#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 -4.27 -3.92 1.61 7.64 -1.26 -4.97 113.62 108.46 1wxt n SER 2 Ca 0.00 -0.82 -0.22 0.00 1.01 0.00 0.00 58.87 58.85 1wxt n SER 2 Cb 0.00 -3.73 -0.16 0.00 -1.01 0.00 0.00 64.21 59.30 1wxt n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxt s SER 3 N -3.41 1.23 0.00 6.43 0.15 -1.26 -5.09 113.70 111.76 1wxt s SER 3 Ca 0.61 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1wxt s SER 3 Cb -0.31 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 1wxt s SER 3 CO 0.84 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.85 1wxt n GLY 4 N 4.09 -2.74 3.10 9.45 0.00 -1.26 -5.02 105.19 112.82 1wxt n GLY 4 Ca -0.23 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.04 2.41 0.47 1.61 0.01 -1.26 -5.12 113.70 111.79 1wxt s SER 5 Ca 0.00 -0.43 -0.24 0.00 1.31 0.00 0.00 55.95 56.59 1wxt s SER 5 Cb 0.00 -1.10 -0.08 0.00 0.21 0.00 0.00 66.02 65.05 1wxt s SER 5 CO 0.00 0.07 1.31 -0.24 0.41 0.00 0.00 173.24 174.80 1wxt n SER 6 N 3.80 2.67 0.00 2.44 2.88 -1.26 -4.94 113.62 119.21 1wxt n SER 6 Ca -0.21 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wxt n SER 6 Cb 0.52 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1wxt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxt n GLY 7 N 0.77 2.37 3.25 0.46 0.00 -1.26 -5.13 105.19 105.65 1wxt n GLY 7 Ca 0.08 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 3.46 0.16 0.99 1.98 -1.26 -5.08 118.68 118.93 1wxt s LEU 8 Ca 0.00 -0.82 0.10 0.00 -2.89 0.00 0.00 54.13 50.53 1wxt s LEU 8 Cb 0.00 -1.75 -0.04 0.00 0.66 0.00 0.00 46.19 45.06 1wxt s LEU 8 CO 0.00 -0.15 -0.24 -0.54 -1.89 0.00 0.00 176.35 173.53 1wxt s LYS 9 N 1.39 1.40 0.04 1.98 1.02 -1.26 0.30 119.74 124.61 1wxt s LYS 9 Ca 0.01 -1.41 -0.17 0.00 0.02 0.00 0.00 55.97 54.42 1wxt s LYS 9 Cb -0.17 -1.73 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1wxt s LYS 9 CO -0.02 0.39 0.39 -1.64 -0.92 0.00 0.00 175.35 173.56 1wxt s MET 10 N -2.39 0.90 0.21 1.68 -1.94 -1.00 -4.56 119.30 112.21 1wxt s MET 10 Ca 0.16 -0.38 0.05 0.00 -1.71 0.00 0.00 55.69 53.81 1wxt s MET 10 Cb -0.09 0.40 -0.03 0.00 2.01 0.00 0.00 34.83 37.12 1wxt s MET 10 CO 0.07 -0.31 0.24 1.14 -0.01 0.00 0.00 175.02 176.16 1wxt s GLN 11 N -2.48 3.14 -0.13 2.03 -2.07 -1.16 -2.45 119.66 116.54 1wxt s GLN 11 Ca -0.05 -0.87 -0.16 0.00 -1.82 0.00 0.00 55.36 52.46 1wxt s GLN 11 Cb -0.01 -2.73 -0.04 0.00 -1.09 0.00 0.00 33.01 29.14 1wxt s GLN 11 CO -0.02 0.44 0.41 0.08 -1.32 0.00 0.00 175.29 174.88 1wxt s VAL 12 N -1.95 5.23 -0.25 3.63 1.01 -0.80 -2.90 120.40 124.37 1wxt s VAL 12 Ca 0.33 0.80 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1wxt s VAL 12 Cb -0.09 -3.75 -0.18 0.00 0.00 0.00 0.00 36.38 32.36 1wxt s VAL 12 CO 0.26 0.35 -0.17 0.18 0.00 0.00 0.00 175.10 175.73 1wxt n LEU 13 N 3.60 2.90 -4.18 3.92 4.77 -1.14 -0.10 117.00 126.78 1wxt n LEU 13 Ca -0.09 -0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.50 1wxt n