#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1q s GLN 2 N 0.00 3.16 0.24 2.12 0.74 -1.26 0.16 119.66 124.82 3a1q s GLN 2 Ca 0.00 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.89 3a1q s GLN 2 Cb 0.00 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 3a1q s GLN 2 CO 0.00 0.48 0.13 0.96 -0.55 0.00 0.00 175.29 176.31 3a1q s ILE 3 N -0.30 0.22 0.14 -2.34 -4.36 -0.21 0.94 121.20 115.28 3a1q s ILE 3 Ca 0.05 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.51 3a1q s ILE 3 Cb -0.13 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 3a1q s ILE 3 CO 0.02 0.00 -0.15 -0.36 0.24 0.00 0.00 174.94 174.69 3a1q s PHE 4 N -3.92 1.57 -0.22 1.37 0.08 -0.46 -0.86 117.98 115.53 3a1q s PHE 4 Ca 0.38 -0.53 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 3a1q s PHE 4 Cb 0.07 -0.80 0.07 0.00 -0.57 0.00 0.00 43.02 41.79 3a1q s PHE 4 CO 0.14 0.22 0.02 0.08 -0.10 0.00 0.00 175.22 175.58 3a1q s VAL 5 N -2.19 0.82 0.03 -0.44 1.01 0.47 -0.13 120.40 119.97 3a1q s VAL 5 Ca 0.12 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 3a1q s VAL 5 Cb -0.05 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 3a1q s VAL 5 CO 0.04 -0.26 0.77 -0.75 0.00 0.00 0.00 175.10 174.90 3a1q s LYS 6 N 1.71 4.49 0.48 2.72 2.20 0.46 -1.26 119.74 130.55 3a1q s LYS 6 Ca -0.01 1.06 0.08 0.00 -0.36 0.00 0.00 55.97 56.74 3a1q s LYS 6 Cb -0.18 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 3a1q s LYS 6 CO -0.10 0.25 0.49 0.95 -0.36 0.00 0.00 175.35 176.58 3a1q s THR 7 N 0.06 2.34 0.31 3.43 -4.23 -0.74 -1.50 115.64 115.31 3a1q s THR 7 Ca 0.39 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3a1q s THR 7 Cb -0.20 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.30 3a1q s THR 7 CO 0.23 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 176.19 3a1q h LEU 8 N 0.74 0.87 -0.07 4.79 3.38 -1.87 -1.94 115.31 121.21 3a1q h LEU 8 Ca -0.38 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3a1q h LEU 8 Cb 1.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3a1q h LEU 8 CO 0.52 0.60 0.00 0.35 0.09 0.00 0.00 178.44 180.01 3a1q n THR 9 N -4.45 0.62 0.00 0.22 -2.24 -1.26 -4.84 114.28 102.33 3a1q n THR 9 Ca 0.11 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 3a1q n THR 9 Cb 0.11 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 3a1q n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1q n GLY 10 N 0.59 0.62 3.71 3.38 0.00 -0.73 -5.05 105.19 107.71 3a1q n GLY 10 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3a1q n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a1q s LYS 11 N -0.86 4.23 -0.15 1.61 2.36 -1.26 -4.74 119.74 120.93 3a1q s LYS 11 Ca 0.00 2.29 -0.04 0.00 -2.55 0.00 0.00 55.97 55.67 3a1q s LYS 11 Cb 0.00 -3.31 -0.03 0.00 -1.05 0.00 0.00 37.83 33.44 3a1q s LYS 11 CO 0.00 -0.61 -0.02 0.99 1.55 0.00 0.00 175.35 177.26 3a1q s THR 