#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 1.05 0.15 4.33 2.20 -1.26 -4.74 119.74 121.46 1put s LYS 2 Ca 0.00 -1.51 -0.17 0.00 -0.36 0.00 0.00 55.97 53.94 1put s LYS 2 Cb 0.00 0.01 0.03 0.00 -1.51 0.00 0.00 37.83 36.36 1put s LYS 2 CO 0.00 -0.22 0.44 0.08 -0.36 0.00 0.00 175.35 175.29 1put s VAL 3 N -3.88 0.05 -0.08 4.02 1.01 -0.28 -1.26 120.40 119.98 1put s VAL 3 Ca 0.26 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1put s VAL 3 Cb 0.07 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.21 1put s VAL 3 CO 0.04 -0.24 0.67 -0.69 0.00 0.00 0.00 175.10 174.88 1put s VAL 4 N -3.83 0.00 0.15 2.92 1.01 -0.47 -1.20 120.40 118.99 1put s VAL 4 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.10 1put s VAL 4 Cb 0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1put s VAL 4 CO -0.09 -0.01 -0.19 -0.31 0.00 0.00 0.00 175.10 174.50 1put s TYR 5 N -0.99 1.85 0.00 5.22 1.51 -0.58 -1.21 117.35 123.15 1put s TYR 5 Ca -0.10 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1put s TYR 5 Cb -0.01 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 1put s TYR 5 CO 0.09 0.32 -0.05 0.08 -1.11 0.00 0.00 175.55 174.88 1put s VAL 6 N -1.84 0.35 0.77 0.71 1.01 0.16 -1.96 120.40 119.60 1put s VAL 6 Ca 0.14 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1put s VAL 6 Cb -0.07 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.06 1put s VAL 6 CO 0.06 0.03 1.13 -0.94 0.00 0.00 0.00 175.10 175.37 1put s SER 7 N -0.30 4.67 0.00 3.32 1.04 -0.70 0.22 113.70 121.94 1put s SER 7 Ca -0.00 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1put s SER 7 Cb -0.03 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.81 1put s SER 7 CO -0.00 -1.77 0.02 0.00 0.98 0.00 0.00 173.24 172.46 1put n HIS 8 N -3.18 0.00 -3.47 5.02 1.44 -1.24 -3.82 115.22 109.97 1put n HIS 8 Ca 0.08 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.45 1put n HIS 8 Cb 0.61 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.66 1put n HIS 8 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1put n ASP 9 N -0.04 4.42 0.00 4.39 5.68 -1.26 -4.77 116.55 124.97 1put n ASP 9 Ca 0.00 -3.30 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 1put n ASP 9 Cb 0.00 -0.95 0.00 0.00 -1.14 0.00 0.00 41.12 39.03 1put n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1put n GLY 10 N 1.62 1.72 2.15 6.12 0.00 -1.25 -5.18 105.19 110.36 1put n GLY 10 Ca 0.25 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.68 2.61 -1.04 -1.26 -4.93 114.28 105.98 1put n THR 11 Ca 0.00 -1.52 -0.10 0.00 -2.04 0.00 0.00 64.05 60.39 1put n THR 11 Cb 0.00 0.54 -0.11 0.00 -1.82 0.00 0.00 70.33 68.95 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 -3.00 0.32 0.73 -2.82 1.70 -1.25 -1.72 118.95 112.91 1put s ARG 12 Ca 0.13 0.88 -0.04 0.00 -0.47 0.00 0.00 55.73 56.23 1put s ARG 12 Cb 0.01 0.13 0.12 0.00 -0.57 0.00 0.00 34.95 34.63 1put s ARG 12 CO 0.09 -0.22 1.02 1.03 -1.08 0.00 0.00 175.30 176.14 1put s ARG 13 N 2.06 1.72 0.00 3.89 0.52 -0.83 -4.81 118.95 121.50 1put s ARG 13 Ca -0.05 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.36 1put s ARG 13 Cb -0.11 -2.25 -0.01 0.00 0.52 0.00 0.00 34.95 33.10 1put s ARG 13 CO -0.12 -1.46 -0.07 1.14 0.02 0.00 0.00 175.30 174.81 1put s GLN 14 N -5.22 0.54 0.24 3.54 -2.07 -1.26 -1.53 119.66 113.90 1put s GLN 14 Ca 0.65 -0.30 0.04 0.00 -1.82 0.00 0.00 55.36 53.94 1put s GLN 14 Cb -0.07 -0.50 -0.02 0.00 -1.09 0.00 0.00 33.01 31.34 1put s GLN 14 CO 0.45 0.13 0.16 1.47 -1.32 0.00 0.00 175.29 176.18 1put n LEU 15 N 2.75 0.00 -3.40 2.60 -0.00 -0.34 -4.96 117.00 113.66 1put n LEU 15 Ca -0.14 -2.13 -0.26 0.00 -0.00 0.00 0.00 56.01 53.48 1put n LEU 15 Cb 0.57 0.98 -0.08 0.00 -0.00 0.00 0.00 43.42 44.89 1put n LEU 15 CO 0.25 -0.34 -0.06 0.47 -0.00 0.00 0.00 177.39 177.70 1put n ASP 16 N -1.97 2.47 -4.56 1.45 8.00 -1.26 -1.13 116.55 119.55 1put n ASP 16 Ca 0.02 -3.16 -0.48 0.00 0.71 0.00 0.00 54.79 51.88 1put n ASP 16 Cb 0.41 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.79 1put n ASP 16 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1put n VAL 17 N 1.20 0.34 -0.70 2.53 0.31 -1.26 -4.90 118.33 115.85 1put n VAL 17 Ca 0.26 -0.27 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1put n VAL 17 Cb 0.44 -1.95 0.11 0.00 -0.91 0.00 0.00 33.84 31.54 1put n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1put n ALA 18 N 9.42 -2.28 -2.68 3.52 0.00 -1.26 -4.82 120.51 122.41 1put n ALA 18 Ca 0.33 -1.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.27 1put n ALA 18 Cb 0.30 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 7.04 0.00 0.00 1.01 -1.26 -3.40 116.67 118.46 1put s ASP 19 Ca 0.38 1.27 0.00 0.00 0.71 0.00 0.00 52.55 54.91 1put s ASP 19 Cb -0.03 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1put s ASP 19 CO 0.47 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 176.10 1put n GLY 20 N 3.31 0.86 3.48 0.21 0.00 -0.80 -4.90 105.19 107.35 1put n GLY 20 Ca 0.04 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 2.66 -0.05 1.61 1.01 -1.22 -4.93 120.40 117.48 1put s VAL 21 Ca 0.00 -2.00 -0.17 0.00 0.00 0.00 0.00 61.98 59.81 1put s VAL 21 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1put s VAL 21 CO 0.00 -0.19 0.45 -0.44 0.00 0.00 0.00 175.10 174.92 1put s SER 22 N -2.94 6.76 0.44 3.32 0.01 -1.26 -0.79 113.70 119.24 1put s SER 22 Ca 0.24 0.90 0.27 0.00 1.31 0.00 0.00 55.95 58.68 1put s SER 22 Cb -0.07 -2.27 1.33 0.00 0.21 0.00 0.00 66.02 65.21 1put s SER 22 CO 0.13 0.17 1.70 -0.07 0.41 0.00 0.00 173.24 175.57 1put h LEU 23 N 5.68 0.29 -0.25 2.44 3.38 -1.79 0.77 115.31 125.84 1put h LEU 23 Ca -0.46 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1put h LEU 23 Cb 1.20 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1put h LEU 23 CO 0.69 -0.05 0.02 -0.03 0.09 0.00 0.00 178.44 179.16 1put h MET 24 N 0.19 0.42 -0.17 1.13 4.05 -1.80 -1.00 114.93 117.75 1put h MET 24 Ca 0.71 -0.12 0.05 0.00 -0.28 0.00 0.00 59.70 60.06 1put h MET 24 Cb 2.18 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 32.88 1put h MET 24 CO -0.31 0.57 -0.17 0.37 0.23 0.00 0.00 176.91 177.59 1put h GLN 25 N 0.21 -0.19 0.00 0.39 5.75 0.23 0.24 115.11 121.74 1put h GLN 25 Ca 0.07 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1put h GLN 25 Cb 0.36 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 1put h GLN 25 CO 0.01 -0.13 -0.05 0.00 -2.65 0.00 0.00 178.83 176.01 