#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 0.99 -0.11 4.33 2.20 -1.26 -4.77 119.74 121.12 1put s LYS 2 Ca 0.00 -1.01 -0.06 0.00 -0.36 0.00 0.00 55.97 54.53 1put s LYS 2 Cb 0.00 0.37 0.04 0.00 -1.51 0.00 0.00 37.83 36.73 1put s LYS 2 CO 0.00 -0.34 0.26 0.08 -0.36 0.00 0.00 175.35 174.99 1put s VAL 3 N -3.90 -0.03 -0.07 4.02 1.01 -0.77 -2.30 120.40 118.36 1put s VAL 3 Ca 0.09 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1put s VAL 3 Cb 0.04 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1put s VAL 3 CO -0.07 0.05 -0.11 -0.69 0.00 0.00 0.00 175.10 174.28 1put s VAL 4 N 1.04 1.07 0.17 2.92 1.01 -0.68 -0.25 120.40 125.68 1put s VAL 4 Ca -0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1put s VAL 4 Cb -0.08 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1put s VAL 4 CO -0.07 0.35 0.35 -0.31 0.00 0.00 0.00 175.10 175.42 1put s TYR 5 N 0.92 3.49 0.00 5.22 2.02 -0.37 -1.27 117.35 127.35 1put s TYR 5 Ca -0.10 0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.95 1put s TYR 5 Cb -0.15 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1put s TYR 5 CO 0.01 0.43 -0.10 0.08 -1.57 0.00 0.00 175.55 174.39 1put s VAL 6 N -1.79 0.80 0.00 0.71 1.01 0.17 -0.70 120.40 120.61 1put s VAL 6 Ca 0.38 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1put s VAL 6 Cb -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1put s VAL 6 CO 0.28 0.13 0.00 -0.24 0.00 0.00 0.00 175.10 175.27 1put n SER 7 N 2.57 0.00 0.00 3.32 2.88 -0.80 0.18 113.62 121.78 1put n SER 7 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1put n SER 7 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1put n SER 7 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1put n HIS 8 N -0.11 0.00 -3.59 0.66 8.25 -1.23 -1.92 115.22 117.28 1put n HIS 8 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1put n HIS 8 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1put n HIS 8 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1put n ASP 9 N 0.00 4.20 0.00 0.41 -0.08 -1.26 -4.57 116.55 115.25 1put n ASP 9 Ca 0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1put n ASP 9 Cb 0.00 -0.99 0.00 0.00 2.34 0.00 0.00 41.12 42.47 1put n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1put n GLY 10 N 1.98 0.64 2.76 0.27 0.00 -1.26 -5.17 105.19 104.41 1put n GLY 10 Ca 0.23 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 -3.69 2.61 -1.04 -1.26 -4.97 114.28 105.93 1put n THR 11 Ca 0.00 -1.81 -0.15 0.00 -2.04 0.00 0.00 64.05 60.06 1put n THR 11 Cb 0.00 0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 68.77 1put n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1put s ARG 12 N -3.40 0.74 0.47 -2.82 1.70 -1.26 -1.90 118.95 112.48 1put s ARG 12 Ca 0.01 0.11 0.07 0.00 -0.47 0.00 0.00 55.73 55.45 1put s ARG 12 Cb -0.00 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 1put s ARG 12 CO 0.01 -0.20 0.46 1.03 -1.08 0.00 0.00 175.30 175.52 1put s ARG 13 N -0.95 2.44 0.29 3.89 0.52 0.13 -4.90 118.95 120.37 1put s ARG 13 Ca -0.10 -1.66 0.08 0.00 -0.52 0.00 0.00 55.73 53.53 1put s ARG 13 Cb -0.03 -2.37 -0.06 0.00 0.52 0.00 0.00 34.95 33.01 1put s ARG 13 CO 0.05 -0.41 -0.09 1.14 0.02 0.00 0.00 175.30 176.01 1put s GLN 14 N -4.26 1.61 0.08 3.54 -2.07 -1.26 -1.24 119.66 116.06 