LEU 13 Cb 0.52 -0.91 -0.16 0.00 -2.33 0.00 0.00 43.42 40.54 1wxt n LEU 13 CO 0.42 0.93 -0.53 -0.31 -1.33 0.00 0.00 177.39 176.57 1wxt s TYR 14 N -2.52 2.01 0.23 -1.77 1.51 -1.26 -4.70 117.35 110.84 1wxt s TYR 14 Ca -0.33 -0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 54.80 1wxt s TYR 14 Cb 0.09 -1.34 -0.09 0.00 -0.11 0.00 0.00 41.96 40.50 1wxt s TYR 14 CO 0.62 -0.22 1.31 -2.00 -1.11 0.00 0.00 175.55 174.15 1wxt s GLU 15 N 0.05 4.39 0.16 -0.62 2.12 -1.26 -4.63 118.70 118.91 1wxt s GLU 15 Ca -0.06 2.09 0.09 0.00 0.36 0.00 0.00 54.97 57.45 1wxt s GLU 15 Cb -0.13 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1wxt s GLU 15 CO 0.03 -0.24 -0.21 0.12 -0.54 0.00 0.00 175.26 174.43 1wxt s PHE 16 N -0.14 1.99 -0.35 5.30 5.36 -0.61 -4.99 117.98 124.53 1wxt s PHE 16 Ca 0.55 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1wxt s PHE 16 Cb -0.37 -1.01 0.10 0.00 -0.34 0.00 0.00 43.02 41.40 1wxt s PHE 16 CO 0.41 0.37 0.08 -2.00 -1.46 0.00 0.00 175.22 172.61 1wxt s GLU 17 N -2.59 1.64 0.16 10.12 2.12 -1.26 -3.09 118.70 125.81 1wxt s GLU 17 Ca 0.16 -1.83 -0.34 0.00 0.36 0.00 0.00 54.97 53.32 1wxt s GLU 17 Cb -0.07 -3.28 -0.15 0.00 0.26 0.00 0.00 34.13 30.89 1wxt s GLU 17 CO 0.07 -0.95 1.27 0.00 -0.54 0.00 0.00 175.26 175.11 1wxt n ALA 18 N 4.34 -0.41 -0.10 6.30 0.00 -1.26 -4.90 120.51 124.48 1wxt n ALA 18 Ca 0.02 0.47 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 1wxt n ALA 18 Cb 0.42 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 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 2.08 0.57 -3.11 0.00 5.12 -1.26 -4.92 116.66 115.14 1wxt n ARG 19 Ca 0.15 0.10 -0.30 0.00 -1.93 0.00 0.00 57.85 55.87 1wxt n ARG 19 Cb 0.25 -1.39 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 1wxt n ARG 19 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1wxt s ASN 20 N -5.81 6.56 0.00 0.55 -0.87 -1.26 -4.95 114.94 109.16 1wxt s ASN 20 Ca -0.25 1.02 0.13 0.00 -1.57 0.00 0.00 52.86 52.20 1wxt s ASN 20 Cb 0.07 -2.27 0.79 0.00 -0.02 0.00 0.00 41.25 39.82 1wxt s ASN 20 CO 0.46 -0.27 1.21 -0.81 -2.57 0.00 0.00 177.10 175.13 1wxt n PRO 21 N -0.87 0.49 0.00 -0.60 -0.04 -1.26 -1.73 135.00 130.98 1wxt n PRO 21 Ca 0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 1wxt n PRO 21 Cb 0.54 -1.43 0.04 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.93 0.86 -2.94 0.54 1.85 -1.26 -5.01 116.66 109.78 1wxt n ARG 22 Ca 0.10 -1.12 -0.20 0.00 -1.00 0.00 0.00 57.85 55.62 1wxt n ARG 22 Cb 0.05 -1.21 0.07 0.00 -1.05 0.00 0.00 32.46 30.31 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 -1.07 2.18 -0.06 2.89 2.02 -0.71 -2.93 118.70 121.02 1wxt s GLU 23 Ca 0.13 -1.52 -0.03 0.00 0.02 0.00 0.00 54.97 53.58 1wxt s GLU 23 Cb 0.10 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.79 1wxt s GLU 23 CO 0.17 -0.98 0.13 -1.17 0.02 0.00 0.00 175.26 173.43 1wxt s LEU 24 N -4.76 0.43 0.27 1.80 2.96 -1.26 -4.59 118.68 113.52 1wxt s LEU 24 Ca 0.63 