#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 0.05 -4.38 1.61 3.41 -1.26 -3.35 113.62 109.69 1wxt n SER 2 Ca 0.00 0.97 -0.45 0.00 -0.26 0.00 0.00 58.87 59.13 1wxt n SER 2 Cb 0.00 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 1wxt n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wxt s SER 3 N -3.98 6.18 0.00 4.04 1.04 -1.26 -4.90 113.70 114.82 1wxt s SER 3 Ca -0.05 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.00 1wxt s SER 3 Cb 0.25 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 64.06 1wxt s SER 3 CO 0.77 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1wxt n GLY 4 N 5.28 -0.24 3.91 7.32 0.00 -1.21 -5.14 105.19 115.10 1wxt n GLY 4 Ca -0.09 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 1wxt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wxt s SER 5 N -4.00 5.83 0.67 1.61 1.04 -1.26 -5.05 113.70 112.54 1wxt s SER 5 Ca 0.00 0.90 -0.15 0.00 0.48 0.00 0.00 55.95 57.18 1wxt s SER 5 Cb 0.00 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.16 1wxt s SER 5 CO 0.00 -0.94 1.14 -0.94 0.98 0.00 0.00 173.24 173.48 1wxt s SER 6 N -4.24 4.89 0.01 7.02 1.04 -1.26 -5.02 113.70 116.14 1wxt s SER 6 Ca 0.53 2.13 0.00 0.00 0.48 0.00 0.00 55.95 59.08 1wxt s SER 6 Cb -0.11 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1wxt s SER 6 CO 0.47 -1.79 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1wxt n GLY 7 N -0.17 1.82 3.54 7.32 0.00 -1.26 -5.09 105.19 111.34 1wxt n GLY 7 Ca 0.11 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 1wxt n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wxt s LEU 8 N 0.00 -0.43 -0.15 0.99 2.96 -1.25 -5.03 118.68 115.77 1wxt s LEU 8 Ca 0.00 1.25 -0.01 0.00 -0.22 0.00 0.00 54.13 55.16 1wxt s LEU 8 Cb 0.00 2.19 -0.01 0.00 0.50 0.00 0.00 46.19 48.87 1wxt s LEU 8 CO 0.00 -0.24 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.13 1wxt s LYS 9 N 0.26 3.37 0.24 1.98 -0.14 -1.26 -0.10 119.74 124.10 1wxt s LYS 9 Ca -0.01 -0.68 0.01 0.00 -1.36 0.00 0.00 55.97 53.94 1wxt s LYS 9 Cb -0.04 -2.69 -0.05 0.00 -1.68 0.00 0.00 37.83 33.36 1wxt s LYS 9 CO 0.01 0.13 0.08 -1.64 -0.76 0.00 0.00 175.35 173.17 1wxt s MET 10 N 0.57 1.36 0.18 1.68 -1.94 -0.90 -3.75 119.30 116.50 1wxt s MET 10 Ca -0.07 -1.72 0.10 0.00 -1.71 0.00 0.00 55.69 52.28 1wxt s MET 10 Cb -0.15 -0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.37 1wxt s MET 10 CO 0.03 -0.26 -0.21 1.14 -0.01 0.00 0.00 175.02 175.71 1wxt s GLN 11 N -4.01 1.39 -0.02 2.03 -2.07 -0.67 -1.61 119.66 114.71 1wxt s GLN 11 Ca 0.35 -1.46 -0.24 0.00 -1.82 0.00 0.00 55.36 52.19 1wxt s GLN 11 Cb 0.07 -1.60 -0.04 0.00 -1.09 0.00 0.00 33.01 30.35 1wxt s GLN 11 CO 0.12 0.34 0.74 0.08 -1.32 0.00 0.00 175.29 175.25 1wxt s VAL 12 N -1.81 4.91 -0.12 3.63 1.01 0.60 -0.11 120.40 128.49 1wxt s VAL 12 Ca 0.18 1.56 0.16 0.00 0.00 0.00 0.00 61.98 63.88 1wxt s VAL 12 Cb -0.07 -4.09 -0.23 0.00 0.00 0.00 0.00 36.38 31.99 1wxt s VAL 12 CO 0.08 0.29 0.43 -0.11 0.00 0.00 0.00 175.10 175.80 1wxt