#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxt s SER 2 N 0.00 6.67 -0.22 1.61 1.04 -1.26 -5.02 113.70 116.52 1wxt s SER 2 Ca 0.00 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.19 1wxt s SER 2 Cb 0.00 -2.38 0.11 0.00 0.10 0.00 0.00 66.02 63.85 1wxt s SER 2 CO 0.00 -0.46 0.27 -0.55 0.98 0.00 0.00 173.24 173.48 1wxt s SER 3 N 1.46 1.17 0.00 7.02 0.15 -1.26 -5.11 113.70 117.13 1wxt s SER 3 Ca 0.30 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1wxt s SER 3 Cb -0.15 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1wxt s SER 3 CO 0.09 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1wxt n GLY 4 N 5.33 2.44 3.45 9.45 0.00 -1.26 -5.09 105.19 119.51 1wxt n GLY 4 Ca -0.05 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1wxt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxt s SER 5 N 0.00 6.36 -0.53 1.61 0.01 -1.26 -4.99 113.70 114.90 1wxt s SER 5 Ca 0.00 -1.45 -0.28 0.00 1.31 0.00 0.00 55.95 55.54 1wxt s SER 5 Cb 0.00 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1wxt s SER 5 CO 0.00 -1.28 1.53 -0.55 0.41 0.00 0.00 173.24 173.35 1wxt s SER 6 N 3.71 5.98 -0.15 2.44 0.15 -1.26 -4.96 113.70 119.61 1wxt s SER 6 Ca 0.27 0.44 -0.13 0.00 0.70 0.00 0.00 55.95 57.23 1wxt s SER 6 Cb -0.12 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1wxt s SER 6 CO 0.01 -1.80 0.39 -0.83 1.20 0.00 0.00 173.24 172.21 1wxt s GLY 7 N 5.17 -0.29 -0.00 9.45 0.00 -1.26 -5.15 107.32 115.23 1wxt s GLY 7 Ca 0.58 1.14 -0.18 0.00 0.00 0.00 0.00 44.72 46.26 1wxt s GLY 7 CO 0.26 1.03 0.51 -2.27 0.00 0.00 0.00 173.10 172.63 1wxt s LEU 8 N 0.36 4.44 0.01 0.66 0.20 -1.26 -5.04 118.68 118.05 1wxt s LEU 8 Ca -0.01 1.07 0.06 0.00 0.69 0.00 0.00 54.13 55.94 1wxt s LEU 8 Cb -0.03 -2.78 -0.02 0.00 -0.43 0.00 0.00 46.19 42.93 1wxt s LEU 8 CO -0.01 0.19 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.51 1wxt s LYS 9 N -0.53 1.37 0.04 1.98 -0.14 -1.26 -1.14 119.74 120.06 1wxt s LYS 9 Ca 0.27 -0.76 -0.03 0.00 -1.36 0.00 0.00 55.97 54.09 1wxt s LYS 9 Cb -0.18 -1.39 -0.02 0.00 -1.68 0.00 0.00 37.83 34.56 1wxt s LYS 9 CO 0.15 0.37 0.04 -1.64 -0.76 0.00 0.00 175.35 173.51 1wxt s MET 10 N -0.78 0.53 -0.08 1.68 -1.94 -0.48 -4.36 119.30 113.87 1wxt s MET 10 Ca 0.06 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1wxt s MET 10 Cb -0.08 0.20 -0.03 0.00 2.01 0.00 0.00 34.83 36.94 1wxt s MET 10 CO 0.00 -0.12 -0.09 1.14 -0.01 0.00 0.00 175.02 175.94 1wxt s GLN 11 N -2.71 2.86 0.44 2.03 -2.07 -1.18 -0.08 119.66 118.96 1wxt s GLN 11 Ca -0.04 -0.60 -0.24 0.00 -1.82 0.00 0.00 55.36 52.66 1wxt s GLN 11 Cb -0.01 -2.57 -0.08 0.00 -1.09 0.00 0.00 33.01 29.26 1wxt s GLN 11 CO -0.05 0.55 1.23 0.08 -1.32 0.00 0.00 175.29 175.78 1wxt s VAL 12 N -0.52 2.83 -0.15 3.63 1.01 0.25 -1.31 120.40 126.13 1wxt s VAL 12 Ca 0.07 0.68 -0.08 0.00 0.00 0.00 0.00 61.98 62.66 1wxt s VAL 12 Cb -0.12 -3.