#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 1.33 -0.20 4.33 2.20 -1.26 -4.74 119.74 121.40 1put s LYS 2 Ca 0.00 -1.32 -0.11 0.00 -0.36 0.00 0.00 55.97 54.18 1put s LYS 2 Cb 0.00 0.39 0.06 0.00 -1.51 0.00 0.00 37.83 36.77 1put s LYS 2 CO 0.00 -0.51 0.48 0.08 -0.36 0.00 0.00 175.35 175.04 1put s VAL 3 N -4.04 -0.02 -0.03 4.02 1.01 -0.24 -2.53 120.40 118.57 1put s VAL 3 Ca 0.25 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1put s VAL 3 Cb 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1put s VAL 3 CO 0.07 0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.39 1put s VAL 4 N 1.47 1.00 0.16 2.92 1.01 -0.88 -0.33 120.40 125.74 1put s VAL 4 Ca -0.10 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1put s VAL 4 Cb -0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1put s VAL 4 CO -0.15 0.30 0.18 -0.31 0.00 0.00 0.00 175.10 175.13 1put s TYR 5 N 0.17 3.25 -0.03 5.22 1.51 -0.48 -1.52 117.35 125.47 1put s TYR 5 Ca -0.04 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1put s TYR 5 Cb -0.10 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1put s TYR 5 CO 0.01 0.52 -0.04 0.08 -1.11 0.00 0.00 175.55 175.01 1put s VAL 6 N -1.76 0.46 0.43 0.71 1.01 0.23 -0.76 120.40 120.71 1put s VAL 6 Ca 0.32 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1put s VAL 6 Cb -0.10 -0.46 0.10 0.00 0.00 0.00 0.00 36.38 35.91 1put s VAL 6 CO 0.25 0.18 0.58 -1.20 0.00 0.00 0.00 175.10 174.91 1put n SER 7 N 3.70 0.04 -4.32 3.32 7.64 -0.56 0.25 113.62 123.70 1put n SER 7 Ca -0.22 -1.21 -0.33 0.00 1.01 0.00 0.00 58.87 58.12 1put n SER 7 Cb 0.53 -0.44 0.11 0.00 -1.01 0.00 0.00 64.21 63.40 1put n SER 7 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1put n HIS 8 N -2.80 -2.07 -0.74 1.43 8.25 -1.25 -3.61 115.22 114.43 1put n HIS 8 Ca 0.07 0.19 -0.12 0.00 -0.26 0.00 0.00 57.72 57.60 1put n HIS 8 Cb 0.25 -1.69 -0.11 0.00 1.12 0.00 0.00 29.99 29.56 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 -0.45 -0.66 0.00 0.41 -0.08 -1.26 -4.19 116.55 110.31 1put n ASP 9 Ca 0.04 -0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1put n ASP 9 Cb 0.56 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.74 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 2.75 -1.12 3.13 0.27 0.00 -1.26 -5.17 105.19 103.79 1put n GLY 10 Ca 0.33 0.62 -0.26 0.00 0.00 0.00 0.00 46.02 46.71 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 -3.64 2.61 -1.04 -1.26 -5.00 114.28 105.95 1put n THR 11 Ca 0.00 -2.13 -0.15 0.00 -2.04 0.00 0.00 64.05 59.73 1put n THR 11 Cb 0.00 0.59 -0.08 0.00 -1.82 0.00 0.00 70.33 69.02 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 -3.52 0.78 0.53 -2.82 1.70 -1.26 -1.49 118.95 112.87 1put s ARG 12 Ca 0.09 0.67 0.09 0.00 -0.47 0.00 0.00 55.73 56.11 1put s ARG 12 Cb 0.00 0.38 0.06 0.00 -0.57 0.00 0.00 34.95 34.82 1put s ARG 12 CO 0.06 -0.14 0.72 -0.98 -1.08 0.00 0.00 175.30 173.88 1put s ARG 13 N -0.08 2.45 0.15 3.89 3.03 0.06 -4.89 118.95 123.55 1put s ARG 13 Ca -0.03 -1.54 0.04 0.00 2.03 0.00 0.00 55.73 56.22 1put s ARG 13 Cb -0.04 -2.66 -0.04 0.00 -1.03 0.00 0.00 34.95 31.18 1put s ARG 13 CO 0.03 -0.69 -0.08 1.14 -1.13 0.00 0.00 175.30 174.57 1put s GLN 14 