n LEU 13 N 3.37 0.45 -3.79 3.92 7.94 0.21 -0.91 117.00 128.18 1wxt n LEU 13 Ca -0.01 0.21 -0.13 0.00 -1.11 0.00 0.00 56.01 54.97 1wxt n LEU 13 Cb 0.51 0.28 -0.11 0.00 0.53 0.00 0.00 43.42 44.63 1wxt n LEU 13 CO 0.47 0.36 -0.07 -0.31 -1.11 0.00 0.00 177.39 176.73 1wxt s TYR 14 N -2.68 -0.26 0.77 1.96 2.02 -1.25 -4.77 117.35 113.13 1wxt s TYR 14 Ca -0.07 0.62 -0.14 0.00 -0.37 0.00 0.00 57.07 57.11 1wxt s TYR 14 Cb 0.08 0.09 0.06 0.00 -0.40 0.00 0.00 41.96 41.79 1wxt s TYR 14 CO 0.83 -0.17 1.20 -1.21 -1.57 0.00 0.00 175.55 174.63 1wxt s GLU 15 N -0.07 1.89 -0.18 -0.62 2.02 -1.26 -4.52 118.70 115.96 1wxt s GLU 15 Ca -0.02 1.73 -0.11 0.00 0.02 0.00 0.00 54.97 56.60 1wxt s GLU 15 Cb -0.02 -1.81 0.06 0.00 0.10 0.00 0.00 34.13 32.46 1wxt s GLU 15 CO 0.01 -2.02 0.44 0.12 0.02 0.00 0.00 175.26 173.83 1wxt s PHE 16 N -2.10 -0.63 -0.54 1.61 5.36 -0.80 -4.95 117.98 115.92 1wxt s PHE 16 Ca 0.73 1.36 -0.16 0.00 -0.96 0.00 0.00 56.93 57.90 1wxt s PHE 16 Cb -0.28 0.29 0.13 0.00 -0.34 0.00 0.00 43.02 42.82 1wxt s PHE 16 CO 0.48 -0.35 0.50 -2.00 -1.46 0.00 0.00 175.22 172.40 1wxt s GLU 17 N 1.26 2.99 -0.21 10.12 2.12 -1.26 -2.07 118.70 131.64 1wxt s GLU 17 Ca -0.08 -1.73 -0.34 0.00 0.36 0.00 0.00 54.97 53.18 1wxt s GLU 17 Cb -0.07 -4.29 -0.11 0.00 0.26 0.00 0.00 34.13 29.91 1wxt s GLU 17 CO -0.12 -1.33 2.01 0.00 -0.54 0.00 0.00 175.26 175.29 1wxt n ALA 18 N 5.22 0.94 -0.04 6.30 0.00 -1.26 -4.84 120.51 126.84 1wxt n ALA 18 Ca -0.13 0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1wxt n ALA 18 Cb 0.40 -2.54 -0.14 0.00 0.00 0.00 0.00 19.45 17.17 1wxt n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wxt n ARG 19 N 7.28 0.65 -2.83 0.00 1.85 -1.26 -4.82 116.66 117.53 1wxt n ARG 19 Ca 0.30 0.23 -0.31 0.00 -1.00 0.00 0.00 57.85 57.06 1wxt n ARG 19 Cb 0.28 -1.73 -0.04 0.00 -1.05 0.00 0.00 32.46 29.91 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 -6.00 6.63 0.16 2.89 0.01 -1.26 -4.96 114.94 112.41 1wxt s ASN 20 Ca -0.07 1.30 0.20 0.00 -0.71 0.00 0.00 52.86 53.58 1wxt s ASN 20 Cb 0.08 -2.39 0.84 0.00 0.41 0.00 0.00 41.25 40.18 1wxt s ASN 20 CO 0.82 -0.39 1.61 -0.81 -1.51 0.00 0.00 177.10 176.82 1wxt n PRO 21 N -1.08 0.12 0.00 -0.60 -0.04 -1.26 -1.97 135.00 130.17 1wxt n PRO 21 Ca 0.04 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 1wxt n PRO 21 Cb 0.54 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.95 1.44 -2.63 0.54 1.85 -1.26 -4.97 116.66 109.68 1wxt n ARG 22 Ca 0.03 -1.12 -0.23 0.00 -1.00 0.00 0.00 57.85 55.53 1wxt n ARG 22 Cb 0.20 -1.44 0.10 0.00 -1.05 0.00 0.00 32.46 30.27 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 -2.31 1.77 -0.05 2.89 2.02 -0.83 -3.07 118.70 119.13 1wxt s GLU 23 Ca 0.19 -1.