#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 1.06 0.08 1.43 2.20 -1.26 -4.61 119.74 118.64 1put s LYS 2 Ca 0.00 -1.49 -0.16 0.00 -0.36 0.00 0.00 55.97 53.96 1put s LYS 2 Cb 0.00 -0.32 0.03 0.00 -1.51 0.00 0.00 37.83 36.03 1put s LYS 2 CO 0.00 -0.08 0.37 0.08 -0.36 0.00 0.00 175.35 175.36 1put s VAL 3 N -3.59 0.07 -0.28 4.02 1.01 -0.00 -1.46 120.40 120.17 1put s VAL 3 Ca 0.21 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1put s VAL 3 Cb 0.05 -1.07 0.13 0.00 0.00 0.00 0.00 36.38 35.49 1put s VAL 3 CO 0.02 -0.33 0.60 -0.69 0.00 0.00 0.00 175.10 174.70 1put s VAL 4 N -3.14 -0.94 0.28 2.92 1.01 -0.84 -1.02 120.40 118.67 1put s VAL 4 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1put s VAL 4 Cb 0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1put s VAL 4 CO -0.07 0.01 0.48 -0.31 0.00 0.00 0.00 175.10 175.21 1put s TYR 5 N 2.84 3.49 0.37 5.22 1.51 -0.25 -0.94 117.35 129.60 1put s TYR 5 Ca -0.03 0.37 0.06 0.00 -1.01 0.00 0.00 57.07 56.46 1put s TYR 5 Cb -0.12 -1.90 -0.07 0.00 -0.11 0.00 0.00 41.96 39.76 1put s TYR 5 CO -0.18 0.24 0.02 0.08 -1.11 0.00 0.00 175.55 174.60 1put s VAL 6 N -2.10 1.69 0.28 0.71 1.01 0.19 -1.73 120.40 120.46 1put s VAL 6 Ca 0.40 -2.01 0.09 0.00 0.00 0.00 0.00 61.98 60.45 1put s VAL 6 Cb -0.10 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1put s VAL 6 CO 0.32 -0.02 -0.12 -0.94 0.00 0.00 0.00 175.10 174.34 1put s SER 7 N -3.61 3.16 0.00 3.32 1.04 0.67 -1.95 113.70 116.32 1put s SER 7 Ca 0.35 -1.12 0.08 0.00 0.48 0.00 0.00 55.95 55.74 1put s SER 7 Cb 0.09 -0.24 0.39 0.00 0.10 0.00 0.00 66.02 66.36 1put s SER 7 CO 0.17 -0.18 1.15 0.00 0.98 0.00 0.00 173.24 175.35 1put n HIS 8 N -0.60 0.00 0.50 5.02 1.44 -1.26 -1.41 115.22 118.90 1put n HIS 8 Ca -0.06 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.71 1put n HIS 8 Cb 0.62 -0.33 -0.01 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.33 1.15 0.00 4.39 2.03 -1.26 -4.99 116.55 116.55 1put n ASP 9 Ca 0.03 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1put n ASP 9 Cb 0.07 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 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 0.99 1.68 3.54 0.27 0.00 -0.50 -5.05 105.19 106.13 1put n GLY 10 Ca 0.04 -0.37 -0.53 0.00 0.00 0.00 0.00 46.02 45.16 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 0.25 -3.92 2.61 -1.04 -1.26 -4.30 114.28 106.61 1put n THR 11 Ca 0.00 -0.16 -0.23 0.00 -2.04 0.00 0.00 64.05 61.62 1put n THR 11 Cb 0.00 -1.45 -0.17 0.00 -1.82 0.00 0.00 70.33 66.89 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 5.17 0.88 0.53 -2.82 1.70 -1.25 -0.24 118.95 122.92 1put s ARG 12 Ca 1.05 -0.03 0.06 0.00 -0.47 0.00 0.00 55.73 56.34 1put s ARG 12 Cb -0.96 -1.07 0.05 0.00 -0.57 0.00 0.00 34.95 32.40 1put s ARG 12 CO 0.56 -0.23 0.73 1.03 -1.08 0.00 0.00 175.30 176.31 1put s ARG 13 N 1.61 2.47 -0.03 3.89 0.52 -0.70 -4.84 118.95 121.86 1put s ARG 13 Ca 0.00 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1put s ARG 13 Cb -0.13 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.72 1put s ARG 13 CO -0.04 -0.68 -0.09 1.14 0.02 0.00 0.00 175.30 175.65 1put s GLN 14 N -4.62 1.04 0.27 3.54 -2.07 -1.26 -1.09 119.66 115.47 1put s GLN 14 Ca 0.59 -0.30 0.04 0.00 -1.82 0.00 0.00 55.36 53.87 1put s GLN 14 Cb -0.08 -0.96 -0.01 0.00 -1.09 0.00 0.00 33.01 30.87 1put s GLN 14 CO 0.37 0.09 0.14 1.47 -1.32 0.00 0.00 175.29 176.04 1put n LEU 15 N 3.41 0.00 -3.63 2.60 -0.00 -0.19 -4.95 117.00 114.23 1put n LEU 15 Ca -0.19 -2.24 -0.28 0.00 -0.00 0.00 0.00 56.01 53.30 1put n LEU 15 Cb 0.54 0.91 -0.11 0.00 -0.00 0.00 0.00 43.42 44.76 1put n LEU 15 CO 0.25 -0.36 -0.19 -1.81 -0.00 0.00 0.00 177.39 175.28 1put s ASP 16 N -2.74 3.06 -0.23 1.45 1.01 -1.26 -0.82 116.67 117.15 1put s ASP 16 Ca 0.20 -3.36 -0.29 0.00 0.71 0.00 0.00 52.55 49.81 1put s ASP 16 Cb 0.01 -0.99 -0.03 0.00 1.01 0.00 0.00 42.92 42.92 1put s ASP 16 CO 0.14 -0.14 1.67 -0.69 0.21 0.00 0.00 175.17 176.36 1put s VAL 17 N -0.56 3.62 1.13 -1.27 1.01 -1.26 -4.97 120.40 118.11 1put s VAL 17 Ca 0.28 0.70 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 1put s VAL 17 Cb -0.02 -3.66 0.19 0.00 0.00 0.00 0.00 36.38 32.89 1put s VAL 17 CO -0.17 -0.29 0.32 0.00 0.00 0.00 0.00 175.10 174.96 1put n ALA 18 N 8.73 -2.76 -2.69 5.51 0.00 -1.26 -4.66 120.51 123.38 1put n ALA 18 Ca 0.20 -1.29 -0.41 0.00 0.00 0.00 0.00 53.44 51.94 1put n ALA 18 Cb 0.45 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.12 7.10 0.00 0.00 1.01 -1.26 -3.32 116.67 118.08 1put s ASP 19 Ca 0.49 1.34 0.00 0.00 0.71 0.00 0.00 52.55 55.09 1put s ASP 19 Cb -0.10 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1put s ASP 19 CO 0.50 -0.33 0.00 0.61 0.21 0.00 0.00 175.17 176.16 1put n GLY 20 N 3.21 1.00 3.55 0.21 0.00 -0.68 -4.93 105.19 107.56 1put n GLY 20 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 3.04 -0.10 1.61 1.01 -1.21 -4.90 120.40 117.85 1put s VAL 21 Ca 0.00 -1.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 1put s VAL 21 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1put s VAL 21 CO 0.00 -0.16 0.40 -0.55 0.00 0.00 0.00 175.10 174.79 1put s SER 22 N -2.96 6.65 0.56 3.32 0.15 -1.26 -0.27 113.70 119.89 1put s SER 22 Ca 0.25 0.77 0.44 0.00 0.70 0.00 0.00 55.95 58.11 1put s SER 22 Cb -0.08 -2.24 1.61 0.00 -1.71 0.00 0.00 66.02 63.59 1put s SER 22 CO 0.15 0.13 1.62 -0.07 1.20 0.00 0.00 173.24 176.26 1put h LEU 23 N 6.11 0.00 0.02 3.45 3.38 -1.79 0.99 115.31 127.47 1put h LEU 23 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 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 0.71 0.00 -0.01 -0.03 0.09 0.00 0.00 178.44 179.20 1put h MET 24 N 0.00 -0.03 -0.50 1.13 4.05 -1.80 -0.69 114.93 117.08 1put h MET 24 Ca 0.78 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 60.30 1put h MET 24 Cb 3.22 0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 33.93 1put h MET 24 CO -0.01 0.49 -0.17 0.37 0.23 0.00 0.00 176.91 177.82 1put h GLN 25 N -0.57 -0.05 -0.17 0.39 5.75 0.71 0.64 115.11 121.80 1put h GLN 25 Ca -0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1put h GLN 25 Cb 0.54 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1put h GLN 25 CO 0.01 -0.03 -0.06 0.00 -2.65 0.00 0.00 178.83 176.09 1put h ALA 26 N 1.38 1.59 0.00 3.38 0.00 -1.39 -0.76 119.26 123.46 1put h ALA 26 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1put h ALA 26 Cb 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1put h ALA 