12 N 1.61 4.07 -0.11 3.43 2.01 -1.26 -1.80 115.64 123.59 3a1q s THR 12 Ca 0.70 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 3a1q s THR 12 Cb -0.41 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3a1q s THR 12 CO 0.31 0.50 0.09 -0.63 -0.69 0.00 0.00 174.62 174.20 3a1q s ILE 13 N 0.22 5.08 -0.11 1.82 1.01 -0.39 -4.93 121.20 123.91 3a1q s ILE 13 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 3a1q s ILE 13 Cb -0.14 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 3a1q s ILE 13 CO 0.02 0.61 -0.09 0.42 0.00 0.00 0.00 174.94 175.90 3a1q s THR 14 N -0.90 3.49 0.04 2.92 -4.23 -1.26 -0.40 115.64 115.30 3a1q s THR 14 Ca 0.14 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 3a1q s THR 14 Cb -0.12 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 3a1q s THR 14 CO 0.03 0.55 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.72 3a1q s LEU 15 N -0.15 2.17 -0.32 4.79 1.43 -0.04 -4.99 118.68 121.57 3a1q s LEU 15 Ca 0.01 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 3a1q s LEU 15 Cb -0.13 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 3a1q s LEU 15 CO 0.03 0.11 0.19 -1.61 0.23 0.00 0.00 176.35 175.30 3a1q s GLU 16 N -1.19 3.40 0.39 1.70 0.41 -1.26 -1.05 118.70 121.11 3a1q s GLU 16 Ca 0.05 -0.69 0.05 0.00 -0.41 0.00 0.00 54.97 53.97 3a1q s GLU 16 Cb -0.08 -3.67 -0.02 0.00 -1.78 0.00 0.00 34.13 28.58 3a1q s GLU 16 CO 0.02 -0.43 0.19 0.14 -0.49 0.00 0.00 175.26 174.69 3a1q s VAL 17 N 1.66 0.34 0.03 2.63 -7.23 0.42 -4.86 120.40 113.38 3a1q s VAL 17 Ca 0.05 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 3a1q s VAL 17 Cb -0.17 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 3a1q s VAL 17 CO 0.08 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 173.04 3a1q s GLU 18 N -3.59 1.54 0.39 4.82 0.41 -1.26 0.50 118.70 121.51 3a1q s GLU 18 Ca 0.29 -0.91 0.20 0.00 -0.41 0.00 0.00 54.97 54.14 3a1q s GLU 18 Cb 0.02 -1.61 1.09 0.00 -1.78 0.00 0.00 34.13 31.85 3a1q s GLU 18 CO 0.19 0.42 1.56 -1.35 -0.49 0.00 0.00 175.26 175.59 3a1q h PRO 19 N 5.08 0.00 -0.01 0.39 0.11 -1.97 0.30 132.00 135.89 3a1q h PRO 19 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3a1q h PRO 19 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a1q h PRO 19 CO 0.45 0.00 -0.25 -1.13 -0.21 0.00 0.00 178.00 176.86 3a1q n SER 20 N -2.30 1.56 -4.77 -2.05 3.41 -1.26 -1.73 113.62 106.48 3a1q n SER 20 Ca -0.01 -1.26 -0.40 0.00 -0.26 0.00 0.00 58.87 56.93 3a1q n SER 20 Cb 0.23 0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 3a1q n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3a1q s ASP 21 N -2.37 6.77 0.52 4.04 1.01 0.10 -4.80 116.67 121.95 3a1q s ASP 21 Ca 0.25 2.57 -0.04 0.00 0.71 0.00 0.00 52.55 56.04 3a1q s ASP 21 Cb 0.19 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 3a1q s ASP 21 CO 0.48 -0.52 0.80 0.42 0.21 0.00 