#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wq9 s ARG 3 N 0.00 4.03 0.43 5.55 3.52 -1.26 -4.96 118.95 126.26 1wq9 s ARG 3 Ca 0.00 1.73 -0.25 0.00 -0.13 0.00 0.00 55.73 57.08 1wq9 s ARG 3 Cb 0.00 -3.92 -0.08 0.00 -1.56 0.00 0.00 34.95 29.38 1wq9 s ARG 3 CO 0.00 -0.99 1.35 -1.25 -0.81 0.00 0.00 175.30 173.60 1wq9 s PRO 4 N 4.11 3.82 0.25 5.12 0.04 -1.26 -4.80 135.00 142.29 1wq9 s PRO 4 Ca 0.65 2.25 -0.07 0.00 0.04 0.00 0.00 61.00 63.88 1wq9 s PRO 4 Cb -0.25 -2.69 0.43 0.00 0.04 0.00 0.00 34.50 32.03 1wq9 s PRO 4 CO 0.24 -0.65 1.39 0.34 0.04 0.00 0.00 177.00 178.37 1wq9 n PHE 5 N -0.05 0.34 -0.14 0.56 7.35 -1.26 -0.23 117.46 124.03 1wq9 n PHE 5 Ca 0.05 1.09 -0.03 0.00 -0.76 0.00 0.00 57.45 57.79 1wq9 n PHE 5 Cb 0.43 -1.03 0.18 0.00 0.35 0.00 0.00 39.48 39.41 1wq9 n PHE 5 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1wq9 h LEU 6 N 0.00 0.79 -1.46 -2.13 3.38 -2.00 -1.18 115.31 112.72 1wq9 h LEU 6 Ca 0.44 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1wq9 h LEU 6 Cb 0.68 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1wq9 h LEU 6 CO -0.91 0.78 -0.27 0.44 0.09 0.00 0.00 178.44 178.56 1wq9 h ASP 7 N 0.81 0.00 0.06 -0.43 3.45 -0.96 -1.06 116.42 118.29 1wq9 h ASP 7 Ca 0.18 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1wq9 h ASP 7 Cb 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1wq9 h ASP 7 CO 0.00 0.27 -0.03 0.58 -1.57 0.00 0.00 179.24 178.50 1wq9 h VAL 8 N 0.00 1.25 -0.37 -1.35 2.07 -0.52 -3.15 116.25 114.18 1wq9 h VAL 8 Ca -0.00 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1wq9 h VAL 8 Cb 0.49 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1wq9 h VAL 8 CO 0.04 0.28 0.09 1.88 0.02 0.00 0.00 177.57 179.88 1wq9 h TYR 9 N -0.61 0.54 -0.67 1.57 -1.99 -1.13 -0.97 116.97 113.71 1wq9 h TYR 9 Ca -0.01 -0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.78 1wq9 h TYR 9 Cb 0.53 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.05 1wq9 h TYR 9 CO 0.10 0.47 0.45 0.37 -0.00 0.00 0.00 178.16 179.54 1wq9 h GLN 10 N 0.53 0.56 0.02 4.88 5.75 -1.18 -1.80 115.11 123.86 1wq9 h GLN 10 Ca 0.12 -0.03 -0.35 0.00 -0.15 0.00 0.00 58.65 58.24 1wq9 h GLN 10 Cb 0.20 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 1wq9 h GLN 10 CO -0.00 0.37 -2.18 0.54 -2.65 0.00 0.00 178.83 174.91 1wq9 n ARG 11 N -4.48 0.68 0.14 1.69 5.12 -0.99 -4.44 116.66 114.37 1wq9 n ARG 11 Ca 0.11 0.14 -0.01 0.00 -1.93 0.00 0.00 57.85 56.15 1wq9 n ARG 11 Cb 0.32 -1.62 0.19 0.00 -1.16 0.00 0.00 32.46 30.19 1wq9 n ARG 11 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1wq9 h SER 12 N 0.01 0.03 -3.20 0.55 0.02 -1.01 -3.47 113.55 106.48 1wq9 h SER 12 Ca -0.47 -0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 59.89 1wq9 h SER 12 Cb 2.09 -0.01 0.15 0.00 0.14 0.00 0.00 62.40 64.77 1wq9 h SER 12 CO 0.03 0.61 0.05 0.00 -1.14 0.00 0.00 176.83 176.37 1wq9 n ALA 13 N -2.43 -0.07 -1.71 3.77 0.00 -0.69 -1.43 120.51 117.94 1wq9 n ALA 13 Ca -0.01 