#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 3.95 0.12 4.33 0.52 -1.26 -2.87 118.95 123.74 1swf s ARG 53 Ca 0.00 0.27 0.05 0.00 -0.52 0.00 0.00 55.73 55.54 1swf s ARG 53 Cb 0.00 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 1swf s ARG 53 CO 0.00 0.57 -0.12 0.71 0.02 0.00 0.00 175.30 176.47 1swf s TYR 54 N -0.61 1.31 0.13 -0.53 1.51 0.42 -4.84 117.35 114.74 1swf s TYR 54 Ca 0.21 -0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1swf s TYR 54 Cb -0.15 -0.68 -0.07 0.00 -0.11 0.00 0.00 41.96 40.95 1swf s TYR 54 CO 0.10 0.11 1.15 0.08 -1.11 0.00 0.00 175.55 175.88 1swf s VAL 55 N -2.44 3.91 0.16 0.71 1.01 -1.26 -0.64 120.40 121.85 1swf s VAL 55 Ca 0.10 1.51 0.10 0.00 0.00 0.00 0.00 61.98 63.69 1swf s VAL 55 Cb -0.03 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1swf s VAL 55 CO 0.02 0.20 -0.19 -1.48 0.00 0.00 0.00 175.10 173.65 1swf s LEU 56 N 0.27 2.64 -0.09 3.92 0.05 -0.19 -4.30 118.68 120.98 1swf s LEU 56 Ca 0.54 -0.69 -0.14 0.00 0.05 0.00 0.00 54.13 53.88 1swf s LEU 56 Cb -0.30 -1.41 0.03 0.00 -2.05 0.00 0.00 46.19 42.46 1swf s LEU 56 CO 0.33 0.14 0.36 0.28 -0.55 0.00 0.00 176.35 176.91 1swf s THR 57 N -1.47 0.02 0.00 5.48 -1.32 -0.43 -2.17 115.64 115.75 1swf s THR 57 Ca 0.20 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1swf s THR 57 Cb -0.09 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 1swf s THR 57 CO 0.11 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1swf n GLY 58 N 2.23 1.47 3.08 6.08 0.00 -0.23 -0.67 105.19 117.16 1swf n GLY 58 Ca -0.16 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.93 0.51 0.07 1.61 1.81 -0.84 -0.80 118.95 119.38 1swf s ARG 59 Ca 0.00 -0.68 -0.07 0.00 -1.72 0.00 0.00 55.73 53.27 1swf s ARG 59 Cb 0.00 0.20 -0.01 0.00 -0.45 0.00 0.00 34.95 34.69 1swf s ARG 59 CO 0.00 -0.12 0.13 1.52 -0.68 0.00 0.00 175.30 176.15 1swf s TYR 60 N -2.19 0.24 -0.60 -0.53 1.13 -0.25 -1.65 117.35 113.50 1swf s TYR 60 Ca -0.09 -0.68 -0.28 0.00 -1.41 0.00 0.00 57.07 54.62 1swf s TYR 60 Cb -0.04 -0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 1swf s TYR 60 CO -0.03 -0.48 1.43 0.34 -2.51 0.00 0.00 175.55 174.30 1swf s ASP 61 N -2.77 6.06 -0.01 -0.18 -1.08 -0.82 -4.50 116.67 113.36 1swf s ASP 61 Ca 0.04 0.16 0.05 0.00 -0.52 0.00 0.00 52.55 52.28 1swf s ASP 61 Cb 0.05 -2.55 0.16 0.00 -1.46 0.00 0.00 42.92 39.12 1swf s ASP 61 CO -0.10 -1.79 1.05 -1.54 0.52 0.00 0.00 175.17 173.31 1swf n SER 62 N 9.83 1.20 -2.94 -0.34 3.41 -1.26 -4.01 113.62 119.51 1swf n SER 62 Ca 0.11 -2.05 -0.14 0.00 -0.26 0.00 0.00 58.87 56.54 1swf n SER 62 Cb 0.49 -0.21 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.04 0.44 -1.69 7.33 0.00 -1.26 -5.01 120.51 120.36 1swf n ALA 63 Ca 0.06 -2.33 -0.30 0.00 0.00 0.00 0.00 53.44 50.88 1swf n ALA 63 Cb 0.22 -1.07 0.17 0.00 0.00 0.00 0.00 19.45 18.78 1swf n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swf s PRO 64 N -0.77 0.57 0.48 0.00 0.04 -1.26 -5.01 135.00 129.05 1swf s PRO 64 Ca 0.31 -0.13 -0.23 0.00 0.04 0.00 0.00 61.00 60.98 1swf s PRO 64 Cb 0.29 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.94 1swf s PRO 64 CO -0.09 -2.50 1.18 0.00 0.04 0.00 0.00 177.00 175.63 1swf n ALA 65 N -3.89 0.93 -0.35 8.56 0.00 -1.26 -4.92 120.51 119.58 1swf n ALA 65 Ca 0.12 0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.82 1swf n ALA 65 Cb 0.60 -2.22 0.22 0.00 0.00 0.00 0.00 19.45 18.05 1swf n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1swf n THR 66 N -0.70 1.22 1.92 0.00 -2.24 -1.26 -4.51 114.28 108.71 1swf n THR 66 Ca 0.09 -1.11 0.09 0.00 -2.27 0.00 0.00 64.05 60.85 1swf n THR 66 Cb 0.42 0.38 0.49 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.70 0.16 0.00 3.42 5.75 -1.26 -4.88 116.55 120.44 1swf n ASP 67 Ca 0.17 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 1swf n ASP 67 Cb 0.56 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1swf n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swf n GLY 68 N 0.80 1.90 3.56 6.12 0.00 -1.26 -5.07 105.19 111.24 1swf n GLY 68 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1swf