#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1q s ILE 3 N 0.00 1.22 0.09 1.69 -4.36 -0.69 -0.27 121.20 118.88 1s1q s ILE 3 Ca 0.00 -2.02 0.10 0.00 -0.26 0.00 0.00 60.65 58.47 1s1q s ILE 3 Cb 0.00 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 1s1q s ILE 3 CO 0.00 -0.08 -0.24 -0.36 0.24 0.00 0.00 174.94 174.50 1s1q s PHE 4 N -3.28 2.39 -0.10 1.37 0.40 0.13 -1.28 117.98 117.61 1s1q s PHE 4 Ca 0.35 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1s1q s PHE 4 Cb 0.08 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.29 1s1q s PHE 4 CO 0.14 0.28 -0.07 0.08 0.70 0.00 0.00 175.22 176.35 1s1q s VAL 5 N -0.99 0.89 -0.07 -0.44 1.01 -0.44 -0.68 120.40 119.68 1s1q s VAL 5 Ca 0.14 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1s1q s VAL 5 Cb -0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1s1q s VAL 5 CO 0.06 0.34 -0.14 -0.54 0.00 0.00 0.00 175.10 174.82 1s1q s LYS 6 N 1.58 2.68 0.57 2.72 1.02 -0.41 -2.25 119.74 125.64 1s1q s LYS 6 Ca 0.02 -0.69 0.08 0.00 0.02 0.00 0.00 55.97 55.39 1s1q s LYS 6 Cb -0.13 -2.43 0.08 0.00 -0.52 0.00 0.00 37.83 34.83 1s1q s LYS 6 CO -0.06 0.55 0.79 0.95 -0.92 0.00 0.00 175.35 176.66 1s1q s THR 7 N -0.53 2.28 0.20 2.17 -4.23 -1.26 -0.59 115.64 113.68 1s1q s THR 7 Ca 0.07 -0.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.55 1s1q s THR 7 Cb -0.12 -2.35 0.12 0.00 1.34 0.00 0.00 72.50 71.49 1s1q s THR 7 CO 0.01 0.00 1.78 -0.07 -0.54 0.00 0.00 174.62 175.80 1s1q h LEU 8 N 0.13 0.37 0.00 4.79 3.38 -2.00 -3.36 115.31 118.63 1s1q h LEU 8 Ca -0.33 0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 1s1q h LEU 8 Cb 1.28 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1s1q h LEU 8 CO 0.42 0.24 -1.72 0.41 0.09 0.00 0.00 178.44 177.88 1s1q n THR 9 N -4.89 0.72 -1.22 0.22 -1.04 -1.26 -5.07 114.28 101.73 1s1q n THR 9 Ca 0.07 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.42 1s1q n THR 9 Cb 0.20 -0.83 0.21 0.00 -1.82 0.00 0.00 70.33 68.09 1s1q n THR 9 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1s1q s GLY 10 N -4.67 1.59 0.62 3.41 0.00 -1.26 -5.00 107.32 102.01 1s1q s GLY 10 Ca -0.10 -0.77 -0.17 0.00 0.00 0.00 0.00 44.72 43.67 1s1q s GLY 10 CO 0.37 -0.00 1.17 0.54 0.00 0.00 0.00 173.10 175.18 1s1q s LYS 11 N -5.31 2.85 0.54 2.90 1.02 -1.26 -4.68 119.74 115.80 1s1q s LYS 11 Ca 0.69 1.68 -0.18 0.00 0.02 0.00 0.00 55.97 58.18 1s1q s LYS 11 Cb -0.12 -1.93 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 1s1q s LYS 11 CO 0.56 -1.26 1.05 0.99 -0.92 0.00 0.00 175.35 175.76 1s1q s THR 12 N -1.86 3.81 0.08 2.17 2.01 -1.26 -4.68 115.64 115.91 1s1q s THR 12 Ca 0.74 0.98 0.07 0.00 0.31 0.00 0.00 61.69 63.78 1s1q s THR 12 Cb -0.27 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1s1q s THR 12 CO 0.36 -0.39 -0.18 0.27 -0.69 0.00 0.00 174.62 173.99 1s1q s ILE 13 N -2.24 1.42 -0.09 1.82 -4.36 -0.96 -5.00 121.20 111.80 1s1q s ILE 13 Ca 0.65 -1.