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1wq9 n ALA 13 Cb 0.59 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 1wq9 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wq9 s GLN 15 N 1.65 0.45 0.16 0.00 -2.07 -1.05 -4.89 119.66 113.92 1wq9 s GLN 15 Ca 0.77 -0.27 -0.29 0.00 -1.82 0.00 0.00 55.36 53.75 1wq9 s GLN 15 Cb -0.49 0.14 -0.07 0.00 -1.09 0.00 0.00 33.01 31.50 1wq9 s GLN 15 CO 0.33 -0.21 0.93 0.95 -1.32 0.00 0.00 175.29 175.98 1wq9 s THR 16 N -2.33 4.34 0.07 3.63 -4.23 -1.26 -1.70 115.64 114.16 1wq9 s THR 16 Ca 0.18 2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 62.62 1wq9 s THR 16 Cb 0.03 -4.31 0.01 0.00 1.34 0.00 0.00 72.50 69.57 1wq9 s THR 16 CO -0.03 0.40 0.25 0.00 -0.54 0.00 0.00 174.62 174.70 1wq9 s ARG 17 N -0.52 0.82 -0.00 3.99 1.70 -0.19 -4.87 118.95 119.88 1wq9 s ARG 17 Ca 0.44 -0.72 -0.35 0.00 -0.47 0.00 0.00 55.73 54.62 1wq9 s ARG 17 Cb -0.24 0.35 -0.14 0.00 -0.57 0.00 0.00 34.95 34.35 1wq9 s ARG 17 CO 0.30 -0.27 1.68 -1.91 -1.08 0.00 0.00 175.30 174.03 1wq9 n GLU 18 N 0.28 1.89 -3.99 3.89 2.13 -1.26 -1.46 120.64 122.13 1wq9 n GLU 18 Ca -0.17 0.69 -0.17 0.00 0.66 0.00 0.00 57.16 58.16 1wq9 n GLU 18 Cb 0.61 -2.46 -0.16 0.00 0.27 0.00 0.00 31.44 29.70 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 2.40 0.25 0.11 6.31 2.01 0.83 -4.89 115.64 122.66 1wq9 s THR 19 Ca 0.87 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 62.62 1wq9 s THR 19 Cb -0.77 -0.32 -0.06 0.00 0.01 0.00 0.00 72.50 71.35 1wq9 s THR 19 CO 0.48 0.15 0.90 -0.76 -0.69 0.00 0.00 174.62 174.70 1wq9 s LEU 20 N 0.92 4.51 0.02 4.42 1.43 -1.26 -1.05 118.68 127.66 1wq9 s LEU 20 Ca -0.10 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 1wq9 s LEU 20 Cb -0.13 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1wq9 s LEU 20 CO -0.01 -0.01 -0.10 0.68 0.23 0.00 0.00 176.35 177.15 1wq9 s VAL 21 N -0.20 0.73 0.12 -1.59 -7.23 -0.30 -4.97 120.40 106.96 1wq9 s VAL 21 Ca 0.44 -0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 59.58 1wq9 s VAL 21 Cb -0.23 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 1wq9 s VAL 21 CO 0.28 -0.03 0.92 -0.55 -0.31 0.00 0.00 175.10 175.41 1wq9 s SER 22 N -0.85 7.47 0.10 4.85 0.15 -1.26 -1.38 113.70 122.77 1wq9 s SER 22 Ca -0.01 1.75 -0.20 0.00 0.70 0.00 0.00 55.95 58.19 1wq9 s SER 22 Cb -0.06 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.58 1wq9 s SER 22 CO 0.00 -0.01 1.67 0.40 1.20 0.00 0.00 173.24 176.50 1wq9 h ILE 23 N 3.91 1.12 0.00 6.45 2.04 -1.49 0.05 117.51 129.59 1wq9 h ILE 23 Ca -0.43 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1wq9 h ILE 23 Cb 1.21 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1wq9 h ILE 23 CO 0.71 0.11 -0.13 -0.07 0.00 0.00 0.00 178.15 178.77 1wq9 h LEU 24 N 0.15 0.00 -0.06 1.44 3.38 -1.83 0.70 115.31 119.10 1wq9 h LEU 24 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1wq9 h LEU 24 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1wq9 h LEU 24 CO -0.01 0.13 -0.55 1.56 0.09 0.00 