#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxt n SER 2 N 0.00 2.73 -4.31 1.61 3.41 -1.26 -5.06 113.62 110.75 1wxt n SER 2 Ca 0.00 -2.68 -0.33 0.00 -0.26 0.00 0.00 58.87 55.61 1wxt n SER 2 Cb 0.00 -0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 63.36 1wxt n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wxt s SER 3 N -3.68 3.69 0.00 4.04 0.15 -1.26 -4.34 113.70 112.30 1wxt s SER 3 Ca 0.35 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1wxt s SER 3 Cb 0.36 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1wxt s SER 3 CO -0.02 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1wxt n GLY 4 N 3.62 3.24 0.11 9.45 0.00 -1.26 -4.84 105.19 115.50 1wxt n GLY 4 Ca -0.19 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 1wxt n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wxt h SER 5 N 0.00 0.16 -2.11 1.61 0.87 -1.99 -3.47 113.55 108.62 1wxt h SER 5 Ca 0.00 -0.71 -0.63 0.00 -1.23 0.00 0.00 61.79 59.22 1wxt h SER 5 Cb 0.00 -0.05 0.09 0.00 -0.44 0.00 0.00 62.40 62.00 1wxt h SER 5 CO 0.00 1.54 0.19 -0.24 -0.53 0.00 0.00 176.83 177.79 1wxt n SER 6 N -4.17 1.23 -3.62 6.23 2.88 -1.26 -4.96 113.62 109.96 1wxt n SER 6 Ca -0.29 1.16 -0.05 0.00 -1.33 0.00 0.00 58.87 58.36 1wxt n SER 6 Cb 0.78 -1.24 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 1wxt n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wxt s GLY 7 N -0.25 -0.07 0.63 0.46 0.00 -1.26 -5.01 107.32 101.81 1wxt s GLY 7 Ca 0.67 2.42 -0.19 0.00 0.00 0.00 0.00 44.72 47.62 1wxt s GLY 7 CO 0.55 1.00 1.29 -2.27 0.00 0.00 0.00 173.10 173.68 1wxt s LEU 8 N -1.21 3.63 -0.07 0.66 2.96 -1.26 -4.91 118.68 118.47 1wxt s LEU 8 Ca 0.06 2.62 0.02 0.00 -0.22 0.00 0.00 54.13 56.61 1wxt s LEU 8 Cb -0.01 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 42.13 1wxt s LEU 8 CO -0.05 -1.89 -0.11 -0.54 -1.32 0.00 0.00 176.35 172.44 1wxt s LYS 9 N -3.30 1.63 0.26 1.98 -0.14 -1.26 -2.01 119.74 116.90 1wxt s LYS 9 Ca 0.80 -0.38 0.02 0.00 -1.36 0.00 0.00 55.97 55.06 1wxt s LYS 9 Cb -0.37 -1.38 -0.05 0.00 -1.68 0.00 0.00 37.83 34.34 1wxt s LYS 9 CO 0.40 -0.01 0.05 -1.64 -0.76 0.00 0.00 175.35 173.40 1wxt s MET 10 N 0.77 1.43 0.12 1.68 -1.94 -0.73 -4.07 119.30 116.56 1wxt s MET 10 Ca -0.13 -1.76 0.09 0.00 -1.71 0.00 0.00 55.69 52.18 1wxt s MET 10 Cb -0.15 -0.50 -0.04 0.00 2.01 0.00 0.00 34.83 36.15 1wxt s MET 10 CO 0.02 -0.21 -0.23 1.14 -0.01 0.00 0.00 175.02 175.74 1wxt s GLN 11 N -3.95 1.24 0.02 2.03 -2.07 -1.12 -1.83 119.66 113.97 1wxt s GLN 11 Ca 0.34 -1.26 -0.19 0.00 -1.82 0.00 0.00 55.36 52.44 1wxt s GLN 11 Cb 0.07 -1.56 -0.06 