 58.44 1swf s SER 69 Cb 0.00 -1.97 0.13 0.00 0.21 0.00 0.00 66.02 64.39 1swf s SER 69 CO 0.00 -3.22 1.19 -0.83 0.41 0.00 0.00 173.24 170.79 1swf s GLY 70 N -3.31 1.71 -0.34 3.44 0.00 -1.26 -4.88 107.32 102.67 1swf s GLY 70 Ca 0.65 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.23 1swf s GLY 70 CO 0.58 -0.45 0.16 -1.59 0.00 0.00 0.00 173.10 171.81 1swf s THR 71 N -3.59 4.40 0.29 0.90 2.01 -0.58 -4.74 115.64 114.32 1swf s THR 71 Ca 0.67 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.61 1swf s THR 71 Cb -0.07 -3.38 -0.10 0.00 0.01 0.00 0.00 72.50 68.95 1swf s THR 71 CO 0.49 -0.11 1.18 0.00 -0.69 0.00 0.00 174.62 175.49 1swf s ALA 72 N 1.54 3.44 0.33 7.40 0.00 -1.26 -0.56 121.76 132.65 1swf s ALA 72 Ca 0.02 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 1swf s ALA 72 Cb -0.18 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1swf s ALA 72 CO 0.05 -0.35 0.51 -0.48 0.00 0.00 0.00 175.76 175.49 1swf s LEU 73 N -1.46 0.77 -0.05 0.00 0.05 -0.94 -0.47 118.68 116.59 1swf s LEU 73 Ca 0.47 -1.35 -0.29 0.00 0.05 0.00 0.00 54.13 53.01 1swf s LEU 73 Cb -0.35 1.66 0.11 0.00 -2.05 0.00 0.00 46.19 45.56 1swf s LEU 73 CO 0.45 -1.31 0.89 -0.83 -0.55 0.00 0.00 176.35 175.00 1swf s GLY 74 N -3.18 -0.42 0.22 -3.48 0.00 -0.20 -2.23 107.32 98.03 1swf s GLY 74 Ca 0.27 1.31 -0.13 0.00 0.00 0.00 0.00 44.72 46.17 1swf s GLY 74 CO 0.17 0.58 0.46 0.66 0.00 0.00 0.00 173.10 174.97 1swf s TRP 75 N -2.41 0.25 -0.02 1.90 -2.14 -0.09 -1.26 118.94 115.17 1swf s TRP 75 Ca 0.02 -0.61 0.04 0.00 2.66 0.00 0.00 56.10 58.21 1swf s TRP 75 Cb -0.01 0.20 -0.01 0.00 -3.10 0.00 0.00 33.47 30.56 1swf s TRP 75 CO -0.05 -0.93 -0.14 0.99 -2.66 0.00 0.00 176.95 174.16 1swf s THR 76 N -3.97 1.15 -0.12 0.66 2.01 0.38 -1.11 115.64 114.64 1swf s THR 76 Ca 0.18 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1swf s THR 76 Cb -0.00 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1swf s THR 76 CO 0.05 0.33 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 1swf s VAL 77 N -0.10 1.45 -0.16 3.82 1.01 -0.37 -2.69 120.40 123.37 1swf s VAL 77 Ca 0.01 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1swf s VAL 77 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1swf s VAL 77 CO 0.00 0.43 0.45 0.00 0.00 0.00 0.00 175.10 175.99 1swf s ALA 78 N 1.15 3.52 -1.31 5.51 0.00 -1.26 -1.48 121.76 127.89 1swf s ALA 78 Ca -0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 1swf s ALA 78 Cb -0.14 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.25 1swf s ALA 78 CO -0.04 -0.16 2.96 0.91 0.00 0.00 0.00 175.76 179.43 1swf n TRP 79 N 4.11 2.09 -3.79 0.00 7.02 -0.28 -4.74 117.44 121.83 1swf n TRP 79 Ca -0.07 -2.79 -0.20 0.00 -1.02 0.00 0.00 57.50 53.41 1swf n TRP 79 Cb 0.51 -2.22 -0.17 0.00 -2.42 0.00 0.00 31.31 27.01 1swf n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swf s LYS 80 N 1.31 0.31 0.15 -0.99 2.20 -1.26 -1.95 119.74 119.51 1swf s LYS 80 Ca 0.67 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 56.48 1swf s LYS 80 Cb 0.21 -0.68 -0.01 0.00 -1.51 0.00 0.00 37.83 35.84 1swf s LYS 80 CO -0.06 -0.26 0.08 0.27 -0.36 0.00 0.00 175.35 175.01 1swf n ASN 81 N 4.88 0.57 -0.33 1.43 0.23 -0.63 -4.81 115.26 116.62 1swf n ASN 81 Ca -0.12 -1.84 0.15 0.00 -0.53 0.00 0.00 54.58 52.24 1swf n ASN 81 Cb 0.50 0.49 0.31 0.00 -2.08 0.00 0.00 39.78 39.00 1swf n ASN 81 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1swf h ASN 82 N 0.69 -0.33 0.08 0.53 -1.07 -2.00 -3.06 115.58 110.41 1swf h ASN 82 Ca -0.11 0.26 -0.36 0.00 0.07 0.00 0.00 56.30 56.16 1swf h ASN 82 Cb 0.47 0.43 -0.06 0.00 -2.07 0.00 0.00 38.32 37.08 1swf h ASN 82 CO 0.17 -0.32 -2.28 -1.22 0.07 0.00 0.00 177.43 173.84 1swf n TYR 83 N -5.42 0.22 -4.25 4.14 4.01 -1.26 -5.03 117.16 109.58 1swf n TYR 83 Ca 0.24 0.07 -0.17 0.00 -0.16 0.00 0.00 57.90 57.88 1swf n TYR 83 Cb 0.78 -1.04 -0.09 0.00 -0.31 0.00 0.00 39.34 38.69 1swf n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swf s ARG 84 N -2.52 1.59 -0.29 -0.72 3.03 -1.16 -5.13 118.95 113.75 1swf s ARG 84 Ca -0.15 -1.88 -0.01 0.00 2.03 0.00 0.00 55.73 55.72 1swf s ARG 84 Cb 0.07 0.31 0.18 0.00 -1.03 0.00 0.00 34.95 34.49 1swf s ARG 84 CO 0.78 -0.57 0.56 1.21 -1.13 0.00 0.00 175.30 176.14 1swf s ASN 85 N -3.30 -1.11 0.00 -2.89 3.84 -1.26 -1.60 114.94 108.63 1swf s ASN 85 Ca 0.40 0.68 0.20 0.00 0.21 0.00 0.00 52.86 54.35 1swf s ASN 85 Cb 0.04 1.96 0.53 0.00 -0.55 0.00 0.00 41.25 43.23 1swf s ASN 85 CO 0.22 -0.27 1.44 0.00 -2.79 0.00 0.00 177.10 175.70 1swf n ALA 86 N 5.42 2.44 -4.04 1.71 0.00 -0.82 -4.97 120.51 120.25 1swf n ALA 86 Ca -0.01 -0.88 -0.31 0.00 0.00 0.00 0.00 53.44 52.24 1swf n ALA 86 Cb 0.51 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1swf n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swf n HIS 87 N 1.06 -1.53 -3.56 0.00 -0.00 -1.26 -4.88 115.22 105.05 1swf n HIS 87 Ca 0.18 0.56 -0.11 0.00 -0.00 0.00 0.00 57.72 58.36 1swf n HIS 87 Cb 0.48 -3.29 -0.04 0.00 -0.00 0.00 0.00 29.99 27.14 1swf n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1swf s SER 88 N -4.13 -0.35 0.00 0.41 1.04 -1.26 -1.31 113.70 108.11 1swf s SER 88 Ca 0.14 -0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.38 1swf s SER 88 Cb -0.06 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.57 1swf s SER 88 CO 0.93 -0.88 -0.00 0.00 0.98 0.00 0.00 173.24 174.26 1swf s ALA 89 N -3.72 0.01 -0.02 5.32 0.00 -0.05 -1.13 121.76 122.17 1swf s ALA 89 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 51.95 1swf s ALA 89 Cb 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1swf s ALA 89 CO -0.12 -0.02 -0.18 0.99 0.00 0.00 0.00 175.76 176.43 1swf s THR 90 N -0.20 2.79 -0.03 0.00 2.01 -0.55 -0.86 115.64 118.79 1swf s THR 90 Ca -0.02 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1swf s THR 90 Cb -0.01 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1swf s THR 90 CO -0.00 0.53 -0.23 0.42 -0.69 0.00 0.00 174.62 174.65 1swf s THR 91 N -0.75 1.84 -0.14 -0.82 -4.23 -0.30 -1.23 115.64 109.99 1swf s THR 91 Ca 0.12 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.63 1swf s THR 91 Cb -0.10 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.17 1swf s THR 91 CO 0.01 0.52 -0.07 0.26 -0.54 0.00 0.00 174.62 174.80 1swf s TRP 92 N -0.34 2.95 -0.08 3.99 0.51 -0.27 -1.31 118.94 124.39 1swf s TRP 92 Ca 0.03 -0.40 0.05 0.00 -2.12 0.00 0.00 56.10 53.66 1swf s TRP 92 Cb -0.11 -1.91 -0.00 0.00 -0.81 0.00 0.00 33.47 30.64 1swf s TRP 92 CO 0.01 -0.08 -0.24 0.45 -0.51 0.00 0.00 176.95 176.58 1swf s SER 93 N 0.31 3.04 0.00 2.95 0.15 -0.36 -0.91 113.70 118.87 1swf s SER 93 Ca -0.06 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1swf s SER 93 Cb -0.15 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1swf s SER 93 CO 0.04 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1swf n GLY 94 N 3.34 0.59 2.98 9.45 0.00 -0.95 -1.15 105.19 119.46 1swf n GLY 94 Ca -0.19 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1swf n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swf s GLN 95 N -0.83 0.34 0.04 1.61 -2.07 0.10 -2.21 119.66 116.65 1swf s GLN 95 Ca 0.00 -0.47 -0.26 0.00 -1.82 0.00 0.00 55.36 52.81 1swf s GLN 95 Cb 0.00 -0.12 -0.05 0.00 -1.09 0.00 0.00 33.01 31.74 1swf s GLN 95 CO 0.00 0.02 0.81 -0.47 -1.32 0.00 0.00 175.29 174.33 1swf s TYR 96 N -0.94 3.73 -0.29 9.60 6.14 0.27 -0.36 117.35 135.50 1swf s TYR 96 Ca -0.08 1.53 0.02 0.00 0.64 0.00 0.00 57.07 59.18 1swf s TYR 96 Cb -0.07 -2.88 0.07 0.00 0.42 0.00 0.00 41.96 39.50 1swf s TYR 96 CO -0.00 0.23 -0.05 0.08 0.64 0.00 0.00 175.55 176.45 1swf s VAL 97 N 0.10 2.35 1.15 3.14 1.01 0.14 -1.52 120.40 126.76 1swf s VAL 97 Ca 0.41 -1.