#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wq9 s VAL 2 N 0.00 3.66 -0.33 3.84 1.01 -1.26 -5.00 120.40 122.31 1wq9 s VAL 2 Ca 0.00 1.56 -0.25 0.00 0.00 0.00 0.00 61.98 63.29 1wq9 s VAL 2 Cb 0.00 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1wq9 s VAL 2 CO 0.00 0.29 0.89 -0.60 0.00 0.00 0.00 175.10 175.68 1wq9 s ARG 3 N -1.67 3.93 0.44 2.72 6.06 -1.26 -5.01 118.95 124.16 1wq9 s ARG 3 Ca 0.47 0.66 -0.25 0.00 -2.50 0.00 0.00 55.73 54.12 1wq9 s ARG 3 Cb -0.28 -3.76 -0.08 0.00 0.06 0.00 0.00 34.95 30.89 1wq9 s ARG 3 CO 0.36 -0.82 1.29 -1.25 -2.50 0.00 0.00 175.30 172.38 1wq9 s PRO 4 N 3.27 3.79 0.14 5.12 0.04 -1.26 -4.80 135.00 141.30 1wq9 s PRO 4 Ca 0.37 2.12 -0.31 0.00 0.04 0.00 0.00 61.00 63.22 1wq9 s PRO 4 Cb -0.13 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.72 1wq9 s PRO 4 CO 0.15 -0.63 1.52 0.35 0.04 0.00 0.00 177.00 178.44 1wq9 h PHE 5 N 2.36 -1.76 -1.10 0.56 3.57 -1.99 -0.38 116.94 118.19 1wq9 h PHE 5 Ca -0.50 0.11 0.30 0.00 3.53 0.00 0.00 57.97 61.41 1wq9 h PHE 5 Cb 1.26 0.87 -0.09 0.00 2.79 0.00 0.00 35.95 40.78 1wq9 h PHE 5 CO 0.52 -0.40 0.73 1.37 -2.23 0.00 0.00 178.31 178.30 1wq9 h LEU 6 N -0.14 0.33 -0.16 0.59 -0.00 -1.99 0.50 115.31 114.44 1wq9 h LEU 6 Ca 0.12 0.07 -0.23 0.00 -0.00 0.00 0.00 57.88 57.85 1wq9 h LEU 6 Cb 0.46 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1wq9 h LEU 6 CO -0.78 0.03 -0.89 -0.78 -0.00 0.00 0.00 178.44 176.02 1wq9 h ASP 7 N 0.27 0.74 -0.25 0.17 3.58 -1.46 -1.60 116.42 117.87 1wq9 h ASP 7 Ca 0.62 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1wq9 h ASP 7 Cb 1.80 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.61 1wq9 h ASP 7 CO -0.25 1.34 0.10 0.58 -2.88 0.00 0.00 179.24 178.13 1wq9 h VAL 8 N 0.37 1.16 -0.33 2.25 2.07 0.59 -2.83 116.25 119.53 1wq9 h VAL 8 Ca -0.08 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1wq9 h VAL 8 Cb 1.52 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1wq9 h VAL 8 CO 0.17 0.16 0.18 0.22 0.02 0.00 0.00 177.57 178.32 1wq9 h TYR 9 N 0.25 0.46 -0.94 1.57 3.20 -0.57 -1.86 116.97 119.09 1wq9 h TYR 9 Ca 0.08 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.13 1wq9 h TYR 9 Cb 0.16 -0.15 -0.11 0.00 1.54 0.00 0.00 36.73 38.18 1wq9 h TYR 9 CO -0.01 0.37 0.51 0.37 -1.64 0.00 0.00 178.16 177.77 1wq9 h GLN 10 N 0.41 0.61 0.07 1.82 -0.00 -1.14 -1.39 115.11 115.50 1wq9 h GLN 10 Ca 0.12 -0.04 -0.28 0.00 -0.00 0.00 0.00 58.65 58.45 1wq9 h GLN 10 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.39 1wq9 h GLN 10 CO -0.02 0.40 -1.39 0.00 0.00 0.00 0.00 178.83 177.82 1wq9 h ARG 11 N 0.63 0.15 0.00 1.69 2.47 -1.33 -3.34 114.38 114.65 1wq9 h ARG 11 Ca 0.55 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1wq9 h ARG 11 Cb 0.89 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 1wq9 h ARG 11 CO -0.42 0.99 0.00 0.66 0.56 0.00 0.00 179.97 181.77 1wq9 h SER 12 N 0.04 0.00 -4.08 7.04 4.64 -0.77 -3.47 113.55 116.95 1wq9 h SER 12 Ca -0.18 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.60 1wq9 h SER 12 Cb 1.95 