#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 3.44 0.18 -1.46 0.52 -1.26 -2.84 118.95 117.53 1swf s ARG 53 Ca 0.00 -0.25 0.08 0.00 -0.52 0.00 0.00 55.73 55.04 1swf s ARG 53 Cb 0.00 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1swf s ARG 53 CO 0.00 0.64 -0.16 0.71 0.02 0.00 0.00 175.30 176.51 1swf s TYR 54 N -0.67 1.75 0.11 -0.53 1.51 0.50 -4.89 117.35 115.12 1swf s TYR 54 Ca 0.12 -0.51 -0.29 0.00 -1.01 0.00 0.00 57.07 55.38 1swf s TYR 54 Cb -0.12 -0.85 -0.06 0.00 -0.11 0.00 0.00 41.96 40.82 1swf s TYR 54 CO 0.02 0.33 0.90 0.08 -1.11 0.00 0.00 175.55 175.78 1swf s VAL 55 N -2.44 4.51 0.19 0.71 1.01 -1.26 0.53 120.40 123.65 1swf s VAL 55 Ca 0.18 1.95 0.10 0.00 0.00 0.00 0.00 61.98 64.21 1swf s VAL 55 Cb -0.04 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1swf s VAL 55 CO 0.07 0.36 -0.15 -1.48 0.00 0.00 0.00 175.10 173.89 1swf s LEU 56 N -0.19 2.76 -0.02 3.92 0.05 0.37 -4.37 118.68 121.20 1swf s LEU 56 Ca 0.44 -0.71 -0.25 0.00 0.05 0.00 0.00 54.13 53.65 1swf s LEU 56 Cb -0.23 -1.45 0.06 0.00 -2.05 0.00 0.00 46.19 42.51 1swf s LEU 56 CO 0.28 0.10 0.56 0.28 -0.55 0.00 0.00 176.35 177.03 1swf s THR 57 N -1.75 0.02 0.00 5.48 -1.32 -1.09 -1.10 115.64 115.88 1swf s THR 57 Ca 0.24 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1swf s THR 57 Cb -0.08 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1swf s THR 57 CO 0.13 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1swf n GLY 58 N 0.90 2.33 2.97 6.08 0.00 0.69 -2.21 105.19 115.96 1swf n GLY 58 Ca -0.20 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 0.86 0.28 0.08 1.61 1.81 -0.22 -1.55 118.95 121.82 1swf s ARG 59 Ca 0.00 -0.52 0.03 0.00 -1.72 0.00 0.00 55.73 53.51 1swf s ARG 59 Cb 0.00 0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1swf s ARG 59 CO 0.00 -0.05 -0.09 1.52 -0.68 0.00 0.00 175.30 176.01 1swf s TYR 60 N -1.27 0.91 -0.39 -0.53 1.13 -0.65 -1.41 117.35 115.14 1swf s TYR 60 Ca -0.14 -0.67 -0.28 0.00 -1.41 0.00 0.00 57.07 54.56 1swf s TYR 60 Cb -0.09 -0.51 -0.00 0.00 -1.10 0.00 0.00 41.96 40.26 1swf s TYR 60 CO -0.01 -0.06 1.60 0.34 -2.51 0.00 0.00 175.55 174.91 1swf s ASP 61 N -2.33 6.10 0.00 -0.18 2.15 -0.20 -4.51 116.67 117.69 1swf s ASP 61 Ca 0.02 1.00 0.19 0.00 0.43 0.00 0.00 52.55 54.20 1swf s ASP 61 Cb -0.03 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.78 1swf s ASP 61 CO -0.01 -1.60 1.52 -1.54 -0.17 0.00 0.00 175.17 173.38 1swf n SER 62 N 9.62 1.54 -3.16 -0.34 3.41 -1.26 -3.95 113.62 119.48 1swf n SER 62 Ca 0.19 -1.72 -0.20 0.00 -0.26 0.00 0.00 58.87 56.88 1swf n SER 62 Cb 0.48 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.25 2.00 -1.15 7.33 0.00 -1.26 -4.94 120.51 122.74 1swf n ALA 63 Ca 0.15 -3.26 -0.30 0.00 0.00 0.00 0.00 53.44 50.04 1swf n ALA 63 Cb 0.30 -0.89 0.15 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.56 1.11 0.94 0.00 0.04 -1.25 -4.99 135.00 129.29 1swf s PRO 64 Ca 0.36 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 1swf s PRO 64 Cb 0.25 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 33.14 1swf s PRO 64 CO -0.10 -2.35 1.02 0.00 0.04 0.00 0.00 177.00 175.61 1swf n ALA 65 N -3.96 -1.20 0.58 8.56 0.00 -1.26 -4.95 120.51 118.28 1swf n ALA 65 Ca 0.07 -0.60 0.08 0.00 0.00 0.00 0.00 53.44 52.99 1swf n ALA 65 Cb 0.55 -2.12 0.08 0.00 0.00 0.00 0.00 19.45 17.96 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 -4.19 0.09 -0.31 0.00 -2.24 -1.26 -4.60 114.28 101.77 1swf n THR 66 Ca 0.11 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 1swf n THR 66 Cb 0.52 1.25 0.14 0.00 -2.10 0.00 0.00 70.33 70.15 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 0.90 3.54 0.00 3.42 5.75 -1.26 -4.80 116.55 124.10 1swf n ASP 67 Ca 0.10 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 51.98 1swf n ASP 67 Cb 0.41 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 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 -0.32 0.56 3.79 6.12 0.00 -1.26 -5.00 105.19 109.07 1swf n GLY 68 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.17 6.03 0.93 1.61 0.01 -1.26 -5.06 113.70 113.78 1swf s SER 69 Ca 0.00 1.97 -0.15 0.00 1.31 0.00 0.00 55.95 59.08 1swf s SER 69 Cb 0.00 -2.56 0.17 0.00 0.21 0.00 0.00 66.02 63.84 1swf s SER 69 CO 0.00 -1.00 1.29 -0.83 0.41 0.00 0.00 173.24 173.11 1swf s GLY 70 N -2.10 1.74 -0.24 3.44 0.00 -1.26 -4.83 107.32 104.06 1swf s GLY 70 Ca 0.68 -1.