#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4d n THR 22 N 0.00 0.12 -3.56 3.15 -2.24 -1.26 -4.95 114.28 105.54 1y4d n THR 22 Ca 0.00 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 1y4d n THR 22 Cb 0.00 1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 1y4d n THR 22 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1y4d s GLU 23 N -0.12 0.79 -0.59 -0.78 4.04 -1.26 -1.24 118.70 119.53 1y4d s GLU 23 Ca 0.00 0.26 0.06 0.00 0.04 0.00 0.00 54.97 55.33 1y4d s GLU 23 Cb 0.00 0.37 0.30 0.00 0.02 0.00 0.00 34.13 34.82 1y4d s GLU 23 CO 0.00 -0.23 0.84 0.91 -1.84 0.00 0.00 175.26 174.94 1y4d n TRP 24 N 0.99 3.61 -0.32 4.83 8.01 -0.61 -4.90 117.44 129.05 1y4d n TRP 24 Ca -0.14 -4.05 0.19 0.00 -1.31 0.00 0.00 57.50 52.19 1y4d n TRP 24 Cb 0.57 -0.51 0.39 0.00 -2.01 0.00 0.00 31.31 29.74 1y4d n TRP 24 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1y4d h PRO 25 N 3.55 0.18 0.00 -0.99 0.11 -1.95 0.16 132.00 133.07 1y4d h PRO 25 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1y4d h PRO 25 Cb 0.60 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1y4d h PRO 25 CO 0.81 0.12 0.10 -0.85 -0.21 0.00 0.00 178.00 177.97 1y4d n GLU 26 N -5.21 0.00 -0.24 1.05 0.00 -1.26 -2.26 120.64 112.71 1y4d n GLU 26 Ca 0.27 0.29 0.11 0.00 0.00 0.00 0.00 57.16 57.84 1y4d n GLU 26 Cb 0.87 -1.60 0.24 0.00 0.00 0.00 0.00 31.44 30.95 1y4d n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1y4d n LEU 27 N -1.27 3.56 0.00 -1.84 4.77 0.56 -4.96 117.00 117.82 1y4d n LEU 27 Ca 0.00 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 1y4d n LEU 27 Cb 0.10 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1y4d n LEU 27 CO 0.00 0.81 0.00 1.33 -1.33 0.00 0.00 177.39 178.20 1y4d n VAL 28 N 1.47 0.00 -2.19 4.08 0.24 -0.96 -2.59 118.33 118.38 1y4d n VAL 28 Ca 0.20 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.11 1y4d n VAL 28 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1y4d n VAL 28 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y4d n GLY 29 N 0.00 5.51 3.90 7.63 0.00 -1.23 -4.14 105.19 116.86 1y4d n GLY 29 Ca 0.00 -2.24 -0.28 0.00 0.00 0.00 0.00 46.02 43.50 1y4d n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y4d s LYS 30 N -2.40 3.61 1.09 1.61 -0.14 -1.07 -4.84 119.74 117.60 1y4d s LYS 30 Ca 0.49 0.11 -0.14 0.00 -1.36 0.00 0.00 55.97 55.07 1y4d s LYS 30 Cb 0.21 -2.51 0.24 0.00 -1.68 0.00 0.00 37.83 34.08 1y4d s LYS 30 CO -0.12 0.02 1.07 0.45 -0.76 0.00 0.00 175.35 176.01 1y4d s SER 31 N -3.59 1.79 0.20 2.83 0.15 -1.26 -2.39 113.70 111.43 1y4d s SER 31 Ca 0.46 1.15 -0.12 0.00 0.70 0.00 0.00 55.95 58.14 1y4d s SER 31 Cb -0.10 -1.78 0.25 0.00 -1.71 0.00 0.00 66.02 62.67 1y4d s SER 31 CO 0.36 -3.64 1.67 1.62 1.20 0.00 0.00 173.24 174.44 1y4d h VAL 32 N -2.24 0.53 -0.06 4.45 3.04 -1.90 -2.60 116.25 117.46 1y4d h VAL 32 Ca -0.55 -0.04 -0.18 0.00 -1.01 0.00 0.00 66.70 64.92 1y4d h VAL 32 Cb 1.33 0.41 0.01 0.00 -2.01 0.00 0.00 31.29 31.03 1y4d h VAL 32 CO 0.52 0.02 -0.69 -0.33 -1.01 0.00 0.00 177.57 176.09 1y4d h GLU 33 N 0.11 0.56 -0.96 4.17 3.07 -1.92 -0.61 114.58 119.00 1y4d h GLU 33 Ca 0.29 -0.53 0.09 0.00 -0.50 0.00 0.00 59.36 58.71 1y4d h GLU 33 Cb 0.46 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 28.44 1y4d h GLU 33 CO -0.49 1.16 0.62 0.93 -1.40 0.00 0.00 179.01 179.82 1y4d h GLU 34 N 0.17 1.00 -0.05 2.33 5.08 -1.92 0.17 114.58 121.35 1y4d h GLU 34 Ca -0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1y4d h GLU 34 Cb 1.35 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1y4d h GLU 34 CO 0.14 0.66 -0.05 0.00 -1.00 0.00 0.00 179.01 178.76 1y4d h ALA 35 N 1.51 0.07 -0.85 3.43 0.00 -1.27 -2.18 119.26 119.98 1y4d h ALA 35 Ca 0.44 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1y4d h ALA 35 Cb 0.32 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1y4d h ALA 35 CO -0.19 -0.14 0.49 0.87 0.00 0.00 0.00 179.25 180.28 1y4d h LYS 36 N -0.33 0.79 0.14 0.00 1.57 -0.54 -0.78 116.57 117.43 1y4d h LYS 36 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1y4d h LYS 36 Cb 0.55 