#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4a n THR 22 N 0.00 0.00 -3.93 3.15 -2.24 -1.26 -4.89 114.28 105.11 1y4a n THR 22 Ca 0.00 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1y4a n THR 22 Cb 0.00 0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 1y4a n THR 22 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1y4a s GLU 23 N -1.75 0.62 -0.47 -0.78 -1.05 -1.26 -0.70 118.70 113.31 1y4a s GLU 23 Ca 0.00 -0.82 0.07 0.00 -0.15 0.00 0.00 54.97 54.08 1y4a s GLU 23 Cb 0.00 0.24 0.25 0.00 -0.44 0.00 0.00 34.13 34.18 1y4a s GLU 23 CO 0.00 -0.16 0.60 0.91 0.95 0.00 0.00 175.26 177.56 1y4a n TRP 24 N 0.62 0.96 0.17 4.83 8.01 -0.20 -4.95 117.44 126.88 1y4a n TRP 24 Ca -0.18 -3.76 0.16 0.00 -1.31 0.00 0.00 57.50 52.41 1y4a n TRP 24 Cb 0.59 -0.42 0.77 0.00 -2.01 0.00 0.00 31.31 30.24 1y4a n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1y4a h PRO 25 N 4.06 0.00 0.00 -0.99 0.13 -1.95 -1.73 132.00 131.52 1y4a h PRO 25 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1y4a h PRO 25 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1y4a h PRO 25 CO 0.59 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.51 1y4a n GLU 26 N -4.06 0.07 0.00 0.86 0.00 -1.26 -2.86 120.64 113.39 1y4a n GLU 26 Ca 0.02 0.13 0.12 0.00 0.00 0.00 0.00 57.16 57.43 1y4a n GLU 26 Cb 0.34 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.42 1y4a n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1y4a n LEU 27 N -1.45 1.18 -4.70 -1.84 4.77 -0.65 -4.87 117.00 109.44 1y4a n LEU 27 Ca 0.06 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.22 1y4a n LEU 27 Cb 0.23 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1y4a n LEU 27 CO 0.19 0.24 1.41 0.52 -1.33 0.00 0.00 177.39 178.42 1y4a n VAL 28 N -0.85 0.21 -0.02 4.08 0.31 -1.13 -1.54 118.33 119.39 1y4a n VAL 28 Ca 0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1y4a n VAL 28 Cb 0.37 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1y4a n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y4a n GLY 29 N 4.05 1.30 3.85 2.92 0.00 0.19 -4.96 105.19 112.55 1y4a n GLY 29 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1y4a n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y4a s LYS 30 N -0.56 3.60 1.01 1.61 -0.14 -0.59 -4.61 119.74 120.06 1y4a s LYS 30 Ca 0.00 0.85 -0.12 0.00 -1.36 0.00 0.00 55.97 55.33 1y4a s LYS 30 Cb 0.00 -2.08 0.19 0.00 -1.68 0.00 0.00 37.83 34.26 1y4a s LYS 30 CO 0.00 -0.56 1.08 -1.54 -0.76 0.00 0.00 175.35 173.57 1y4a s SER 31 N -3.79 2.50 0.13 2.83 1.04 -1.26 -0.91 113.70 114.24 1y4a s SER 31 Ca 0.57 1.31 -0.19 0.00 0.48 0.00 0.00 55.95 58.11 1y4a s SER 31 Cb -0.11 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 63.97 1y4a s SER 31 CO 0.48 -3.22 1.79 0.58 0.98 0.00 0.00 173.24 173.84 1y4a h VAL 32 N -1.95 1.06 -0.25 5.02 2.07 -1.96 -0.17 116.25 120.06 1y4a h VAL 32 Ca -0.55 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1y4a h VAL 32 Cb 1.32 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1y4a h VAL 32 CO 0.56 0.06 -0.07 -0.33 0.02 0.00 0.00 177.57 177.81 1y4a h GLU 33 N 0.34 0.39 -0.27 1.57 4.39 -1.94 0.38 114.58 119.44 1y4a h GLU 33 Ca 0.09 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1y4a h GLU 33 Cb -0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1y4a h GLU 33 CO -0.02 0.48 -0.08 0.93 -1.16 0.00 0.00 179.01 179.16 1y4a h GLU 34 N 0.38 0.53 -0.22 2.33 5.08 -1.87 -1.73 114.58 119.07 1y4a h GLU 34 Ca 0.08 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1y4a h GLU 34 Cb 0.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1y4a h GLU 34 CO 0.02 0.75 0.09 0.00 -1.00 0.00 0.00 179.01 178.86 1y4a h ALA 35 N 0.77 0.29 -0.41 3.43 0.00 -0.68 -2.80 119.26 119.85 1y4a h ALA 35 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1y4a h ALA 35 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1y4a h ALA 35 CO 0.03 -0.11 0.20 0.87 0.00 0.00 0.00 179.25 180.23 1y4a h LYS 36 N 0.20 0.57 -0.27 0.00 1.57 -0.89 -1.39 116.57 116.37 1y4a h LYS 36 Ca 0.07 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1y4a h LYS 36 Cb 0.19 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1y4a h LYS 36 CO -0.01 0.45 0.09 -0.22 -0.57 0.00 0.00 179.45 179.20 1y4a h LYS 37 N 0.58 0.42 -0.22 3.15 3.64 -1.06 -0.68 116.57 122.39 1y4a h LYS 37 Ca 0.15 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1y4a h LYS 37 Cb 0.07 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1y4a h LYS 37 CO -0.02 0.47 -0.19 0.28 -2.27 0.00 0.00 179.45 177.72 1y4a h VAL 38 N 0.28 1.32 -0.01 2.00 2.07 -1.30 -2.65 116.25 117.96 1y4a h VAL 38 Ca 0.09 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1y4a h VAL 38 Cb 0.22 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1y4a h VAL 38 CO -0.00 0.41 0.01 0.40 0.02 0.00 0.00 177.57 178.40 1y4a h ILE 39 N 0.20 1.02 0.00 4.57 2.04 -1.23 -1.97 117.51 122.14 1y4a h ILE 39 Ca 0.04 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1y4a h ILE 39 Cb 0.73 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1y4a h ILE 39 CO 0.05 0.02 -0.21 -0.07 0.00 0.00 0.00 178.15 177.94 1y4a h LEU 40 N -0.01 0.00 -0.15 1.44 3.38 -1.18 0.42 115.31 119.20 1y4a h LEU 40 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1y4a h LEU 40 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1y4a h LEU 40 CO -0.00 0.21 -0.09 1.56 0.09 0.00 0.00 178.44 180.20 1y4a h GLN 41 N 0.00 0.34 0.00 1.13 4.20 -1.31 -2.89 115.11 116.57 1y4a h GLN 41 Ca -0.00 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1y4a h GLN 41 Cb 0.46 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1y4a h GLN 41 CO 0.03 0.67 -0.50 -0.44 -0.67 0.00 0.00 178.83 177.92 1y4a h ASP 42 N -0.00 0.00 -1.41 1.46 3.32 -0.79 -3.42 116.42 115.58 1y4a h