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.25 1swf s GLY 70 CO 0.26 -0.37 0.07 -1.59 0.00 0.00 0.00 173.10 171.47 1swf s THR 71 N -3.81 4.31 0.32 0.90 2.01 -0.32 -4.77 115.64 114.28 1swf s THR 71 Ca 0.71 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.26 1swf s THR 71 Cb -0.05 -3.01 -0.10 0.00 0.01 0.00 0.00 72.50 69.35 1swf s THR 71 CO 0.52 0.35 1.16 0.00 -0.69 0.00 0.00 174.62 175.96 1swf s ALA 72 N 1.54 3.37 0.28 7.40 0.00 -1.26 -1.46 121.76 131.62 1swf s ALA 72 Ca 0.06 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 1swf s ALA 72 Cb -0.15 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1swf s ALA 72 CO 0.03 -0.34 0.68 -0.48 0.00 0.00 0.00 175.76 175.66 1swf s LEU 73 N -1.77 -0.12 -0.18 0.00 2.34 -0.73 -1.04 118.68 117.18 1swf s LEU 73 Ca 0.48 -0.72 -0.32 0.00 0.06 0.00 0.00 54.13 53.64 1swf s LEU 73 Cb -0.33 2.55 0.14 0.00 -0.56 0.00 0.00 46.19 48.00 1swf s LEU 73 CO 0.43 -1.34 1.15 -0.83 -1.06 0.00 0.00 176.35 174.70 1swf s GLY 74 N -2.95 -0.21 0.18 -3.48 0.00 -0.50 -1.39 107.32 98.97 1swf s GLY 74 Ca 0.14 1.96 -0.11 0.00 0.00 0.00 0.00 44.72 46.71 1swf s GLY 74 CO 0.08 0.80 0.35 0.66 0.00 0.00 0.00 173.10 174.98 1swf s TRP 75 N -1.78 0.30 -0.00 1.90 -2.14 -0.84 -1.06 118.94 115.32 1swf s TRP 75 Ca 0.06 -0.66 0.05 0.00 2.66 0.00 0.00 56.10 58.20 1swf s TRP 75 Cb -0.01 0.05 -0.01 0.00 -3.10 0.00 0.00 33.47 30.40 1swf s TRP 75 CO -0.04 -0.79 -0.14 0.99 -2.66 0.00 0.00 176.95 174.31 1swf s THR 76 N -3.96 1.14 -0.07 0.66 2.01 -0.94 -0.19 115.64 114.30 1swf s THR 76 Ca 0.16 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1swf s THR 76 Cb 0.02 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1swf s THR 76 CO 0.01 0.29 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.45 1swf s VAL 77 N -0.40 0.90 -0.19 3.82 1.01 -0.61 -2.66 120.40 122.28 1swf s VAL 77 Ca 0.05 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1swf s VAL 77 Cb -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1swf s VAL 77 CO -0.00 0.32 0.21 0.00 0.00 0.00 0.00 175.10 175.62 1swf s ALA 78 N 1.03 3.64 -0.87 5.51 0.00 -1.26 -0.70 121.76 129.10 1swf s ALA 78 Ca -0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1swf s ALA 78 Cb -0.14 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 1swf s ALA 78 CO -0.00 0.09 2.97 0.91 0.00 0.00 0.00 175.76 179.73 1swf n TRP 79 N 3.63 1.63 -4.62 0.00 7.02 -0.27 -4.77 117.44 120.05 1swf n TRP 79 Ca -0.14 -2.35 -0.22 0.00 -1.02 0.00 0.00 57.50 53.77 1swf n TRP 79 Cb 0.52 -1.86 -0.15 0.00 -2.42 0.00 0.00 31.31 27.39 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 0.26 1.11 0.00 -0.99 2.20 -1.26 -0.05 119.74 121.01 1swf s LYS 80 Ca 0.63 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 1swf s LYS 80 Cb 0.26 -1.