0.00 175.17 176.56 3a1q s THR 22 N -1.19 4.01 0.30 -1.27 -4.23 -1.26 -1.54 115.64 110.46 3a1q s THR 22 Ca 0.50 -0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.87 3a1q s THR 22 Cb -0.37 -3.54 0.20 0.00 1.34 0.00 0.00 72.50 70.13 3a1q s THR 22 CO 0.49 -0.49 1.89 0.40 -0.54 0.00 0.00 174.62 176.37 3a1q h ILE 23 N 0.10 1.21 -0.10 2.99 1.08 -0.98 -0.80 117.51 121.01 3a1q h ILE 23 Ca -0.46 -0.62 -0.05 0.00 -0.39 0.00 0.00 64.86 63.34 3a1q h ILE 23 Cb 1.25 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 3a1q h ILE 23 CO 0.60 0.25 -0.16 1.05 -0.69 0.00 0.00 178.15 179.20 3a1q h GLU 24 N 0.88 0.16 -0.29 2.37 4.11 -1.70 0.11 114.58 120.22 3a1q h GLU 24 Ca 0.21 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.56 3a1q h GLU 24 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3a1q h GLU 24 CO -0.02 0.32 0.00 -0.91 0.07 0.00 0.00 179.01 178.47 3a1q h ASN 25 N 0.15 0.50 -0.75 3.06 -0.26 -1.47 -0.23 115.58 116.58 3a1q h ASN 25 Ca 0.03 -0.31 -0.03 0.00 -0.56 0.00 0.00 56.30 55.44 3a1q h ASN 25 Cb 0.38 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 3a1q h ASN 25 CO 0.02 0.68 0.37 0.58 -1.06 0.00 0.00 177.43 178.03 3a1q h VAL 26 N 0.30 1.24 0.00 2.81 2.07 -0.47 0.26 116.25 122.45 3a1q h VAL 26 Ca 0.08 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 3a1q h VAL 26 Cb 0.43 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3a1q h VAL 26 CO 0.01 0.29 -0.43 0.11 0.02 0.00 0.00 177.57 177.57 3a1q h LYS 27 N 1.09 0.00 -0.44 1.57 1.57 -0.57 -0.83 116.57 118.95 3a1q h LYS 27 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 3a1q h LYS 27 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3a1q h LYS 27 CO -0.03 0.43 -0.08 0.00 -0.57 0.00 0.00 179.45 179.19 3a1q h ALA 28 N 1.57 0.60 -0.35 3.86 0.00 0.29 -1.10 119.26 124.13 3a1q h ALA 28 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3a1q h ALA 28 Cb 0.81 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3a1q h ALA 28 CO 0.06 0.47 -0.00 0.87 0.00 0.00 0.00 179.25 180.65 3a1q h LYS 29 N 0.67 0.63 -0.59 0.00 1.57 -0.56 -1.31 116.57 116.98 3a1q h LYS 29 Ca 0.11 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3a1q h LYS 29 Cb 0.61 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3a1q h LYS 29 CO 0.04 0.74 0.23 0.82 -0.57 0.00 0.00 179.45 180.71 3a1q h ILE 30 N 0.44 1.21 -0.36 1.86 2.04 -1.07 -1.17 117.51 120.46 3a1q h ILE 30 Ca 0.10 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 3a1q h ILE 30 Cb 0.46 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3a1q h ILE 30 CO 0.02 0.26 -0.02 -0.61 0.00 0.00 0.00 178.15 177.80 3a1q h GLN 31 N 0.84 0.65 0.00 2.37 4.15 -0.99 0.43 115.11 122.56 3a1q h GLN 31 Ca 0.20 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 3a1q h GLN 31 Cb 0.17 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3a1q h GLN 31 CO -0.02 0.77 -0.17 0.22 -1.93 0.00 0.00 178.83 177.70 3a1q h ASP 32 N 0.45 0.00 0.10 -0.69 3.58 -0.81 0.75 116.42 119.80 3a1q h ASP 32 Ca 0.10 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.18 3a1q h ASP 32 Cb 0.50 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 3a1q h ASP 32 CO 0.02 0.17 -2.19 1.17 -2.88 0.00 0.00 179.24 175.54 3a1q n LYS 33 N -4.19 0.70 -0.00 0.28 4.81 -0.48 -4.60 118.16 114.68 3a1q n LYS 33 Ca -0.02 0.20 0.06 0.00 -0.87 0.00 0.00 58.31 57.68 3a1q n LYS 33 Cb 0.24 -1.63 -0.08 0.00 0.02 0.00 0.00 35.03 33.59 3a1q n LYS 33 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3a1q n GLU 34 N -3.31 2.52 -1.06 1.64 -0.58 0.15 -5.00 120.64 115.00 3a1q n GLU 34 Ca -0.36 -0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.36 3a1q n GLU 34 Cb 1.03 -1.14 -0.01 0.00 -0.57 0.00 0.00 31.44 30.76 3a1q n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a1q n GLY 35 N 1.32 0.54 3.65 0.62 0.00 0.26 -4.99 105.19 106.60 3a1q n GLY 35 Ca 0.02 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 3a1q n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1q s ILE 36 N -1.97 5.19 0.37 -0.61 1.01 -1.25 -5.00 121.20 118.94 3a1q s ILE 36 Ca 0.00 0.67 -0.28 0.00 0.00 0.00 0.00 60.65 61.03 3a1q s ILE 36 Cb 0.00 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.64 3a1q s ILE 36 CO 0.00 0.22 1.51 -2.65 0.00 0.00 0.00 174.94 174.03 3a1q n PRO 37 N 4.72 2.71 0.17 2.79 -0.02 -1.26 -3.95 135.00 140.16 3a1q n PRO 37 Ca -0.08 0.95 0.18 0.00 -2.02 0.00 0.00 63.50 62.53 3a1q n PRO 37 Cb 0.51 -2.70 0.80 0.00 -0.02 0.00 0.00 33.50 32.09 3a1q n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3a1q h PRO 38 N 3.23 0.00 0.00 0.52 0.11 -1.95 -0.55 132.00 133.36 3a1q h PRO 38 Ca -0.50 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3a1q h PRO 38 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3a1q h PRO 38 CO 0.66 0.00 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.82 3a1q h ASP 39 N 0.00 0.00 -0.02 -2.05 5.19 -1.98 -2.64 116.42 114.92 3a1q h ASP 39 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3a1q h ASP 39 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 3a1q h ASP 39 CO -0.00 0.19 -0.05 0.00 -3.12 0.00 0.00 179.24 176.26 3a1q n GLN 40 N -4.28 2.01 -3.59 3.56 6.02 -0.22 -4.75 117.38 116.14 3a1q n GLN 40 Ca -0.02 -1.55 -0.36 0.00 -0.01 0.00 0.00 57.00 55.05 3a1q n GLN 40 Cb 0.25 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 3a1q n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3a1q s GLN 41 N -2.06 4.17 -0.19 -1.09 -0.21 -1.00 -0.56 119.66 118.72 3a1q s GLN 41 Ca 0.30 -0.06 -0.01 0.00 0.02 0.00 0.00 55.36 55.61 3a1q s GLN 41 Cb 0.20 -3.48 0.01 0.00 1.00 0.00 0.00 33.01 30.74 3a1q s GLN 41 CO 0.34 0.14 -0.14 1.03 -2.12 0.00 0.00 175.29 174.54 3a1q s ARG 42 N 0.80 3.13 -0.19 2.91 0.52 -0.00 -4.94 118.95 121.18 3a1q