ASP 42 Ca 0.03 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.74 1y4a h ASP 42 Cb 0.58 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.88 1y4a h ASP 42 CO 0.03 0.50 -0.71 1.17 -1.72 0.00 0.00 179.24 178.50 1y4a n LYS 43 N -3.50 0.47 0.29 3.56 4.81 0.14 -4.91 118.16 119.03 1y4a n LYS 43 Ca 0.00 -2.49 0.18 0.00 -0.87 0.00 0.00 58.31 55.14 1y4a n LYS 43 Cb 0.61 -1.51 0.86 0.00 0.02 0.00 0.00 35.03 35.01 1y4a n LYS 43 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1y4a h PRO 44 N 4.97 0.00 -0.01 1.64 0.13 -1.72 -1.11 132.00 135.91 1y4a h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1y4a h PRO 44 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1y4a h PRO 44 CO 0.22 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.01 1y4a n ALA 45 N -2.12 2.63 -1.65 -0.56 0.00 -1.26 -4.96 120.51 112.59 1y4a n ALA 45 Ca -0.01 -0.31 -0.46 0.00 0.00 0.00 0.00 53.44 52.66 1y4a n ALA 45 Cb 0.22 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 1y4a n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y4a n ALA 46 N -0.45 0.65 -3.20 0.00 0.00 -0.42 -4.92 120.51 112.16 1y4a n ALA 46 Ca 0.21 0.43 -0.44 0.00 0.00 0.00 0.00 53.44 53.64 1y4a n ALA 46 Cb 0.22 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 1y4a n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y4a s GLN 47 N -0.32 2.86 -0.17 0.00 -0.21 0.11 -4.96 119.66 116.97 1y4a s GLN 47 Ca 0.70 -1.57 -0.14 0.00 0.02 0.00 0.00 55.36 54.37 1y4a s GLN 47 Cb -0.70 -4.13 -0.05 0.00 1.00 0.00 0.00 33.01 29.13 1y4a s GLN 47 CO 0.50 -1.17 0.31 0.42 -2.12 0.00 0.00 175.29 173.22 1y4a s ILE 48 N 1.56 5.29 -0.11 1.08 1.01 -1.26 -0.92 121.20 127.85 1y4a s ILE 48 Ca 0.04 0.57 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1y4a s ILE 48 Cb -0.27 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1y4a s ILE 48 CO 0.03 0.37 -0.16 -0.63 0.00 0.00 0.00 174.94 174.55 1y4a s ILE 49 N 0.61 1.52 -0.20 2.92 1.01 -0.34 -4.97 121.20 121.75 1y4a s ILE 49 Ca 0.17 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 1y4a s ILE 49 Cb -0.13 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1y4a s ILE 49 CO 0.05 0.45 0.09 -0.69 0.00 0.00 0.00 174.94 174.83 1y4a s VAL 50 N 0.93 4.95 0.02 2.92 1.01 -1.26 0.84 120.40 129.81 1y4a s VAL 50 Ca -0.08 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1y4a s VAL 50 Cb -0.15 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1y4a s VAL 50 CO -0.01 0.43 -0.04 -0.76 0.00 0.00 0.00 175.10 174.73 1y4a s LEU 51 N 0.55 2.18 0.25 3.92 1.43 0.10 -4.95 118.68 122.16 1y4a s LEU 51 Ca 0.05 -0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 1y4a s LEU 51 Cb -0.12 -0.01 -0.13 0.00 0.03 0.00 0.00 46.19 45.95 1y4a s LEU 51 CO 0.01 -0.20 1.39 -2.65 0.23 0.00 0.00 176.35 175.14 1y4a n PRO 52 N 1.93 2.04 -0.16 1.29 -0.02 -1.26 -0.93 135.00 137.90 1y4a n PRO 52 Ca -0.21 0.73 -0.01 