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 1s1q s ILE 13 Cb -0.16 -1.31 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 1s1q s ILE 13 CO 0.29 -0.11 -0.02 -0.89 0.24 0.00 0.00 174.94 174.45 1s1q s THR 14 N -1.16 4.10 0.04 8.37 2.01 -1.26 -1.33 115.64 126.40 1s1q s THR 14 Ca 0.03 -0.32 0.06 0.00 0.31 0.00 0.00 61.69 61.76 1s1q s THR 14 Cb -0.10 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1s1q s THR 14 CO 0.03 0.59 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.62 1s1q s LEU 15 N -0.72 2.16 -0.25 4.42 1.43 -0.40 -5.00 118.68 120.30 1s1q s LEU 15 Ca 0.11 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 1s1q s LEU 15 Cb -0.11 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1s1q s LEU 15 CO 0.02 0.10 0.28 -1.61 0.23 0.00 0.00 176.35 175.38 1s1q s GLU 16 N -1.08 4.04 0.29 1.70 0.41 -1.26 -1.71 118.70 121.08 1s1q s GLU 16 Ca 0.05 -0.10 0.02 0.00 -0.41 0.00 0.00 54.97 54.53 1s1q s GLU 16 Cb -0.08 -3.61 -0.04 0.00 -1.78 0.00 0.00 34.13 28.62 1s1q s GLU 16 CO 0.01 -0.14 0.13 0.14 -0.49 0.00 0.00 175.26 174.92 1s1q s VAL 17 N 1.64 0.42 0.14 2.63 -7.23 -1.26 -5.02 120.40 111.72 1s1q s VAL 17 Ca 0.12 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 1s1q s VAL 17 Cb -0.15 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1s1q s VAL 17 CO 0.09 0.00 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.10 1s1q s GLU 18 N -3.90 1.14 0.38 4.82 0.41 -1.26 -4.69 118.70 115.60 1s1q s GLU 18 Ca 0.36 -1.29 0.13 0.00 -0.41 0.00 0.00 54.97 53.76 1s1q s GLU 18 Cb 0.06 -1.16 0.96 0.00 -1.78 0.00 0.00 34.13 32.20 1s1q s GLU 18 CO 0.16 0.24 1.83 -1.35 -0.49 0.00 0.00 175.26 175.65 1s1q h PRO 19 N 3.50 0.53 0.00 0.39 0.11 -1.97 -1.30 132.00 133.26 1s1q h PRO 19 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1s1q h PRO 19 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s1q h PRO 19 CO 0.49 0.35 0.00 0.66 -0.21 0.00 0.00 178.00 179.29 1s1q h SER 20 N 0.54 0.00 -2.82 -2.05 4.64 -1.97 -1.20 113.55 110.69 1s1q h SER 20 Ca 0.50 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.28 1s1q h SER 20 Cb 1.06 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.22 1s1q h SER 20 CO -0.24 0.00 0.91 0.47 -0.87 0.00 0.00 176.83 177.10 1s1q n ASP 21 N -2.87 3.74 -4.78 4.97 8.00 -0.49 -4.78 116.55 120.34 1s1q n ASP 21 Ca -0.00 1.10 -0.30 0.00 0.71 0.00 0.00 54.79 56.30 1s1q n ASP 21 Cb 0.22 -1.55 0.10 0.00 -0.02 0.00 0.00 41.12 39.87 1s1q n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1s1q s THR 22 N 0.64 2.96 0.29 -3.53 -4.23 -1.26 -1.80 115.64 108.70 1s1q s THR 22 Ca 0.71 0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.51 1s1q s THR 22 Cb -0.53 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.54 1s1q s THR 22 CO 0.40 -0.41 1.90 0.40 -0.54 0.00 0.00 174.62 176.37 1s1q h ILE 23 N -1.22 1.22 -0.51 2.99 1.08 -1.21 -1.93 117.51 117.93 1s1q h ILE 23 Ca -0.48 -0.59 0.07 0.00 -0.39 0.00 0.00 64.86 63.48 1s1q h ILE 23 Cb 1.27 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 35.29 1s1q h ILE 23 CO 0.58 0.25 0.17 -0.08 -0.69 0.00 0.00 178.15 178.38 1s1q h GLU 24 N 0.96 0.33 -0.88 2.37 4.57 -1.66 -0.47 114.58 119.81 1s1q h GLU 24 Ca 0.24 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1s1q h GLU 24 Cb 0.08 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 1s1q h GLU 24 CO -0.03 0.22 0.58 -0.91 -1.18 0.00 0.00 179.01 177.69 1s1q h ASN 25 N 0.34 0.97 -0.38 1.04 -0.26 -1.69 0.08 115.58 115.68 1s1q h ASN 25 Ca 0.25 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.92 1s1q h ASN 25 