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 64.16 1wq9 h SER 12 CO 0.14 0.00 0.52 0.00 -0.87 0.00 0.00 176.83 176.62 1wq9 s ALA 13 N -3.37 2.61 0.06 5.18 0.00 -0.58 -1.58 121.76 124.07 1wq9 s ALA 13 Ca 0.05 1.13 -0.32 0.00 0.00 0.00 0.00 51.96 52.82 1wq9 s ALA 13 Cb 0.07 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 1wq9 s ALA 13 CO 0.62 -1.27 1.87 0.00 0.00 0.00 0.00 175.76 176.98 1wq9 s GLN 15 N 3.36 0.88 0.19 0.00 -2.07 -0.90 -4.91 119.66 116.22 1wq9 s GLN 15 Ca 0.86 -0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 53.61 1wq9 s GLN 15 Cb -0.53 0.29 -0.08 0.00 -1.09 0.00 0.00 33.01 31.61 1wq9 s GLN 15 CO 0.42 -0.40 0.94 0.95 -1.32 0.00 0.00 175.29 175.87 1wq9 s THR 16 N -2.85 4.23 0.11 3.63 -4.23 -1.26 -1.46 115.64 113.81 1wq9 s THR 16 Ca 0.14 2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 62.60 1wq9 s THR 16 Cb 0.01 -4.32 0.01 0.00 1.34 0.00 0.00 72.50 69.54 1wq9 s THR 16 CO 0.00 0.44 0.28 0.00 -0.54 0.00 0.00 174.62 174.80 1wq9 s ARG 17 N -0.77 0.96 0.01 3.99 1.70 0.34 -4.85 118.95 120.32 1wq9 s ARG 17 Ca 0.43 -0.88 -0.34 0.00 -0.47 0.00 0.00 55.73 54.46 1wq9 s ARG 17 Cb -0.25 0.39 -0.13 0.00 -0.57 0.00 0.00 34.95 34.40 1wq9 s ARG 17 CO 0.31 -0.34 1.74 -1.91 -1.08 0.00 0.00 175.30 174.02 1wq9 n GLU 18 N -0.14 2.10 -4.01 3.89 2.13 -1.26 -1.48 120.64 121.87 1wq9 n GLU 18 Ca -0.15 0.76 -0.17 0.00 0.66 0.00 0.00 57.16 58.27 1wq9 n GLU 18 Cb 0.63 -2.57 -0.16 0.00 0.27 0.00 0.00 31.44 29.62 1wq9 n GLU 18 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1wq9 s THR 19 N 2.70 0.27 -0.04 6.31 2.01 0.83 -4.90 115.64 122.81 1wq9 s THR 19 Ca 0.87 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 62.59 1wq9 s THR 19 Cb -0.71 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1wq9 s THR 19 CO 0.47 0.13 0.77 -0.76 -0.69 0.00 0.00 174.62 174.54 1wq9 s LEU 20 N 0.62 4.34 -0.02 4.42 1.43 -1.26 -0.37 118.68 127.84 1wq9 s LEU 20 Ca -0.07 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1wq9 s LEU 20 Cb -0.10 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1wq9 s LEU 20 CO -0.01 -0.13 -0.07 0.68 0.23 0.00 0.00 176.35 177.04 1wq9 s VAL 21 N 0.75 0.65 0.49 -1.59 -7.23 -0.21 -4.97 120.40 108.30 1wq9 s VAL 21 Ca 0.41 -0.29 -0.18 0.00 -1.81 0.00 0.00 61.98 60.11 1wq9 s VAL 21 Cb -0.19 -0.58 -0.09 0.00 0.56 0.00 0.00 36.38 36.08 1wq9 s VAL 21 CO 0.21 0.21 0.98 -0.94 -0.31 0.00 0.00 175.10 175.25 1wq9 s SER 22 N 0.20 6.66 0.39 4.85 1.04 -1.26 -1.08 113.70 124.50 1wq9 s SER 22 Ca -0.03 1.64 0.07 0.00 0.48 0.00 0.00 55.95 58.12 1wq9 s SER 22 Cb -0.08 -2.52 0.80 0.00 0.10 0.00 0.00 66.02 64.33 1wq9 s SER 22 CO 0.00 -0.56 2.00 0.40 0.98 0.00 0.00 173.24 176.07 1wq9 h ILE 23 N 1.25 1.13 -0.44 -1.02 5.03 -1.61 -2.61 117.51 119.25 1wq9 h ILE 23 Ca -0.48 -0.39 -0.08 0.00 -0.12 0.00 0.00 64.86 63.80 1wq9 h ILE 23 Cb 1.19 0.70 -0.02 0.00 -3.03 0.00 0.00 36.82 35.66 1wq9 h ILE 23 CO 0.61 0.15 -0.03 -0.07 -0.68 0.00 0.00 178.15 178.13 1wq9 h LEU 24 N 0.49 0.71 -0.50 1.44 3.38 -1.80 0.16 115.31 119.18 1wq9 h LEU 24 Ca 