#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swg n SER 52 N 0.00 2.95 -4.73 4.31 3.41 -1.26 -4.78 113.62 113.53 1swg n SER 52 Ca 0.00 -1.92 -0.35 0.00 -0.26 0.00 0.00 58.87 56.34 1swg n SER 52 Cb 0.00 -0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 1swg n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1swg s ARG 53 N -1.55 3.06 0.05 4.33 0.52 -1.26 -3.27 118.95 120.83 1swg s ARG 53 Ca 0.37 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.23 1swg s ARG 53 Cb 0.21 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.80 1swg s ARG 53 CO 0.30 0.71 -0.09 0.71 0.02 0.00 0.00 175.30 176.94 1swg s TYR 54 N -0.95 0.81 0.33 -0.53 1.51 0.95 -4.83 117.35 114.64 1swg s TYR 54 Ca 0.15 -0.46 -0.28 0.00 -1.01 0.00 0.00 57.07 55.47 1swg s TYR 54 Cb -0.11 -0.48 -0.10 0.00 -0.11 0.00 0.00 41.96 41.16 1swg s TYR 54 CO 0.04 -0.04 1.24 0.08 -1.11 0.00 0.00 175.55 175.76 1swg s VAL 55 N -1.24 2.95 0.10 0.71 1.01 -1.26 -0.80 120.40 121.86 1swg s VAL 55 Ca -0.07 0.93 0.08 0.00 0.00 0.00 0.00 61.98 62.93 1swg s VAL 55 Cb -0.09 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1swg s VAL 55 CO 0.01 0.20 -0.20 -1.48 0.00 0.00 0.00 175.10 173.63 1swg s LEU 56 N -1.83 2.29 -0.02 3.92 0.05 -0.71 -4.25 118.68 118.13 1swg s LEU 56 Ca 0.49 -0.67 -0.10 0.00 0.05 0.00 0.00 54.13 53.90 1swg s LEU 56 Cb -0.37 -0.86 0.01 0.00 -2.05 0.00 0.00 46.19 42.92 1swg s LEU 56 CO 0.48 0.05 0.21 0.28 -0.55 0.00 0.00 176.35 176.82 1swg s THR 57 N -1.15 0.06 0.00 5.48 -1.32 -0.66 -2.80 115.64 115.26 1swg s THR 57 Ca 0.06 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1swg s THR 57 Cb -0.10 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.41 1swg s THR 57 CO 0.04 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 1swg n GLY 58 N 1.59 1.59 3.05 6.08 0.00 -0.15 -0.27 105.19 117.08 1swg n GLY 58 Ca -0.21 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1swg n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swg s ARG 59 N -1.95 0.44 0.09 1.61 1.81 -0.60 -0.49 118.95 119.85 1swg s ARG 59 Ca 0.00 -0.67 -0.04 0.00 -1.72 0.00 0.00 55.73 53.30 1swg s ARG 59 Cb 0.00 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.64 1swg s ARG 59 CO 0.00 -0.09 0.07 1.52 -0.68 0.00 0.00 175.30 176.12 1swg s TYR 60 N -1.98 0.48 -0.49 -0.53 1.13 0.08 -1.34 117.35 114.70 1swg s TYR 60 Ca -0.11 -0.95 -0.28 0.00 -1.41 0.00 0.00 57.07 54.32 1swg s TYR 60 Cb -0.06 -0.29 0.01 0.00 -1.10 0.00 0.00 41.96 40.53 1swg s TYR 60 CO -0.02 -0.48 1.42 0.34 -2.51 0.00 0.00 175.55 174.29 1swg s ASP 61 N -2.93 6.22 0.00 -0.18 -1.08 -0.44 -4.59 116.67 113.67 1swg s ASP 61 Ca 0.11 0.54 0.29 0.00 -0.52 0.00 0.00 52.55 52.97 1swg s ASP 61 Cb 0.07 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.34 1swg s ASP 61 CO -0.07 -1.58 1.92 -1.54 0.52 0.00 0.00 175.17 174.41 1swg n SER 62 N 9.25 0.84 -3.20 -0.34 3.41 -1.26 -4.02 113.62 118.30 1swg n SER 62 Ca 0.14 -1.19 -0.23 0.00 -0.26 0.00 0.00 58.87 57.33 1swg n SER 62 Cb 0.49 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1swg n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swg n ALA 63 N -0.40 2.68 -1.05 7.33 0.00 -1.26 -5.04 120.51 122.77 1swg n ALA 63 Ca 0.20 -3.67 -0.30 0.00 0.00 0.00 0.00 53.44 49.66 1swg n ALA 63 Cb 0.26 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.00 1swg n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swg s PRO 64 N -1.88 1.35 0.75 0.00 0.04 -1.26 -4.97 135.00 129.04 1swg s PRO 64 Ca 0.38 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 1swg s PRO 64 Cb 0.23 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 33.01 1swg s PRO 64 CO -0.09 -2.26 1.12 0.00 0.04 0.00 0.00 177.00 175.81 1swg n ALA 65 N -3.93 0.08 -0.45 8.56 0.00 -1.26 -4.93 120.51 118.57 1swg n ALA 65 Ca 0.08 -0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1swg