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 1swf s VAL 97 Cb -0.21 -2.47 0.26 0.00 0.00 0.00 0.00 36.38 33.96 1swf s VAL 97 CO 0.24 -0.20 1.06 -0.83 0.00 0.00 0.00 175.10 175.37 1swf s GLY 98 N 1.10 1.54 0.00 4.51 0.00 -1.26 -2.28 107.32 110.93 1swf s GLY 98 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1swf s GLY 98 CO -0.05 0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.91 1swf n GLY 99 N -0.24 -0.34 0.37 0.20 0.00 -1.26 -4.78 105.19 99.14 1swf n GLY 99 Ca 0.07 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.46 1swf n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swf h ALA 100 N 0.00 1.48 -3.70 4.61 0.00 -1.96 -3.22 119.26 116.47 1swf h ALA 100 Ca 0.00 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1swf h ALA 100 Cb 0.00 -0.25 -0.40 0.00 0.00 0.00 0.00 17.79 17.14 1swf h ALA 100 CO 0.00 0.32 -0.73 -2.00 0.00 0.00 0.00 179.25 176.85 1swf s GLU 101 N -5.98 1.53 0.18 0.00 2.56 -1.26 -4.68 118.70 111.04 1swf s GLU 101 Ca -0.12 -1.83 -0.30 0.00 0.00 0.00 0.00 54.97 52.72 1swf s GLU 101 Cb 0.21 -3.17 -0.08 0.00 2.00 0.00 0.00 34.13 33.09 1swf s GLU 101 CO 0.81 -0.91 1.15 0.00 -0.56 0.00 0.00 175.26 175.75 1swf s ALA 102 N 0.92 3.40 0.07 6.30 0.00 -1.22 -4.92 121.76 126.31 1swf s ALA 102 Ca 0.09 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1swf s ALA 102 Cb -0.19 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1swf s ALA 102 CO -0.08 -0.29 -0.08 1.03 0.00 0.00 0.00 175.76 176.34 1swf s ARG 103 N -0.27 0.66 -0.15 0.00 0.52 -0.96 -1.85 118.95 116.89 1swf s ARG 103 Ca 0.51 -0.99 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1swf s ARG 103 Cb -0.31 -0.28 0.02 0.00 0.52 0.00 0.00 34.95 34.90 1swf s ARG 103 CO 0.36 0.03 -0.15 0.42 0.02 0.00 0.00 175.30 175.97 1swf s ILE 104 N -2.24 1.66 -0.21 1.52 1.01 -0.20 0.23 121.20 122.97 1swf s ILE 104 Ca -0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 1swf s ILE 104 Cb -0.04 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1swf s ILE 104 CO -0.01 0.47 0.05 0.20 0.00 0.00 0.00 174.94 175.65 1swf s ASN 105 N 1.42 5.26 0.18 3.58 0.01 0.51 -1.19 114.94 124.71 1swf s ASN 105 Ca 0.04 -0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 1swf s ASN 105 Cb -0.13 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.57 1swf s ASN 105 CO -0.11 0.06 -0.09 0.42 -1.51 0.00 0.00 177.10 175.88 1swf s THR 106 N 1.03 1.26 0.01 1.60 -4.23 -0.55 0.02 115.64 114.78 1swf s THR 106 Ca 0.04 -2.09 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 1swf s THR 106 Cb -0.14 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 1swf s THR 106 CO 0.03 -0.62 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.13 1swf s GLN 107 N -3.75 1.93 0.16 3.99 -0.21 -0.30 -1.63 119.66 119.84 1swf s GLN 107 Ca 0.21 -0.97 0.06 0.00 0.02 0.00 0.00 55.36 54.68 1swf s GLN 107 Cb 0.03 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 1swf s GLN 107 CO 0.04 0.52 -0.14 1.67 -2.12 0.00 0.00 175.29 175.26 1swf s TRP 108 N -0.67 1.52 -0.11 0.91 1.48 0.23 -1.23 118.94 121.06 1swf s TRP 108 Ca 0.10 -0.59 0.01 0.00 -1.06 0.00 0.00 56.10 54.56 1swf s TRP 108 Cb -0.10 -0.75 0.02 0.00 -1.16 0.00 0.00 33.47 31.48 1swf s TRP 108 CO 0.00 0.22 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.47 1swf s LEU 109 N -2.88 1.62 -0.29 -4.66 1.43 -0.43 -1.87 118.68 111.59 1swf s LEU 109 Ca 0.15 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1swf s LEU 109 Cb -0.02 -1.04 0.04 0.00 0.03 0.00 0.00 46.19 45.19 1swf s LEU 109 CO 0.04 -0.02 0.01 -0.22 0.23 0.00 0.00 176.35 176.39 1swf s LEU 110 N 1.19 3.74 -0.13 1.79 2.96 -0.01 -1.15 118.68 127.07 1swf s LEU 110 Ca -0.03 -1.07 -0.01 0.00 -0.22 0.00 0.00 54.13 52.81 1swf s LEU 110 Cb -0.14 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1swf s LEU 110 CO -0.04 -0.22 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.79 1swf s THR 111 N 1.33 3.45 -0.03 3.68 2.01 -0.04 0.11 115.64 126.14 1swf s THR 111 Ca -0.02 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1swf s THR 111 Cb -0.18 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1swf s THR 111 CO -0.01 0.53 -0.03 -0.44 -0.69 0.00 0.00 174.62 173.98 1swf s SER 112 N 0.14 4.92 0.21 3.53 0.01 -0.64 -0.88 113.70 121.00 1swf s SER 112 Ca -0.04 -0.02 -0.31 0.00 1.31 0.00 0.00 55.95 56.90 1swf s SER 112 Cb -0.14 -1.26 -0.10 0.00 0.21 0.00 0.00 66.02 64.72 1swf s SER 112 CO 0.04 0.32 1.50 -0.83 0.41 0.00 0.00 173.24 174.68 1swf s GLY 113 N -1.24 1.97 0.12 3.44 0.00 -0.42 -4.84 107.32 106.34 1swf s GLY 113 Ca 0.16 1.36 0.01 0.00 0.00 0.00 0.00 44.72 46.25 1swf s GLY 113 CO 0.06 2.45 -0.01 -0.51 0.00 0.00 0.00 173.10 175.09 1swf s THR 114 N 0.53 0.47 0.87 0.90 -4.23 -1.26 -5.02 115.64 107.90 1swf s THR 114 Ca 0.64 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 1swf s THR 114 Cb -0.43 -1.84 0.12 0.00 1.34 0.00 0.00 72.50 71.68 1swf s THR 114 CO 0.38 -0.71 1.16 0.42 -0.54 0.00 0.00 174.62 175.33 1swf s THR 115 N -3.78 2.00 0.25 3.99 -4.23 -1.26 -4.86 115.64 107.74 1swf s THR 115 Ca 0.17 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1swf s THR 115 Cb 0.07 -2.85 0.23 0.00 1.34 0.00 0.00 72.50 71.29 1swf s THR 115 CO -0.02 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 175.81 1swf h GLU 116 N -1.34 0.87 0.00 3.99 4.81 -2.02 -2.15 114.58 118.75 1swf h GLU 116 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1swf h GLU 116 Cb 1.33 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1swf h GLU 116 CO 0.63 0.58 0.00 0.00 -0.73 0.00 0.00 179.01 179.49 1swf n ALA 117 N -2.36 1.77 0.01 2.92 0.00 -1.26 -2.60 120.51 118.98 1swf n ALA 117 Ca 0.14 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.55 1swf n ALA 117 Cb 0.25 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.48 1swf n ALA 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1swf n ASN 118 N -1.50 2.07 0.18 0.00 3.02 -0.84 -4.68 115.26 113.50 1swf n ASN 118 Ca 0.04 -1.75 0.17 0.00 -0.03 0.00 0.00 54.58 53.01 1swf n ASN 118 Cb 0.19 -0.07 0.78 0.00 -0.61 0.00 0.00 39.78 40.08 1swf n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swf h ALA 119 N 0.85 1.95 0.00 5.41 0.00 -1.21 -2.15 119.26 124.11 1swf h ALA 119 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1swf h ALA 119 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1swf h ALA 119 CO 0.00 -0.32 -0.34 0.11 0.00 0.00 0.00 179.25 178.70 1swf h TRP 120 N 0.00 0.00 -0.65 0.00 5.08 -1.83 -2.58 115.95 115.97 1swf h TRP 120 Ca 0.10 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.74 1swf h TRP 120 Cb 0.52 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 26.47 1swf h TRP 120 CO 0.00 0.34 0.26 0.36 -1.28 0.00 0.00 178.44 178.12 1swf n LYS 121 N -3.60 2.04 0.06 0.12 2.85 -0.81 -4.70 118.16 114.12 1swf n LYS 121 Ca -0.01 -3.11 0.11 0.00 -1.05 0.00 0.00 58.31 54.26 1swf n LYS 121 Cb 0.46 -1.99 -0.05 0.00 -0.65 0.00 0.00 35.03 32.81 1swf n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swf n SER 122 