0.00 -1.09 0.00 0.00 33.01 30.37 1wxt s GLN 11 CO 0.12 0.36 0.54 0.08 -1.32 0.00 0.00 175.29 175.07 1wxt s VAL 12 N -1.22 4.89 -0.12 3.63 1.01 0.05 -1.79 120.40 126.86 1wxt s VAL 12 Ca 0.10 1.14 0.13 0.00 0.00 0.00 0.00 61.98 63.34 1wxt s VAL 12 Cb -0.10 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 32.23 1wxt s VAL 12 CO 0.05 0.49 0.10 0.18 0.00 0.00 0.00 175.10 175.92 1wxt n LEU 13 N 2.28 0.00 -4.19 3.92 7.99 -0.06 0.15 117.00 127.09 1wxt n LEU 13 Ca -0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.75 1wxt n LEU 13 Cb 0.51 0.28 -0.11 0.00 -0.11 0.00 0.00 43.42 43.99 1wxt n LEU 13 CO 0.42 0.28 -0.43 -0.31 -1.51 0.00 0.00 177.39 175.84 1wxt s TYR 14 N -2.46 1.15 -0.21 -1.77 1.51 -1.26 -4.63 117.35 109.68 1wxt s TYR 14 Ca -0.07 -0.61 -0.22 0.00 -1.01 0.00 0.00 57.07 55.17 1wxt s TYR 14 Cb 0.05 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.26 1wxt s TYR 14 CO 0.57 0.04 0.71 -2.00 -1.11 0.00 0.00 175.55 173.76 1wxt s GLU 15 N -2.62 4.20 -0.44 -0.62 2.12 -1.26 -4.17 118.70 115.91 1wxt s GLU 15 Ca 0.05 0.74 -0.03 0.00 0.36 0.00 0.00 54.97 56.10 1wxt s GLU 15 Cb -0.04 -3.60 0.12 0.00 0.26 0.00 0.00 34.13 30.86 1wxt s GLU 15 CO 0.01 -0.35 0.24 0.12 -0.54 0.00 0.00 175.26 174.74 1wxt s PHE 16 N 2.26 3.56 -0.79 5.30 5.36 -1.09 -5.00 117.98 127.58 1wxt s PHE 16 Ca 0.31 -2.47 -0.25 0.00 -0.96 0.00 0.00 56.93 53.56 1wxt s PHE 16 Cb -0.16 -3.22 -0.05 0.00 -0.34 0.00 0.00 43.02 39.25 1wxt s PHE 16 CO 0.10 -0.95 2.01 -2.00 -1.46 0.00 0.00 175.22 172.91 1wxt s GLU 17 N 0.95 2.43 0.21 10.12 2.12 -1.26 -3.52 118.70 129.75 1wxt s GLU 17 Ca 0.10 0.12 -0.31 0.00 0.36 0.00 0.00 54.97 55.24 1wxt s GLU 17 Cb -0.22 -4.84 -0.15 0.00 0.26 0.00 0.00 34.13 29.18 1wxt s GLU 17 CO -0.04 -3.35 1.07 0.00 -0.54 0.00 0.00 175.26 172.40 1wxt n ALA 18 N 14.37 -0.76 -0.03 6.30 0.00 -1.26 -4.90 120.51 134.22 1wxt n ALA 18 Ca 0.36 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 54.20 1wxt n ALA 18 Cb 0.48 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 1wxt n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wxt n ARG 19 N 1.37 2.43 -2.83 0.00 1.74 -1.26 -4.91 116.66 113.20 1wxt n ARG 19 Ca 0.13 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.91 1wxt n ARG 19 Cb 0.27 -1.15 -0.04 0.00 -1.02 0.00 0.00 32.46 30.52 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 -3.93 6.62 0.16 0.55 0.01 -1.26 -4.96 114.94 112.14 1wxt s ASN 20 Ca -0.04 1.28 0.20 0.00 -0.71 0.00 0.00 52.86 53.59 1wxt s ASN 20 Cb 0.02 -2.38 0.84 0.00 0.41 0.00 0.00 41.25 40.14 1wxt s ASN 20 CO 0.22 -0.39 1.61 -0.81 -1.51 0.00 