n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swf n SER 69 N 0.00 0.18 -4.03 1.61 7.64 -1.26 -5.00 113.62 112.75 1swf n SER 69 Ca 0.00 0.81 -0.30 0.00 1.01 0.00 0.00 58.87 60.39 1swf n SER 69 Cb 0.00 -1.31 0.20 0.00 -1.01 0.00 0.00 64.21 62.09 1swf n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1swf s GLY 70 N -1.17 1.81 -0.38 0.23 0.00 -1.26 -4.81 107.32 101.73 1swf s GLY 70 Ca 0.72 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.01 1swf s GLY 70 CO 0.50 -0.49 0.26 -1.59 0.00 0.00 0.00 173.10 171.78 1swf s THR 71 N -3.92 5.04 0.30 0.90 2.01 -0.07 -4.79 115.64 115.11 1swf s THR 71 Ca 0.76 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 1swf s THR 71 Cb -0.03 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.62 1swf s THR 71 CO 0.53 -0.22 1.46 0.00 -0.69 0.00 0.00 174.62 175.70 1swf s ALA 72 N 1.65 3.62 0.22 7.40 0.00 -1.26 0.07 121.76 133.46 1swf s ALA 72 Ca 0.04 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 1swf s ALA 72 Cb -0.19 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1swf s ALA 72 CO 0.09 -0.83 0.46 -0.48 0.00 0.00 0.00 175.76 175.00 1swf s LEU 73 N -1.00 0.35 -0.01 0.00 0.05 0.82 -1.94 118.68 116.94 1swf s LEU 73 Ca 0.57 -0.80 -0.17 0.00 0.05 0.00 0.00 54.13 53.78 1swf s LEU 73 Cb -0.44 1.80 0.03 0.00 -2.05 0.00 0.00 46.19 45.53 1swf s LEU 73 CO 0.50 -1.09 0.36 -0.83 -0.55 0.00 0.00 176.35 174.75 1swf s GLY 74 N -2.97 -0.21 0.13 -3.48 0.00 -0.66 -1.15 107.32 98.97 1swf s GLY 74 Ca 0.18 0.45 -0.14 0.00 0.00 0.00 0.00 44.72 45.20 1swf s GLY 74 CO 0.05 0.22 0.37 0.66 0.00 0.00 0.00 173.10 174.39 1swf s TRP 75 N -1.40 -0.09 -0.02 1.90 -2.14 -0.26 -1.99 118.94 114.95 1swf s TRP 75 Ca -0.13 -0.26 0.04 0.00 2.66 0.00 0.00 56.10 58.42 1swf s TRP 75 Cb -0.04 0.19 -0.01 0.00 -3.10 0.00 0.00 33.47 30.51 1swf s TRP 75 CO 0.05 -0.69 -0.13 0.99 -2.66 0.00 0.00 176.95 174.50 1swf s THR 76 N -3.83 1.08 -0.06 0.66 2.01 0.16 -0.19 115.64 115.46 1swf s THR 76 Ca 0.05 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1swf s THR 76 Cb 0.02 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1swf s THR 76 CO -0.10 0.31 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.35 1swf s VAL 77 N -0.21 0.94 -0.16 3.82 1.01 0.59 -1.31 120.40 125.09 1swf s VAL 77 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1swf s VAL 77 Cb -0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1swf s VAL 77 CO -0.00 0.32 0.16 0.00 0.00 0.00 0.00 175.10 175.58 1swf s ALA 78 N 0.87 3.75 -0.69 5.51 0.00 -1.26 0.14 121.76 130.08 1swf s ALA 78 Ca -0.11 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1swf s ALA 78 Cb -0.15 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 1swf s ALA 78 CO 0.01 0.33 2.87 0.91 0.00 0.00 0.00 175.76 179.89 1swf n TRP 79 N 2.89 1.60 -3.96 0.00 7.02 0.15 -4.69 117.44 120.45 1swf n TRP 79 Ca -0.17 -2.18 -0.27 0.00 -1.02 0.00 0.00 57.50 53.86 1swf n TRP 79 Cb 0.53 -1.65 -0.17 0.00 -2.42 0.00 0.00 31.31 27.61 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 -0.65 1.67 0.00 -0.99 2.20 -1.26 0.37 119.74 121.08 1swf s LYS 80 Ca 0.60 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1swf s LYS 80 Cb 0.30 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.95 1swf s LYS 80 CO -0.13 -0.24 0.00 0.27 -0.36 0.00 0.00 175.35 174.88 1swf n ASN 81 N 4.85 1.25 0.06 1.43 0.23 0.34 -4.80 115.26 118.63 1swf n ASN 81 Ca -0.14 -0.46 0.20 0.00 -0.53 0.00 0.00 54.58 53.65 1swf n ASN 81 Cb 0.50 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 38.94 1swf n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1swf h ASN 82 N 0.00 0.00 0.00 0.53 4.21 -2.01 -3.25 115.58 115.06 1swf h ASN 82 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1swf h ASN 82 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1swf h ASN 82 CO 0.00 0.00 -0.09 -1.22 -1.29 0.00 0.00 177.43 174.83 1swf n TYR 83 N -4.00 0.00 -4.02 1.19 4.01 -1.26 -5.05 117.16 108.03 1swf n TYR 83 Ca 0.08 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.74 1swf n TYR 83 Cb 0.58 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.51 