N -1.13 0.56 -4.19 -5.58 3.41 -0.97 -4.91 113.62 100.81 1swf n SER 122 Ca 0.46 0.15 -0.32 0.00 -0.26 0.00 0.00 58.87 58.90 1swf n SER 122 Cb 1.34 0.95 -0.17 0.00 -0.26 0.00 0.00 64.21 66.07 1swf n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swf s THR 123 N -3.38 2.03 0.22 6.66 2.01 -1.26 -1.62 115.64 120.30 1swf s THR 123 Ca -0.02 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 1swf s THR 123 Cb 0.12 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1swf s THR 123 CO 0.83 0.55 0.40 -0.76 -0.69 0.00 0.00 174.62 174.95 1swf s LEU 124 N 0.60 4.21 0.03 4.42 1.43 0.12 -4.91 118.68 124.57 1swf s LEU 124 Ca -0.13 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1swf s LEU 124 Cb -0.17 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 1swf s LEU 124 CO 0.03 -0.07 -0.12 0.54 0.23 0.00 0.00 176.35 176.96 1swf s VAL 125 N -1.93 0.90 0.00 -1.59 0.11 -1.26 -0.83 120.40 115.80 1swf s VAL 125 Ca 0.38 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1swf s VAL 125 Cb -0.11 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1swf s VAL 125 CO 0.30 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1swf n GLY 126 N 1.97 1.99 3.20 6.54 0.00 -0.78 -5.00 105.19 113.12 1swf n GLY 126 Ca -0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1swf n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swf s HIS 127 N -6.30 0.05 -0.08 1.61 -3.43 -1.26 -0.60 115.29 105.29 1swf s HIS 127 Ca 0.00 -0.33 -0.24 0.00 -0.80 0.00 0.00 55.06 53.68 1swf s HIS 127 Cb 0.00 -0.01 0.05 0.00 -1.43 0.00 0.00 32.58 31.19 1swf s HIS 127 CO 0.00 -0.49 0.55 0.34 -2.00 0.00 0.00 174.74 173.15 1swf s ASP 128 N -2.37 -0.52 -0.08 7.38 -1.08 -0.65 -4.95 116.67 114.41 1swf s ASP 128 Ca -0.01 0.64 0.05 0.00 -0.52 0.00 0.00 52.55 52.71 1swf s ASP 128 Cb 0.01 0.62 -0.00 0.00 -1.46 0.00 0.00 42.92 42.09 1swf s ASP 128 CO -0.06 -0.47 -0.23 -0.89 0.52 0.00 0.00 175.17 174.03 1swf s THR 129 N -0.89 1.95 0.10 1.71 2.01 -1.26 -1.48 115.64 117.77 1swf s THR 129 Ca -0.09 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 60.99 1swf s THR 129 Cb -0.02 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1swf s THR 129 CO 0.06 0.54 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.13 1swf s PHE 130 N 0.17 2.88 0.02 4.92 0.40 -0.33 -4.25 117.98 121.78 1swf s PHE 130 Ca -0.12 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1swf s PHE 130 Cb -0.16 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1swf s PHE 130 CO 0.06 0.46 -0.15 -0.08 0.70 0.00 0.00 175.22 176.21 1swf s THR 131 N -1.27 1.18 0.03 0.64 -1.32 -0.22 -1.03 115.64 113.65 1swf s THR 131 Ca 0.24 -0.84 -0.23 0.00 -1.21 0.00 0.00 61.69 59.65 1swf s THR 131 Cb -0.11 -1.02 -0.06 0.00 -1.51 0.00 0.00 72.50 69.80 1swf s THR 131 CO 0.16 0.17 0.68 -0.75 -2.21 0.00 0.00 174.62 172.67 1swf s LYS 132 N -0.78 4.41 0.25 7.08 2.20 -0.77 -1.47 119.74 130.67 1swf s LYS 132 Ca 0.04 0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 56.26 1swf s LYS 132 Cb -0.07 -3.35 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 1swf s LYS 132 CO 0.00 0.34 1.30 0.14 -0.36 0.00 0.00 175.35 176.78 1swf s VAL 133 N -0.19 3.03 0.33 4.02 -7.23 0.11 -4.79 120.40 115.68 1swf s VAL 133 Ca 0.35 0.92 0.07 0.00 -1.81 0.00 0.00 61.98 61.51 1swf s VAL 133 Cb -0.20 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 1swf s VAL 133 CO 0.20 0.17 0.29 -0.54 -0.31 0.00 0.00 175.10 174.92 1swf s LYS 134 N -0.82 2.78 0.51 4.82 1.02 -1.26 -4.74 119.74 122.05 1swf s LYS 134 Ca 0.53 -1.25 -0.22 0.00 0.02 0.00 0.00 55.97 55.06 1swf s LYS 134 Cb -0.38 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 1swf s LYS 134 CO 0.44 