N -4.57 1.05 -0.02 3.89 0.00 -1.26 -1.38 119.66 117.38 1put s GLN 14 Ca 0.59 -1.46 -0.17 0.00 -0.00 0.00 0.00 55.36 54.32 1put s GLN 14 Cb -0.07 -0.53 0.06 0.00 0.00 0.00 0.00 33.01 32.47 1put s GLN 14 CO 0.37 0.03 0.78 1.47 0.00 0.00 0.00 175.29 177.94 1put n LEU 15 N -0.20 0.00 -3.89 2.60 -0.00 0.56 -4.95 117.00 111.12 1put n LEU 15 Ca -0.10 -0.23 -0.28 0.00 -0.00 0.00 0.00 56.01 55.40 1put n LEU 15 Cb 0.61 1.11 -0.16 0.00 -0.00 0.00 0.00 43.42 44.98 1put n LEU 15 CO 0.32 -0.08 -0.42 -0.62 -0.00 0.00 0.00 177.39 176.60 1put s ASP 16 N -2.73 3.02 0.10 1.45 -1.08 -1.26 -1.08 116.67 115.08 1put s ASP 16 Ca 0.18 -0.77 -0.30 0.00 -0.52 0.00 0.00 52.55 51.15 1put s ASP 16 Cb -0.00 -0.93 -0.06 0.00 -1.46 0.00 0.00 42.92 40.47 1put s ASP 16 CO -0.01 -0.20 1.03 -0.69 0.52 0.00 0.00 175.17 175.82 1put s VAL 17 N 1.61 4.36 1.06 1.11 1.01 -1.26 -4.95 120.40 123.34 1put s VAL 17 Ca -0.01 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 63.71 1put s VAL 17 Cb -0.16 -4.20 0.22 0.00 0.00 0.00 0.00 36.38 32.24 1put s VAL 17 CO -0.07 0.25 1.10 0.00 0.00 0.00 0.00 175.10 176.37 1put s ALA 18 N 0.29 0.80 -0.09 5.51 0.00 -1.26 -4.89 121.76 122.11 1put s ALA 18 Ca 0.50 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1put s ALA 18 Cb -0.25 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1put s ALA 18 CO 0.31 -3.07 1.07 -0.51 0.00 0.00 0.00 175.76 173.56 1put s ASP 19 N -3.56 7.18 0.00 0.00 1.01 -1.26 -3.40 116.67 116.64 1put s ASP 19 Ca 0.67 1.63 0.00 0.00 0.71 0.00 0.00 52.55 55.55 1put s ASP 19 Cb -0.17 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1put s ASP 19 CO 0.57 -0.50 0.00 0.61 0.21 0.00 0.00 175.17 176.06 1put n GLY 20 N 3.19 0.97 3.27 0.21 0.00 -1.26 -5.06 105.19 106.50 1put n GLY 20 Ca 0.10 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.66 1.20 -0.15 1.61 1.01 -1.22 -5.02 120.40 115.17 1put s VAL 21 Ca 0.00 -2.07 -0.09 0.00 0.00 0.00 0.00 61.98 59.82 1put s VAL 21 Cb 0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1put s VAL 21 CO 0.00 -0.68 0.16 -0.44 0.00 0.00 0.00 175.10 174.14 1put s SER 22 N -3.20 6.34 0.59 3.32 0.01 -1.26 -1.39 113.70 118.11 1put s SER 22 Ca 0.19 0.40 0.30 0.00 1.31 0.00 0.00 55.95 58.15 1put s SER 22 Cb 0.03 -2.10 1.29 0.00 0.21 0.00 0.00 66.02 65.45 1put s SER 22 CO 0.02 0.29 1.63 -0.07 0.41 0.00 0.00 173.24 175.52 1put h LEU 23 N 5.80 0.00 -0.05 2.44 3.38 -1.77 0.89 115.31 125.99 1put h LEU 23 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 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 0.67 0.00 -0.18 0.24 0.09 0.00 0.00 178.44 179.26 1put h MET 24 N 0.00 0.21 -0.09 1.13 2.86 -1.86 -2.03 114.93 115.16 1put h MET 24 Ca 0.41 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.93 1put h MET 24 Cb 2.15 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.78 1put h MET 24 CO -0.00 0.79 -0.32 0.37 1.06 0.00 0.00 176.91 178.81 1put h GLN 25 N -0.32 -0.40 -0.20 1.72 5.75 0.42 0.48 115.11 122.55 1put h GLN 25 Ca -0.01 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.58 1put h GLN 25 Cb 0.81 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 1put h GLN 25 CO 0.04 -0.27 0.16 0.00 -2.65 0.00 0.00 178.83 176.11 1put