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.00 1wxt s GLU 23 Cb 0.18 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1wxt s GLU 23 CO 0.50 -1.36 0.10 -1.17 0.02 0.00 0.00 175.26 173.36 1wxt s LEU 24 N -5.08 1.06 0.05 1.80 2.96 -1.26 -4.58 118.68 113.62 1wxt s LEU 24 Ca 0.65 0.21 -0.31 0.00 -0.22 0.00 0.00 54.13 54.47 1wxt s LEU 24 Cb -0.06 0.25 -0.06 0.00 0.50 0.00 0.00 46.19 46.82 1wxt s LEU 24 CO 0.44 -0.11 1.36 -0.89 -1.32 0.00 0.00 176.35 175.82 1wxt s THR 25 N 0.84 3.63 0.19 3.68 2.01 -1.26 -4.32 115.64 120.41 1wxt s THR 25 Ca -0.07 1.10 0.04 0.00 0.31 0.00 0.00 61.69 63.08 1wxt s THR 25 Cb -0.09 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1wxt s THR 25 CO -0.04 0.04 -0.04 0.68 -0.69 0.00 0.00 174.62 174.57 1wxt s VAL 26 N 1.72 1.07 0.30 3.82 -7.23 -0.88 -4.96 120.40 114.23 1wxt s VAL 26 Ca 0.63 -2.04 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 1wxt s VAL 26 Cb -0.33 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 1wxt s VAL 26 CO 0.28 -0.50 -0.04 0.68 -0.31 0.00 0.00 175.10 175.21 1wxt s VAL 27 N -3.39 1.66 0.46 1.32 -7.23 -1.26 -1.91 120.40 110.04 1wxt s VAL 27 Ca 0.24 -2.11 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 1wxt s VAL 27 Cb 0.04 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.37 1wxt s VAL 27 CO 0.05 -0.24 1.10 -1.58 -0.31 0.00 0.00 175.10 174.12 1wxt s GLN 28 N -3.74 3.85 0.00 4.82 0.74 -1.26 -3.15 119.66 120.92 1wxt s GLN 28 Ca 0.31 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.31 1wxt s GLN 28 Cb 0.05 -2.34 0.00 0.00 1.10 0.00 0.00 33.01 31.81 1wxt s GLN 28 CO 0.13 -0.43 0.00 0.41 -0.55 0.00 0.00 175.29 174.85 1wxt n GLY 29 N 0.25 2.74 3.74 2.59 0.00 -0.09 -4.96 105.19 109.45 1wxt n GLY 29 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 2.26 -0.06 1.61 2.56 -1.19 -4.62 118.70 119.21 1wxt s GLU 30 Ca 0.00 1.59 0.04 0.00 0.00 0.00 0.00 54.97 56.61 1wxt s GLU 30 Cb 0.00 -1.86 -0.02 0.00 2.00 0.00 0.00 34.13 34.24 1wxt s GLU 30 CO 0.00 -1.71 -0.17 0.15 -0.56 0.00 0.00 175.26 172.97 1wxt s LYS 31 N -4.08 2.56 0.04 4.30 3.01 -1.26 -0.30 119.74 124.02 1wxt s LYS 31 Ca 0.71 -0.76 0.02 0.00 -1.01 0.00 0.00 55.97 54.93 1wxt s LYS 31 Cb -0.25 -2.33 -0.02 0.00 -1.01 0.00 0.00 37.83 34.21 1wxt s LYS 31 CO 0.46 0.53 -0.07 -0.51 0.51 0.00 0.00 175.35 176.26 1wxt s LEU 32 N -0.50 2.27 -0.23 3.17 1.43 -0.64 -4.94 118.68 119.25 1wxt s LEU 32 Ca 0.06 -0.57 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 1wxt s LEU 32 Cb -0.12 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1wxt s LEU 32 CO 0.01 -0.23 0.65 -0.70 0.23 0.00 0.00 176.35 176.31 1wxt s GLU 33 N -1.71 4.15 0.43 1.70 2.12 -1.04 -2.12 118.70 122.23 1wxt s GLU 33 Ca -0.09 0.61 -0.23 0.00 0.36 0.00 0.00 54.97 55.61 1wxt s GLU 33 Cb -0.09 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 1wxt s GLU 33 CO -0.00 -0.36 1.09 0.08 -0.54 0.00 0.00 175.26 175.53 1wxt s VAL 34 N 2.31 3.53 0.16 3.70 1.01 0.86 -1.30 120.40 130.68 1wxt s VAL 34 Ca 0.28 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1wxt s VAL 34 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1wxt s VAL 34 CO 0.09 -0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.34 1wxt n LEU 35 N -0.32 0.72 -3.95 3.92 4.77 0.28 -3.89 117.00 118.53 1wxt n