26 CO -0.54 0.30 -0.06 0.00 0.00 0.00 0.00 179.25 178.95 1put h ALA 27 N 1.70 1.44 -0.75 0.00 0.00 0.18 -1.62 119.26 120.22 1put h ALA 27 Ca 0.05 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1put h ALA 27 Cb 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1put h ALA 27 CO 0.01 0.08 0.45 0.28 0.00 0.00 0.00 179.25 180.07 1put h VAL 28 N 0.00 1.03 0.00 0.00 2.07 0.07 0.37 116.25 119.79 1put h VAL 28 Ca -0.00 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1put h VAL 28 Cb 0.16 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1put h VAL 28 CO 0.01 0.15 -0.26 -1.28 0.02 0.00 0.00 177.57 176.21 1put h SER 29 N 0.84 0.00 0.00 0.57 0.87 -1.50 -3.26 113.55 111.07 1put h SER 29 Ca 0.32 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1put h SER 29 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1put h SER 29 CO -0.16 0.95 0.22 0.78 -0.53 0.00 0.00 176.83 178.09 1put h ASN 30 N -1.00 0.00 -0.06 6.23 2.35 -1.26 -3.44 115.58 118.40 1put h ASN 30 Ca -0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1put h ASN 30 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 1put h ASN 30 CO -0.04 0.00 -0.02 0.61 -1.65 0.00 0.00 177.43 176.33 1put n GLY 31 N -1.25 0.43 0.09 2.83 0.00 0.11 -4.91 105.19 102.49 1put n GLY 31 Ca -0.01 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.16 1.18 -0.26 -0.61 5.41 0.06 -3.63 119.36 118.35 1put n ILE 32 Ca -0.01 -0.80 0.07 0.00 1.00 0.00 0.00 62.75 63.01 1put n ILE 32 Cb 0.12 -0.43 0.19 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.15 -0.00 1.39 -0.00 -1.59 1.01 116.97 117.93 1put h TYR 33 Ca -0.44 0.05 -0.16 0.00 -0.00 0.00 0.00 58.73 58.18 1put h TYR 33 Cb 2.03 0.05 -0.02 0.00 -0.00 0.00 0.00 36.73 38.79 1put h TYR 33 CO 0.00 -0.17 -0.73 0.22 -0.00 0.00 0.00 178.16 177.48 1put h ASP 34 N 0.19 0.05 0.00 0.10 3.58 -1.81 -2.21 116.42 116.31 1put h ASP 34 Ca 0.44 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1put h ASP 34 Cb 0.78 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1put h ASP 34 CO -0.60 0.76 0.04 0.40 -2.88 0.00 0.00 179.24 176.97 1put h ILE 35 N 0.02 0.00 -0.49 2.25 2.04 0.96 -3.35 117.51 118.94 1put h ILE 35 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1put h ILE 35 Cb 1.29 0.69 -0.16 0.00 -0.74 0.00 0.00 36.82 37.90 1put h ILE 35 CO 0.10 0.00 -0.26 0.54 0.00 0.00 0.00 178.15 178.53 1put s VAL 36 N -3.82 -0.49 0.31 1.67 0.11 -0.56 -5.08 120.40 112.53 1put s VAL 36 Ca -0.03 -0.40 -0.18 0.00 -2.93 0.00 0.00 61.98 58.43 1put s VAL 36 Cb 0.09 0.00 0.07 0.00 -1.53 0.00 0.00 36.38 35.01 1put s VAL 36 CO 0.28 0.00 0.90 -0.83 -3.33 0.00 0.00 175.10 172.13 1put s GLY 37 N 1.12 0.29 0.03 6.54 0.00 -0.86 -4.46 107.32 109.97 1put s GLY 37 Ca 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1put s GLY 37 CO -0.09 0.97 0.00 1.34 0.00 0.00 0.00 173.10 175.32 1put n ASP 38 N -1.40 -0.26 -0.23 1.64 2.03 -1.26 -4.71 116.55 112.36 1put n ASP 38 Ca -0.06 0.06 0.02 0.00 0.52 0.00 0.00 54.79 55.33 1put n ASP 38 Cb 0.60 0.62 0.05 0.00 -0.72 0.00 0.00 41.12 41.67 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 0.69 -0.28 0.42 0.00 0.00 -1.26 -2.64 105.19 102.12 1put n GLY 40 Ca 0.04 -1.04 0.20 0.00 0.00 0.00 0.00 46.02 45.22 1put