1put h ALA 26 N 0.88 1.25 0.00 3.38 0.00 -1.27 -1.14 119.26 122.35 1put h ALA 26 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1put h ALA 26 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1put h ALA 26 CO -0.28 0.07 -0.26 0.00 0.00 0.00 0.00 179.25 178.78 1put h ALA 27 N 1.95 1.21 -0.69 0.00 0.00 0.86 -2.02 119.26 120.56 1put h ALA 27 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1put h ALA 27 Cb 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1put h ALA 27 CO 0.01 0.32 0.41 -0.39 0.00 0.00 0.00 179.25 179.59 1put h VAL 28 N 0.00 1.02 0.00 0.00 -1.51 -0.74 0.23 116.25 115.25 1put h VAL 28 Ca -0.00 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.19 1put h VAL 28 Cb 0.60 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1put h VAL 28 CO 0.03 0.14 -0.13 -1.28 -1.23 0.00 0.00 177.57 175.10 1put h SER 29 N 0.77 0.00 -0.08 4.19 0.87 -1.66 -3.26 113.55 114.37 1put h SER 29 Ca 0.30 -0.34 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1put h SER 29 Cb 0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1put h SER 29 CO -0.15 0.74 0.51 0.78 -0.53 0.00 0.00 176.83 178.19 1put h ASN 30 N -1.00 0.00 0.00 6.23 2.35 -1.36 -3.44 115.58 118.37 1put h ASN 30 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1put h ASN 30 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1put h ASN 30 CO -0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.38 1put n GLY 31 N -1.32 0.53 0.10 2.83 0.00 0.59 -4.93 105.19 102.98 1put n GLY 31 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.97 1.44 -0.29 -0.61 5.41 0.05 -3.81 119.36 118.58 1put n ILE 32 Ca 0.00 -0.82 0.17 0.00 1.00 0.00 0.00 62.75 63.11 1put n ILE 32 Cb 0.09 -0.66 0.45 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 0.73 -0.13 1.39 -0.00 -1.52 0.78 116.97 118.22 1put h TYR 33 Ca -0.52 0.02 -0.17 0.00 -0.00 0.00 0.00 58.73 58.06 1put h TYR 33 Cb 2.18 -0.22 -0.01 0.00 -0.00 0.00 0.00 36.73 38.68 1put h TYR 33 CO 0.00 0.18 -0.63 0.22 -0.00 0.00 0.00 178.16 177.93 1put h ASP 34 N 0.53 0.55 -0.06 0.10 3.58 -1.79 -2.60 116.42 116.73 1put h ASP 34 Ca 0.51 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1put h ASP 34 Cb 1.10 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1put h ASP 34 CO -0.25 1.04 0.00 2.30 -2.88 0.00 0.00 179.24 179.45 1put n ILE 35 N -3.91 0.08 -3.42 2.25 -5.35 0.24 -4.72 119.36 104.53 1put n ILE 35 Ca -0.04 -0.12 0.01 0.00 -0.27 0.00 0.00 62.75 62.34 1put n ILE 35 Cb 0.65 -0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 38.45 1put n ILE 35 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1put s VAL 36 N -1.92 -0.50 0.00 7.28 -7.23 0.70 -5.06 120.40 113.67 1put s VAL 36 Ca 0.26 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1put s VAL 36 Cb 0.13 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.07 1put s VAL 36 CO 0.20 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 1put n GLY 37 N 4.93 2.90 1.99 2.32 0.00 -1.24 -4.29 105.19 111.80 1put n GLY 37 Ca -0.10 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 -3.94 -0.19 1.61 8.00 -1.26 -4.86 116.55 115.91 1put n ASP 38 Ca 0.00 0.90 0.02 0.00 0.71 0.00 0.00 54.79 56.43 1put n ASP 38 Cb 0.00 3.70 0.09 