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.51 1swf s LYS 80 CO -0.09 0.29 0.00 0.27 -0.36 0.00 0.00 175.35 175.47 1swf n ASN 81 N 2.72 0.00 0.27 1.43 0.23 0.23 -4.79 115.26 115.35 1swf n ASN 81 Ca -0.14 -0.72 0.13 0.00 -0.53 0.00 0.00 54.58 53.32 1swf n ASN 81 Cb 0.55 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 39.07 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 0.00 0.00 0.00 0.53 7.08 -2.01 -3.27 115.58 117.91 1swf h ASN 82 Ca 0.00 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.01 1swf h ASN 82 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.20 1swf h ASN 82 CO 0.00 0.00 -1.80 -1.22 -2.08 0.00 0.00 177.43 172.33 1swf n TYR 83 N -4.07 0.00 -4.32 4.14 4.01 -1.26 -5.06 117.16 110.60 1swf n TYR 83 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1swf n TYR 83 Cb 0.12 -0.54 -0.10 0.00 -0.31 0.00 0.00 39.34 38.51 1swf n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1swf s ARG 84 N -2.28 1.26 -0.25 -0.72 0.52 -1.23 -5.13 118.95 111.12 1swf s ARG 84 Ca -0.19 -1.59 -0.02 0.00 -0.52 0.00 0.00 55.73 53.41 1swf s ARG 84 Cb 0.05 -0.79 0.13 0.00 0.52 0.00 0.00 34.95 34.86 1swf s ARG 84 CO 0.32 0.04 0.36 1.21 0.02 0.00 0.00 175.30 177.26 1swf s ASN 85 N -3.27 0.40 -0.04 0.23 3.84 -1.25 0.76 114.94 115.60 1swf s ASN 85 Ca 0.23 0.10 0.20 0.00 0.21 0.00 0.00 52.86 53.60 1swf s ASN 85 Cb 0.03 1.03 0.65 0.00 -0.55 0.00 0.00 41.25 42.41 1swf s ASN 85 CO 0.06 -0.31 1.55 0.00 -2.79 0.00 0.00 177.10 175.61 1swf n ALA 86 N 5.36 2.65 -3.87 1.71 0.00 0.93 -4.95 120.51 122.34 1swf n ALA 86 Ca -0.03 -1.34 -0.25 0.00 0.00 0.00 0.00 53.44 51.81 1swf n ALA 86 Cb 0.50 -0.98 -0.00 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 1.39 -1.73 -3.69 0.00 8.25 -1.26 -4.86 115.22 113.32 1swf n HIS 87 Ca 0.24 0.72 -0.09 0.00 -0.26 0.00 0.00 57.72 58.33 1swf n HIS 87 Cb 0.70 -3.83 -0.02 0.00 1.12 0.00 0.00 29.99 27.95 1swf n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swf s SER 88 N -4.26 -0.36 -0.01 0.41 1.04 -1.26 -1.72 113.70 107.54 1swf s SER 88 Ca 0.06 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1swf s SER 88 Cb -0.02 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1swf s SER 88 CO 0.87 -1.15 0.04 0.00 0.98 0.00 0.00 173.24 173.98 1swf s ALA 89 N -3.85 -0.10 -0.02 5.32 0.00 0.16 -1.12 121.76 122.15 1swf s ALA 89 Ca 0.07 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1swf s ALA 89 Cb -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1swf s ALA 89 CO -0.02 -0.03 -0.05 0.99 0.00 0.00 0.00 175.76 176.65 1swf s THR 90 N -0.05 3.80 -0.05 0.00 2.01 0.12 -1.49 115.64 119.98 1swf s THR 90 Ca -0.01 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1swf s THR 90 Cb -0.01 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1swf s THR 90 CO 0.00 0.45 -0.25 0.42 -0.69 0.00 0.00 174.62 174.55 1swf s THR 91 N -0.97 2.02 -0.14 -0.82 -4.23 0.10 -1.57 115.64 110.04 1swf s THR 91 Ca 0.16 -1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1swf s THR 91 Cb -0.11 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 1swf s THR 91 CO 0.06 0.57 -0.08 0.26 -0.54 0.00 0.00 174.62 174.89 1swf s TRP 92 N -0.29 2.93 -0.10 3.99 0.51 0.73 -1.80 118.94 124.92 1swf s TRP 92 Ca 0.00 -0.43 0.04 0.00 -2.12 0.00 0.00 56.10 53.59 1swf s TRP 92 Cb -0.13 -1.90 0.00 0.00 -0.81 0.00 0.00 33.47 30.64 1swf s TRP 92 CO 0.02 -0.10 -0.22 0.45 -0.51 0.00 0.00 176.95 176.59 1swf s SER 93 N 0.32 2.90 0.00 2.95 0.15 0.29 -1.98 113.70 118.33 1swf s SER 93 Ca -0.07 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1swf s SER 93 Cb -0.15 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 1swf s SER 93 CO 0.04 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1swf n GLY 94 N 3.57 1.62 3.26 9.45 0.00 -0.48 -1.75 105.19 120.86 1swf n GLY 94 Ca -0.20 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 3.03 0.60 -0.11 1.61 -2.07 -0.71 -1.76 119.66 120.25 1swf s GLN 95 Ca 0.00 0.11 -0.26 0.00 -1.82 0.00 0.00 55.36 53.38 1swf s GLN 95 Cb 0.00 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.17 1swf s GLN 95 CO 0.00 -0.14 0.86 -0.47 -1.32 0.00 0.00 175.29 174.22 1swf s TYR 96 N -0.73 3.51 -0.23 9.60 5.04 -0.54 -1.18 117.35 132.82 1swf s TYR 96 Ca -0.08 1.39 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1swf s TYR 96 Cb -0.04 -3.01 0.04 0.00 0.35 0.00 0.00 41.96 39.29 1swf s TYR 96 CO 0.03 -0.12 -0.12 0.08 -1.34 0.00 0.00 175.55 174.08 1swf s VAL 97 N 1.63 2.38 0.73 3.14 1.01 0.57 -1.17 120.40 128.69 1swf s VAL 97 Ca 0.42 -1.