0.13 1.24 -2.14 -0.92 0.00 0.00 175.35 174.10 1swf s PRO 135 N -3.99 3.42 0.50 -1.68 0.02 -1.26 -4.99 135.00 127.02 1swf s PRO 135 Ca 0.40 1.95 -0.23 0.00 0.02 0.00 0.00 61.00 63.14 1swf s PRO 135 Cb -0.06 -2.28 -0.07 0.00 0.02 0.00 0.00 34.50 32.11 1swf s PRO 135 CO 0.27 -0.88 1.36 -1.13 -0.33 0.00 0.00 177.00 176.29 1swf n SER 136 N -0.85 2.83 -0.29 2.53 3.41 -1.26 -4.52 113.62 115.47 1swf n SER 136 Ca 0.09 1.04 0.13 0.00 -0.26 0.00 0.00 58.87 59.87 1swf n SER 136 Cb 0.47 -1.57 0.37 0.00 -0.26 0.00 0.00 64.21 63.22 1swf n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swf h ALA 137 N 1.77 1.83 0.00 7.33 0.00 -1.92 -1.43 119.26 126.83 1swf h ALA 137 Ca -0.50 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1swf h ALA 137 Cb 1.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1swf h ALA 137 CO 0.58 -0.10 -0.11 0.00 0.00 0.00 0.00 179.25 179.63 1swf h ALA 138 N 1.60 1.22 -0.01 0.00 0.00 -1.99 -0.72 119.26 119.36 1swf h ALA 138 Ca 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1swf h ALA 138 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1swf h ALA 138 CO -0.24 0.14 -0.23 0.43 0.00 0.00 0.00 179.25 179.35 1swf n SER 139 N -3.54 0.93 0.00 0.00 7.64 -0.91 -4.93 113.62 112.82 1swf n SER 139 Ca -0.01 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1swf n SER 139 Cb 0.25 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1swf n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1swf n GLY 140 N 1.33 1.23 7.00 0.23 0.00 -0.28 -5.03 105.19 109.67 1swf n GLY 140 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1swf n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swf n GLY 141 N -0.34 2.72 0.00 -0.02 0.00 -0.59 -4.92 105.19 102.04 1swf n GLY 141 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1swf n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swf n GLY 142 N 0.00 -0.49 3.91 -0.02 0.00 -1.26 -4.69 105.19 102.63 1swf n GLY 142 Ca 0.00 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 1swf n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1swf s SER 143 N -1.95 6.30 0.51 1.61 1.04 -1.26 -4.35 113.70 115.60 1swf s SER 143 Ca 0.00 0.86 -0.22 0.00 0.48 0.00 0.00 55.95 57.07 1swf s SER 143 Cb 0.00 -2.22 -0.07 0.00 0.10 0.00 0.00 66.02 63.83 1swf s SER 143 CO 0.00 -0.50 1.14 0.00 0.98 0.00 0.00 173.24 174.86 1swf n ALA 13 N -2.04 0.77 -1.76 5.32 0.00 -1.26 -4.83 120.51 116.71 1swf n ALA 13 Ca -0.00 0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.21 1swf n ALA 13 Cb 0.55 -2.20 0.02 0.00 0.00 0.00 0.00 19.45 17.83 1swf n ALA 13 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1swf s GLU 14 N -2.51 3.27 0.68 0.00 -1.05 -1.26 -4.93 118.70 112.91 1swf s GLU 14 Ca 0.69 1.95 -0.15 0.00 -0.15 0.00 0.00 54.97 57.31 1swf s GLU 14 Cb -0.47 -2.19 0.01 0.00 -0.44 0.00 0.00 34.13 31.05 1swf s GLU 14 CO 0.52 -1.00 1.14 0.00 0.95 0.00 0.00 175.26 176.88 1swf s ALA 15 N -1.48 2.35 0.00 -0.84 0.00 -1.26 -4.92 121.76 115.61 1swf s ALA 15 Ca 0.71 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1swf s ALA 15 Cb -0.33 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1swf s ALA 15 CO 0.39 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1swf n GLY 16 N -0.19 3.73 0.07 0.00 0.00 -1.26 -4.92 105.19 102.62 1swf n GLY 16 Ca 0.11 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1swf n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1swf h ILE 17 N 0.66 1.44 -2.13 -0.61 2.04 -1.98 -3.46 117.51 113.47 1swf h ILE 17 Ca 0.00 -3.16 -0.60 0.00 1.00 0.00 0.00 64.86 62.09 1swf h ILE 17 Cb 0.00 2.74 0.04 0.00 -0.74 0.00 0.00 36.82 38.86 1swf h ILE 17 CO 0.00 0.84 0.92 0.41 0.00 