0.00 -0.02 0.00 0.00 41.12 44.89 1put n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1put n GLY 40 N 0.69 0.21 0.00 0.00 0.00 -1.26 -4.33 105.19 100.50 1put n GLY 40 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 -3.09 2.66 -0.02 0.00 -1.26 -4.62 105.19 98.86 1put n GLY 41 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1put n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1put n SER 42 N 0.00 1.71 0.00 1.61 3.41 -1.26 -4.58 113.62 114.50 1put n SER 42 Ca 0.00 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1put n SER 42 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1put n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1put n ALA 43 N -0.16 0.00 -2.73 7.33 0.00 -1.26 -4.88 120.51 118.81 1put n ALA 43 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1put n ALA 43 Cb 0.81 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.35 1put n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1put n SER 44 N 0.00 -2.33 -2.50 0.00 2.88 -1.26 -4.96 113.62 105.44 1put n SER 44 Ca 0.00 -3.66 -0.04 0.00 -1.33 0.00 0.00 58.87 53.83 1put n SER 44 Cb 0.00 1.92 0.00 0.00 -0.75 0.00 0.00 64.21 65.38 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 -2.82 2.04 0.08 0.00 0.00 -1.24 -3.76 120.51 114.81 1put n ALA 46 Ca -0.03 -0.71 0.08 0.00 0.00 0.00 0.00 53.44 52.78 1put n ALA 46 Cb 0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1put n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1put n THR 47 N 0.02 0.80 -0.93 0.00 5.66 -1.26 -3.48 114.28 115.08 1put n THR 47 Ca -0.00 -0.60 -0.15 0.00 -3.05 0.00 0.00 64.05 60.25 1put n THR 47 Cb 0.65 -0.47 -0.00 0.00 -1.55 0.00 0.00 70.33 68.96 1put n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1put n HIS 49 N 0.83 2.54 -2.61 0.00 -0.00 -1.26 -2.39 115.22 112.33 1put n HIS 49 Ca 0.29 -3.05 -0.34 0.00 -0.00 0.00 0.00 57.72 54.62 1put n HIS 49 Cb 0.59 -2.40 -0.04 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 3.92 -0.42 3.57 -7.23 -0.98 -2.32 120.40 118.70 1put s VAL 50 Ca 0.66 1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 62.01 1put s VAL 50 Cb 0.18 -3.54 0.09 0.00 0.56 0.00 0.00 36.38 33.67 1put s VAL 50 CO -0.07 -0.20 0.26 -0.31 -0.31 0.00 0.00 175.10 174.47 1put s TYR 51 N -1.95 3.40 0.71 2.82 2.02 -0.30 -1.15 117.35 122.89 1put s TYR 51 Ca 0.64 -1.78 -0.04 0.00 -0.37 0.00 0.00 57.07 55.52 1put s TYR 51 Cb -0.16 -3.10 0.10 0.00 -0.40 0.00 0.00 41.96 38.40 1put s TYR 51 CO 0.20 -0.90 0.99 0.08 -1.57 0.00 0.00 175.55 174.34 1put s VAL 52 N 1.35 2.27 0.72 0.71 1.01 -0.99 0.71 120.40 126.18 1put s VAL 52 Ca 0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1put s VAL 52 Cb -0.24 -2.81 0.18 0.00 0.00 0.00 0.00 36.38 33.51 1put s VAL 52 CO 0.00 0.00 0.65 -3.20 0.00 0.00 0.00 175.10 172.55 1put n ASN 53 N -2.86 -1.55 -1.08 3.32 4.05 0.21 -4.66 115.26 112.70 1put n ASN 53 Ca 0.12 -0.91 0.11 0.00 0.45 0.00 0.00 54.58 54.34 1put n ASN 53 Cb 0.60 -0.59 0.19 0.00 1.23 0.00 0.00 39.78 41.21 1put n ASN 53 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1put n GLU 54 N -3.43 2.40 -0.03 1.20 0.28 -1.26 -3.78 120.64 116.03 1put n GLU 54 Ca 0.09 -2.19 -0.00 0.00 -0.16 0.00 0.00 57.16 54.89 1put