0.12 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1wq9 h LEU 24 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1wq9 h LEU 24 CO -0.01 0.80 -0.67 0.06 0.09 0.00 0.00 178.44 178.71 1wq9 h GLN 25 N 0.69 0.00 0.00 1.13 3.07 -1.86 -2.35 115.11 115.79 1wq9 h GLN 25 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.84 1wq9 h GLN 25 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 1wq9 h GLN 25 CO 0.02 0.67 -0.94 0.93 0.09 0.00 0.00 178.83 179.60 1wq9 h GLU 26 N 0.00 0.00 -1.95 0.06 4.39 -1.21 -3.40 114.58 112.47 1wq9 h GLU 26 Ca -0.01 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1wq9 h GLU 26 Cb 1.28 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 29.55 1wq9 h GLU 26 CO 0.09 0.06 -1.07 0.72 -1.16 0.00 0.00 179.01 177.65 1wq9 n HIS 27 N -2.78 -0.58 0.07 4.33 8.25 0.53 -5.01 115.22 120.04 1wq9 n HIS 27 Ca -0.01 -3.44 0.20 0.00 -0.26 0.00 0.00 57.72 54.21 1wq9 n HIS 27 Cb 0.60 -0.19 0.74 0.00 1.12 0.00 0.00 29.99 32.27 1wq9 n HIS 27 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1wq9 h PRO 28 N 4.19 0.00 0.00 -0.41 0.11 -1.64 -0.67 132.00 133.59 1wq9 h PRO 28 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1wq9 h PRO 28 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1wq9 h PRO 28 CO 0.44 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.61 1wq9 h ASP 29 N 0.00 0.00 -0.22 -2.05 2.03 -1.94 -3.37 116.42 110.87 1wq9 h ASP 29 Ca 0.20 0.00 -0.72 0.00 -0.73 0.00 0.00 57.03 55.78 1wq9 h ASP 29 Cb 0.98 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.42 1wq9 h ASP 29 CO -0.00 0.00 2.96 -0.62 -1.03 0.00 0.00 179.24 180.55 1wq9 n GLU 30 N -2.43 2.97 -0.00 4.15 -0.58 -0.26 -4.61 120.64 119.88 1wq9 n GLU 30 Ca 0.04 -2.75 0.10 0.00 -0.42 0.00 0.00 57.16 54.14 1wq9 n GLU 30 Cb 0.39 -3.24 -0.11 0.00 -0.57 0.00 0.00 31.44 27.91 1wq9 n GLU 30 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1wq9 n ILE 31 N 4.86 0.00 -0.04 -3.67 -5.35 -1.26 -4.60 119.36 109.29 1wq9 n ILE 31 Ca 0.50 -0.04 -0.10 0.00 -0.27 0.00 0.00 62.75 62.84 1wq9 n ILE 31 Cb 0.39 0.88 -0.15 0.00 -1.74 0.00 0.00 39.64 39.02 1wq9 n ILE 31 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1wq9 n SER 32 N -1.57 0.69 -5.01 7.28 3.41 -1.26 -4.99 113.62 112.17 1wq9 n SER 32 Ca 0.03 0.28 -0.17 0.00 -0.26 0.00 0.00 58.87 58.75 1wq9 n SER 32 Cb 0.35 0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 1wq9 n SER 32 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wq9 s ASP 33 N -5.96 5.56 -0.10 4.04 1.01 -1.26 -4.59 116.67 115.37 1wq9 s ASP 33 Ca -0.07 -0.49 -0.01 0.00 0.71 0.00 0.00 52.55 52.68 1wq9 s ASP 33 Cb 0.07 -0.51 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 1wq9 s ASP 33 CO 0.82 -0.85 -0.05 -0.63 0.21 0.00 0.00 175.17 174.67 1wq9 s ILE 34 N -2.40 3.84 0.00 0.77 1.01 0.24 -4.94 121.20 119.72 1wq9 s ILE 34 Ca 0.56 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.86 1wq9 s ILE 34 Cb -0.09 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1wq9 s ILE 34 CO 0.34 0.56 -0.17 -0.36 0.00 0.00 0.00 174.94 