0.00 177.10 176.23 1wxt n PRO 21 N -1.09 0.12 -0.04 -0.60 -0.04 -1.26 -1.95 135.00 130.14 1wxt n PRO 21 Ca 0.04 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1wxt n PRO 21 Cb 0.54 -1.74 0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1wxt n PRO 21 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wxt n ARG 22 N -1.97 2.02 -4.03 0.54 1.85 -1.26 -4.96 116.66 108.85 1wxt n ARG 22 Ca 0.03 -1.84 -0.25 0.00 -1.00 0.00 0.00 57.85 54.79 1wxt n ARG 22 Cb 0.20 -1.42 -0.04 0.00 -1.05 0.00 0.00 32.46 30.16 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 -1.68 3.13 -0.03 2.89 2.02 -0.82 -3.02 118.70 121.19 1wxt s GLU 23 Ca 0.27 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.50 1wxt s GLU 23 Cb 0.18 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 1wxt s GLU 23 CO 0.27 0.47 -0.21 -1.17 0.02 0.00 0.00 175.26 174.63 1wxt s LEU 24 N -3.42 2.32 0.03 1.80 2.96 -1.26 -4.80 118.68 116.31 1wxt s LEU 24 Ca 0.33 -0.37 -0.28 0.00 -0.22 0.00 0.00 54.13 53.59 1wxt s LEU 24 Cb -0.10 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1wxt s LEU 24 CO 0.26 0.33 0.90 -0.89 -1.32 0.00 0.00 176.35 175.63 1wxt s THR 25 N -0.67 4.77 0.12 3.68 2.01 -1.26 -4.44 115.64 119.84 1wxt s THR 25 Ca 0.11 1.90 0.03 0.00 0.31 0.00 0.00 61.69 64.04 1wxt s THR 25 Cb -0.10 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1wxt s THR 25 CO -0.00 0.25 -0.08 0.68 -0.69 0.00 0.00 174.62 174.78 1wxt s VAL 26 N 0.51 0.91 0.25 3.82 -7.23 -1.23 -4.98 120.40 112.44 1wxt s VAL 26 Ca 0.46 -1.96 0.09 0.00 -1.81 0.00 0.00 61.98 58.76 1wxt s VAL 26 Cb -0.21 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 1wxt s VAL 26 CO 0.26 -0.80 -0.16 0.68 -0.31 0.00 0.00 175.10 174.78 1wxt s VAL 27 N -3.40 2.04 0.90 1.32 -7.23 -1.26 -2.66 120.40 110.11 1wxt s VAL 27 Ca 0.13 -2.28 -0.10 0.00 -1.81 0.00 0.00 61.98 57.92 1wxt s VAL 27 Cb 0.03 -2.20 0.14 0.00 0.56 0.00 0.00 36.38 34.91 1wxt s VAL 27 CO -0.02 -0.48 1.15 -1.58 -0.31 0.00 0.00 175.10 173.86 1wxt s GLN 28 N -3.60 1.10 -1.34 4.82 0.74 -1.26 -3.00 119.66 117.12 1wxt s GLN 28 Ca 0.26 1.55 -0.04 0.00 0.05 0.00 0.00 55.36 57.18 1wxt s GLN 28 Cb -0.02 -1.74 0.02 0.00 1.10 0.00 0.00 33.01 32.38 1wxt s GLN 28 CO 0.11 -2.57 0.28 0.41 -0.55 0.00 0.00 175.29 172.97 1wxt n GLY 29 N 0.16 -0.50 3.76 2.59 0.00 0.12 -4.93 105.19 106.39 1wxt n GLY 29 Ca 0.12 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1wxt n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wxt s GLU 30 N -5.46 2.79 -0.32 1.61 2.12 -1.16 -4.90 118.70 113.37 1wxt s GLU 30 Ca 0.18 -0.84 -0.06 0.00 0.36 0.00 