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 -1.05 0.53 -0.06 -0.72 1.04 -1.23 -5.14 118.95 112.33 1swf s ARG 84 Ca 0.00 -0.95 -0.03 0.00 -1.04 0.00 0.00 55.73 53.71 1swf s ARG 84 Cb 0.00 0.19 0.04 0.00 -2.04 0.00 0.00 34.95 33.14 1swf s ARG 84 CO 0.00 -0.10 0.11 1.21 -0.04 0.00 0.00 175.30 176.48 1swf s ASN 85 N -2.35 0.84 -0.04 -2.89 3.84 -1.26 -0.50 114.94 112.58 1swf s ASN 85 Ca -0.02 0.21 0.16 0.00 0.21 0.00 0.00 52.86 53.42 1swf s ASN 85 Cb 0.01 0.07 0.50 0.00 -0.55 0.00 0.00 41.25 41.29 1swf s ASN 85 CO -0.06 -0.24 1.42 0.00 -2.79 0.00 0.00 177.10 175.43 1swf n ALA 86 N 5.20 2.51 -4.05 1.71 0.00 0.16 -4.95 120.51 121.09 1swf n ALA 86 Ca -0.06 -1.42 -0.32 0.00 0.00 0.00 0.00 53.44 51.64 1swf n ALA 86 Cb 0.50 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 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 0.80 -1.52 -3.71 0.00 -0.00 -1.26 -4.84 115.22 104.68 1swf n HIS 87 Ca 0.19 0.54 -0.12 0.00 -0.00 0.00 0.00 57.72 58.33 1swf n HIS 87 Cb 0.63 -3.25 -0.07 0.00 -0.00 0.00 0.00 29.99 27.30 1swf n HIS 87 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1swf s SER 88 N -4.11 -0.20 0.02 0.41 0.01 -1.26 -0.77 113.70 107.80 1swf s SER 88 Ca 0.15 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.34 1swf s SER 88 Cb -0.07 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 1swf s SER 88 CO 0.93 -0.62 -0.03 0.00 0.41 0.00 0.00 173.24 173.93 1swf s ALA 89 N -2.39 0.20 -0.08 1.44 0.00 -0.25 -0.67 121.76 120.01 1swf s ALA 89 Ca -0.06 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1swf s ALA 89 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1swf s ALA 89 CO -0.02 -0.06 -0.18 0.99 0.00 0.00 0.00 175.76 176.49 1swf s THR 90 N -0.86 2.71 -0.06 0.00 2.01 0.12 -1.22 115.64 118.33 1swf s THR 90 Ca -0.08 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1swf s THR 90 Cb -0.06 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1swf s THR 90 CO -0.00 0.56 -0.20 0.42 -0.69 0.00 0.00 174.62 174.71 1swf s THR 91 N -0.19 2.53 -0.06 -0.82 -4.23 -0.66 -0.30 115.64 111.91 1swf s THR 91 Ca -0.01 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1swf s THR 91 Cb -0.13 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 1swf s THR 91 CO 0.03 0.57 -0.15 0.26 -0.54 0.00 0.00 174.62 174.79 1swf s TRP 92 N -0.28 2.69 -0.07 3.99 0.51 0.73 -1.92 118.94 124.60 1swf s TRP 92 Ca 0.01 -0.24 0.02 0.00 -2.12 0.00 0.00 56.10 53.76 1swf s TRP 92 Cb -0.13 -1.65 0.02 0.00 -0.81 0.00 0.00 33.47 30.90 1swf s TRP 92 CO 0.03 0.12 -0.11 0.45 -0.51 0.00 0.00 176.95 176.93 1swf s SER 93 N -0.58 1.78 0.00 2.95 0.15 0.54 -1.10 113.70 117.44 1swf s SER 93 Ca 0.08 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1swf s SER 93 Cb -0.11 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1swf s SER 93 CO 0.01 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1swf n GLY 94 N 4.02 -0.74 3.24 9.45 0.00 -0.30 -0.79 105.19 120.06 1swf n GLY 94 Ca -0.21 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.01 0.60 -0.02 1.61 -2.07 -1.06 -0.13 119.66 118.60 1swf s GLN 95 Ca 0.00 -0.04 -0.24 0.00 -1.82 0.00 0.00 55.36 53.26 1swf s GLN 95 Cb 0.00 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1swf s GLN 95 CO 0.00 -0.15 0.75 -0.47 -1.32 0.00 0.00 175.29 174.09 1swf s TYR 96 N -0.98 3.65 -0.16 9.60 5.04 0.11 -2.56 117.35 132.06 1swf s TYR 96 Ca -0.10 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 1swf s TYR 96 Cb -0.05 -2.83 0.02 0.00 0.35 0.00 0.00 41.96 39.46 1swf s TYR 96 CO 0.03 0.16 -0.14 0.08 -1.34 0.00 0.00 175.55 174.34 1swf s VAL 97 N 0.45 1.61 0.00 3.14 1.01 0.07 -0.89 120.40 125.79 1swf s VAL 97 Ca 0.39 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1swf s VAL 97 Cb -0.19 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1swf s VAL 97 CO 0.21 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1swf n GLY 98 N 4.76 -0.43 0.00 4.51 0.00 -1.26 -1.75 105.19 111.01 1swf n GLY 98 Ca -0.17 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1swf n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swf