175.31 1wq9 s PHE 35 N -0.41 2.60 -0.16 3.97 0.08 -1.26 0.99 117.98 123.79 1wq9 s PHE 35 Ca 0.06 -0.23 -0.00 0.00 0.12 0.00 0.00 56.93 56.88 1wq9 s PHE 35 Cb -0.12 -1.53 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1wq9 s PHE 35 CO 0.02 0.20 -0.06 1.03 -0.10 0.00 0.00 175.22 176.32 1wq9 s ARG 36 N -1.11 1.49 0.83 0.44 0.52 -0.47 -2.69 118.95 117.96 1wq9 s ARG 36 Ca 0.13 -0.51 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 1wq9 s ARG 36 Cb -0.10 -1.99 0.09 0.00 0.52 0.00 0.00 34.95 33.46 1wq9 s ARG 36 CO 0.03 -0.41 1.11 -1.25 0.02 0.00 0.00 175.30 174.79 1wq9 s PRO 37 N 1.63 1.83 0.00 3.54 0.04 -1.26 -1.26 135.00 139.51 1wq9 s PRO 37 Ca 0.01 0.56 0.28 0.00 0.04 0.00 0.00 61.00 61.89 1wq9 s PRO 37 Cb -0.15 -1.90 1.12 0.00 0.04 0.00 0.00 34.50 33.61 1wq9 s PRO 37 CO -0.08 -1.78 1.79 -1.13 0.04 0.00 0.00 177.00 175.85 1wq9 n SER 38 N -3.53 0.61 -4.14 6.66 3.41 -1.09 -4.85 113.62 110.69 1wq9 n SER 38 Ca 0.07 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 57.93 1wq9 n SER 38 Cb 0.57 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 1wq9 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wq9 s VAL 40 N -3.87 0.19 -0.21 0.00 -7.23 -0.24 -4.91 120.40 104.13 1wq9 s VAL 40 Ca 0.14 -1.53 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 1wq9 s VAL 40 Cb 0.07 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1wq9 s VAL 40 CO -0.05 -0.84 0.16 0.00 -0.31 0.00 0.00 175.10 174.06 1wq9 s ALA 41 N -3.22 3.66 0.06 1.32 0.00 -1.26 -1.04 121.76 121.27 1wq9 s ALA 41 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1wq9 s ALA 41 Cb 0.03 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1wq9 s ALA 41 CO -0.07 0.05 -0.02 0.14 0.00 0.00 0.00 175.76 175.85 1wq9 s VAL 42 N 0.58 0.21 -0.27 0.00 -7.23 0.50 -4.87 120.40 109.32 1wq9 s VAL 42 Ca 0.09 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 1wq9 s VAL 42 Cb -0.12 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.28 1wq9 s VAL 42 CO 0.00 -0.96 1.07 -0.76 -0.31 0.00 0.00 175.10 174.15 1wq9 s LEU 43 N -2.93 4.02 0.05 1.32 1.02 -1.26 -0.12 118.68 120.79 1wq9 s LEU 43 Ca 0.08 1.25 0.03 0.00 0.02 0.00 0.00 54.13 55.51 1wq9 s LEU 43 Cb 0.08 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.72 1wq9 s LEU 43 CO -0.09 -0.78 -0.09 -0.13 0.02 0.00 0.00 176.35 175.28 1wq9 s ARG 44 N 3.44 0.60 0.11 1.70 1.81 -0.55 0.22 118.95 126.28 1wq9 s ARG 44 Ca 0.46 -0.83 -0.31 0.00 -1.72 0.00 0.00 55.73 53.33 1wq9 s ARG 44 Cb -0.14 -0.39 -0.07 0.00 -0.45 0.00 0.00 34.95 33.90 1wq9 s ARG 44 CO 0.11 0.07 1.29 0.00 -0.68 0.00 0.00 175.30 176.09 1wq9 s SER 46 N 0.91 -0.50 0.00 0.00 1.04 -0.53 -4.90 113.70 109.71 1wq9 s SER 46 Ca 0.60 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1wq9 s SER 46 Cb -0.34 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wq9 s SER 46 CO 0.31 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1wq9 n GLY 47 N 0.46 3.04 3.40 7.32 0.00 -1.26 -2.11 105.19 116.04 1wq9 n GLY 47 Ca -0.14 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1wq9 