h ALA 26 N 0.37 2.06 -0.19 3.38 0.00 -1.47 0.86 119.26 124.27 1put h ALA 26 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1put h ALA 26 Cb 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1put h ALA 26 CO -0.33 -0.26 -0.33 0.00 0.00 0.00 0.00 179.25 178.34 1put h ALA 27 N 1.87 1.08 -1.00 0.00 0.00 0.64 -1.94 119.26 119.91 1put h ALA 27 Ca 0.09 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1put h ALA 27 Cb 0.41 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1put h ALA 27 CO -0.00 0.57 0.63 0.28 0.00 0.00 0.00 179.25 180.73 1put h VAL 28 N 0.34 0.92 0.00 0.00 2.07 0.92 0.40 116.25 120.89 1put h VAL 28 Ca 0.04 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1put h VAL 28 Cb 0.74 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1put h VAL 28 CO 0.06 0.18 -0.00 -1.28 0.02 0.00 0.00 177.57 176.55 1put h SER 29 N 0.99 -0.00 0.00 0.57 0.87 -1.55 -3.21 113.55 111.22 1put h SER 29 Ca 0.50 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1put h SER 29 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1put h SER 29 CO -0.26 0.90 0.05 0.59 -0.53 0.00 0.00 176.83 177.58 1put n ASN 30 N -4.64 0.37 0.00 6.23 3.02 -0.75 -4.76 115.26 114.72 1put n ASN 30 Ca -0.08 0.65 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1put n ASN 30 Cb 0.39 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.34 0.49 0.11 7.41 0.00 0.12 -4.90 105.19 107.06 1put n GLY 31 Ca -0.01 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.93 1.69 -0.30 -0.61 5.41 0.20 -2.88 119.36 119.95 1put n ILE 32 Ca 0.00 -0.73 0.17 0.00 1.00 0.00 0.00 62.75 63.19 1put n ILE 32 Cb 0.00 -1.35 0.43 0.00 -0.71 0.00 0.00 39.64 38.01 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 0.03 0.76 0.00 1.39 -0.00 -1.61 0.51 116.97 118.06 1put h TYR 33 Ca -0.35 0.02 -0.16 0.00 -0.00 0.00 0.00 58.73 58.24 1put h TYR 33 Cb 2.03 -0.23 -0.02 0.00 -0.00 0.00 0.00 36.73 38.50 1put h TYR 33 CO 0.04 0.18 -0.92 0.22 -0.00 0.00 0.00 178.16 177.68 1put h ASP 34 N 0.56 0.00 -0.95 0.10 1.82 -1.80 -1.07 116.42 115.07 1put h ASP 34 Ca 0.52 0.00 0.28 0.00 -0.39 0.00 0.00 57.03 57.44 1put h ASP 34 Cb 1.09 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.06 1put h ASP 34 CO -0.27 0.69 0.99 -0.29 -1.61 0.00 0.00 179.24 178.75 1put h ILE 35 N 0.00 0.14 0.00 2.25 6.09 0.16 -3.23 117.51 122.92 1put h ILE 35 Ca -0.06 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1put h ILE 35 Cb 1.58 0.22 0.00 0.00 0.47 0.00 0.00 36.82 39.10 1put h ILE 35 CO 0.08 0.00 -0.35 0.55 -3.07 0.00 0.00 178.15 175.36 1put n VAL 36 N -3.51 0.12 -1.38 2.19 3.14 -1.22 -5.10 118.33 112.56 1put n VAL 36 Ca 0.21 0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 1put n VAL 36 Cb 1.29 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 1put n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1put n GLY 37 N 2.21 -4.64 0.00 7.55 0.00 -0.41 -5.10 105.19 104.81 1put n GLY 37 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.07 0.00 -0.17 1.61 8.00 -1.26 -4.96 116.55 120.83 1put n ASP 38 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1put n ASP 38 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 1.06 -0.09 7.00 0.00 0.00 -1.26 -4.53 105.19 107.37 1put n GLY 40 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.68 2.19 -0.02 0.00 -1.26 -3.31 105.19 105.47 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 2.42 0.56 -1.34 1.61 7.64 -1.26 -4.69 113.62 118.55 1put n SER 42 Ca 0.00 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1put n SER 42 Cb 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1put n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1put n ALA 43 N 0.72 0.00 -3.19 -0.43 0.00 -1.21 -5.05 120.51 111.35 1put n ALA 43 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.49 1put n ALA 43 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1put n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1put n SER 44 N 0.00 0.81 -0.98 0.00 3.41 -1.26 -5.10 113.62 110.51 1put n SER 44 Ca 0.00 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1put n SER 44 Cb 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1put n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1put n ALA 46 N -3.00 1.77 0.36 0.00 0.00 -1.26 -4.52 120.51 113.86 1put n ALA 46 Ca 0.00 -0.49 0.12 0.00 0.00 0.00 0.00 53.44 53.07 1put n ALA 46 Cb 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 19.45 19.31 1put n ALA 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1put n THR 47 N 0.00 0.45 -0.95 0.00 -1.04 -1.26 -4.08 114.28 107.40 1put n THR 47 Ca 0.00 -0.40 -0.16 0.00 -2.04 0.00 0.00 64.05 61.46 1put n THR 47 Cb 0.59 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1put n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1put n HIS 49 N 0.77 2.88 -2.68 0.00 -0.00 -1.26 -3.39 115.22 111.55 1put n HIS 49 Ca 0.30 -2.41 -0.36 0.00 -0.00 0.00 0.00 57.72 55.25 1put n HIS 49 Cb 0.59 -2.21 -0.05 0.00 -0.00 0.00 0.00 29.99 28.31 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 4.42 4.03 -0.41 3.57 -7.23 -0.72 -1.72 120.40 122.33 1put s VAL 50 Ca 0.53 1.54 -0.03 0.00 -1.81 0.00 0.00 61.98 62.21 1put s VAL 50 Cb 0.13 -3.79 0.11 0.00 0.56 0.00 0.00 36.38 33.38 1put s VAL 50 CO 0.02 -0.00 0.21 -0.31 -0.31 0.00 0.00 175.10 174.70 1put s TYR 51 N -1.74 3.55 0.67 2.82 2.02 -0.48 -2.28 117.35 121.92 1put s TYR 51 Ca 0.56 -2.32 -0.03 0.00 -0.37 0.00 0.00 57.07 54.91 1put s TYR 51 Cb -0.18 -3.18 0.08 0.00 -0.40 0.00 0.00 41.96 38.28 1put s TYR 51 CO 0.23 -0.96 0.95 0.08 -1.57 0.00 0.00 175.55 174.28 1put s VAL 52 N 1.17 2.35 1.07 0.71 1.01 -1.26 0.51 120.40 125.96 1put s VAL 52 Ca 0.07 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1put s VAL 52 Cb -0.23 -2.86 0.27 0.00 0.00 0.00 0.00 36.38 33.56 1put s VAL 52 CO -0.04 0.00 0.91 -3.20 0.00 0.00 0.00 175.10 172.78 1put n ASN 53 N -2.75 -2.12 -0.81 3.32 2.85 -0.18 -4.88 115.26 110.69 1put n ASN 53 Ca 0.11 -1.04 0.11 0.00 -0.11 0.00 0.00 54.58 53.65 1put n ASN 53 Cb 0.60 -0.86 0.07 0.00 1.24 0.00 0.00 39.78 40.84 1put n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1put n GLU 54 N -4.44 1.96 -0.00 1.20 1.02 -1.26 -3.81 120.64 115.30 1put n GLU 54 Ca 0.13 -1.64 0.05 0.00 -0.02 0.00 0.00 57.16 55.68 1put n GLU 54 Cb 0.50 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.41 1put n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1put n ALA 55 N 