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1swf s VAL 97 Cb -0.18 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.02 1swf s VAL 97 CO 0.17 0.22 1.11 -0.83 0.00 0.00 0.00 175.10 175.77 1swf s GLY 98 N 1.23 1.62 0.00 4.51 0.00 -1.26 -0.98 107.32 112.44 1swf s GLY 98 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1swf s GLY 98 CO -0.07 -0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.54 1swf n GLY 99 N -3.07 0.74 0.26 0.20 0.00 -1.26 -4.72 105.19 97.35 1swf n GLY 99 Ca 0.07 -2.14 -0.10 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 -0.19 -2.07 4.61 0.00 -2.05 -2.95 119.26 116.61 1swf h ALA 100 Ca 0.00 0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.31 1swf h ALA 100 Cb 0.00 0.45 -0.38 0.00 0.00 0.00 0.00 17.79 17.85 1swf h ALA 100 CO 0.00 -0.69 -0.24 0.39 0.00 0.00 0.00 179.25 178.72 1swf n GLU 101 N -5.36 3.49 -1.45 0.00 1.02 -1.26 -5.07 120.64 112.02 1swf n GLU 101 Ca -0.03 -4.75 -0.36 0.00 -0.02 0.00 0.00 57.16 52.00 1swf n GLU 101 Cb 0.27 -2.31 0.09 0.00 -0.02 0.00 0.00 31.44 29.48 1swf n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1swf n ALA 102 N 0.25 0.39 -2.82 0.62 0.00 -1.12 -4.98 120.51 112.85 1swf n ALA 102 Ca 0.33 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1swf n ALA 102 Cb 0.37 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.50 1swf n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1swf s ARG 103 N -3.53 0.68 -0.23 0.00 1.70 -0.15 -3.73 118.95 113.70 1swf s ARG 103 Ca 0.77 -0.67 -0.01 0.00 -0.47 0.00 0.00 55.73 55.35 1swf s ARG 103 Cb -0.35 0.28 0.02 0.00 -0.57 0.00 0.00 34.95 34.33 1swf s ARG 103 CO 0.46 -0.20 -0.09 0.42 -1.08 0.00 0.00 175.30 174.82 1swf s ILE 104 N -2.65 2.80 -0.23 4.99 1.01 -0.62 -0.32 121.20 126.17 1swf s ILE 104 Ca -0.04 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 1swf s ILE 104 Cb -0.01 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1swf s ILE 104 CO -0.04 0.31 0.17 0.20 0.00 0.00 0.00 174.94 175.58 1swf s ASN 105 N 1.35 6.15 0.16 3.58 0.01 -0.32 -0.87 114.94 124.99 1swf s ASN 105 Ca 0.02 0.15 0.06 0.00 -0.71 0.00 0.00 52.86 52.38 1swf s ASN 105 Cb -0.15 -2.11 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 1swf s ASN 105 CO -0.06 0.07 -0.12 0.42 -1.51 0.00 0.00 177.10 175.90 1swf s THR 106 N 0.97 1.40 -0.04 1.60 -4.23 0.41 -1.75 115.64 114.01 1swf s THR 106 Ca 0.08 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 1swf s THR 106 Cb -0.13 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 1swf s THR 106 CO 0.04 -0.65 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.16 1swf s GLN 107 N -3.55 2.31 0.21 3.99 -0.21 -0.72 -1.77 119.66 119.92 1swf s GLN 107 Ca 0.18 -0.83 0.06 0.00 0.02 0.00 0.00 55.36 54.79 1swf s GLN 107 Cb 0.00 -2.19 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1swf s GLN 107 CO 0.03 0.57 -0.10 1.67 -2.12 0.00 0.00 175.29 175.34 1swf s TRP 108 N -0.62 1.64 -0.12 0.91 1.48 0.37 -0.54 118.94 122.06 1swf s TRP 108 Ca 0.10 -0.68 0.00 0.00 -1.06 0.00 0.00 56.10 54.46 1swf s TRP 108 Cb -0.11 -0.83 0.02 0.00 -1.16 0.00 0.00 33.47 31.40 1swf s TRP 108 CO -0.00 0.24 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.51 1swf s LEU 109 N -3.31 1.41 -0.24 -4.66 1.43 -0.74 -1.72 118.68 110.85 1swf s LEU 109 Ca 0.23 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 1swf s LEU 109 Cb 0.01 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1swf s LEU 109 CO 0.07 -0.08 0.02 -0.22 0.23 0.00 0.00 176.35 176.36 1swf s LEU 110 N 1.53 3.25 -0.15 1.79 2.96 -0.16 -0.72 118.68 127.18 1swf s LEU 110 Ca 0.03 