#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 3.49 -0.47 1.61 1.04 -1.26 -5.10 113.70 113.01 1wxt s SER 2 Ca 0.00 -1.47 -0.22 0.00 0.48 0.00 0.00 55.95 54.74 1wxt s SER 2 Cb 0.00 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1wxt s SER 2 CO 0.00 -0.63 0.75 -0.55 0.98 0.00 0.00 173.24 173.79 1wxt s SER 3 N -3.69 6.35 -0.35 7.02 0.15 -1.26 -4.92 113.70 117.00 1wxt s SER 3 Ca 0.27 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.66 1wxt s SER 3 Cb 0.07 -2.36 0.45 0.00 -1.71 0.00 0.00 66.02 62.46 1wxt s SER 3 CO 0.14 -0.93 1.21 0.61 1.20 0.00 0.00 173.24 175.46 1wxt n GLY 4 N 5.05 6.27 3.55 9.45 0.00 -1.26 -5.01 105.19 123.24 1wxt n GLY 4 Ca -0.00 -2.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.05 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 -3.49 4.49 0.10 1.61 1.04 -1.26 -4.85 113.70 111.34 1wxt s SER 5 Ca 0.51 0.45 -0.25 0.00 0.48 0.00 0.00 55.95 57.13 1wxt s SER 5 Cb 0.41 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 64.08 1wxt s SER 5 CO -0.03 -3.08 0.76 -0.55 0.98 0.00 0.00 173.24 171.32 1wxt s SER 6 N 10.65 -0.43 0.00 7.02 0.15 -1.26 -5.19 113.70 124.64 1wxt s SER 6 Ca 0.88 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1wxt s SER 6 Cb -0.14 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1wxt s SER 6 CO 0.17 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1wxt n GLY 7 N -0.33 3.69 3.75 9.45 0.00 -1.26 -5.15 105.19 115.34 1wxt n GLY 7 Ca -0.12 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 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 4.41 -0.11 0.99 2.96 -1.23 -4.95 118.68 120.75 1wxt s LEU 8 Ca 0.00 1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 55.10 1wxt s LEU 8 Cb 0.00 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 1wxt s LEU 8 CO 0.00 0.06 0.02 -0.54 -1.32 0.00 0.00 176.35 174.57 1wxt s LYS 9 N -0.05 3.21 -0.06 1.98 -0.14 -1.26 0.13 119.74 123.54 1wxt s LYS 9 Ca 0.33 -0.39 -0.16 0.00 -1.36 0.00 0.00 55.97 54.39 1wxt s LYS 9 Cb -0.19 -2.89 0.03 0.00 -1.68 0.00 0.00 37.83 33.11 1wxt s LYS 9 CO 0.18 0.61 0.38 -1.64 -0.76 0.00 0.00 175.35 174.13 1wxt s MET 10 N -0.63 0.65 0.19 1.68 -1.94 -0.82 -4.72 119.30 113.72 1wxt s MET 10 Ca 0.10 0.07 0.05 0.00 -1.71 0.00 0.00 55.69 54.21 1wxt s MET 10 Cb -0.12 0.30 -0.03 0.00 2.01 0.00 0.00 34.83 36.99 1wxt s MET 10 CO 0.02 -0.16 0.24 1.14 -0.01 0.00 0.00 175.02 176.25 1wxt s GLN 11 N -0.87 3.19 -0.60 2.03 -2.07 -1.07 -0.83 119.66 119.45 1wxt s GLN 11 Ca -0.09 -0.80 -0.28 0.00 -1.82 0.00 0.00 55.36 52.37 1wxt s GLN 11 Cb -0.04 -2.78 0.03 0.00 -1.09 0.00 0.00 33.01 29.13 1wxt s GLN 11 CO 0.04 0.47 1.18 0.08 -1.32 0.00 0.00 175.29 175.73 1wxt s VAL 12 N -1.88 4.02 0.16 3.63 1.01 0.56 -1.82 120.40 126.08 1wxt s VAL 12 Ca 0.33 0.78 -0.15 0.00 0.00 0.00 0.00 61.98 62.94 1wxt s VAL 12 Cb -0.10 -4.73 0.03 0.00 0.00 0.00 0.00 36.38 31.59 1wxt s VAL 12 CO 0.26 -1.38 1.82 0.25 0.00 