#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvs s GLU 2 N 0.00 1.97 -0.54 3.23 8.01 -1.26 -5.09 118.70 125.02 1tvs s GLU 2 Ca 0.00 -2.14 0.07 0.00 0.01 0.00 0.00 54.97 52.91 1tvs s GLU 2 Cb 0.00 -1.53 0.27 0.00 -4.31 0.00 0.00 34.13 28.56 1tvs s GLU 2 CO 0.00 -0.12 0.71 -3.47 0.01 0.00 0.00 175.26 172.39 1tvs n ASP 3 N -0.99 2.59 0.28 -0.19 -0.08 -1.26 -4.92 116.55 111.96 1tvs n ASP 3 Ca -0.07 -3.23 0.17 0.00 -1.51 0.00 0.00 54.79 50.16 1tvs n ASP 3 Cb 0.67 -0.64 0.94 0.00 2.34 0.00 0.00 41.12 44.43 1tvs n ASP 3 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1tvs h ARG 4 N 3.84 0.00 -0.00 -0.67 3.08 -2.04 -0.16 114.38 118.44 1tvs h ARG 4 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1tvs h ARG 4 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1tvs h ARG 4 CO 0.70 0.00 -0.14 2.89 -1.07 0.00 0.00 179.97 182.35 1tvs n ARG 5 N -3.63 0.25 -0.02 0.04 1.85 -1.26 -5.03 116.66 108.86 1tvs n ARG 5 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1tvs n ARG 5 Cb 0.19 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 1tvs n ARG 5 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1tvs n ILE 6 N -1.32 -0.97 -0.01 8.89 5.41 -0.07 -4.76 119.36 126.53 1tvs n ILE 6 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1tvs n ILE 6 Cb 0.31 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.27 1tvs n ILE 6 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1tvs n PRO 7 N -0.22 0.87 0.00 0.38 -0.04 -1.26 -4.19 135.00 130.54 1tvs n PRO 7 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1tvs n PRO 7 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1tvs n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tvs n GLY 8 N 0.86 0.00 0.23 0.55 0.00 -1.26 -0.34 105.19 105.23 1tvs n GLY 8 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1tvs n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tvs n THR 9 N -3.77 -0.30 -0.01 2.61 -2.24 -1.26 0.14 114.28 109.44 1tvs n THR 9 Ca 0.00 1.48 -0.13 0.00 -2.27 0.00 0.00 64.05 63.13 1tvs n THR 9 Cb 0.00 -2.34 -0.10 0.00 -2.10 0.00 0.00 70.33 65.79 1tvs n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tvs h ALA 10 N 1.43 -0.03 -0.51 6.98 0.00 -0.85 0.53 119.26 126.80 1tvs h ALA 10 Ca 0.56 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1tvs h ALA 10 Cb 1.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1tvs h ALA 10 CO -0.58 -0.21 0.17 0.93 0.00 0.00 0.00 179.25 179.55 1tvs h GLU 11 N -0.65 0.76 -0.82 0.00 3.07 -0.76 -1.59 114.58 114.59 1tvs h GLU 11 Ca -0.00 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1tvs h GLU 11 Cb 0.60 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.35 1tvs h GLU 11 CO 0.01 0.66 0.35 1.49 -1.40 0.00 0.00 179.01 180.11 1tvs h GLU 12 N 0.74 1.21 0.00 2.33 4.81 0.13 -3.34 114.58 120.47 1tvs h GLU 12 Ca 0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1tvs h GLU 12 Cb 0.21 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1tvs h GLU 12 CO -0.01 0.96 0.00 0.09 -0.73 0.00 0.00 179.01 179.32 1tvs n ASN 13 N -4.28 0.00 0.00 1.04 3.02 0.18 -4.74 115.26 110.48 1tvs n ASN 13 Ca 0.08 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 1tvs n ASN 13 Cb 0.17 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1tvs