n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1put h GLY 41 N 0.00 0.00 -0.99 -0.02 0.00 -1.95 -3.41 103.07 96.70 1put h GLY 41 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1put h GLY 41 CO 0.00 0.00 -0.15 1.44 0.00 0.00 0.00 176.54 177.83 1put n SER 42 N -3.29 -3.67 -3.53 0.19 7.64 -1.08 -4.07 113.62 105.82 1put n SER 42 Ca 0.10 -0.72 -0.29 0.00 1.01 0.00 0.00 58.87 58.97 1put n SER 42 Cb 0.92 -1.06 -0.13 0.00 -1.01 0.00 0.00 64.21 62.93 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 -2.18 1.15 0.00 -0.43 0.00 -1.26 -4.60 121.76 114.44 1put s ALA 43 Ca 0.68 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1put s ALA 43 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1put s ALA 43 CO 0.59 -2.05 0.60 0.45 0.00 0.00 0.00 175.76 175.35 1put n SER 44 N 4.08 -0.20 0.00 0.00 2.88 -1.26 -5.01 113.62 114.10 1put n SER 44 Ca 0.09 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 1put n SER 44 Cb 0.37 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1put n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1put n ALA 46 N -3.00 1.98 0.16 0.00 0.00 -1.26 -4.35 120.51 114.04 1put n ALA 46 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1put n ALA 46 Cb 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 19.45 19.41 1put n ALA 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1put h THR 47 N 5.17 0.00 -0.44 0.00 1.35 -1.86 -3.36 112.91 113.77 1put h THR 47 Ca 0.00 -0.94 -0.28 0.00 -0.55 0.00 0.00 66.41 64.64 1put h THR 47 Cb 1.04 1.44 -0.11 0.00 -1.73 0.00 0.00 68.15 68.79 1put h THR 47 CO 0.00 0.00 0.22 0.00 -0.25 0.00 0.00 175.52 175.49 1put n HIS 49 N 0.97 2.56 -3.20 0.00 -0.00 -1.26 -3.16 115.22 111.13 1put n HIS 49 Ca 0.30 -2.65 -0.34 0.00 -0.00 0.00 0.00 57.72 55.03 1put n HIS 49 Cb 0.60 -2.25 -0.06 0.00 -0.00 0.00 0.00 29.99 28.28 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 3.24 4.71 -0.34 3.57 -7.23 -1.25 -1.62 120.40 121.48 1put s VAL 50 Ca 0.54 0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 61.58 1put s VAL 50 Cb 0.15 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.42 1put s VAL 50 CO -0.04 -0.01 0.14 -0.31 -0.31 0.00 0.00 175.10 174.58 1put s TYR 51 N -1.77 3.22 0.52 2.82 1.51 -0.85 -2.84 117.35 119.97 1put s TYR 51 Ca 0.48 -1.11 0.03 0.00 -1.01 0.00 0.00 57.07 55.45 1put s TYR 51 Cb -0.13 -2.33 0.03 0.00 -0.11 0.00 0.00 41.96 39.42 1put s TYR 51 CO 0.19 -0.65 0.73 0.08 -1.11 0.00 0.00 175.55 174.79 1put s VAL 52 N 1.49 2.73 0.38 0.71 1.01 -0.65 0.19 120.40 126.26 1put s VAL 52 Ca 0.01 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1put s VAL 52 Cb -0.19 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1put s VAL 52 CO 0.04 0.00 1.08 0.20 0.00 0.00 0.00 175.10 176.42 1put s ASN 53 N -4.41 6.81 0.00 3.32 0.02 0.61 -4.81 114.94 116.48 1put s ASN 53 Ca 0.57 2.13 0.12 0.00 -1.02 0.00 0.00 52.86 54.66 1put s ASN 53 Cb -0.10 -2.60 0.62 0.00 0.02 0.00 0.00 41.25 39.19 1put s ASN 53 CO 0.37 -0.46 1.27 -1.84 0.02 0.00 0.00 177.10 176.46 1put n GLU 54 N 0.20 0.20 -0.06 -0.60 -0.00 -1.26 -1.66 120.64 117.46 1put n GLU 54 Ca 0.04 0.15 -0.09 0.00 -0.00 0.00 0.00 57.16 57.25 1put n GLU 54 Cb 0.48 -1.50 -0.15 0.00 -0.00 0.00 0.00 31.44 30.27 