#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 3.70 0.16 1.43 3.52 -1.26 -1.25 118.95 125.25 1swf s ARG 53 Ca 0.00 -0.33 0.06 0.00 -0.13 0.00 0.00 55.73 55.34 1swf s ARG 53 Cb 0.00 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1swf s ARG 53 CO 0.00 0.43 -0.13 0.71 -0.81 0.00 0.00 175.30 175.50 1swf s TYR 54 N -0.08 1.50 0.26 5.12 1.51 0.64 -4.82 117.35 121.47 1swf s TYR 54 Ca 0.07 -0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 55.21 1swf s TYR 54 Cb -0.12 -0.74 -0.09 0.00 -0.11 0.00 0.00 41.96 40.90 1swf s TYR 54 CO 0.01 0.22 1.01 0.08 -1.11 0.00 0.00 175.55 175.76 1swf s VAL 55 N -2.80 3.81 0.07 0.71 1.01 -1.26 -1.01 120.40 120.94 1swf s VAL 55 Ca 0.17 1.83 0.10 0.00 0.00 0.00 0.00 61.98 64.07 1swf s VAL 55 Cb -0.01 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1swf s VAL 55 CO 0.04 0.44 -0.25 -1.48 0.00 0.00 0.00 175.10 173.84 1swf s LEU 56 N -1.29 2.28 -0.04 3.92 0.05 -0.43 -4.32 118.68 118.85 1swf s LEU 56 Ca 0.43 -0.62 -0.08 0.00 0.05 0.00 0.00 54.13 53.91 1swf s LEU 56 Cb -0.29 -1.30 0.01 0.00 -2.05 0.00 0.00 46.19 42.56 1swf s LEU 56 CO 0.36 0.23 0.19 0.28 -0.55 0.00 0.00 176.35 176.86 1swf s THR 57 N -0.90 0.04 0.03 5.48 -1.32 -0.28 -2.60 115.64 116.09 1swf s THR 57 Ca 0.13 -0.34 -0.01 0.00 -1.21 0.00 0.00 61.69 60.26 1swf s THR 57 Cb -0.10 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1swf s THR 57 CO 0.04 -0.18 0.07 0.61 -2.21 0.00 0.00 174.62 172.94 1swf n GLY 58 N 2.17 1.82 3.08 6.08 0.00 -0.87 0.15 105.19 117.62 1swf n GLY 58 Ca -0.18 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.01 0.52 0.08 1.61 1.81 -0.09 -1.78 118.95 119.09 1swf s ARG 59 Ca 0.01 -0.75 -0.01 0.00 -1.72 0.00 0.00 55.73 53.26 1swf s ARG 59 Cb -0.00 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.66 1swf s ARG 59 CO 0.01 -0.12 0.01 1.52 -0.68 0.00 0.00 175.30 176.04 1swf s TYR 60 N -2.41 0.63 -0.42 -0.53 1.13 -0.44 -1.09 117.35 114.22 1swf s TYR 60 Ca -0.07 -1.12 -0.29 0.00 -1.41 0.00 0.00 57.07 54.19 1swf s TYR 60 Cb -0.03 -0.41 0.03 0.00 -1.10 0.00 0.00 41.96 40.45 1swf s TYR 60 CO -0.04 -0.44 1.11 0.34 -2.51 0.00 0.00 175.55 174.01 1swf s ASP 61 N -2.96 6.73 0.00 -0.18 2.15 -0.39 -4.51 116.67 117.51 1swf s ASP 61 Ca 0.13 0.66 0.29 0.00 0.43 0.00 0.00 52.55 54.07 1swf s ASP 61 Cb 0.08 -2.54 1.26 0.00 -0.30 0.00 0.00 42.92 41.42 1swf s ASP 61 CO -0.06 -1.11 1.91 -1.54 -0.17 0.00 0.00 175.17 174.20 1swf n SER 62 N 7.47 0.14 -3.20 -0.34 3.41 -1.26 -4.08 113.62 115.76 1swf n SER 62 Ca 0.12 0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 1swf n SER 62 Cb 0.48 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.33 2.52 -1.43 7.33 0.00 -1.26 -4.91 120.51 121.42 1swf n ALA 63 Ca 0.11 -3.53 -0.31 0.00 0.00 0.00 0.00 53.44 49.70 1swf n ALA 63 Cb 0.29 -0.84 0.06 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.58 2.65 0.85 0.00 0.04 -1.26 -5.00 135.00 130.70 1swf s PRO 64 Ca 0.37 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.43 1swf s PRO 64 Cb 0.21 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.90 1swf s PRO 64 CO -0.10 -1.34 1.12 0.00 0.04 0.00 0.00 177.00 176.72 1swf s ALA 65 N -2.84 1.85 -1.18 8.56 0.00 -1.26 -4.96 121.76 121.93 1swf s ALA 65 Ca 0.61 0.41 0.16 0.00 0.00 0.00 0.00 51.96 53.14 1swf s ALA 65 Cb -0.16 -3.36 0.51 0.00 0.00 0.00 0.00 23.12 20.11 1swf s ALA 65 CO 0.52 -2.27 1.43 0.25 0.00 0.00 0.00 175.76 175.69 1swf n THR 66 N -3.88 1.30 0.54 0.00 -2.24 -1.26 -4.62 114.28 104.12 1swf n THR 66 Ca 0.10 -1.13 0.06 0.00 -2.27 0.00 0.00 64.05 60.81 1swf n THR 66 Cb 0.53 0.35 0.19 0.00 -2.10 0.00 0.00 70.33 69.29 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 0.85 2.49 0.00 3.42 5.75 -1.26 -4.83 116.55 122.97 1swf n ASP 67 Ca 0.19 