n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1tvs n LEU 14 N -0.92 0.00 -1.79 3.41 4.77 -1.20 -1.05 117.00 120.22 1tvs n LEU 14 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1tvs n LEU 14 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1tvs n LEU 14 CO 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 177.39 176.21 1tvs n GLN 15 N 0.00 0.49 -3.47 3.23 -0.00 -1.26 -5.07 117.38 111.30 1tvs n GLN 15 Ca 0.00 -2.06 -0.08 0.00 -0.00 0.00 0.00 57.00 54.86 1tvs n GLN 15 Cb 0.00 -0.21 -0.08 0.00 -0.00 0.00 0.00 30.24 29.95 1tvs n GLN 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1tvs s LYS 16 N -0.81 0.35 0.18 2.61 -2.85 -0.21 -5.17 119.74 113.85 1tvs s LYS 16 Ca 0.24 0.78 -0.03 0.00 -1.00 0.00 0.00 55.97 55.96 1tvs s LYS 16 Cb 0.30 -0.06 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 1tvs s LYS 16 CO -0.10 -0.47 0.17 0.45 0.10 0.00 0.00 175.35 175.49 1tvs s SER 17 N 2.60 0.15 -0.14 0.03 0.15 -1.26 -4.42 113.70 110.81 1tvs s SER 17 Ca 0.07 -1.22 0.02 0.00 0.70 0.00 0.00 55.95 55.52 1tvs s SER 17 Cb -0.14 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1tvs s SER 17 CO -0.15 -0.85 -0.18 -0.55 1.20 0.00 0.00 173.24 172.71 1tvs s SER 18 N -3.09 2.82 -0.42 5.45 0.15 -1.26 -5.04 113.70 112.32 1tvs s SER 18 Ca 0.30 -0.53 0.10 0.00 0.70 0.00 0.00 55.95 56.52 1tvs s SER 18 Cb 0.06 -1.29 0.35 0.00 -1.71 0.00 0.00 66.02 63.43 1tvs s SER 18 CO 0.07 0.02 0.78 0.61 1.20 0.00 0.00 173.24 175.93 1tvs n GLY 19 N 4.31 4.07 3.51 9.45 0.00 -1.26 -5.04 105.19 120.23 1tvs n GLY 19 Ca -0.19 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 1tvs n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tvs s GLY 20 N -2.67 1.81 0.27 -0.02 0.00 -1.26 -5.01 107.32 100.44 1tvs s GLY 20 Ca 0.42 -2.82 -0.29 0.00 0.00 0.00 0.00 44.72 42.02 1tvs s GLY 20 CO -0.09 2.36 1.11 -1.34 0.00 0.00 0.00 173.10 175.14 1tvs s VAL 21 N 3.35 3.50 0.29 1.40 -7.23 -1.26 -4.96 120.40 115.49 1tvs s VAL 21 Ca 0.44 1.47 0.11 0.00 -1.81 0.00 0.00 61.98 62.19 1tvs s VAL 21 Cb -0.01 -3.94 0.00 0.00 0.56 0.00 0.00 36.38 33.00 1tvs s VAL 21 CO -0.03 0.34 1.66 1.55 -0.31 0.00 0.00 175.10 178.31 1tvs h PRO 22 N 4.01 0.00 -0.98 4.82 0.13 -2.06 -3.17 132.00 134.76 1tvs h PRO 22 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.45 1tvs h PRO 22 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1tvs h PRO 22 CO 0.68 0.56 0.27 0.41 -0.23 0.00 0.00 178.00 179.69 1tvs n GLY 23 N 0.10 3.05 0.16 1.56 0.00 -1.26 -4.36 105.19 104.44 1tvs n GLY 23 Ca -0.01 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 1tvs n GLY 23 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1tvs h GLN 24 N 0.60 0.51 -0.24 1.61 -0.00 -1.89 -0.09 115.11 115.60 1tvs h GLN 24 Ca 0.26 -0.62 -0.12 0.00 -0.00 0.00 0.00 58.65 58.18 1tvs h GLN 24 Cb 1.80 0.19 -0.01 0.00 -0.00 0.00 0.00 27.48 29.46 1tvs h GLN 24 CO 0.48 1.24 -0.34 -0.97 -0.00 0.00 0.00 178.83 179.25 1tvs h ASN 25 N 0.25 0.54 0.04 0.06 -0.73 -1.87 -2.69 115.58 111.18 1tvs h ASN 25 Ca -0.13 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 57.83 1tvs h ASN 25 Cb 1.75 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 40.19 1tvs h ASN 25 CO 0.20 0.84 -0.02 1.07 -0.37 0.00 0.00 177.43 179.15 