0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 54.50 1wxt s LEU 24 Cb -0.06 0.23 -0.10 0.00 0.50 0.00 0.00 46.19 46.76 1wxt s LEU 24 CO 0.40 -0.19 1.30 -0.89 -1.32 0.00 0.00 176.35 175.65 1wxt s THR 25 N 1.65 2.95 0.04 3.68 2.01 -1.26 -4.59 115.64 120.12 1wxt s THR 25 Ca -0.03 0.88 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1wxt s THR 25 Cb -0.12 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1wxt s THR 25 CO -0.05 0.18 -0.04 0.68 -0.69 0.00 0.00 174.62 174.69 1wxt s VAL 26 N -0.61 0.26 0.38 3.82 -7.23 -1.18 -4.99 120.40 110.85 1wxt s VAL 26 Ca 0.52 -1.29 0.08 0.00 -1.81 0.00 0.00 61.98 59.48 1wxt s VAL 26 Cb -0.38 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.69 1wxt s VAL 26 CO 0.46 -0.66 0.05 0.68 -0.31 0.00 0.00 175.10 175.31 1wxt s VAL 27 N -2.36 2.36 0.52 1.32 -7.23 -1.26 -1.58 120.40 112.16 1wxt s VAL 27 Ca -0.06 -1.92 -0.21 0.00 -1.81 0.00 0.00 61.98 57.98 1wxt s VAL 27 Cb -0.03 -2.89 -0.06 0.00 0.56 0.00 0.00 36.38 33.96 1wxt s VAL 27 CO -0.04 -0.10 1.18 -1.58 -0.31 0.00 0.00 175.10 174.25 1wxt s GLN 28 N -3.76 3.42 0.00 4.82 0.74 -1.26 -3.02 119.66 120.60 1wxt s GLN 28 Ca 0.36 1.77 0.00 0.00 0.05 0.00 0.00 55.36 57.54 1wxt s GLN 28 Cb 0.04 -2.16 0.00 0.00 1.10 0.00 0.00 33.01 31.98 1wxt s GLN 28 CO 0.20 -0.83 0.00 0.41 -0.55 0.00 0.00 175.29 174.52 1wxt n GLY 29 N 0.38 1.96 3.69 2.59 0.00 0.86 -4.96 105.19 109.71 1wxt n GLY 29 Ca 0.10 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 1.88 -3.94 1.61 2.13 -1.17 -4.61 120.64 116.55 1wxt n GLU 30 Ca 0.00 0.67 -0.31 0.00 0.66 0.00 0.00 57.16 58.18 1wxt n GLU 30 Cb 0.00 -2.32 -0.04 0.00 0.27 0.00 0.00 31.44 29.35 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 -2.11 3.37 0.16 5.31 1.02 -1.26 -1.90 119.74 124.33 1wxt s LYS 31 Ca 0.60 -0.46 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 1wxt s LYS 31 Cb -0.53 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1wxt s LYS 31 CO 0.59 0.61 0.33 -0.51 -0.92 0.00 0.00 175.35 175.45 1wxt s LEU 32 N -2.43 0.80 -0.20 3.17 1.43 -1.02 -4.88 118.68 115.55 1wxt s LEU 32 Ca 0.33 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1wxt s LEU 32 Cb -0.13 1.41 -0.01 0.00 0.03 0.00 0.00 46.19 47.49 1wxt s LEU 32 CO 0.26 -0.90 -0.04 -0.70 0.23 0.00 0.00 176.35 175.20 1wxt s GLU 33 N -3.92 3.45 0.29 1.70 2.12 -1.21 -2.38 118.70 118.75 1wxt s GLU 33 Ca 0.13 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 1wxt s GLU 33 Cb 0.03 -2.99 -0.10 0.00 0.26 0.00 0.00 34.13 31.33 1wxt s GLU 33 CO -0.03 -0.09 1.11 0.08 -0.54 0.00 0.00 175.26 175.78 1wxt s VAL 34 N 1.22 3.46 -0.05 3.70 1.01 0.15 -2.61 120.40 127.28 1wxt s VAL 34 Ca 0.03 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.43 1wxt s VAL 34 Cb -0.14 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1wxt s VAL 34 CO -0.01 0.32 -0.05 0.18 0.00 0.00 0.00 175.10 175.54 1wxt n LEU 35 N 1.06 0.95 -3.76 3.92 4.77 0.12 -4.44 117.00 119.63 1wxt n LEU 35 Ca -0.01 