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wq9 h THR 50 N 3.18 0.68 -3.40 0.00 2.02 -1.97 -3.30 112.91 110.12 1wq9 h THR 50 Ca -0.49 -0.20 -0.60 0.00 0.77 0.00 0.00 66.41 65.89 1wq9 h THR 50 Cb 1.23 0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 67.58 1wq9 h THR 50 CO 0.70 0.10 0.60 -0.62 0.37 0.00 0.00 175.52 176.68 1wq9 s ASP 51 N -5.38 6.42 0.34 4.18 -1.08 -1.26 -4.91 116.67 114.97 1wq9 s ASP 51 Ca -0.12 -0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.01 1wq9 s ASP 51 Cb 0.22 -2.45 1.15 0.00 -1.46 0.00 0.00 42.92 40.38 1wq9 s ASP 51 CO 0.78 -1.17 1.63 1.05 0.52 0.00 0.00 175.17 177.98 1wq9 h GLU 52 N 9.23 0.00 -0.01 4.34 9.09 -1.98 0.67 114.58 135.92 1wq9 h GLU 52 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.16 1wq9 h GLU 52 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1wq9 h GLU 52 CO 1.07 0.00 -0.04 -1.13 0.05 0.00 0.00 179.01 178.96 1wq9 n SER 53 N -2.26 0.84 -4.86 3.06 3.41 -1.26 -4.85 113.62 107.69 1wq9 n SER 53 Ca -0.01 -1.13 -0.31 0.00 -0.26 0.00 0.00 58.87 57.16 1wq9 n SER 53 Cb 0.08 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 1wq9 n SER 53 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1wq9 s MET 54 N -2.13 3.20 0.02 4.33 -1.94 0.23 -2.92 119.30 120.09 1wq9 s MET 54 Ca 0.38 -0.55 0.07 0.00 -1.71 0.00 0.00 55.69 53.88 1wq9 s MET 54 Cb 0.21 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 1wq9 s MET 54 CO 0.39 0.59 -0.21 -1.59 -0.01 0.00 0.00 175.02 174.18 1wq9 s LYS 55 N -2.47 1.53 -0.25 2.03 -2.85 0.11 -4.58 119.74 113.25 1wq9 s LYS 55 Ca 0.33 -0.90 -0.29 0.00 -1.00 0.00 0.00 55.97 54.11 1wq9 s LYS 55 Cb -0.13 -1.59 -0.02 0.00 -2.06 0.00 0.00 37.83 34.03 1wq9 s LYS 55 CO 0.25 0.42 1.60 0.00 0.10 0.00 0.00 175.35 177.72 1wq9 s THR 57 N 5.30 1.66 0.47 0.00 2.01 -0.06 -4.71 115.64 120.31 1wq9 s THR 57 Ca 0.70 -1.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1wq9 s THR 57 Cb -0.23 -1.42 -0.07 0.00 0.01 0.00 0.00 72.50 70.79 1wq9 s THR 57 CO 0.29 0.32 1.26 -2.16 -0.69 0.00 0.00 174.62 173.65 1wq9 s PRO 58 N -0.87 3.65 0.00 4.92 0.04 -1.26 -0.83 135.00 140.65 1wq9 s PRO 58 Ca 0.08 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1wq9 s PRO 58 Cb -0.08 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1wq9 s PRO 58 CO 0.01 -0.71 0.53 1.33 0.04 0.00 0.00 177.00 178.20 1wq9 n VAL 59 N -0.45 0.22 -3.60 -0.36 0.24 0.16 -4.82 118.33 109.72 1wq9 n VAL 59 Ca 0.07 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 1wq9 n VAL 59 Cb 0.46 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.82 1wq9 n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wq9 s GLY 60 N -0.22 -0.35 0.13 7.63 0.00 -1.24 -4.91 107.32 108.36 1wq9 s GLY 60 Ca 0.00 2.11 0.05 0.00 0.00 0.00 0.00 44.72 46.88 1wq9 s GLY 60 CO 0.00 1.44 -0.12 0.54 0.00 0.00 0.00 173.10 174.95 1wq9 s LYS 61 N -0.36 1.02 0.34 2.90 1.02 -1.26 0.03 119.74 123.42 1wq9 s LYS 61 Ca -0.02 -1.29 -0.04 0.00 0.02 0.00 0.00 55.97 54.64 1wq9 s LYS 61 Cb -0.03 -0.79 0.02 0.00 -0.52 0.00 0.00 37.83 36.51 1wq9 s