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1swf n ASP 67 Cb 0.62 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 0.96 1.00 3.72 6.12 0.00 -1.26 -5.07 105.19 110.65 1swf n GLY 68 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.87 4.28 0.99 1.61 0.01 -1.26 -5.03 113.70 112.43 1swf s SER 69 Ca 0.00 2.40 -0.17 0.00 1.31 0.00 0.00 55.95 59.49 1swf s SER 69 Cb 0.00 -2.59 0.22 0.00 0.21 0.00 0.00 66.02 63.86 1swf s SER 69 CO 0.00 -2.21 1.35 -0.83 0.41 0.00 0.00 173.24 171.96 1swf s GLY 70 N -1.92 1.82 -0.31 3.44 0.00 -1.26 -4.89 107.32 104.20 1swf s GLY 70 Ca 0.76 -1.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 1swf s GLY 70 CO 0.44 -0.49 0.11 -1.59 0.00 0.00 0.00 173.10 171.57 1swf s THR 71 N -3.94 4.21 0.27 0.90 2.01 -0.71 -4.77 115.64 113.61 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 -0.02 -3.18 -0.10 0.00 0.01 0.00 0.00 72.50 69.21 1swf s THR 71 CO 0.54 0.05 1.35 0.00 -0.69 0.00 0.00 174.62 175.86 1swf s ALA 72 N 1.54 3.54 0.25 7.40 0.00 -1.26 -0.54 121.76 132.69 1swf s ALA 72 Ca 0.03 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 1swf s ALA 72 Cb -0.17 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1swf s ALA 72 CO 0.04 -0.64 0.54 -0.48 0.00 0.00 0.00 175.76 175.22 1swf s LEU 73 N -0.96 0.16 0.11 0.00 0.05 -0.57 -1.26 118.68 116.22 1swf s LEU 73 Ca 0.54 -0.83 -0.25 0.00 0.05 0.00 0.00 54.13 53.64 1swf s LEU 73 Cb -0.40 2.03 0.08 0.00 -2.05 0.00 0.00 46.19 45.85 1swf s LEU 73 CO 0.46 -1.19 0.74 -0.83 -0.55 0.00 0.00 176.35 174.98 1swf s GLY 74 N -2.99 -0.48 0.19 -3.48 0.00 -0.25 -1.75 107.32 98.57 1swf s GLY 74 Ca 0.19 0.56 -0.20 0.00 0.00 0.00 0.00 44.72 45.28 1swf s GLY 74 CO 0.08 0.18 0.57 0.66 0.00 0.00 0.00 173.10 174.60 1swf s TRP 75 N -3.51 -0.27 0.03 1.90 -2.14 -0.82 -0.92 118.94 113.22 1swf s TRP 75 Ca 0.04 -0.05 0.05 0.00 2.66 0.00 0.00 56.10 58.80 1swf s TRP 75 Cb -0.02 0.49 -0.02 0.00 -3.10 0.00 0.00 33.47 30.83 1swf s TRP 75 CO -0.08 -0.94 -0.14 0.99 -2.66 0.00 0.00 176.95 174.11 1swf s THR 76 N -3.84 1.14 -0.07 0.66 2.01 0.39 -1.92 115.64 114.01 1swf s THR 76 Ca 0.07 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 1swf s THR 76 Cb -0.02 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1swf s THR 76 CO -0.05 0.07 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.23 1swf s VAL 77 N -0.76 0.60 -0.13 3.82 1.01 -0.83 -1.13 120.40 122.98 1swf s VAL 77 Ca 0.03 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 1swf s VAL 77 Cb -0.07 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1swf s VAL 77 CO 0.01 0.28 0.36 0.00 0.00 0.00 0.00 175.10 175.75 1swf s ALA 78 N 1.53 3.57 -0.18 5.51 0.00 -1.26 -0.42 121.76 130.51 1swf s ALA 78 Ca -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 1swf s ALA 78 Cb -0.13 -2.46 -0.13 0.00 0.00 0.00 0.00 23.12 20.40 1swf s ALA 78 CO -0.04 0.11 3.23 0.91 0.00 0.00 0.00 175.76 179.97 1swf n TRP 79 N 3.41 0.65 -5.16 0.00 7.02 0.15 -4.73 117.44 118.78 1swf n TRP 79 Ca -0.11 -1.67 -0.32 0.00 -1.02 0.00 0.00 57.50 54.39 1swf n TRP 79 Cb 0.52 -1.48 -0.16 0.00 -2.42 0.00 0.00 31.31 27.77 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 -0.14 2.85 0.00 -0.99 2.20 -1.26 -2.14 119.74 120.26 1swf s LYS 80 Ca 0.62 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1swf s LYS 80 Cb 0.34 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1swf s LYS 80 CO -0.09 0.30 0.00 0.27 -0.36 0.00 0.00 175.35 175.47 1swf n ASN 81 N 3.20 0.38 0.28 1.43 0.23 -0.25 -4.72 115.26 115.81 1swf n ASN 81 Ca -0.18 -0.39 0.19 0.00 -0.53 0.00 0.00 54.58 53.66 1swf n ASN 81 Cb 0.52 0.00 0.88 0.00 -2.08 0.00 0.00 39.78 39.11 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 2.35 -2.01 -3.34 115.58 113.11 1swf h ASN 82 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1swf