#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 4.05 -0.37 1.61 0.01 -1.26 -5.06 113.70 112.69 1wxt s SER 2 Ca 0.00 -1.52 -0.43 0.00 1.31 0.00 0.00 55.95 55.31 1wxt s SER 2 Cb 0.00 0.13 -0.18 0.00 0.21 0.00 0.00 66.02 66.19 1wxt s SER 2 CO 0.00 -0.69 1.67 -0.24 0.41 0.00 0.00 173.24 174.39 1wxt n SER 3 N -1.16 1.83 -3.85 2.44 2.88 -1.26 -4.87 113.62 109.63 1wxt n SER 3 Ca -0.13 1.13 -0.37 0.00 -1.33 0.00 0.00 58.87 58.16 1wxt n SER 3 Cb 0.67 -1.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.08 1wxt n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxt n GLY 4 N 4.05 4.91 3.64 0.46 0.00 -1.26 -4.96 105.19 112.03 1wxt n GLY 4 Ca 0.28 -2.69 -0.06 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.68 -0.79 -0.06 1.61 0.01 -1.26 -5.16 113.70 106.37 1wxt s SER 5 Ca 0.33 1.29 -0.01 0.00 1.31 0.00 0.00 55.95 58.87 1wxt s SER 5 Cb 0.06 1.32 0.03 0.00 0.21 0.00 0.00 66.02 67.64 1wxt s SER 5 CO 0.04 -0.21 -0.00 -0.44 0.41 0.00 0.00 173.24 173.04 1wxt s SER 6 N 1.39 1.43 0.16 2.44 0.01 -1.26 -5.14 113.70 112.73 1wxt s SER 6 Ca -0.08 -0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.00 1wxt s SER 6 Cb -0.05 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.76 1wxt s SER 6 CO -0.16 -0.18 0.30 -0.83 0.41 0.00 0.00 173.24 172.78 1wxt s GLY 7 N 1.81 0.39 0.52 3.44 0.00 -1.26 -5.16 107.32 107.07 1wxt s GLY 7 Ca 0.02 -0.80 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 1wxt s GLY 7 CO -0.04 -0.78 1.00 -2.27 0.00 0.00 0.00 173.10 171.01 1wxt s LEU 8 N -2.95 3.63 0.00 0.66 2.96 -1.26 -4.95 118.68 116.77 1wxt s LEU 8 Ca 0.15 1.65 0.02 0.00 -0.22 0.00 0.00 54.13 55.74 1wxt s LEU 8 Cb 0.03 -4.52 -0.01 0.00 0.50 0.00 0.00 46.19 42.19 1wxt s LEU 8 CO -0.01 -0.71 -0.07 -0.54 -1.32 0.00 0.00 176.35 173.70 1wxt s LYS 9 N -3.96 0.53 0.04 1.98 1.02 -1.26 -0.89 119.74 117.20 1wxt s LYS 9 Ca 0.61 -0.33 0.01 0.00 0.02 0.00 0.00 55.97 56.28 1wxt s LYS 9 Cb -0.11 -0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 36.68 1wxt s LYS 9 CO 0.31 0.13 -0.05 -1.64 -0.92 0.00 0.00 175.35 173.17 1wxt s MET 10 N -0.40 0.48 0.13 1.68 -1.94 -0.80 -4.51 119.30 113.94 1wxt s MET 10 Ca 0.01 -0.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 1wxt s MET 10 Cb -0.04 -0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.69 1wxt s MET 10 CO -0.00 -0.01 0.20 1.14 -0.01 0.00 0.00 175.02 176.34 1wxt s GLN 11 N -1.97 3.19 0.23 2.03 -2.07 -1.03 -1.40 119.66 118.65 1wxt s GLN 11 Ca -0.09 -0.68 -0.16 0.00 -1.82 0.00 0.00 55.36 52.61 1wxt s GLN 11 Cb -0.07 -2.84 -0.08 0.00 -1.09 0.00 0.00 33.01 28.93 1wxt s GLN 11 CO -0.02 0.53 0.67 0.08 -1.32 0.00 0.00 175.29 175.23 1wxt s VAL 12 N -1.67 4.70 0.00 3.63 1.01 0.88 -2.15 120.40 126.79 1wxt s VAL 12 Ca 0.33 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1wxt s VAL 12 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1wxt s VAL 12 CO 0.26 0.08 0.00 0.18 0.00 0.00 0.00 175.10 175.62 1wxt n LEU 13 N 0.36 0.00 -3.75 3.92 4.77 -0.58 -0.66 117.00 121.06 1wxt n LEU 13 Ca -0.01 -0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 55.61 1wxt n LEU 13 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1wxt n LEU 13 CO 0.43 0.00 -0.17 -0.31 -1.33 0.00 0.00 177.39 176.00 1wxt s TYR 14 N -1.53 -0.24 0.02 -1.77 1.51 -1.26 -4.78 117.35 109.30 1wxt s TYR 14 Ca 0.00 0.60 -0.30 0.00 -1.01 0.00 0.00 57.07 56.36 1wxt s TYR 14 Cb 0.00 -0.00 -0.07 0.00 -0.11 0.00 0.00 41.96 41.77 1wxt s TYR 14 CO 0.00 -0.18 1.64 -2.00 -1.11 0.00 0.00 175.55 173.90 1wxt s GLU 15 N 1.01 4.20 -0.15 -0.62 2.12 -1.26 -4.48 118.70 119.51 1wxt s GLU 15 Ca -0.07 2.27 -0.01 0.00 0.36 0.00 0.00 54.97 57.51 1wxt s GLU 15 Cb -0.09 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 1wxt s GLU 15 CO -0.06 -0.76 -0.12 0.12 -0.54 0.00 0.00 175.26 173.90 1wxt s PHE 16 N 3.14 2.84 -0.48 5.30 5.36 -0.87 -4.96 117.98 128.31 1wxt s PHE 16 Ca 0.74 -0.78 -0.19 0.00 -0.96 0.00 0.00 56.93 55.73 1wxt s PHE 16 Cb -0.37 -1.90 0.05 0.00 -0.34 0.00 0.00 43.02 40.45 1wxt s PHE 16 CO 0.31 -0.33 0.60 -2.00 -1.46 0.00 0.00 175.22 172.35 1wxt s GLU 17 N 0.65 3.15 -0.13 10.12 2.12 -1.26 -2.21 118.70 131.15 1wxt s GLU 17 Ca -0.06 -0.77 -0.29 0.00 0.36 0.00 0.00 54.97 54.21 1wxt s GLU 17 Cb -0.15 -4.05 -0.06 0.00 0.26 0.00 0.00 34.13 30.13 1wxt s GLU 17 CO 0.02 -1.13 1.97 0.00 -0.54 0.00 0.00 175.26 175.58 1wxt s ALA 18 N 2.59 3.18 -0.29 6.30 0.00 -1.26 -4.86 121.76 127.42 1wxt s ALA 18 Ca 0.16 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.09 1wxt s ALA 18 Cb -0.18 -3.93 0.46 0.00 0.00 0.00 0.00 23.12 19.47 1wxt s ALA 18 CO 0.14 -2.13 1.35 2.89 0.00 0.00 0.00 175.76 178.00 1wxt n ARG 19 N 8.02 2.36 -3.75 0.00 1.85 -1.26 -4.86 116.66 119.02 1wxt n ARG 19 Ca 0.23 -3.53 -0.12 0.00 -1.00 0.00 0.00 57.85 53.43 1wxt n ARG 19 Cb 0.44 -1.93 -0.08 0.00 -1.05 0.00 0.00 32.46 29.84 1wxt n ARG 19 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1wxt s ASN 20 N -3.03 -0.14 0.00 2.89 0.01 -1.26 -5.02 114.94 108.39 1wxt s ASN 20 Ca 0.46 -0.12 0.11 0.00 -0.71 0.00 0.00 52.86 52.60 1wxt s ASN 20 Cb 0.40 0.35 0.66 0.00 0.41 0.00 0.00 41.25 