LEU 35 Ca 0.06 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 1wxt n LEU 35 Cb 0.49 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1wxt n LEU 35 CO 0.45 -0.77 -0.17 -1.81 -1.33 0.00 0.00 177.39 173.77 1wxt s ASP 36 N -5.69 4.35 -0.38 -1.43 1.11 -1.14 -4.92 116.67 108.57 1wxt s ASP 36 Ca 0.00 -3.08 0.07 0.00 0.18 0.00 0.00 52.55 49.71 1wxt s ASP 36 Cb 0.00 -1.64 0.63 0.00 1.07 0.00 0.00 42.92 42.98 1wxt s ASP 36 CO 0.00 -0.22 1.75 0.00 1.18 0.00 0.00 175.17 177.88 1wxt n HIS 37 N 3.01 2.33 -1.27 4.23 1.44 -1.26 -1.83 115.22 121.87 1wxt n HIS 37 Ca 0.06 -1.67 -0.29 0.00 -2.01 0.00 0.00 57.72 53.80 1wxt n HIS 37 Cb 0.32 -0.76 0.13 0.00 0.12 0.00 0.00 29.99 29.80 1wxt n HIS 37 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1wxt n SER 38 N -1.01 5.78 -3.69 4.39 2.88 -1.26 -4.94 113.62 115.77 1wxt n SER 38 Ca 0.48 -3.69 -0.06 0.00 -1.33 0.00 0.00 58.87 54.28 1wxt n SER 38 Cb 1.42 -0.91 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 1wxt n SER 38 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wxt s LYS 39 N -3.54 1.67 0.28 -1.46 1.02 -1.26 -5.03 119.74 111.41 1wxt s LYS 39 Ca 0.61 -0.95 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1wxt s LYS 39 Cb 0.49 0.55 0.66 0.00 -0.52 0.00 0.00 37.83 39.01 1wxt s LYS 39 CO 0.05 -0.77 1.71 0.00 -0.92 0.00 0.00 175.35 175.42 1wxt h ARG 40 N 2.00 0.43 -5.12 1.68 3.08 -1.96 -3.37 114.38 111.12 1wxt h ARG 40 Ca -0.22 -0.03 -0.64 0.00 0.07 0.00 0.00 59.98 59.16 1wxt h ARG 40 Cb 1.24 -0.10 -0.21 0.00 0.08 0.00 0.00 29.97 30.99 1wxt h ARG 40 CO 0.27 0.28 -0.62 -1.58 -1.07 0.00 0.00 179.97 177.24 1wxt s TRP 41 N -5.92 3.10 0.18 3.04 0.52 -1.26 -4.02 118.94 114.59 1wxt s TRP 41 Ca -0.12 -0.29 -0.16 0.00 0.02 0.00 0.00 56.10 55.55 1wxt s TRP 41 Cb 0.24 -2.12 -0.07 0.00 -1.15 0.00 0.00 33.47 30.36 1wxt s TRP 41 CO 0.78 -0.16 0.62 -1.58 0.02 0.00 0.00 176.95 176.63 1wxt s TRP 42 N 0.99 3.61 -0.34 -1.98 0.52 -0.18 -4.80 118.94 116.76 1wxt s TRP 42 Ca 0.03 1.19 -0.11 0.00 0.02 0.00 0.00 56.10 57.23 1wxt s TRP 42 Cb -0.14 -2.47 0.00 0.00 -1.15 0.00 0.00 33.47 29.71 1wxt s TRP 42 CO 0.02 0.38 0.19 -1.17 0.02 0.00 0.00 176.95 176.40 1wxt s LEU 43 N -2.01 4.43 0.39 2.99 2.96 -0.76 -0.50 118.68 126.17 1wxt s LEU 43 Ca 0.40 -0.68 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1wxt s LEU 43 Cb -0.15 -2.04 -0.06 0.00 0.50 0.00 0.00 46.19 44.43 1wxt s LEU 43 CO 0.20 -0.28 0.08 0.68 -1.32 0.00 0.00 176.35 175.72 1wxt s VAL 44 N 1.62 2.34 0.09 1.68 -7.23 -1.15 0.98 120.40 118.73 1wxt s VAL 44 Ca 0.04 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1wxt s VAL 44 Cb -0.18 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 1wxt s VAL 44 CO 0.07 -0.07 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.96 1wxt s LYS 45 N -3.80 0.79 0.53 4.82 2.20 -0.42 -1.95 119.74 121.93 1wxt s LYS 45 Ca 0.38 -1.14 0.05 0.00 -0.36 0.00 0.00 55.97 54.90 1wxt s LYS 45 Cb 0.04 -0.41 0.03 0.00 -1.51 0.00 0.00 37.83 35.98 1wxt s LYS 45 CO 0.20 0.05 