h ASN 82 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1swf h ASN 82 CO 0.00 0.00 -1.23 -1.22 -1.65 0.00 0.00 177.43 173.33 1swf n TYR 83 N -2.93 0.00 -4.47 1.19 4.01 -1.26 -5.04 117.16 108.66 1swf n TYR 83 Ca -0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 1swf n TYR 83 Cb 0.18 -0.16 -0.11 0.00 -0.31 0.00 0.00 39.34 38.95 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 -2.08 2.50 -0.13 -0.72 0.52 -1.26 -5.12 118.95 112.66 1swf s ARG 84 Ca -0.04 -0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 1swf s ARG 84 Cb 0.01 -2.47 0.06 0.00 0.52 0.00 0.00 34.95 33.08 1swf s ARG 84 CO 0.10 0.59 0.18 1.21 0.02 0.00 0.00 175.30 177.41 1swf s ASN 85 N -1.45 1.10 0.00 0.23 2.47 -1.26 -1.09 114.94 114.95 1swf s ASN 85 Ca 0.17 0.07 0.23 0.00 0.42 0.00 0.00 52.86 53.74 1swf s ASN 85 Cb -0.11 0.28 0.28 0.00 -1.45 0.00 0.00 41.25 40.25 1swf s ASN 85 CO 0.08 -0.28 1.29 0.00 -3.72 0.00 0.00 177.10 174.47 1swf n ALA 86 N 5.32 2.44 -3.99 1.71 0.00 -0.91 -4.96 120.51 120.12 1swf n ALA 86 Ca -0.05 -0.82 -0.29 0.00 0.00 0.00 0.00 53.44 52.28 1swf n ALA 86 Cb 0.50 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 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 1.35 -1.83 -3.92 0.00 8.25 -1.26 -4.84 115.22 112.97 1swf n HIS 87 Ca 0.16 0.80 -0.09 0.00 -0.26 0.00 0.00 57.72 58.33 1swf n HIS 87 Cb 0.58 -3.65 -0.07 0.00 1.12 0.00 0.00 29.99 27.97 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 -3.88 0.13 -0.03 0.41 1.04 -1.26 -0.86 113.70 109.25 1swf s SER 88 Ca 0.33 -0.76 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 1swf s SER 88 Cb -0.17 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1swf s SER 88 CO 0.88 -0.77 0.08 0.00 0.98 0.00 0.00 173.24 174.41 1swf s ALA 89 N -3.90 -0.19 0.03 5.32 0.00 -0.88 0.31 121.76 122.45 1swf s ALA 89 Ca 0.09 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.32 1swf s ALA 89 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1swf s ALA 89 CO -0.07 -0.04 -0.15 0.99 0.00 0.00 0.00 175.76 176.49 1swf s THR 90 N -0.01 3.04 -0.08 0.00 2.01 0.44 -1.83 115.64 119.21 1swf s THR 90 Ca -0.01 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1swf s THR 90 Cb -0.01 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.21 1swf s THR 90 CO 0.00 0.35 -0.16 0.42 -0.69 0.00 0.00 174.62 174.53 1swf s THR 91 N -0.95 1.47 -0.16 -0.82 -4.23 -0.25 -1.96 115.64 108.73 1swf s THR 91 Ca 0.15 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.94 1swf s THR 91 Cb -0.11 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 1swf s THR 91 CO 0.06 0.43 -0.01 0.26 -0.54 0.00 0.00 174.62 174.82 1swf s TRP 92 N 0.53 3.08 -0.11 3.99 0.51 -0.81 -0.98 118.94 125.16 1swf s TRP 92 Ca -0.16 -0.22 0.02 0.00 -2.12 0.00 0.00 56.10 53.62 1swf s TRP 92 Cb -0.16 -2.00 0.02 0.00 -0.81 0.00 0.00 33.47 30.52 1swf s TRP 92 CO 0.06 -0.00 -0.15 0.45 -0.51 0.00 0.00 176.95 176.80 1swf s SER 93 N 0.40 2.40 0.00 2.95 0.15 0.26 -1.94 113.70 117.92 1swf s SER 93 Ca -0.02 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1swf s SER 93 Cb -0.14 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1swf s SER 93 CO 0.02 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1swf n GLY 94 N 4.23 1.94 3.07 9.45 0.00 -0.72 -0.50 105.19 122.67 1swf n GLY 94 Ca -0.19 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 1swf n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1swf s GLN 95 N 1.09 0.32 -0.07 1.61 -0.21 -0.35 -1.50 119.66 120.55 1swf s GLN 95 Ca 0.00 -0.05 -0.22 0.00 0.02 0.00 0.00 55.36 55.11 1swf s GLN 95 Cb 0.00 0.14 -0.04 0.00 1.00 0.00 0.00 33.01 34.11 1swf s GLN 95 CO 0.00 -0.06 0.64 -0.47 -2.12 0.00 0.00 175.29 173.27 1swf s TYR 96 N -0.56 3.57 -0.19 0.91 5.04 0.30 -1.55 117.35 124.87 1swf s TYR 96 Ca -0.06 1.