n ALA 65 Cb 0.54 -2.21 0.28 0.00 0.00 0.00 0.00 19.45 18.06 1swg n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1swg n THR 66 N -2.76 1.38 0.67 0.00 -2.24 -1.26 -4.54 114.28 105.53 1swg n THR 66 Ca 0.14 -1.14 0.08 0.00 -2.27 0.00 0.00 64.05 60.86 1swg n THR 66 Cb 0.50 0.32 0.23 0.00 -2.10 0.00 0.00 70.33 69.27 1swg n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swg n ASP 67 N 0.98 2.32 0.00 3.42 5.68 -1.26 -4.89 116.55 122.81 1swg n ASP 67 Ca 0.21 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1swg n ASP 67 Cb 0.68 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1swg n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swg n GLY 68 N 1.21 0.39 3.76 6.12 0.00 -1.26 -5.08 105.19 110.34 1swg n GLY 68 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1swg n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swg s SER 69 N -2.48 5.46 1.03 1.61 0.01 -1.26 -5.04 113.70 113.04 1swg s SER 69 Ca 0.00 2.31 -0.15 0.00 1.31 0.00 0.00 55.95 59.43 1swg s SER 69 Cb 0.00 -2.59 0.20 0.00 0.21 0.00 0.00 66.02 63.84 1swg s SER 69 CO 0.00 -1.40 1.10 0.61 0.41 0.00 0.00 173.24 173.96 1swg n GLY 70 N 0.38 -1.65 3.45 3.44 0.00 -1.26 -4.81 105.19 104.74 1swg n GLY 70 Ca 0.12 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 1swg n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swg s THR 71 N -3.35 4.72 0.33 2.61 2.01 0.73 -4.73 115.64 117.95 1swg s THR 71 Ca 0.64 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 1swg s THR 71 Cb -0.02 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 68.96 1swg s THR 71 CO 0.45 0.03 1.32 0.00 -0.69 0.00 0.00 174.62 175.73 1swg s ALA 72 N 1.63 3.50 0.22 7.40 0.00 -1.26 0.09 121.76 133.33 1swg s ALA 72 Ca 0.05 1.27 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 1swg s ALA 72 Cb -0.17 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1swg s ALA 72 CO 0.07 -0.66 0.73 -0.48 0.00 0.00 0.00 175.76 175.42 1swg s LEU 73 N -1.75 -0.34 0.01 0.00 0.05 -0.41 -1.33 118.68 114.91 1swg s LEU 73 Ca 0.49 -0.39 -0.28 0.00 0.05 0.00 0.00 54.13 54.01 1swg s LEU 73 Cb -0.40 2.58 0.09 0.00 -2.05 0.00 0.00 46.19 46.42 1swg s LEU 73 CO 0.53 -1.15 0.81 -0.83 -0.55 0.00 0.00 176.35 175.15 1swg s GLY 74 N -2.85 -0.49 0.19 -3.48 0.00 -0.45 -0.92 107.32 99.32 1swg s GLY 74 Ca 0.08 1.05 -0.16 0.00 0.00 0.00 0.00 44.72 45.69 1swg s GLY 74 CO 0.00 0.45 0.48 0.66 0.00 0.00 0.00 173.10 174.69 1swg s TRP 75 N -2.80 0.00 0.02 1.90 -2.14 -0.17 -1.56 118.94 114.19 1swg s TRP 75 Ca 0.01 -0.36 0.05 0.00 2.66 0.00 0.00 56.10 58.47 1swg s TRP 75 Cb -0.01 0.30 -0.02 0.00 -3.10 0.00 0.00 33.47 30.64 1swg s TRP 75 CO -0.07 -0.89 -0.14 0.99 -2.66 0.00 0.00 176.95 174.18 1swg s THR 76 N -3.90 1.14 -0.13 0.66 2.01 0.63 -1.21 115.64 114.83 1swg s THR 76 Ca 0.11 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1swg s THR 76 Cb -0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1swg s THR 76 CO -0.02 0.13 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.20 1swg s VAL 77 N -0.65 1.60 -0.19 3.82 1.01 -0.32 -1.65 120.40 124.02 1swg s VAL 77 Ca 0.03 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1swg s VAL 77 Cb -0.07 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1swg s VAL 77 CO 0.01 0.46 0.35 0.00 0.00 0.00 0.00 175.10 175.92 1swg s ALA 78 N 1.20 3.56 0.00 5.51 0.00 -1.26 -0.82 121.76 129.96 1swg s ALA 78 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1swg s ALA 78 Cb -0.14 -2.55 -0.23 0.00 0.00 0.00 0.00 23.12 20.20 1swg s ALA 78 CO -0.06 -0.19 3.36 0.91 0.00 0.00 0.00 175.76 179.78 1swg n TRP 79 N 4.22 0.00 -4.76 0.00 7.02 -0.57 -4.72 117.44 118.63 1swg n TRP 79 Ca -0.10 -1.40 -0.26 0.00 -1.02 0.00 0.00 57.50 54.73 1swg n TRP 79 Cb 0.51 -1.45 -0.16 0.00 -2.42 0.00 0.00 31.31 27.79 1swg n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swg