0.00 54.97 54.61 1wxt s GLU 30 Cb -0.09 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.71 1wxt s GLU 30 CO 0.23 0.51 0.09 0.15 -0.54 0.00 0.00 175.26 175.70 1wxt s LYS 31 N -2.76 2.77 0.27 4.30 1.02 -1.26 -0.77 119.74 123.31 1wxt s LYS 31 Ca 0.29 -1.07 0.09 0.00 0.02 0.00 0.00 55.97 55.30 1wxt s LYS 31 Cb -0.11 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1wxt s LYS 31 CO 0.22 -0.59 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.42 1wxt s LEU 32 N 1.43 2.57 -0.09 3.17 1.43 -0.76 -4.97 118.68 121.46 1wxt s LEU 32 Ca -0.00 -1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 51.98 1wxt s LEU 32 Cb -0.19 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1wxt s LEU 32 CO 0.02 -0.17 -0.02 -0.70 0.23 0.00 0.00 176.35 175.71 1wxt s GLU 33 N -3.63 2.99 0.17 1.70 2.12 -1.24 -1.77 118.70 119.03 1wxt s GLU 33 Ca 0.28 -0.46 -0.21 0.00 0.36 0.00 0.00 54.97 54.94 1wxt s GLU 33 Cb -0.00 -2.75 -0.08 0.00 0.26 0.00 0.00 34.13 31.57 1wxt s GLU 33 CO 0.12 0.64 0.71 0.08 -0.54 0.00 0.00 175.26 176.27 1wxt s VAL 34 N -0.72 4.54 0.10 3.70 1.01 -0.85 -2.26 120.40 125.91 1wxt s VAL 34 Ca 0.11 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1wxt s VAL 34 Cb -0.11 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1wxt s VAL 34 CO 0.02 0.38 0.00 0.18 0.00 0.00 0.00 175.10 175.68 1wxt n LEU 35 N 1.21 0.42 -3.85 3.92 4.77 0.15 -4.31 117.00 119.32 1wxt n LEU 35 Ca -0.05 0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.79 1wxt n LEU 35 Cb 0.50 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1wxt n LEU 35 CO 0.44 -0.52 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.17 1wxt s ASP 36 N -5.40 4.08 -0.21 -1.43 2.15 -1.08 -4.90 116.67 109.87 1wxt s ASP 36 Ca 0.00 -3.03 0.15 0.00 0.43 0.00 0.00 52.55 50.11 1wxt s ASP 36 Cb 0.00 -1.40 0.62 0.00 -0.30 0.00 0.00 42.92 41.83 1wxt s ASP 36 CO 0.00 -0.22 1.53 0.00 -0.17 0.00 0.00 175.17 176.32 1wxt n HIS 37 N 3.06 1.33 0.16 -5.34 1.44 -1.26 -0.74 115.22 113.86 1wxt n HIS 37 Ca 0.09 -0.89 0.04 0.00 -2.01 0.00 0.00 57.72 54.95 1wxt n HIS 37 Cb 0.34 -0.40 0.12 0.00 0.12 0.00 0.00 29.99 30.17 1wxt n HIS 37 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wxt h SER 38 N 2.38 0.00 -1.50 4.39 0.87 -1.90 -3.46 113.55 114.33 1wxt h SER 38 Ca 0.02 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.11 1wxt h SER 38 Cb 1.65 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.59 1wxt h SER 38 CO 0.33 0.45 -0.35 -0.54 -0.53 0.00 0.00 176.83 176.19 1wxt s LYS 39 N -3.13 2.59 0.07 2.24 1.02 -1.26 -5.03 119.74 116.23 1wxt s LYS 39 Ca 0.03 -1.48 -0.13 0.00 0.02 0.00 0.00 55.97 54.41 1wxt s LYS 39 Cb 0.08 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 1wxt s LYS 39 CO 0.72 -0.21 1.21 -2.13 -0.92 0.00 0.00 175.35 174.02 1wxt n ARG 40 N -1.61 -0.19 -2.71 1.68 0.63 -1.26 -4.17 116.66 109.03 1wxt n ARG 40 Ca 0.04 1.20 -0.42 0.00 -0.92 0.00 0.00 57.85 57.75 1wxt n ARG 40 Cb 0.61 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 31.72 1wxt n ARG 40 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wxt s TRP 41 N -4.07 3.56 -0.04 -0.14 0.52 -1.26 -4.42 118.94 113.09 1wxt s TRP 41 Ca -0.05 1.61 -0.23 0.00 0.02 0.00 0.00 56.10 57.45 1wxt s TRP 41 Cb 0.05 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.17 1wxt s TRP 41 CO 0.26 -0.16 0.68 -1.58 0.02 0.00 0.00 176.95 176.18 1wxt s TRP 42 N 1.69 3.63 -0.19 -1.98 0.52 -0.41 -4.75 118.94 117.46 1wxt s TRP 42 Ca 0.49 1.27 -0.21 0.00 0.02 0.00 0.00 56.10 57.67 1wxt s TRP 42 Cb -0.19 -2.76 -0.03 0.00 -1.15 0.00 0.00 33.47 29.35 1wxt s TRP 42 CO 0.21 0.18 0.62 -1.17 0.02 0.00 0.00 176.95 176.81 1wxt s LEU 43 N 0.43 4.16 0.43 2.99 2.96 0.08 -1.70 118.68 128.02 1wxt s LEU 43 Ca 0.36 0.85 0.04 0.00 -0.22 0.00 0.00 54.13 55.16 1wxt s LEU 43 Cb -0.18 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 1wxt s LEU 43 CO 0.18 -0.25 0.04 0.68 -1.32 0.00 0.00 176.35 175.68 1wxt s VAL 44 N 1.78 1.35 0.11 1.68 -7.23 -0.78 0.32 120.40 117.62 1wxt s VAL 44 Ca 0.29 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1wxt s VAL 44 Cb -0.16 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1wxt s VAL 44 CO 0.11 0.00 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.04 1wxt s LYS 45 N -3.80 0.91 0.35 4.82 2.20 -0.96 -1.72 119.74 121.55 1wxt s LYS 45 Ca 0.24 -1.22 0.03 0.00 -0.36 0.00 0.00 55.97 54.65 1wxt s LYS 45 Cb 0.06 -0.59 0.03 0.00 -1.51 0.00 0.00 37.83 35.81 1wxt s LYS 45 CO 0.12 0.09 0.21 0.27 -0.36 0.00 0.00 175.35 175.69 1wxt n ASN 46 N 0.41 2.30 0.28 1.43 0.23 0.16 -3.67 115.26 116.41 1wxt n ASN 46 Ca -0.15 -2.28 0.17 0.00 -0.53 0.00 0.00 54.58 51.79 1wxt n ASN 46 Cb 0.58 0.03 0.71 0.00 -2.08 0.00 0.00 39.78 39.02 1wxt n ASN 46 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wxt h GLU 47 N 0.00 0.00 -0.88 -3.83 4.39 -1.93 -2.61 114.58 109.72 1wxt h GLU 47 Ca -0.24 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.32 1wxt h GLU 47 Cb 0.83 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.40 1wxt h GLU 47 CO 0.38 0.00 0.18 0.00 -1.16 0.00 0.00 179.01 178.40 1wxt n ALA 48 N -2.08 3.73 -0.91 3.43 0.00 -1.26 -4.84 120.51 118.58 1wxt n ALA 48 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1wxt