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.73 1swf s TYR 96 Cb -0.04 -2.72 0.03 0.00 0.35 0.00 0.00 41.96 39.58 1swf s TYR 96 CO 0.01 0.14 -0.14 0.54 -1.34 0.00 0.00 175.55 174.76 1swf s VAL 97 N 0.64 1.78 0.00 3.14 0.11 -0.13 -1.74 120.40 124.20 1swf s VAL 97 Ca 0.34 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 1swf s VAL 97 Cb -0.17 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 1swf s VAL 97 CO 0.16 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 1swf n GLY 98 N 4.67 1.43 2.34 6.54 0.00 -1.26 -2.16 105.19 116.76 1swf n GLY 98 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 1.01 0.00 -0.02 0.00 -1.26 -4.73 105.19 105.19 1swf n GLY 99 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1swf n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swf n ALA 100 N 4.54 0.00 -2.68 4.61 0.00 -1.26 -4.69 120.51 121.03 1swf n ALA 100 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1swf n ALA 100 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1swf n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1swf s GLU 101 N 0.00 3.59 0.05 0.00 2.12 -1.26 -5.08 118.70 118.12 1swf s GLU 101 Ca 0.00 -0.15 -0.17 0.00 0.36 0.00 0.00 54.97 55.01 1swf s GLU 101 Cb 0.00 -2.82 -0.06 0.00 0.26 0.00 0.00 34.13 31.51 1swf s GLU 101 CO 0.00 0.41 0.50 0.00 -0.54 0.00 0.00 175.26 175.63 1swf s ALA 102 N -1.78 3.64 -0.02 6.30 0.00 -1.26 -4.80 121.76 123.84 1swf s ALA 102 Ca 0.41 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1swf s ALA 102 Cb -0.12 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1swf s ALA 102 CO 0.27 0.44 0.24 1.03 0.00 0.00 0.00 175.76 177.74 1swf s ARG 103 N -1.19 0.56 -0.20 0.00 0.52 -0.92 -3.64 118.95 114.09 1swf s ARG 103 Ca 0.28 -0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1swf s ARG 103 Cb -0.18 0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.54 1swf s ARG 103 CO 0.17 -0.14 -0.12 0.42 0.02 0.00 0.00 175.30 175.65 1swf s ILE 104 N -1.19 2.75 -0.27 1.52 1.01 0.26 -0.96 121.20 124.33 1swf s ILE 104 Ca -0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1swf s ILE 104 Cb -0.06 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1swf s ILE 104 CO 0.03 0.47 0.17 0.20 0.00 0.00 0.00 174.94 175.81 1swf s ASN 105 N 1.39 5.95 0.16 3.58 0.01 -0.60 -0.79 114.94 124.64 1swf s ASN 105 Ca 0.05 0.00 0.06 0.00 -0.71 0.00 0.00 52.86 52.26 1swf s ASN 105 Cb -0.14 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1swf s ASN 105 CO -0.08 -0.02 -0.12 0.42 -1.51 0.00 0.00 177.10 175.80 1swf s THR 106 N 1.56 1.34 0.05 1.60 -4.23 -0.70 -1.21 115.64 114.04 1swf s THR 106 Ca 0.07 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1swf s THR 106 Cb -0.15 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 1swf s THR 106 CO 0.09 -0.65 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.17 1swf s GLN 107 N -3.53 1.83 0.13 3.99 -0.21 0.34 -2.26 119.66 119.95 1swf s GLN 107 Ca 0.17 -1.10 0.04 0.00 0.02 0.00 0.00 55.36 54.49 1swf s GLN 107 Cb 0.00 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 1swf s GLN 107 CO 0.03 0.51 -0.10 1.67 -2.12 0.00 0.00 175.29 175.28 1swf s TRP 108 N -0.87 1.19 -0.07 0.91 1.48 0.78 -0.57 118.94 121.79 1swf s TRP 108 Ca 0.13 -0.75 0.03 0.00 -1.06 0.00 0.00 56.10 54.45 1swf s TRP 108 Cb -0.10 -0.62 0.01 0.00 -1.16 0.00 0.00 33.47 31.59 1swf s TRP 108 CO 0.03 0.05 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.29 1swf s LEU 109 N -3.00 1.83 -0.17 -4.66 1.43 -0.15 -1.78 118.68 112.17 1swf s LEU 109 Ca 0.14 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1swf s LEU 109 Cb 0.02 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.22 1swf s LEU 109 CO -0.00 0.10 -0.15 -0.22 0.23 0.00 0.00 176.35 