Cb 0.27 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1s1q h ASN 25 CO -0.26 0.68 0.05 0.58 -1.06 0.00 0.00 177.43 177.42 1s1q h VAL 26 N 1.13 1.24 -0.54 2.81 2.07 -0.80 -1.38 116.25 120.79 1s1q h VAL 26 Ca 0.34 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1s1q h VAL 26 Cb -0.03 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1s1q h VAL 26 CO -0.09 0.30 0.30 0.11 0.02 0.00 0.00 177.57 178.20 1s1q h LYS 27 N 0.48 0.73 -0.09 1.57 1.57 -0.37 -0.80 116.57 119.66 1s1q h LYS 27 Ca 0.11 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1s1q h LYS 27 Cb 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1s1q h LYS 27 CO 0.01 0.54 -0.45 0.00 -0.57 0.00 0.00 179.45 178.98 1s1q h ALA 28 N 1.59 1.08 -0.15 3.86 0.00 -0.76 0.14 119.26 125.01 1s1q h ALA 28 Ca 0.19 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1s1q h ALA 28 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1s1q h ALA 28 CO -0.03 0.61 -0.58 0.87 0.00 0.00 0.00 179.25 180.12 1s1q h LYS 29 N 0.18 0.48 -0.46 0.00 1.57 -0.47 -1.90 116.57 115.97 1s1q h LYS 29 Ca 0.01 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 1s1q h LYS 29 Cb 0.86 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1s1q h LYS 29 CO 0.07 0.93 -0.09 0.82 -0.57 0.00 0.00 179.45 180.60 1s1q h ILE 30 N 0.37 1.27 -0.82 1.86 2.04 -0.81 -1.43 117.51 119.99 1s1q h ILE 30 Ca 0.00 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.69 1s1q h ILE 30 Cb 1.12 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.25 1s1q h ILE 30 CO 0.10 0.41 0.52 -0.61 0.00 0.00 0.00 178.15 178.58 1s1q h GLN 31 N 0.71 0.98 -0.09 2.37 4.15 -0.87 0.27 115.11 122.63 1s1q h GLN 31 Ca 0.12 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 1s1q h GLN 31 Cb 0.63 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1s1q h GLN 31 CO 0.04 0.65 -0.32 -0.44 -1.93 0.00 0.00 178.83 176.82 1s1q h ASP 32 N 1.00 0.17 0.80 -0.69 3.32 -1.15 0.37 116.42 120.24 1s1q h ASP 32 Ca 0.33 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 57.09 1s1q h ASP 32 Cb 0.04 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1s1q h ASP 32 CO -0.13 0.49 -1.28 0.11 -1.72 0.00 0.00 179.24 176.71 1s1q h LYS 33 N 0.15 0.00 0.00 3.56 1.57 -0.51 -3.42 116.57 117.92 1s1q h LYS 33 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1s1q h LYS 33 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1s1q h LYS 33 CO 0.05 0.79 -0.29 0.39 -0.57 0.00 0.00 179.45 179.82 1s1q n GLU 34 N -3.22 3.22 -0.15 3.15 -0.58 0.89 -5.04 120.64 118.91 1s1q n GLU 34 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1s1q n GLU 34 Cb 0.98 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 1s1q n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s1q n GLY 35 N 0.91 1.02 3.68 0.62 0.00 0.13 -5.01 105.19 106.54 1s1q n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s1q n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1q s ILE 36 N -2.55 4.11 0.37 -0.61 1.01 -1.26 -4.95 121.20 117.32 1s1q s ILE 36 Ca 0.00 1.44 -0.27 0.00 0.00 0.00 0.00 60.65 61.81 1s1q s ILE 36 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 1s1q s ILE 36 CO 0.00 -0.02 1.31 -2.16 0.00 0.00 0.00 174.94 174.07 1s1q s PRO 37 N 2.45 4.15 0.33 2.79 0.04 -1.26 -3.89 135.00 139.62 1s1q s PRO 37 Ca 0.58 2.19 0.09 0.00 0.04 0.00 0.00 61.00 63.90 1s1q s PRO 37 Cb -0.26 -2.90 0.84 0.00 0.04 0.00 0.00 34.50 32.22 1s1q s PRO 37 CO 0.22 -0.35 1.79 -1.35 0.04 0.00 0.00 177.00 177.35 1s1q h PRO 38 N 3.00 0.64 0.00 0.56 0.11 -1.95 -1.38 132.00 132.98 1s1q h PRO 38 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1s1q h PRO 38 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1s1q h PRO 38 CO 0.64 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.45 1s1q n ASP 39 N -4.71 0.00 -0.84 -2.05 5.68 -1.26 -1.60 116.55 111.76 1s1q n ASP 39 Ca 0.23 0.46 0.11 0.00 -0.50 0.00 0.00 54.79 55.09 1s1q n ASP 39 Cb 0.63 -0.48 0.29 0.00 -1.14 0.00 0.00 41.12 40.42 1s1q n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s1q n GLN 40 N -1.48 2.11 -4.41 0.11 6.02 -0.52 -4.89 117.38 114.32 1s1q n GLN 40 Ca 0.04 -1.67 -0.34 0.00 -0.01 0.00 0.00 57.00 55.02 1s1q n GLN 40 Cb 0.19 -1.45 -0.11 0.00 1.02 0.00 0.00 30.24 29.89 1s1q n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1s1q s GLN 41 N -1.69 3.32 -0.11 -1.09 -0.21 -0.63 -1.07 119.66 118.19 1s1q s GLN 41 Ca 0.35 -0.48 0.04 0.00 0.02 0.00 0.00 55.36 55.28 1s1q s GLN 41 Cb 0.20 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 31.37 1s1q s GLN 41 CO 0.29 0.46 -0.23 1.03 -2.12 0.00 0.00 175.29 174.71 1s1q s ARG 42 N -0.22 3.06 -0.09 2.91 0.52 -0.35 -4.95 118.95 119.82 1s1q s ARG 42 Ca 0.04 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1s1q s ARG 42 Cb -0.13 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 1s1q s ARG 42 CO 0.02 0.15 -0.09 -0.51 0.02 0.00 0.00 175.30 174.89 1s1q s LEU 43 N 0.43 3.03 -0.02 2.53 1.43 -1.26 -1.56 118.68 123.25 1s1q s LEU 43 Ca -0.17 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1s1q s LEU 43 Cb -0.17 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 1s1q s LEU 43 CO 0.07 0.28 -0.12 -0.63 0.23 0.00 0.00 176.35 176.19 1s1q s ILE 44 N -0.34 0.97 -0.09 -0.59 1.01 0.39 -1.04 121.20 121.51 1s1q s ILE 44 Ca 0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1s1q s ILE 44 Cb -0.12 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.56 1s1q s ILE 44 CO 0.02 0.29 0.17 0.12 0.00 0.00 0.00 174.94 175.54 1s1q s PHE 45 N 0.01 -0.19 -1.62 3.97 5.36 0.15 -0.34 117.98 125.32 1s1q s PHE 45 Ca -0.01 0.60 -0.14 0.00 -0.96 0.00 0.00 56.93 56.43 1s1q s PHE 45 Cb -0.08 -0.26 0.12 0.00 -0.34 0.00 0.00 43.02 42.46 1s1q s PHE 45 CO 0.00 -0.30 0.72 0.00 -1.46 0.00 0.00 175.22 174.18 1s1q n ALA 46 N 5.33 -1.44 0.00 11.12 0.00 -1.26 -1.22 120.51 133.03 1s1q n ALA 46 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1s1q n ALA 46 Cb 0.50 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.83 1s1q n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1q n GLY 47 N -1.57 0.28 3.28 0.00 0.00 -1.26 -5.07 105.19 100.86 1s1q n GLY 47 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1s1q n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1q s LYS 48 N -0.97 2.71 -0.25 1.61 2.20 -0.36 -5.09 119.74 119.59 1s1q s LYS 48 Ca 0.00 -0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 54.45 1s1q s LYS 48 Cb 0.00 -2.24 0.01 0.00 -1.51 0.00 0.00 37.83 34.08 1s1q s LYS 48 CO 0.00 0.35 1.12 -1.14 -0.36 0.00 