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 1wxt s VAL 12 CO 0.02 0.04 -0.20 -0.11 0.00 0.00 0.00 175.10 174.85 1wxt n LEU 13 N -0.22 1.12 -4.29 3.92 7.94 0.19 -0.75 117.00 124.90 1wxt n LEU 13 Ca 0.06 0.19 -0.33 0.00 -1.11 0.00 0.00 56.01 54.82 1wxt n LEU 13 Cb 0.46 -0.46 -0.15 0.00 0.53 0.00 0.00 43.42 43.79 1wxt n LEU 13 CO 0.52 0.30 -0.48 -0.31 -1.11 0.00 0.00 177.39 176.31 1wxt s TYR 14 N -2.29 2.76 0.02 1.96 2.02 -1.26 -4.49 117.35 116.07 1wxt s TYR 14 Ca -0.22 -0.92 -0.35 0.00 -0.37 0.00 0.00 57.07 55.22 1wxt s TYR 14 Cb 0.08 -1.86 -0.13 0.00 -0.40 0.00 0.00 41.96 39.66 1wxt s TYR 14 CO 0.27 -0.39 1.71 -1.91 -1.57 0.00 0.00 175.55 173.67 1wxt n GLU 15 N 3.83 2.04 -4.33 -0.62 2.13 -1.26 -4.59 120.64 117.84 1wxt n GLU 15 Ca -0.19 0.74 -0.23 0.00 0.66 0.00 0.00 57.16 58.14 1wxt n GLU 15 Cb 0.52 -2.53 -0.13 0.00 0.27 0.00 0.00 31.44 29.57 1wxt n GLU 15 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1wxt s PHE 16 N 2.48 1.68 -0.08 4.31 5.36 -0.95 -4.95 117.98 125.83 1wxt s PHE 16 Ca 0.87 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 56.46 1wxt s PHE 16 Cb -0.73 -0.94 -0.01 0.00 -0.34 0.00 0.00 43.02 41.00 1wxt s PHE 16 CO 0.46 0.16 -0.19 -1.21 -1.46 0.00 0.00 175.22 172.98 1wxt s GLU 17 N -1.72 2.82 -0.01 10.12 2.02 -1.26 -1.48 118.70 129.19 1wxt s GLU 17 Ca 0.05 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1wxt s GLU 17 Cb -0.10 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1wxt s GLU 17 CO 0.03 0.37 1.16 0.00 0.02 0.00 0.00 175.26 176.85 1wxt s ALA 18 N -0.11 3.41 -0.17 5.21 0.00 -1.26 -4.91 121.76 123.93 1wxt s ALA 18 Ca -0.03 0.67 0.13 0.00 0.00 0.00 0.00 51.96 52.73 1wxt s ALA 18 Cb -0.14 -3.46 -0.19 0.00 0.00 0.00 0.00 23.12 19.32 1wxt s ALA 18 CO 0.04 -0.57 0.03 0.54 0.00 0.00 0.00 175.76 175.80 1wxt n ARG 19 N 4.59 1.26 -3.21 0.00 1.74 -1.26 -4.89 116.66 114.89 1wxt n ARG 19 Ca 0.09 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.96 1wxt n ARG 19 Cb 0.47 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1wxt n ARG 19 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1wxt s ASN 20 N -5.11 5.97 0.42 0.55 0.01 -1.26 -4.99 114.94 110.53 1wxt s ASN 20 Ca -0.10 0.20 0.29 0.00 -0.71 0.00 0.00 52.86 52.54 1wxt s ASN 20 Cb 0.05 -1.58 1.22 0.00 0.41 0.00 0.00 41.25 41.35 1wxt s ASN 20 CO 0.64 -0.54 1.87 1.55 -1.51 0.00 