0.00 0.00 175.10 176.06 1wxt h LEU 13 N 11.95 0.51 -8.28 3.92 6.46 -0.07 0.20 115.31 130.00 1wxt h LEU 13 Ca -0.25 -0.01 -0.30 0.00 -0.12 0.00 0.00 57.88 57.20 1wxt h LEU 13 Cb 1.06 -0.13 -0.20 0.00 -0.73 0.00 0.00 40.66 40.66 1wxt h LEU 13 CO 1.19 0.37 -0.74 -0.31 -0.62 0.00 0.00 178.44 178.33 1wxt s TYR 14 N -6.16 0.84 0.29 1.25 2.02 -1.25 -4.66 117.35 109.68 1wxt s TYR 14 Ca -0.13 -0.56 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 1wxt s TYR 14 Cb 0.11 -0.49 -0.10 0.00 -0.40 0.00 0.00 41.96 41.09 1wxt s TYR 14 CO 0.73 -0.06 1.31 -2.00 -1.57 0.00 0.00 175.55 173.96 1wxt s GLU 15 N -2.05 4.38 -0.01 -0.62 2.12 -1.26 -4.17 118.70 117.09 1wxt s GLU 15 Ca -0.04 2.16 0.03 0.00 0.36 0.00 0.00 54.97 57.48 1wxt s GLU 15 Cb -0.07 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 1wxt s GLU 15 CO 0.00 -0.19 -0.10 0.12 -0.54 0.00 0.00 175.26 174.54 1wxt s PHE 16 N -0.74 0.93 -0.59 5.30 5.36 -0.88 -4.88 117.98 122.48 1wxt s PHE 16 Ca 0.51 -0.18 -0.06 0.00 -0.96 0.00 0.00 56.93 56.24 1wxt s PHE 16 Cb -0.39 -0.60 0.15 0.00 -0.34 0.00 0.00 43.02 41.85 1wxt s PHE 16 CO 0.48 -0.02 0.44 -2.00 -1.46 0.00 0.00 175.22 172.65 1wxt s GLU 17 N -0.20 2.63 0.58 10.12 2.12 -1.26 -2.45 118.70 130.25 1wxt s GLU 17 Ca 0.03 -2.24 -0.18 0.00 0.36 0.00 0.00 54.97 52.94 1wxt s GLU 17 Cb -0.04 -3.87 -0.11 0.00 0.26 0.00 0.00 34.13 30.37 1wxt s GLU 17 CO -0.00 -1.18 0.18 0.00 -0.54 0.00 0.00 175.26 173.71 1wxt n ALA 18 N 4.05 -2.24 0.00 6.30 0.00 -1.26 -4.93 120.51 122.43 1wxt n ALA 18 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1wxt n ALA 18 Cb 0.40 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.65 1.70 -2.81 0.00 1.74 -1.26 -4.92 116.66 111.76 1wxt n ARG 19 Ca 0.09 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.87 1wxt n ARG 19 Cb 0.48 -0.84 -0.03 0.00 -1.02 0.00 0.00 32.46 31.05 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 -2.84 6.53 0.22 0.55 0.01 -1.26 -4.97 114.94 113.19 1wxt s ASN 20 Ca 0.00 1.17 0.22 0.00 -0.71 0.00 0.00 52.86 53.54 1wxt s ASN 20 Cb 0.00 -2.34 0.93 0.00 0.41 0.00 0.00 41.25 40.26 1wxt s ASN 20 CO 0.00 -0.42 1.68 -0.81 -1.51 0.00 0.00 177.10 176.04 1wxt n PRO 21 N -1.33 0.17 -0.16 -0.60 -0.04 -1.26 -1.98 135.00 129.80 1wxt n PRO 21 Ca 0.03 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 1wxt n PRO 21 Cb 0.54 -1.82 0.18 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.14 2.31 -3.54 0.54 1.85 -1.26 -4.97 116.66 109.45 1wxt n ARG 22 Ca 0.02 -2.12 -0.20 0.00 -1.00 0.00 0.00 57.85 54.55 1wxt n ARG 22 Cb 0.22 -1.45 -0.02 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 -1.39 2.90 -0.07 2.89 2.02 -0.84 -2.70 118.70 121.51 1wxt s GLU 23 Ca 0.34 -1.18 0.02 0.00 0.02 0.00 0.00 54.97 54.17 1wxt s GLU 23 Cb 0.20 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.79 1wxt s GLU 23 CO 0.28 0.01 -0.13 -1.17 0.02 0.00 0.00 175.26 174.27 1wxt s LEU 24 N -4.13 1.70 -0.08 