#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1put s LYS 2 N 0.00 0.62 -0.15 1.43 2.36 -1.26 -4.64 119.74 118.09 1put s LYS 2 Ca 0.00 -0.59 -0.06 0.00 -2.55 0.00 0.00 55.97 52.77 1put s LYS 2 Cb 0.00 0.25 0.07 0.00 -1.05 0.00 0.00 37.83 37.10 1put s LYS 2 CO 0.00 -0.17 0.33 0.08 1.55 0.00 0.00 175.35 177.14 1put s VAL 3 N -2.24 -0.37 -0.07 4.02 1.01 -0.59 -1.53 120.40 120.62 1put s VAL 3 Ca -0.08 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1put s VAL 3 Cb -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1put s VAL 3 CO -0.02 0.08 -0.19 -0.69 0.00 0.00 0.00 175.10 174.28 1put s VAL 4 N 2.16 1.63 0.15 2.92 1.01 -1.07 -0.59 120.40 126.62 1put s VAL 4 Ca -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1put s VAL 4 Cb -0.11 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1put s VAL 4 CO -0.10 0.46 0.28 -0.31 0.00 0.00 0.00 175.10 175.43 1put s TYR 5 N 0.28 3.48 0.36 5.22 1.51 -0.74 -1.39 117.35 126.08 1put s TYR 5 Ca -0.12 0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.13 1put s TYR 5 Cb -0.15 -1.66 -0.07 0.00 -0.11 0.00 0.00 41.96 39.96 1put s TYR 5 CO 0.05 0.52 -0.02 0.08 -1.11 0.00 0.00 175.55 175.06 1put s VAL 6 N -1.74 1.92 0.25 0.71 1.01 0.15 -2.22 120.40 120.48 1put s VAL 6 Ca 0.34 -2.08 0.09 0.00 0.00 0.00 0.00 61.98 60.33 1put s VAL 6 Cb -0.11 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1put s VAL 6 CO 0.28 -0.10 -0.13 -0.55 0.00 0.00 0.00 175.10 174.61 1put s SER 7 N -3.62 2.95 0.00 3.32 0.15 -0.01 -1.90 113.70 114.59 1put s SER 7 Ca 0.34 -1.08 0.07 0.00 0.70 0.00 0.00 55.95 55.97 1put s SER 7 Cb 0.07 -0.20 0.32 0.00 -1.71 0.00 0.00 66.02 64.50 1put s SER 7 CO 0.16 -0.17 1.13 0.00 1.20 0.00 0.00 173.24 175.56 1put n HIS 8 N -0.53 0.00 0.49 3.44 1.44 -1.26 -1.40 115.22 117.40 1put n HIS 8 Ca -0.06 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.70 1put n HIS 8 Cb 0.61 -0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.36 1put n HIS 8 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1put n ASP 9 N -1.37 1.36 0.00 4.39 2.03 -1.26 -4.98 116.55 116.73 1put n ASP 9 Ca 0.03 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 54.15 1put n ASP 9 Cb 0.06 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1put n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1put n GLY 10 N 0.90 2.64 3.61 0.27 0.00 -0.49 -5.04 105.19 107.07 1put n GLY 10 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1put n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1put n THR 11 N -0.97 0.42 -4.15 2.61 -1.04 -1.26 -4.51 114.28 105.38 1put n THR 11 Ca 0.00 -0.41 -0.29 0.00 -2.04 0.00 0.00 64.05 61.32 1put n THR 11 Cb 0.00 -2.52 -0.17 0.00 -1.82 0.00 0.00 70.33 65.82 1put n THR 11 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1put s ARG 12 N 6.03 2.14 -0.22 -2.82 0.52 -1.26 -0.83 118.95 122.52 1put s ARG 12 Ca 0.99 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 55.60 1put s ARG 12 Cb -0.36 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1put s ARG 12 CO 0.37 -0.18 0.10 -0.98 0.02 0.00 0.00 175.30 174.63 1put s ARG 13 N 1.34 3.97 0.40 3.54 3.03 -0.94 -4.87 118.95 125.42 1put s ARG 13 Ca 0.01 -0.33 -0.06 0.00 2.03 0.00 0.00 55.73 57.37 1put s ARG 13 Cb -0.13 -3.37 -0.05 0.00 -1.03 0.00 0.00 34.95 30.37 1put s ARG 13 CO -0.07 0.11 0.70 -0.65 -1.13 0.00 0.00 175.30 174.27 1put s