0.00 177.10 179.11 1wxt h PRO 21 N 0.60 0.00 -0.08 -0.60 0.13 -2.04 -2.33 132.00 127.68 1wxt h PRO 21 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wxt h PRO 21 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wxt h PRO 21 CO 0.57 0.00 0.00 2.89 -0.23 0.00 0.00 178.00 181.23 1wxt n ARG 22 N -2.70 2.35 -2.58 0.86 1.85 -1.26 -4.96 116.66 110.22 1wxt n ARG 22 Ca 0.01 -1.98 -0.22 0.00 -1.00 0.00 0.00 57.85 54.66 1wxt n ARG 22 Cb 0.26 -1.47 0.04 0.00 -1.05 0.00 0.00 32.46 30.25 1wxt n ARG 22 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1wxt s GLU 23 N -1.92 2.49 -0.04 2.89 2.02 -0.88 -2.38 118.70 120.88 1wxt s GLU 23 Ca 0.29 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.55 1wxt s GLU 23 Cb 0.20 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 32.02 1wxt s GLU 23 CO 0.30 -0.79 0.10 -1.17 0.02 0.00 0.00 175.26 173.72 1wxt s LEU 24 N -4.83 0.98 0.44 1.80 2.96 -1.26 -4.63 118.68 114.15 1wxt s LEU 24 Ca 0.58 0.19 -0.23 0.00 -0.22 0.00 0.00 54.13 54.44 1wxt s LEU 24 Cb -0.10 0.20 -0.08 0.00 0.50 0.00 0.00 46.19 46.71 1wxt s LEU 24 CO 0.39 -0.12 1.13 -0.89 -1.32 0.00 0.00 176.35 175.53 1wxt s THR 25 N 0.98 3.32 0.22 3.68 2.01 -1.26 -4.29 115.64 120.29 1wxt s THR 25 Ca -0.08 0.99 -0.12 0.00 0.31 0.00 0.00 61.69 62.80 1wxt s THR 25 Cb -0.10 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1wxt s THR 25 CO -0.04 -0.01 0.42 0.68 -0.69 0.00 0.00 174.62 174.98 1wxt s VAL 26 N -1.59 0.02 0.06 3.82 -7.23 -0.55 -4.94 120.40 109.99 1wxt s VAL 26 Ca 0.62 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1wxt s VAL 26 Cb -0.26 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 1wxt s VAL 26 CO 0.32 -0.09 -0.06 0.68 -0.31 0.00 0.00 175.10 175.64 1wxt s VAL 27 N -4.00 0.49 0.50 1.32 -7.23 -1.26 -2.25 120.40 107.98 1wxt s VAL 27 Ca 0.20 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.68 1wxt s VAL 27 Cb 0.01 -1.08 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 1wxt s VAL 27 CO 0.06 -0.66 1.15 1.67 -0.31 0.00 0.00 175.10 177.00 1wxt n GLN 28 N 0.74 1.47 0.00 4.82 7.27 -1.26 -1.96 117.38 128.46 1wxt n GLN 28 Ca -0.18 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.43 1wxt n GLN 28 Cb 0.58 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.94 1wxt n GLN 28 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wxt n GLY 29 N 1.01 2.30 3.53 1.69 0.00 0.07 -4.95 105.19 108.85 1wxt n GLY 29 Ca 0.10 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1wxt n GLY 29 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wxt n GLU 30 N 0.00 0.69 -4.01 1.61 4.07 -0.83 -4.58 120.64 117.59 1wxt n