1put s GLN 14 Ca 0.47 -1.80 -0.12 0.00 -1.82 0.00 0.00 55.36 52.09 1put s GLN 14 Cb -0.04 -1.35 0.04 0.00 -1.09 0.00 0.00 33.01 30.57 1put s GLN 14 CO 0.28 0.11 0.58 1.47 -1.32 0.00 0.00 175.29 176.41 1put n LEU 15 N -0.62 0.00 -3.67 2.60 -0.00 0.65 -4.93 117.00 111.04 1put n LEU 15 Ca -0.06 -0.71 -0.29 0.00 -0.00 0.00 0.00 56.01 54.95 1put n LEU 15 Cb 0.63 1.45 -0.13 0.00 -0.00 0.00 0.00 43.42 45.37 1put n LEU 15 CO 0.40 -0.24 -0.27 -0.62 -0.00 0.00 0.00 177.39 176.66 1put s ASP 16 N -2.35 3.58 0.71 1.45 2.15 -1.26 -1.84 116.67 119.11 1put s ASP 16 Ca 0.13 -2.40 -0.16 0.00 0.43 0.00 0.00 52.55 50.55 1put s ASP 16 Cb -0.01 -0.89 0.03 0.00 -0.30 0.00 0.00 42.92 41.74 1put s ASP 16 CO 0.03 -0.30 1.22 -0.69 -0.17 0.00 0.00 175.17 175.26 1put s VAL 17 N 0.67 2.27 0.64 1.11 1.01 -1.26 -4.96 120.40 119.88 1put s VAL 17 Ca 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1put s VAL 17 Cb -0.23 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.44 1put s VAL 17 CO -0.03 -0.07 0.90 0.00 0.00 0.00 0.00 175.10 175.90 1put s ALA 18 N -1.88 3.66 -0.09 5.51 0.00 -1.26 -4.86 121.76 122.83 1put s ALA 18 Ca 0.76 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1put s ALA 18 Cb -0.30 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1put s ALA 18 CO 0.44 -1.10 1.08 -0.51 0.00 0.00 0.00 175.76 175.68 1put s ASP 19 N -4.54 7.17 0.00 0.00 1.01 -1.26 -3.07 116.67 115.97 1put s ASP 19 Ca 0.61 1.64 0.00 0.00 0.71 0.00 0.00 52.55 55.51 1put s ASP 19 Cb -0.09 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1put s ASP 19 CO 0.42 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.90 1put n GLY 20 N 3.20 0.89 3.51 0.21 0.00 -1.25 -5.04 105.19 106.71 1put n GLY 20 Ca 0.10 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 2.19 -0.08 1.61 1.01 -1.17 -5.00 120.40 116.97 1put s VAL 21 Ca 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 61.98 59.73 1put s VAL 21 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1put s VAL 21 CO 0.00 -0.26 0.02 -0.55 0.00 0.00 0.00 175.10 174.31 1put s SER 22 N -3.56 5.38 0.59 3.32 0.15 -1.26 -1.34 113.70 116.98 1put s SER 22 Ca 0.31 0.17 0.30 0.00 0.70 0.00 0.00 55.95 57.43 1put s SER 22 Cb 0.01 -1.54 1.28 0.00 -1.71 0.00 0.00 66.02 64.06 1put s SER 22 CO 0.15 0.37 1.63 -0.07 1.20 0.00 0.00 173.24 176.52 1put h LEU 23 N 5.00 0.00 -0.05 3.45 3.38 -1.81 0.87 115.31 126.15 1put h LEU 23 Ca -0.51 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 1put h LEU 23 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1put h LEU 23 CO 0.55 0.00 -0.12 -0.03 0.09 0.00 0.00 178.44 178.93 1put h MET 24 N 0.00 0.18 -0.11 1.13 4.05 -1.84 -2.40 114.93 115.93 1put h MET 24 Ca 0.39 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.74 1put h MET 24 Cb 2.12 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 32.87 1put h MET 24 CO -0.00 0.71 -0.34 0.37 0.23 0.00 0.00 176.91 177.88 1put h GLN 25 N -0.33 -0.41 -0.65 0.39 5.75 0.41 0.42 115.11 120.70 1put h GLN 25 Ca 0.00 0.03 0.17 0.00 -0.15 0.00 0.00 58.65 58.69 1put h GLN 25 Cb 0.71 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.32 1put h GLN 25 CO 0.03 -0.27 0.45 0.00 -2.65 0.00 0.00 178.83 176.39 1put h ALA 26 N 0.34 2.42 -0.89 3.38 0.00 -1.47 0.17 119.26 123.21 1put h ALA 26 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1put h ALA 26 Cb 0.57 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1put h ALA 26 CO -0.35 -0.60 0.51 0.00 0.00 0.00 0.00 179.25 178.81 1put h ALA 27 N 1.68 1.23 -0.38 0.00 0.00 0.36 -1.58 119.26 120.58 1put h ALA 27 Ca 0.31 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1put h ALA 27 Cb 1.