n GLY 99 N 5.00 0.17 0.29 -0.02 0.00 -1.26 -4.61 105.19 104.76 1swf n GLY 99 Ca 0.00 -2.25 0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 1.99 -2.82 4.61 0.00 -1.96 -3.25 119.26 117.83 1swf h ALA 100 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 1swf h ALA 100 Cb 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.36 1swf h ALA 100 CO 0.00 -0.02 -0.78 -1.21 0.00 0.00 0.00 179.25 177.24 1swf s GLU 101 N -5.18 0.97 0.28 0.00 0.41 -1.26 -4.57 118.70 109.36 1swf s GLU 101 Ca -0.06 -1.71 -0.29 0.00 -0.41 0.00 0.00 54.97 52.50 1swf s GLU 101 Cb 0.18 -1.90 -0.09 0.00 -1.78 0.00 0.00 34.13 30.53 1swf s GLU 101 CO 0.70 -1.18 1.07 0.00 -0.49 0.00 0.00 175.26 175.36 1swf s ALA 102 N 0.67 3.37 0.02 5.21 0.00 -1.23 -4.84 121.76 124.95 1swf s ALA 102 Ca 0.18 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 52.98 1swf s ALA 102 Cb -0.24 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1swf s ALA 102 CO 0.00 -0.11 -0.02 1.03 0.00 0.00 0.00 175.76 176.66 1swf s ARG 103 N -1.51 0.25 -0.26 0.00 0.52 -0.72 -2.61 118.95 114.63 1swf s ARG 103 Ca 0.45 -0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 55.17 1swf s ARG 103 Cb -0.30 0.09 0.03 0.00 0.52 0.00 0.00 34.95 35.29 1swf s ARG 103 CO 0.39 -0.04 -0.06 0.42 0.02 0.00 0.00 175.30 176.03 1swf s ILE 104 N -1.15 2.81 -0.23 1.52 1.01 0.11 -0.75 121.20 124.52 1swf s ILE 104 Ca -0.13 -1.13 -0.17 0.00 0.00 0.00 0.00 60.65 59.22 1swf s ILE 104 Cb -0.08 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1swf s ILE 104 CO -0.01 0.14 0.45 0.20 0.00 0.00 0.00 174.94 175.72 1swf s ASN 105 N 1.29 6.43 0.16 3.58 0.01 -1.06 -0.69 114.94 124.66 1swf s ASN 105 Ca -0.01 0.51 0.04 0.00 -0.71 0.00 0.00 52.86 52.69 1swf s ASN 105 Cb -0.17 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 1swf s ASN 105 CO -0.04 -0.18 -0.08 0.42 -1.51 0.00 0.00 177.10 175.71 1swf s THR 106 N 1.82 1.11 0.04 1.60 -4.23 0.48 -2.55 115.64 113.91 1swf s THR 106 Ca 0.20 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 1swf s THR 106 Cb -0.15 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 1swf s THR 106 CO 0.09 -0.69 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.13 1swf s GLN 107 N -3.77 1.85 0.10 3.99 -0.21 0.03 -1.05 119.66 120.59 1swf s GLN 107 Ca 0.18 -1.09 0.04 0.00 0.02 0.00 0.00 55.36 54.52 1swf s GLN 107 Cb 0.03 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 32.01 1swf s GLN 107 CO 0.01 0.52 -0.10 1.67 -2.12 0.00 0.00 175.29 175.27 1swf s TRP 108 N -0.80 1.11 -0.09 0.91 1.48 -0.10 -0.34 118.94 121.12 1swf s TRP 108 Ca 0.12 -0.66 0.03 0.00 -1.06 0.00 0.00 56.10 54.53 1swf s TRP 108 Cb -0.10 -0.60 0.01 0.00 -1.16 0.00 0.00 33.47 31.62 1swf s TRP 108 CO 0.02 0.02 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.25 1swf s LEU 109 N -2.51 1.83 -0.20 -4.66 1.43 -0.81 -0.17 118.68 113.60 1swf s LEU 109 Ca 0.07 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1swf s LEU 109 Cb -0.03 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 45.10 1swf s LEU 109 CO 0.00 0.07 -0.16 -0.22 0.23 0.00 0.00 176.35 176.28 1swf s LEU 110 N 0.65 2.40 -0.10 1.79 2.96 -0.26 -1.65 118.68 124.47 1swf s LEU 110 Ca -0.14 -0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 53.13 1swf s LEU 110 Cb -0.16 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1swf s LEU 110 CO 0.04 -0.02 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.07 1swf s THR 111 N 1.32 3.44 0.07 3.68 2.01 -0.36 -0.61 115.64 125.20 1swf s THR 111 Ca 0.04 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1swf s THR 111 Cb -0.14 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1swf s THR 111 CO -0.10 0.55 0.08 -0.44 -0.69 0.00 0.00 174.62 174.02 1swf s SER 112 N -0.18 5.58 0.29 3.53 0.01 -0.53 -1.09 113.70 121.31 1swf s SER 112 Ca 0.01 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.00 1swf s SER 112 Cb -0.13 -1.52 -0.10 0.00 0.21 0.00 0.00 66.02 64.48 1swf s SER 112 CO 0.03 0.18 1.34 -0.83 0.41 0.00 0.00 173.24 174.37 1swf s GLY 113 N -2.32 2.76 0.11 3.44 0.00 0.05 -4.88 107.32 