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1swf s LEU 110 Cb -0.13 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1swf s LEU 110 CO -0.08 -0.06 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.90 1swf s THR 111 N 1.53 3.18 0.00 3.68 2.01 -0.56 -0.66 115.64 124.82 1swf s THR 111 Ca 0.05 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1swf s THR 111 Cb -0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1swf s THR 111 CO 0.00 0.50 0.12 -0.44 -0.69 0.00 0.00 174.62 174.12 1swf s SER 112 N 0.58 5.95 0.05 3.53 0.01 -0.76 -0.66 113.70 122.39 1swf s SER 112 Ca -0.07 0.21 -0.31 0.00 1.31 0.00 0.00 55.95 57.10 1swf s SER 112 Cb -0.15 -1.77 -0.07 0.00 0.21 0.00 0.00 66.02 64.24 1swf s SER 112 CO 0.03 0.26 1.46 -0.83 0.41 0.00 0.00 173.24 174.57 1swf s GLY 113 N -1.89 1.80 0.24 3.44 0.00 -0.70 -4.86 107.32 105.35 1swf s GLY 113 Ca 0.25 1.02 0.04 0.00 0.00 0.00 0.00 44.72 46.04 1swf s GLY 113 CO 0.17 2.57 -0.01 -0.51 0.00 0.00 0.00 173.10 175.32 1swf s THR 114 N 2.15 1.15 0.65 0.90 -4.23 -1.26 -5.05 115.64 109.96 1swf s THR 114 Ca 0.67 -2.05 -0.13 0.00 -1.18 0.00 0.00 61.69 58.99 1swf s THR 114 Cb -0.35 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 1swf s THR 114 CO 0.29 -0.32 1.07 0.42 -0.54 0.00 0.00 174.62 175.53 1swf s THR 115 N -3.34 3.79 0.18 3.99 -4.23 -1.26 -4.85 115.64 109.92 1swf s THR 115 Ca 0.29 0.72 -0.17 0.00 -1.18 0.00 0.00 61.69 61.35 1swf s THR 115 Cb 0.05 -3.32 0.15 0.00 1.34 0.00 0.00 72.50 70.73 1swf s THR 115 CO 0.09 -0.62 1.29 -0.62 -0.54 0.00 0.00 174.62 174.22 1swf n GLU 116 N -2.59 -0.23 -0.34 3.99 1.02 -1.26 -0.88 120.64 120.35 1swf n GLU 116 Ca 0.08 1.28 0.03 0.00 -0.02 0.00 0.00 57.16 58.53 1swf n GLU 116 Cb 0.53 -1.89 0.18 0.00 -0.02 0.00 0.00 31.44 30.24 1swf n GLU 116 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1swf h ALA 117 N 1.01 1.34 -0.00 0.62 0.00 -2.07 -2.04 119.26 118.12 1swf h ALA 117 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1swf h ALA 117 Cb 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1swf h ALA 117 CO -0.82 0.30 -0.10 0.09 0.00 0.00 0.00 179.25 178.72 1swf n ASN 118 N -4.59 0.14 -0.26 0.00 4.13 -0.06 -4.48 115.26 110.13 1swf n ASN 118 Ca 0.15 0.19 0.06 0.00 1.68 0.00 0.00 54.58 56.66 1swf n ASN 118 Cb 0.23 -0.30 0.19 0.00 -1.54 0.00 0.00 39.78 38.37 1swf n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1swf h ALA 119 N 3.10 1.10 -0.07 5.41 0.00 -0.77 -1.46 119.26 126.57 1swf h ALA 119 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1swf h ALA 119 Cb 0.46 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1swf h ALA 119 CO 0.00 -0.19 0.21 0.11 0.00 0.00 0.00 179.25 179.38 1swf h TRP 120 N 0.47 0.00 -0.29 0.00 5.08 -1.81 0.30 115.95 119.70 1swf h TRP 120 Ca 0.42 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.33 1swf h TRP 120 Cb 0.63 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.75 1swf h TRP 120 CO -0.15 0.00 -0.01 0.36 -1.28 0.00 0.00 178.44 177.36 1swf n LYS 121 N -3.21 2.47 0.11 0.12 2.85 -0.55 -4.73 118.16 115.22 1swf n LYS 121 Ca -0.01 -2.94 0.12 0.00 -1.05 0.00 0.00 58.31 54.43 1swf n LYS 121 Cb 0.29 -1.83 0.21 0.00 -0.65 0.00 0.00 35.03 33.05 1swf n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swf h SER 122 N 1.43 0.00 -3.23 -5.58 4.64 -0.40 -3.46 113.55 106.94 1swf h SER 122 Ca 0.08 -0.07 -0.65 0.00 -0.47 0.00 0.00 61.79 60.68 1swf h SER 122 Cb 1.52 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.27 1swf h SER 122 CO 0.28 0.04 -0.86 -0.89 -0.87 0.00 0.00 176.83 174.52 1swf s THR 123 N -3.19 1.92 0.15 2.95 2.01 -1.26 -1.83 115.64 116.39 1swf s THR 123 Ca 0.06 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1swf s THR 123 Cb 0.11 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1swf s THR 123 CO 0.69 0.52 0.26 -0.76 -0.69 0.00 0.00 174.62 