s LYS 80 N 0.97 1.82 0.02 -0.99 2.20 -1.26 -1.07 119.74 121.43 1swg s LYS 80 Ca 0.58 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1swg s LYS 80 Cb 0.28 -1.53 -0.00 0.00 -1.51 0.00 0.00 37.83 35.07 1swg s LYS 80 CO 0.00 0.15 0.01 0.27 -0.36 0.00 0.00 175.35 175.43 1swg n ASN 81 N 3.42 -0.04 0.00 1.43 0.23 -0.29 -4.73 115.26 115.28 1swg n ASN 81 Ca -0.20 -1.10 0.10 0.00 -0.53 0.00 0.00 54.58 52.85 1swg n ASN 81 Cb 0.53 0.08 0.57 0.00 -2.08 0.00 0.00 39.78 38.88 1swg n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swg n ASN 82 N -2.86 0.00 -0.02 0.53 3.02 -1.26 -3.54 115.26 111.13 1swg n ASN 82 Ca 0.00 -0.32 -0.03 0.00 -0.03 0.00 0.00 54.58 54.21 1swg n ASN 82 Cb 0.03 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 1swg n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swg n TYR 83 N -1.15 0.00 -4.06 3.10 4.01 -1.26 -5.09 117.16 112.70 1swg n TYR 83 Ca 0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.76 1swg n TYR 83 Cb 0.12 -0.21 -0.11 0.00 -0.31 0.00 0.00 39.34 38.84 1swg n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1swg s ARG 84 N -2.10 0.53 -0.16 -0.72 0.52 -1.23 -5.15 118.95 110.64 1swg s ARG 84 Ca -0.04 -0.88 -0.05 0.00 -0.52 0.00 0.00 55.73 54.25 1swg s ARG 84 Cb 0.01 -0.10 0.08 0.00 0.52 0.00 0.00 34.95 35.46 1swg s ARG 84 CO 0.16 -0.01 0.30 1.21 0.02 0.00 0.00 175.30 176.97 1swg s ASN 85 N -1.98 0.33 0.00 0.23 3.84 -1.26 -1.14 114.94 114.97 1swg s ASN 85 Ca -0.06 0.56 0.24 0.00 0.21 0.00 0.00 52.86 53.82 1swg s ASN 85 Cb -0.05 0.82 0.24 0.00 -0.55 0.00 0.00 41.25 41.71 1swg s ASN 85 CO -0.02 -0.25 1.28 0.00 -2.79 0.00 0.00 177.10 175.32 1swg n ALA 86 N 5.36 2.56 -3.78 1.71 0.00 -0.23 -4.98 120.51 121.15 1swg n ALA 86 Ca -0.06 -0.67 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 1swg n ALA 86 Cb 0.50 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.13 1swg n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swg n HIS 87 N 1.14 -1.82 -3.82 0.00 8.25 -1.26 -4.85 115.22 112.86 1swg n HIS 87 Ca 0.14 0.67 -0.09 0.00 -0.26 0.00 0.00 57.72 58.18 1swg n HIS 87 Cb 0.57 -3.82 -0.04 0.00 1.12 0.00 0.00 29.99 27.82 1swg n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swg s SER 88 N -4.05 -0.19 -0.10 0.41 1.04 -1.26 -1.52 113.70 108.03 1swg s SER 88 Ca 0.17 -0.62 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 1swg s SER 88 Cb -0.06 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1swg s SER 88 CO 0.86 -1.06 0.30 0.00 0.98 0.00 0.00 173.24 174.32 1swg s ALA 89 N -3.91 -0.75 -0.05 5.32 0.00 -0.28 -1.51 121.76 120.58 1swg s ALA 89 Ca 0.13 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.94 1swg s ALA 89 Cb -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1swg s ALA 89 CO 0.00 -0.16 -0.20 0.99 0.00 0.00 0.00 175.76 176.40 1swg s THR 90 N 0.01 2.54 -0.06 0.00 2.01 0.00 -0.81 115.64 119.34 1swg s THR 90 Ca -0.01 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1swg s THR 90 Cb -0.02 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1swg s THR 90 CO 0.01 0.58 -0.23 0.42 -0.69 0.00 0.00 174.62 174.70 1swg s THR 91 N -0.50 2.22 -0.19 -0.82 -4.23 -0.11 -1.17 115.64 110.84 1swg s THR 91 Ca 0.06 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 1swg s THR 91 Cb -0.11 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 1swg s THR 91 CO 0.01 0.57 -0.04 0.26 -0.54 0.00 0.00 174.62 174.88 1swg s TRP 92 N -0.16 2.98 -0.12 3.99 0.51 -0.35 -0.93 118.94 124.86 1swg s TRP 92 Ca -0.03 -0.58 0.03 0.00 -2.12 0.00 0.00 56.10 53.39 1swg s TRP 92 Cb -0.14 -2.03 0.01 0.00 -0.81 0.00 0.00 33.47 30.50 1swg s TRP 92 CO 0.04 -0.28 -0.22 0.45 -0.51 0.00 0.00 176.95 176.42 1swg s SER 93 N 0.92 3.13 0.00 2.95 0.15 0.06 -1.00 113.70 119.92 1swg s SER 93 Ca -0.00 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1swg s SER 93 Cb -0.15 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1swg s SER 93 CO 0.01 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1swg n GLY 94 N 3.84 1.59 3.09 9.45 0.00 -0.09 -1.47 105.19 121.61 1swg n GLY 94 Ca -0.20 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1swg n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swg s GLN 95 N 1.13 0.43 -0.11 1.61 -2.07 -0.46 -1.29 119.66 118.90 1swg s GLN 95 Ca 0.00 -0.32 -0.20 0.00 -1.82 0.00 0.00 55.36 53.02 1swg s GLN 95 Cb 0.00 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 1swg s GLN 95 CO 0.00 -0.10 0.56 -0.47 -1.32 0.00 0.00 175.29 173.96 1swg s TYR 96 N -1.18 3.52 -0.24 9.60 5.04 0.11 -1.36 117.35 132.85 1swg s TYR 96 Ca -0.13 1.00 0.02 0.00 -2.44 0.00 0.00 57.07 55.53 1swg s TYR 96 Cb -0.07 -2.65 0.05 0.00 0.35 0.00 0.00 41.96 39.65 1swg s TYR 96 CO 0.01 0.12 -0.11 0.08 -1.34 0.00 0.00 175.55 174.31 1swg s VAL 97 N 0.77 1.99 0.24 3.14 1.01 0.74 -0.19 120.40 128.09 1swg s VAL 97 Ca 0.30 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1swg s VAL 97 Cb -0.16 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.19 1swg s VAL 97 CO 0.13 0.06 0.33 0.61 0.00 0.00 0.00 175.10 176.22 1swg n GLY 98 N 4.52 -0.99 0.00 4.51 0.00 -1.26 -0.54 105.19 111.43 1swg n GLY 98 Ca -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1swg n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swg n GLY 99 N 2.84 0.35 0.14 -0.02 0.00 -1.26 -4.54 105.19 102.69 1swg n GLY 99 Ca 0.04 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 1swg n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg h ALA 100 N 0.00 -0.24 -1.03 4.61 0.00 -2.06 -3.26 119.26 117.27 1swg h ALA 100 Ca 0.00 -0.20 -0.76 0.00 0.00 0.00 0.00 54.91 53.94 1swg h ALA 100 Cb 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 1swg h ALA 100 CO 0.00 -0.42 1.87 -1.91 0.00 0.00 0.00 179.25 178.79 1swg n GLU 101 N -5.01 3.87 -1.65 0.00 4.07 -1.26 -4.99 120.64 115.66 1swg n GLU 101 Ca -0.09 -3.69 -0.46 0.00 -0.06 0.00 0.00 57.16 52.87 1swg n GLU 101 Cb 0.25 -2.83 -0.03 0.00 -0.06 0.00 0.00 31.44 28.77 1swg n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1swg n ALA 102 N 3.22 0.75 -3.05 4.31 0.00 -1.23 -4.86 120.51 119.65 1swg n ALA 102 Ca 0.40 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 54.16 1swg n ALA 102 Cb 0.35 -2.24 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 1swg n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1swg s ARG 103 N -0.14 0.54 -0.25 0.00 0.52 0.30 -4.17 118.95 115.75 1swg s ARG 103 Ca 0.72 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.48 1swg s ARG 103 Cb -0.70 0.22 0.04 0.00 0.52 0.00 0.00 34.95 35.03 1swg s ARG 103 CO 0.48 -0.14 -0.09 0.42 0.02 0.00 0.00 175.30 175.99 1swg s ILE 104 N -1.66 2.49 -0.23 1.52 1.01 -0.47 -0.19 121.20 123.67 1swg s ILE 104 Ca -0.13 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.12 1swg s ILE 104 Cb -0.06 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1swg s ILE 104 CO 0.01 0.11 0.11 0.20 0.00 0.00 0.00 174.94 175.37 1swg s ASN 105 N 1.22 5.72 0.14 3.58 0.01 -0.46 -0.88 114.94 124.27 1swg s ASN 105 Ca -0.04 0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.14 1swg s ASN 105 Cb -0.18 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1swg s ASN 105 CO -0.05 0.06 -0.02 0.42 -1.51 0.00 0.00 177.10 175.99 1swg s THR 106 N 1.07 0.68 0.08 1.60 -4.23 0.91 -1.36 115.64 114.39 1swg s THR 106 Ca 0.06 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1swg s THR 106 Cb -0.14 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1swg s THR 106 CO 0.04 -0.62 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.16 1swg s GLN 107 N -3.89 1.41 0.14 3.99 -0.21 -0.54 -1.66 119.66 118.90 1swg s GLN 107 Ca 0.19 -1.13 0.04 0.00 0.02 0.00 0.00 55.36 54.48 1swg s GLN 107 Cb 0.06 -1.68 -0.04 0.00 1.00 0.00 0.00 33.01 32.35 1swg s GLN 107 CO 0.01 0.41 -0.10 1.67 -2.12 0.00 0.00 175.29 175.16 1swg s TRP 108 N -0.96 1.20 -0.12 0.91 1.48 -0.26 -0.76 118.94 120.44 1swg s TRP 108 Ca 0.10 -0.77 0.01 0.00 -1.06 0.00 0.00 56.10 54.38 1swg s TRP 108 Cb -0.10 -0.62 0.02 0.00 -1.16 0.00 0.00 33.47 31.61 1swg s TRP 108 CO 0.03 0.04 -0.14 -0.51 -4.06 0.00 0.00 176.95 172.31 1swg s LEU 109 N -3.08 1.68 -0.32 -4.66 1.43 -0.11 -2.13 118.68 111.49 1swg s LEU 109 Ca 0.15 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1swg s LEU 109 Cb 0.02 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 45.18 1swg s LEU 109 CO -0.00 -0.02 0.04 -0.22 0.23 0.00 0.00 176.35 176.39 1swg s LEU 110 N 1.20 4.10 -0.20 1.79 2.96 0.18 -0.93 118.68 127.79 1swg s LEU 110 Ca -0.02 -1.26 -0.06 0.00 -0.22 0.00 0.00 54.13 52.57 1swg s LEU 110 Cb -0.14 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1swg s LEU 110 CO -0.05 -0.30 0.03 -0.89 -1.32 0.00 0.00 176.35 173.82 1swg s THR 111 N 1.30 4.31 -0.00 3.68 2.01 0.01 -0.08 115.64 126.86 1swg s THR 111 Ca -0.03 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 1swg s THR 111 Cb -0.20 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1swg s THR 111 CO 0.00 0.43 0.18 -0.44 -0.69 0.00 0.00 174.62 174.10 1swg s SER 112 N 0.82 6.31 0.17 3.53 0.01 0.08 -1.13 113.70 123.50 1swg s SER 112 Ca 0.02 0.32 -0.30 0.00 1.31 0.00 0.00 55.95 57.30 1swg s SER 112 Cb -0.14 -1.97 -0.08 0.00 0.21 0.00 0.00 66.02 64.04 1swg s SER 112 CO 0.02 0.25 1.25 -0.83 0.41 0.00 0.00 173.24 174.35 1swg s GLY 113 N -1.98 2.53 0.11 3.44 0.00 -0.58 -4.81 107.32 106.04 1swg s GLY 113 Ca 0.28 1.01 -0.05 0.00 0.00 0.00 0.00 44.72 45.96 1swg s GLY 113 CO 0.19 1.98 0.12 -0.51 0.00 0.00 0.00 173.10 174.88 1swg s THR 114 N 0.18 0.13 0.78 0.90 -4.23 -1.26 -5.01 115.64 107.12 1swg s THR 114 Ca 0.55 -1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.35 1swg s THR 114 Cb -0.34 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 71.84 1swg s THR 114 CO 0.36 -0.59 1.09 0.42 -0.54 0.00 0.00 174.62 175.36 1swg s THR 115 N -3.96 3.28 0.47 3.99 -4.23 -1.26 -4.88 115.64 109.04 1swg s THR 115 Ca 0.14 0.41 0.13 0.00 -1.18 0.00 0.00 61.69 61.19 1swg s THR 115 Cb 0.06 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 71.04 1swg s THR 115 CO -0.04 -0.54 2.09 -0.33 -0.54 0.00 0.00 174.62 175.26 1swg h GLU 116 N -1.03 0.25 0.00 3.99 4.39 -2.01 -1.59 114.58 118.58 1swg h GLU 116 Ca -0.46 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 1swg h GLU 116 Cb 1.25 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1swg h GLU 116 CO 0.58 0.17 -0.18 0.00 -1.16 0.00 0.00 179.01 178.41 1swg h ALA 117 N 1.86 1.37 -0.26 3.43 0.00 -2.06 -2.74 119.26 120.86 1swg h ALA 117 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1swg h ALA 117 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1swg h ALA 117 CO -0.02 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.55 1swg n ASN 118 N -3.85 2.79 0.26 0.00 3.02 -0.66 -4.59 115.26 112.23 1swg n ASN 118 Ca -0.02 -1.83 0.09 0.00 -0.03 0.00 0.00 54.58 52.79 1swg n ASN 118 Cb 0.28 -0.17 0.65 0.00 -0.61 0.00 0.00 39.78 39.94 1swg n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swg h ALA 119 N 2.86 1.83 -0.20 5.41 0.00 -1.06 -1.62 119.26 126.47 1swg h ALA 119 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1swg h ALA 119 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1swg h ALA 119 CO 0.00 0.06 0.16 0.11 0.00 0.00 0.00 179.25 179.58 1swg h TRP 120 N 0.00 0.00 -0.38 0.00 5.08 -1.81 -1.90 115.95 116.95 1swg h TRP 120 Ca -0.00 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.80 1swg h TRP 120 Cb 0.09 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.15 1swg h TRP 120 CO 0.00 0.00 -0.02 0.36 -1.28 0.00 0.00 178.44 177.50 1swg n LYS 121 N -4.28 2.07 0.21 0.12 2.85 -0.62 -4.69 118.16 113.83 1swg n LYS 121 Ca 0.02 -3.11 0.14 0.00 -1.05 0.00 0.00 58.31 54.31 1swg n LYS 121 Cb 0.30 -1.85 0.38 0.00 -0.65 0.00 0.00 35.03 33.21 1swg n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swg h SER 122 N 1.15 0.00 -3.17 -5.58 4.64 -1.31 -3.46 113.55 105.82 1swg h SER 122 Ca 0.21 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.96 1swg h SER 122 Cb 1.70 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.43 1swg h SER 122 CO 0.40 0.00 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.65 1swg s THR 123 N -3.33 1.36 0.23 2.95 2.01 -1.26 -0.74 115.64 116.87 1swg s THR 123 Ca 0.06 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 1swg s THR 123 Cb 0.08 -1.30 -0.06 0.00 0.01 0.00 0.00 72.50 71.23 1swg s THR 123 CO 0.60 0.42 0.50 -0.76 -0.69 0.00 0.00 174.62 174.69 1swg s LEU 124 N 1.46 4.15 -0.01 4.42 1.43 0.88 -4.90 118.68 126.12 1swg s LEU 124 Ca 0.03 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 1swg s LEU 124 Cb -0.13 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1swg s LEU 124 CO -0.08 -0.10 -0.09 0.54 0.23 0.00 0.00 176.35 176.85 1swg s VAL 125 N -1.90 0.70 0.00 -1.59 0.11 -1.26 -0.64 120.40 115.81 1swg s VAL 125 Ca 0.44 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1swg s VAL 125 Cb -0.11 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 1swg s VAL 125 CO 0.27 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1swg n GLY 126 N 2.89 2.15 3.20 6.54 0.00 -0.91 -4.99 105.19 114.07 1swg n GLY 126 Ca -0.14 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1swg n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swg s HIS 127 N -7.74 -0.43 -0.02 1.61 -3.43 -1.26 -1.10 115.29 102.92 1swg s HIS 127 Ca 0.00 1.00 0.05 0.00 -0.80 0.00 0.00 55.06 55.31 1swg s HIS 127 Cb 0.00 0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 31.29 1swg s HIS 127 CO 0.00 -0.24 -0.17 -0.51 -2.00 0.00 0.00 174.74 171.82 1swg s ASP 128 N 0.81 2.04 -0.12 7.38 1.01 -0.67 -4.98 116.67 122.15 1swg s ASP 128 Ca -0.05 -0.32 0.01 0.00 0.71 0.00 0.00 52.55 52.90 1swg s ASP 128 Cb -0.06 -0.31 -0.01 0.00 1.01 0.00 0.00 42.92 43.55 1swg s ASP 128 CO -0.06 0.20 -0.17 -0.89 0.21 0.00 0.00 175.17 174.46 1swg s THR 129 N -0.30 2.70 -0.06 -1.27 2.01 -1.26 -0.06 115.64 117.39 1swg s THR 129 Ca 0.04 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1swg s THR 129 Cb -0.08 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1swg s THR 129 CO -0.00 0.54 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.95 1swg s PHE 130 N 0.35 2.68 0.15 4.92 0.40 -0.06 -3.54 117.98 122.87 1swg s PHE 130 Ca -0.14 -0.32 0.09 0.00 -0.60 0.00 0.00 56.93 55.97 1swg s PHE 130 Cb -0.17 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 1swg s PHE 130 CO 0.07 0.06 -0.22 0.95 0.70 0.00 0.00 175.22 176.78 1swg s THR 131 N -0.46 1.98 0.22 0.64 -4.23 -0.24 -1.37 115.64 112.19 1swg s THR 131 Ca 0.06 -1.80 -0.30 0.00 -1.18 0.00 0.00 61.69 58.46 1swg s THR 131 Cb -0.12 -1.85 -0.09 0.00 1.34 0.00 0.00 72.50 71.79 1swg s THR 131 CO 0.02 -0.12 0.97 -0.54 -0.54 0.00 0.00 174.62 174.41 1swg s LYS 132 N -2.37 4.79 -0.00 3.99 1.02 -1.26 -0.77 119.74 125.14 1swg s LYS 132 Ca 0.14 1.54 0.19 0.00 0.02 0.00 0.00 55.97 57.86 1swg s LYS 132 Cb -0.08 -3.28 0.55 0.00 -0.52 0.00 0.00 37.83 34.49 1swg s LYS 132 CO 0.06 0.41 1.45 1.55 -0.92 0.00 0.00 175.35 177.91 1swg n VAL 133 N 1.68 0.84 0.00 3.17 3.14 -0.19 -4.92 118.33 122.05 1swg n VAL 133 Ca -0.01 -0.83 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 1swg n VAL 133 Cb 0.47 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.66 1swg n VAL 133 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1swg n GLY 16 N 1.47 0.00 0.16 7.55 0.00 -1.26 -4.71 105.19 108.40 1swg n GLY 16 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 