n ALA 48 Cb 0.29 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1wxt n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxt n GLY 49 N -0.02 0.00 3.75 0.00 0.00 -0.98 -4.93 105.19 103.01 1wxt n GLY 49 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.82 4.54 -0.05 1.61 1.81 -1.26 -4.81 118.95 118.96 1wxt s ARG 50 Ca 0.00 1.13 0.03 0.00 -1.72 0.00 0.00 55.73 55.17 1wxt s ARG 50 Cb 0.00 -3.33 0.01 0.00 -0.45 0.00 0.00 34.95 31.17 1wxt s ARG 50 CO 0.00 0.36 -0.12 -1.54 -0.68 0.00 0.00 175.30 173.33 1wxt s SER 51 N -0.38 1.60 0.30 0.23 1.04 -1.26 0.40 113.70 115.63 1wxt s SER 51 Ca 0.38 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 1wxt s SER 51 Cb -0.22 -0.59 -0.02 0.00 0.10 0.00 0.00 66.02 65.30 1wxt s SER 51 CO 0.25 0.06 0.34 -0.83 0.98 0.00 0.00 173.24 174.04 1wxt s GLY 52 N 0.41 1.61 -0.06 7.32 0.00 -0.70 -4.75 107.32 111.15 1wxt s GLY 52 Ca -0.09 -1.64 -0.16 0.00 0.00 0.00 0.00 44.72 42.83 1wxt s GLY 52 CO 0.02 -1.18 0.42 -0.19 0.00 0.00 0.00 173.10 172.17 1wxt s TYR 53 N -3.53 3.61 0.01 1.90 2.02 -1.17 -1.87 117.35 118.32 1wxt s TYR 53 Ca 0.34 0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 57.94 1wxt s TYR 53 Cb 0.02 -2.40 -0.01 0.00 -0.40 0.00 0.00 41.96 39.17 1wxt s TYR 53 CO 0.19 0.41 -0.00 0.96 -1.57 0.00 0.00 175.55 175.54 1wxt s ILE 54 N -0.23 0.08 -0.14 2.71 -4.36 -0.69 -4.19 121.20 114.38 1wxt s ILE 54 Ca 0.24 -0.66 -0.29 0.00 -0.26 0.00 0.00 60.65 59.67 1wxt s ILE 54 Cb -0.16 -0.22 -0.04 0.00 1.25 0.00 0.00 42.46 43.30 1wxt s ILE 54 CO 0.11 -0.36 1.55 -2.16 0.24 0.00 0.00 174.94 174.32 1wxt s PRO 55 N -1.08 4.05 0.57 0.37 0.04 -1.26 -1.28 135.00 136.40 1wxt s PRO 55 Ca -0.12 1.88 0.20 0.00 0.04 0.00 0.00 61.00 62.99 1wxt s PRO 55 Cb -0.07 -3.96 1.07 0.00 0.04 0.00 0.00 34.50 31.58 1wxt s PRO 55 CO -0.00 -0.98 1.56 1.03 0.04 0.00 0.00 177.00 178.65 1wxt h SER 56 N 9.69 0.00 -0.63 6.66 0.87 -1.90 0.12 113.55 128.35 1wxt h SER 56 Ca -0.34 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.28 1wxt h SER 56 Cb 1.15 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.07 1wxt h SER 56 CO 0.98 0.00 0.42 0.78 -0.53 0.00 0.00 176.83 178.47 1wxt h ASN 57 N 0.00 0.55 -0.34 6.23 4.21 -1.94 0.16 115.58 124.45 1wxt h ASN 57 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1wxt h ASN 57 Cb 0.90 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.99 1wxt h ASN 57 CO 0.00 0.36 0.00 2.30 -1.29 0.00 0.00 177.43 178.80 1wxt n ILE 58 N -4.48 0.45 -4.56 2.81 -5.35 0.42 -4.86 119.36 103.79 1wxt n ILE 58 Ca 0.09 -0.48 -0.33 0.00 -0.27 0.00 0.00 62.75 