43.07 1wxt s ASN 20 CO -0.01 -0.58 1.09 -0.81 -1.51 0.00 0.00 177.10 175.28 1wxt n PRO 21 N 0.74 0.49 -0.79 -0.60 -0.04 -1.26 -2.18 135.00 131.35 1wxt n PRO 21 Ca -0.19 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 1wxt n PRO 21 Cb 0.59 -1.35 0.10 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.85 0.77 -4.20 0.54 -4.01 -1.26 -5.06 116.66 102.59 1wxt n ARG 22 Ca 0.08 -2.41 -0.12 0.00 -1.04 0.00 0.00 57.85 54.36 1wxt n ARG 22 Cb 0.04 -0.90 -0.10 0.00 -3.04 0.00 0.00 32.46 28.46 1wxt n ARG 22 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 1wxt s GLU 23 N -1.62 0.91 -0.00 2.89 2.02 -0.93 -1.74 118.70 120.23 1wxt s GLU 23 Ca 0.30 -1.35 0.06 0.00 0.02 0.00 0.00 54.97 54.00 1wxt s GLU 23 Cb 0.31 -0.37 -0.02 0.00 0.10 0.00 0.00 34.13 34.14 1wxt s GLU 23 CO -0.08 0.02 -0.20 -1.17 0.02 0.00 0.00 175.26 173.85 1wxt s LEU 24 N -3.02 2.07 -0.23 1.80 2.96 -1.26 -4.76 118.68 116.24 1wxt s LEU 24 Ca 0.13 -0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 1wxt s LEU 24 Cb 0.03 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.71 1wxt s LEU 24 CO -0.03 0.23 1.03 -0.89 -1.32 0.00 0.00 176.35 175.37 1wxt s THR 25 N -0.55 4.69 0.29 3.68 2.01 -1.26 -4.29 115.64 120.21 1wxt s THR 25 Ca 0.08 2.01 0.09 0.00 0.31 0.00 0.00 61.69 64.18 1wxt s THR 25 Cb -0.08 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.07 1wxt s THR 25 CO -0.00 -0.17 -0.13 0.68 -0.69 0.00 0.00 174.62 174.31 1wxt s VAL 26 N 3.16 2.14 0.25 3.82 -7.23 -0.94 -4.96 120.40 116.63 1wxt s VAL 26 Ca 0.44 -2.25 0.09 0.00 -1.81 0.00 0.00 61.98 58.45 1wxt s VAL 26 Cb -0.15 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 1wxt s VAL 26 CO 0.06 -0.33 -0.16 0.68 -0.31 0.00 0.00 175.10 175.05 1wxt s VAL 27 N -2.70 2.04 0.47 1.32 -7.23 -1.26 -2.04 120.40 111.00 1wxt s VAL 27 Ca 0.30 -2.28 -0.24 0.00 -1.81 0.00 0.00 61.98 57.95 1wxt s VAL 27 Cb 0.00 -2.20 -0.07 0.00 0.56 0.00 0.00 36.38 34.67 1wxt s VAL 27 CO 0.14 -0.48 1.30 -1.58 -0.31 0.00 0.00 175.10 174.17 1wxt s GLN 28 N -3.60 3.59 0.00 4.82 0.74 -1.26 -2.79 119.66 121.16 1wxt s GLN 28 Ca 0.26 2.11 0.00 0.00 0.05 0.00 0.00 55.36 57.78 1wxt s GLN 28 Cb -0.02 -2.48 0.00 0.00 1.10 0.00 0.00 33.01 31.62 1wxt s GLN 28 CO 0.11 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.47 1wxt n GLY 29 N 0.62 1.67 3.64 2.59 0.00 0.17 -4.95 105.19 108.92 1wxt n GLY 29 Ca 0.07 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 1.44 -4.31 1.61 2.13 -1.12 -4.39 120.64 116.01 1wxt n GLU 30 Ca 0.00 0.52 -0.31 0.00 0.66 0.00 0.00 57.16 58.03 1wxt n GLU 