n GLU 54 Cb 0.35 -1.48 -0.08 0.00 1.43 0.00 0.00 31.44 31.66 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 1.39 2.04 0.29 -1.84 0.00 -1.26 -4.58 120.51 116.55 1put n ALA 55 Ca 0.18 -0.47 0.11 0.00 0.00 0.00 0.00 53.44 53.26 1put n ALA 55 Cb 0.58 -0.14 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.14 0.02 -0.17 0.00 3.01 -1.26 -4.33 117.46 112.59 1put n PHE 56 Ca -0.10 0.01 -0.09 0.00 1.01 0.00 0.00 57.45 58.28 1put n PHE 56 Cb 0.58 -0.36 0.01 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.22 -0.07 4.37 1.35 -1.81 -2.98 112.91 114.99 1put h THR 57 Ca 0.00 -0.74 0.03 0.00 -0.55 0.00 0.00 66.41 65.15 1put h THR 57 Cb 0.85 0.79 -0.04 0.00 -1.73 0.00 0.00 68.15 68.03 1put h THR 57 CO 0.00 0.27 -0.13 -0.78 -0.25 0.00 0.00 175.52 174.63 1put h ASP 58 N 0.65 -0.41 -0.92 5.36 1.82 -1.82 -1.63 116.42 119.48 1put h ASP 58 Ca 0.16 0.07 0.20 0.00 -0.39 0.00 0.00 57.03 57.07 1put h ASP 58 Cb 0.26 0.19 -0.11 0.00 0.68 0.00 0.00 39.33 40.34 1put h ASP 58 CO -0.01 -0.18 0.47 0.11 -1.61 0.00 0.00 179.24 178.02 1put h LYS 59 N -0.19 0.54 -6.71 0.28 6.56 -1.75 -3.41 116.57 111.90 1put h LYS 59 Ca 0.07 -0.03 -0.58 0.00 -1.06 0.00 0.00 60.65 59.05 1put h LYS 59 Cb 0.29 -0.12 0.13 0.00 -0.57 0.00 0.00 32.23 31.95 1put h LYS 59 CO -0.19 0.36 0.30 0.28 -2.06 0.00 0.00 179.45 178.14 1put n VAL 60 N -4.92 2.44 -0.49 0.50 0.31 -0.61 -4.93 118.33 110.63 1put n VAL 60 Ca 0.21 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.76 1put n VAL 60 Cb 0.59 -1.32 0.23 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.16 -2.76 -2.91 5.55 -0.02 -1.26 -4.93 135.00 128.83 1put n PRO 61 Ca 0.08 -0.80 -0.34 0.00 -2.02 0.00 0.00 63.50 60.42 1put n PRO 61 Cb 0.39 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 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 -4.94 5.15 -1.50 3.55 0.00 -1.26 -5.04 120.51 116.46 1put n ALA 62 Ca 0.05 -4.70 -0.59 0.00 0.00 0.00 0.00 53.44 48.20 1put n ALA 62 Cb 0.55 -1.45 -0.08 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 0.14 -2.72 -0.73 0.00 0.00 -1.26 -4.87 120.51 111.08 1put n ALA 63 Ca 0.36 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 54.28 1put n ALA 63 Cb 0.34 -1.72 0.08 0.00 0.00 0.00 0.00 19.45 18.16 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 2.24 -2.19 0.00 0.00 2.04 -1.26 -4.79 115.26 111.31 1put n ASN 64 Ca 0.23 -0.25 0.12 0.00 -0.44 0.00 0.00 54.58 54.24 1put n ASN 64 Cb 0.03 -0.39 0.52 0.00 -2.53 0.00 0.00 39.78 37.41 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 -1.59 0.01 0.07 -3.83 4.07 -1.26 -3.56 120.64 114.55 1put n GLU 65 Ca 0.04 0.09 -0.12 0.00 -0.06 0.00 0.00 57.16 57.10 1put n GLU 65 Cb 0.17 -1.51 -0.06 0.00 -0.06 0.00 0.00 31.44 29.97 1put n GLU 65 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1put h ARG 66 N 0.00 -0.16 0.00 5.31 2.43 -2.00 -0.10 114.38 119.86 1put h ARG 66 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1put h ARG 66 Cb 0.43 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1put h ARG 66 CO 0.00 -0.10 0.00 0.39 -1.51 0.00 0.00 179.97 178.75 1put n GLU 67 N -5.19 0.19 0.07 0.20 1.02 -1.23 -2.78 120.64 112.92 1put n GLU 67 Ca -0.07 0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 