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1put h ALA 27 CO -0.04 0.64 0.77 0.28 0.00 0.00 0.00 179.25 180.91 1put h VAL 28 N 1.23 0.08 0.00 0.00 2.07 0.04 0.27 116.25 119.95 1put h VAL 28 Ca 0.32 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.62 1put h VAL 28 Cb -0.01 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1put h VAL 28 CO -0.06 0.00 -1.69 -0.24 0.02 0.00 0.00 177.57 175.60 1put n SER 29 N -3.07 0.93 0.06 0.57 2.88 -0.70 -4.51 113.62 109.78 1put n SER 29 Ca 0.08 0.16 0.04 0.00 -1.33 0.00 0.00 58.87 57.81 1put n SER 29 Cb 0.91 -0.39 0.20 0.00 -0.75 0.00 0.00 64.21 64.18 1put n SER 29 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1put n ASN 30 N -3.60 0.19 0.00 -3.46 3.02 -0.68 -4.79 115.26 105.95 1put n ASN 30 Ca -0.25 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1put n ASN 30 Cb 0.67 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1put n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1put n GLY 31 N -1.42 2.98 0.35 7.41 0.00 -0.02 -4.84 105.19 109.64 1put n GLY 31 Ca -0.00 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.04 1put n GLY 31 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1put h ILE 32 N 0.00 0.07 -0.88 -0.61 -2.65 -1.85 -0.50 117.51 111.09 1put h ILE 32 Ca 0.00 0.00 0.21 0.00 1.03 0.00 0.00 64.86 66.10 1put h ILE 32 Cb 0.00 0.58 -0.16 0.00 -2.05 0.00 0.00 36.82 35.19 1put h ILE 32 CO 0.00 0.00 -0.05 0.10 0.03 0.00 0.00 178.15 178.23 1put h TYR 33 N 0.00 -0.16 0.00 0.16 -0.00 -1.52 1.36 116.97 116.81 1put h TYR 33 Ca 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 58.73 58.82 1put h TYR 33 Cb 0.94 0.21 -0.01 0.00 0.00 0.00 0.00 36.73 37.88 1put h TYR 33 CO 0.00 -0.34 -0.81 0.22 -0.00 0.00 0.00 178.16 177.23 1put h ASP 34 N 0.05 0.00 -0.13 0.10 1.82 -1.37 -3.25 116.42 113.64 1put h ASP 34 Ca 0.48 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.12 1put h ASP 34 Cb 0.88 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.89 1put h ASP 34 CO -0.82 0.12 0.00 -0.38 -1.61 0.00 0.00 179.24 176.55 1put n ILE 35 N -2.84 0.16 -3.73 2.25 2.08 0.38 -4.90 119.36 112.76 1put n ILE 35 Ca -0.00 -0.22 -0.01 0.00 0.56 0.00 0.00 62.75 63.07 1put n ILE 35 Cb 0.60 0.11 -0.01 0.00 -0.75 0.00 0.00 39.64 39.60 1put n ILE 35 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1put s VAL 36 N -1.84 0.00 0.06 1.39 0.11 0.35 -4.97 120.40 115.50 1put s VAL 36 Ca 0.26 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1put s VAL 36 Cb 0.13 -2.15 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1put s VAL 36 CO 0.21 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 1put n GLY 37 N -0.53 -1.78 0.00 6.54 0.00 -1.26 -4.57 105.19 103.60 1put n GLY 37 Ca -0.06 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1put n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1put n ASP 38 N -2.26 0.00 0.28 1.61 2.03 -1.26 -4.77 116.55 112.18 1put n ASP 38 Ca -0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.46 1put n ASP 38 Cb 0.09 0.00 0.82 0.00 -0.72 0.00 0.00 41.12 41.31 1put n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1put n GLY 40 N -0.61 -0.94 7.00 0.00 0.00 -1.26 -4.73 105.19 104.65 1put n GLY 40 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.94 1.46 2.79 -0.02 0.00 -1.26 -4.72 105.19 101.50 1put n GLY 41 Ca 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1put n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1put n SER 42 N 11.09 2.38 -4.60 1.61 7.64 -1.26 -4.81 113.62 125.67 1put n SER 42 Ca 0.00 -2.43 -0.43 0.00 1.01 0.00 0.00 58.87 57.02 1put n SER 42 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1put n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1put s ALA 43 N -2.59 2.76 0.00 -0.43 0.00 -1.26 -4.71 121.76 115.52 1put s ALA 43 Ca 0.20 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1put s ALA 43 Cb -0.02 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.04 1put s ALA 43 CO 0.13 -2.76 0.54 0.43 0.00 0.00 0.00 175.76 174.11 1put n SER 44 N 11.38 0.46 -0.05 0.00 7.64 -1.26 -5.05 113.62 126.74 1put n SER 44 Ca 0.28 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1put n SER 44 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 1.34 0.32 0.00 0.00 -1.26 -4.71 120.51 113.19 1put n ALA 46 Ca 0.00 -0.48 0.13 0.00 0.00 0.00 0.00 53.44 53.08 1put n ALA 46 Cb 0.00 -0.12 0.29 0.00 0.00 0.00 0.00 19.45 19.62 1put n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1put h THR 47 N 4.16 0.00 -0.45 0.00 1.03 -1.94 -3.26 112.91 112.45 1put h THR 47 Ca 0.00 -0.81 -0.29 0.00 -0.01 0.00 0.00 66.41 65.30 1put h THR 47 Cb 1.10 1.80 -0.12 0.00 -1.07 0.00 0.00 68.15 69.86 1put h THR 47 CO 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 175.52 175.81 1put n HIS 49 N 0.73 2.49 -2.78 0.00 -0.00 -1.23 -1.25 115.22 113.18 1put n HIS 49 Ca 0.28 -1.66 -0.37 0.00 0.46 0.00 0.00 57.72 56.43 1put n HIS 49 Cb 0.58 -2.27 -0.06 0.00 -0.12 0.00 0.00 29.99 28.11 1put n HIS 49 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1put s VAL 50 N 8.40 4.22 -0.40 3.57 -7.23 -0.99 -1.54 120.40 126.43 1put s VAL 50 Ca 0.63 1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 62.56 1put s VAL 50 Cb 0.05 -3.98 0.09 0.00 0.56 0.00 0.00 36.38 33.11 1put s VAL 50 CO 0.13 0.11 0.20 -0.31 -0.31 0.00 0.00 175.10 174.92 1put s TYR 51 N -1.65 3.46 0.18 2.82 2.02 -0.48 -2.22 117.35 121.47 1put s TYR 51 Ca 0.51 -2.05 0.04 0.00 -0.37 0.00 0.00 57.07 55.20 1put s TYR 51 Cb -0.18 -3.02 -0.03 0.00 -0.40 0.00 0.00 41.96 38.32 1put s TYR 51 CO 0.23 -0.92 0.27 0.08 -1.57 0.00 0.00 175.55 173.65 1put s VAL 52 N 1.26 5.14 0.87 0.71 1.01 -1.12 0.61 120.40 128.88 1put s VAL 52 Ca 0.05 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1put s VAL 52 Cb -0.23 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.55 1put s VAL 52 CO -0.02 -0.16 0.05 0.59 0.00 0.00 0.00 175.10 175.56 1put n ASN 53 N -0.74 -2.69 -0.85 3.32 5.03 -0.73 -4.83 115.26 113.76 1put n ASN 53 Ca -0.08 -0.23 0.11 0.00 0.87 0.00 0.00 54.58 55.25 1put n ASN 53 Cb 0.55 -0.67 0.09 0.00 -1.02 0.00 0.00 39.78 38.72 1put n ASN 53 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1put n GLU 54 N -0.33 2.01 -0.02 3.52 0.28 -1.26 -4.03 120.64 120.82 1put n GLU 54 