106.49 1swf s GLY 113 Ca 0.29 1.25 -0.08 0.00 0.00 0.00 0.00 44.72 46.18 1swf s GLY 113 CO 0.21 2.02 0.19 -0.51 0.00 0.00 0.00 173.10 175.01 1swf s THR 114 N -0.68 0.12 0.97 0.90 -4.23 -1.26 -5.04 115.64 106.42 1swf s THR 114 Ca 0.52 -1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 59.58 1swf s THR 114 Cb -0.40 -1.54 0.17 0.00 1.34 0.00 0.00 72.50 72.07 1swf s THR 114 CO 0.48 -0.56 1.09 0.42 -0.54 0.00 0.00 174.62 175.52 1swf s THR 115 N -3.91 2.24 0.40 3.99 -4.23 -1.26 -4.86 115.64 108.01 1swf s THR 115 Ca 0.10 0.08 0.22 0.00 -1.18 0.00 0.00 61.69 60.91 1swf s THR 115 Cb 0.05 -2.57 0.23 0.00 1.34 0.00 0.00 72.50 71.55 1swf s THR 115 CO -0.07 -0.10 2.00 -0.08 -0.54 0.00 0.00 174.62 175.83 1swf h GLU 116 N -1.79 0.00 0.00 3.99 4.81 -2.02 -2.64 114.58 116.93 1swf h GLU 116 Ca -0.53 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.59 1swf h GLU 116 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1swf h GLU 116 CO 0.57 0.18 -0.51 0.00 -0.73 0.00 0.00 179.01 178.51 1swf h ALA 117 N 1.82 0.67 -0.63 2.92 0.00 -2.06 -3.22 119.26 118.76 1swf h ALA 117 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1swf h ALA 117 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1swf h ALA 117 CO 0.02 0.64 0.00 0.09 0.00 0.00 0.00 179.25 180.01 1swf n ASN 118 N -3.24 3.86 0.21 0.00 3.02 -1.05 -4.57 115.26 113.50 1swf n ASN 118 Ca 0.02 -2.08 0.05 0.00 -0.03 0.00 0.00 54.58 52.53 1swf n ASN 118 Cb 0.73 -0.45 0.47 0.00 -0.61 0.00 0.00 39.78 39.92 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 3.73 1.59 0.00 5.41 0.00 -1.49 -2.13 119.26 126.37 1swf h ALA 119 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1swf h ALA 119 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1swf h ALA 119 CO 0.04 0.29 -0.18 0.11 0.00 0.00 0.00 179.25 179.51 1swf h TRP 120 N 0.00 0.00 -0.80 0.00 5.08 -1.84 -2.09 115.95 116.30 1swf h TRP 120 Ca -0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1swf h TRP 120 Cb 0.42 0.00 -0.28 0.00 -3.00 0.00 0.00 29.16 26.30 1swf h TRP 120 CO 0.00 0.18 0.26 0.36 -1.28 0.00 0.00 178.44 177.96 1swf n LYS 121 N -3.81 2.61 0.06 0.12 -0.00 -0.80 -4.61 118.16 111.72 1swf n LYS 121 Ca -0.02 -3.40 0.12 0.00 -0.00 0.00 0.00 58.31 55.00 1swf n LYS 121 Cb 0.28 -2.16 0.05 0.00 -0.00 0.00 0.00 35.03 33.20 1swf n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1swf n SER 122 N -0.97 0.67 -3.91 -5.58 3.41 -0.79 -4.92 113.62 101.54 1swf n SER 122 Ca 0.52 0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.91 1swf n SER 122 Cb 1.00 0.57 -0.17 0.00 -0.26 0.00 0.00 64.21 65.35 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 -3.25 1.07 0.26 6.66 2.01 -1.26 -1.46 115.64 119.67 1swf s THR 123 Ca 0.03 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 1swf s THR 123 Cb 0.13 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1swf s THR 123 CO 0.78 0.34 0.49 -0.76 -0.69 0.00 0.00 174.62 174.79 1swf s LEU 124 N 1.69 4.12 0.05 4.42 1.43 0.22 -4.91 118.68 125.69 1swf s LEU 124 Ca 0.04 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1swf s LEU 124 Cb -0.13 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1swf s LEU 124 CO -0.08 -0.15 -0.16 0.54 0.23 0.00 0.00 176.35 176.73 1swf s VAL 125 N -2.02 1.27 0.00 -1.59 0.11 -1.26 -1.10 120.40 115.81 1swf s VAL 125 Ca 0.42 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 1swf s VAL 125 Cb -0.11 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1swf s VAL 125 CO 0.30 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 1swf n GLY 126 N 1.73 2.11 3.04 6.54 0.00 0.77 -4.99 105.19 114.38 1swf n GLY 126 Ca -0.18 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -5.77 0.46 0.00 1.61 -3.43 -1.26 -0.93 115.29 105.98 1swf s HIS 127 Ca 0.00 -0.67 -0.20 0.00 -0.80 0.00 0.00 55.06 53.39 1swf s HIS 127 Cb 0.00 -0.31 0.04 0.00 -1.43 0.00 0.00 32.58 30.88 1swf s HIS 127 CO 0.00 -0.20 0.44 0.34 -2.00 0.00 0.00 174.74 173.31 1swf s ASP 128 N -1.94 -0.34 -0.09 7.38 -1.08 -0.22 -4.94 116.67 115.45 1swf s ASP 128 Ca -0.07 0.20 0.03 0.00 -0.52 0.00 0.00 52.55 52.18 