1swg n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1swg h ILE 17 N 0.00 1.38 -2.31 -0.61 2.04 -1.98 -3.44 117.51 112.59 1swg h ILE 17 Ca 0.00 -1.94 -0.57 0.00 1.00 0.00 0.00 64.86 63.35 1swg h ILE 17 Cb 0.00 2.35 0.05 0.00 -0.74 0.00 0.00 36.82 38.48 1swg h ILE 17 CO 0.00 0.58 0.89 0.41 0.00 0.00 0.00 178.15 180.03 1swg n THR 18 N -4.21 0.11 -2.14 -0.27 -1.04 -1.26 -4.81 114.28 100.66 1swg n THR 18 Ca -0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1swg n THR 18 Cb 0.64 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1swg n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swg n GLY 19 N 3.69 -0.07 3.40 3.41 0.00 0.71 -4.99 105.19 111.34 1swg n GLY 19 Ca 0.18 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1swg n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swg s THR 20 N -2.74 3.91 0.24 2.61 2.01 -1.26 -0.29 115.64 120.12 1swg s THR 20 Ca 0.00 -0.31 0.11 0.00 0.31 0.00 0.00 61.69 61.80 1swg s THR 20 Cb 0.00 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1swg s THR 20 CO 0.00 0.39 -0.15 0.26 -0.69 0.00 0.00 174.62 174.43 1swg s TRP 21 N 1.41 2.43 0.05 4.92 0.52 0.19 -1.02 118.94 127.44 1swg s TRP 21 Ca 0.05 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 55.92 1swg s TRP 21 Cb -0.15 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 1swg s TRP 21 CO 0.01 0.61 -0.14 0.71 0.02 0.00 0.00 176.95 178.16 1swg s TYR 22 N -2.13 1.26 0.35 -1.98 1.51 0.05 -0.08 117.35 116.33 1swg s TYR 22 Ca 0.27 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 56.04 1swg s TYR 22 Cb -0.07 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 1swg s TYR 22 CO 0.15 0.04 0.19 0.54 -1.11 0.00 0.00 175.55 175.36 1swg s ASN 23 N -1.25 4.80 0.64 2.29 2.20 -0.85 -1.08 114.94 121.68 1swg s ASN 23 Ca 0.01 -0.75 0.09 0.00 -0.94 0.00 0.00 52.86 51.28 1swg s ASN 23 Cb -0.08 -0.74 0.50 0.00 -2.00 0.00 0.00 41.25 38.93 1swg s ASN 23 CO 0.01 -0.36 1.27 0.06 -2.94 0.00 0.00 177.10 175.14 1swg h GLN 24 N 1.44 0.00 -0.00 3.55 -0.00 -1.91 1.09 115.11 119.28 1swg h GLN 24 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1swg h GLN 24 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 1swg h GLN 24 CO 0.62 0.00 -0.57 1.28 -0.00 0.00 0.00 178.83 180.16 1swg n LEU 25 N -2.57 0.95 0.00 0.06 4.77 -1.26 -4.95 117.00 113.99 1swg n LEU 25 Ca -0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1swg n LEU 25 Cb 0.79 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1swg n LEU 25 CO 0.04 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1swg n GLY 26 N 1.45 0.78 3.76 -0.72 0.00 0.38 -5.04 105.19 105.81 1swg n GLY 26 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1swg n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swg s SER 27 N -2.77 5.99 -0.10 1.61 0.01 -1.25 -4.79 113.70 112.41 1swg s SER 27 Ca 0.00 2.52 0.01 0.00 1.31 0.00 0.00 55.95 59.79 1swg s SER 27 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1swg s SER 27 CO 0.00 -1.06 -0.12 -0.89 0.41 0.00 0.00 173.24 171.58 1swg s THR 28 N -1.40 3.20 -0.28 1.44 2.01 -0.14 -2.01 115.64 118.47 1swg s THR 28 Ca 0.63 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1swg s THR 28 Cb -0.34 -2.31 0.07 0.00 0.01 0.00 0.00 72.50 69.93 1swg s THR 28 CO 0.42 0.55 -0.03 0.12 -0.69 0.00 0.00 174.62 174.99 1swg s PHE 29 N -0.16 3.00 -0.28 4.92 5.36 0.89 -0.70 117.98 131.00 1swg s PHE 29 Ca 0.00 -2.28 -0.10 0.00 -0.96 0.00 0.00 56.93 53.58 1swg s PHE 29 Cb -0.13 -2.07 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1swg s PHE 29 CO 0.03 -0.87 0.17 0.42 -1.46 0.00 0.00 175.22 173.52 1swg s ILE 30 N 1.18 5.09 0.02 3.12 1.09 0.12 0.56 121.20 132.38 1swg s ILE 30 Ca -0.01 0.03 0.02 0.00 -1.10 0.00 0.00 60.65 59.59 1swg s ILE 30 Cb -0.19 -3.45 -0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1swg