0.00 178.44 179.66 1wq9 h GLN 25 N 0.00 0.48 -0.02 1.13 7.50 -1.79 -2.89 115.11 119.52 1wq9 h GLN 25 Ca -0.00 -0.44 -0.13 0.00 0.50 0.00 0.00 58.65 58.58 1wq9 h GLN 25 Cb 0.26 0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.88 1wq9 h GLN 25 CO 0.02 1.08 -0.59 0.93 -1.50 0.00 0.00 178.83 178.76 1wq9 h GLU 26 N 0.03 0.06 -2.37 1.46 4.39 -0.56 -3.34 114.58 114.25 1wq9 h GLU 26 Ca -0.05 -0.04 -0.60 0.00 0.34 0.00 0.00 59.36 59.01 1wq9 h GLU 26 Cb 1.23 0.01 -0.42 0.00 -0.10 0.00 0.00 28.75 29.47 1wq9 h GLU 26 CO 0.11 0.63 -0.65 0.72 -1.16 0.00 0.00 179.01 178.67 1wq9 n HIS 27 N -3.85 3.06 0.34 4.33 8.25 0.20 -4.91 115.22 122.65 1wq9 n HIS 27 Ca -0.02 -4.11 0.21 0.00 -0.26 0.00 0.00 57.72 53.54 1wq9 n HIS 27 Cb 0.60 -0.53 1.10 0.00 1.12 0.00 0.00 29.99 32.27 1wq9 n HIS 27 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wq9 h PRO 28 N 4.45 0.00 0.00 -0.41 0.13 -1.64 0.20 132.00 134.73 1wq9 h PRO 28 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1wq9 h PRO 28 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1wq9 h PRO 28 CO 0.76 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 1wq9 n ASP 29 N -3.01 0.55 -4.43 1.44 5.75 -1.26 -4.25 116.55 111.34 1wq9 n ASP 29 Ca -0.03 0.62 -0.44 0.00 -0.01 0.00 0.00 54.79 54.93 1wq9 n ASP 29 Cb 0.17 -0.74 -0.02 0.00 -1.03 0.00 0.00 41.12 39.49 1wq9 n ASP 29 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1wq9 s GLU 30 N -3.22 3.61 -0.40 0.11 0.41 0.70 -4.85 118.70 115.06 1wq9 s GLU 30 Ca 0.06 -1.92 0.10 0.00 -0.41 0.00 0.00 54.97 52.81 1wq9 s GLU 30 Cb 0.10 -4.82 0.43 0.00 -1.78 0.00 0.00 34.13 28.05 1wq9 s GLU 30 CO 0.40 -1.68 1.01 0.44 -0.49 0.00 0.00 175.26 174.95 1wq9 n ILE 31 N 5.18 1.75 0.00 -1.63 -6.64 -1.26 -4.74 119.36 112.01 1wq9 n ILE 31 Ca 0.22 -4.25 0.00 0.00 -1.77 0.00 0.00 62.75 56.96 1wq9 n ILE 31 Cb 0.49 -0.48 0.00 0.00 -1.44 0.00 0.00 39.64 38.21 1wq9 n ILE 31 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 1wq9 n SER 32 N -0.26 0.00 -4.41 7.28 7.64 -1.26 -5.15 113.62 117.46 1wq9 n SER 32 Ca 0.26 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.94 1wq9 n SER 32 Cb 0.70 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.80 1wq9 n SER 32 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wq9 s ASP 33 N -0.00 2.11 0.12 6.43 1.01 -1.26 -4.58 116.67 120.50 1wq9 s ASP 33 Ca 0.00 -1.36 0.02 0.00 0.71 0.00 0.00 52.55 51.92 1wq9 s ASP 33 Cb 0.00 -0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.86 1wq9 s ASP 33 CO 0.00 -0.62 0.21 -0.63 0.21 0.00 0.00 175.17 174.34 1wq9 s ILE 34 N -3.39 5.07 0.01 0.77 1.01 0.02 -4.96 121.20 119.74 1wq9 s ILE 34 Ca 0.36 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.36 1wq9 s ILE 34 Cb 0.08 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1wq9 s ILE 34 CO 0.15 -0.01 -0.14 -0.36 0.00 0.00 0.00 174.94 174.58 1wq9 s PHE 35 N -1.64 1.26 -0.11 3.97 0.08 -1.26 -0.02 117.98 120.26 1wq9 s PHE 35 Ca 0.33 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.11 