GLN 14 N 0.85 3.63 0.16 3.89 -0.21 -1.26 -1.80 119.66 124.91 1put s GLN 14 Ca 0.05 0.19 -0.14 0.00 0.02 0.00 0.00 55.36 55.48 1put s GLN 14 Cb -0.13 -2.47 0.05 0.00 1.00 0.00 0.00 33.01 31.46 1put s GLN 14 CO 0.03 -0.02 0.68 1.47 -2.12 0.00 0.00 175.29 175.33 1put n LEU 15 N -1.62 0.00 -3.87 2.90 -0.00 0.25 -4.97 117.00 109.69 1put n LEU 15 Ca 0.00 -1.18 -0.27 0.00 -0.00 0.00 0.00 56.01 54.56 1put n LEU 15 Cb 0.55 2.10 -0.17 0.00 -0.00 0.00 0.00 43.42 45.90 1put n LEU 15 CO 0.50 -0.39 -0.42 -0.62 -0.00 0.00 0.00 177.39 176.46 1put s ASP 16 N -2.64 2.60 -0.50 1.45 -1.08 -1.26 -1.55 116.67 113.69 1put s ASP 16 Ca 0.15 -0.56 -0.20 0.00 -0.52 0.00 0.00 52.55 51.42 1put s ASP 16 Cb -0.02 -0.83 0.05 0.00 -1.46 0.00 0.00 42.92 40.66 1put s ASP 16 CO 0.05 -0.18 0.65 -0.69 0.52 0.00 0.00 175.17 175.51 1put s VAL 17 N 1.70 4.83 0.98 1.11 1.01 -1.26 -4.95 120.40 123.82 1put s VAL 17 Ca 0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1put s VAL 17 Cb -0.15 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 31.99 1put s VAL 17 CO -0.08 -0.79 -0.24 0.00 0.00 0.00 0.00 175.10 174.00 1put n ALA 18 N 6.27 -2.21 -2.69 5.51 0.00 -1.26 -4.78 120.51 121.35 1put n ALA 18 Ca -0.05 -1.07 -0.41 0.00 0.00 0.00 0.00 53.44 51.90 1put n ALA 18 Cb 0.46 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1put n ALA 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1put s ASP 19 N -1.60 7.07 0.00 0.00 1.01 -1.26 -3.51 116.67 118.39 1put s ASP 19 Ca 0.38 1.31 0.00 0.00 0.71 0.00 0.00 52.55 54.94 1put s ASP 19 Cb -0.03 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1put s ASP 19 CO 0.46 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1put n GLY 20 N 3.24 1.05 3.44 0.21 0.00 -1.25 -4.97 105.19 106.91 1put n GLY 20 Ca 0.04 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1put n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1put s VAL 21 N -2.00 1.72 -0.01 1.61 1.01 -1.23 -4.99 120.40 116.51 1put s VAL 21 Ca 0.00 -2.14 0.02 0.00 0.00 0.00 0.00 61.98 59.86 1put s VAL 21 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1put s VAL 21 CO 0.00 -0.29 -0.03 -0.55 0.00 0.00 0.00 175.10 174.22 1put s SER 22 N -3.46 4.87 0.45 3.32 0.15 -1.26 -1.33 113.70 116.45 1put s SER 22 Ca 0.30 -0.06 0.30 0.00 0.70 0.00 0.00 55.95 57.18 1put s SER 22 Cb 0.03 -1.22 1.39 0.00 -1.71 0.00 0.00 66.02 64.51 1put s SER 22 CO 0.12 0.29 1.68 -0.07 1.20 0.00 0.00 173.24 176.47 1put h LEU 23 N 4.53 0.24 -0.11 3.45 3.38 -1.77 0.74 115.31 125.77 1put h LEU 23 Ca -0.49 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1put h LEU 23 Cb 1.17 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1put h LEU 23 CO 0.55 -0.07 0.04 -0.03 0.09 0.00 0.00 178.44 179.02 1put h MET 24 N 0.15 0.17 0.01 1.13 4.05 -1.83 0.18 114.93 118.78 1put h MET 24 Ca 0.73 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 60.15 1put h MET 24 Cb 2.36 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 33.09 1put h MET 24 CO -0.29 0.29 -0.34 1.96 0.23 0.00 0.00 176.91 178.76 1put h GLN 25 N 0.01 -0.48 0.00 0.39 4.20 0.16 0.34 115.11 119.72 1put h GLN 25 Ca 0.04 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1put h GLN 25 Cb 0.19 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1put h GLN 25 CO -0.00 -0.32 -0.03 0.00 -0.67 0.00 0.00 178.83 177.81 1put h ALA 26 N 0.19 1.13 0.00 3.87 0.00 -1.31 -0.76 119.26 122.37 1put h ALA 26 Ca 0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1put h ALA 26 Cb 0.58 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1put h ALA 26 CO -0.27 0.03 -0.36 0.00 0.00 0.00 0.00 179.25 178.65 1put h ALA 27 N 1.97 0.85 -0.38 0.00 0.00 0.27 -2.15 119.26 119.81 1put h ALA 27 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1put h ALA 27 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1put h ALA 27 CO 0.00 0.45 0.25 -0.24 0.00 0.00 0.00 179.25 179.72 1put h VAL 28 N 0.00 1.09 0.00 0.00 3.04 0.58 0.23 116.25 121.19 1put h VAL 28 Ca -0.00 -0.18 -0.20 0.00 -1.01 0.00 0.00 66.70 65.31 1put h VAL 28 Cb 1.10 0.54 -0.03 0.00 -2.01 0.00 0.00 31.29 30.88 1put h VAL 28 CO 0.05 0.09 -1.26 -0.24 -1.01 0.00 0.00 177.57 175.20 1put n SER 29 N -4.48 1.86 0.26 3.17 2.88 -1.18 -3.98 113.62 112.16 1put n SER 29 Ca 0.03 0.46 0.13 0.00 -1.33 0.00 0.00 58.87 58.15 1put n SER 29 Cb 0.07 -0.92 0.70 0.00 -0.75 0.00 0.00 64.21 63.31 1put n SER 29 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1put h ASN 30 N -1.00 0.00 0.00 -3.46 2.35 -1.35 -3.44 115.58 108.68 1put h ASN 30 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1put h ASN 30 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1put h ASN 30 CO -0.19 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.20 1put n GLY 31 N -1.23 0.45 0.06 2.83 0.00 0.62 -4.92 105.19 103.00 1put n GLY 31 Ca -0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 1put n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1put n ILE 32 N -3.33 0.86 -0.34 -0.61 5.41 -0.10 -3.95 119.36 117.30 1put n ILE 32 Ca 0.00 -0.65 0.13 0.00 1.00 0.00 0.00 62.75 63.23 1put n ILE 32 Cb 0.22 -0.37 0.32 0.00 -0.71 0.00 0.00 39.64 39.10 1put n ILE 32 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 1put h TYR 33 N 0.00 1.00 -0.05 1.39 -0.00 -1.59 2.24 116.97 119.96 1put h TYR 33 Ca -0.34 0.04 -0.16 0.00 -0.00 0.00 0.00 58.73 58.26 1put h TYR 33 Cb 1.74 -0.29 -0.01 0.00 -0.00 0.00 0.00 36.73 38.16 1put h TYR 33 CO 0.00 0.17 -0.69 0.22 -0.00 0.00 0.00 178.16 177.86 1put h ASP 34 N 0.69 0.28 -0.62 0.10 3.58 -1.80 -2.92 116.42 115.72 1put h ASP 34 Ca 0.58 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1put h ASP 34 Cb 0.96 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1put h ASP 34 CO -0.41 0.89 0.00 2.30 -2.88 0.00 0.00 179.24 179.13 1put n ILE 35 N -3.80 1.61 -2.75 2.25 -6.64 0.23 -4.55 119.36 105.72 1put n ILE 35 Ca -0.03 -1.08 -0.08 0.00 -1.77 0.00 0.00 62.75 59.79 1put n ILE 35 Cb 0.68 0.14 0.05 0.00 -1.44 0.00 0.00 39.64 39.07 1put n ILE 35 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1put n VAL 36 N 1.12 0.00 -2.33 7.28 0.31 0.69 -5.01 118.33 120.40 1put n VAL 36 Ca 0.24 -1.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.09 1put n VAL 36 Cb 0.81 1.49 0.00 0.00 -0.91 0.00 0.00 33.84 35.24 1put n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1put n GLY 37 N 1.63 -0.94 0.00 2.92 0.00 -1.16 -4.57 105.19 103.07 1put n GLY 37 Ca 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1put n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1put n ASP 38 N 3.00 0.00 -0.32 1.61 9.92 -1.26 -4.60 116.55 124.90 1put n ASP 38 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.21 1put n ASP 38 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1put