1.80 2.96 -1.26 -4.74 118.68 114.93 1wxt s LEU 24 Ca 0.45 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.74 1wxt s LEU 24 Cb -0.08 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 1wxt s LEU 24 CO 0.29 0.05 1.12 -0.89 -1.32 0.00 0.00 176.35 175.60 1wxt s THR 25 N 0.62 4.48 0.40 3.68 2.01 -1.26 -4.49 115.64 121.07 1wxt s THR 25 Ca -0.15 1.78 0.04 0.00 0.31 0.00 0.00 61.69 63.67 1wxt s THR 25 Cb -0.16 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 1wxt s THR 25 CO 0.04 0.00 0.05 0.68 -0.69 0.00 0.00 174.62 174.70 1wxt s VAL 26 N 2.12 1.33 0.05 3.82 -7.23 -1.02 -4.95 120.40 114.51 1wxt s VAL 26 Ca 0.53 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1wxt s VAL 26 Cb -0.22 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1wxt s VAL 26 CO 0.20 0.00 -0.07 0.68 -0.31 0.00 0.00 175.10 175.60 1wxt s VAL 27 N -3.04 0.53 0.25 1.32 -7.23 -1.26 -2.06 120.40 108.91 1wxt s VAL 27 Ca 0.29 -1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 58.95 1wxt s VAL 27 Cb 0.07 -0.75 -0.13 0.00 0.56 0.00 0.00 36.38 36.13 1wxt s VAL 27 CO 0.14 -0.46 1.48 1.67 -0.31 0.00 0.00 175.10 177.61 1wxt n GLN 28 N 1.25 2.25 0.00 4.82 0.00 -1.26 -2.27 117.38 122.17 1wxt n GLN 28 Ca -0.21 0.80 0.00 0.00 -0.00 0.00 0.00 57.00 57.59 1wxt n GLN 28 Cb 0.56 -2.51 0.00 0.00 0.00 0.00 0.00 30.24 28.29 1wxt n GLN 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wxt n GLY 29 N 2.25 3.05 3.66 1.69 0.00 0.06 -4.92 105.19 110.98 1wxt n GLY 29 Ca 0.11 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 0.83 -4.14 1.61 2.13 -0.96 -4.55 120.64 115.56 1wxt n GLU 30 Ca 0.00 0.34 -0.28 0.00 0.66 0.00 0.00 57.16 57.87 1wxt n GLU 30 Cb 0.00 -2.33 -0.07 0.00 0.27 0.00 0.00 31.44 29.30 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 -3.22 2.58 -0.08 5.31 -0.14 -1.26 -0.33 119.74 122.60 1wxt s LYS 31 Ca 0.78 -0.92 -0.11 0.00 -1.36 0.00 0.00 55.97 54.36 1wxt s LYS 31 Cb -0.38 -2.51 0.02 0.00 -1.68 0.00 0.00 37.83 33.29 1wxt s LYS 31 CO 0.45 0.51 0.29 -0.51 -0.76 0.00 0.00 175.35 175.33 1wxt s LEU 32 N -2.63 0.92 -0.41 3.17 1.43 -0.01 -4.93 118.68 116.23 1wxt s LEU 32 Ca 0.27 0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.52 1wxt s LEU 32 Cb -0.11 1.05 0.02 0.00 0.03 0.00 0.00 46.19 47.18 1wxt s LEU 32 CO 0.19 -0.21 0.92 -0.70 0.23 0.00 0.00 176.35 176.78 1wxt s GLU 33 N -0.35 3.72 0.43 1.70 2.12 -1.12 -1.94 118.70 123.25 1wxt s GLU 33 Ca -0.05 0.40 -0.25 0.00 0.36 0.00 0.00 54.97 55.44 1wxt s GLU 33 Cb -0.03 -3.85 -0.08 0.00 0.26 0.00 0.00 34.13 30.42 1wxt s GLU 33 CO 0.01 -1.06 1.26 0.08 -0.54 0.00 0.00 175.26 175.02 1wxt s VAL 34 N 3.58 2.75 0.02 3.70 1.01 0.34 -2.09 120.40 129.71 1wxt s VAL 34 Ca 0.38 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1wxt s VAL 34 Cb -0.11 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1wxt s VAL 34 CO 0.22 0.06 0.00 0.18 0.00 0.00 0.00 175.10 175.56 1wxt n LEU 35 N -0.09 0.12 -3.95 3.92 4.77 0.27 -3.57 117.00 118.48 1wxt n LEU 35 Ca 0.05 0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.75 1wxt n LEU 35 Cb 0.45 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 1wxt n LEU 35 CO 0.53 -0.17 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.50 1wxt s ASP 36 N -5.11 4.52 -0.51 -1.43 -1.08 -1.14 -4.95 116.67 106.96 1wxt s ASP 36 Ca 0.00 -2.26 0.02 0.00 -0.52 0.00 0.00 52.55 49.79 1wxt s ASP 36 Cb 0.00 -1.48 0.50 0.00 -1.46 0.00 0.00 42.92 40.48 1wxt s ASP 36 CO 0.00 -0.35 1.79 0.00 0.52 0.00 0.00 175.17 177.13 1wxt n HIS 37 N 4.10 2.84 0.00 -5.34 1.44 -1.26 -1.54 115.22 115.46 1wxt n HIS 37 Ca 0.04 -2.48 0.00 0.00 -2.01 0.00 0.00 57.72 53.26 1wxt n HIS 37 Cb 0.40 -1.04 0.00 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 -0.95 0.00 -4.60 4.39 7.64 -1.26 -4.99 113.62 113.84 1wxt n SER 38 Ca 0.55 0.14 -0.29 0.00 1.01 0.00 0.00 58.87 60.28 1wxt n SER 38 Cb 0.96 -0.46 0.20 0.00 -1.01 0.00 0.00 64.21 63.89 1wxt n SER 38 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wxt s LYS 39 N -0.92 0.14 0.16 1.43 -0.14 -1.26 -4.91 119.74 114.25 1wxt s LYS 39 Ca 0.00 0.94 -0.29 0.00 -1.36 0.00 0.00 55.97 55.26 1wxt s LYS 39 Cb 0.00 -1.67 -0.03 0.00 -1.68 0.00 0.00 37.83 34.45 1wxt s LYS 39 CO 0.00 -3.04 1.55 -0.09 -0.76 0.00 0.00 175.35 173.01 1wxt h ARG 40 N -2.13 -0.12 -6.27 1.68 2.43 -1.96 -3.37 114.38 104.63 1wxt h ARG 40 Ca -0.54 0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 58.09 1wxt h ARG 40 Cb 1.31 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 1wxt h ARG 40 CO 0.50 -0.08 0.32 -1.58 -1.51 0.00 0.00 179.97 177.62 1wxt s TRP 41 N -5.63 3.61 0.20 2.20 0.52 -1.26 -3.98 118.94 114.60 1wxt s TRP 41 Ca -0.13 1.55 -0.09 0.00 0.02 0.00 0.00 56.10 57.45 1wxt s TRP 41 Cb 0.12 -3.04 -0.07 0.00 -1.15 0.00 0.00 33.47 29.33 1wxt s TRP 41 CO 0.64 -0.02 0.52 -1.58 0.02 0.00 0.00 176.95 176.52 1wxt s TRP 42 N 1.12 3.46 -0.37 -1.98 0.52 0.39 -4.78 118.94 117.29 1wxt s TRP 42 Ca 0.47 0.84 -0.13 0.00 0.02 0.00 0.00 56.10 57.30 1wxt s TRP 42 Cb -0.20 -2.23 0.01 0.00 -1.15 0.00 0.00 33.47 29.91 1wxt s TRP 42 CO 0.24 0.32 0.24 -1.17 0.02 0.00 0.00 176.95 176.60 1wxt s LEU 43 N -2.67 4.72 0.26 2.99 2.96 -0.59 -0.24 118.68 126.11 1wxt s LEU 43 Ca 0.45 -0.74 0.11 0.00 -0.22 0.00 0.00 54.13 53.72 1wxt s LEU 43 Cb -0.12 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1wxt s LEU 43 CO 0.21 -0.34 -0.13 0.68 -1.32 0.00 0.00 176.35 175.45 1wxt s VAL 44 N 1.65 2.84 0.22 1.68 -7.23 -1.12 0.93 120.40 119.37 1wxt s VAL 44 Ca 0.04 -2.17 0.09 0.00 -1.81 0.00 0.00 61.98 58.13 1wxt s VAL 44 Cb -0.18 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1wxt s VAL 44 CO 0.09 -0.36 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.61 1wxt s LYS 45 N -3.47 1.40 0.26 4.82 2.20 -0.89 -1.67 119.74 122.40 1wxt s LYS 45 Ca 0.30 -1.60 0.01 0.00 -0.36 0.00 0.00 55.97 54.31 1wxt s LYS 45 Cb -0.06 -1.28 0.01 0.00 -1.51 0.00 0.00 37.83 34.99 1wxt s LYS 45 CO 0.16 0.23 0.06 0.27 -0.36 0.00 0.00 175.35 175.71 1wxt n ASN 46 N -0.35 2.48 0.21 1.43 0.23 -0.95 -2.81 115.26 115.50 1wxt n ASN 46 Ca -0.08 -2.08 0.15 0.00 -0.53 0.00 0.00 54.58 52.04 1wxt n ASN 46 Cb 0.60 0.12 0.58 0.00 -2.08 0.00 0.00 39.78 39.01 1wxt n ASN 46 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1wxt h GLU 47 N 0.00 0.00 -0.62 -3.83 9.09 -1.92 -2.55 114.58 114.75 1wxt h GLU 47 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.21 1wxt h GLU 47 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1wxt h GLU 47 CO 0.33 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.39 1wxt n ALA 48 N -1.95 2.74 -0.95 1.06 0.00 -1.26 -4.85 120.51 115.30 1wxt n ALA 48 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1wxt n ALA 48 Cb 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.45 0.02 3.60 0.00 0.00 -0.96 -4.93 105.19 103.37 1wxt n GLY 49 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.85 3.95 -0.15 1.61 0.52 -1.26 -4.88 118.95 116.90 1wxt s ARG 50 Ca 0.00 -0.03 -0.03 0.00 -0.52 0.00 0.00 55.73 55.15 1wxt s ARG 50 Cb 0.00 -3.68 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 1wxt s ARG 50 CO 0.00 -0.31 -0.06 -1.54 0.02 0.00 0.00 175.30 173.41 1wxt s SER 51 N 1.66 4.61 0.13 0.23 1.04 -1.26 -2.25 113.70 117.86 1wxt s SER 51 Ca 0.14 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1wxt s SER 51 Cb -0.16 -1.74 -0.04 0.00 0.10 0.00 0.00 66.02 64.18 1wxt s SER 51 CO 0.10 0.16 -0.12 -0.83 0.98 0.00 0.00 173.24 173.53 1wxt s GLY 52 N 0.40 1.04 -0.21 7.32 0.00 -0.67 -4.79 107.32 110.41 1wxt s GLY 52 Ca -0.05 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 43.03 1wxt s GLY 52 CO 0.03 -1.42 1.04 -0.19 0.00 0.00 0.00 173.10 172.56 1wxt s TYR 53 N -2.59 3.36 0.06 1.90 2.02 -1.10 -2.79 117.35 118.22 1wxt s TYR 53 Ca 0.11 1.48 0.04 0.00 -0.37 0.00 0.00 57.07 58.34 1wxt s TYR 53 Cb -0.02 -3.26 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 1wxt s TYR 53 CO 0.02 -0.45 -0.11 0.96 -1.57 0.00 0.00 175.55 174.39 1wxt s ILE 54 N 2.99 0.89 0.68 2.71 -4.36 0.66 -4.34 121.20 120.45 1wxt s ILE 54 Ca 0.45 -1.27 -0.14 0.00 -0.26 0.00 0.00 60.65 59.43 1wxt s ILE 54 Cb -0.16 -0.94 0.01 0.00 1.25 0.00 0.00 42.46 42.62 1wxt s ILE 54 CO 0.08 -0.32 1.11 -2.16 0.24 0.00 0.00 174.94 173.89 1wxt s PRO 55 N -1.80 2.69 0.23 0.37 0.04 -1.26 0.15 135.00 135.41 1wxt s PRO 55 Ca -0.04 1.35 0.25 0.00 0.04 0.00 0.00 61.00 62.60 1wxt s PRO 55 Cb -0.09 -1.94 0.59 0.00 0.04 0.00 0.00 34.50 33.10 1wxt s PRO 55 CO 0.01 -1.33 1.62 0.66 0.04 0.00 0.00 177.00 178.00 1wxt h SER 56 N -0.20 0.00 0.26 6.66 4.64 -1.93 -3.24 113.55 119.74 1wxt h SER 56 Ca -0.46 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 1wxt h SER 56 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1wxt h SER 56 CO 0.53 0.02 -0.05 -0.55 -0.87 0.00 0.00 176.83 175.92 1wxt