0.00 175.35 175.31 1s1q s GLN 49 N -0.07 4.16 0.35 4.03 0.74 -1.26 -0.67 119.66 126.94 1s1q s GLN 49 Ca -0.06 1.32 -0.26 0.00 0.05 0.00 0.00 55.36 56.41 1s1q s GLN 49 Cb -0.14 -3.71 -0.09 0.00 1.10 0.00 0.00 33.01 30.16 1s1q s GLN 49 CO 0.05 -0.77 1.05 -0.51 -0.55 0.00 0.00 175.29 174.56 1s1q s LEU 50 N 3.50 4.31 -0.14 3.68 1.43 -0.20 -5.01 118.68 126.25 1s1q s LEU 50 Ca 0.48 2.09 -0.05 0.00 -1.03 0.00 0.00 54.13 55.62 1s1q s LEU 50 Cb -0.15 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 1s1q s LEU 50 CO 0.12 -0.32 0.03 -1.61 0.23 0.00 0.00 176.35 174.79 1s1q s GLU 51 N -2.07 3.58 0.29 1.70 2.02 -1.26 -4.66 118.70 118.30 1s1q s GLU 51 Ca 0.52 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 55.16 1s1q s GLU 51 Cb -0.25 -3.03 0.72 0.00 0.10 0.00 0.00 34.13 31.67 1s1q s GLU 51 CO 0.32 0.43 1.68 -0.44 0.02 0.00 0.00 175.26 177.28 1s1q h ASP 52 N 6.11 0.25 0.77 -0.19 3.32 -1.95 -1.94 116.42 122.78 1s1q h ASP 52 Ca -0.41 0.16 -0.16 0.00 0.02 0.00 0.00 57.03 56.64 1s1q h ASP 52 Cb 1.18 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1s1q h ASP 52 CO 0.63 -0.04 -0.76 1.23 -1.72 0.00 0.00 179.24 178.59 1s1q h GLY 53 N 0.35 0.00 -1.06 2.75 0.00 -1.96 -2.13 103.07 101.01 1s1q h GLY 53 Ca 0.56 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.40 1s1q h GLY 53 CO -0.56 0.00 0.29 0.50 0.00 0.00 0.00 176.54 176.77 1s1q s ARG 54 N -3.27 1.59 0.36 4.80 0.52 -0.73 -4.78 118.95 117.44 1s1q s ARG 54 Ca -0.00 0.72 0.08 0.00 -0.52 0.00 0.00 55.73 56.01 1s1q s ARG 54 Cb 0.12 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 1s1q s ARG 54 CO 0.78 -1.98 0.31 0.95 0.02 0.00 0.00 175.30 175.38 1s1q s THR 55 N -3.04 3.26 0.20 0.02 -4.23 -1.26 -1.50 115.64 109.09 1s1q s THR 55 Ca 0.62 -1.38 -0.10 0.00 -1.18 0.00 0.00 61.69 59.65 1s1q s THR 55 Cb -0.16 -3.12 0.13 0.00 1.34 0.00 0.00 72.50 70.68 1s1q s THR 55 CO 0.56 -0.13 1.80 -0.07 -0.54 0.00 0.00 174.62 176.24 1s1q h LEU 56 N 1.20 0.51 -0.74 4.79 3.38 -1.28 -2.30 115.31 120.87 1s1q h LEU 56 Ca -0.44 0.03 0.13 0.00 0.09 0.00 0.00 57.88 57.69 1s1q h LEU 56 Cb 1.26 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 1s1q h LEU 56 CO 0.58 0.33 0.30 -1.28 0.09 0.00 0.00 178.44 178.47 1s1q h SER 57 N 0.64 0.30 -0.02 -0.43 0.87 -1.49 -2.00 113.55 111.42 1s1q h SER 57 Ca 0.28 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1s1q h SER 57 Cb 0.16 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1s1q h SER 57 CO -0.17 0.13 0.02 0.44 -0.53 0.00 0.00 176.83 176.71 1s1q h ASP 58 N 0.46 0.00 -0.03 6.23 3.32 -1.70 -1.16 116.42 123.54 1s1q h ASP 58 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1s1q h ASP 58 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1s1q h ASP 58 CO -0.38 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.92 1s1q n TYR 59 N -4.03 0.00 -3.84 4.55 4.01 -0.81 -4.97 117.16 112.08 1s1q n TYR 59 Ca -0.03 -0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 1s1q n TYR 59 Cb 0.10 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1s1q n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1s1q n ASN 60 N 1.24 -4.67 -4.66 7.72 3.02 -0.44 -4.93 115.26 112.54 1s1q n ASN 60 Ca 0.14 -0.73 -0.43 0.00 -0.03 0.00 0.00 54.58 53.54 1s1q n ASN 60 