0.00 0.00 178.15 180.32 1swf n THR 18 N -3.30 0.27 -2.08 -0.27 -1.04 -1.26 -4.81 114.28 101.78 1swf n THR 18 Ca -0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1swf n THR 18 Cb 0.98 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 1swf n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swf n GLY 19 N 3.84 -0.12 3.50 3.41 0.00 -1.12 -5.01 105.19 109.68 1swf n GLY 19 Ca 0.20 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1swf n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swf s THR 20 N -3.29 3.68 -0.01 2.61 2.01 -1.26 -1.94 115.64 117.44 1swf s THR 20 Ca 0.00 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.59 1swf s THR 20 Cb 0.00 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1swf s THR 20 CO 0.00 0.53 -0.13 0.26 -0.69 0.00 0.00 174.62 174.59 1swf s TRP 21 N 0.05 1.15 0.07 4.92 0.52 -0.25 0.10 118.94 125.50 1swf s TRP 21 Ca -0.01 -0.22 0.05 0.00 0.02 0.00 0.00 56.10 55.94 1swf s TRP 21 Cb -0.14 -0.74 -0.03 0.00 -1.15 0.00 0.00 33.47 31.41 1swf s TRP 21 CO 0.03 -0.02 -0.13 1.52 0.02 0.00 0.00 176.95 178.36 1swf s TYR 22 N -0.29 1.18 0.51 -1.98 1.13 -0.54 -1.06 117.35 116.31 1swf s TYR 22 Ca 0.05 -0.48 0.09 0.00 -1.41 0.00 0.00 57.07 55.31 1swf s TYR 22 Cb -0.05 -0.66 0.06 0.00 -1.10 0.00 0.00 41.96 40.21 1swf s TYR 22 CO -0.00 0.05 0.70 0.54 -2.51 0.00 0.00 175.55 174.32 1swf s ASN 23 N -1.83 5.30 0.60 -0.18 2.20 -0.23 -1.06 114.94 119.75 1swf s ASN 23 Ca -0.01 -0.70 0.39 0.00 -0.94 0.00 0.00 52.86 51.60 1swf s ASN 23 Cb -0.09 -0.07 1.90 0.00 -2.00 0.00 0.00 41.25 41.00 1swf s ASN 23 CO 0.02 -1.11 2.17 0.06 -2.94 0.00 0.00 177.10 175.30 1swf h GLN 24 N 0.37 0.00 -0.01 3.55 -0.00 -1.89 -1.50 115.11 115.64 1swf h GLN 24 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1swf h GLN 24 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1swf h GLN 24 CO 0.43 0.00 -0.46 1.28 -0.00 0.00 0.00 178.83 180.08 1swf n LEU 25 N -3.03 1.12 0.00 0.06 4.32 -1.26 -4.93 117.00 113.27 1swf n LEU 25 Ca -0.01 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.64 1swf n LEU 25 Cb 0.17 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1swf n LEU 25 CO 0.23 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 1swf n GLY 26 N 1.42 0.39 3.79 -0.72 0.00 -0.56 -5.07 105.19 104.43 1swf n GLY 26 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1swf n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swf s SER 27 N -2.56 6.56 0.03 1.61 0.01 -1.26 -4.86 113.70 113.23 1swf s SER 27 Ca 0.00 2.01 0.02 0.00 1.31 0.00 0.00 55.95 59.29 1swf s SER 27 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1swf s SER 27 CO 0.00 -0.63 -0.06 -0.89 0.41 0.00 0.00 173.24 172.07 1swf s THR 28 N -1.78 0.45 0.03 1.44 2.01 -0.57 -1.06 115.64 116.17 1swf s THR 28 Ca 0.62 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1swf s THR 28 Cb -0.20 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1swf s THR 28 CO 0.25 -0.23 -0.07 0.72 -0.69 0.00 0.00 174.62 174.60 1swf s PHE 29 N -0.97 0.58 -0.17 4.92 -0.12 -0.22 -0.68 117.98 121.32 1swf s PHE 29 Ca -0.07 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.40 1swf s PHE 29 Cb -0.07 -0.36 0.01 0.00 -0.63 0.00 0.00 43.02 41.97 1swf s PHE 29 CO 0.00 -0.08 -0.17 0.42 -0.05 0.00 0.00 175.22 175.34 1swf s ILE 30 N -1.12 2.35 0.16 -4.49 1.01 -0.80 -1.09 121.20 117.21 1swf s ILE 30 Ca -0.08 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.80 1swf s ILE 30 Cb -0.08 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1swf s ILE 30 CO 0.00 0.52 -0.19 0.68 0.00 0.00 0.00 174.94 175.95 1swf s VAL 31 N 1.16 1.83 -0.10 2.92 -7.23 -0.82 -0.82 120.40 117.34 1swf s VAL 31 Ca 