n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1put n GLY 40 N -1.07 -4.47 7.00 0.00 0.00 -1.26 -4.65 105.19 100.74 1put n GLY 40 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1put n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1put n GLY 41 N -0.76 1.12 3.55 -0.02 0.00 -1.26 -4.63 105.19 103.18 1put n GLY 41 Ca 0.00 0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 1put n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1put s SER 42 N -4.00 4.43 -0.27 1.61 0.15 -1.26 -4.86 113.70 109.50 1put s SER 42 Ca 0.00 1.03 -0.28 0.00 0.70 0.00 0.00 55.95 57.40 1put s SER 42 Cb 0.00 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1put s SER 42 CO 0.00 -2.91 2.04 0.00 1.20 0.00 0.00 173.24 173.58 1put s ALA 43 N 12.23 2.76 0.00 5.45 0.00 -1.26 -4.66 121.76 136.29 1put s ALA 43 Ca 0.97 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1put s ALA 43 Cb -0.17 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1put s ALA 43 CO 0.25 -2.77 0.55 0.43 0.00 0.00 0.00 175.76 174.22 1put n SER 44 N 11.20 0.00 0.00 0.00 7.64 -1.26 -4.86 113.62 126.33 1put n SER 44 Ca 0.27 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1put n SER 44 Cb 0.46 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1put n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1put n ALA 46 N -3.00 1.87 0.09 0.00 0.00 -1.26 -3.75 120.51 114.47 1put n ALA 46 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1put n ALA 46 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 1put n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1put n THR 47 N 0.00 0.69 -0.92 0.00 -2.24 -1.26 -3.59 114.28 106.96 1put n THR 47 Ca 0.00 -0.57 -0.15 0.00 -2.27 0.00 0.00 64.05 61.06 1put n THR 47 Cb 0.53 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.38 1put n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1put n HIS 49 N 0.71 2.64 -2.67 0.00 -0.00 -1.26 -2.58 115.22 112.07 1put n HIS 49 Ca 0.29 -3.03 -0.35 0.00 -0.00 0.00 0.00 57.72 54.63 1put n HIS 49 Cb 0.58 -2.39 -0.05 0.00 -0.00 0.00 0.00 29.99 28.13 1put n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1put s VAL 50 N 1.76 4.02 -0.34 3.57 -7.23 -1.18 -2.32 120.40 118.68 1put s VAL 50 Ca 0.63 1.39 -0.08 0.00 -1.81 0.00 0.00 61.98 62.11 1put s VAL 50 Cb 0.17 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.50 1put s VAL 50 CO -0.07 -0.14 0.14 -0.31 -0.31 0.00 0.00 175.10 174.41 1put s TYR 51 N -1.90 3.23 0.55 2.82 2.02 -0.74 -1.12 117.35 122.20 1put s TYR 51 Ca 0.61 -1.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1put s TYR 51 Cb -0.16 -2.33 0.04 0.00 -0.40 0.00 0.00 41.96 39.11 1put s TYR 51 CO 0.20 -0.67 0.76 0.08 -1.57 0.00 0.00 175.55 174.35 1put s VAL 52 N 1.47 2.67 0.91 0.71 1.01 -0.07 0.15 120.40 127.25 1put s VAL 52 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1put s VAL 52 Cb -0.19 -2.97 0.14 0.00 0.00 0.00 0.00 36.38 33.36 1put s VAL 52 CO 0.04 0.00 1.09 0.20 0.00 0.00 0.00 175.10 176.43 1put s ASN 53 N -4.43 3.32 0.00 3.32 0.01 0.28 -4.59 114.94 112.84 1put s ASN 53 Ca 0.58 1.49 0.12 0.00 -0.71 0.00 0.00 52.86 54.34 1put s ASN 53 Cb -0.10 -2.17 0.36 0.00 0.41 0.00 0.00 41.25 39.75 1put s ASN 53 CO 0.38 -2.74 1.29 -1.84 -1.51 0.00 0.00 177.10 172.68 1put n GLU 54 N -3.95 1.78 -0.04 -0.60 0.00 -1.26 -3.11 120.64 113.46 1put n GLU 54 Ca 0.07 -1.21 -0.03 0.00 0.00 0.00 