1swf s ASP 128 Cb -0.05 0.41 0.01 0.00 -1.46 0.00 0.00 42.92 41.83 1swf s ASP 128 CO -0.03 -0.57 -0.17 -0.89 0.52 0.00 0.00 175.17 174.04 1swf s THR 129 N -1.74 1.52 -0.05 1.71 2.01 -1.26 0.18 115.64 118.02 1swf s THR 129 Ca -0.10 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1swf s THR 129 Cb -0.02 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1swf s THR 129 CO 0.03 0.44 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.92 1swf s PHE 130 N 0.70 2.76 -0.01 4.92 0.40 0.13 -4.31 117.98 122.58 1swf s PHE 130 Ca -0.13 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.15 1swf s PHE 130 Cb -0.16 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 1swf s PHE 130 CO 0.03 0.23 -0.19 0.99 0.70 0.00 0.00 175.22 176.98 1swf s THR 131 N -0.77 2.70 0.13 0.64 2.01 -0.16 0.04 115.64 120.23 1swf s THR 131 Ca 0.12 -1.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 1swf s THR 131 Cb -0.11 -2.06 -0.07 0.00 0.01 0.00 0.00 72.50 70.27 1swf s THR 131 CO 0.01 0.49 0.74 -0.75 -0.69 0.00 0.00 174.62 174.43 1swf s LYS 132 N -0.97 4.50 0.42 4.92 2.20 -1.07 -0.46 119.74 129.28 1swf s LYS 132 Ca 0.12 1.08 -0.23 0.00 -0.36 0.00 0.00 55.97 56.58 1swf s LYS 132 Cb -0.10 -3.28 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 1swf s LYS 132 CO 0.02 0.53 1.03 0.14 -0.36 0.00 0.00 175.35 176.71 1swf s VAL 133 N -0.96 3.84 0.22 4.02 -7.23 0.29 -4.85 120.40 115.73 1swf s VAL 133 Ca 0.35 1.33 0.08 0.00 -1.81 0.00 0.00 61.98 61.93 1swf s VAL 133 Cb -0.22 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 1swf s VAL 133 CO 0.25 -0.07 0.04 -0.54 -0.31 0.00 0.00 175.10 174.47 1swf s LYS 134 N -2.69 2.47 0.53 4.82 1.02 -1.26 -4.79 119.74 119.83 1swf s LYS 134 Ca 0.60 -1.21 -0.22 0.00 0.02 0.00 0.00 55.97 55.16 1swf s LYS 134 Cb -0.19 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 1swf s LYS 134 CO 0.24 0.41 1.29 -2.14 -0.92 0.00 0.00 175.35 174.23 1swf s PRO 135 N -3.40 3.28 0.52 -1.68 0.02 -1.26 -4.98 135.00 127.50 1swf s PRO 135 Ca 0.30 2.06 -0.22 0.00 0.02 0.00 0.00 61.00 63.16 1swf s PRO 135 Cb -0.08 -2.25 -0.06 0.00 0.02 0.00 0.00 34.50 32.13 1swf s PRO 135 CO 0.20 -1.02 1.30 -1.54 -0.33 0.00 0.00 177.00 175.62 1swf s SER 136 N -1.15 5.54 0.34 2.53 1.04 -1.26 -4.48 113.70 116.26 1swf s SER 136 Ca 0.70 2.63 0.06 0.00 0.48 0.00 0.00 55.95 59.83 1swf s SER 136 Cb -0.36 -2.63 0.63 0.00 0.10 0.00 0.00 66.02 63.77 1swf s SER 136 CO 0.42 -1.38 1.86 0.00 0.98 0.00 0.00 173.24 175.12 1swf h ALA 137 N 1.64 1.37 0.00 5.32 0.00 -1.92 -0.36 119.26 125.31 1swf h ALA 137 Ca -0.50 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1swf h ALA 137 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1swf h ALA 137 CO 0.58 0.43 0.00 0.00 0.00 0.00 0.00 179.25 180.26 1swf h ALA 138 N 1.52 1.00 -0.01 0.00 0.00 -1.99 0.11 119.26 119.89 1swf h ALA 138 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1swf h ALA 138 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1swf h ALA 138 CO 0.02 0.00 -0.57 0.43 0.00 0.00 0.00 179.25 179.14 1swf n SER 139 N -2.93 1.61 0.00 0.00 7.64 -0.33 -4.92 113.62 114.69 1swf n SER 139 Ca -0.02 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1swf n SER 139 Cb 0.11 0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 1.43 1.32 7.00 0.23 0.00 0.39 -5.03 105.19 110.53 1swf n GLY 140 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.79 1.39 0.00 -0.02 0.00 -0.29 -4.95 105.19 100.52 1swf n GLY 141 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 1.32 3.82 -0.02 0.00 -1.26 -4.70 105.19 104.35 1swf n GLY 142 Ca 0.00 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.47 6.31 0.54 1.61 1.04 -1.26 -4.26 113.70 117.21 1swf s SER 143 Ca 0.00 1.70 -0.21 0.00 0.48 0.00 0.00 55.95 57.92 1swf s SER 143 Cb 0.00 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 1swf s SER 143 CO 0.00 -0.80 1.24 0.00 0.98 0.00 0.00 173.24 174.66 1swf s ALA 13 N -2.49 2.75 0.14 5.32 0.00 -1.26 -4.81 121.76 121.41 1swf s ALA 13 Ca 0.61 1.09 -0.33 0.00 0.00 0.00 0.00 51.96 53.33 1swf s ALA 13 Cb -0.13 