1tvs n THR 26 N -4.07 0.00 -0.50 -3.57 5.66 -1.24 -4.95 114.28 105.61 1tvs n THR 26 Ca -0.01 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1tvs n THR 26 Cb 0.47 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1tvs n THR 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tvs n GLY 27 N 1.12 -0.54 0.00 1.09 0.00 -1.01 -4.54 105.19 101.30 1tvs n GLY 27 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1tvs n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tvs n GLY 28 N -0.07 1.42 3.76 -0.02 0.00 -0.06 -0.31 105.19 109.90 1tvs n GLY 28 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1tvs n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tvs s GLN 29 N 0.00 4.26 0.00 1.61 1.11 -1.26 -2.79 119.66 122.59 1tvs s GLN 29 Ca 0.00 2.33 0.00 0.00 0.01 0.00 0.00 55.36 57.70 1tvs s GLN 29 Cb 0.00 -3.08 0.00 0.00 -1.01 0.00 0.00 33.01 28.92 1tvs s GLN 29 CO 0.00 -0.39 0.00 0.39 0.01 0.00 0.00 175.29 175.30 1tvs n GLU 30 N 1.70 0.00 0.00 2.91 -0.58 -1.26 -4.84 120.64 118.58 1tvs n GLU 30 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1tvs n GLU 30 Cb 0.40 -3.74 0.00 0.00 -0.57 0.00 0.00 31.44 27.54 1tvs n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tvs n ALA 31 N 0.97 0.00 -3.33 0.62 0.00 -1.12 -5.05 120.51 112.60 1tvs n ALA 31 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1tvs n ALA 31 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1tvs n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tvs n ARG 32 N 0.00 -1.50 -1.27 0.00 5.12 0.57 -4.96 116.66 114.62 1tvs n ARG 32 Ca 0.00 1.07 -0.32 0.00 -1.93 0.00 0.00 57.85 56.68 1tvs n ARG 32 Cb 0.00 -4.89 0.10 0.00 -1.16 0.00 0.00 32.46 26.50 1tvs n ARG 32 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1tvs s PRO 33 N -4.12 2.15 -1.48 5.56 0.04 -1.26 -4.82 135.00 131.08 1tvs s PRO 33 Ca 0.17 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1tvs s PRO 33 Cb -0.04 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1tvs s PRO 33 CO 0.79 -1.74 2.45 0.09 0.04 0.00 0.00 177.00 178.64 1tvs n ASN 34 N -3.40 6.20 0.18 6.66 3.02 -1.26 -4.57 115.26 122.08 1tvs n ASN 34 Ca 0.10 -2.82 -0.08 0.00 -0.03 0.00 0.00 54.58 51.75 1tvs n ASN 34 Cb 0.53 -1.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.09 1tvs n ASN 34 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1tvs h TYR 35 N 5.46 -0.46 -0.60 3.10 -0.00 -1.95 -3.34 116.97 119.18 1tvs h TYR 35 Ca 0.67 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 59.39 1tvs h TYR 35 Cb 0.48 0.15 0.00 0.00 -0.00 0.00 0.00 36.73 37.36 1tvs h TYR 35 CO 1.59 -0.29 0.00 -2.39 -0.00 0.00 0.00 178.16 177.08 1tvs n HIS 36 N -4.50 0.80 0.00 0.10 1.44 -1.26 -4.95 115.22 106.85 1tvs n HIS 36 Ca -0.06 -0.40 0.00 0.00 -2.01 0.00 0.00 57.72 55.25 1tvs n HIS 36 Cb 0.20 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.31 1tvs n HIS 36 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tvs h GLN 38 N 1.24 0.93 0.00 0.00 5.75 -1.92 0.82 115.11 121.92 1tvs h GLN 38 Ca 0.00 -0.50 -0.02 0.00 -0.15 0.00 0.00 58.65 57.99 1tvs h GLN 38 Cb 0.00 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.57 1tvs h GLN 38 CO 0.00 1.15 -0.07 -0.07 -2.65 0.00 0.00 178.83 177.19 1tvs h LEU 39 N 0.75 0.00 -0.22 -2.39 -0.00 -1.86 0.36 115.31 111.95 1tvs h LEU 39 Ca 0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.74 1tvs h LEU 39 Cb 1.