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 -1.24 1.50 0.23 -1.84 0.00 -1.26 -4.31 120.51 113.58 1put n ALA 55 Ca 0.06 -1.04 0.11 0.00 0.00 0.00 0.00 53.44 52.57 1put n ALA 55 Cb 0.09 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.90 0.15 -0.13 0.00 3.01 -0.99 -4.22 117.46 112.38 1put n PHE 56 Ca -0.25 0.04 -0.04 0.00 1.01 0.00 0.00 57.45 58.22 1put n PHE 56 Cb 1.10 -0.47 0.16 0.00 -0.01 0.00 0.00 39.48 40.26 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 1.24 0.64 4.37 1.35 -1.50 -1.64 112.91 117.37 1put h THR 57 Ca 0.00 -0.93 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 1put h THR 57 Cb 0.89 0.77 0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1put h THR 57 CO 0.00 0.34 -0.31 0.44 -0.25 0.00 0.00 175.52 175.74 1put h ASP 58 N 0.79 -0.73 -1.01 5.36 5.19 -1.75 -2.94 116.42 121.33 1put h ASP 58 Ca 0.16 0.03 0.23 0.00 -0.62 0.00 0.00 57.03 56.82 1put h ASP 58 Cb 0.38 0.19 -0.10 0.00 0.18 0.00 0.00 39.33 39.98 1put h ASP 58 CO 0.01 -0.44 0.62 0.11 -3.12 0.00 0.00 179.24 176.42 1put h LYS 59 N -1.02 0.57 -6.70 3.56 6.56 -1.74 -3.41 116.57 114.38 1put h LYS 59 Ca -0.09 -0.03 -0.52 0.00 -1.06 0.00 0.00 60.65 58.94 1put h LYS 59 Cb 0.66 -0.13 0.22 0.00 -0.57 0.00 0.00 32.23 32.41 1put h LYS 59 CO 0.14 0.37 -0.76 1.55 -2.06 0.00 0.00 179.45 178.70 1put n VAL 60 N -4.74 0.00 -0.75 0.50 3.14 -0.62 -4.90 118.33 110.96 1put n VAL 60 Ca 0.25 -0.23 -0.31 0.00 -2.96 0.00 0.00 64.34 61.08 1put n VAL 60 Cb 0.71 -0.56 0.16 0.00 -1.06 0.00 0.00 33.84 33.09 1put n VAL 60 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1put n PRO 61 N -1.36 -0.35 -2.73 1.45 -0.02 -1.26 -4.95 135.00 125.79 1put n PRO 61 Ca 0.05 -0.03 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 1put n PRO 61 Cb 0.55 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 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 -4.08 5.42 -1.51 3.55 0.00 -1.26 -5.01 120.51 117.61 1put n ALA 62 Ca 0.12 -4.61 -0.54 0.00 0.00 0.00 0.00 53.44 48.41 1put n ALA 62 Cb 0.52 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.20 -2.54 -0.73 0.00 0.00 -1.26 -4.88 120.51 110.90 1put n ALA 63 Ca 0.40 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 54.32 1put n ALA 63 Cb 0.34 -1.83 0.09 0.00 0.00 0.00 0.00 19.45 18.04 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 1.84 -2.22 0.07 0.00 6.94 -1.26 -4.87 115.26 115.75 1put n ASN 64 Ca 0.18 -0.25 0.12 0.00 -0.02 0.00 0.00 54.58 54.61 1put n ASN 64 Cb 0.16 -0.39 0.10 0.00 -2.36 0.00 0.00 39.78 37.30 1put n ASN 64 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1put h GLU 65 N 0.00 0.00 -0.44 -3.83 4.81 -1.99 -3.37 114.58 109.76 1put h GLU 65 Ca -0.11 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1put h GLU 65 Cb 0.39 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 1put h GLU 65 CO 0.07 0.00 -0.47 -0.09 -0.73 0.00 0.00 179.01 177.79 1put h ARG 66 N 0.00 -0.25 0.00 1.92 9.65 -2.01 0.63 114.38 124.32 1put h ARG 66 Ca 0.00 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1put h ARG 66 Cb 0.82 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.45 1put h ARG 66 CO 0.00 -0.17 -0.12 0.93 2.80 0.00 0.00 179.97 183.42 1put h GLU 67 N -0.26 0.00 -0.20 0.20 3.07 -1.94 -2.23 