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.36 1swf s ALA 13 CO 0.31 -1.08 0.97 -1.91 0.00 0.00 0.00 175.76 174.05 1swf n GLU 14 N -1.10 0.58 -1.79 0.00 2.13 -1.26 -4.89 120.64 114.30 1swf n GLU 14 Ca 0.11 0.21 -0.39 0.00 0.66 0.00 0.00 57.16 57.75 1swf n GLU 14 Cb 0.48 -1.57 0.04 0.00 0.27 0.00 0.00 31.44 30.65 1swf n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1swf s ALA 15 N -0.37 2.88 0.00 4.31 0.00 -1.26 -4.90 121.76 122.42 1swf s ALA 15 Ca 0.75 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.06 1swf s ALA 15 Cb -0.97 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 18.58 1swf s ALA 15 CO 0.55 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1swf n GLY 16 N 0.70 3.56 0.09 0.00 0.00 -1.26 -4.94 105.19 103.34 1swf n GLY 16 Ca 0.10 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 0.46 1.02 -2.34 -0.61 2.04 -1.98 -3.46 117.51 112.64 1swf h ILE 17 Ca 0.00 -2.80 -0.59 0.00 1.00 0.00 0.00 64.86 62.47 1swf h ILE 17 Cb 0.00 2.56 0.06 0.00 -0.74 0.00 0.00 36.82 38.70 1swf h ILE 17 CO 0.00 0.67 0.74 0.41 0.00 0.00 0.00 178.15 179.97 1swf n THR 18 N -3.21 0.22 -2.60 -0.27 -1.04 -1.26 -4.80 114.28 101.31 1swf n THR 18 Ca -0.16 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1swf n THR 18 Cb 1.03 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 3.08 -0.18 3.41 3.41 0.00 -0.88 -5.00 105.19 109.03 1swf n GLY 19 Ca 0.16 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.88 3.37 0.01 2.61 2.01 -1.26 -1.25 115.64 118.25 1swf s THR 20 Ca 0.00 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1swf s THR 20 Cb 0.00 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1swf s THR 20 CO 0.00 0.50 -0.15 0.26 -0.69 0.00 0.00 174.62 174.54 1swf s TRP 21 N 0.47 1.35 0.09 4.92 0.52 0.85 -0.55 118.94 126.58 1swf s TRP 21 Ca -0.07 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 55.79 1swf s TRP 21 Cb -0.15 -0.84 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 1swf s TRP 21 CO 0.04 0.00 -0.09 1.52 0.02 0.00 0.00 176.95 178.44 1swf s TYR 22 N -0.52 0.96 0.49 -1.98 1.13 0.40 -1.22 117.35 116.60 1swf s TYR 22 Ca 0.05 -0.69 0.08 0.00 -1.41 0.00 0.00 57.07 55.10 1swf s TYR 22 Cb -0.07 -0.54 0.02 0.00 -1.10 0.00 0.00 41.96 40.28 1swf s TYR 22 CO 0.00 -0.05 0.49 0.54 -2.51 0.00 0.00 175.55 174.03 1swf s ASN 23 N -2.43 5.00 0.30 -0.18 4.22 -0.74 -0.99 114.94 120.12 1swf s ASN 23 Ca 0.04 -0.88 0.06 0.00 -2.14 0.00 0.00 52.86 49.94 1swf s ASN 23 Cb -0.02 -0.12 0.82 0.00 1.28 0.00 0.00 41.25 43.21 1swf s ASN 23 CO -0.01 -0.94 1.66 0.06 -2.04 0.00 0.00 177.10 175.83 1swf h GLN 24 N 0.73 0.27 -0.01 3.55 3.07 -1.89 -2.91 115.11 117.91 1swf h GLN 24 Ca -0.37 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.35 1swf h GLN 24 Cb 1.28 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1swf h GLN 24 CO 0.53 0.18 -0.24 1.28 0.09 0.00 0.00 178.83 180.66 1swf n LEU 25 N -5.15 1.58 0.00 0.06 4.77 -1.26 -4.95 117.00 112.05 1swf n LEU 25 Ca 0.24 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1swf n LEU 25 Cb 0.76 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1swf n LEU 25 CO 0.08 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1swf n GLY 26 N 1.33 0.85 3.82 -0.72 0.00 -1.10 -5.09 105.19 104.29 1swf n GLY 26 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.58 7.03 0.02 1.61 0.01 -1.26 -4.84 113.70 114.68 1swf s SER 27 Ca 0.00 1.56 0.02 0.00 1.31 0.00 0.00 55.95 58.84 1swf s SER 27 Cb 0.00 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1swf s SER 27 CO 0.00 -0.15 -0.08 -0.89 0.41 0.00 0.00 173.24 172.54 1swf s THR 28 N -1.82 0.57 0.01 1.44 2.01 -0.00 -1.80 115.64 116.04 1swf s THR 28 Ca 0.52 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 1swf s THR 28 Cb -0.14 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 1swf s THR 28 CO 0.19 -0.09 0.00 0.72 -0.69 0.00 0.00 174.62 174.75 1swf s PHE 29 N -0.72 0.14 -0.14 4.92 -0.12 -0.36 0.83 117.98 122.53 1swf s PHE 29 Ca -0.03 -0.29 -0.02 0.00 -0.05 0.00 0.00 56.93 56.55 1swf s PHE 29 Cb -0.06 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1swf