Ca 0.03 -1.76 0.02 0.00 -0.16 0.00 0.00 57.16 55.30 1put n GLU 54 Cb 0.30 -1.42 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 1put n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1put n ALA 55 N 1.16 2.21 0.00 -1.84 0.00 -1.26 -4.58 120.51 116.20 1put n ALA 55 Ca 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.18 1put n ALA 55 Cb 0.54 -0.24 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.00 0.84 -0.27 0.00 3.72 -1.26 -4.06 117.46 114.43 1put n PHE 56 Ca -0.06 0.29 0.03 0.00 -0.05 0.00 0.00 57.45 57.66 1put n PHE 56 Cb 0.42 -1.08 0.25 0.00 -0.94 0.00 0.00 39.48 38.13 1put n PHE 56 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1put h THR 57 N 0.00 1.09 0.41 4.37 1.35 -1.81 -1.89 112.91 116.43 1put h THR 57 Ca -0.23 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.27 1put h THR 57 Cb 1.74 -0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1put h THR 57 CO 0.05 0.18 -0.27 0.44 -0.25 0.00 0.00 175.52 175.67 1put h ASP 58 N 1.01 -0.69 -1.01 5.36 3.32 -1.82 -2.38 116.42 120.21 1put h ASP 58 Ca 0.36 0.04 0.23 0.00 0.02 0.00 0.00 57.03 57.68 1put h ASP 58 Cb 0.13 0.21 -0.10 0.00 0.22 0.00 0.00 39.33 39.78 1put h ASP 58 CO -0.12 -0.41 0.63 0.11 -1.72 0.00 0.00 179.24 177.74 1put h LYS 59 N -0.64 0.52 -6.92 3.56 1.79 -1.71 -3.41 116.57 109.76 1put h LYS 59 Ca -0.05 -0.03 -0.54 0.00 -2.18 0.00 0.00 60.65 57.85 1put h LYS 59 Cb 0.52 -0.12 0.20 0.00 -1.58 0.00 0.00 32.23 31.25 1put h LYS 59 CO 0.04 0.34 -0.20 0.28 -1.08 0.00 0.00 179.45 178.83 1put n VAL 60 N -4.71 0.98 -1.02 0.50 0.31 -0.73 -4.90 118.33 108.77 1put n VAL 60 Ca 0.24 -0.23 -0.34 0.00 -0.01 0.00 0.00 64.34 64.01 1put n VAL 60 Cb 0.75 -0.84 0.12 0.00 -0.91 0.00 0.00 33.84 32.95 1put n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1put n PRO 61 N -2.15 0.03 -2.85 5.55 -0.02 -1.26 -4.94 135.00 129.36 1put n PRO 61 Ca 0.10 0.07 -0.34 0.00 -2.02 0.00 0.00 63.50 61.32 1put n PRO 61 Cb 0.52 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 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 -3.27 5.27 -1.32 3.55 0.00 -1.26 -4.98 120.51 118.50 1put n ALA 62 Ca 0.11 -4.68 -0.42 0.00 0.00 0.00 0.00 53.44 48.45 1put n ALA 62 Cb 0.51 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.02 -2.80 -0.73 0.00 0.00 -1.26 -4.88 120.51 110.82 1put n ALA 63 Ca 0.37 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.89 1put n ALA 63 Cb 0.33 -1.52 0.09 0.00 0.00 0.00 0.00 19.45 18.35 1put n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1put n ASN 64 N 2.18 -2.22 -0.02 0.00 2.04 -1.26 -4.89 115.26 111.10 1put n ASN 64 Ca 0.12 -0.25 0.11 0.00 -0.44 0.00 0.00 54.58 54.11 1put n ASN 64 Cb 0.39 -0.39 0.01 0.00 -2.53 0.00 0.00 39.78 37.26 1put n ASN 64 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 1put n GLU 65 N -1.65 0.04 -0.17 -3.83 2.13 -1.26 -4.34 120.64 111.55 1put n GLU 65 Ca 0.04 -0.03 -0.02 0.00 0.66 0.00 0.00 57.16 57.81 1put n GLU 65 Cb 0.17 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.44 1put n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1put h ARG 66 N 0.08 0.06 0.00 5.31 3.08 -2.01 0.36 114.38 121.25 1put h ARG 66 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1put h ARG 66 Cb 0.51 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1put