174.64 1swf s LEU 124 N 0.80 4.23 0.07 4.42 1.43 0.17 -4.94 118.68 124.86 1swf s LEU 124 Ca -0.08 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1swf s LEU 124 Cb -0.16 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1swf s LEU 124 CO -0.01 0.05 -0.18 0.54 0.23 0.00 0.00 176.35 176.99 1swf s VAL 125 N -1.75 1.41 0.00 -1.59 0.11 -1.26 -0.99 120.40 116.34 1swf s VAL 125 Ca 0.34 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.05 1swf s VAL 125 Cb -0.11 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1swf s VAL 125 CO 0.27 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.58 1swf n GLY 126 N 1.37 1.55 3.30 6.54 0.00 -0.70 -4.99 105.19 112.26 1swf n GLY 126 Ca -0.20 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.42 -0.31 0.02 1.61 -3.43 -1.26 -0.47 115.29 108.04 1swf s HIS 127 Ca 0.00 0.54 0.01 0.00 -0.80 0.00 0.00 55.06 54.81 1swf s HIS 127 Cb 0.00 0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 31.29 1swf s HIS 127 CO 0.00 -0.41 -0.05 -0.51 -2.00 0.00 0.00 174.74 171.78 1swf s ASP 128 N -1.09 0.46 -0.08 7.38 1.01 -0.73 -4.95 116.67 118.67 1swf s ASP 128 Ca -0.11 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.71 1swf s ASP 128 Cb -0.04 0.05 0.02 0.00 1.01 0.00 0.00 42.92 43.97 1swf s ASP 128 CO 0.05 -0.21 -0.07 -0.89 0.21 0.00 0.00 175.17 174.26 1swf s THR 129 N -1.18 0.86 -0.09 -1.27 2.01 -1.26 -0.45 115.64 114.26 1swf s THR 129 Ca -0.11 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 1swf s THR 129 Cb -0.08 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1swf s THR 129 CO -0.00 0.32 0.01 -0.36 -0.69 0.00 0.00 174.62 173.90 1swf s PHE 130 N 1.38 3.19 0.11 4.92 0.40 -0.05 -3.78 117.98 124.15 1swf s PHE 130 Ca -0.02 0.21 0.10 0.00 -0.60 0.00 0.00 56.93 56.61 1swf s PHE 130 Cb -0.14 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1swf s PHE 130 CO -0.04 0.48 -0.23 0.99 0.70 0.00 0.00 175.22 177.12 1swf s THR 131 N -0.86 2.49 -0.34 0.64 2.01 0.10 -1.60 115.64 118.09 1swf s THR 131 Ca 0.13 -1.58 -0.29 0.00 0.31 0.00 0.00 61.69 60.26 1swf s THR 131 Cb -0.11 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 1swf s THR 131 CO 0.02 0.15 1.51 -0.75 -0.69 0.00 0.00 174.62 174.86 1swf s LYS 132 N -1.94 3.63 -0.00 4.92 2.47 -1.24 -0.05 119.74 127.51 1swf s LYS 132 Ca 0.15 1.23 0.00 0.00 -1.56 0.00 0.00 55.97 55.80 1swf s LYS 132 Cb -0.10 -4.04 0.01 0.00 -1.46 0.00 0.00 37.83 32.24 1swf s LYS 132 CO 0.07 -1.50 0.97 0.28 0.16 0.00 0.00 175.35 175.33 1swf n VAL 133 N 6.88 0.02 -2.39 4.02 0.31 0.15 -4.97 118.33 122.34 1swf n VAL 133 Ca 0.18 -0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.49 1swf n VAL 133 Cb 0.47 -0.04 -0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1swf n VAL 133 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1swf n SER 143 N -0.43 -3.66 0.18 4.52 2.88 -1.26 -4.61 113.62 111.24 1swf n SER 143 Ca 0.00 1.18 0.04 0.00 -1.33 0.00 0.00 58.87 58.76 1swf n SER 143 Cb 0.03 -2.53 0.31 0.00 -0.75 0.00 0.00 64.21 61.27 1swf n SER 143 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1swf h ALA 13 N 4.34 1.03 -0.25 -1.46 0.00 -1.93 -0.32 119.26 120.66 1swf h ALA 13 Ca -0.05 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1swf h ALA 13 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1swf h ALA 13 CO 0.00 0.54 -0.03 1.49 0.00 0.00 0.00 179.25 181.25 1swf h GLU 14 N 0.00 0.47 -0.25 0.00 4.81 -1.92 0.24 114.58 117.93 1swf h GLU 14 Ca -0.00 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 58.94 1swf h GLU 14 Cb 0.91 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1swf h GLU 14 CO 0.06 0.66 -0.34 0.00 -0.73 0.00 0.00 179.01 178.65 1swf h ALA 15 N 0.79 0.95 -0.04 2.92 0.00 -1.88 -3.14 119.26 118.85 1swf h ALA 15 Ca 0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1swf h ALA 15 