57.04 1put n GLU 67 Cb 0.12 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 1put n GLU 67 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1put h ILE 68 N 0.00 1.38 -0.20 -3.67 2.04 -1.14 -2.60 117.51 113.32 1put h ILE 68 Ca 0.00 -2.49 0.06 0.00 1.00 0.00 0.00 64.86 63.43 1put h ILE 68 Cb 0.22 2.51 -0.07 0.00 -0.74 0.00 0.00 36.82 38.75 1put h ILE 68 CO 0.00 0.75 -0.28 1.23 0.00 0.00 0.00 178.15 179.84 1put h GLY 69 N 1.01 -0.29 2.00 5.37 0.00 -1.32 0.34 103.07 110.18 1put h GLY 69 Ca -0.11 0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 1put h GLY 69 CO 0.19 -0.21 -0.30 0.00 0.00 0.00 0.00 176.54 176.22 1put h MET 70 N -0.32 0.00 -0.10 4.80 -0.00 -1.74 -1.28 114.93 116.29 1put h MET 70 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 1put h MET 70 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.10 1put h MET 70 CO -0.38 0.30 0.00 -0.11 -0.00 0.00 0.00 176.91 176.72 1put n LEU 71 N -3.76 0.64 -0.00 -0.10 0.00 0.59 -3.11 117.00 111.26 1put n LEU 71 Ca -0.01 -0.30 0.10 0.00 0.00 0.00 0.00 56.01 55.79 1put n LEU 71 Cb 0.39 -0.07 -0.12 0.00 0.00 0.00 0.00 43.42 43.63 1put n LEU 71 CO 0.36 0.15 -0.09 1.21 0.00 0.00 0.00 177.39 179.02 1put n GLU 72 N -0.22 0.21 0.07 1.96 4.07 0.88 -4.15 120.64 123.45 1put n GLU 72 Ca 0.08 -0.01 0.13 0.00 -0.06 0.00 0.00 57.16 57.29 1put n GLU 72 Cb 0.12 -1.48 0.40 0.00 -0.06 0.00 0.00 31.44 30.42 1put n GLU 72 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1put n VAL 74 N -2.03 1.52 -0.11 0.00 0.24 -1.23 -4.65 118.33 112.09 1put n VAL 74 Ca 0.05 -0.38 0.26 0.00 -2.04 0.00 0.00 64.34 62.23 1put n VAL 74 Cb 0.41 -0.00 0.55 0.00 -1.47 0.00 0.00 33.84 33.32 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 1.48 0.12 -0.89 3.34 2.02 -1.91 -3.40 112.91 113.67 1put h THR 75 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1put h THR 75 Cb 1.44 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1put h THR 75 CO 0.59 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.48 1put n ALA 76 N -2.27 0.00 -2.54 6.16 0.00 -1.26 -4.96 120.51 115.64 1put n ALA 76 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1put n ALA 76 Cb 1.21 0.00 -0.10 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 2.59 1.96 -0.17 0.00 4.04 -1.26 -4.86 118.70 121.00 1put s GLU 77 Ca 0.00 -1.11 -0.07 0.00 0.04 0.00 0.00 54.97 53.83 1put s GLU 77 Cb 0.00 -2.21 -0.04 0.00 0.02 0.00 0.00 34.13 31.90 1put s GLU 77 CO 0.00 0.49 0.05 -1.17 -1.84 0.00 0.00 175.26 172.80 1put s LEU 78 N -2.21 3.78 0.35 1.83 0.20 -1.26 -5.04 118.68 116.33 1put s LEU 78 Ca 0.20 0.08 0.07 0.00 0.69 0.00 0.00 54.13 55.17 1put s LEU 78 Cb -0.11 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.68 1put s LEU 78 CO 0.12 0.19 0.35 -0.54 -0.29 0.00 0.00 176.35 176.19 1put s LYS 79 N 0.28 2.78 0.58 1.98 -0.14 -1.26 -4.96 119.74 119.00 1put s LYS 79 Ca 0.03 -1.27 0.28 0.00 -1.36 0.00 0.00 55.97 53.65 1put s LYS 79 Cb -0.12 -2.54 1.52 0.00 -1.68 0.00 0.00 37.83 35.00 1put s LYS 79 CO 0.00 0.03 1.96 -1.35 -0.76 0.00 0.00 175.35 175.23 1put h PRO 80 N 1.11 0.00 -0.02 -1.68 0.11 -2.01 0.13 132.00 129.64 1put h PRO 80 Ca -0.44 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.46 