Cb 0.58 -3.75 -0.02 0.00 -0.61 0.00 0.00 39.78 35.98 1s1q n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1s1q s ILE 61 N -3.25 4.38 0.54 2.41 1.01 -0.91 -5.01 121.20 120.38 1s1q s ILE 61 Ca 0.63 1.66 0.08 0.00 0.00 0.00 0.00 60.65 63.02 1s1q s ILE 61 Cb -0.32 -4.11 0.06 0.00 0.01 0.00 0.00 42.46 38.10 1s1q s ILE 61 CO 0.78 -0.19 0.63 -1.10 0.00 0.00 0.00 174.94 175.06 1s1q s GLN 62 N 3.49 2.36 0.49 2.79 -0.21 -1.26 -4.72 119.66 122.61 1s1q s GLN 62 Ca 0.52 -1.70 -0.22 0.00 0.02 0.00 0.00 55.36 53.98 1s1q s GLN 62 Cb -0.19 -2.49 -0.06 0.00 1.00 0.00 0.00 33.01 31.27 1s1q s GLN 62 CO 0.13 -0.68 1.23 -1.59 -2.12 0.00 0.00 175.29 172.25 1s1q s LYS 63 N -4.49 3.54 0.00 2.91 -2.85 -1.26 -2.20 119.74 115.39 1s1q s LYS 63 Ca 0.53 1.92 0.00 0.00 -1.00 0.00 0.00 55.97 57.42 1s1q s LYS 63 Cb -0.05 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 1s1q s LYS 63 CO 0.33 -0.77 0.00 0.39 0.10 0.00 0.00 175.35 175.39 1s1q n GLU 64 N -0.69 -0.74 -1.51 1.78 -0.58 0.63 -5.00 120.64 114.53 1s1q n GLU 64 Ca 0.08 0.18 -0.35 0.00 -0.42 0.00 0.00 57.16 56.66 1s1q n GLU 64 Cb 0.47 -3.84 0.09 0.00 -0.57 0.00 0.00 31.44 27.58 1s1q n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1s1q s SER 65 N -2.12 4.29 -0.20 1.62 0.01 -0.93 -4.66 113.70 111.71 1s1q s SER 65 Ca 0.00 2.42 -0.04 0.00 1.31 0.00 0.00 55.95 59.64 1s1q s SER 65 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1s1q s SER 65 CO 0.00 -2.20 -0.03 -0.89 0.41 0.00 0.00 173.24 170.53 1s1q s THR 66 N -1.84 3.61 0.10 1.44 2.01 -1.26 -0.70 115.64 119.00 1s1q s THR 66 Ca 0.76 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 1s1q s THR 66 Cb -0.31 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1s1q s THR 66 CO 0.44 0.43 0.35 -0.76 -0.69 0.00 0.00 174.62 174.39 1s1q s LEU 67 N 1.16 4.31 -0.14 4.42 1.43 0.14 -4.82 118.68 125.17 1s1q s LEU 67 Ca 0.02 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 1s1q s LEU 67 Cb -0.15 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1s1q s LEU 67 CO -0.00 0.12 -0.02 -1.00 0.23 0.00 0.00 176.35 175.68 1s1q s HIS 68 N -1.53 3.07 -0.19 0.29 3.76 0.54 -1.29 115.29 119.94 1s1q s HIS 68 Ca 0.36 -0.13 -0.06 0.00 -0.15 0.00 0.00 55.06 55.09 1s1q s HIS 68 Cb -0.13 -1.92 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 1s1q s HIS 68 CO 0.22 0.11 0.02 -1.17 -0.85 0.00 0.00 174.74 173.07 1s1q s LEU 69 N 0.04 3.40 0.01 0.89 2.96 0.24 -0.46 118.68 125.76 1s1q s LEU 69 Ca 0.01 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1s1q s LEU 69 Cb -0.13 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1s1q s LEU 69 CO 0.02 0.09 -0.19 0.68 -1.32 0.00 0.00 176.35 175.64 1s1q s VAL 70 N 0.83 1.48 -0.11 1.68 -7.23 -0.60 -4.41 120.40 112.03 1s1q s VAL 70 Ca 0.01 -0.91 -0.07 0.00 -1.81 0.00 0.00 61.98 59.19 1s1q s VAL 70 Cb -0.14 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 1s1q s VAL 70 CO 0.02 0.32 0.16 -0.76 -0.31 0.00 0.00 175.10 174.53 1s1q s LEU 71 N -0.70 4.39 0.00 1.32 1.43 -1.26 -1.21 118.68 122.65 1s1q s LEU 71 Ca 0.07 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1s1q s LEU 71 Cb -0.08 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1s1q s LEU 71 CO 0.00 0.40 0.29 -1.14 0.23 0.00 0.00 176.35 176.13