h ARG 66 CO 0.00 0.04 -0.10 0.93 -1.07 0.00 0.00 179.97 179.77 1put h GLU 67 N 0.06 0.00 -0.26 0.04 5.08 -1.95 -3.04 114.58 114.51 1put h GLU 67 Ca 0.27 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1put h GLU 67 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1put h GLU 67 CO -0.49 0.10 -0.31 0.82 -1.00 0.00 0.00 179.01 178.13 1put h ILE 68 N 0.00 1.28 -0.08 3.13 5.03 -0.54 -2.41 117.51 123.92 1put h ILE 68 Ca -0.00 -1.40 0.04 0.00 -0.12 0.00 0.00 64.86 63.38 1put h ILE 68 Cb 0.81 1.42 -0.04 0.00 -3.03 0.00 0.00 36.82 35.97 1put h ILE 68 CO 0.01 0.44 -0.18 1.23 -0.68 0.00 0.00 178.15 178.97 1put h GLY 69 N 1.04 -0.19 2.00 5.37 0.00 -1.10 0.81 103.07 111.00 1put h GLY 69 Ca 0.06 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 1put h GLY 69 CO 0.06 -0.17 -0.15 1.98 0.00 0.00 0.00 176.54 178.26 1put h MET 70 N -0.26 0.00 -0.00 4.80 -1.53 -1.68 -1.30 114.93 114.96 1put h MET 70 Ca 0.08 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 1put h MET 70 Cb 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.42 1put h MET 70 CO -0.23 0.15 -0.30 -0.11 0.14 0.00 0.00 176.91 176.56 1put n LEU 71 N -3.54 0.64 0.13 3.39 7.94 0.11 -3.83 117.00 121.83 1put n LEU 71 Ca -0.01 -0.05 -0.21 0.00 -1.11 0.00 0.00 56.01 54.63 1put n LEU 71 Cb 0.29 -0.21 -0.15 0.00 0.53 0.00 0.00 43.42 43.88 1put n LEU 71 CO 0.31 0.13 -0.16 -0.08 -1.11 0.00 0.00 177.39 176.48 1put h GLU 72 N 0.53 0.42 -0.93 1.96 4.81 0.17 -3.29 114.58 118.25 1put h GLU 72 Ca 0.00 -0.72 -0.62 0.00 -0.13 0.00 0.00 59.36 57.90 1put h GLU 72 Cb 0.48 0.27 -0.31 0.00 0.63 0.00 0.00 28.75 29.81 1put h GLU 72 CO 0.00 1.34 0.51 0.00 -0.73 0.00 0.00 179.01 180.13 1put s VAL 74 N -4.57 1.65 -1.06 0.00 -7.23 -1.24 -4.82 120.40 103.12 1put s VAL 74 Ca 0.61 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.86 1put s VAL 74 Cb 0.48 -2.16 0.07 0.00 0.56 0.00 0.00 36.38 35.34 1put s VAL 74 CO 0.01 0.00 1.23 0.41 -0.31 0.00 0.00 175.10 176.44 1put n THR 75 N -5.13 1.38 -1.81 5.32 -1.04 -1.26 -4.68 114.28 107.06 1put n THR 75 Ca 0.08 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1put n THR 75 Cb 0.57 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1put n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1put n ALA 76 N -1.47 0.00 -2.65 2.41 0.00 -1.26 -4.84 120.51 112.70 1put n ALA 76 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 1put n ALA 76 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 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 2.37 2.35 -0.03 0.00 -1.05 -1.26 -4.95 118.70 116.13 1put s GLU 77 Ca 0.00 -1.16 0.03 0.00 -0.15 0.00 0.00 54.97 53.69 1put s GLU 77 Cb 0.00 -2.31 0.00 0.00 -0.44 0.00 0.00 34.13 31.38 1put s GLU 77 CO 0.00 0.44 -0.12 -1.17 0.95 0.00 0.00 175.26 175.36 1put s LEU 78 N -3.01 1.84 0.42 1.83 0.20 -1.26 -4.96 118.68 113.73 1put s LEU 78 Ca 0.28 -0.25 0.06 0.00 0.69 0.00 0.00 54.13 54.91 1put s LEU 78 Cb -0.09 -0.71 -0.06 0.00 -0.43 0.00 0.00 46.19 44.90 1put s LEU 78 CO 0.18 0.10 0.07 -0.54 -0.29 0.00 0.00 176.35 175.88 1put s LYS 79 N 0.13 2.07 0.04 1.98 1.02 -1.26 -4.99 119.74 118.74 1put s LYS 79 Ca -0.03 -2.05 0.02 0.00 0.02 0.00 0.00 55.97 53.93 1put s LYS 79 Cb -0.10 -1.75 0.13 0.00 -0.52 0.00 0.00 37.83 35.59 1put s LYS 79 CO 0.01 -0.12 1.01 -2.30 -0.92 