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1swf h ALA 15 CO 0.02 0.61 -0.26 0.78 0.00 0.00 0.00 179.25 180.40 1swf h GLY 16 N 1.05 0.28 1.90 0.00 0.00 -0.96 -3.34 103.07 102.01 1swf h GLY 16 Ca 0.05 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 1swf h GLY 16 CO 0.07 0.36 -0.55 -2.22 0.00 0.00 0.00 176.54 174.20 1swf h ILE 17 N -0.30 1.38 -2.65 2.60 2.04 -1.03 -3.44 117.51 116.11 1swf h ILE 17 Ca -0.02 -1.87 -0.53 0.00 1.00 0.00 0.00 64.86 63.44 1swf h ILE 17 Cb 0.93 1.97 0.02 0.00 -0.74 0.00 0.00 36.82 39.00 1swf h ILE 17 CO 0.05 0.54 1.03 -0.89 0.00 0.00 0.00 178.15 178.88 1swf s THR 18 N -3.82 3.01 -5.00 -0.27 2.01 -1.19 -4.78 115.64 105.61 1swf s THR 18 Ca -0.03 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1swf s THR 18 Cb 0.13 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1swf s THR 18 CO 0.77 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.30 1swf n GLY 19 N 4.05 0.45 3.40 4.40 0.00 0.08 -4.99 105.19 112.59 1swf n GLY 19 Ca 0.16 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.11 2.89 0.14 2.61 2.01 -1.26 -0.80 115.64 118.12 1swf s THR 20 Ca 0.00 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1swf s THR 20 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1swf s THR 20 CO 0.00 0.56 -0.10 0.26 -0.69 0.00 0.00 174.62 174.65 1swf s TRP 21 N -0.18 1.26 0.02 4.92 0.52 0.24 -0.68 118.94 125.04 1swf s TRP 21 Ca -0.01 -0.75 -0.09 0.00 0.02 0.00 0.00 56.10 55.28 1swf s TRP 21 Cb -0.13 -0.64 0.00 0.00 -1.15 0.00 0.00 33.47 31.55 1swf s TRP 21 CO 0.03 0.08 0.18 1.52 0.02 0.00 0.00 176.95 178.78 1swf s TYR 22 N -3.25 0.05 0.29 -1.98 1.13 0.92 -1.87 117.35 112.63 1swf s TYR 22 Ca 0.16 -0.22 0.00 0.00 -1.41 0.00 0.00 57.07 55.60 1swf s TYR 22 Cb 0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.85 1swf s TYR 22 CO 0.01 -0.38 0.01 0.27 -2.51 0.00 0.00 175.55 172.95 1swf n ASN 23 N 0.95 2.74 0.06 -0.18 0.23 -0.58 0.02 115.26 118.50 1swf n ASN 23 Ca -0.20 -2.24 -0.11 0.00 -0.53 0.00 0.00 54.58 51.50 1swf n ASN 23 Cb 0.58 0.19 -0.05 0.00 -2.08 0.00 0.00 39.78 38.42 1swf n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1swf h GLN 24 N 0.00 -0.26 0.00 -3.83 -0.00 -1.90 -2.18 115.11 106.94 1swf h GLN 24 Ca -0.23 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 1swf h GLN 24 Cb 0.71 0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.25 1swf h GLN 24 CO 0.39 -0.18 0.05 1.28 -0.00 0.00 0.00 178.83 180.37 1swf n LEU 25 N -5.29 0.32 0.00 0.06 4.77 -1.26 -4.78 117.00 110.81 1swf n LEU 25 Ca -0.05 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1swf n LEU 25 Cb 0.21 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1swf n LEU 25 CO 0.26 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 1swf n GLY 26 N -1.36 0.59 3.75 -0.72 0.00 -0.82 -5.07 105.19 101.57 1swf n GLY 26 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.85 5.20 0.06 1.61 0.01 -1.26 -4.73 113.70 111.73 1swf s SER 27 Ca 0.00 2.37 0.03 0.00 1.31 0.00 0.00 55.95 59.66 1swf s SER 27 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1swf s SER 27 CO 0.00 -1.59 -0.09 0.42 0.41 0.00 0.00 173.24 172.39 1swf s THR 28 N -1.62 0.71 -0.04 1.44 -4.23 -0.24 -1.53 115.64 110.13 1swf s THR 28 Ca 0.77 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.01 1swf s THR 28 Cb -0.30 -0.84 0.01 0.00 1.34 0.00 0.00 72.50 72.71 1swf s THR 28 CO 0.33 -0.39 0.12 0.72 -0.54 0.00 0.00 174.62 174.86 1swf s PHE 29 N -1.59 -0.12 -0.15 3.99 -0.12 -0.78 0.22 117.98 119.43 1swf s PHE 29 Ca -0.06 0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 57.10 1swf s PHE 29 Cb -0.08 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.33 1swf s PHE 29 CO 0.00 -0.08 -0.12 0.42 -0.05 0.00 0.00 175.22 175.40 1swf s ILE 30 N -0.06 3.05 -0.00 -4.49 1.09 -0.91 -0.59 121.20 119.29 1swf s