h ASN 57 N 0.00 0.00 -0.64 4.97 7.08 -1.92 -1.36 115.58 123.70 1wxt h ASN 57 Ca 0.00 0.00 -0.25 0.00 -3.08 0.00 0.00 56.30 52.97 1wxt h ASN 57 Cb 0.80 0.00 -0.15 0.00 -2.08 0.00 0.00 38.32 36.89 1wxt h ASN 57 CO 0.00 0.05 0.24 2.30 -2.08 0.00 0.00 177.43 177.94 1wxt n ILE 58 N -3.49 2.82 -4.39 6.14 -5.35 -1.22 -4.75 119.36 109.12 1wxt n ILE 58 Ca -0.02 -2.01 -0.22 0.00 -0.27 0.00 0.00 62.75 60.23 1wxt n ILE 58 Cb 0.17 -0.36 -0.16 0.00 -1.74 0.00 0.00 39.64 37.54 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 -3.11 1.57 0.11 7.28 1.43 -0.52 0.67 118.68 126.11 1wxt s LEU 59 Ca 0.51 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1wxt s LEU 59 Cb 0.43 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.99 1wxt s LEU 59 CO 0.09 0.01 -0.09 -1.61 0.23 0.00 0.00 176.35 174.98 1wxt s GLU 60 N 0.63 0.89 -0.76 1.70 0.41 -0.76 -4.79 118.70 116.02 1wxt s GLU 60 Ca -0.11 -1.29 -0.26 0.00 -0.41 0.00 0.00 54.97 52.91 1wxt s GLU 60 Cb -0.14 -0.43 -0.03 0.00 -1.78 0.00 0.00 34.13 31.75 1wxt s GLU 60 CO 0.02 0.04 1.90 -1.25 -0.49 0.00 0.00 175.26 175.48 1wxt s PRO 61 N -3.38 2.59 0.92 0.39 0.04 -1.26 -2.59 135.00 131.71 1wxt s PRO 61 Ca 0.10 0.15 -0.15 0.00 0.04 0.00 0.00 61.00 61.15 1wxt s PRO 61 Cb 0.01 -4.73 0.17 0.00 0.04 0.00 0.00 34.50 29.99 1wxt s PRO 61 CO -0.02 -3.06 1.28 -0.48 0.04 0.00 0.00 177.00 174.77 1wxt s LEU 62 N 9.59 2.66 -0.11 -3.56 -0.00 -1.26 -5.00 118.68 121.00 1wxt s LEU 62 Ca 0.69 0.40 -0.15 0.00 -0.00 0.00 0.00 54.13 55.06 1wxt s LEU 62 Cb -0.10 -2.56 0.04 0.00 -0.00 0.00 0.00 46.19 43.57 1wxt s LEU 62 CO 0.10 -2.52 0.40 -0.55 -0.00 0.00 0.00 176.35 173.78 1wxt s SER 63 N -4.81 -0.38 0.00 1.48 0.15 -1.26 -5.00 113.70 103.87 1wxt s SER 63 Ca 0.71 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1wxt s SER 63 Cb -0.06 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1wxt s SER 63 CO 0.52 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1wxt n GLY 64 N 2.34 1.09 3.77 9.45 0.00 -1.26 -5.14 105.19 115.44 1wxt n GLY 64 Ca -0.16 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 0.62 2.33 -0.19 1.61 0.04 -1.26 -4.98 135.00 133.17 1wxt s PRO 65 Ca 0.00 1.21 0.15 0.00 0.04 0.00 0.00 61.00 62.40 1wxt s PRO 65 Cb 0.00 -1.90 0.45 0.00 0.04 0.00 0.00 34.50 33.09 1wxt s PRO 65 CO 0.00 -1.59 1.35 -1.13 0.04 0.00 0.00 177.00 175.67 1wxt n SER 66 N -3.35 3.03 -4.21 6.66 3.41 -1.26 -4.94 113.62 112.96 1wxt n SER 66 Ca 0.09 -3.26 -0.36 0.00 -0.26 0.00 0.00 58.87 55.09 1wxt n SER 66 Cb 0.53 -0.53 -0.13 0.00 -0.26 0.00 0.00 64.21 63.81 1wxt n SER 66 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wxt s SER 67 N -2.40 4.95 0.00 4.04 0.15 -1.26 -5.35 113.70 113.83 1wxt s SER 67 Ca 0.40 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1wxt s SER 67 Cb 0.34 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1wxt s SER 67 CO 0.04 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.83