30 Cb 0.00 -2.16 -0.10 0.00 0.27 0.00 0.00 31.44 29.45 1wxt n GLU 30 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wxt s LYS 31 N -2.20 2.47 0.26 5.31 1.02 -1.26 -0.09 119.74 125.25 1wxt s LYS 31 Ca 0.65 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.85 1wxt s LYS 31 Cb -0.52 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 1wxt s LYS 31 CO 0.55 0.57 0.20 -0.51 -0.92 0.00 0.00 175.35 175.25 1wxt s LEU 32 N -1.83 1.39 -0.19 3.17 1.43 -0.49 -4.96 118.68 117.18 1wxt s LEU 32 Ca 0.20 -1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 51.72 1wxt s LEU 32 Cb -0.11 0.50 -0.02 0.00 0.03 0.00 0.00 46.19 46.58 1wxt s LEU 32 CO 0.12 -0.95 -0.02 -0.70 0.23 0.00 0.00 176.35 175.03 1wxt s GLU 33 N -3.84 3.56 0.08 1.70 2.12 -1.24 -1.90 118.70 119.19 1wxt s GLU 33 Ca 0.39 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 1wxt s GLU 33 Cb 0.05 -3.02 -0.06 0.00 0.26 0.00 0.00 34.13 31.36 1wxt s GLU 33 CO 0.19 0.01 1.13 0.08 -0.54 0.00 0.00 175.26 176.13 1wxt s VAL 34 N 0.97 4.14 -0.14 3.70 1.01 -0.07 -2.90 120.40 127.11 1wxt s VAL 34 Ca 0.01 1.62 -0.05 0.00 0.00 0.00 0.00 61.98 63.56 1wxt s VAL 34 Cb -0.14 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 1wxt s VAL 34 CO 0.01 0.17 -0.17 0.18 0.00 0.00 0.00 175.10 175.30 1wxt n LEU 35 N 3.45 1.59 -3.72 3.92 4.77 0.56 -4.19 117.00 123.38 1wxt n LEU 35 Ca 0.06 0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.85 1wxt n LEU 35 Cb 0.47 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 1wxt n LEU 35 CO 0.54 0.43 -0.29 -0.62 -1.33 0.00 0.00 177.39 176.12 1wxt s ASP 36 N -6.03 3.84 -0.62 -1.43 -1.08 -1.23 -4.97 116.67 105.15 1wxt s ASP 36 Ca -0.20 -2.14 -0.00 0.00 -0.52 0.00 0.00 52.55 49.69 1wxt s ASP 36 Cb 0.07 -0.95 0.44 0.00 -1.46 0.00 0.00 42.92 41.01 1wxt s ASP 36 CO 0.27 -0.34 1.84 0.00 0.52 0.00 0.00 175.17 177.46 1wxt n HIS 37 N 4.19 3.12 -0.07 -5.34 1.44 -1.26 -1.99 115.22 115.30 1wxt n HIS 37 Ca 0.04 -2.78 -0.08 0.00 -2.01 0.00 0.00 57.72 52.89 1wxt n HIS 37 Cb 0.38 -1.15 -0.03 0.00 0.12 0.00 0.00 29.99 29.32 1wxt n HIS 37 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1wxt n SER 38 N -0.80 1.84 -4.64 4.39 3.41 -1.26 -5.02 113.62 111.53 1wxt n SER 38 Ca 0.57 0.31 -0.29 0.00 -0.26 0.00 0.00 58.87 59.19 1wxt n SER 38 Cb 0.65 -0.69 0.18 0.00 -0.26 0.00 0.00 64.21 64.09 1wxt n SER 38 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wxt s LYS 39 N -2.80 0.45 0.20 4.33 3.01 -1.26 -4.90 119.74 118.77 1wxt s LYS 39 Ca -0.25 0.83 -0.22 0.00 -1.01 0.00 0.00 55.97 55.32 1wxt s LYS 