176.30 1swf s LEU 110 N 0.45 2.01 -0.16 1.79 2.96 0.53 -1.09 118.68 125.18 1swf s LEU 110 Ca -0.14 -0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1swf s LEU 110 Cb -0.16 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1swf s LEU 110 CO 0.05 -0.06 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.09 1swf s THR 111 N 1.39 3.78 -0.05 3.68 2.01 -0.76 0.34 115.64 126.04 1swf s THR 111 Ca 0.03 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1swf s THR 111 Cb -0.14 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1swf s THR 111 CO -0.11 0.49 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.85 1swf s SER 112 N 0.42 5.01 0.20 3.53 0.01 -0.44 -2.07 113.70 120.36 1swf s SER 112 Ca -0.04 0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 1swf s SER 112 Cb -0.14 -1.32 -0.09 0.00 0.21 0.00 0.00 66.02 64.67 1swf s SER 112 CO 0.03 0.33 1.39 -0.83 0.41 0.00 0.00 173.24 174.58 1swf s GLY 113 N -1.14 2.26 0.03 3.44 0.00 -0.04 -4.85 107.32 107.01 1swf s GLY 113 Ca 0.15 1.22 -0.00 0.00 0.00 0.00 0.00 44.72 46.09 1swf s GLY 113 CO 0.05 2.24 -0.03 -0.51 0.00 0.00 0.00 173.10 174.85 1swf s THR 114 N 0.29 0.15 0.97 0.90 -4.23 -1.26 -5.00 115.64 107.47 1swf s THR 114 Ca 0.60 -1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 1swf s THR 114 Cb -0.39 -0.47 0.18 0.00 1.34 0.00 0.00 72.50 73.16 1swf s THR 114 CO 0.38 -0.57 1.10 0.42 -0.54 0.00 0.00 174.62 175.41 1swf s THR 115 N -1.82 2.26 -2.30 3.99 -4.23 -1.26 -4.89 115.64 107.39 1swf s THR 115 Ca -0.12 0.08 0.21 0.00 -1.18 0.00 0.00 61.69 60.69 1swf s THR 115 Cb -0.07 -2.23 0.46 0.00 1.34 0.00 0.00 72.50 71.99 1swf s THR 115 CO -0.02 -0.11 1.44 -0.62 -0.54 0.00 0.00 174.62 174.77 1swf n GLU 116 N -4.32 2.30 0.00 3.99 4.71 -1.26 -2.56 120.64 123.49 1swf n GLU 116 Ca 0.08 -1.98 0.13 0.00 -0.01 0.00 0.00 57.16 55.38 1swf n GLU 116 Cb 0.53 -1.47 0.49 0.00 -1.01 0.00 0.00 31.44 29.98 1swf n GLU 116 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1swf n ALA 117 N 1.17 2.86 -0.19 0.62 0.00 -1.26 -3.37 120.51 120.34 1swf n ALA 117 Ca 0.19 -0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1swf n ALA 117 Cb 0.52 -1.31 0.13 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.34 2.79 0.25 0.00 4.13 -1.06 -4.68 115.26 115.34 1swf n ASN 118 Ca 0.09 -2.06 0.11 0.00 1.68 0.00 0.00 54.58 54.40 1swf n ASN 118 Cb 0.32 -0.20 0.63 0.00 -1.54 0.00 0.00 39.78 38.98 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 1.61 1.23 0.00 5.41 0.00 -1.54 -1.69 119.26 124.28 1swf h ALA 119 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1swf h ALA 119 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1swf h ALA 119 CO 0.01 0.21 -0.17 0.11 0.00 0.00 0.00 179.25 179.41 1swf h TRP 120 N 0.00 0.00 -0.69 0.00 5.08 -1.84 -2.34 115.95 116.16 1swf h TRP 120 Ca -0.00 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.70 1swf h TRP 120 Cb 0.46 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.46 1swf h TRP 120 CO 0.00 0.17 0.28 0.36 -1.28 0.00 0.00 178.44 177.98 1swf n LYS 121 N -3.60 2.89 0.00 0.12 2.85 -0.64 -4.67 118.16 115.12 1swf n LYS 121 Ca -0.01 -3.07 0.11 0.00 -1.05 0.00 0.00 58.31 54.30 1swf n LYS 121 Cb 0.31 -2.10 0.13 0.00 -0.65 0.00 0.00 35.03 32.72 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 -0.65 0.97 -3.93 -5.58 3.41 -0.88 -4.89 113.62 102.07 1swf n SER 122 Ca 0.43 -0.78 -0.27 0.00 -0.26 0.00 0.00 58.87 57.99 1swf n SER 122 Cb 1.35 0.49 -0.17 0.00 -0.26 0.00 0.00 64.21 65.62 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 -2.83 1.10 0.13 6.66 2.01 -1.26 -1.33 115.64 120.12 1swf s THR 123 Ca 0.14 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1swf s THR 123 Cb 0.17 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1swf s THR 123 