114.58 113.22 1put h GLU 67 Ca 0.08 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1put h GLU 67 Cb 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1put h GLU 67 CO -0.55 0.12 -0.03 0.82 -1.40 0.00 0.00 179.01 177.96 1put h ILE 68 N 0.00 1.15 -0.30 3.13 2.04 0.04 -2.74 117.51 120.83 1put h ILE 68 Ca -0.00 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1put h ILE 68 Cb 0.40 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 1put h ILE 68 CO 0.02 0.20 -0.17 1.23 0.00 0.00 0.00 178.15 179.42 1put h GLY 69 N 0.64 0.05 2.00 5.37 0.00 -0.47 0.74 103.07 111.41 1put h GLY 69 Ca 0.07 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1put h GLY 69 CO 0.01 -0.17 -0.11 -0.33 0.00 0.00 0.00 176.54 175.93 1put h MET 70 N -0.13 0.00 -0.00 4.80 2.86 -1.65 -1.35 114.93 119.45 1put h MET 70 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1put h MET 70 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1put h MET 70 CO -0.38 0.11 -0.34 -0.11 1.06 0.00 0.00 176.91 177.24 1put n LEU 71 N -3.44 0.77 0.09 1.22 -0.00 0.92 -3.90 117.00 112.67 1put n LEU 71 Ca -0.01 -0.13 -0.19 0.00 -0.00 0.00 0.00 56.01 55.68 1put n LEU 71 Cb 0.27 -0.18 -0.15 0.00 -0.00 0.00 0.00 43.42 43.37 1put n LEU 71 CO 0.29 0.16 -0.25 -0.08 -0.00 0.00 0.00 177.39 177.51 1put h GLU 72 N 0.67 0.33 -2.54 1.96 4.57 0.15 -3.34 114.58 116.38 1put h GLU 72 Ca 0.00 -0.57 -0.65 0.00 -1.18 0.00 0.00 59.36 56.96 1put h GLU 72 Cb 0.50 0.21 -0.10 0.00 -0.16 0.00 0.00 28.75 29.20 1put h GLU 72 CO 0.00 1.24 2.14 0.00 -1.18 0.00 0.00 179.01 181.21 1put s VAL 74 N -0.63 2.56 -0.97 0.00 -7.23 -1.26 -4.93 120.40 107.94 1put s VAL 74 Ca 0.59 -0.70 0.08 0.00 -1.81 0.00 0.00 61.98 60.14 1put s VAL 74 Cb 0.23 -2.86 0.07 0.00 0.56 0.00 0.00 36.38 34.38 1put s VAL 74 CO -0.11 0.00 1.25 0.41 -0.31 0.00 0.00 175.10 176.35 1put n THR 75 N -2.39 1.48 -2.58 5.32 -1.04 -1.26 -4.72 114.28 109.08 1put n THR 75 Ca 0.10 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1put n THR 75 Cb 0.60 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 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 -1.51 0.00 -2.61 2.41 0.00 -1.26 -4.88 120.51 112.66 1put n ALA 76 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1put n ALA 76 Cb 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 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 1.42 2.24 0.40 0.00 1.03 -1.26 -4.95 118.70 117.58 1put s GLU 77 Ca 0.00 -0.99 0.08 0.00 0.03 0.00 0.00 54.97 54.08 1put s GLU 77 Cb 0.00 -2.36 -0.02 0.00 -0.80 0.00 0.00 34.13 30.95 1put s GLU 77 CO 0.00 0.51 0.37 -1.17 -1.33 0.00 0.00 175.26 173.64 1put s LEU 78 N -2.30 3.44 0.26 1.83 0.20 -1.26 -5.04 118.68 115.80 1put s LEU 78 Ca 0.23 -0.69 -0.14 0.00 0.69 0.00 0.00 54.13 54.22 1put s LEU 78 Cb -0.11 -2.10 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 1put s LEU 78 CO 0.15 -0.60 0.53 -1.59 -0.29 0.00 0.00 176.35 174.55 1put s LYS 79 N -4.11 1.63 0.23 1.98 -2.85 -1.26 -4.98 119.74 110.38 1put s LYS 79 Ca 0.47 -1.24 0.14 0.00 -1.00 0.00 0.00 55.97 54.33 1put s LYS 79 Cb -0.04 0.50 0.75 0.00 -2.06 0.00 0.00 37.83 36.98 1put s LYS 79 CO 0.28 -0.70 1.39 -2.30 0.10 0.00 0.00 175.35 174.12 1put n PRO 80 N -0.41 0.09 -0.01 1.78 -0.01 -1.26 -0.97 135.00 134.21 1put n PRO 80 Ca -0.02 0.57 0.01 0.00 -0.01 0.00 0.00 63.50 64.05 1put n PRO 80 Cb 0.61 -1.87 -0.12 0.00 -0.01 0.00 0.00 33.50 32.11 1put n PRO 80 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1put n ASN 81 N -1.99 0.41 -4.88 2.55 5.03 -1.26 -4.94 115.26 110.18 1put n ASN 81 Ca -0.01 0.18 -0.30 0.00 0.87 0.00 0.00 54.58 55.32 1put n ASN 81 Cb 0.09 0.89 -0.02 0.00 -1.02 0.00 0.00 39.78 39.72 1put n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1put s SER 82 N -5.34 6.47 0.00 6.41 0.01 -0.14 -1.63 113.70 119.47 1put s SER 82 Ca -0.06 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1put s SER 82 Cb 0.09 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1put s SER 82 CO 0.84 -0.46 0.00 -1.14 0.41 0.00 0.00 173.24 172.89 1put n ARG 83 N -1.55 0.00 -3.46 12.44 0.63 -1.13 -4.69 116.66 118.90 1put n ARG 83 Ca 0.02 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.52 1put n ARG 83 Cb 0.54 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.39 1put n ARG 83 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1put s LEU 84 N 0.00 6.06 0.60 6.15 2.34 -1.26 -3.95 118.68 128.62 1put s LEU 84 Ca 0.00 -2.30 0.28 0.00 0.06 0.00 0.00 54.13 52.17 1put s LEU 84 Cb 0.00 -2.09 1.08 0.00 -0.56 0.00 0.00 46.19 44.62 1put s LEU 84 CO 0.00 -0.63 1.44 0.00 -1.06 0.00 0.00 176.35 176.10 1put n GLN 87 N -4.16 1.81 -2.38 0.00 -0.06 0.19 -4.67 117.38 108.11 1put n GLN 87 Ca -0.10 -1.25 -0.32 0.00 -2.00 0.00 0.00 57.00 53.32 1put n GLN 87 Cb 0.70 -1.30 -0.03 0.00 -4.06 0.00 0.00 30.24 25.55 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 -1.57 4.54 0.25 1.69 -1.09 -0.72 -4.94 121.20 119.36 1put s ILE 88 Ca 0.26 1.20 0.05 0.00 -2.23 0.00 0.00 60.65 59.93 1put s ILE 88 Cb 0.13 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1put s ILE 88 CO 0.18 -0.71 -0.02 -0.63 -1.23 0.00 0.00 174.94 172.54 1put s ILE 89 N -2.65 1.27 -0.37 2.92 -1.09 -1.26 -3.55 121.20 116.47 1put s ILE 89 Ca 0.59 -2.06 0.02 0.00 -2.23 0.00 0.00 60.65 56.96 1put s ILE 89 Cb -0.10 -2.40 0.11 0.00 -1.58 0.00 0.00 42.46 38.49 1put s ILE 89 CO 0.32 -0.30 0.14 -0.32 -1.23 0.00 0.00 174.94 173.55 1put s MET 90 N -3.81 1.17 0.52 2.79 -2.45 0.63 -4.67 119.30 113.48 1put s MET 90 Ca 0.29 -1.67 -0.12 0.00 -1.25 0.00 0.00 55.69 52.95 1put s MET 90 Cb 0.05 -2.50 -0.06 0.00 1.25 0.00 0.00 34.83 33.57 1put s MET 90 CO 0.10 -1.03 0.92 0.95 1.05 0.00 0.00 175.02 177.01 1put s THR 91 N 0.92 4.71 -0.43 10.11 -4.23 -1.26 -1.68 115.64 123.77 1put s THR 91 Ca 0.13 0.82 0.15 0.00 -1.18 0.00 0.00 61.69 61.60 1put s THR 91 Cb -0.20 -3.79 0.15 0.00 1.34 0.00 0.00 72.50 69.99 1put s THR 91 CO -0.12 -0.83 1.45 -2.65 -0.54 0.00 0.00 174.62 171.94 1put n PRO 92 N -2.00 0.10 0.07 3.99 -0.02 -1.26 -1.09 135.00 134.79 1put n PRO 92 Ca 0.04 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1put n PRO 92 Cb 0.54 -1.83 -0.13 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.10 -6.13 -0.52 4.39 -2.00 -3.44 114.58 106.97 1put h GLU 93 Ca 0.00 -0.17 -0.56 0.00 0.34 0.00 0.00 59.36 58.97 1put h GLU 93 Cb 0.02 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 1put h GLU 93 CO 0.00 1.07 0.32 -0.51 -1.16 0.00 0.00 179.01 178.72 1put s LEU 94 