0.37 0.54 -0.36 0.00 0.00 175.35 176.15 1wxt s ASN 46 N -2.46 4.60 0.33 1.43 2.20 -0.36 -2.49 114.94 118.18 1wxt s ASN 46 Ca 0.05 -1.26 0.02 0.00 -0.94 0.00 0.00 52.86 50.73 1wxt s ASN 46 Cb -0.02 0.38 0.56 0.00 -2.00 0.00 0.00 41.25 40.17 1wxt s ASN 46 CO -0.01 -1.06 1.90 -0.33 -2.94 0.00 0.00 177.10 174.66 1wxt h GLU 47 N 0.82 0.69 0.00 3.55 4.39 -1.92 -1.76 114.58 120.36 1wxt h GLU 47 Ca -0.38 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 1wxt h GLU 47 Cb 1.30 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1wxt h GLU 47 CO 0.59 0.60 -0.00 0.00 -1.16 0.00 0.00 179.01 179.04 1wxt h ALA 48 N 1.49 1.52 0.00 3.43 0.00 -2.03 -3.45 119.26 120.22 1wxt h ALA 48 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wxt h ALA 48 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wxt h ALA 48 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1wxt n GLY 49 N -1.31 0.64 3.77 0.00 0.00 -0.66 -5.09 105.19 102.54 1wxt n GLY 49 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.62 4.40 -0.07 1.61 3.00 -1.26 -4.80 118.95 121.22 1wxt s ARG 50 Ca 0.00 0.92 0.03 0.00 0.00 0.00 0.00 55.73 56.68 1wxt s ARG 50 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 34.95 31.64 1wxt s ARG 50 CO 0.00 0.43 -0.14 -1.54 0.00 0.00 0.00 175.30 174.04 1wxt s SER 51 N -0.49 1.99 0.10 0.23 1.04 -1.26 -1.22 113.70 114.08 1wxt s SER 51 Ca 0.34 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.47 1wxt s SER 51 Cb -0.20 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 65.03 1wxt s SER 51 CO 0.21 0.07 -0.10 -0.83 0.98 0.00 0.00 173.24 173.57 1wxt s GLY 52 N 0.51 0.83 -0.28 7.32 0.00 -0.82 -4.74 107.32 110.14 1wxt s GLY 52 Ca -0.13 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.11 1wxt s GLY 52 CO 0.04 -1.27 1.18 -0.19 0.00 0.00 0.00 173.10 172.87 1wxt s TYR 53 N -2.50 2.95 0.08 1.90 2.02 -1.17 -2.93 117.35 117.70 1wxt s TYR 53 Ca 0.06 1.07 0.09 0.00 -0.37 0.00 0.00 57.07 57.92 1wxt s TYR 53 Cb -0.02 -3.70 -0.03 0.00 -0.40 0.00 0.00 41.96 37.81 1wxt s TYR 53 CO -0.00 -1.23 -0.24 0.96 -1.57 0.00 0.00 175.55 173.47 1wxt s ILE 54 N 3.84 1.96 0.02 2.71 -4.36 0.34 -4.53 121.20 121.18 1wxt s ILE 54 Ca 0.51 -1.48 -0.30 0.00 -0.26 0.00 0.00 60.65 59.11 1wxt s ILE 54 Cb -0.16 -1.72 -0.06 0.00 1.25 0.00 0.00 42.46 41.77 1wxt s ILE 54 CO 0.17 0.15 1.43 -2.16 0.24 0.00 0.00 174.94 174.77 1wxt s PRO 55 N -1.62 4.28 0.49 0.37 0.04 -1.26 -1.01 135.00 136.29 1wxt s PRO 55 Ca 0.10 2.02 0.22 0.00 0.04 0.00 0.00 61.00 63.38 1wxt s PRO 55 Cb -0.10 -3.53 1.18 0.00 0.04 0.00 0.00 34.50 32.09 1wxt s PRO 55 CO 0.04 -0.58 1.62 0.66 0.04 0.00 0.00 177.00 178.78 1wxt h SER 56 N 7.76 0.00 -0.99 6.66 4.64 -1.91 -0.18 113.55 129.54 1wxt h SER 56 Ca -0.39 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.94 1wxt h SER 56 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1wxt h SER 56 CO 0.90 0.00 0.65 0.78 -0.87 0.00 0.00 176.83 178.29 1wxt h ASN 57 N 0.00 1.12 -0.58 4.97 4.21 -1.90 -1.52 115.58 121.89 1wxt h