s ARG 42 Ca 0.12 -0.76 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 3a1q s ARG 42 Cb -0.13 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 3a1q s ARG 42 CO 0.04 -0.20 -0.00 -0.51 0.02 0.00 0.00 175.30 174.65 3a1q s LEU 43 N 1.34 3.30 -0.03 2.53 1.43 -1.26 -1.49 118.68 124.49 3a1q s LEU 43 Ca 0.05 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3a1q s LEU 43 Cb -0.14 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3a1q s LEU 43 CO -0.09 0.09 -0.16 -0.63 0.23 0.00 0.00 176.35 175.78 3a1q s ILE 44 N 0.85 2.88 -0.22 -0.59 1.09 0.42 0.69 121.20 126.33 3a1q s ILE 44 Ca 0.01 -0.85 -0.16 0.00 -1.10 0.00 0.00 60.65 58.55 3a1q s ILE 44 Cb -0.14 -2.12 0.06 0.00 -1.06 0.00 0.00 42.46 39.20 3a1q s ILE 44 CO 0.02 0.55 0.56 0.12 -0.10 0.00 0.00 174.94 176.09 3a1q s PHE 45 N -0.74 -0.72 -1.38 3.97 5.36 -0.33 -0.83 117.98 123.31 3a1q s PHE 45 Ca 0.12 1.60 -0.04 0.00 -0.96 0.00 0.00 56.93 57.65 3a1q s PHE 45 Cb -0.10 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 42.92 3a1q s PHE 45 CO 0.01 -0.36 0.71 0.00 -1.46 0.00 0.00 175.22 174.12 3a1q n ALA 46 N 3.47 -1.84 -1.18 11.12 0.00 -1.26 -2.73 120.51 128.09 3a1q n ALA 46 Ca -0.17 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 3a1q n ALA 46 Cb 0.57 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 3a1q n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1q n GLY 47 N -1.67 0.84 3.40 0.00 0.00 -1.26 -5.01 105.19 101.49 3a1q n GLY 47 Ca -0.22 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 3a1q n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a1q s LYS 48 N -2.31 1.20 0.17 1.61 -2.85 -1.11 -5.15 119.74 111.31 3a1q s LYS 48 Ca 0.00 -0.71 -0.25 0.00 -1.00 0.00 0.00 55.97 54.02 3a1q s LYS 48 Cb 0.00 0.51 -0.08 0.00 -2.06 0.00 0.00 37.83 36.20 3a1q s LYS 48 CO 0.00 -0.50 0.76 -1.14 0.10 0.00 0.00 175.35 174.58 3a1q s GLN 49 N -3.81 4.52 0.18 1.78 0.74 -1.26 -1.18 119.66 120.63 3a1q s GLN 49 Ca 0.04 1.12 -0.15 0.00 0.05 0.00 0.00 55.36 56.42 3a1q s GLN 49 Cb 0.00 -3.22 -0.07 0.00 1.10 0.00 0.00 33.01 30.82 3a1q s GLN 49 CO -0.09 0.56 0.60 -0.51 -0.55 0.00 0.00 175.29 175.29 3a1q s LEU 50 N -1.23 4.30 -0.10 3.68 1.43 0.22 -4.93 118.68 122.05 3a1q s LEU 50 Ca 0.36 1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 3a1q s LEU 50 Cb -0.22 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 3a1q s LEU 50 CO 0.25 0.05 0.27 -1.61 0.23 0.00 0.00 176.35 175.54 3a1q s GLU 51 N -2.14 3.89 0.30 1.70 2.02 -1.26 -4.68 118.70 118.53 3a1q s GLU 51 Ca 0.41 0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.55 3a1q s GLU 51 Cb -0.14 -3.29 0.77 0.00 0.10 0.00 0.00 34.13 31.57 3a1q s GLU 51 CO 0.20 0.55 1.65 -0.44 0.02 0.00 0.00 175.26 177.24 3a1q h ASP 52 N 5.54 0.10 0.00 -0.19 3.45 -1.98 -2.47 116.42 120.88 3a1q h ASP 52 Ca -0.49 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.17 