ILE 30 Ca -0.01 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 58.91 1swf s ILE 30 Cb -0.01 -2.31 -0.00 0.00 -1.06 0.00 0.00 42.46 39.08 1swf s ILE 30 CO 0.00 0.50 -0.04 0.54 -0.10 0.00 0.00 174.94 175.84 1swf s VAL 31 N 0.64 0.35 -0.23 2.92 0.11 0.02 -2.08 120.40 122.13 1swf s VAL 31 Ca -0.06 -0.23 -0.06 0.00 -2.93 0.00 0.00 61.98 58.69 1swf s VAL 31 Cb -0.15 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1swf s VAL 31 CO 0.03 0.07 0.04 -0.89 -3.33 0.00 0.00 175.10 171.01 1swf s THR 32 N -0.17 4.13 -0.08 5.04 2.01 -0.55 -0.74 115.64 125.28 1swf s THR 32 Ca 0.01 -0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.60 1swf s THR 32 Cb -0.02 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1swf s THR 32 CO -0.00 0.38 0.43 0.00 -0.69 0.00 0.00 174.62 174.74 1swf s ALA 33 N 1.34 3.57 0.26 7.40 0.00 -1.26 -2.92 121.76 130.15 1swf s ALA 33 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1swf s ALA 33 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1swf s ALA 33 CO 0.02 0.18 0.42 0.20 0.00 0.00 0.00 175.76 176.59 1swf s GLY 34 N -0.02 1.35 0.50 0.00 0.00 0.28 -4.97 107.32 104.46 1swf s GLY 34 Ca 0.24 -1.06 0.27 0.00 0.00 0.00 0.00 44.72 44.16 1swf s GLY 34 CO 0.11 -1.05 1.98 0.00 0.00 0.00 0.00 173.10 174.14 1swf h ALA 35 N 1.19 1.16 0.00 3.20 0.00 -1.98 -2.56 119.26 120.27 1swf h ALA 35 Ca -0.51 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1swf h ALA 35 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1swf h ALA 35 CO 0.62 0.19 -0.08 -0.40 0.00 0.00 0.00 179.25 179.59 1swf n ASP 36 N -3.50 0.66 0.00 0.00 5.75 -1.26 -4.90 116.55 113.29 1swf n ASP 36 Ca -0.01 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1swf n ASP 36 Cb 0.31 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 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 1.35 1.03 3.84 6.12 0.00 -0.96 -4.88 105.19 111.68 1swf n GLY 37 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.23 -0.09 4.61 0.00 -1.25 -1.64 121.76 124.62 1swf s ALA 38 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1swf s ALA 38 Cb 0.00 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.25 1swf s ALA 38 CO 0.00 0.25 -0.10 -0.51 0.00 0.00 0.00 175.76 175.40 1swf s LEU 39 N -3.08 1.44 -0.01 0.00 1.02 -0.59 -0.55 118.68 116.90 1swf s LEU 39 Ca 0.57 -0.30 -0.10 0.00 0.02 0.00 0.00 54.13 54.32 1swf s LEU 39 Cb -0.10 -0.84 0.01 0.00 0.02 0.00 0.00 46.19 45.28 1swf s LEU 39 CO 0.17 -0.04 0.20 -0.89 0.02 0.00 0.00 176.35 175.81 1swf s THR 40 N 1.15 0.07 -3.42 5.49 2.01 -1.15 -0.22 115.64 119.57 1swf s THR 40 Ca -0.05 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1swf s THR 40 Cb -0.14 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1swf s THR 40 CO -0.02 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1swf n GLY 41 N 1.58 -0.52 3.06 4.40 0.00 -0.26 -1.48 105.19 111.98 1swf n GLY 41 Ca -0.21 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.12 0.62 -0.13 2.61 -4.23 -0.88 -0.48 115.64 110.03 1swf s THR 42 Ca 0.00 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1swf s THR 42 Cb 0.00 -0.65 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 1swf s THR 42 CO 0.00 -0.26 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.25 1swf s TYR 43 N -1.14 2.88 -0.23 3.99 6.14 0.19 -2.13 117.35 127.05 1swf s TYR 43 Ca -0.06 -0.46 0.00 0.00 0.64 0.00 0.00 57.07 57.19 1swf s TYR 43 Cb -0.09 -1.86 0.03 0.00 0.42 0.00 0.00 41.96 40.47 1swf s TYR 43 CO 0.01 -0.09 -0.12 -2.00 0.64 0.00 0.00 175.55 173.98 1swf s GLU 44 N 0.20 2.76 0.00 4.97 2.12 0.13 0.19 118.70 129.07 1swf s GLU 44 Ca -0.06 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.26 1swf s GLU 44 Cb -0.15 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1swf s GLU 44 CO 0.04 -0.37 0.40 0.45 -0.54 0.00 0.00 175.26 175.24