GLU 30 Ca 0.00 0.27 -0.35 0.00 -0.06 0.00 0.00 57.16 57.02 1wxt n GLU 30 Cb 0.00 -1.89 -0.13 0.00 -0.06 0.00 0.00 31.44 29.36 1wxt n GLU 30 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1wxt s LYS 31 N -2.33 3.53 0.50 5.31 -0.14 -1.26 -0.59 119.74 124.76 1wxt s LYS 31 Ca 0.71 -0.56 0.02 0.00 -1.36 0.00 0.00 55.97 54.78 1wxt s LYS 31 Cb -0.44 -3.07 -0.02 0.00 -1.68 0.00 0.00 37.83 32.62 1wxt s LYS 31 CO 0.52 -0.07 0.01 -0.51 -0.76 0.00 0.00 175.35 174.54 1wxt s LEU 32 N 1.21 2.30 -0.12 3.17 1.43 0.89 -4.90 118.68 122.66 1wxt s LEU 32 Ca 0.03 -1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 51.49 1wxt s LEU 32 Cb -0.15 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.41 1wxt s LEU 32 CO 0.01 -0.84 -0.08 -0.70 0.23 0.00 0.00 176.35 174.97 1wxt s GLU 33 N -3.85 1.57 0.48 1.70 2.12 -1.18 -1.39 118.70 118.15 1wxt s GLU 33 Ca 0.09 -0.27 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 1wxt s GLU 33 Cb 0.02 -1.62 -0.07 0.00 0.26 0.00 0.00 34.13 32.72 1wxt s GLU 33 CO 0.05 -0.27 1.18 0.08 -0.54 0.00 0.00 175.26 175.76 1wxt s VAL 34 N 1.70 2.99 0.00 3.70 1.01 -0.30 -1.65 120.40 127.84 1wxt s VAL 34 Ca 0.05 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1wxt s VAL 34 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wxt s VAL 34 CO -0.08 -0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.17 1wxt n LEU 35 N -0.68 0.14 -3.78 3.92 4.77 0.23 -4.35 117.00 117.24 1wxt n LEU 35 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 1wxt n LEU 35 Cb 0.48 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 1wxt n LEU 35 CO 0.47 -0.12 -0.34 -0.62 -1.33 0.00 0.00 177.39 175.45 1wxt s ASP 36 N -4.92 3.95 -0.53 -1.43 2.15 -1.16 -4.99 116.67 109.74 1wxt s ASP 36 Ca 0.00 -1.54 0.01 0.00 0.43 0.00 0.00 52.55 51.45 1wxt s ASP 36 Cb 0.00 -0.94 0.49 0.00 -0.30 0.00 0.00 42.92 42.17 1wxt s ASP 36 CO 0.00 -0.38 1.82 0.00 -0.17 0.00 0.00 175.17 176.44 1wxt n HIS 37 N 4.80 2.93 -1.98 -5.34 1.44 -1.26 -2.18 115.22 113.63 1wxt n HIS 37 Ca -0.03 -2.58 -0.29 0.00 -2.01 0.00 0.00 57.72 52.81 1wxt n HIS 37 Cb 0.43 -1.09 0.03 0.00 0.12 0.00 0.00 29.99 29.47 1wxt n HIS 37 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1wxt n SER 38 N -0.94 5.81 -3.61 4.39 7.64 -1.26 -4.98 113.62 120.67 1wxt n SER 38 Ca 0.56 -3.76 -0.07 0.00 1.01 0.00 0.00 58.87 56.61 1wxt n SER 38 Cb 0.91 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 1wxt n SER 38 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1wxt s LYS 39 N -3.70 0.35 0.24 1.43 2.36 -1.26 -5.02 119.74 114.14 1wxt s LYS 39 Ca 0.53 0.14 0.08 0.00 -2.55 0.00 0.00 55.97 