0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1wxt n LEU 35 Cb 0.45 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 1wxt n LEU 35 CO 0.54 0.21 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.89 1wxt s ASP 36 N -5.18 3.97 -0.51 -1.43 2.15 -1.20 -4.97 116.67 109.50 1wxt s ASP 36 Ca -0.06 -2.09 0.01 0.00 0.43 0.00 0.00 52.55 50.84 1wxt s ASP 36 Cb 0.02 -1.02 0.51 0.00 -0.30 0.00 0.00 42.92 42.13 1wxt s ASP 36 CO 0.08 -0.35 1.93 0.00 -0.17 0.00 0.00 175.17 176.67 1wxt n HIS 37 N 4.27 2.86 0.00 -5.34 1.44 -1.26 -2.27 115.22 114.92 1wxt n HIS 37 Ca 0.03 -2.29 0.00 0.00 -2.01 0.00 0.00 57.72 53.45 1wxt n HIS 37 Cb 0.39 -1.13 0.00 0.00 0.12 0.00 0.00 29.99 29.37 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 -0.84 0.00 -4.41 4.39 2.88 -1.26 -5.01 113.62 109.37 1wxt n SER 38 Ca 0.56 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.76 1wxt n SER 38 Cb 1.10 -0.38 0.10 0.00 -0.75 0.00 0.00 64.21 64.28 1wxt n SER 38 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wxt n LYS 39 N -2.26 -0.06 -0.33 -1.46 4.81 -1.26 -4.79 118.16 112.81 1wxt n LYS 39 Ca 0.00 0.03 0.23 0.00 -0.87 0.00 0.00 58.31 57.70 1wxt n LYS 39 Cb 0.00 -1.79 0.44 0.00 0.02 0.00 0.00 35.03 33.70 1wxt n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wxt h ARG 40 N -1.10 0.04 -5.56 1.64 3.08 -1.96 -3.36 114.38 107.16 1wxt h ARG 40 Ca -0.44 -0.00 -0.63 0.00 0.07 0.00 0.00 59.98 58.98 1wxt h ARG 40 Cb 1.31 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.26 1wxt h ARG 40 CO 0.37 0.03 -0.42 -1.58 -1.07 0.00 0.00 179.97 177.30 1wxt s TRP 41 N -5.75 3.54 -0.08 3.04 0.52 -1.26 -4.40 118.94 114.55 1wxt s TRP 41 Ca -0.11 0.55 -0.17 0.00 0.02 0.00 0.00 56.10 56.39 1wxt s TRP 41 Cb 0.31 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.46 1wxt s TRP 41 CO 0.78 0.51 0.46 -1.58 0.02 0.00 0.00 176.95 177.14 1wxt s TRP 42 N -0.38 3.58 -0.18 -1.98 0.52 -0.59 -4.72 118.94 115.21 1wxt s TRP 42 Ca 0.15 0.93 -0.19 0.00 0.02 0.00 0.00 56.10 57.01 1wxt s TRP 42 Cb -0.13 -2.48 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 1wxt s TRP 42 CO 0.04 0.31 0.55 -1.17 0.02 0.00 0.00 176.95 176.70 1wxt s LEU 43 N 0.09 4.18 0.29 2.99 2.96 -0.96 -1.73 118.68 126.50 1wxt s LEU 43 Ca 0.25 0.77 0.05 0.00 -0.22 0.00 0.00 54.13 54.98 1wxt s LEU 43 Cb -0.16 -2.77 -0.06 0.00 0.50 0.00 0.00 46.19 43.70 1wxt s LEU 43 CO 0.11 -0.17 0.01 0.68 -1.32 0.00 0.00 176.35 175.67 1wxt s VAL 44 N 1.47 1.32 -0.01 1.68 -7.23 -1.15 0.16 120.40 116.65 1wxt s VAL 44 Ca 0.26 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1wxt s VAL 44 Cb -0.16 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1wxt s VAL 44 CO 0.10 -0.16 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.98 1wxt s LYS 45 N -3.83 0.12 0.64 4.82 2.20 -1.07 -1.61 119.74 121.01 1wxt s LYS 45 Ca 0.33 -0.01 -0.04 0.00 -0.36 0.00 0.00 55.97 55.89 1wxt s LYS 45 Cb 0.07 -0.16 0.13 0.00 -1.51 0.00 0.00 37.83 36.36 1wxt s LYS 