3a1q h ASP 52 Cb 1.20 0.24 0.00 0.00 -0.56 0.00 0.00 39.33 40.21 3a1q h ASP 52 CO 0.66 -0.14 0.00 0.61 -1.57 0.00 0.00 179.24 178.80 3a1q n GLY 53 N -1.36 -0.82 3.82 2.75 0.00 -1.26 -2.06 105.19 106.25 3a1q n GLY 53 Ca 0.23 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3a1q n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1q s ARG 54 N -2.00 2.72 0.51 1.61 3.00 -0.93 -4.92 118.95 118.94 3a1q s ARG 54 Ca 0.34 -1.26 0.04 0.00 0.00 0.00 0.00 55.73 54.84 3a1q s ARG 54 Cb 0.15 -2.45 0.03 0.00 0.00 0.00 0.00 34.95 32.68 3a1q s ARG 54 CO 0.26 0.20 0.70 0.95 0.00 0.00 0.00 175.30 177.41 3a1q s THR 55 N -2.27 2.78 0.35 0.02 -4.23 -1.26 -1.08 115.64 109.95 3a1q s THR 55 Ca 0.38 -0.78 0.11 0.00 -1.18 0.00 0.00 61.69 60.21 3a1q s THR 55 Cb -0.06 -3.00 0.08 0.00 1.34 0.00 0.00 72.50 70.87 3a1q s THR 55 CO 0.25 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 176.06 3a1q h LEU 56 N 0.27 0.10 -0.96 4.79 3.38 -1.28 -2.50 115.31 119.11 3a1q h LEU 56 Ca -0.41 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3a1q h LEU 56 Cb 1.29 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3a1q h LEU 56 CO 0.50 0.45 0.14 0.28 0.09 0.00 0.00 178.44 179.90 3a1q h SER 57 N 0.09 0.84 0.56 -0.43 0.02 -1.60 -0.14 113.55 112.88 3a1q h SER 57 Ca 0.01 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 3a1q h SER 57 Cb 0.67 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 3a1q h SER 57 CO 0.05 0.82 -0.08 0.44 -1.14 0.00 0.00 176.83 176.92 3a1q h ASP 58 N 0.86 0.00 -0.39 3.07 3.32 -1.73 -1.97 116.42 119.58 3a1q h ASP 58 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3a1q h ASP 58 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3a1q h ASP 58 CO -0.00 0.08 0.00 -1.22 -1.72 0.00 0.00 179.24 176.37 3a1q n TYR 59 N -3.34 0.51 -3.83 4.55 4.01 -0.88 -4.96 117.16 113.21 3a1q n TYR 59 Ca -0.01 -0.37 -0.29 0.00 -0.16 0.00 0.00 57.90 57.06 3a1q n TYR 59 Cb 0.25 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.29 3a1q n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3a1q n ASN 60 N 0.98 -4.79 -4.55 7.72 2.85 -0.73 -4.90 115.26 111.85 3a1q n ASN 60 Ca 0.15 -0.72 -0.43 0.00 -0.11 0.00 0.00 54.58 53.47 3a1q n ASN 60 Cb 0.48 -3.84 -0.04 0.00 1.24 0.00 0.00 39.78 37.63 3a1q n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3a1q s ILE 61 N -3.26 4.39 0.51 -1.44 1.01 -0.14 -5.01 121.20 117.26 3a1q s ILE 61 Ca 0.63 0.62 0.03 0.00 0.00 0.00 0.00 60.65 61.93 3a1q s ILE 61 Cb -0.32 -4.51 0.10 0.00 0.01 0.00 0.00 42.46 37.74 3a1q s ILE 61 CO 0.78 -0.99 0.70 0.00 0.00 0.00 0.00 174.94 175.43 3a1q n GLN 62 N 7.42 0.34 -1.74 2.79 1.13 -1.26 -4.66 117.38 121.40 3a1q n GLN 62 Ca 0.05 -2.24 -0.40 0.00 -1.94 0.00 0.00 57.00 52.47 3a1q n GLN 62 Cb 0.48 -0.37 0.02 0.00 0.11 0.00 0.00 30.24 30.48 3a1q n GLN 62 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3a1q n LYS 63 N -2.22 2.13 -0.70 -1.09 2.85 -1.26 -1.80 118.16 116.06 3a1q n LYS 63 Ca 0.13 0.76 0.00 0.00 -1.05 0.00 0.00 58.31 58.14 3a1q n LYS 63 Cb 0.46 -2.