1put h PRO 80 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1put h PRO 80 CO 0.56 0.00 -0.88 -0.97 -0.21 0.00 0.00 178.00 176.50 1put h ASN 81 N 0.00 0.47 -3.54 -2.05 -1.24 -1.89 -3.45 115.58 103.87 1put h ASN 81 Ca 0.19 -0.36 -0.47 0.00 0.71 0.00 0.00 56.30 56.37 1put h ASN 81 Cb 0.98 -0.14 0.06 0.00 0.73 0.00 0.00 38.32 39.94 1put h ASN 81 CO -0.00 1.15 0.15 -0.94 -1.29 0.00 0.00 177.43 176.50 1put s SER 82 N -7.03 5.52 0.00 1.15 1.04 0.44 -2.34 113.70 112.48 1put s SER 82 Ca -0.05 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1put s SER 82 Cb 0.09 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.62 1put s SER 82 CO 0.85 -1.09 0.00 0.54 0.98 0.00 0.00 173.24 174.52 1put n ARG 83 N -2.57 0.00 -3.35 4.02 5.12 -0.30 -4.63 116.66 114.95 1put n ARG 83 Ca 0.05 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.53 1put n ARG 83 Cb 0.58 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.79 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 5.12 0.61 0.55 1.43 -1.24 -2.31 118.68 122.83 1put s LEU 84 Ca 0.00 -0.92 0.27 0.00 -1.03 0.00 0.00 54.13 52.45 1put s LEU 84 Cb 0.00 -2.29 1.05 0.00 0.03 0.00 0.00 46.19 44.98 1put s LEU 84 CO 0.00 -0.60 1.44 0.00 0.23 0.00 0.00 176.35 177.41 1put n GLN 87 N -3.63 1.92 -4.09 0.00 0.00 0.23 -4.80 117.38 107.01 1put n GLN 87 Ca -0.20 -1.36 -0.31 0.00 -0.00 0.00 0.00 57.00 55.13 1put n GLN 87 Cb 1.08 -1.62 -0.07 0.00 0.00 0.00 0.00 30.24 29.63 1put n GLN 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1put s ILE 88 N -1.57 4.34 0.21 1.69 -1.09 -1.07 -4.76 121.20 118.95 1put s ILE 88 Ca 0.25 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 57.92 1put s ILE 88 Cb 0.21 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.97 1put s ILE 88 CO 0.06 0.15 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.19 1put s ILE 89 N -1.33 1.49 -0.36 2.92 -1.09 -1.26 -3.32 121.20 118.25 1put s ILE 89 Ca 0.27 -2.14 0.01 0.00 -2.23 0.00 0.00 60.65 56.56 1put s ILE 89 Cb -0.12 -2.11 0.11 0.00 -1.58 0.00 0.00 42.46 38.76 1put s ILE 89 CO 0.20 -0.54 0.15 -0.32 -1.23 0.00 0.00 174.94 173.19 1put s MET 90 N -3.71 0.99 0.67 2.79 -2.45 0.03 -4.76 119.30 112.85 1put s MET 90 Ca 0.23 -1.50 -0.09 0.00 -1.25 0.00 0.00 55.69 53.08 1put s MET 90 Cb 0.02 -2.20 0.02 0.00 1.25 0.00 0.00 34.83 33.91 1put s MET 90 CO 0.06 -1.06 1.03 0.95 1.05 0.00 0.00 175.02 177.06 1put s THR 91 N 1.07 3.47 0.52 10.11 -4.23 -1.26 -1.91 115.64 123.40 1put s THR 91 Ca 0.13 0.27 0.20 0.00 -1.18 0.00 0.00 61.69 61.11 1put s THR 91 Cb -0.20 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.47 1put s THR 91 CO -0.13 -0.53 2.15 -0.65 -0.54 0.00 0.00 174.62 174.91 1put h PRO 92 N -0.50 0.00 -0.45 3.99 0.11 -1.90 -1.74 132.00 131.51 1put h PRO 92 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1put h PRO 92 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1put h PRO 92 CO 0.63 0.04 -0.11 0.93 -0.21 0.00 0.00 178.00 179.27 1put h GLU 93 N 0.00 0.83 -6.89 1.05 5.08 -2.02 -3.43 114.58 109.20 1put h GLU 93 Ca -0.00 -0.28 -0.48 0.00 -1.00 0.00 0.00 59.36 57.60 1put h GLU 93 Cb 0.07 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1put h GLU 93 CO 0.00 0.90 