54.17 1wxt s LYS 39 Cb 0.43 0.17 0.74 0.00 -1.05 0.00 0.00 37.83 38.11 1wxt s LYS 39 CO -0.09 -0.10 1.11 -2.13 1.55 0.00 0.00 175.35 175.69 1wxt n ARG 40 N 0.89 -0.05 -3.73 4.03 3.00 -1.26 -3.71 116.66 115.83 1wxt n ARG 40 Ca -0.07 1.02 -0.37 0.00 -0.00 0.00 0.00 57.85 58.43 1wxt n ARG 40 Cb 0.58 -1.71 -0.11 0.00 0.00 0.00 0.00 32.46 31.21 1wxt n ARG 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1wxt s TRP 41 N -5.35 3.17 0.30 -0.14 0.52 -1.26 -4.13 118.94 112.04 1wxt s TRP 41 Ca -0.08 -0.11 -0.22 0.00 0.02 0.00 0.00 56.10 55.72 1wxt s TRP 41 Cb 0.22 -2.27 -0.09 0.00 -1.15 0.00 0.00 33.47 30.18 1wxt s TRP 41 CO 0.55 -0.18 0.83 -1.58 0.02 0.00 0.00 176.95 176.59 1wxt s TRP 42 N 1.45 3.59 -0.27 -1.98 0.52 -0.05 -4.80 118.94 117.39 1wxt s TRP 42 Ca 0.06 1.54 -0.09 0.00 0.02 0.00 0.00 56.10 57.63 1wxt s TRP 42 Cb -0.15 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.39 1wxt s TRP 42 CO 0.06 0.20 0.13 -1.17 0.02 0.00 0.00 176.95 176.19 1wxt s LEU 43 N -2.28 3.76 0.33 2.99 2.96 -0.93 -1.01 118.68 124.51 1wxt s LEU 43 Ca 0.49 -0.17 0.09 0.00 -0.22 0.00 0.00 54.13 54.32 1wxt s LEU 43 Cb -0.16 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 1wxt s LEU 43 CO 0.20 -0.06 -0.08 0.68 -1.32 0.00 0.00 176.35 175.77 1wxt s VAL 44 N 1.67 2.06 0.13 1.68 -7.23 -1.13 0.78 120.40 118.37 1wxt s VAL 44 Ca 0.06 -2.17 0.07 0.00 -1.81 0.00 0.00 61.98 58.13 1wxt s VAL 44 Cb -0.16 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1wxt s VAL 44 CO 0.07 -0.22 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.72 1wxt s LYS 45 N -3.65 1.13 0.52 4.82 2.20 -0.66 -1.82 119.74 122.28 1wxt s LYS 45 Ca 0.32 -1.28 0.07 0.00 -0.36 0.00 0.00 55.97 54.72 1wxt s LYS 45 Cb 0.03 -1.16 0.07 0.00 -1.51 0.00 0.00 37.83 35.26 1wxt s LYS 45 CO 0.15 0.24 0.60 0.27 -0.36 0.00 0.00 175.35 176.25 1wxt n ASN 46 N 0.57 2.15 -0.14 1.43 6.94 -0.80 -3.11 115.26 122.31 1wxt n ASN 46 Ca -0.16 -2.51 -0.08 0.00 -0.02 0.00 0.00 54.58 51.82 1wxt n ASN 46 Cb 0.56 -0.26 0.07 0.00 -2.36 0.00 0.00 39.78 37.79 1wxt n ASN 46 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1wxt h GLU 47 N 0.00 0.90 -0.58 -3.83 5.08 -1.90 -2.85 114.58 111.40 1wxt h GLU 47 Ca -0.27 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 57.78 1wxt h GLU 47 Cb 1.14 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1wxt h GLU 47 CO 0.40 0.97 0.38 0.00 -1.00 0.00 0.00 179.01 179.76 1wxt h ALA 48 N 1.05 1.63 0.00 3.43 0.00 -2.03 -3.46 119.26 119.88 1wxt h ALA 48 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wxt h ALA 48 Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wxt