0.01 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1swf s VAL 31 Cb -0.14 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 1swf s VAL 31 CO -0.08 -0.27 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.39 1swf s THR 32 N -1.92 2.80 -0.10 5.32 2.01 0.30 -2.81 115.64 121.25 1swf s THR 32 Ca 0.15 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1swf s THR 32 Cb -0.06 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1swf s THR 32 CO 0.06 0.55 0.07 0.00 -0.69 0.00 0.00 174.62 174.61 1swf s ALA 33 N 0.07 3.56 0.52 7.40 0.00 -1.26 -1.35 121.76 130.70 1swf s ALA 33 Ca -0.07 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1swf s ALA 33 Cb -0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1swf s ALA 33 CO 0.05 0.61 0.84 0.20 0.00 0.00 0.00 175.76 177.46 1swf s GLY 34 N -0.99 1.54 0.53 0.00 0.00 0.15 -4.93 107.32 103.61 1swf s GLY 34 Ca 0.15 -0.47 0.31 0.00 0.00 0.00 0.00 44.72 44.71 1swf s GLY 34 CO 0.04 -0.27 1.97 0.00 0.00 0.00 0.00 173.10 174.83 1swf h ALA 35 N 0.07 1.02 -0.37 3.20 0.00 -1.99 -3.13 119.26 118.06 1swf h ALA 35 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1swf h ALA 35 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1swf h ALA 35 CO 0.62 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 1swf n ASP 36 N -3.19 3.64 0.00 0.00 9.92 -1.26 -4.88 116.55 120.78 1swf n ASP 36 Ca 0.00 -2.47 0.00 0.00 -0.53 0.00 0.00 54.79 51.79 1swf n ASP 36 Cb 0.32 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1swf n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1swf n GLY 37 N 0.23 1.82 3.78 0.44 0.00 -1.18 -4.82 105.19 105.46 1swf n GLY 37 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1swf n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swf s ALA 38 N -2.04 2.85 -0.06 4.61 0.00 -1.26 -0.62 121.76 125.24 1swf s ALA 38 Ca 0.00 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1swf s ALA 38 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1swf s ALA 38 CO 0.00 -0.53 -0.12 -0.51 0.00 0.00 0.00 175.76 174.59 1swf s LEU 39 N -3.42 1.67 0.00 0.00 1.02 -0.64 0.30 118.68 117.60 1swf s LEU 39 Ca 0.68 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 54.51 1swf s LEU 39 Cb -0.22 -0.80 -0.01 0.00 0.02 0.00 0.00 46.19 45.18 1swf s LEU 39 CO 0.26 0.04 0.04 0.42 0.02 0.00 0.00 176.35 177.13 1swf s THR 40 N 0.58 0.07 0.00 5.49 -4.23 -0.46 -1.96 115.64 115.13 1swf s THR 40 Ca -0.13 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1swf s THR 40 Cb -0.15 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1swf s THR 40 CO 0.03 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1swf n GLY 41 N 2.05 1.40 2.89 3.99 0.00 0.39 0.11 105.19 116.02 1swf n GLY 41 Ca -0.20 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1swf n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1swf s THR 42 N -2.38 0.56 -0.18 2.61 -1.32 -0.00 -0.74 115.64 114.18 1swf s THR 42 Ca 0.00 -0.13 -0.08 0.00 -1.21 0.00 0.00 61.69 60.26 1swf s THR 42 Cb 0.00 -0.58 -0.05 0.00 -1.51 0.00 0.00 72.50 70.36 1swf s THR 42 CO 0.00 0.23 0.10 -0.47 -2.21 0.00 0.00 174.62 172.27 1swf s TYR 43 N 0.94 3.36 -0.15 9.09 6.14 0.30 -1.91 117.35 135.12 1swf s TYR 43 Ca -0.11 0.25 0.00 0.00 0.64 0.00 0.00 57.07 57.86 1swf s TYR 43 Cb -0.14 -2.10 0.02 0.00 0.42 0.00 0.00 41.96 40.16 1swf s TYR 43 CO 0.00 0.29 -0.14 -2.00 0.64 0.00 0.00 175.55 174.34 1swf s GLU 44 N 0.18 2.28 0.00 4.97 2.12 0.14 0.17 118.70 128.57 1swf s GLU 44 Ca 0.07 -0.55 0.32 0.00 0.36 0.00 0.00 54.97 55.17 1swf s GLU 44 Cb -0.12 -2.09 1.88 0.00 0.26 0.00 0.00 34.13 34.06 1swf s GLU 44 CO -0.01 -0.23 2.21 0.43 -0.54 0.00 0.00 175.26 177.13