61.76 1wxt n ILE 58 Cb 0.23 0.28 -0.11 0.00 -1.74 0.00 0.00 39.64 38.30 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 -1.10 3.14 0.12 7.28 1.43 0.55 -0.88 118.68 129.22 1wxt s LEU 59 Ca 0.26 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1wxt s LEU 59 Cb 0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1wxt s LEU 59 CO 0.19 0.32 -0.05 -1.61 0.23 0.00 0.00 176.35 175.43 1wxt s GLU 60 N -1.10 0.92 -0.70 1.70 2.02 -0.74 -4.95 118.70 115.84 1wxt s GLU 60 Ca 0.15 -1.40 -0.26 0.00 0.02 0.00 0.00 54.97 53.48 1wxt s GLU 60 Cb -0.11 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.86 1wxt s GLU 60 CO 0.04 -0.05 1.89 -1.25 0.02 0.00 0.00 175.26 175.91 1wxt s PRO 61 N -3.86 2.60 -0.03 0.39 0.04 -1.26 -2.81 135.00 130.07 1wxt s PRO 61 Ca 0.16 0.32 -0.24 0.00 0.04 0.00 0.00 61.00 61.28 1wxt s PRO 61 Cb 0.05 -4.61 -0.21 0.00 0.04 0.00 0.00 34.50 29.78 1wxt s PRO 61 CO -0.02 -2.94 1.12 1.25 0.04 0.00 0.00 177.00 176.44 1wxt h LEU 62 N 16.91 0.23 -8.46 -3.56 5.85 -1.90 -3.46 115.31 120.92 1wxt h LEU 62 Ca -0.15 -0.69 -0.58 0.00 0.84 0.00 0.00 57.88 57.31 1wxt h LEU 62 Cb 1.11 -0.07 -0.28 0.00 0.37 0.00 0.00 40.66 41.79 1wxt h LEU 62 CO 1.22 0.88 -0.84 -0.55 -0.34 0.00 0.00 178.44 178.81 1wxt s SER 63 N -6.22 2.36 -0.08 1.25 0.15 -1.26 -5.05 113.70 104.85 1wxt s SER 63 Ca -0.15 -0.43 -0.22 0.00 0.70 0.00 0.00 55.95 55.84 1wxt s SER 63 Cb 0.02 -0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1wxt s SER 63 CO 0.74 0.20 0.52 -0.83 1.20 0.00 0.00 173.24 175.07 1wxt s GLY 64 N -0.79 -0.39 0.13 9.45 0.00 -1.26 -4.97 107.32 109.49 1wxt s GLY 64 Ca 0.07 1.06 -0.12 0.00 0.00 0.00 0.00 44.72 45.73 1wxt s GLY 64 CO 0.00 0.79 1.46 -0.56 0.00 0.00 0.00 173.10 174.79 1wxt h PRO 65 N 3.90 0.89 -6.61 2.90 0.13 -2.03 -3.45 132.00 127.73 1wxt h PRO 65 Ca -0.28 -0.47 -0.50 0.00 -0.87 0.00 0.00 66.00 63.88 1wxt h PRO 65 Cb 1.16 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1wxt h PRO 65 CO 0.33 1.12 -0.09 0.45 -0.23 0.00 0.00 178.00 179.58 1wxt s SER 66 N -6.77 6.38 0.10 1.44 0.15 -1.26 -5.06 113.70 108.68 1wxt s SER 66 Ca -0.11 0.71 -0.30 0.00 0.70 0.00 0.00 55.95 56.95 1wxt s SER 66 Cb 0.11 -2.15 -0.06 0.00 -1.71 0.00 0.00 66.02 62.21 1wxt s SER 66 CO 0.87 -0.31 0.99 -0.94 1.20 0.00 0.00 173.24 175.05 1wxt s SER 67 N -3.58 7.44 0.00 5.45 1.04 -1.26 -5.17 113.70 117.63 1wxt s SER 67 Ca 0.44 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.69 1wxt s SER 67 Cb -0.10 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1wxt s SER 67 CO 0.34 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.06