0.96 2.94 -0.02 0.62 0.00 -1.26 -4.54 120.51 119.21 1put n ALA 55 Ca 0.12 -0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.35 1put n ALA 55 Cb 0.54 -0.38 -0.14 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.52 0.00 0.59 0.00 3.72 -1.26 -4.23 117.46 114.76 1put n PHE 56 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 1put n PHE 56 Cb 0.21 -0.47 0.32 0.00 -0.94 0.00 0.00 39.48 38.61 1put n PHE 56 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1put n THR 57 N -2.19 0.73 -0.08 4.37 -2.24 -1.25 -3.10 114.28 110.52 1put n THR 57 Ca -0.07 0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1put n THR 57 Cb 0.55 -0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1put n THR 57 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1put h ASP 58 N 0.00 0.00 -0.98 3.42 1.82 -1.83 -3.36 116.42 115.49 1put h ASP 58 Ca 0.00 -0.23 0.18 0.00 -0.39 0.00 0.00 57.03 56.59 1put h ASP 58 Cb 0.14 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.06 1put h ASP 58 CO 0.00 0.97 0.61 0.11 -1.61 0.00 0.00 179.24 179.32 1put h LYS 59 N -1.00 0.71 -6.61 0.28 6.56 -1.77 -3.42 116.57 111.32 1put h LYS 59 Ca -0.11 -0.04 -0.50 0.00 -1.06 0.00 0.00 60.65 58.94 1put h LYS 59 Cb 0.73 -0.16 0.23 0.00 -0.57 0.00 0.00 32.23 32.46 1put h LYS 59 CO -0.07 0.47 -1.07 1.33 -2.06 0.00 0.00 179.45 178.06 1put n VAL 60 N -4.66 0.00 -0.35 0.50 0.24 -1.18 -4.92 118.33 107.95 1put n VAL 60 Ca 0.21 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 61.98 1put n VAL 60 Cb 0.55 -0.51 0.26 0.00 -1.47 0.00 0.00 33.84 32.68 1put n VAL 60 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1put n PRO 61 N -1.12 -3.84 -2.76 7.34 -0.02 -1.26 -4.93 135.00 128.41 1put n PRO 61 Ca 0.03 -1.13 -0.34 0.00 -2.02 0.00 0.00 63.50 60.04 1put n PRO 61 Cb 0.59 -1.91 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 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 -5.40 5.39 -1.72 3.55 0.00 -1.26 -4.99 120.51 116.08 1put n ALA 62 Ca 0.09 -4.63 -0.64 0.00 0.00 0.00 0.00 53.44 48.25 1put n ALA 62 Cb 0.56 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.16 -1.00 0.00 0.00 -1.26 -4.90 120.51 112.01 1put n ALA 63 Ca 0.39 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.31 1put n ALA 63 Cb 0.33 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 4.22 -0.07 -0.00 0.00 3.02 -1.26 -4.91 115.26 116.26 1put n ASN 64 Ca 0.29 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.94 1put n ASN 64 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.07 0.15 -0.23 3.52 0.00 -1.26 -4.26 120.64 118.49 1put n GLU 65 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 57.16 57.12 1put n GLU 65 Cb 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.06 1put n GLU 65 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1put h ARG 66 N 0.00 0.51 0.00 5.31 -0.00 -2.01 0.15 114.38 118.35 1put h ARG 66 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1put h ARG 66 Cb 0.60 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.46 1put h ARG 66 CO 0.00 0.34 -0.08 -0.85 -0.00 0.00 0.00 179.97 179.38 1put n GLU 67 N -4.91 0.25 0.09 0.08 -0.00 -1.26 -3.36 120.64 111.53 1put n GLU 67 Ca 0.10 0.19 -0.08 0.00 -0.00 0.00 