LYS 61 CO 0.01 0.13 0.53 -2.39 -0.92 0.00 0.00 175.35 172.71 1wq9 n HIS 62 N 0.32 -1.60 -4.43 3.18 1.44 -0.54 -4.78 115.22 108.81 1wq9 n HIS 62 Ca -0.14 -2.12 -0.22 0.00 -2.01 0.00 0.00 57.72 53.23 1wq9 n HIS 62 Cb 0.58 0.60 -0.10 0.00 0.12 0.00 0.00 29.99 31.19 1wq9 n HIS 62 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1wq9 s THR 63 N -2.66 2.14 -0.02 0.61 -4.23 -1.26 -0.73 115.64 109.49 1wq9 s THR 63 Ca 0.25 -2.31 0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1wq9 s THR 63 Cb -0.02 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1wq9 s THR 63 CO 0.18 -0.45 -0.07 0.00 -0.54 0.00 0.00 174.62 173.74 1wq9 s ALA 64 N -2.72 0.67 -0.21 3.99 0.00 0.49 -4.89 121.76 119.09 1wq9 s ALA 64 Ca 0.27 -0.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 1wq9 s ALA 64 Cb -0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1wq9 s ALA 64 CO 0.12 0.11 0.27 -0.51 0.00 0.00 0.00 175.76 175.75 1wq9 s ASP 65 N 0.17 6.30 -0.03 0.00 1.01 -1.26 -0.60 116.67 122.26 1wq9 s ASP 65 Ca -0.02 0.35 0.05 0.00 0.71 0.00 0.00 52.55 53.64 1wq9 s ASP 65 Cb -0.07 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1wq9 s ASP 65 CO 0.00 0.03 -0.20 -0.63 0.21 0.00 0.00 175.17 174.58 1wq9 s ILE 66 N 1.00 1.59 -0.13 0.77 1.01 0.82 -4.93 121.20 121.33 1wq9 s ILE 66 Ca 0.14 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 1wq9 s ILE 66 Cb -0.14 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1wq9 s ILE 66 CO 0.05 0.45 0.70 -1.58 0.00 0.00 0.00 174.94 174.57 1wq9 s GLN 67 N -0.23 4.33 0.12 2.79 0.74 -1.26 -0.35 119.66 125.80 1wq9 s GLN 67 Ca 0.02 0.82 0.02 0.00 0.05 0.00 0.00 55.36 56.27 1wq9 s GLN 67 Cb -0.10 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 1wq9 s GLN 67 CO 0.01 -0.12 -0.07 0.42 -0.55 0.00 0.00 175.29 174.98 1wq9 s ILE 68 N 1.45 0.83 -0.22 -2.34 1.01 0.13 -4.95 121.20 117.10 1wq9 s ILE 68 Ca 0.35 -1.97 -0.11 0.00 0.00 0.00 0.00 60.65 58.91 1wq9 s ILE 68 Cb -0.17 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 1wq9 s ILE 68 CO 0.14 -0.82 0.18 -0.32 0.00 0.00 0.00 174.94 174.12 1wq9 s MET 69 N -3.81 4.12 -0.23 2.79 -2.45 -0.39 -0.87 119.30 118.45 1wq9 s MET 69 Ca 0.14 -0.20 -0.07 0.00 -1.25 0.00 0.00 55.69 54.30 1wq9 s MET 69 Cb 0.05 -3.50 -0.03 0.00 1.25 0.00 0.00 34.83 32.59 1wq9 s MET 69 CO -0.03 0.12 0.07 0.50 1.05 0.00 0.00 175.02 176.74 1wq9 s ARG 70 N 0.87 3.75 -0.22 4.11 3.52 -0.46 -1.36 118.95 129.17 1wq9 s ARG 70 Ca 0.09 -0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1wq9 s ARG 70 Cb -0.13 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1wq9 s ARG 70 CO 0.03 -0.06 0.01 1.41 -0.81 0.00 0.00 175.30 175.88 1wq9 s MET 71 N 1.28 3.60 -0.40 5.12 1.75 0.28 -2.13 119.30 128.80 1wq9 s MET 71 Ca 0.05 -0.52 -0.20 0.00 -1.25 0.00 0.00 55.69 53.77 1wq9 s MET 71 Cb -0.15 -3.13 0.01 0.00 2.84 0.00 0.00 34.83 34.40 1wq9 s MET 71 CO 0.04 -0.06 0.61 1.21 -0.65 0.00 0.00 175.02 176.17 1wq9 s ASN 72 N 1.21 6.34 0.00 1.11 3.84 0.17 -0.59 114.94 127.03 1wq9 s ASN 72 Ca 0.03 -0.18 0.16 0.00 0.21 0.00 0.00 52.86 