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.31 3a1q n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3a1q n GLU 64 N -0.09 0.00 -1.74 -1.58 4.71 0.27 -4.98 120.64 117.23 3a1q n GLU 64 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.83 3a1q n GLU 64 Cb 0.41 -3.41 0.05 0.00 -1.01 0.00 0.00 31.44 27.48 3a1q n GLU 64 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3a1q n SER 65 N 0.00 2.52 -4.38 1.62 7.64 -0.75 -4.68 113.62 115.59 3a1q n SER 65 Ca 0.00 0.94 -0.34 0.00 1.01 0.00 0.00 58.87 60.48 3a1q n SER 65 Cb 0.00 -1.57 -0.13 0.00 -1.01 0.00 0.00 64.21 61.50 3a1q n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3a1q s THR 66 N -1.31 3.54 -0.00 0.44 2.01 -1.26 -1.35 115.64 117.70 3a1q s THR 66 Ca 0.74 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 3a1q s THR 66 Cb -0.41 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 3a1q s THR 66 CO 0.47 0.45 0.13 -0.76 -0.69 0.00 0.00 174.62 174.22 3a1q s LEU 67 N 1.03 4.13 -0.18 4.42 1.02 0.81 -4.90 118.68 125.00 3a1q s LEU 67 Ca 0.01 0.24 -0.06 0.00 0.02 0.00 0.00 54.13 54.34 3a1q s LEU 67 Cb -0.15 -2.46 -0.03 0.00 0.02 0.00 0.00 46.19 43.57 3a1q s LEU 67 CO 0.00 0.26 0.02 -1.00 0.02 0.00 0.00 176.35 175.65 3a1q s HIS 68 N -1.27 3.12 -0.20 0.29 3.76 -0.01 -0.40 115.29 120.58 3a1q s HIS 68 Ca 0.25 -0.18 -0.05 0.00 -0.15 0.00 0.00 55.06 54.93 3a1q s HIS 68 Cb -0.12 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 3a1q s HIS 68 CO 0.17 -0.02 -0.01 -1.17 -0.85 0.00 0.00 174.74 172.86 3a1q s LEU 69 N 0.57 3.16 0.10 0.89 2.96 -0.56 -0.44 118.68 125.37 3a1q s LEU 69 Ca 0.00 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3a1q s LEU 69 Cb -0.14 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3a1q s LEU 69 CO 0.02 0.05 -0.20 0.68 -1.32 0.00 0.00 176.35 175.58 3a1q s VAL 70 N 1.10 1.64 0.04 1.68 -7.23 -0.56 -4.19 120.40 112.89 3a1q s VAL 70 Ca 0.02 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3a1q s VAL 70 Cb -0.14 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 3a1q s VAL 70 CO 0.01 -0.11 0.16 -0.76 -0.31 0.00 0.00 175.10 174.09 3a1q s LEU 71 N -1.97 4.18 0.00 1.32 1.43 -1.26 -0.82 118.68 121.57 3a1q s LEU 71 Ca 0.06 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3a1q s LEU 71 Cb -0.10 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3a1q s LEU 71 CO 0.04 0.20 0.00 -1.14 0.23 0.00 0.00 176.35 175.69 3a1q n ARG 72 N 0.57 1.81 0.00 1.70 0.63 0.27 -4.94 116.66 116.70 3a1q n ARG 72 Ca -0.08 -0.05 0.13 0.00 -0.92 0.00 0.00 57.85 56.92 3a1q n ARG 72 Cb 0.52 0.01 0.22 0.00 0.45 0.00 0.00 32.46 33.65 3a1q n ARG 72 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40