0.00 0.00 175.35 173.04 1put n PRO 80 N -1.10 0.02 -0.57 -1.68 -0.01 -1.26 -1.25 135.00 129.15 1put n PRO 80 Ca -0.05 0.46 0.08 0.00 -0.01 0.00 0.00 63.50 63.98 1put n PRO 80 Cb 0.66 -1.62 0.31 0.00 -0.01 0.00 0.00 33.50 32.85 1put n PRO 80 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 1put n ASN 81 N -1.53 4.47 -4.97 2.55 4.05 -1.26 -4.98 115.26 113.59 1put n ASN 81 Ca -0.00 -2.64 -0.21 0.00 0.45 0.00 0.00 54.58 52.18 1put n ASN 81 Cb 0.07 -0.54 -0.02 0.00 1.23 0.00 0.00 39.78 40.52 1put n ASN 81 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1put s SER 82 N -1.18 6.21 0.00 1.20 0.01 -0.38 -2.79 113.70 116.77 1put s SER 82 Ca 0.46 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1put s SER 82 Cb 0.32 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1put s SER 82 CO 0.17 -0.14 0.00 0.54 0.41 0.00 0.00 173.24 174.22 1put n ARG 83 N -1.45 0.00 -4.11 12.44 1.74 -0.94 -4.97 116.66 119.37 1put n ARG 83 Ca -0.07 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.66 1put n ARG 83 Cb 0.57 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.91 1put n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1put s LEU 84 N 0.00 3.70 0.02 0.55 1.02 -1.26 -2.36 118.68 120.36 1put s LEU 84 Ca 0.00 0.06 0.11 0.00 0.02 0.00 0.00 54.13 54.32 1put s LEU 84 Cb 0.00 -1.92 0.49 0.00 0.02 0.00 0.00 46.19 44.79 1put s LEU 84 CO 0.00 0.20 1.36 0.00 0.02 0.00 0.00 176.35 177.93 1put n GLN 87 N 0.03 -0.23 -3.79 0.00 -0.06 -0.60 -4.67 117.38 108.07 1put n GLN 87 Ca 0.17 -0.19 -0.33 0.00 -2.00 0.00 0.00 57.00 54.65 1put n GLN 87 Cb 0.69 -0.67 -0.05 0.00 -4.06 0.00 0.00 30.24 26.15 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 -0.02 5.31 0.34 1.69 1.01 -1.12 -4.84 121.20 123.55 1put s ILE 88 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.71 1put s ILE 88 Cb 0.00 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 1put s ILE 88 CO 0.00 0.24 -0.07 -0.63 0.00 0.00 0.00 174.94 174.48 1put s ILE 89 N -1.43 2.07 -0.49 2.92 -1.09 -1.26 -3.28 121.20 118.64 1put s ILE 89 Ca 0.32 -2.16 0.03 0.00 -2.23 0.00 0.00 60.65 56.61 1put s ILE 89 Cb -0.13 -2.66 0.13 0.00 -1.58 0.00 0.00 42.46 38.22 1put s ILE 89 CO 0.21 -0.19 0.25 -0.32 -1.23 0.00 0.00 174.94 173.66 1put s MET 90 N -3.65 1.75 0.51 2.79 1.75 -0.45 -4.74 119.30 117.26 1put s MET 90 Ca 0.32 -2.41 -0.04 0.00 -1.25 0.00 0.00 55.69 52.31 1put s MET 90 Cb 0.04 -3.01 -0.01 0.00 2.84 0.00 0.00 34.83 34.68 1put s MET 90 CO 0.16 -1.12 0.80 0.95 -0.65 0.00 0.00 175.02 175.16 1put s THR 91 N -0.06 4.30 -0.30 10.11 -4.23 -1.26 -3.81 115.64 120.39 1put s THR 91 Ca 0.17 -0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.85 1put s THR 91 Cb -0.25 -3.65 0.17 0.00 1.34 0.00 0.00 72.50 70.11 1put s THR 91 CO -0.00 -0.62 1.51 -2.65 -0.54 0.00 0.00 174.62 172.32 1put n PRO 92 N -2.34 0.11 -0.05 3.99 -0.02 -1.26 -1.84 135.00 133.59 1put n PRO 92 Ca 0.02 0.60 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 1put n PRO 92 Cb 0.56 -1.90 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 1put n PRO 92 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1put h GLU 93 N 0.00 0.37 -6.90 -0.52 4.11 -1.99 -3.44 114.58 106.21 1put h GLU 93 Ca 0.00 -0.22 -0.47 0.00 0.07 0.00 0.00 59.36 58.73 1put h GLU 93 Cb 0.07 