CO 0.70 0.38 0.28 -0.76 -0.69 0.00 0.00 174.62 174.53 1swf s LEU 124 N 1.56 4.33 0.01 4.42 1.43 0.15 -4.90 118.68 125.69 1swf s LEU 124 Ca 0.03 0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 1swf s LEU 124 Cb -0.13 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 1swf s LEU 124 CO -0.07 0.08 -0.19 0.54 0.23 0.00 0.00 176.35 176.94 1swf s VAL 125 N -1.68 1.51 0.24 -1.59 0.11 -1.26 -0.34 120.40 117.38 1swf s VAL 125 Ca 0.36 -0.97 -0.09 0.00 -2.93 0.00 0.00 61.98 58.35 1swf s VAL 125 Cb -0.12 -1.29 0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1swf s VAL 125 CO 0.28 0.29 0.47 0.61 -3.33 0.00 0.00 175.10 173.42 1swf n GLY 126 N 2.25 1.42 3.11 6.54 0.00 -0.74 -5.00 105.19 112.77 1swf n GLY 126 Ca -0.16 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.89 0.85 0.03 1.61 -3.43 -1.26 -0.15 115.29 108.04 1swf s HIS 127 Ca 0.10 -0.54 0.01 0.00 -0.80 0.00 0.00 55.06 53.83 1swf s HIS 127 Cb -0.03 -0.49 -0.02 0.00 -1.43 0.00 0.00 32.58 30.61 1swf s HIS 127 CO 0.07 -0.05 -0.05 -0.51 -2.00 0.00 0.00 174.74 172.20 1swf s ASP 128 N -1.81 0.50 -0.09 7.38 1.01 -0.96 -4.94 116.67 117.76 1swf s ASP 128 Ca -0.05 -0.53 0.01 0.00 0.71 0.00 0.00 52.55 52.69 1swf s ASP 128 Cb -0.08 0.07 0.02 0.00 1.01 0.00 0.00 42.92 43.94 1swf s ASP 128 CO 0.00 -0.26 -0.11 -0.89 0.21 0.00 0.00 175.17 174.12 1swf s THR 129 N -1.46 1.17 -0.08 -1.27 2.01 -1.26 -1.73 115.64 113.02 1swf s THR 129 Ca -0.13 -0.44 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 1swf s THR 129 Cb -0.10 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1swf s THR 129 CO -0.01 0.38 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.89 1swf s PHE 130 N 1.10 2.99 0.09 4.92 0.40 0.03 -4.02 117.98 123.50 1swf s PHE 130 Ca -0.06 0.04 0.10 0.00 -0.60 0.00 0.00 56.93 56.41 1swf s PHE 130 Cb -0.14 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 1swf s PHE 130 CO -0.02 0.34 -0.26 0.95 0.70 0.00 0.00 175.22 176.93 1swf s THR 131 N -0.74 2.13 0.04 0.64 -4.23 -0.84 -0.57 115.64 112.06 1swf s THR 131 Ca 0.11 -1.57 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 1swf s THR 131 Cb -0.11 -1.86 -0.06 0.00 1.34 0.00 0.00 72.50 71.80 1swf s THR 131 CO 0.02 0.19 0.45 -0.75 -0.54 0.00 0.00 174.62 173.99 1swf s LYS 132 N -1.68 3.95 -0.28 3.99 2.20 -1.24 -0.85 119.74 125.82 1swf s LYS 132 Ca 0.12 0.44 0.12 0.00 -0.36 0.00 0.00 55.97 56.29 1swf s LYS 132 Cb -0.10 -3.16 0.72 0.00 -1.51 0.00 0.00 37.83 33.78 1swf s LYS 132 CO 0.04 0.64 1.72 1.33 -0.36 0.00 0.00 175.35 178.72 1swf n VAL 133 N 1.56 2.79 -2.00 4.02 0.24 0.62 -4.95 118.33 120.61 1swf n VAL 133 Ca -0.12 -1.69 0.00 0.00 -2.04 0.00 0.00 64.34 60.49 1swf n VAL 133 Cb 0.52 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1swf n VAL 133 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1swf n SER 143 N -0.08 -2.78 -0.22 -1.34 2.88 -1.26 -5.02 113.62 105.80 1swf n SER 143 Ca 0.35 1.22 0.09 0.00 -1.33 0.00 0.00 58.87 59.20 1swf n SER 143 Cb 1.25 -2.59 0.36 0.00 -0.75 0.00 0.00 64.21 62.49 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 3.92 1.77 -0.34 -1.46 0.00 -1.95 0.20 119.26 121.41 1swf h ALA 13 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1swf h ALA 13 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1swf h ALA 13 CO 0.00 0.06 -0.14 1.49 0.00 0.00 0.00 179.25 180.66 1swf h GLU 14 N 0.73 0.69 0.00 0.00 4.81 -1.91 -1.46 114.58 117.44 1swf h GLU 14 Ca 0.38 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 1swf h GLU 14 Cb 0.48 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1swf h GLU 14 CO -0.15 0.89 -0.69 0.00 -0.73 0.00 0.00 179.01 178.33 1swf h ALA 15 N 0.78 0.58 -0.07 2.92 0.00 -1.79 -3.08 119.26 118.60 1swf h ALA 15 Ca 0.08 -0.61 -0.23 0.00 0.00 0.00 0.00 54.91 54.14 