0.00 57.16 55.99 1put n GLU 54 Cb 0.55 -1.28 -0.08 0.00 0.00 0.00 0.00 31.44 30.63 1put n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1put n ALA 55 N 0.47 1.85 0.07 -1.84 0.00 -1.26 -4.59 120.51 115.22 1put n ALA 55 Ca 0.12 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 53.08 1put n ALA 55 Cb 0.29 -0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.60 1put n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1put n PHE 56 N -2.29 0.19 0.29 0.00 3.01 -1.25 -4.09 117.46 113.31 1put n PHE 56 Ca -0.14 0.06 0.16 0.00 1.01 0.00 0.00 57.45 58.54 1put n PHE 56 Cb 0.74 -0.56 0.86 0.00 -0.01 0.00 0.00 39.48 40.51 1put n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1put h THR 57 N 0.00 0.35 0.13 4.37 1.35 -1.79 -2.27 112.91 115.04 1put h THR 57 Ca 0.00 -0.33 -0.30 0.00 -0.55 0.00 0.00 66.41 65.23 1put h THR 57 Cb 0.97 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1put h THR 57 CO 0.00 0.06 -1.46 0.44 -0.25 0.00 0.00 175.52 174.31 1put h ASP 58 N 0.00 0.42 0.24 5.36 3.32 -1.83 -3.21 116.42 120.72 1put h ASP 58 Ca -0.00 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1put h ASP 58 Cb 0.24 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1put h ASP 58 CO 0.01 1.44 0.00 0.29 -1.72 0.00 0.00 179.24 179.25 1put n LYS 59 N -3.48 0.10 -3.60 3.56 4.76 -0.86 -4.63 118.16 114.00 1put n LYS 59 Ca -0.14 0.50 -0.21 0.00 -2.87 0.00 0.00 58.31 55.58 1put n LYS 59 Cb 1.04 -1.76 -0.01 0.00 -1.84 0.00 0.00 35.03 32.46 1put n LYS 59 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1put s VAL 60 N -3.29 4.80 1.05 -0.18 -7.23 -1.18 -4.96 120.40 109.42 1put s VAL 60 Ca 0.01 -0.81 -0.12 0.00 -1.81 0.00 0.00 61.98 59.25 1put s VAL 60 Cb 0.06 -3.71 0.21 0.00 0.56 0.00 0.00 36.38 33.50 1put s VAL 60 CO 0.20 -0.34 1.02 -2.65 -0.31 0.00 0.00 175.10 173.03 1put n PRO 61 N -1.63 -1.44 -2.75 4.82 -0.02 -1.26 -4.95 135.00 127.77 1put n PRO 61 Ca -0.05 -0.37 -0.34 0.00 -2.02 0.00 0.00 63.50 60.72 1put n PRO 61 Cb 0.57 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1put n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1put n ALA 62 N -4.59 5.40 -1.52 3.55 0.00 -1.26 -5.00 120.51 117.08 1put n ALA 62 Ca 0.07 -4.63 -0.57 0.00 0.00 0.00 0.00 53.44 48.31 1put n ALA 62 Cb 0.53 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 1put n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1put n ALA 63 N -0.18 -3.00 -1.00 0.00 0.00 -1.26 -4.91 120.51 110.16 1put n ALA 63 Ca 0.39 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1put n ALA 63 Cb 0.33 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1put n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1put n ASN 64 N 1.75 -0.03 -0.00 0.00 3.02 -1.26 -4.90 115.26 113.84 1put n ASN 64 Ca 0.20 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.85 1put n ASN 64 Cb 0.11 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.18 1put n ASN 64 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1put n GLU 65 N -0.03 0.03 0.00 3.52 2.13 -1.26 -4.35 120.64 120.68 1put n GLU 65 Ca 0.00 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1put n GLU 65 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1put n GLU 65 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1put n ARG 66 N -1.53 0.00 0.33 5.31 1.85 -1.26 -0.47 116.66 120.89 1put n ARG 66 Ca 0.04 0.71 0.22 0.00 -1.00 0.00 