45 CO 0.13 -0.01 0.88 0.27 -0.36 0.00 0.00 175.35 176.26 1wxt n ASN 46 N 3.26 0.82 -0.20 1.43 0.23 -0.91 -3.33 115.26 116.56 1wxt n ASN 46 Ca -0.15 -1.78 -0.09 0.00 -0.53 0.00 0.00 54.58 52.03 1wxt n ASN 46 Cb 0.58 -0.60 0.02 0.00 -2.08 0.00 0.00 39.78 37.70 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 1.03 -1.00 -3.83 4.11 -1.90 -2.91 114.58 110.08 1wxt h GLU 47 Ca -0.29 -0.33 0.22 0.00 0.07 0.00 0.00 59.36 59.03 1wxt h GLU 47 Cb 0.98 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.02 1wxt h GLU 47 CO 0.27 1.02 0.61 0.00 0.07 0.00 0.00 179.01 180.98 1wxt h ALA 48 N 0.98 1.80 0.00 1.06 0.00 -2.02 -3.45 119.26 117.62 1wxt h ALA 48 Ca 0.17 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wxt h ALA 48 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wxt h ALA 48 CO 0.03 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.49 1wxt n GLY 49 N -1.35 1.68 3.61 0.00 0.00 -1.10 -5.12 105.19 102.92 1wxt n GLY 49 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.06 3.81 -0.12 1.61 0.52 -1.26 -4.92 118.95 118.53 1wxt s ARG 50 Ca 0.00 -0.39 -0.02 0.00 -0.52 0.00 0.00 55.73 54.80 1wxt s ARG 50 Cb 0.00 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 1wxt s ARG 50 CO 0.00 0.31 -0.04 -1.54 0.02 0.00 0.00 175.30 174.05 1wxt s SER 51 N 0.23 4.83 0.00 0.23 1.04 -1.26 -2.14 113.70 116.64 1wxt s SER 51 Ca 0.02 -0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 1wxt s SER 51 Cb -0.13 -1.54 -0.00 0.00 0.10 0.00 0.00 66.02 64.45 1wxt s SER 51 CO 0.01 0.27 0.09 -0.83 0.98 0.00 0.00 173.24 173.76 1wxt s GLY 52 N -0.24 0.08 0.02 7.32 0.00 -0.63 -4.72 107.32 109.14 1wxt s GLY 52 Ca 0.04 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 1wxt s GLY 52 CO 0.02 -0.30 1.21 -0.19 0.00 0.00 0.00 173.10 173.85 1wxt s TYR 53 N -1.20 3.31 0.06 1.90 2.02 -1.15 -2.95 117.35 119.35 1wxt s TYR 53 Ca -0.13 1.24 0.04 0.00 -0.37 0.00 0.00 57.07 57.85 1wxt s TYR 53 Cb -0.07 -3.44 -0.03 0.00 -0.40 0.00 0.00 41.96 38.02 1wxt s TYR 53 CO 0.01 -1.36 -0.11 0.96 -1.57 0.00 0.00 175.55 173.47 1wxt s ILE 54 N 1.54 0.85 -0.23 2.71 -4.36 -0.70 -4.24 121.20 116.76 1wxt s ILE 54 Ca 0.58 -1.24 -0.29 0.00 -0.26 0.00 0.00 60.65 59.44 1wxt s ILE 54 Cb -0.28 -0.90 -0.02 0.00 1.25 0.00 0.00 42.46 42.50 1wxt s ILE 54 CO 0.27 -0.33 1.62 -2.16 0.24 0.00 0.00 174.94 174.58 1wxt s PRO 55 N -1.78 3.76 0.62 0.37 0.04 -1.26 -1.53 135.00 135.21 1wxt s PRO 55 Ca -0.05 1.62 0.24 0.00 0.04 0.00 0.00 61.00 62.85 1wxt s PRO 55 Cb -0.09 -4.04 1.07 0.00 0.04 0.00 0.00 34.50 31.48 1wxt s PRO 55 CO 0.01 -1.34 1.54 1.03 0.04 0.00 0.00 177.00 178.28 1wxt h SER 56 N 10.85 0.00 -0.92 6.66 0.87 -1.89 0.28 113.55 129.40 1wxt h SER 56 Ca -0.33 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1wxt h SER 56 Cb 1.15 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.03 1wxt h SER 56 CO 1.01 0.00 0.59 0.78 -0.53 0.00 0.00 176.83 178.68 1wxt h ASN 57 N 0.00 0.64 -0.40 6.23 2.35 -1.92 