1swf h ALA 15 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1swf h ALA 15 CO 0.05 0.83 -0.88 0.78 0.00 0.00 0.00 179.25 180.02 1swf h GLY 16 N 3.36 0.73 0.93 0.00 0.00 -0.55 -3.27 103.07 104.27 1swf h GLY 16 Ca -0.01 -1.14 -0.11 0.00 0.00 0.00 0.00 47.33 46.06 1swf h GLY 16 CO 0.08 1.02 -0.30 -2.22 0.00 0.00 0.00 176.54 175.12 1swf h ILE 17 N 0.42 1.32 -2.38 2.60 2.04 -1.37 -3.44 117.51 116.69 1swf h ILE 17 Ca -0.08 -1.49 -0.55 0.00 1.00 0.00 0.00 64.86 63.75 1swf h ILE 17 Cb 1.51 1.71 0.04 0.00 -0.74 0.00 0.00 36.82 39.34 1swf h ILE 17 CO 0.17 0.47 1.08 0.41 0.00 0.00 0.00 178.15 180.28 1swf n THR 18 N -4.30 0.39 -0.88 -0.27 -1.04 -1.16 -4.77 114.28 102.25 1swf n THR 18 Ca -0.05 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1swf n THR 18 Cb 0.47 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 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 4.19 0.58 3.43 3.41 0.00 -0.33 -4.95 105.19 111.52 1swf n GLY 19 Ca 0.19 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.14 3.37 0.11 2.61 2.01 -1.26 -0.98 115.64 118.36 1swf s THR 20 Ca 0.00 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1swf s THR 20 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1swf s THR 20 CO 0.00 0.52 -0.10 0.26 -0.69 0.00 0.00 174.62 174.60 1swf s TRP 21 N 0.29 1.14 0.14 4.92 0.52 0.09 -0.27 118.94 125.77 1swf s TRP 21 Ca -0.07 -0.68 -0.05 0.00 0.02 0.00 0.00 56.10 55.31 1swf s TRP 21 Cb -0.15 -0.61 -0.02 0.00 -1.15 0.00 0.00 33.47 31.54 1swf s TRP 21 CO 0.05 0.03 0.18 1.52 0.02 0.00 0.00 176.95 178.74 1swf s TYR 22 N -2.68 0.58 0.00 -1.98 1.13 -0.03 -1.06 117.35 113.32 1swf s TYR 22 Ca 0.09 -0.96 0.00 0.00 -1.41 0.00 0.00 57.07 54.79 1swf s TYR 22 Cb -0.01 -0.24 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 1swf s TYR 22 CO 0.00 -0.62 0.00 0.27 -2.51 0.00 0.00 175.55 172.69 1swf n ASN 23 N -0.15 1.49 0.06 -0.18 6.94 -0.24 -1.99 115.26 121.19 1swf n ASN 23 Ca -0.07 -0.74 -0.12 0.00 -0.02 0.00 0.00 54.58 53.64 1swf n ASN 23 Cb 0.63 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.00 1swf n ASN 23 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1swf h GLN 24 N 0.00 -0.43 -0.03 -3.83 -0.00 -1.91 -2.07 115.11 106.85 1swf h GLN 24 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1swf h GLN 24 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1swf h GLN 24 CO 0.00 -0.28 0.00 1.28 -0.00 0.00 0.00 178.83 179.83 1swf n LEU 25 N -5.40 0.03 -0.69 0.06 4.77 -1.26 -4.82 117.00 109.70 1swf n LEU 25 Ca -0.05 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1swf n LEU 25 Cb 0.31 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1swf n LEU 25 CO 0.20 0.01 -0.08 0.61 -1.33 0.00 0.00 177.39 176.80 1swf n GLY 26 N 0.45 0.28 3.90 -0.72 0.00 -0.78 -5.02 105.19 103.31 1swf n GLY 26 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.76 6.39 0.02 1.61 0.01 -1.26 -4.84 113.70 112.87 1swf s SER 27 Ca 0.00 0.94 0.04 0.00 1.31 0.00 0.00 55.95 58.24 1swf s SER 27 Cb 0.00 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.97 1swf s SER 27 CO 0.00 -0.43 -0.13 -0.89 0.41 0.00 0.00 173.24 172.20 1swf s THR 28 N -2.47 0.98 -0.05 1.44 2.01 -0.74 -1.07 115.64 115.73 1swf s THR 28 Ca 0.48 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 1swf s THR 28 Cb -0.10 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1swf s THR 28 CO 0.37 0.08 0.18 0.72 -0.69 0.00 0.00 174.62 175.28 1swf s PHE 29 N -0.64 -0.15 -0.20 4.92 -0.12 -0.22 0.15 117.98 121.71 1swf s PHE 29 Ca 0.02 0.37 -0.06 0.00 -0.05 0.00 0.00 56.93 57.21 1swf s PHE 29 Cb -0.07 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 1swf s PHE 29 CO 0.00 -0.14 0.01 0.42 -0.05 0.00 0.00 175.22 175.47 1swf s ILE 30 N -0.21 4.09 0.10 -4.49 1.09 -0.56 -0.73 121.20 