0.00 57.85 57.82 1put n ARG 66 Cb 0.34 -1.39 1.17 0.00 -1.05 0.00 0.00 32.46 31.53 1put n ARG 66 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1put h GLU 67 N 0.00 0.00 -0.12 2.89 9.09 -1.96 -1.04 114.58 123.44 1put h GLU 67 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 1put h GLU 67 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1put h GLU 67 CO 0.00 0.00 -0.25 0.82 0.05 0.00 0.00 179.01 179.63 1put h ILE 68 N 0.00 1.23 -0.64 -1.06 2.04 -0.97 -2.89 117.51 115.22 1put h ILE 68 Ca -0.00 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 64.86 1put h ILE 68 Cb 0.05 1.41 -0.10 0.00 -0.74 0.00 0.00 36.82 37.45 1put h ILE 68 CO 0.00 0.32 -0.55 1.23 0.00 0.00 0.00 178.15 179.15 1put h GLY 69 N 0.93 -0.87 2.00 5.37 0.00 0.35 2.05 103.07 112.90 1put h GLY 69 Ca 0.03 0.73 -0.07 0.00 0.00 0.00 0.00 47.33 48.02 1put h GLY 69 CO 0.04 -0.07 -0.34 -0.33 0.00 0.00 0.00 176.54 175.84 1put h MET 70 N -0.24 0.00 -0.10 4.80 2.86 -1.74 -1.46 114.93 119.05 1put h MET 70 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1put h MET 70 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1put h MET 70 CO -0.73 0.34 0.00 -0.11 1.06 0.00 0.00 176.91 177.47 1put n LEU 71 N -3.86 0.95 0.01 1.22 7.94 0.20 -3.27 117.00 120.19 1put n LEU 71 Ca -0.01 -0.40 0.11 0.00 -1.11 0.00 0.00 56.01 54.60 1put n LEU 71 Cb 0.41 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.30 1put n LEU 71 CO 0.37 0.20 0.01 1.21 -1.11 0.00 0.00 177.39 178.07 1put n GLU 72 N -0.15 0.16 0.16 1.96 0.00 0.64 -4.04 120.64 119.37 1put n GLU 72 Ca 0.15 -0.02 0.11 0.00 0.00 0.00 0.00 57.16 57.40 1put n GLU 72 Cb 0.21 -1.54 0.57 0.00 0.00 0.00 0.00 31.44 30.69 1put n GLU 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1put n VAL 74 N -2.24 0.59 -0.12 0.00 0.24 -1.24 -4.61 118.33 110.96 1put n VAL 74 Ca -0.01 -0.15 0.26 0.00 -2.04 0.00 0.00 64.34 62.40 1put n VAL 74 Cb 0.04 0.00 0.56 0.00 -1.47 0.00 0.00 33.84 32.97 1put n VAL 74 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1put h THR 75 N 1.57 0.13 -1.52 3.34 2.02 -1.86 -3.39 112.91 113.19 1put h THR 75 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1put h THR 75 Cb 1.03 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1put h THR 75 CO 0.44 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.33 1put n ALA 76 N -2.30 0.00 -2.52 6.16 0.00 -1.26 -5.00 120.51 115.59 1put n ALA 76 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1put n ALA 76 Cb 1.22 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.56 1put n ALA 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1put s GLU 77 N 2.73 2.01 -0.18 0.00 1.03 -1.26 -4.87 118.70 118.16 1put s GLU 77 Ca 0.00 -1.06 -0.07 0.00 0.03 0.00 0.00 54.97 53.87 1put s GLU 77 Cb 0.00 -2.22 -0.04 0.00 -0.80 0.00 0.00 34.13 31.07 1put s GLU 77 CO 0.00 0.51 0.05 -1.17 -1.33 0.00 0.00 175.26 173.32 1put s LEU 78 N -1.97 3.77 0.36 1.83 0.20 -1.26 -5.03 118.68 116.57 1put s LEU 78 Ca 0.18 0.07 0.08 0.00 0.69 0.00 0.00 54.13 55.15 1put s LEU 78 Cb -0.11 -1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 43.67 1put s LEU 78 CO 0.10 0.18 0.26 -0.54 -0.29 0.00 0.00 176.35 176.05 1put s LYS 79 N 0.35 2.53 0.56 1.98 -0.14 -1.26 -4.96 119.74 118.80 1put s LYS 79 Ca 0.02 -1.47 0.29 0.00 -1.36 0.00 0.00 55.97 53.46 1put s LYS 79 Cb -0.12 -2.32 1.47 0.00 -1.68 0.00 0.00 37.83 