0.34 115.58 122.82 1wxt h ASN 57 Ca 0.26 0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.92 1wxt h ASN 57 Cb 1.89 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 40.11 1wxt h ASN 57 CO -0.00 0.29 0.17 2.30 -1.65 0.00 0.00 177.43 178.54 1wxt n ILE 58 N -4.59 1.76 -4.38 2.81 -5.35 0.99 -4.83 119.36 105.78 1wxt n ILE 58 Ca 0.19 -0.84 -0.21 0.00 -0.27 0.00 0.00 62.75 61.63 1wxt n ILE 58 Cb 0.54 -0.57 -0.16 0.00 -1.74 0.00 0.00 39.64 37.71 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 -1.53 1.72 0.09 7.28 1.43 0.12 -2.90 118.68 124.89 1wxt s LEU 59 Ca 0.28 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1wxt s LEU 59 Cb 0.23 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1wxt s LEU 59 CO 0.07 0.05 -0.02 -1.61 0.23 0.00 0.00 176.35 175.07 1wxt s GLU 60 N 0.33 0.77 -0.13 1.70 0.41 -1.14 -4.97 118.70 115.66 1wxt s GLU 60 Ca -0.05 -1.32 -0.29 0.00 -0.41 0.00 0.00 54.97 52.90 1wxt s GLU 60 Cb -0.10 0.08 -0.04 0.00 -1.78 0.00 0.00 34.13 32.29 1wxt s GLU 60 CO 0.01 -0.12 1.55 -1.25 -0.49 0.00 0.00 175.26 174.96 1wxt s PRO 61 N -3.92 4.08 0.69 0.39 0.04 -1.26 -2.99 135.00 132.03 1wxt s PRO 61 Ca 0.13 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1wxt s PRO 61 Cb 0.07 -3.95 0.17 0.00 0.04 0.00 0.00 34.50 30.84 1wxt s PRO 61 CO -0.05 -0.94 0.52 1.28 0.04 0.00 0.00 177.00 177.84 1wxt n LEU 62 N 7.38 0.00 -4.77 -3.56 4.77 -1.26 -4.96 117.00 114.60 1wxt n LEU 62 Ca 0.17 -0.54 -0.37 0.00 -0.03 0.00 0.00 56.01 55.24 1wxt n LEU 62 Cb 0.44 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1wxt n LEU 62 CO 0.61 -1.85 0.83 -0.55 -1.33 0.00 0.00 177.39 175.10 1wxt s SER 63 N -2.84 6.18 0.52 -1.43 0.15 -1.26 -4.98 113.70 110.04 1wxt s SER 63 Ca 0.36 2.30 -0.22 0.00 0.70 0.00 0.00 55.95 59.09 1wxt s SER 63 Cb -0.05 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 1wxt s SER 63 CO 0.29 -0.91 1.30 -0.83 1.20 0.00 0.00 173.24 174.29 1wxt s GLY 64 N -1.36 2.86 0.02 9.45 0.00 -1.26 -4.94 107.32 112.09 1wxt s GLY 64 Ca 0.63 1.22 -0.30 0.00 0.00 0.00 0.00 44.72 46.27 1wxt s GLY 64 CO 0.35 1.72 1.43 2.56 0.00 0.00 0.00 173.10 179.16 1wxt s PRO 65 N -2.83 4.28 -0.30 2.90 0.04 -1.26 -4.98 135.00 132.85 1wxt s PRO 65 Ca 0.69 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.65 1wxt s PRO 65 Cb -0.37 -3.53 0.18 0.00 0.04 0.00 0.00 34.50 30.82 1wxt s PRO 65 CO 0.44 -0.57 0.93 0.45 0.04 0.00 0.00 177.00 178.29 1wxt s SER 66 N 1.84 -0.71 0.31 6.66 0.15 -1.26 -5.15 113.70 115.55 1wxt s SER 66 Ca 0.65 0.43 -0.21 0.00 0.70 0.00 0.00 55.95 57.52 1wxt s SER 66 Cb -0.33 1.59 -0.15 0.00 -1.71 0.00 0.00 66.02 65.42 1wxt s SER 66 CO 0.28 -0.13 0.19 -1.54 1.20 0.00 0.00 173.24 173.24 1wxt n SER 67 N 5.46 -2.18 0.00 5.45 3.41 -1.26 -5.27 113.62 119.23 1wxt n SER 67 Ca -0.05 0.82 0.11 0.00 -0.26 0.00 0.00 58.87 59.49 1wxt n SER 67 Cb 0.53 -0.82 0.64 0.00 -0.26 0.00 0.00 64.21 64.30 1wxt n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49