53.08 1wq9 s ASN 72 Cb -0.15 -2.31 0.82 0.00 -0.55 0.00 0.00 41.25 39.07 1wq9 s ASN 72 CO 0.01 -0.68 1.43 -0.81 -2.79 0.00 0.00 177.10 174.27 1wq9 n PRO 73 N 6.10 0.28 -0.11 0.43 -0.04 -1.26 0.41 135.00 140.82 1wq9 n PRO 73 Ca -0.02 0.11 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 1wq9 n PRO 73 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1wq9 n PRO 73 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wq9 n ARG 74 N -1.23 0.48 0.04 0.54 1.74 -1.26 -4.52 116.66 112.44 1wq9 n ARG 74 Ca 0.08 0.16 0.12 0.00 -0.77 0.00 0.00 57.85 57.44 1wq9 n ARG 74 Cb 0.11 -1.33 0.19 0.00 -1.02 0.00 0.00 32.46 30.41 1wq9 n ARG 74 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wq9 n THR 75 N -3.56 0.21 -1.08 0.55 -2.24 -1.20 -4.94 114.28 102.02 1wq9 n THR 75 Ca -0.40 -0.18 -0.03 0.00 -2.27 0.00 0.00 64.05 61.18 1wq9 n THR 75 Cb 0.84 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 1wq9 n THR 75 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1wq9 n HIS 76 N -1.89 0.00 -2.68 4.78 8.25 0.17 -4.98 115.22 118.87 1wq9 n HIS 76 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 1wq9 n HIS 76 Cb 0.40 -1.73 -0.01 0.00 1.12 0.00 0.00 29.99 29.77 1wq9 n HIS 76 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wq9 s SER 77 N -2.15 6.31 -0.22 0.41 1.04 -1.23 -4.84 113.70 113.03 1wq9 s SER 77 Ca 0.00 0.96 -0.04 0.00 0.48 0.00 0.00 55.95 57.35 1wq9 s SER 77 Cb 0.00 -2.26 0.11 0.00 0.10 0.00 0.00 66.02 63.97 1wq9 s SER 77 CO 0.00 -0.54 0.35 -0.94 0.98 0.00 0.00 173.24 173.09 1wq9 s SER 78 N -3.92 0.31 0.17 7.02 1.04 -1.26 -0.65 113.70 116.42 1wq9 s SER 78 Ca 0.48 0.36 0.03 0.00 0.48 0.00 0.00 55.95 57.30 1wq9 s SER 78 Cb -0.10 1.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.98 1wq9 s SER 78 CO 0.42 -0.28 -0.04 -1.59 0.98 0.00 0.00 173.24 172.73 1wq9 s LYS 79 N 2.51 1.12 0.47 4.02 0.00 -0.91 -4.92 119.74 122.04 1wq9 s LYS 79 Ca 0.08 -1.52 -0.21 0.00 0.00 0.00 0.00 55.97 54.32 1wq9 s LYS 79 Cb -0.14 -0.45 -0.09 0.00 0.00 0.00 0.00 37.83 37.15 1wq9 s LYS 79 CO -0.14 -0.05 1.03 -1.64 0.00 0.00 0.00 175.35 174.55 1wq9 s MET 80 N -3.85 3.89 0.02 1.78 -1.94 -1.26 -1.35 119.30 116.60 1wq9 s MET 80 Ca 0.22 1.35 -0.28 0.00 -1.71 0.00 0.00 55.69 55.26 1wq9 s MET 80 Cb 0.05 -2.15 0.07 0.00 2.01 0.00 0.00 34.83 34.81 1wq9 s MET 80 CO 0.03 -0.35 0.66 -1.83 -0.01 0.00 0.00 175.02 173.52 1wq9 s GLU 81 N -3.15 1.12 -0.10 2.03 -1.05 -0.05 -4.91 118.70 112.59 1wq9 s GLU 81 Ca 0.66 -0.00 -0.20 0.00 -0.15 0.00 0.00 54.97 55.27 1wq9 s GLU 81 Cb -0.16 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1wq9 s GLU 81 CO 0.20 -0.41 0.57 0.08 0.95 0.00 0.00 175.26 176.65 1wq9 s VAL 82 N -2.10 5.13 -0.02 1.83 1.01 -1.26 -0.69 120.40 124.30 1wq9 s VAL 82 Ca -0.06 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.12 1wq9 s VAL 82 Cb -0.00 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1wq9 s VAL 82 CO 0.02 0.29 -0.18 -0.32 0.00 0.00 0.00 175.10 174.91 1wq9 s MET 83 N 0.75 1.49 -0.07 2.72 1.75 0.53 -4.93 119.30 121.55 1wq9 s MET 