0.00 57.16 57.36 1put n GLU 67 Cb 0.27 -1.77 -0.03 0.00 -0.00 0.00 0.00 31.44 29.90 1put n GLU 67 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1put h ILE 68 N 0.00 1.54 -0.40 3.84 1.08 -0.93 -3.14 117.51 119.50 1put h ILE 68 Ca 0.00 -2.82 0.08 0.00 -0.39 0.00 0.00 64.86 61.73 1put h ILE 68 Cb 0.73 2.58 -0.09 0.00 -3.07 0.00 0.00 36.82 36.97 1put h ILE 68 CO 0.00 0.82 -0.34 1.23 -0.69 0.00 0.00 178.15 179.17 1put h GLY 69 N 2.08 -0.28 2.00 5.37 0.00 -1.22 1.38 103.07 112.41 1put h GLY 69 Ca -0.04 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 1put h GLY 69 CO 0.14 -0.20 -0.19 -0.33 0.00 0.00 0.00 176.54 175.95 1put h MET 70 N -0.26 0.00 -0.02 4.80 2.86 -1.76 -1.56 114.93 118.99 1put h MET 70 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1put h MET 70 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1put h MET 70 CO -0.54 0.19 0.00 -0.11 1.06 0.00 0.00 176.91 177.51 1put n LEU 71 N -3.57 1.51 0.04 1.22 -0.00 0.16 -3.74 117.00 112.62 1put n LEU 71 Ca -0.01 -0.51 0.01 0.00 -0.00 0.00 0.00 56.01 55.50 1put n LEU 71 Cb 0.34 -0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.68 1put n LEU 71 CO 0.32 0.25 -0.27 -0.08 -0.00 0.00 0.00 177.39 177.62 1put h GLU 72 N 2.36 0.00 -0.95 1.96 4.22 0.26 -3.33 114.58 119.10 1put h GLU 72 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.88 1put h GLU 72 Cb 0.50 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.46 1put h GLU 72 CO 0.00 0.27 0.64 0.00 -2.18 0.00 0.00 179.01 177.75 1put s VAL 74 N -3.98 2.23 -1.57 0.00 1.01 -1.25 -4.85 120.40 111.98 1put s VAL 74 Ca 0.59 0.07 0.18 0.00 0.00 0.00 0.00 61.98 62.83 1put s VAL 74 Cb 0.49 -2.24 0.37 0.00 0.00 0.00 0.00 36.38 34.99 1put s VAL 74 CO 0.05 -0.10 1.52 0.41 0.00 0.00 0.00 175.10 176.99 1put n THR 75 N -4.40 0.35 -1.76 3.92 -1.04 -1.26 -4.72 114.28 105.36 1put n THR 75 Ca 0.07 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1put n THR 75 Cb 0.54 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 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 -1.21 0.00 -2.63 2.41 0.00 -1.26 -4.69 120.51 113.12 1put n ALA 76 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 1put n ALA 76 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 2.46 2.28 0.22 0.00 -1.05 -1.26 -5.02 118.70 116.33 1put s GLU 77 Ca 0.00 -1.19 0.02 0.00 -0.15 0.00 0.00 54.97 53.65 1put s GLU 77 Cb 0.00 -2.28 -0.05 0.00 -0.44 0.00 0.00 34.13 31.36 1put s GLU 77 CO 0.00 0.44 0.03 -1.17 0.95 0.00 0.00 175.26 175.51 1put s LEU 78 N -2.97 2.01 0.27 1.83 0.20 -1.26 -4.98 118.68 113.78 1put s LEU 78 Ca 0.27 -1.25 -0.16 0.00 0.69 0.00 0.00 54.13 53.68 1put s LEU 78 Cb -0.09 -0.11 0.01 0.00 -0.43 0.00 0.00 46.19 45.58 1put s LEU 78 CO 0.18 -0.60 0.60 -1.59 -0.29 0.00 0.00 176.35 174.65 1put s LYS 79 N -3.93 1.70 0.31 1.98 -2.85 -1.26 -4.99 119.74 110.70 1put s LYS 79 Ca 0.29 -1.16 0.17 0.00 -1.00 0.00 0.00 55.97 54.28 1put s LYS 79 Cb 0.06 0.54 0.94 0.00 -2.06 0.00 0.00 37.83 37.32 1put s LYS 79 CO 0.08 -0.74 1.48 -2.30 0.10 0.00 0.00 175.35 173.97 1put n PRO 80 N -0.43 0.11 0.01 1.78 -0.01 -1.26 -0.90 135.00 134.30 1put n PRO 80 Ca -0.03 0.60 -0.09 0.00 -0.01 0.00 0.00 63.50 63.98 1put n PRO 80 