35.17 1put s LYS 79 CO 0.00 0.02 1.91 -1.35 -0.76 0.00 0.00 175.35 175.18 1put h PRO 80 N 1.31 0.00 -0.44 -1.68 0.11 -2.00 0.22 132.00 129.51 1put h PRO 80 Ca -0.43 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1put h PRO 80 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1put h PRO 80 CO 0.61 0.00 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.40 1put h ASN 81 N 0.00 0.84 -4.10 -2.05 -0.26 -1.90 -3.44 115.58 104.67 1put h ASN 81 Ca 0.28 -0.35 -0.47 0.00 -0.56 0.00 0.00 56.30 55.21 1put h ASN 81 Cb 1.31 -0.23 0.08 0.00 -1.06 0.00 0.00 38.32 38.42 1put h ASN 81 CO -0.00 0.99 0.30 -0.94 -1.06 0.00 0.00 177.43 176.72 1put s SER 82 N -6.43 4.95 0.26 5.81 1.04 0.77 -0.89 113.70 119.22 1put s SER 82 Ca -0.12 0.70 -0.12 0.00 0.48 0.00 0.00 55.95 56.88 1put s SER 82 Cb 0.11 -1.38 0.05 0.00 0.10 0.00 0.00 66.02 64.89 1put s SER 82 CO 0.83 -1.56 0.61 0.54 0.98 0.00 0.00 173.24 174.64 1put n ARG 83 N -2.99 0.77 -2.80 4.02 5.12 -0.28 -4.68 116.66 115.82 1put n ARG 83 Ca 0.07 -1.54 -0.43 0.00 -1.93 0.00 0.00 57.85 54.03 1put n ARG 83 Cb 0.60 1.94 -0.04 0.00 -1.16 0.00 0.00 32.46 33.80 1put n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1put s LEU 84 N 0.00 3.99 0.33 0.55 1.02 -1.26 -3.11 118.68 120.20 1put s LEU 84 Ca 0.13 0.58 0.22 0.00 0.02 0.00 0.00 54.13 55.07 1put s LEU 84 Cb -0.03 -3.27 1.17 0.00 0.02 0.00 0.00 46.19 44.08 1put s LEU 84 CO 0.08 -0.87 1.66 0.00 0.02 0.00 0.00 176.35 177.24 1put n GLN 87 N -1.13 0.00 -4.21 0.00 -0.06 0.01 -4.46 117.38 107.53 1put n GLN 87 Ca 0.43 -0.24 -0.30 0.00 -2.00 0.00 0.00 57.00 54.89 1put n GLN 87 Cb 1.25 -0.18 -0.10 0.00 -4.06 0.00 0.00 30.24 27.16 1put n GLN 87 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1put s ILE 88 N 0.00 3.45 0.01 1.69 -1.09 -1.18 -4.92 121.20 119.16 1put s ILE 88 Ca 0.00 -1.25 0.05 0.00 -2.23 0.00 0.00 60.65 57.21 1put s ILE 88 Cb 0.00 -2.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1put s ILE 88 CO 0.00 0.10 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.04 1put s ILE 89 N -1.25 1.12 -1.08 2.92 -1.09 -1.26 -3.11 121.20 117.44 1put s ILE 89 Ca 0.22 -0.76 -0.11 0.00 -2.23 0.00 0.00 60.65 57.77 1put s ILE 89 Cb -0.11 -0.96 0.25 0.00 -1.58 0.00 0.00 42.46 40.05 1put s ILE 89 CO 0.14 0.19 1.11 -0.32 -1.23 0.00 0.00 174.94 174.84 1put s MET 90 N -0.65 4.07 0.90 2.79 -2.45 -0.44 -4.95 119.30 118.56 1put s MET 90 Ca 0.04 -2.94 -0.12 0.00 -1.25 0.00 0.00 55.69 51.42 1put s MET 90 Cb -0.06 -4.63 0.13 0.00 1.25 0.00 0.00 34.83 31.52 1put s MET 90 CO 0.00 -1.35 1.09 0.95 1.05 0.00 0.00 175.02 176.76 1put s THR 91 N -0.44 2.60 -0.34 10.11 -4.23 -1.26 -3.90 115.64 118.18 1put s THR 91 Ca 0.31 0.19 0.16 0.00 -1.18 0.00 0.00 61.69 61.17 1put s THR 91 Cb -0.09 -2.72 0.16 0.00 1.34 0.00 0.00 72.50 71.20 1put s THR 91 CO -0.07 -0.25 1.49 -2.65 -0.54 0.00 0.00 174.62 172.60 1put n PRO 92 N -3.87 0.11 0.04 3.99 -0.02 -1.26 -1.58 135.00 132.41 1put n PRO 92 Ca 0.07 0.60 -0.20 0.00 -2.02 0.00 0.00 63.50 61.95 1put n PRO 92 Cb 0.56 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 32.04 1put n PRO 92 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1put h GLU 93 N 0.00 0.51 -7.36 -0.52 4.39 -1.99 -3.45 114.58 106.15 1put h GLU 93 Ca 0.00 -0.62 -0.51 0.00 0.34 0.00 0.00 59.36 58.57 1put h GLU 93 Cb 0.05 0.19 0.06 0.00 -0.10 0.00 0.00 28.75 28.95 1put