120.49 1swf s ILE 30 Ca -0.03 -0.27 0.08 0.00 -1.10 0.00 0.00 60.65 59.34 1swf s ILE 30 Cb -0.03 -2.86 -0.03 0.00 -1.06 0.00 0.00 42.46 38.48 1swf s ILE 30 CO 0.01 0.42 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.37 1swf s VAL 31 N 0.99 1.74 -0.17 2.92 1.01 -0.15 -2.14 120.40 124.59 1swf s VAL 31 Ca 0.02 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.50 1swf s VAL 31 Cb -0.14 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1swf s VAL 31 CO 0.02 -0.02 -0.18 -0.89 0.00 0.00 0.00 175.10 174.03 1swf s THR 32 N -1.11 1.91 -0.31 3.92 2.01 0.14 -1.18 115.64 121.02 1swf s THR 32 Ca 0.07 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 61.07 1swf s THR 32 Cb -0.10 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1swf s THR 32 CO 0.04 0.50 0.33 0.00 -0.69 0.00 0.00 174.62 174.80 1swf s ALA 33 N 1.35 3.52 0.58 7.40 0.00 -1.26 -1.82 121.76 131.53 1swf s ALA 33 Ca 0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1swf s ALA 33 Cb -0.13 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1swf s ALA 33 CO -0.12 -0.86 1.03 0.20 0.00 0.00 0.00 175.76 176.01 1swf s GLY 34 N 1.71 1.95 0.60 0.00 0.00 0.21 -4.91 107.32 106.88 1swf s GLY 34 Ca 0.11 0.18 0.38 0.00 0.00 0.00 0.00 44.72 45.39 1swf s GLY 34 CO 0.11 0.47 2.17 0.00 0.00 0.00 0.00 173.10 175.85 1swf h ALA 35 N 0.31 1.04 -0.02 3.20 0.00 -1.98 -2.43 119.26 119.39 1swf h ALA 35 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1swf h ALA 35 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1swf h ALA 35 CO 0.60 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 1swf n ASP 36 N -3.17 1.38 0.00 0.00 5.75 -1.26 -4.90 116.55 114.35 1swf n ASP 36 Ca -0.01 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1swf n ASP 36 Cb 0.19 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.16 0.57 3.74 6.12 0.00 -0.91 -4.89 105.19 110.97 1swf n GLY 37 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 3.39 -0.11 4.61 0.00 -1.26 -1.33 121.76 125.05 1swf s ALA 38 Ca 0.00 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.83 1swf s ALA 38 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1swf s ALA 38 CO 0.00 -0.26 -0.20 -0.51 0.00 0.00 0.00 175.76 174.79 1swf s LEU 39 N -0.26 1.95 -0.05 0.00 1.02 -0.73 0.63 118.68 121.23 1swf s LEU 39 Ca 0.51 -0.51 -0.11 0.00 0.02 0.00 0.00 54.13 54.03 1swf s LEU 39 Cb -0.30 -1.28 0.02 0.00 0.02 0.00 0.00 46.19 44.65 1swf s LEU 39 CO 0.35 0.08 0.26 0.28 0.02 0.00 0.00 176.35 177.34 1swf s THR 40 N 0.72 0.04 -3.05 5.49 -1.32 -0.76 -2.04 115.64 114.73 1swf s THR 40 Ca -0.11 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1swf s THR 40 Cb -0.16 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1swf s THR 40 CO 0.02 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1swf n GLY 41 N 2.07 -0.52 2.99 6.08 0.00 -1.07 -0.68 105.19 114.06 1swf n GLY 41 Ca -0.18 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.04 0.29 -0.12 2.61 -4.23 -0.91 -1.32 115.64 108.92 1swf s THR 42 Ca 0.00 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1swf s THR 42 Cb 0.00 -0.36 -0.01 0.00 1.34 0.00 0.00 72.50 73.46 1swf s THR 42 CO 0.00 -0.31 -0.16 -0.47 -0.54 0.00 0.00 174.62 173.14 1swf s TYR 43 N -1.06 2.73 -0.11 3.99 6.14 -0.18 -1.50 117.35 127.36 1swf s TYR 43 Ca -0.09 -0.75 0.01 0.00 0.64 0.00 0.00 57.07 56.88 1swf s TYR 43 Cb -0.08 -1.79 -0.01 0.00 0.42 0.00 0.00 41.96 40.50 1swf s TYR 43 CO -0.00 -0.26 -0.15 -2.00 0.64 0.00 0.00 175.55 173.78 1swf s GLU 44 N 0.30 3.22 0.00 4.97 2.12 0.12 -0.26 118.70 129.17 1swf s GLU 44 Ca -0.13 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.54 1swf s GLU 44 Cb -0.16 -2.55 0.05 0.00 0.26 0.00 0.00 34.13 31.73 1swf s GLU 44 CO 0.06 0.26 0.68 0.45 -0.54 0.00 0.00 175.26 176.18