1wq9 s PHE 35 Cb -0.11 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1wq9 s PHE 35 CO 0.27 0.00 -0.11 1.03 -0.10 0.00 0.00 175.22 176.31 1wq9 s ARG 36 N -0.62 1.84 1.05 0.44 1.81 0.22 -2.53 118.95 121.16 1wq9 s ARG 36 Ca 0.04 -0.39 -0.13 0.00 -1.72 0.00 0.00 55.73 53.53 1wq9 s ARG 36 Cb -0.06 -1.73 0.21 0.00 -0.45 0.00 0.00 34.95 32.92 1wq9 s ARG 36 CO 0.00 -0.19 1.09 -1.25 -0.68 0.00 0.00 175.30 174.27 1wq9 s PRO 37 N 1.40 0.04 0.00 3.54 0.04 -1.26 -0.78 135.00 137.98 1wq9 s PRO 37 Ca 0.01 0.46 0.28 0.00 0.04 0.00 0.00 61.00 61.78 1wq9 s PRO 37 Cb -0.13 -1.70 1.00 0.00 0.04 0.00 0.00 34.50 33.71 1wq9 s PRO 37 CO -0.06 -2.98 1.73 -1.13 0.04 0.00 0.00 177.00 174.59 1wq9 n SER 38 N -4.34 0.54 -4.10 6.66 3.41 -1.05 -4.84 113.62 109.90 1wq9 n SER 38 Ca 0.05 -0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 58.11 1wq9 n SER 38 Cb 0.57 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 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 -3.44 0.71 -0.21 0.00 -7.23 -0.48 -4.92 120.40 104.82 1wq9 s VAL 40 Ca 0.05 -1.67 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 1wq9 s VAL 40 Cb 0.04 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 1wq9 s VAL 40 CO -0.07 -0.69 0.13 0.00 -0.31 0.00 0.00 175.10 174.16 1wq9 s ALA 41 N -2.83 3.64 0.05 1.32 0.00 -1.26 -1.15 121.76 121.53 1wq9 s ALA 41 Ca 0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 1wq9 s ALA 41 Cb -0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1wq9 s ALA 41 CO -0.02 0.08 0.08 0.54 0.00 0.00 0.00 175.76 176.44 1wq9 s VAL 42 N 0.52 0.16 0.05 0.00 0.11 -0.22 -4.88 120.40 116.14 1wq9 s VAL 42 Ca 0.07 -1.28 -0.31 0.00 -2.93 0.00 0.00 61.98 57.53 1wq9 s VAL 42 Cb -0.12 -1.12 -0.06 0.00 -1.53 0.00 0.00 36.38 33.55 1wq9 s VAL 42 CO -0.00 -0.71 1.28 -0.76 -3.33 0.00 0.00 175.10 171.57 1wq9 s LEU 43 N -2.46 4.35 0.01 2.54 1.43 -1.26 -0.12 118.68 123.18 1wq9 s LEU 43 Ca -0.00 2.08 -0.01 0.00 -1.03 0.00 0.00 54.13 55.18 1wq9 s LEU 43 Cb 0.02 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1wq9 s LEU 43 CO -0.07 -0.57 -0.01 -0.13 0.23 0.00 0.00 176.35 175.80 1wq9 s ARG 44 N 1.41 0.27 0.03 1.70 1.81 -0.53 -0.82 118.95 122.82 1wq9 s ARG 44 Ca 0.61 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.82 1wq9 s ARG 44 Cb -0.31 0.10 -0.05 0.00 -0.45 0.00 0.00 34.95 34.24 1wq9 s ARG 44 CO 0.28 -0.05 1.15 0.00 -0.68 0.00 0.00 175.30 176.00 1wq9 s SER 46 N 1.11 -0.51 0.00 0.00 1.04 -0.69 -4.89 113.70 109.77 1wq9 s SER 46 Ca 0.57 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1wq9 s SER 46 Cb -0.27 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1wq9 s SER 46 CO 0.28 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1wq9 n GLY 47 N 0.78 3.83 3.76 7.32 0.00 -1.26 -2.54 105.19 117.07 1wq9 n GLY 47 Ca -0.14 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.35 0.26 -2.21 0.00 2.02 -1.97 -3.43 112.91 107.23 1wq9 h THR 50 Ca -0.36 0.00 0.15 0.00 0.77 0.00 0.00 66.41 66.97 