0.00 -2.02 0.00 0.00 63.50 61.99 1y4a n PRO 52 Cb 0.56 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1y4a n PRO 52 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1y4a n VAL 53 N 1.75 -0.21 -2.17 -1.45 0.31 -0.35 -2.55 118.33 113.66 1y4a n VAL 53 Ca 0.11 0.94 -0.41 0.00 -0.01 0.00 0.00 64.34 64.97 1y4a n VAL 53 Cb 0.32 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1y4a n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y4a n GLY 54 N -1.19 5.17 3.26 2.92 0.00 -1.26 -4.90 105.19 109.18 1y4a n GLY 54 Ca 0.04 -2.13 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 1y4a n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y4a s THR 55 N -1.05 1.74 0.04 2.61 2.01 -1.06 -5.13 115.64 114.80 1y4a s THR 55 Ca 0.48 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 1y4a s THR 55 Cb 0.16 -1.48 -0.06 0.00 0.01 0.00 0.00 72.50 71.12 1y4a s THR 55 CO -0.06 0.35 0.56 -0.63 -0.69 0.00 0.00 174.62 174.14 1y4a s ILE 56 N -0.67 4.82 0.18 1.82 -1.09 -1.26 -5.09 121.20 119.91 1y4a s ILE 56 Ca 0.08 1.18 0.02 0.00 -2.23 0.00 0.00 60.65 59.71 1y4a s ILE 56 Cb -0.09 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 1y4a s ILE 56 CO 0.01 0.52 0.00 0.68 -1.23 0.00 0.00 174.94 174.92 1y4a s VAL 57 N -0.83 0.72 0.79 2.92 -7.23 -1.26 -5.15 120.40 110.36 1y4a s VAL 57 Ca 0.29 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.35 1y4a s VAL 57 Cb -0.19 -2.15 0.07 0.00 0.56 0.00 0.00 36.38 34.67 1y4a s VAL 57 CO 0.18 -0.45 1.13 0.42 -0.31 0.00 0.00 175.10 176.06 1y4a s THR 58 N -3.63 2.78 -0.45 5.32 -4.23 -1.26 -4.96 115.64 109.22 1y4a s THR 58 Ca 0.25 0.29 0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1y4a s THR 58 Cb 0.06 -2.67 0.54 0.00 1.34 0.00 0.00 72.50 71.77 1y4a s THR 58 CO 0.05 -0.29 1.73 0.54 -0.54 0.00 0.00 174.62 176.11 1y4a n ARG 59 N -3.40 2.41 -1.98 3.99 5.12 -1.26 -4.96 116.66 116.59 1y4a n ARG 59 Ca 0.11 -3.28 -0.33 0.00 -1.93 0.00 0.00 57.85 52.42 1y4a n ARG 59 Cb 0.52 -2.12 0.02 0.00 -1.16 0.00 0.00 32.46 29.72 1y4a n ARG 59 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1y4a s SER 60 N -2.08 5.57 -0.32 0.55 1.04 -1.26 -5.04 113.70 112.16 1y4a s SER 60 Ca 0.55 1.91 -0.03 0.00 0.48 0.00 0.00 55.95 58.85 1y4a s SER 60 Cb 0.46 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 64.09 1y4a s SER 60 CO 0.04 -1.32 0.04 -0.47 0.98 0.00 0.00 173.24 172.51 1y4a s TYR 61 N -2.35 3.28 -0.25 5.02 5.04 -1.26 -4.97 117.35 121.86 1y4a s TYR 61 Ca 0.65 -1.77 -0.01 0.00 -2.44 0.00 0.00 57.07 53.51 1y4a s TYR 61 Cb -0.18 -2.23 0.03 0.00 0.35 0.00 0.00 41.96 39.93 1y4a s TYR 61 CO 0.37 -0.79 -0.07 1.03 -1.34 0.00 0.00 175.55 174.75 1y4a s ARG 62 N 1.29 2.69 0.50 4.97 1.81 0.20 -5.00 118.95 125.41 1y4a s ARG 62 Ca -0.03 -1.07 0.15 0.00 -1.72 0.00 0.00 55.73 53.06 1y4a s ARG 62 Cb -0.20 -2.96 1.19 0.00 -0.45 0.00 0.00 34.95 32.53 1y4a s ARG 62 CO -0.00 -0.44 2.12 0.97 -0.68 0.00 0.00 175.30 177.27 1y4a h ILE 63 N 6.27 1.00 -0.00 1.52 6.09 -1.96 -2.13 117.51 128.30 1y4a h ILE 63 Ca -0.30 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1y4a h ILE 63 Cb 1.09 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.25 1y4a h ILE 63 CO 0.56 0.02 -0.30 -0.90 -3.07 0.00 0.00 178.15 174.46 1y4a n ASP 64 N -4.52 0.46 -4.79 2.19 3.85 -1.26 -4.68 116.55 107.80 1y4a n ASP 64 Ca -0.01 -0.23 -0.38 0.00 -0.71 0.00 0.00 54.79 53.47 1y4a n ASP 64 Cb 0.12 0.02 -0.06 0.00 -1.35 0.00 0.00 41.12 39.85 1y4a n ASP 64 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1y4a s ARG 65 N -2.85 4.06 -0.21 0.11 3.52 -0.81 0.08 118.95 122.86 1y4a s ARG 65 Ca 0.16 0.33 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 1y4a s ARG 65 Cb 0.18 -3.31 0.05 0.00 -1.56 0.00 0.00 34.95 30.31 1y4a s ARG 65 CO 0.60 0.48 -0.08 0.08 -0.81 0.00 0.00 175.30 175.58 1y4a s VAL 66 N -0.37 1.52 0.04 7.11 1.01 -0.10 -0.88 120.40 128.73 1y4a s VAL 66 Ca 0.22 -1.03 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 1y4a s VAL 66 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1y4a s VAL 66 CO 0.10 0.06 0.90 -0.13 0.00 0.00 0.00 175.10 176.03 1y4a s ARG 67 N 1.43 4.58 -0.28 2.72 0.52 -1.26 -1.20 118.95 125.47 1y4a s ARG 67 Ca -0.03 1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 56.44 1y4a s ARG 67 Cb -0.17 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 31.90 1y4a s ARG 67 CO -0.07 0.12 0.03 -0.51 0.02 0.00 0.00 175.30 174.89 1y4a s LEU 68 N 0.43 3.60 -0.23 2.53 1.43 0.25 -4.48 118.68 122.20 1y4a s LEU 68 Ca 0.46 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.73 1y4a s LEU 68 Cb -0.21 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1y4a s LEU 68 CO 0.27 -0.16 0.13 -0.36 0.23 0.00 0.00 176.35 176.46 1y4a s PHE 69 N 1.45 3.27 0.01 0.29 0.08 -1.26 -0.72 117.98 121.10 1y4a s PHE 69 Ca 0.02 0.12 0.06 0.00 0.12 0.00 0.00 56.93 57.25 1y4a s PHE 69 Cb -0.17 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1y4a s PHE 69 CO 0.00 0.03 -0.17 0.14 -0.10 0.00 0.00 175.22 175.12 1y4a s VAL 70 N 1.00 2.87 0.64 -0.44 -7.23 -0.10 -0.44 120.40 116.70 1y4a s VAL 70 Ca 0.06 -1.04 -0.11 0.00 -1.81 0.00 0.00 61.98 59.08 1y4a s VAL 70 Cb -0.14 -2.18 0.15 0.00 0.56 0.00 0.00 36.38 34.77 1y4a s VAL 70 CO 0.04 0.42 0.78 -0.90 -0.31 0.00 0.00 175.10 175.12 1y4a n ASP 71 N 1.78 -0.35 0.32 4.85 5.68 0.65 -1.21 116.55 128.27 1y4a n ASP 71 Ca -0.16 -1.20 0.19 0.00 -0.50 0.00 0.00 54.79 53.12 1y4a n ASP 71 Cb 0.52 -0.62 1.02 0.00 -1.14 0.00 0.00 41.12 40.90 1y4a n ASP 71 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1y4a h ARG 72 N 0.00 0.00 -0.42 0.11 -0.00 -2.01 0.09 114.38 112.15 1y4a h ARG 72 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.72 1y4a h ARG 72 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.71 1y4a h ARG 72 CO 