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.64 1tvs h LEU 39 CO 0.10 0.07 -0.92 0.00 -0.00 0.00 0.00 178.44 177.70 1tvs h PHE 41 N 0.06 0.07 0.00 0.00 3.57 0.89 -1.77 116.94 119.76 1tvs h PHE 41 Ca -0.04 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1tvs h PHE 41 Cb 1.58 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.30 1tvs h PHE 41 CO 0.02 0.44 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.47 1tvs h LEU 42 N -0.33 0.00 -1.49 0.59 4.07 -0.28 0.45 115.31 118.33 1tvs h LEU 42 Ca 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1tvs h LEU 42 Cb 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1tvs h LEU 42 CO 0.00 0.01 -0.26 -0.09 -1.08 0.00 0.00 178.44 177.02 1tvs h ARG 43 N 0.00 0.00 -0.68 1.13 2.43 0.45 -3.36 114.38 114.35 1tvs h ARG 43 Ca -0.00 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.85 1tvs h ARG 43 Cb 0.01 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.25 1tvs h ARG 43 CO 0.00 0.26 -0.90 0.43 -1.51 0.00 0.00 179.97 178.25 1tvs n SER 44 N -4.17 0.24 -3.48 -3.80 7.64 0.51 -4.87 113.62 105.69 1tvs n SER 44 Ca -0.02 -2.65 -0.38 0.00 1.01 0.00 0.00 58.87 56.82 1tvs n SER 44 Cb 0.31 0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 1tvs n SER 44 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1tvs n LEU 45 N -0.22 2.43 -0.40 -3.43 4.32 0.13 -3.69 117.00 116.15 1tvs n LEU 45 Ca 0.05 -2.11 -0.05 0.00 -0.02 0.00 0.00 56.01 53.88 1tvs n LEU 45 Cb 0.82 -0.79 -0.02 0.00 -1.62 0.00 0.00 43.42 41.81 1tvs n LEU 45 CO 0.15 -1.08 -0.05 0.61 -1.22 0.00 0.00 177.39 175.80 1tvs n GLY 46 N 4.62 0.51 4.69 -0.72 0.00 -1.26 -3.07 105.19 109.97 1tvs n GLY 46 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1tvs n GLY 46 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1tvs n ILE 47 N -2.13 0.00 0.21 -0.61 -0.00 -1.24 -4.60 119.36 110.98 1tvs n ILE 47 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 62.75 62.77 1tvs n ILE 47 Cb 0.53 0.00 0.46 0.00 -0.00 0.00 0.00 39.64 40.63 1tvs n ILE 47 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1tvs h ASP 48 N 0.00 0.00 1.03 7.28 3.58 -1.94 0.74 116.42 127.10 1tvs h ASP 48 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1tvs h ASP 48 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1tvs h ASP 48 CO 0.00 0.29 0.00 0.22 -2.88 0.00 0.00 179.24 176.87 1tvs h TYR 49 N 0.00 0.00 0.00 0.28 3.20 -1.79 -0.30 116.97 118.36 1tvs h TYR 49 Ca -0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1tvs h TYR 49 Cb 0.68 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1tvs h TYR 49 CO 0.00 0.00 -0.82 -0.07 -1.64 0.00 0.00 178.16 175.63 1tvs h LEU 50 N 0.00 0.00 -1.16 2.82 -0.00 -1.14 0.72 115.31 116.55 1tvs h LEU 50 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 1tvs h LEU 50 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1tvs h LEU 50 CO 0.00 0.21 -0.15 -0.78 -0.00 0.00 0.00 178.44 177.72 1tvs h ASP 51 N 0.00 0.40 0.09 -0.43 1.82 -0.90 -1.13 116.42 116.27 1tvs h ASP 51 Ca -0.04 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1tvs h ASP 51 Cb 1.19 