s PHE 29 CO 0.00 -0.13 -0.09 0.42 -0.05 0.00 0.00 175.22 175.37 1swf s ILE 30 N -0.93 3.45 0.03 -4.49 1.01 -0.73 -0.11 121.20 119.44 1swf s ILE 30 Ca -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1swf s ILE 30 Cb -0.06 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1swf s ILE 30 CO -0.00 0.52 -0.08 0.54 0.00 0.00 0.00 174.94 175.91 1swf s VAL 31 N 0.27 0.58 -0.17 2.92 0.11 -0.38 -1.32 120.40 122.41 1swf s VAL 31 Ca -0.06 -0.80 -0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1swf s VAL 31 Cb -0.15 -0.58 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1swf s VAL 31 CO 0.04 -0.17 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.61 1swf s THR 32 N -0.92 2.75 0.06 5.04 2.01 0.61 -2.06 115.64 123.13 1swf s THR 32 Ca -0.05 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 1swf s THR 32 Cb -0.07 -2.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.20 1swf s THR 32 CO 0.00 0.50 0.44 0.00 -0.69 0.00 0.00 174.62 174.87 1swf s ALA 33 N 0.93 3.68 0.24 7.40 0.00 -1.26 -1.79 121.76 130.95 1swf s ALA 33 Ca -0.03 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1swf s ALA 33 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1swf s ALA 33 CO -0.02 0.51 0.38 0.20 0.00 0.00 0.00 175.76 176.83 1swf s GLY 34 N -1.48 1.38 0.32 0.00 0.00 0.24 -4.95 107.32 102.83 1swf s GLY 34 Ca 0.30 -1.10 0.25 0.00 0.00 0.00 0.00 44.72 44.18 1swf s GLY 34 CO 0.17 -1.10 1.76 0.00 0.00 0.00 0.00 173.10 173.93 1swf h ALA 35 N 1.37 1.00 0.00 3.20 0.00 -1.99 -2.83 119.26 120.00 1swf h ALA 35 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1swf h ALA 35 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1swf h ALA 35 CO 0.63 0.00 -1.47 -0.40 0.00 0.00 0.00 179.25 178.01 1swf n ASP 36 N -2.39 0.45 0.00 0.00 5.75 -1.26 -4.91 116.55 114.19 1swf n ASP 36 Ca 0.01 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 1swf n ASP 36 Cb 0.22 1.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.49 1swf n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swf n GLY 37 N 1.22 0.54 3.80 6.12 0.00 -1.07 -4.73 105.19 111.07 1swf n GLY 37 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.41 2.88 -0.07 4.61 0.00 -1.26 -1.09 121.76 125.42 1swf s ALA 38 Ca 0.00 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 1swf s ALA 38 Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1swf s ALA 38 CO 0.00 -0.30 -0.02 -0.51 0.00 0.00 0.00 175.76 174.93 1swf s LEU 39 N -3.46 0.84 -0.05 0.00 1.02 0.02 0.80 118.68 117.85 1swf s LEU 39 Ca 0.67 -0.13 -0.07 0.00 0.02 0.00 0.00 54.13 54.63 1swf s LEU 39 Cb -0.16 -0.50 0.01 0.00 0.02 0.00 0.00 46.19 45.56 1swf s LEU 39 CO 0.20 -0.15 0.17 0.28 0.02 0.00 0.00 176.35 176.87 1swf s THR 40 N 1.71 0.02 0.00 5.49 -1.32 -0.74 -1.06 115.64 119.73 1swf s THR 40 Ca 0.02 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1swf s THR 40 Cb -0.13 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 1swf s THR 40 CO -0.05 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 1swf n GLY 41 N 2.58 1.66 2.97 6.08 0.00 -0.92 -0.28 105.19 117.27 1swf n GLY 41 Ca -0.15 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 1swf n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swf s THR 42 N -2.49 0.55 -0.14 2.61 -4.23 -0.43 -1.02 115.64 110.48 1swf s THR 42 Ca 0.00 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1swf s THR 42 Cb 0.00 -0.48 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 1swf s THR 42 CO 0.00 0.17 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.69 1swf s TYR 43 N 0.02 2.91 -0.16 3.99 6.14 0.19 -1.77 117.35 128.67 1swf s TYR 43 Ca 0.00 -0.50 -0.01 0.00 0.64 0.00 0.00 57.07 57.19 1swf s TYR 43 Cb -0.05 -1.91 -0.01 0.00 0.42 0.00 0.00 41.96 40.41 1swf s TYR 43 CO -0.00 -0.15 -0.10 -2.00 0.64 0.00 0.00 175.55 173.94 1swf s GLU 44 N 0.40 3.40 0.00 4.97 2.12 0.24 -0.44 118.70 129.40 1swf s GLU 44 Ca -0.07 -0.66 0.24 0.00 0.36 0.00 0.00 54.97 54.84 1swf s GLU 44 Cb -0.15 -2.76 1.44 0.00 0.26 0.00 0.00 34.13 32.92 1swf s GLU 44 CO 0.04 0.09 1.81 0.43 -0.54 0.00 0.00 175.26 177.09