83 Ca 0.31 -0.63 -0.08 0.00 -1.25 0.00 0.00 55.69 54.04 1wq9 s MET 83 Cb -0.16 -1.42 -0.04 0.00 2.84 0.00 0.00 34.83 36.05 1wq9 s MET 83 CO 0.13 0.36 0.21 0.15 -0.65 0.00 0.00 175.02 175.22 1wq9 s LYS 84 N -0.35 3.54 0.06 4.11 1.02 -1.26 -0.13 119.74 126.72 1wq9 s LYS 84 Ca 0.05 -0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.02 1wq9 s LYS 84 Cb -0.08 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1wq9 s LYS 84 CO -0.00 0.73 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.98 1wq9 s PHE 85 N -1.12 0.99 0.20 3.18 0.40 0.23 -4.96 117.98 116.90 1wq9 s PHE 85 Ca 0.20 -0.47 -0.20 0.00 -0.60 0.00 0.00 56.93 55.86 1wq9 s PHE 85 Cb -0.13 -0.57 -0.08 0.00 0.51 0.00 0.00 43.02 42.75 1wq9 s PHE 85 CO 0.09 -0.00 0.72 1.41 0.70 0.00 0.00 175.22 178.14 1wq9 s MET 86 N -1.63 4.30 0.14 0.44 -2.45 -1.26 -0.38 119.30 118.46 1wq9 s MET 86 Ca -0.05 0.90 0.04 0.00 -1.25 0.00 0.00 55.69 55.33 1wq9 s MET 86 Cb -0.10 -2.97 -0.04 0.00 1.25 0.00 0.00 34.83 32.97 1wq9 s MET 86 CO 0.01 0.44 -0.08 -1.21 1.05 0.00 0.00 175.02 175.24 1wq9 s GLU 87 N -1.78 1.03 -0.12 4.11 2.02 0.09 -4.80 118.70 119.25 1wq9 s GLU 87 Ca 0.41 -1.45 -0.15 0.00 0.02 0.00 0.00 54.97 53.80 1wq9 s GLU 87 Cb -0.18 -0.51 -0.05 0.00 0.10 0.00 0.00 34.13 33.50 1wq9 s GLU 87 CO 0.22 0.03 0.35 -1.01 0.02 0.00 0.00 175.26 174.86 1wq9 s HIS 88 N -3.42 3.53 -0.02 1.61 3.76 0.13 -1.47 115.29 119.42 1wq9 s HIS 88 Ca 0.17 0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 55.73 1wq9 s HIS 88 Cb 0.04 -2.35 -0.30 0.00 1.11 0.00 0.00 32.58 31.08 1wq9 s HIS 88 CO 0.00 0.33 0.78 1.15 -0.85 0.00 0.00 174.74 176.16 1wq9 h THR 89 N 4.46 1.07 -3.10 1.30 2.02 -0.71 -3.43 112.91 114.52 1wq9 h THR 89 Ca -0.44 -2.66 0.01 0.00 0.77 0.00 0.00 66.41 64.09 1wq9 h THR 89 Cb 1.18 2.79 -0.09 0.00 -1.74 0.00 0.00 68.15 70.29 1wq9 h THR 89 CO 0.72 0.83 0.16 0.00 0.37 0.00 0.00 175.52 177.60 1wq9 s ALA 90 N -2.60 -1.27 0.24 6.16 0.00 -1.24 -4.93 121.76 118.12 1wq9 s ALA 90 Ca -0.12 0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1wq9 s ALA 90 Cb 0.06 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 1wq9 s ALA 90 CO 0.86 -0.87 0.10 0.00 0.00 0.00 0.00 175.76 175.85 1wq9 s GLU 92 N -4.06 0.94 -0.22 0.00 2.12 -0.01 -4.82 118.70 112.65 1wq9 s GLU 92 Ca 0.37 0.20 -0.23 0.00 0.36 0.00 0.00 54.97 55.67 1wq9 s GLU 92 Cb 0.08 0.44 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 1wq9 s GLU 92 CO 0.13 -0.28 0.75 0.00 -0.54 0.00 0.00 175.26 175.32 1wq9 s ARG 94 N 2.43 0.75 0.20 0.00 0.52 -0.68 -4.87 118.95 117.30 1wq9 s ARG 94 Ca 0.33 -0.62 -0.32 0.00 -0.52 0.00 0.00 55.73 54.59 1wq9 s ARG 94 Cb -0.16 -0.69 -0.12 0.00 0.52 0.00 0.00 34.95 34.50 1wq9 s ARG 94 CO 0.09 0.17 1.72 -1.25 0.02 0.00 0.00 175.30 176.05 1wq9 s PRO 95 N -0.98 4.13 0.00 3.54 0.04 -1.26 0.05 135.00 140.51 1wq9 s PRO 95 Ca -0.01 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1wq9 s PRO 95 Cb -0.07 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1wq9 s PRO 95 CO 0.01 -0.75 0.00 0.00 0.04 0.00 0.00 177.00 176.30