N -6.85 4.28 -0.05 1.33 1.02 -0.25 -5.04 118.68 113.12 1put s LEU 94 Ca -0.01 1.35 -0.00 0.00 0.02 0.00 0.00 54.13 55.49 1put s LEU 94 Cb 0.09 -3.32 0.03 0.00 0.02 0.00 0.00 46.19 43.01 1put s LEU 94 CO 0.84 -0.28 -0.01 1.51 0.02 0.00 0.00 176.35 178.43 1put s ASP 95 N 1.00 1.08 -0.54 2.29 -4.77 -1.26 -4.34 116.67 110.13 1put s ASP 95 Ca 0.43 -0.08 -0.00 0.00 -3.30 0.00 0.00 52.55 49.60 1put s ASP 95 Cb -0.18 -0.38 -0.00 0.00 -1.09 0.00 0.00 42.92 41.26 1put s ASP 95 CO 0.19 -0.13 0.46 0.61 0.70 0.00 0.00 175.17 177.00 1put n GLY 96 N 4.55 0.07 3.82 2.12 0.00 -0.53 -4.74 105.19 110.47 1put n GLY 96 Ca -0.17 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1put n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1put s ILE 97 N -3.17 3.99 -0.29 -0.61 -5.25 -0.98 -4.87 121.20 110.03 1put s ILE 97 Ca 0.01 0.69 0.01 0.00 -0.99 0.00 0.00 60.65 60.38 1put s ILE 97 Cb -0.00 -3.39 0.09 0.00 2.95 0.00 0.00 42.46 42.10 1put s ILE 97 CO 0.33 -0.80 0.03 -0.69 -1.79 0.00 0.00 174.94 172.03 1put s VAL 98 N -2.94 1.57 0.27 8.37 1.01 -1.26 -1.99 120.40 125.41 1put s VAL 98 Ca 0.59 -1.65 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1put s VAL 98 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1put s VAL 98 CO 0.52 -0.45 0.47 0.68 0.00 0.00 0.00 175.10 176.32 1put s VAL 99 N 1.30 5.14 0.40 2.92 -7.23 -0.11 -0.28 120.40 122.54 1put s VAL 99 Ca 0.05 -0.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1put s VAL 99 Cb -0.18 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 32.95 1put s VAL 99 CO -0.13 -0.33 0.16 -1.81 -0.31 0.00 0.00 175.10 172.68 1put s ASP 100 N -3.49 2.58 0.04 4.85 1.01 0.50 0.56 116.67 122.73 1put s ASP 100 Ca 0.40 -1.70 0.04 0.00 0.71 0.00 0.00 52.55 52.00 1put s ASP 100 Cb -0.10 0.53 -0.04 0.00 1.01 0.00 0.00 42.92 44.32 1put s ASP 100 CO 0.31 -0.96 -0.05 -0.69 0.21 0.00 0.00 175.17 173.99 1put s VAL 101 N -3.26 3.74 0.42 -1.27 1.01 -0.82 -2.01 120.40 118.20 1put s VAL 101 Ca 0.27 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1put s VAL 101 Cb 0.02 -2.69 0.09 0.00 0.00 0.00 0.00 36.38 33.80 1put s VAL 101 CO 0.17 0.27 0.21 -2.65 0.00 0.00 0.00 175.10 173.10 1put n PRO 102 N 1.12 -1.51 -0.03 2.72 -0.02 -0.64 -4.25 135.00 132.39 1put n PRO 102 Ca -0.14 -0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.03 1put n PRO 102 Cb 0.52 -0.57 -0.14 0.00 -0.02 0.00 0.00 33.50 33.28 1put n PRO 102 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1put n ASP 103 N -2.48 0.67 -1.26 2.55 -0.08 -1.26 -4.36 116.55 110.34 1put n ASP 103 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1put n ASP 103 Cb 0.15 1.61 0.00 0.00 2.34 0.00 0.00 41.12 45.22 1put n ASP 103 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1put n ARG 104 N -2.29 1.01 0.00 -0.67 0.00 -1.26 -5.05 116.66 108.39 1put n ARG 104 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1put n ARG 104 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.11 1put n ARG 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1put n GLN 105 N 0.00 0.00 0.00 2.89 6.02 -1.26 -4.98 117.38 120.05 1put n GLN 105 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1put n GLN 105 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96