s ILE 30 CO -0.08 0.23 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.24 1swg s VAL 31 N 1.72 0.45 -0.09 2.92 1.01 0.60 -0.99 120.40 126.02 1swg s VAL 31 Ca 0.07 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1swg s VAL 31 Cb -0.16 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1swg s VAL 31 CO 0.09 -0.11 -0.16 -0.89 0.00 0.00 0.00 175.10 174.03 1swg s THR 32 N -0.68 1.50 -0.46 3.92 2.01 0.06 -0.21 115.64 121.79 1swg s THR 32 Ca -0.04 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 1swg s THR 32 Cb -0.06 -1.35 0.10 0.00 0.01 0.00 0.00 72.50 71.21 1swg s THR 32 CO 0.00 0.44 0.33 0.00 -0.69 0.00 0.00 174.62 174.70 1swg s ALA 33 N 0.71 3.39 0.82 7.40 0.00 -1.26 -1.90 121.76 130.92 1swg s ALA 33 Ca -0.12 -2.38 -0.11 0.00 0.00 0.00 0.00 51.96 49.35 1swg s ALA 33 Cb -0.16 -2.81 0.08 0.00 0.00 0.00 0.00 23.12 20.23 1swg s ALA 33 CO 0.03 -1.82 1.09 0.20 0.00 0.00 0.00 175.76 175.27 1swg s GLY 34 N 2.55 1.66 0.24 0.00 0.00 0.30 -4.91 107.32 107.16 1swg s GLY 34 Ca 0.04 0.17 0.25 0.00 0.00 0.00 0.00 44.72 45.18 1swg s GLY 34 CO 0.01 0.57 1.74 0.00 0.00 0.00 0.00 173.10 175.41 1swg n ALA 35 N -3.67 1.89 1.52 3.20 0.00 -1.26 -2.42 120.51 119.77 1swg n ALA 35 Ca 0.08 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.71 1swg n ALA 35 Cb 0.54 -1.42 0.55 0.00 0.00 0.00 0.00 19.45 19.12 1swg n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1swg n ASP 36 N -2.24 1.29 0.00 0.00 5.75 -1.26 -4.91 116.55 115.18 1swg n ASP 36 Ca 0.03 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 1swg n ASP 36 Cb 0.30 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1swg n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swg n GLY 37 N 1.18 0.69 3.84 6.12 0.00 -1.02 -4.96 105.19 111.04 1swg n GLY 37 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1swg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg s ALA 38 N -2.00 3.48 -0.16 4.61 0.00 -1.26 -0.74 121.76 125.70 1swg s ALA 38 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1swg s ALA 38 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 1swg s ALA 38 CO 0.00 0.41 -0.10 -0.51 0.00 0.00 0.00 175.76 175.55 1swg s LEU 39 N -2.27 2.80 0.01 0.00 1.02 0.35 -0.54 118.68 120.06 1swg s LEU 39 Ca 0.44 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 54.26 1swg s LEU 39 Cb -0.14 -1.66 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 1swg s LEU 39 CO 0.20 0.11 -0.03 0.42 0.02 0.00 0.00 176.35 177.07 1swg s THR 40 N 0.66 0.15 -3.52 5.49 -4.23 -0.80 -0.98 115.64 112.41 1swg s THR 40 Ca -0.05 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1swg s THR 40 Cb -0.15 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.48 1swg s THR 40 CO 0.02 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1swg n GLY 41 N 2.29 -0.54 3.08 3.99 0.00 -1.12 -0.76 105.19 112.13 1swg n GLY 41 Ca -0.18 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 1swg n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swg s THR 42 N -3.38 0.38 -0.01 2.61 -4.23 -0.16 -1.74 115.64 109.11 1swg s THR 42 Ca 0.00 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1swg s THR 42 Cb 0.00 -1.11 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 1swg s THR 42 CO 0.00 -0.74 -0.13 -0.47 -0.54 0.00 0.00 174.62 172.74 1swg s TYR 43 N -2.81 1.17 -0.10 3.99 6.14 0.02 -0.71 117.35 125.05 1swg s TYR 43 Ca -0.00 -0.22 -0.00 0.00 0.64 0.00 0.00 57.07 57.49 1swg s TYR 43 Cb -0.00 -0.75 0.02 0.00 0.42 0.00 0.00 41.96 41.65 1swg s TYR 43 CO -0.05 -0.02 -0.07 -1.21 0.64 0.00 0.00 175.55 174.84 1swg s GLU 44 N -0.30 1.41 0.00 4.97 2.02 0.13 -0.04 118.70 126.89 1swg s GLU 44 Ca 0.05 -0.23 0.20 0.00 0.02 0.00 0.00 54.97 55.01 1swg s GLU 44 Cb -0.05 -1.46 0.16 0.00 0.10 0.00 0.00 34.13 32.88 1swg s GLU 44 CO -0.00 -0.22 1.12 0.45 0.02 0.00 0.00 175.26 176.63