39 Cb 0.04 -1.71 0.14 0.00 -1.01 0.00 0.00 37.83 35.28 1wxt s LYS 39 CO 0.38 -2.80 1.55 -0.09 0.51 0.00 0.00 175.35 174.90 1wxt h ARG 40 N -1.96 -0.03 -6.64 1.68 2.43 -1.96 -3.39 114.38 104.52 1wxt h ARG 40 Ca -0.53 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.13 1wxt h ARG 40 Cb 1.31 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1wxt h ARG 40 CO 0.53 -0.02 0.09 -1.58 -1.51 0.00 0.00 179.97 177.48 1wxt s TRP 41 N -5.82 3.50 -0.13 2.20 0.52 -1.26 -4.44 118.94 113.51 1wxt s TRP 41 Ca -0.13 1.29 -0.05 0.00 0.02 0.00 0.00 56.10 57.22 1wxt s TRP 41 Cb 0.17 -2.56 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 1wxt s TRP 41 CO 0.68 0.21 0.06 -1.58 0.02 0.00 0.00 176.95 176.35 1wxt s TRP 42 N -1.76 3.31 0.00 -1.98 0.52 0.46 -4.65 118.94 114.84 1wxt s TRP 42 Ca 0.49 0.23 -0.18 0.00 0.02 0.00 0.00 56.10 56.66 1wxt s TRP 42 Cb -0.13 -1.94 -0.06 0.00 -1.15 0.00 0.00 33.47 30.19 1wxt s TRP 42 CO 0.19 0.42 0.50 -1.17 0.02 0.00 0.00 176.95 176.91 1wxt s LEU 43 N -0.44 4.45 0.17 2.99 2.96 -0.84 -1.11 118.68 126.85 1wxt s LEU 43 Ca 0.10 1.06 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 1wxt s LEU 43 Cb -0.12 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1wxt s LEU 43 CO 0.02 0.21 0.11 0.68 -1.32 0.00 0.00 176.35 176.05 1wxt s VAL 44 N -0.62 0.04 0.02 1.68 -7.23 -1.16 -0.33 120.40 112.81 1wxt s VAL 44 Ca 0.27 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 1wxt s VAL 44 Cb -0.18 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1wxt s VAL 44 CO 0.15 -0.18 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.95 1wxt s LYS 45 N -4.11 0.41 0.25 4.82 2.20 -1.14 -1.63 119.74 120.53 1wxt s LYS 45 Ca 0.33 -0.55 0.07 0.00 -0.36 0.00 0.00 55.97 55.46 1wxt s LYS 45 Cb 0.07 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1wxt s LYS 45 CO 0.08 0.03 0.16 0.54 -0.36 0.00 0.00 175.35 175.81 1wxt s ASN 46 N -1.14 5.39 0.64 1.43 2.20 0.67 -3.65 114.94 120.47 1wxt s ASN 46 Ca -0.08 -0.30 0.17 0.00 -0.94 0.00 0.00 52.86 51.71 1wxt s ASN 46 Cb -0.08 -1.33 0.79 0.00 -2.00 0.00 0.00 41.25 38.64 1wxt s ASN 46 CO -0.00 -0.03 1.41 -0.08 -2.94 0.00 0.00 177.10 175.46 1wxt h GLU 47 N 1.60 0.00 -0.40 3.55 4.81 -1.93 1.32 114.58 123.53 1wxt h GLU 47 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wxt h GLU 47 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1wxt h GLU 47 CO 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.89 1wxt n ALA 48 N -1.87 2.50 -0.80 2.92 0.00 -1.26 -4.82 120.51 117.19 1wxt n ALA 48 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1wxt