1wq9 h THR 50 Cb 1.27 0.65 -0.13 0.00 -1.74 0.00 0.00 68.15 68.20 1wq9 h THR 50 CO 0.42 0.00 0.53 1.51 0.37 0.00 0.00 175.52 178.34 1wq9 s ASP 51 N -5.02 -0.27 0.05 4.18 3.84 -1.26 -5.02 116.67 113.17 1wq9 s ASP 51 Ca -0.04 -0.15 0.10 0.00 -0.00 0.00 0.00 52.55 52.46 1wq9 s ASP 51 Cb 0.13 0.39 0.44 0.00 -1.38 0.00 0.00 42.92 42.50 1wq9 s ASP 51 CO 0.46 -0.68 1.30 -0.62 -0.00 0.00 0.00 175.17 175.64 1wq9 n GLU 52 N -0.33 0.03 0.24 2.11 1.02 -1.26 -1.71 120.64 120.75 1wq9 n GLU 52 Ca -0.07 0.41 0.15 0.00 -0.02 0.00 0.00 57.16 57.63 1wq9 n GLU 52 Cb 0.61 -1.57 0.54 0.00 -0.02 0.00 0.00 31.44 31.00 1wq9 n GLU 52 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wq9 h SER 53 N 0.00 0.00 -2.98 1.62 4.64 -1.95 -3.43 113.55 111.44 1wq9 h SER 53 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1wq9 h SER 53 Cb 0.13 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.11 1wq9 h SER 53 CO 0.00 0.00 -0.65 -0.04 -0.87 0.00 0.00 176.83 175.27 1wq9 s MET 54 N -3.51 2.51 0.02 4.77 -1.94 -0.69 -4.50 119.30 115.96 1wq9 s MET 54 Ca 0.03 -1.00 0.03 0.00 -1.71 0.00 0.00 55.69 53.04 1wq9 s MET 54 Cb 0.08 -2.45 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 1wq9 s MET 54 CO 0.56 0.48 -0.09 0.21 -0.01 0.00 0.00 175.02 176.17 1wq9 s LYS 55 N -2.80 0.66 -0.22 2.03 2.20 0.58 -4.71 119.74 117.48 1wq9 s LYS 55 Ca 0.27 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 1wq9 s LYS 55 Cb -0.10 -0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 35.60 1wq9 s LYS 55 CO 0.19 0.15 1.65 0.00 -0.36 0.00 0.00 175.35 176.98 1wq9 s THR 57 N 5.36 2.00 0.24 0.00 2.01 0.32 -4.73 115.64 120.83 1wq9 s THR 57 Ca 0.73 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 1wq9 s THR 57 Cb -0.25 -1.66 -0.09 0.00 0.01 0.00 0.00 72.50 70.51 1wq9 s THR 57 CO 0.30 0.56 1.13 -2.16 -0.69 0.00 0.00 174.62 173.76 1wq9 s PRO 58 N -0.53 4.59 0.00 4.92 0.04 -1.26 -1.19 135.00 141.57 1wq9 s PRO 58 Ca 0.08 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1wq9 s PRO 58 Cb -0.10 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1wq9 s PRO 58 CO -0.00 0.11 0.67 1.33 0.04 0.00 0.00 177.00 179.14 1wq9 n VAL 59 N 1.72 0.40 -3.55 -0.36 0.24 0.02 -4.93 118.33 111.88 1wq9 n VAL 59 Ca 0.01 -0.64 -0.15 0.00 -2.04 0.00 0.00 64.34 61.52 1wq9 n VAL 59 Cb 0.45 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.63 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 -0.40 -0.46 0.31 7.63 0.00 -1.20 -4.89 107.32 108.31 1wq9 s GLY 60 Ca 0.00 1.63 -0.10 0.00 0.00 0.00 0.00 44.72 46.25 1wq9 s GLY 60 CO 0.00 1.05 0.55 -1.59 0.00 0.00 0.00 173.10 173.10 1wq9 s LYS 61 N -1.05 1.83 0.34 2.90 -2.85 -1.26 -0.48 119.74 119.17 1wq9 s LYS 61 Ca -0.07 -1.47 -0.17 0.00 -1.00 0.00 0.00 55.97 53.26 1wq9 s LYS 61 Cb -0.01 0.50 0.05 0.00 -2.06 0.00 0.00 37.83 36.31 1wq9 s LYS 61 CO 0.06 -0.78 0.80 -3.38 0.10 0.00 0.00 175.35 172.15 1wq9 s HIS 62 N -3.32 0.05 -0.21 1.78 -3.43 0.06 -4.80 115.29 105.42 1wq9 s HIS 62 Ca 0.24 -0.66 -0.03 0.00 -0.80 0.00 0.00 55.06 53.81 1wq9 s HIS 62 Cb -0.02 0.80 -0.01 0.00 -1.43 0.00 0.00 32.58 31.93 1wq9 s HIS 62 CO 0.14 -1.44 -0.06 0.99 -2.00 0.00 0.00 174.74 172.36 1wq9 s THR 63 N -2.62 3.26 0.05 -5.38 2.01 -1.26 -0.90 115.64 110.80 1wq9 s THR 63 Ca 0.15 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1wq9 s THR 63 Cb -0.05 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 1wq9 s THR 63 CO 0.10 0.44 0.30 0.00 -0.69 0.00 0.00 174.62 174.77 1wq9 s ALA 64 N 1.35 3.84 -0.27 7.40 0.00 0.53 -4.89 121.76 129.72 1wq9 s ALA 64 Ca 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1wq9 s ALA 64 Cb -0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1wq9 s ALA 64 CO -0.03 0.66 0.11 -0.51 0.00 0.00 0.00 175.76 175.99 1wq9 s ASP 65 N -1.94 5.38 -0.05 0.00 1.01 -1.26 -0.67 116.67 119.15 1wq9 s ASP 65 Ca 0.31 -0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.36 1wq9 s ASP 65 Cb -0.13 -1.98 -0.00 0.00 1.01 0.00 0.00 42.92 41.82 1wq9 s ASP 65 CO 0.19 -0.08 -0.17 -0.63 0.21 0.00 0.00 175.17 174.70 1wq9 s ILE 66 N 1.64 1.42 -0.09 0.77 1.01 0.01 -4.94 121.20 121.02 1wq9 s ILE 66 Ca 0.06 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 1wq9 s ILE 66 Cb -0.16 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1wq9 s ILE 66 CO 0.06 0.41 0.84 -1.58 0.00 0.00 0.00 174.94 174.67 1wq9 s GLN 67 N 0.17 4.42 0.30 2.79 0.74 -1.26 0.02 119.66 126.83 1wq9 s GLN 67 Ca -0.07 1.11 0.04 0.00 0.05 0.00 0.00 55.36 56.49 1wq9 s GLN 67 Cb -0.13 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1wq9 s GLN 67 CO 0.03 -0.14 0.18 0.96 -0.55 0.00 0.00 175.29 175.77 1wq9 s ILE 68 N 1.45 0.20 -0.18 -2.34 -4.36 0.70 -4.95 121.20 111.71 1wq9 s ILE 68 Ca 0.42 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.78 1wq9 s ILE 68 Cb -0.18 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 1wq9 s ILE 68 CO 0.18 0.00 -0.05 -0.32 0.24 0.00 0.00 174.94 175.00 1wq9 s MET 69 N -3.78 3.54 -0.31 0.37 -2.45 0.04 -0.45 119.30 116.26 1wq9 s MET 69 Ca 0.37 -0.57 -0.14 0.00 -1.25 0.00 0.00 55.69 54.10 1wq9 s MET 69 Cb 0.05 -2.92 -0.03 0.00 1.25 0.00 0.00 34.83 33.18 1wq9 s MET 69 CO 0.19 0.09 0.31 0.50 1.05 0.00 0.00 175.02 177.16 1wq9 s ARG 70 N 0.75 3.73 -0.30 4.11 3.52 -0.73 -0.61 118.95 129.42 1wq9 s ARG 70 Ca -0.02 -0.33 -0.08 0.00 -0.13 0.00 0.00 55.73 55.16 1wq9 s ARG 70 Cb -0.15 -3.74 -0.00 0.00 -1.56 0.00 0.00 34.95 29.50 1wq9 s ARG 70 CO 0.02 -0.39 0.12 1.41 -0.81 0.00 0.00 175.30 175.64 1wq9 s MET 71 N 1.94 3.24 -0.45 5.12 1.75 0.98 -1.79 119.30 130.08 1wq9 s MET 71 Ca 0.11 -0.77 -0.29 0.00 -1.25 0.00 0.00 55.69 53.49 1wq9 s MET 71 Cb -0.16 -3.47 0.01 0.00 2.84 0.00 0.00 34.83 34.05 1wq9 s MET 71 CO 0.11 -0.42 1.36 1.21 -0.65 0.00 0.00 175.02 176.63 1wq9 s ASN 72 N 1.56 6.36 0.62 1.11 3.84 0.14 -0.80 114.94 127.78 1wq9 s ASN 72 Ca 0.04 0.65 0.39 0.00 0.21 0.00 0.00 52.86 54.15 1wq9 s ASN 72 Cb -0.17 -2.54 2.07 0.00 -0.55 0.00 0.00 41.25 40.06 1wq9 s ASN 72 CO 0.04 -1.45 2.26 1.55 -2.79 0.00 0.00 177.10 176.72 1wq9 h PRO 73 N 10.47 0.00 0.02 0.43 0.13 -1.88 0.88 132.00 142.06 1wq9 h PRO 73 Ca -0.26 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.60 1wq9 h PRO 73 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1wq9 h PRO 73 CO 1.11 0.01 -1.45 0.00 -0.23 0.00 0.00 178.00 177.44 1wq9 h ARG 74 N 0.00 0.05 -0.00 0.86 3.08 -1.90 -3.37 114.38 113.09 1wq9 h ARG 74 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1wq9 h ARG 74 Cb 0.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1wq9 h ARG 74 CO 0.00 0.78 -0.23 0.25 -1.07 0.00 0.00 179.97 179.71 1wq9 n THR 75 N -3.23 0.00 -1.59 2.04 -2.24 -1.05 -4.99 114.28 103.23 1wq9 n THR 75 Ca -0.12 -0.39 -0.18 0.00 -2.27 0.00 0.00 64.05 61.10 1wq9 n THR 75 Cb 1.01 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 70.19 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 -0.87 -0.06 -3.01 4.78 8.25 0.30 -4.96 115.22 119.65 1wq9 n HIS 76 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 1wq9 n HIS 76 Cb 0.11 -3.15 -0.05 0.00 1.12 0.00 0.00 29.99 28.02 1wq9 n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wq9 s SER 77 N -2.77 6.96 -0.02 0.41 0.15 -1.21 -4.80 113.70 112.42 1wq9 s SER 77 Ca 0.00 1.16 0.04 0.00 0.70 0.00 0.00 55.95 57.85 1wq9 s SER 77 Cb 0.00 -2.42 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1wq9 s SER 77 CO 0.00 -0.19 -0.14 -0.94 1.20 0.00 0.00 173.24 173.17 1wq9 s SER 78 N 0.92 1.68 -0.09 5.45 1.04 -1.26 0.28 113.70 121.73 1wq9 s SER 78 Ca 0.37 -0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.43 1wq9 s SER 78 Cb -0.17 -0.25 0.03 0.00 0.10 0.00 0.00 66.02 65.72 1wq9 s SER 78 CO 0.16 0.16 0.29 -0.75 0.98 0.00 0.00 173.24 174.08 1wq9 s LYS 79 N -0.23 0.41 0.54 4.02 2.20 -0.74 -4.94 119.74 121.00 1wq9 s LYS 79 Ca 0.03 0.26 -0.21 0.00 -0.36 0.00 0.00 55.97 55.69 1wq9 s LYS 79 Cb -0.07 0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 36.39 1wq9 s LYS 79 CO -0.00 -0.07 1.24 -1.33 -0.36 0.00 0.00 175.35 174.83 1wq9 n MET 80 N 2.55 1.51 -3.49 4.03 2.81 -1.26 -1.77 117.12 121.50 1wq9 n MET 80 Ca -0.15 0.56 -0.14 0.00 -1.81 0.00 0.00 57.70 56.16 1wq9 n MET 80 Cb 0.57 -2.43 -0.04 0.00 -0.71 0.00 0.00 33.22 30.62 1wq9 n MET 80 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1wq9 s GLU 81 N -2.74 1.17 -0.20 0.03 2.12 0.40 -4.87 118.70 114.61 1wq9 s GLU 81 Ca 0.71 -0.28 -0.09 0.00 0.36 0.00 0.00 54.97 55.68 1wq9 s GLU 81 Cb -0.44 0.54 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 1wq9 s GLU 81 CO 0.50 -0.46 0.10 0.08 -0.54 0.00 0.00 175.26 174.94 1wq9 s VAL 82 N -2.93 5.06 0.06 3.70 1.01 -1.26 -0.22 120.40 125.83 1wq9 s VAL 82 Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1wq9 s VAL 82 Cb -0.01 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1wq9 s VAL 82 CO -0.06 0.43 -0.20 -0.32 0.00 0.00 0.00 175.10 174.96 1wq9 s MET 83 N 0.50 1.28 0.05 2.72 1.75 0.10 -4.92 119.30 120.79 1wq9 s MET 83 Ca 0.05 -0.97 -0.18 0.00 -1.25 0.00 0.00 55.69 