Cb 0.61 -2.01 -0.13 0.00 -0.01 0.00 0.00 33.50 31.95 1put n PRO 80 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 175.50 174.52 1put h ASN 81 N 0.00 0.02 -4.15 2.55 -0.00 -1.95 -3.46 115.58 108.59 1put h ASN 81 Ca 0.00 -0.03 -0.48 0.00 -0.00 0.00 0.00 56.30 55.78 1put h ASN 81 Cb 0.26 -0.01 0.05 0.00 -0.00 0.00 0.00 38.32 38.62 1put h ASN 81 CO 0.00 1.03 0.38 -0.44 -0.00 0.00 0.00 177.43 178.40 1put s SER 82 N -6.31 6.02 0.19 1.15 0.01 -0.08 -4.07 113.70 110.61 1put s SER 82 Ca -0.03 1.86 -0.09 0.00 1.31 0.00 0.00 55.95 58.99 1put s SER 82 Cb 0.09 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.81 1put s SER 82 CO 0.82 -1.00 0.46 0.54 0.41 0.00 0.00 173.24 174.47 1put n ARG 83 N -1.61 0.56 -3.32 12.44 1.74 -0.97 -4.81 116.66 120.70 1put n ARG 83 Ca 0.09 -1.13 -0.45 0.00 -0.77 0.00 0.00 57.85 55.60 1put n ARG 83 Cb 0.53 1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 33.33 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 5.69 0.64 0.55 1.02 -1.25 -1.76 118.68 123.57 1put s LEU 84 Ca 0.09 -1.42 0.23 0.00 0.02 0.00 0.00 54.13 53.06 1put s LEU 84 Cb -0.02 -2.23 1.17 0.00 0.02 0.00 0.00 46.19 45.13 1put s LEU 84 CO 0.06 -0.77 1.65 0.00 0.02 0.00 0.00 176.35 177.32 1put n GLN 87 N -3.84 1.79 -3.97 0.00 6.02 0.10 -4.86 117.38 112.62 1put n GLN 87 Ca -0.12 -1.58 -0.09 0.00 -0.01 0.00 0.00 57.00 55.20 1put n GLN 87 Cb 0.92 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 30.44 1put n GLN 87 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1put s ILE 88 N -2.24 0.10 0.37 5.09 1.01 -1.21 -4.90 121.20 119.43 1put s ILE 88 Ca 0.31 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.23 1put s ILE 88 Cb 0.25 -0.24 -0.06 0.00 0.01 0.00 0.00 42.46 42.42 1put s ILE 88 CO 0.00 -0.45 0.05 -0.63 0.00 0.00 0.00 174.94 173.92 1put s ILE 89 N -1.31 2.43 -0.35 2.92 -1.09 -1.26 -3.79 121.20 118.74 1put s ILE 89 Ca -0.14 -1.91 0.01 0.00 -2.23 0.00 0.00 60.65 56.37 1put s ILE 89 Cb -0.09 -2.88 0.11 0.00 -1.58 0.00 0.00 42.46 38.02 1put s ILE 89 CO -0.01 -0.11 0.14 -0.32 -1.23 0.00 0.00 174.94 173.40 1put s MET 90 N -3.76 0.96 0.53 2.79 -2.45 -0.49 -4.79 119.30 112.09 1put s MET 90 Ca 0.36 -1.43 0.04 0.00 -1.25 0.00 0.00 55.69 53.41 1put s MET 90 Cb 0.03 -2.20 0.04 0.00 1.25 0.00 0.00 34.83 33.94 1put s MET 90 CO 0.20 -1.04 0.74 0.95 1.05 0.00 0.00 175.02 176.92 1put s THR 91 N 1.16 2.66 -0.22 10.11 -4.23 -1.26 -4.12 115.64 119.74 1put s THR 91 Ca 0.12 -0.78 0.19 0.00 -1.18 0.00 0.00 61.69 60.05 1put s THR 91 Cb -0.20 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 70.95 1put s THR 91 CO -0.15 0.00 1.58 -2.65 -0.54 0.00 0.00 174.62 172.85 1put n PRO 92 N -2.25 0.12 -0.16 3.99 -0.02 -1.26 -1.66 135.00 133.77 1put n PRO 92 Ca 0.09 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 1put n PRO 92 Cb 0.60 -1.95 0.20 0.00 -0.02 0.00 0.00 33.50 32.33 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 0.88 -5.90 -0.52 4.11 -2.00 -3.42 114.58 107.73 1put h GLU 93 Ca 0.00 -0.15 -0.62 0.00 0.07 0.00 0.00 59.36 58.66 1put h GLU 93 Cb 0.07 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1put h GLU 93 CO 0.00 0.73 -0.28 -0.51 0.07 0.00 0.00 179.01 179.03 1put s LEU 94 N -9.48 4.45 -0.04 3.06 1.02 -0.66 -5.07 118.68 111.96 1put s LEU 94 Ca -0.10 0.83 -0.01 0.00 0.02 0.00 0.00 54.13 54.87 1put s LEU 94 Cb 0.16 -2.45 0.03 0.00 0.02 0.00 0.00 46.19 43.95 1put s LEU 94 CO 0.80 0.34 0.03 1.51 0.02 0.00 0.00 176.35 179.05 1put s ASP 95 N -1.03 0.80 -0.59 2.29 -4.77 -1.26 -4.15 116.67 107.96 1put s ASP 95 Ca 0.21 0.02 -0.04 0.00 -3.30 0.00 0.00 52.55 49.45 1put s ASP 95 Cb -0.15 -0.19 0.00 0.00 -1.09 0.00 0.00 42.92 41.49 1put s ASP 95 CO 0.11 -0.18 0.47 0.61 0.70 0.00 0.00 175.17 176.88 1put n GLY 96 N 4.74 0.29 3.78 2.12 0.00 -1.05 -4.71 105.19 110.36 1put n GLY 96 Ca -0.15 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.08 3.49 -0.31 -0.61 -1.16 -1.18 -4.89 121.20 113.46 1put s ILE 97 Ca 0.23 1.05 0.00 0.00 -0.51 0.00 0.00 60.65 61.43 1put s ILE 97 Cb -0.10 -3.50 0.07 0.00 0.61 0.00 0.00 42.46 39.54 1put s ILE 97 CO 0.29 -0.08 0.01 -0.69 -2.81 0.00 0.00 174.94 171.65 1put s VAL 98 N -1.72 2.70 -0.07 4.00 1.01 -1.26 -2.08 120.40 122.98 1put s VAL 98 Ca 0.64 -1.72 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1put s VAL 98 Cb -0.23 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1put s VAL 98 CO 0.27 -0.26 0.13 0.68 0.00 0.00 0.00 175.10 175.93 1put s VAL 99 N 1.14 5.27 0.47 2.92 -7.23 -0.57 -1.01 120.40 121.38 1put s VAL 99 Ca -0.01 -0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.14 1put s VAL 99 Cb -0.20 -3.36 -0.02 0.00 0.56 0.00 0.00 36.38 33.36 1put s VAL 99 CO -0.04 0.49 0.04 -1.81 -0.31 0.00 0.00 175.10 173.47 1put s ASP 100 N -1.40 3.70 0.01 4.85 1.01 0.18 0.76 116.67 125.77 1put s ASP 100 Ca 0.20 -1.63 0.02 0.00 0.71 0.00 0.00 52.55 51.85 1put s ASP 100 Cb -0.12 0.43 -0.04 0.00 1.01 0.00 0.00 42.92 44.21 1put s ASP 100 CO 0.10 -0.84 -0.01 -0.69 0.21 0.00 0.00 175.17 173.94 1put s VAL 101 N -2.97 4.05 0.45 -1.27 1.01 0.70 -1.39 120.40 120.98 1put s VAL 101 Ca 0.14 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1put s VAL 101 Cb 0.03 -2.81 0.09 0.00 0.00 0.00 0.00 36.38 33.69 1put s VAL 101 CO 0.08 0.36 0.21 -2.65 0.00 0.00 0.00 175.10 173.09 1put n PRO 102 N 1.35 -0.94 -0.07 2.72 -0.02 -0.70 -3.76 135.00 133.58 1put n PRO 102 Ca -0.14 -0.35 -0.04 0.00 -2.02 0.00 0.00 63.50 60.95 1put n PRO 102 Cb 0.53 -0.65 -0.16 0.00 -0.02 0.00 0.00 33.50 33.20 1put n PRO 102 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1put n ASP 103 N -1.79 0.18 -4.18 2.55 5.75 -1.26 -4.09 116.55 113.70 1put n ASP 103 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.62 1put n ASP 103 Cb 0.15 1.27 -0.12 0.00 -1.03 0.00 0.00 41.12 41.39 1put n ASP 103 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1put s ARG 104 N -2.77 0.86 -0.31 0.11 6.06 -1.26 -5.03 118.95 116.61 1put s ARG 104 Ca -0.09 -0.96 0.09 0.00 -2.50 0.00 0.00 55.73 52.27 1put s ARG 104 Cb 0.08 -0.89 0.46 0.00 0.06 0.00 0.00 34.95 34.66 1put s ARG 104 CO 0.82 0.20 1.16 1.04 -2.50 0.00 0.00 175.30 176.02 1put n GLN 105 N 1.30 3.29 -0.31 5.12 6.02 -1.26 -4.58 117.38 126.97 1put n GLN 105 Ca -0.21 -4.12 0.00 0.00 -0.01 0.00 0.00 57.00 52.66 1put n GLN 105 Cb 0.54 -2.17 0.00 0.00 1.02 0.00 0.00 30.24 29.63 1put n GLN 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96