0.39 -0.51 -1.00 0.00 0.00 179.01 178.80 1put s LEU 94 N -9.05 4.33 -0.18 1.33 1.02 -0.66 -5.05 118.68 110.42 1put s LEU 94 Ca -0.10 1.99 -0.08 0.00 0.02 0.00 0.00 54.13 55.96 1put s LEU 94 Cb 0.14 -3.98 0.07 0.00 0.02 0.00 0.00 46.19 42.44 1put s LEU 94 CO 0.83 -0.21 0.39 1.51 0.02 0.00 0.00 176.35 178.89 1put s ASP 95 N -1.45 -0.29 -0.21 2.29 1.47 -1.26 -4.41 116.67 112.81 1put s ASP 95 Ca 0.51 0.89 -0.00 0.00 1.18 0.00 0.00 52.55 55.13 1put s ASP 95 Cb -0.22 1.01 0.00 0.00 -0.34 0.00 0.00 42.92 43.37 1put s ASP 95 CO 0.28 -0.22 0.18 0.61 0.68 0.00 0.00 175.17 176.71 1put n GLY 96 N 4.90 0.34 3.78 2.12 0.00 -0.39 -4.70 105.19 111.24 1put n GLY 96 Ca -0.15 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.06 3.92 -0.24 -0.61 -5.25 -1.03 -4.86 121.20 110.07 1put s ILE 97 Ca 0.01 1.49 0.02 0.00 -0.99 0.00 0.00 60.65 61.18 1put s ILE 97 Cb -0.00 -3.78 0.04 0.00 2.95 0.00 0.00 42.46 41.67 1put s ILE 97 CO 0.13 0.02 -0.12 -0.69 -1.79 0.00 0.00 174.94 172.49 1put s VAL 98 N -1.68 2.26 -0.00 8.37 1.01 -1.26 -1.37 120.40 127.73 1put s VAL 98 Ca 0.56 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1put s VAL 98 Cb -0.20 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1put s VAL 98 CO 0.25 0.14 0.03 0.68 0.00 0.00 0.00 175.10 176.20 1put s VAL 99 N 1.18 4.33 0.44 2.92 -7.23 -0.35 -0.62 120.40 121.08 1put s VAL 99 Ca -0.04 -0.53 0.04 0.00 -1.81 0.00 0.00 61.98 59.64 1put s VAL 99 Cb -0.18 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 1put s VAL 99 CO -0.07 0.37 0.03 -1.81 -0.31 0.00 0.00 175.10 173.31 1put s ASP 100 N -1.59 3.64 0.03 4.85 1.01 0.22 0.35 116.67 125.18 1put s ASP 100 Ca 0.20 -1.51 0.00 0.00 0.71 0.00 0.00 52.55 51.95 1put s ASP 100 Cb -0.12 0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 1put s ASP 100 CO 0.11 -0.68 0.11 -0.69 0.21 0.00 0.00 175.17 174.23 1put s VAL 101 N -2.91 4.84 1.01 -1.27 1.01 0.59 -1.14 120.40 122.52 1put s VAL 101 Ca 0.23 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1put s VAL 101 Cb 0.06 -3.27 0.07 0.00 0.00 0.00 0.00 36.38 33.23 1put s VAL 101 CO 0.12 0.26 0.30 -2.65 0.00 0.00 0.00 175.10 173.12 1put n PRO 102 N 0.84 -0.79 0.21 2.72 -0.02 -0.98 -3.60 135.00 133.38 1put n PRO 102 Ca -0.10 -0.20 0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1put n PRO 102 Cb 0.52 -1.82 0.78 0.00 -0.02 0.00 0.00 33.50 32.96 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 -1.77 0.00 -1.16 2.55 3.32 -1.97 -3.36 116.42 114.03 1put h ASP 103 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1put h ASP 103 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1put h ASP 103 CO 0.36 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.42 1put n ARG 104 N -4.10 1.54 -0.73 3.56 3.00 -1.26 -4.90 116.66 113.78 1put n ARG 104 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.84 1put n ARG 104 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.70 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 -0.06 5.56 10.64 -1.26 -4.93 117.38 127.33 1put n GLN 105 Ca 0.00 -0.73 0.00 0.00 -1.83 0.00 0.00 57.00 54.44 1put n GLN 105 Cb 0.00 -0.03 0.00 0.00 -0.86 0.00 0.00 30.24 29.35 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14