h GLU 93 CO 0.00 1.24 0.42 -0.51 -1.16 0.00 0.00 179.01 179.00 1put s LEU 94 N -8.11 3.23 -0.30 1.33 1.02 -0.61 -5.07 118.68 110.17 1put s LEU 94 Ca -0.12 1.41 -0.16 0.00 0.02 0.00 0.00 54.13 55.28 1put s LEU 94 Cb 0.04 -4.46 0.18 0.00 0.02 0.00 0.00 46.19 41.97 1put s LEU 94 CO 0.87 -0.87 1.12 1.51 0.02 0.00 0.00 176.35 179.00 1put s ASP 95 N -4.18 -0.31 -0.32 2.29 -4.77 -1.26 -4.55 116.67 103.56 1put s ASP 95 Ca 0.55 0.47 -0.02 0.00 -3.30 0.00 0.00 52.55 50.25 1put s ASP 95 Cb -0.11 1.25 0.00 0.00 -1.09 0.00 0.00 42.92 42.97 1put s ASP 95 CO 0.54 -0.07 0.28 0.61 0.70 0.00 0.00 175.17 177.23 1put n GLY 96 N 4.06 0.60 3.81 2.12 0.00 -0.58 -4.70 105.19 110.49 1put n GLY 96 Ca -0.13 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 1put n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1put s ILE 97 N -3.07 4.34 -0.32 -0.61 -1.16 -1.00 -4.95 121.20 114.43 1put s ILE 97 Ca 0.13 1.53 -0.03 0.00 -0.51 0.00 0.00 60.65 61.78 1put s ILE 97 Cb -0.06 -3.66 0.06 0.00 0.61 0.00 0.00 42.46 39.41 1put s ILE 97 CO 0.17 -0.24 0.04 -0.69 -2.81 0.00 0.00 174.94 171.41 1put s VAL 98 N -2.08 3.15 0.12 4.00 1.01 -1.26 -2.59 120.40 122.74 1put s VAL 98 Ca 0.60 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1put s VAL 98 Cb -0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1put s VAL 98 CO 0.15 -0.20 0.27 0.68 0.00 0.00 0.00 175.10 176.00 1put s VAL 99 N 1.26 5.34 0.43 2.92 -7.23 -0.48 -0.55 120.40 122.07 1put s VAL 99 Ca -0.03 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.63 1put s VAL 99 Cb -0.20 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 1put s VAL 99 CO -0.01 -0.02 0.14 -1.81 -0.31 0.00 0.00 175.10 173.09 1put s ASP 100 N -2.97 2.93 0.03 4.85 1.11 0.41 0.30 116.67 123.33 1put s ASP 100 Ca 0.35 -1.73 0.03 0.00 0.18 0.00 0.00 52.55 51.39 1put s ASP 100 Cb -0.12 0.59 -0.04 0.00 1.07 0.00 0.00 42.92 44.43 1put s ASP 100 CO 0.28 -0.98 -0.02 -0.69 1.18 0.00 0.00 175.17 174.94 1put s VAL 101 N -3.17 3.97 0.28 -1.27 1.01 -0.80 -1.80 120.40 118.63 1put s VAL 101 Ca 0.21 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 1put s VAL 101 Cb 0.01 -2.81 -0.13 0.00 0.00 0.00 0.00 36.38 33.46 1put s VAL 101 CO 0.14 0.28 1.26 -2.65 0.00 0.00 0.00 175.10 174.14 1put n PRO 102 N 1.12 1.87 -0.11 2.72 -0.02 -0.98 -4.32 135.00 135.28 1put n PRO 102 Ca -0.13 0.66 0.27 0.00 -2.02 0.00 0.00 63.50 62.27 1put n PRO 102 Cb 0.52 -2.22 0.64 0.00 -0.02 0.00 0.00 33.50 32.43 1put n PRO 102 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1put h ASP 103 N 3.07 0.00 -2.60 2.55 3.32 -1.98 -3.40 116.42 117.38 1put h ASP 103 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1put h ASP 103 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1put h ASP 103 CO 0.67 0.00 0.00 -2.11 -1.72 0.00 0.00 179.24 176.08 1put n ARG 104 N -3.61 2.40 -0.87 3.56 0.00 -1.26 -4.93 116.66 111.95 1put n ARG 104 Ca 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.97 1put n ARG 104 Cb 1.09 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 33.50 1put n ARG 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1put n GLN 105 N -0.10 0.00 -0.07 2.89 10.64 -1.26 -4.98 117.38 124.50 1put n GLN 105 Ca 0.00 -0.74 0.00 0.00 -1.83 0.00 0.00 57.00 54.43 1put n GLN 105 Cb 0.00 0.37 0.00 0.00 -0.86 0.00 0.00 30.24 29.75 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14