n ALA 48 Cb 0.92 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 0.31 0.11 3.75 0.00 0.00 0.45 -4.94 105.19 104.87 1wxt n GLY 49 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.30 4.31 -0.03 1.61 0.52 -1.21 -4.83 118.95 118.01 1wxt s ARG 50 Ca 0.00 0.61 0.07 0.00 -0.52 0.00 0.00 55.73 55.89 1wxt s ARG 50 Cb 0.00 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 1wxt s ARG 50 CO 0.00 0.27 -0.24 -1.54 0.02 0.00 0.00 175.30 173.82 1wxt s SER 51 N 0.18 2.83 0.02 0.23 1.04 -1.26 -0.24 113.70 116.51 1wxt s SER 51 Ca 0.29 -0.45 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 1wxt s SER 51 Cb -0.17 -0.50 -0.00 0.00 0.10 0.00 0.00 66.02 65.45 1wxt s SER 51 CO 0.14 0.27 0.15 -0.83 0.98 0.00 0.00 173.24 173.94 1wxt s GLY 52 N -0.38 0.06 -0.16 7.32 0.00 -0.65 -4.73 107.32 108.78 1wxt s GLY 52 Ca 0.04 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.23 1wxt s GLY 52 CO 0.01 -0.39 1.33 -0.19 0.00 0.00 0.00 173.10 173.86 1wxt s TYR 53 N -1.88 2.69 0.05 1.90 2.02 -0.71 -2.98 117.35 118.44 1wxt s TYR 53 Ca -0.11 0.87 0.06 0.00 -0.37 0.00 0.00 57.07 57.53 1wxt s TYR 53 Cb -0.05 -3.61 -0.03 0.00 -0.40 0.00 0.00 41.96 37.88 1wxt s TYR 53 CO -0.01 -2.03 -0.18 0.96 -1.57 0.00 0.00 175.55 172.73 1wxt s ILE 54 N 3.71 1.40 0.03 2.71 -4.36 -0.26 -4.39 121.20 120.04 1wxt s ILE 54 Ca 0.58 -1.16 -0.30 0.00 -0.26 0.00 0.00 60.65 59.50 1wxt s ILE 54 Cb -0.23 -1.25 -0.06 0.00 1.25 0.00 0.00 42.46 42.17 1wxt s ILE 54 CO 0.18 0.06 1.42 -2.16 0.24 0.00 0.00 174.94 174.68 1wxt s PRO 55 N -1.29 4.28 0.26 0.37 0.04 -1.26 -0.40 135.00 137.01 1wxt s PRO 55 Ca 0.04 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.27 1wxt s PRO 55 Cb -0.09 -3.51 0.89 0.00 0.04 0.00 0.00 34.50 31.83 1wxt s PRO 55 CO 0.02 -0.56 1.47 0.45 0.04 0.00 0.00 177.00 178.42 1wxt n SER 56 N 5.08 0.42 0.28 6.66 2.88 -1.26 -1.25 113.62 126.43 1wxt n SER 56 Ca 0.13 0.67 0.13 0.00 -1.33 0.00 0.00 58.87 58.48 1wxt n SER 56 Cb 0.43 -0.71 0.82 0.00 -0.75 0.00 0.00 64.21 64.00 1wxt n SER 56 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1wxt h ASN 57 N 0.00 0.00 -0.72 -3.46 4.21 -1.93 -0.26 115.58 113.43 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 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1wxt h ASN 57 CO 0.00 0.05 0.00 2.30 -1.29 0.00 0.00 177.43 178.49 1wxt n ILE 58 N -3.82 1.17 -4.77 2.81 -5.35 -0.38 -4.92 119.36 104.09 1wxt n ILE 58 Ca -0.03 -1.04 -0.31 0.00 -0.27 0.00 0.00 62.75 61.10 1wxt n ILE 58 Cb 0.15 0.42 -0.13 0.00 -1.74 0.00 0.00 39.64 