ASN 57 Ca 0.00 -0.03 -0.30 0.00 1.21 0.00 0.00 56.30 57.18 1wxt h ASN 57 Cb 0.60 -0.28 -0.18 0.00 -1.12 0.00 0.00 38.32 37.34 1wxt h ASN 57 CO 0.00 0.80 0.38 2.30 -1.29 0.00 0.00 177.43 179.63 1wxt n ILE 58 N -4.41 2.28 -4.20 2.81 -5.35 -0.08 -4.82 119.36 105.60 1wxt n ILE 58 Ca 0.12 -1.12 -0.17 0.00 -0.27 0.00 0.00 62.75 61.31 1wxt n ILE 58 Cb 0.03 -0.70 -0.11 0.00 -1.74 0.00 0.00 39.64 37.11 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 -1.91 2.35 0.08 7.28 1.43 -0.57 -0.62 118.68 126.72 1wxt s LEU 59 Ca 0.33 -0.73 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1wxt s LEU 59 Cb 0.28 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 1wxt s LEU 59 CO 0.06 -0.14 0.09 -1.61 0.23 0.00 0.00 176.35 174.98 1wxt s GLU 60 N -2.29 0.77 -0.82 1.70 0.41 0.84 -4.75 118.70 114.56 1wxt s GLU 60 Ca 0.03 -1.12 -0.25 0.00 -0.41 0.00 0.00 54.97 53.22 1wxt s GLU 60 Cb -0.07 0.28 -0.04 0.00 -1.78 0.00 0.00 34.13 32.52 1wxt s GLU 60 CO 0.02 -0.21 1.92 -1.25 -0.49 0.00 0.00 175.26 175.25 1wxt s PRO 61 N -3.91 2.58 -0.37 0.39 0.04 -1.26 -1.67 135.00 130.80 1wxt s PRO 61 Ca 0.08 -0.04 -0.21 0.00 0.04 0.00 0.00 61.00 60.87 1wxt s PRO 61 Cb 0.06 -4.88 0.01 0.00 0.04 0.00 0.00 34.50 29.73 1wxt s PRO 61 CO -0.09 -3.20 0.66 -1.17 0.04 0.00 0.00 177.00 173.24 1wxt s LEU 62 N 9.79 4.27 0.54 -3.56 2.96 -1.25 -4.91 118.68 126.52 1wxt s LEU 62 Ca 0.69 0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1wxt s LEU 62 Cb -0.08 -2.81 0.01 0.00 0.50 0.00 0.00 46.19 43.81 1wxt s LEU 62 CO 0.05 -0.64 0.80 -0.44 -1.32 0.00 0.00 176.35 174.81 1wxt s SER 63 N 1.83 5.55 0.12 3.68 0.01 -1.26 -4.49 113.70 119.13 1wxt s SER 63 Ca 0.25 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1wxt s SER 63 Cb -0.14 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1wxt s SER 63 CO 0.16 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1wxt n GLY 64 N -2.38 -3.16 3.77 3.44 0.00 -1.26 -4.95 105.19 100.66 1wxt n GLY 64 Ca 0.04 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 1wxt n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wxt s PRO 65 N -4.74 3.54 0.12 1.61 0.04 -1.26 -4.96 135.00 129.36 1wxt s PRO 65 Ca 0.00 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 62.48 1wxt s PRO 65 Cb 0.00 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1wxt s PRO 65 CO 0.00 -0.71 1.65 0.66 0.04 0.00 0.00 177.00 178.64 1wxt h SER 66 N 1.59 -0.61 -0.78 6.66 4.64 -1.99 -2.19 113.55 120.87 1wxt h SER 66 Ca -0.50 0.09 0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1wxt h SER 66 Cb 1.26 0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 63.55 1wxt h SER 66 CO 0.58 -0.27 0.47 -1.28 -0.87 0.00 0.00 176.83 175.46 1wxt h SER 67 N -0.31 0.72 0.00 4.97 0.87 -2.03 -3.54 113.55 114.23 1wxt h SER 67 Ca 0.07 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1wxt h SER 67 Cb 0.41 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1wxt h SER 67 CO -0.21 0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.16