h ALA 48 CO 0.05 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1wxt n GLY 49 N -1.45 1.04 3.70 0.00 0.00 -1.08 -5.11 105.19 102.29 1wxt n GLY 49 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1wxt n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxt s ARG 50 N 0.00 4.35 -0.11 1.61 0.52 -1.26 -4.80 118.95 119.26 1wxt s ARG 50 Ca 0.00 0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 55.99 1wxt s ARG 50 Cb 0.00 -3.50 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 1wxt s ARG 50 CO 0.00 -0.06 -0.08 -1.54 0.02 0.00 0.00 175.30 173.64 1wxt s SER 51 N 0.93 4.49 0.09 0.23 1.04 -1.26 -1.91 113.70 117.31 1wxt s SER 51 Ca 0.34 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.65 1wxt s SER 51 Cb -0.17 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 1wxt s SER 51 CO 0.14 0.25 -0.08 -0.83 0.98 0.00 0.00 173.24 173.71 1wxt s GLY 52 N -0.12 0.75 -0.13 7.32 0.00 -0.75 -4.76 107.32 109.63 1wxt s GLY 52 Ca 0.01 -1.23 -0.28 0.00 0.00 0.00 0.00 44.72 43.22 1wxt s GLY 52 CO 0.03 -1.32 0.95 -0.19 0.00 0.00 0.00 173.10 172.57 1wxt s TYR 53 N -3.02 3.48 0.04 1.90 2.02 -1.00 -2.82 117.35 117.96 1wxt s TYR 53 Ca 0.07 1.48 0.03 0.00 -0.37 0.00 0.00 57.07 58.28 1wxt s TYR 53 Cb 0.01 -3.13 -0.02 0.00 -0.40 0.00 0.00 41.96 38.42 1wxt s TYR 53 CO -0.03 -0.23 -0.09 0.96 -1.57 0.00 0.00 175.55 174.60 1wxt s ILE 54 N 2.05 0.64 0.25 2.71 -4.36 -0.18 -4.46 121.20 117.84 1wxt s ILE 54 Ca 0.45 -1.02 -0.30 0.00 -0.26 0.00 0.00 60.65 59.52 1wxt s ILE 54 Cb -0.18 -0.67 -0.09 0.00 1.25 0.00 0.00 42.46 42.77 1wxt s ILE 54 CO 0.16 -0.29 1.27 -2.16 0.24 0.00 0.00 174.94 174.16 1wxt s PRO 55 N -1.43 4.42 0.00 0.37 0.04 -1.26 -0.87 135.00 136.27 1wxt s PRO 55 Ca -0.07 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.12 1wxt s PRO 55 Cb -0.09 -3.16 0.48 0.00 0.04 0.00 0.00 34.50 31.77 1wxt s PRO 55 CO 0.01 -0.15 1.19 -1.13 0.04 0.00 0.00 177.00 176.95 1wxt n SER 56 N 1.91 0.00 0.16 6.66 3.41 -1.26 -1.94 113.62 122.56 1wxt n SER 56 Ca 0.03 0.16 0.03 0.00 -0.26 0.00 0.00 58.87 58.83 1wxt n SER 56 Cb 0.43 -0.29 0.23 0.00 -0.26 0.00 0.00 64.21 64.32 1wxt n SER 56 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1wxt h ASN 57 N 0.00 0.00 -0.62 4.04 -1.24 -1.91 -2.96 115.58 112.89 1wxt h ASN 57 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 1wxt h ASN 57 Cb 0.09 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.08 1wxt h ASN 57 CO 0.00 0.48 0.13 2.30 -1.29 0.00 0.00 177.43 179.05 1wxt n ILE 58 N -3.52 2.68 -5.03 2.57 -5.35 -0.82 -4.85 119.36 105.04 1wxt n ILE 58 Ca -0.00 -1.40 -0.28 0.00 -0.27 0.00 0.00 62.75 