53.34 1wq9 s MET 83 Cb -0.12 -1.42 -0.06 0.00 2.84 0.00 0.00 34.83 36.06 1wq9 s MET 83 CO 0.00 0.35 0.53 0.15 -0.65 0.00 0.00 175.02 175.41 1wq9 s LYS 84 N -1.34 4.14 0.03 4.11 1.02 -1.26 -0.81 119.74 125.63 1wq9 s LYS 84 Ca 0.07 0.65 0.02 0.00 0.02 0.00 0.00 55.97 56.73 1wq9 s LYS 84 Cb -0.09 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 1wq9 s LYS 84 CO 0.02 0.62 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.93 1wq9 s PHE 85 N -1.00 0.71 0.12 3.18 0.40 0.16 -4.96 117.98 116.58 1wq9 s PHE 85 Ca 0.28 -0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 55.93 1wq9 s PHE 85 Cb -0.19 -0.43 -0.06 0.00 0.51 0.00 0.00 43.02 42.85 1wq9 s PHE 85 CO 0.17 -0.05 0.89 1.41 0.70 0.00 0.00 175.22 178.35 1wq9 s MET 86 N -1.23 4.66 -0.02 0.44 -2.45 -1.26 -0.35 119.30 119.09 1wq9 s MET 86 Ca -0.06 1.33 0.02 0.00 -1.25 0.00 0.00 55.69 55.73 1wq9 s MET 86 Cb -0.08 -3.35 0.01 0.00 1.25 0.00 0.00 34.83 32.66 1wq9 s MET 86 CO 0.00 0.31 -0.06 -2.00 1.05 0.00 0.00 175.02 174.33 1wq9 s GLU 87 N -0.30 0.72 0.35 4.11 2.12 -0.07 -4.86 118.70 120.76 1wq9 s GLU 87 Ca 0.43 -0.19 -0.26 0.00 0.36 0.00 0.00 54.97 55.31 1wq9 s GLU 87 Cb -0.23 -0.71 -0.09 0.00 0.26 0.00 0.00 34.13 33.36 1wq9 s GLU 87 CO 0.28 0.04 1.04 -1.01 -0.54 0.00 0.00 175.26 175.07 1wq9 s HIS 88 N 0.36 3.45 -0.04 5.30 3.76 0.00 -0.76 115.29 127.37 1wq9 s HIS 88 Ca -0.05 1.70 0.02 0.00 -0.15 0.00 0.00 55.06 56.58 1wq9 s HIS 88 Cb -0.09 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 1wq9 s HIS 88 CO 0.00 -0.41 -0.01 0.25 -0.85 0.00 0.00 174.74 173.72 1wq9 n THR 89 N 0.42 0.27 -4.11 1.30 -2.24 0.37 -4.63 114.28 105.65 1wq9 n THR 89 Ca 0.03 -0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1wq9 n THR 89 Cb 0.48 -0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 67.79 1wq9 n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wq9 s ALA 90 N -2.09 0.54 0.13 6.98 0.00 -1.20 -4.88 121.76 121.24 1wq9 s ALA 90 Ca -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1wq9 s ALA 90 Cb 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1wq9 s ALA 90 CO 0.14 0.04 -0.09 0.00 0.00 0.00 0.00 175.76 175.84 1wq9 s GLU 92 N -3.69 0.80 -0.13 0.00 2.12 -0.34 -4.90 118.70 112.56 1wq9 s GLU 92 Ca 0.14 0.67 -0.29 0.00 0.36 0.00 0.00 54.97 55.85 1wq9 s GLU 92 Cb 0.03 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 1wq9 s GLU 92 CO -0.01 -0.15 1.22 0.00 -0.54 0.00 0.00 175.26 175.78 1wq9 s ARG 94 N 2.99 0.98 0.26 0.00 0.52 -0.11 -4.85 118.95 118.74 1wq9 s ARG 94 Ca 0.54 -1.11 -0.07 0.00 -0.52 0.00 0.00 55.73 54.57 1wq9 s ARG 94 Cb -0.22 -1.03 0.45 0.00 0.52 0.00 0.00 34.95 34.67 1wq9 s ARG 94 CO 0.17 0.22 1.60 -1.35 0.02 0.00 0.00 175.30 175.96 1wq9 h PRO 95 N 3.97 0.04 0.00 3.54 0.11 -1.87 0.16 132.00 137.96 1wq9 h PRO 95 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1wq9 h PRO 95 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wq9 h PRO 95 CO 0.43 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.25