0.18 0.00 0.00 1.28 -0.00 0.00 0.00 179.97 181.43 1y4a n LEU 73 N -3.08 3.46 -0.77 0.08 4.77 -1.26 -4.92 117.00 115.27 1y4a n LEU 73 Ca -0.02 -1.52 -0.09 0.00 -0.03 0.00 0.00 56.01 54.35 1y4a n LEU 73 Cb 0.22 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1y4a n LEU 73 CO 0.18 0.76 -0.09 -0.67 -1.33 0.00 0.00 177.39 176.24 1y4a n ASP 74 N 1.48 -3.79 -4.89 -1.43 2.03 0.02 -5.04 116.55 104.93 1y4a n ASP 74 Ca 0.20 0.15 -0.25 0.00 0.52 0.00 0.00 54.79 55.42 1y4a n ASP 74 Cb 0.60 -2.35 -0.04 0.00 -0.72 0.00 0.00 41.12 38.61 1y4a n ASP 74 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1y4a s ASN 75 N -2.82 6.01 0.11 1.67 0.02 -1.26 -3.85 114.94 114.83 1y4a s ASN 75 Ca 0.00 0.02 -0.31 0.00 -1.02 0.00 0.00 52.86 51.55 1y4a s ASN 75 Cb 0.00 -1.71 -0.10 0.00 0.02 0.00 0.00 41.25 39.46 1y4a s ASN 75 CO 0.00 0.02 1.75 -0.63 0.02 0.00 0.00 177.10 178.26 1y4a s ILE 76 N -1.84 2.69 -0.08 0.60 -1.09 -0.09 -0.26 121.20 121.13 1y4a s ILE 76 Ca 0.33 0.22 0.14 0.00 -2.23 0.00 0.00 60.65 59.11 1y4a s ILE 76 Cb -0.10 -3.14 -0.20 0.00 -1.58 0.00 0.00 42.46 37.44 1y4a s ILE 76 CO 0.27 0.00 0.18 0.00 -1.23 0.00 0.00 174.94 174.16 1y4a n ALA 77 N 5.46 2.09 -2.55 9.38 0.00 0.42 -0.64 120.51 134.65 1y4a n ALA 77 Ca 0.17 -0.65 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 1y4a n ALA 77 Cb 0.39 -0.27 -0.12 0.00 0.00 0.00 0.00 19.45 19.45 1y4a n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y4a s GLN 78 N -2.67 1.09 -0.08 0.00 -1.52 -1.25 -4.93 119.66 110.30 1y4a s GLN 78 Ca -0.06 -1.15 -0.32 0.00 -1.95 0.00 0.00 55.36 51.88 1y4a s GLN 78 Cb 0.07 -1.30 -0.10 0.00 -0.22 0.00 0.00 33.01 31.46 1y4a s GLN 78 CO 0.59 0.30 1.99 0.28 -0.25 0.00 0.00 175.29 178.20 1y4a n VAL 79 N 1.04 0.60 -1.91 1.09 0.31 -1.26 -4.77 118.33 113.42 1y4a n VAL 79 Ca -0.19 -0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 63.54 1y4a n VAL 79 Cb 0.54 -2.13 -0.02 0.00 -0.91 0.00 0.00 33.84 31.32 1y4a n VAL 79 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1y4a s PRO 80 N 4.72 4.21 0.09 5.55 0.02 -1.26 -4.86 135.00 143.46 1y4a s PRO 80 Ca 0.94 2.42 -0.03 0.00 0.02 0.00 0.00 61.00 64.35 1y4a s PRO 80 Cb -0.55 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 30.87 1y4a s PRO 80 CO 0.46 -0.50 0.06 1.03 -0.33 0.00 0.00 177.00 177.72 1y4a s ARG 81 N -0.62 0.80 0.35 5.54 0.52 -1.26 -1.04 118.95 123.24 1y4a s ARG 81 Ca 0.60 -1.24 -0.28 0.00 -0.52 0.00 0.00 55.73 54.29 1y4a s ARG 81 Cb -0.44 0.26 -0.10 0.00 0.52 0.00 0.00 34.95 35.19 1y4a s ARG 81 CO 0.47 -0.21 1.28 0.08 0.02 0.00 0.00 175.30 176.94 1y4a s VAL 82 N -3.95 2.79 0.00 3.52 1.01 0.12 -4.11 120.40 119.78 1y4a s VAL 82 Ca 0.13 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1y4a s VAL 82 Cb 0.07 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1y4a s VAL 82 CO -0.06 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.82