60.80 1wxt n ILE 58 Cb 0.59 -0.34 -0.16 0.00 -1.74 0.00 0.00 39.64 37.99 1wxt n ILE 58 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wxt s LEU 59 N -2.67 2.05 0.23 7.28 1.43 -1.12 -0.64 118.68 125.24 1wxt s LEU 59 Ca 0.51 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1wxt s LEU 59 Cb 0.40 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 1wxt s LEU 59 CO 0.14 0.26 -0.15 -1.61 0.23 0.00 0.00 176.35 175.21 1wxt s GLU 60 N -0.56 1.42 -1.14 1.70 0.41 -0.43 -4.90 118.70 115.21 1wxt s GLU 60 Ca 0.08 -1.64 -0.23 0.00 -0.41 0.00 0.00 54.97 52.77 1wxt s GLU 60 Cb -0.08 -1.27 -0.08 0.00 -1.78 0.00 0.00 34.13 30.91 1wxt s GLU 60 CO -0.01 0.21 1.94 -1.25 -0.49 0.00 0.00 175.26 175.66 1wxt s PRO 61 N -3.62 2.51 0.28 0.39 0.04 -1.26 -3.09 135.00 130.25 1wxt s PRO 61 Ca 0.25 -1.03 0.02 0.00 0.04 0.00 0.00 61.00 60.28 1wxt s PRO 61 Cb -0.02 -5.22 0.65 0.00 0.04 0.00 0.00 34.50 29.96 1wxt s PRO 61 CO 0.09 -3.88 1.74 1.25 0.04 0.00 0.00 177.00 176.24 1wxt h LEU 62 N 17.75 0.51-10.54 -3.56 6.46 -1.90 -3.42 115.31 120.61 1wxt h LEU 62 Ca 0.20 0.12 -0.44 0.00 -0.12 0.00 0.00 57.88 57.63 1wxt h LEU 62 Cb 0.95 0.04 0.05 0.00 -0.73 0.00 0.00 40.66 40.97 1wxt h LEU 62 CO 1.22 0.15 -0.00 -0.94 -0.62 0.00 0.00 178.44 178.25 1wxt s SER 63 N -5.33 5.10 0.45 1.25 1.04 -1.26 -5.03 113.70 109.93 1wxt s SER 63 Ca -0.12 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.02 1wxt s SER 63 Cb 0.24 -0.71 -0.11 0.00 0.10 0.00 0.00 66.02 65.54 1wxt s SER 63 CO 0.78 -1.28 0.64 0.61 0.98 0.00 0.00 173.24 174.97 1wxt n GLY 64 N -2.44 -1.22 0.08 7.32 0.00 -1.26 -4.84 105.19 102.83 1wxt n GLY 64 Ca 0.09 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1wxt n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wxt n PRO 65 N 0.34 0.12 -2.59 1.61 -0.04 -1.26 -4.75 135.00 128.43 1wxt n PRO 65 Ca 0.11 0.36 -0.41 0.00 -0.04 0.00 0.00 63.50 63.52 1wxt n PRO 65 Cb 0.41 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.10 1wxt n PRO 65 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wxt s SER 66 N -3.75 7.37 0.66 3.54 0.01 -1.26 -5.03 113.70 115.24 1wxt s SER 66 Ca 0.05 2.03 -0.12 0.00 1.31 0.00 0.00 55.95 59.21 1wxt s SER 66 Cb 0.09 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1wxt s SER 66 CO 0.34 -0.13 1.05 -0.44 0.41 0.00 0.00 173.24 174.47 1wxt s SER 67 N -0.30 5.57 0.00 2.44 0.01 -1.26 -5.15 113.70 115.00 1wxt s SER 67 Ca 0.47 1.65 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1wxt s SER 67 Cb -0.28 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1wxt s SER 67 CO 0.34 -1.32 0.00 0.61 0.41 0.00 0.00 173.24 173.28