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1put h GLU 93 CO 0.00 0.81 0.37 -0.51 0.07 0.00 0.00 179.01 179.75 1put s LEU 94 N -8.96 4.31 -0.12 3.06 1.02 -0.76 -5.05 118.68 112.17 1put s LEU 94 Ca -0.14 1.92 -0.05 0.00 0.02 0.00 0.00 54.13 55.88 1put s LEU 94 Cb 0.05 -4.02 0.06 0.00 0.02 0.00 0.00 46.19 42.29 1put s LEU 94 CO 0.76 -0.17 0.25 1.51 0.02 0.00 0.00 176.35 178.72 1put s ASP 95 N -1.55 0.27 -0.33 2.29 -4.77 -1.26 -4.24 116.67 107.08 1put s ASP 95 Ca 0.51 0.55 -0.02 0.00 -3.30 0.00 0.00 52.55 50.30 1put s ASP 95 Cb -0.20 0.60 0.00 0.00 -1.09 0.00 0.00 42.92 42.22 1put s ASP 95 CO 0.26 -0.23 0.27 0.61 0.70 0.00 0.00 175.17 176.78 1put n GLY 96 N 5.12 0.58 3.73 2.12 0.00 -0.97 -4.73 105.19 111.03 1put n GLY 96 Ca -0.10 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.04 4.26 -0.35 -0.61 -1.16 -1.10 -4.89 121.20 114.31 1put s ILE 97 Ca 0.13 1.88 -0.08 0.00 -0.51 0.00 0.00 60.65 62.07 1put s ILE 97 Cb -0.06 -4.20 0.03 0.00 0.61 0.00 0.00 42.46 38.85 1put s ILE 97 CO 0.17 0.29 0.15 -0.69 -2.81 0.00 0.00 174.94 172.04 1put s VAL 98 N 0.00 4.14 0.00 4.00 1.01 -1.26 -1.69 120.40 126.61 1put s VAL 98 Ca 0.49 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1put s VAL 98 Cb -0.26 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1put s VAL 98 CO 0.31 -0.20 0.17 0.68 0.00 0.00 0.00 175.10 176.06 1put s VAL 99 N 1.47 5.30 0.44 2.92 -7.23 -0.40 -1.78 120.40 121.12 1put s VAL 99 Ca 0.00 -0.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.97 1put s VAL 99 Cb -0.19 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1put s VAL 99 CO 0.05 0.30 0.03 -1.81 -0.31 0.00 0.00 175.10 173.35 1put s ASP 100 N -1.98 3.67 0.01 4.85 1.01 0.20 0.46 116.67 124.88 1put s ASP 100 Ca 0.28 -1.52 0.02 0.00 0.71 0.00 0.00 52.55 52.03 1put s ASP 100 Cb -0.13 0.11 -0.04 0.00 1.01 0.00 0.00 42.92 43.88 1put s ASP 100 CO 0.19 -0.69 -0.00 -0.69 0.21 0.00 0.00 175.17 174.20 1put s VAL 101 N -2.91 4.13 0.95 -1.27 1.01 0.49 -1.38 120.40 121.43 1put s VAL 101 Ca 0.22 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1put s VAL 101 Cb 0.06 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.60 1put s VAL 101 CO 0.11 0.35 0.27 -2.65 0.00 0.00 0.00 175.10 173.19 1put n PRO 102 N 1.32 -0.24 0.12 2.72 -0.02 -0.59 -3.53 135.00 134.78 1put n PRO 102 Ca -0.14 -0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.43 1put n PRO 102 Cb 0.53 -1.76 0.45 0.00 -0.02 0.00 0.00 33.50 32.70 1put n PRO 102 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1put n ASP 103 N -0.74 0.74 0.00 2.55 9.92 -1.26 -4.18 116.55 123.58 1put n ASP 103 Ca 0.06 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 1put n ASP 103 Cb 0.54 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 1put n ASP 103 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1put n ARG 104 N -2.25 3.99 -0.87 -1.24 3.00 -1.26 -5.00 116.66 113.04 1put n ARG 104 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.83 1put n ARG 104 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.74 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 0.00 0.00 -0.07 5.56 10.64 -1.26 -5.01 117.38 127.25 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 0.36 0.00 0.00 -0.86 0.00 0.00 30.24 29.74 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14