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1tvs h ASP 51 CO 0.02 0.57 -0.04 0.00 -1.61 0.00 0.00 179.24 178.18 1tvs h ALA 52 N 1.47 -0.12 -1.00 -0.78 0.00 0.73 0.29 119.26 119.86 1tvs h ALA 52 Ca 0.07 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.10 1tvs h ALA 52 Cb 0.49 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1tvs h ALA 52 CO 0.03 -0.45 0.65 0.77 0.00 0.00 0.00 179.25 180.25 1tvs h SER 53 N -0.35 0.42 -0.45 0.00 0.02 0.14 0.13 113.55 113.45 1tvs h SER 53 Ca -0.01 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1tvs h SER 53 Cb 0.30 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1tvs h SER 53 CO 0.02 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 1tvs n LEU 54 N -4.56 4.47 0.08 5.07 -0.00 -0.53 -4.69 117.00 116.84 1tvs n LEU 54 Ca 0.23 -2.73 0.05 0.00 -0.00 0.00 0.00 56.01 53.56 1tvs n LEU 54 Cb 0.82 -0.55 0.25 0.00 -0.00 0.00 0.00 43.42 43.95 1tvs n LEU 54 CO 0.28 0.71 0.66 -2.11 -0.00 0.00 0.00 177.39 176.93 1tvs n ARG 55 N 0.32 0.06 -1.52 1.47 0.00 0.99 -3.33 116.66 114.64 1tvs n ARG 55 Ca 0.23 0.52 -0.41 0.00 -0.00 0.00 0.00 57.85 58.20 1tvs n ARG 55 Cb 0.91 -1.78 -0.01 0.00 -0.00 0.00 0.00 32.46 31.58 1tvs n ARG 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1tvs n LYS 56 N -1.81 2.86 0.00 2.89 4.81 -1.26 -0.74 118.16 124.92 1tvs n LYS 56 Ca -0.01 -2.37 0.00 0.00 -0.87 0.00 0.00 58.31 55.07 1tvs n LYS 56 Cb 0.09 -3.10 0.00 0.00 0.02 0.00 0.00 35.03 32.05 1tvs n LYS 56 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1tvs n LYS 57 N 5.53 0.00 -1.02 1.64 3.00 -1.25 -4.94 118.16 121.12 1tvs n LYS 57 Ca 0.58 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.67 1tvs n LYS 57 Cb 0.34 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.48 1tvs n LYS 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1tvs n ASN 58 N 0.00 4.88 -0.02 3.14 4.13 -0.84 -4.34 115.26 122.21 1tvs n ASN 58 Ca 0.00 -3.33 -0.17 0.00 1.68 0.00 0.00 54.58 52.76 1tvs n ASN 58 Cb 0.00 -0.85 -0.09 0.00 -1.54 0.00 0.00 39.78 37.30 1tvs n ASN 58 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1tvs h LYS 59 N 1.14 0.56 -0.74 3.52 3.11 -1.24 -3.02 116.57 119.89 1tvs h LYS 59 Ca 0.49 -0.48 -0.37 0.00 -2.81 0.00 0.00 60.65 57.48 1tvs h LYS 59 Cb 1.87 0.11 -0.22 0.00 -1.00 0.00 0.00 32.23 32.99 1tvs h LYS 59 CO 1.00 1.11 0.36 1.04 -2.81 0.00 0.00 179.45 180.14 1tvs n GLN 60 N -4.16 2.27 0.00 1.90 6.02 -1.26 -4.76 117.38 117.39 1tvs n GLN 60 Ca -0.08 -3.08 0.01 0.00 -0.01 0.00 0.00 57.00 53.84 1tvs n GLN 60 Cb 0.65 -2.06 0.05 0.00 1.02 0.00 0.00 30.24 29.90 1tvs n GLN 60 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1tvs n ARG 61 N -1.03 0.09 -0.26 -1.09 1.85 -1.14 -3.96 116.66 111.12 1tvs n ARG 61 Ca 0.48 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.40 1tvs n ARG 61 Cb 1.42 -1.30 0.20 0.00 -1.05 0.00 0.00 32.46 31.73 1tvs n ARG 61 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1tvs h LEU 62 N 0.00 -0.03 0.00 2.89 6.46 -1.87 0.21 115.31 122.97 1tvs h LEU 62 Ca 0.00 0.16 -0.23 0.00 -0.12 0.00 0.00 57.88 57.69 1tvs h LEU 62 Cb 0.00 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1tvs h LEU 62 CO 0.00 -0.07 -1.91 1.17 -0.62 0.00 0.00 178.44 177.01 1tvs n LYS 63 N -5.19 0.65 0.10 1.25 0.00 -1.25 -4.32 118.16 109.39 1tvs n LYS 63 Ca 0.15 0.07 -0.03 0.00 0.00 0.00 0.00 58.31 58.50 1tvs n LYS 63 Cb 0.50 -1.65 0.17 0.00 0.00 0.00 0.00 35.03 34.05 1tvs n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tvs h ALA 64 N 1.32 0.98 -0.59 3.14 0.00 -1.62 -0.64 119.26 121.85 1tvs h ALA 64 Ca -0.29 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.19 1tvs h ALA 64 Cb 1.78 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1tvs h ALA 64 CO 0.04 0.67 0.39 0.97 0.00 0.00 0.00 179.25 181.32 1tvs h ILE 65 N 0.17 1.02 -0.34 0.00 -0.00 -0.79 -1.79 117.51 115.77 1tvs h ILE 65 Ca 0.00 -0.21 -0.21 0.00 -0.00 0.00 0.00 64.86 64.44 1tvs h ILE 65 Cb 0.97 0.36 -0.14 0.00 -0.00 0.00 0.00 36.82 38.02 1tvs h ILE 65 CO 0.08 0.11 -0.28 0.00 -0.00 0.00 0.00 178.15 178.06 1tvs n GLN 66 N -4.47 2.08 -0.75 2.19 3.00 -1.09 -5.06 117.38 113.29 1tvs n GLN 66 Ca 0.08 -3.39 -0.21 0.00 -0.01 0.00 0.00 57.00 53.47 1tvs n GLN 66 Cb 0.21 -1.86 0.17 0.00 0.00 0.00 0.00 30.24 28.77 1tvs n GLN 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1tvs n GLN 67 N -1.05 -2.47 0.00 -1.09 1.13 -0.27 -5.04 117.38 108.60 1tvs n GLN 67 Ca 0.32 -1.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.15 1tvs n GLN 67 Cb 0.91 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 30.12 1tvs n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tvs n GLY 68 N -2.56 -0.03 2.52 1.08 0.00 -1.26 -5.01 105.19 99.94 1tvs n GLY 68 Ca 0.11 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1tvs n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tvs n ARG 69 N -2.13 0.32 0.00 1.61 5.12 -1.26 -4.79 116.66 115.53 1tvs n ARG 69 Ca 0.00 -2.75 0.00 0.00 -1.93 0.00 0.00 57.85 53.17 1tvs n ARG 69 Cb 0.00 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 1tvs n ARG 69 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1tvs n GLN 70 N 2.83 2.04 -0.51 5.56 7.27 -1.26 -4.97 117.38 128.35 1tvs n GLN 70 Ca 0.25 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 57.04 1tvs n GLN 70 Cb 0.51 0.00 0.26 0.00 2.41 0.00 0.00 30.24 33.42 1tvs n GLN 70 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1tvs s PRO 71 N 0.70 -1.29 0.66 3.69 0.04 -1.26 -4.75 135.00 132.78 1tvs s PRO 71 Ca 0.00 0.74 0.18 0.00 0.04 0.00 0.00 61.00 61.96 1tvs s PRO 71 Cb 0.00 -1.52 0.92 0.00 0.04 0.00 0.00 34.50 33.94 1tvs s PRO 71 CO 0.00 -3.95 1.51 1.96 0.04 0.00 0.00 177.00 176.57 1tvs h GLN 72 N -2.78 0.00 0.00 4.56 1.08 -2.00 -3.36 115.11 112.61 1tvs h GLN 72 Ca -0.61 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.59 1tvs h GLN 72 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1tvs h GLN 72 CO 0.49 0.00 0.00 2.48 -0.95 0.00 0.00 178.83 180.85 1tvs n TYR 73 N -2.80 -0.15 0.00 2.96 4.11 -1.26 -4.43 117.16 115.59 1tvs n TYR 73 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1tvs n TYR 73 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.05 1tvs n TYR 73 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 1tvs n LEU 74 N 0.00 0.00 0.00 -3.48 7.94 -1.26 -4.73 117.00 115.47 1tvs n LEU 74 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1tvs n LEU 74 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1tvs n LEU 74 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28