38.34 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 -1.17 2.60 0.09 7.28 1.43 -0.11 -1.53 118.68 127.26 1wxt s LEU 59 Ca 0.49 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1wxt s LEU 59 Cb 0.27 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 1wxt s LEU 59 CO 0.31 0.28 0.14 -1.61 0.23 0.00 0.00 176.35 175.71 1wxt s GLU 60 N -1.19 0.84 -0.90 1.70 2.02 -0.91 -4.97 118.70 115.29 1wxt s GLU 60 Ca 0.13 -1.09 -0.25 0.00 0.02 0.00 0.00 54.97 53.79 1wxt s GLU 60 Cb -0.10 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.38 1wxt s GLU 60 CO 0.04 -0.25 1.95 -1.25 0.02 0.00 0.00 175.26 175.76 1wxt s PRO 61 N -3.91 2.55 0.84 0.39 0.04 -1.26 -2.46 135.00 131.19 1wxt s PRO 61 Ca 0.09 -0.27 -0.11 0.00 0.04 0.00 0.00 61.00 60.74 1wxt s PRO 61 Cb 0.06 -5.05 0.10 0.00 0.04 0.00 0.00 34.50 29.64 1wxt s PRO 61 CO -0.08 -3.37 1.09 -0.48 0.04 0.00 0.00 177.00 174.20 1wxt s LEU 62 N 10.07 2.67 -0.13 -3.56 0.05 -1.26 -4.98 118.68 121.53 1wxt s LEU 62 Ca 0.70 1.70 -0.04 0.00 0.05 0.00 0.00 54.13 56.54 1wxt s LEU 62 Cb -0.07 -4.25 0.05 0.00 -2.05 0.00 0.00 46.19 39.87 1wxt s LEU 62 CO -0.00 -2.38 0.07 -0.55 -0.55 0.00 0.00 176.35 172.94 1wxt s SER 63 N -3.35 2.07 0.43 1.48 0.15 -1.26 -5.00 113.70 108.21 1wxt s SER 63 Ca 0.62 -0.43 -0.23 0.00 0.70 0.00 0.00 55.95 56.61 1wxt s SER 63 Cb -0.18 -0.27 -0.11 0.00 -1.71 0.00 0.00 66.02 63.74 1wxt s SER 63 CO 0.57 -0.31 0.74 0.61 1.20 0.00 0.00 173.24 176.04 1wxt n GLY 64 N 5.25 -0.96 0.16 9.45 0.00 -1.26 -4.88 105.19 112.94 1wxt n GLY 64 Ca -0.06 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1wxt n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxt h PRO 65 N 1.05 0.01 -6.39 1.61 0.13 -2.03 -3.44 132.00 122.94 1wxt h PRO 65 Ca -0.42 -0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 1wxt h PRO 65 Cb 1.38 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.54 1wxt h PRO 65 CO 0.53 0.49 1.06 0.43 -0.23 0.00 0.00 178.00 180.29 1wxt n SER 66 N -3.96 3.62 -4.85 1.44 7.64 -1.26 -4.96 113.62 111.29 1wxt n SER 66 Ca -0.02 0.99 -0.32 0.00 1.01 0.00 0.00 58.87 60.54 1wxt n SER 66 Cb 0.51 -1.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.22 1wxt n SER 66 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wxt s SER 67 N 3.20 6.66 0.00 6.43 1.04 -1.26 -5.21 113.70 124.57 1wxt s SER 67 Ca 0.87 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1wxt s SER 67 Cb -0.60 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.11 1wxt s SER 67 CO 0.44 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.89