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1y4d h LYS 36 CO 0.01 0.52 -0.07 0.87 -0.57 0.00 0.00 179.45 180.22 1y4d h LYS 37 N 0.81 -0.18 -0.20 3.15 1.57 -0.70 -0.87 116.57 120.15 1y4d h LYS 37 Ca 0.42 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.24 1y4d h LYS 37 Cb 0.40 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1y4d h LYS 37 CO -0.26 0.14 0.01 0.28 -0.57 0.00 0.00 179.45 179.05 1y4d h VAL 38 N -0.52 0.87 0.02 0.50 2.07 -1.30 1.28 116.25 119.17 1y4d h VAL 38 Ca -0.02 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1y4d h VAL 38 Cb 0.41 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1y4d h VAL 38 CO 0.03 0.01 -0.01 0.40 0.02 0.00 0.00 177.57 178.03 1y4d h ILE 39 N 0.08 1.28 -0.24 4.57 2.04 -1.11 -2.71 117.51 121.41 1y4d h ILE 39 Ca 0.09 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1y4d h ILE 39 Cb 0.11 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1y4d h ILE 39 CO -0.15 0.23 0.12 -0.07 0.00 0.00 0.00 178.15 178.28 1y4d h LEU 40 N -0.42 0.32 -2.59 1.44 3.38 -1.04 1.06 115.31 117.46 1y4d h LEU 40 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1y4d h LEU 40 Cb 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1y4d h LEU 40 CO 0.00 0.35 0.00 1.67 0.09 0.00 0.00 178.44 180.56 1y4d n GLN 41 N -4.82 0.44 0.00 1.13 0.00 0.44 -2.24 117.38 112.33 1y4d n GLN 41 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 1y4d n GLN 41 Cb 0.10 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.06 1y4d n GLN 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1y4d n ASP 42 N 1.16 0.00 -3.30 1.69 8.00 -0.87 -4.87 116.55 118.35 1y4d n ASP 42 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1y4d n ASP 42 Cb 0.22 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.24 1y4d n ASP 42 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1y4d n LYS 43 N -0.51 0.29 -0.32 -1.24 4.81 0.36 -5.06 118.16 116.49 1y4d n LYS 43 Ca 0.00 -3.07 0.20 0.00 -0.87 0.00 0.00 58.31 54.57 1y4d n LYS 43 Cb 0.00 -1.59 0.40 0.00 0.02 0.00 0.00 35.03 33.86 1y4d n LYS 43 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1y4d h PRO 44 N 5.34 0.21 -0.42 1.64 0.10 -1.76 -2.02 132.00 135.09 1y4d h PRO 44 Ca 0.22 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 66.31 1y4d h PRO 44 Cb 0.92 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 31.98 1y4d h PRO 44 CO 0.35 0.14 0.00 0.00 0.10 0.00 0.00 178.00 178.59 1y4d n ALA 45 N -2.52 2.44 -1.67 -0.75 0.00 -1.26 -4.96 120.51 111.79 1y4d n ALA 45 Ca 0.28 -0.78 -0.61 0.00 0.00 0.00 0.00 53.44 52.32 1y4d n ALA 45 Cb 0.89 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 1y4d n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y4d n ALA 46 N 0.82 -1.54 -2.82 0.00 0.00 -0.76 -4.92 120.51 111.29 1y4d n ALA 46 Ca 0.16 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.66 1y4d n ALA 46 Cb 0.39 -1.98 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 1y4d n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y4d s GLN 47 N 2.16 3.16 -0.15 0.00 -0.21 0.38 -4.98 119.66 120.01 1y4d s GLN 47 Ca 0.98 -0.79 -0.15 0.00 0.02 0.00 0.00 55.36 55.42 1y4d s GLN 47 Cb -1.28 -4.16 -0.05 0.00 1.00 0.00 0.00 33.01 28.53 1y4d s GLN 47 CO 0.68 -1.53 0.33 0.42 -2.12 0.00 0.00 175.29 173.07 1y4d s ILE 48 N 3.41 5.28 -0.07 1.08 1.01 -1.26 -1.73 121.20 128.93 1y4d s ILE 48 Ca 0.20 0.63 0.02 0.00 0.00 0.00 0.00 60.65 61.50 1y4d s ILE 48 Cb -0.18 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1y4d s ILE 48 CO 0.12 0.37 -0.11 -0.51 0.00 0.00 0.00 174.94 174.81 1y4d s ILE 49 N 0.52 1.06 -0.18 2.92 2.07 -1.00 -5.00 121.20 121.61 1y4d s ILE 49 Ca 0.18 -0.42 -0.15 0.00 -1.41 0.00 0.00 60.65 58.85 1y4d s ILE 49 Cb -0.13 -0.99 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 1y4d s ILE 49 CO 0.05 0.34 0.33 -0.69 -1.91 0.00 0.00 174.94 173.07 1y4d s VAL 50 N 0.78 5.26 0.02 4.00 1.01 -1.26 0.28 120.40 130.50 1y4d s VAL 50 Ca -0.12 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1y4d s VAL 50 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1y4d s VAL 50 CO 0.02 0.33 -0.04 -0.76 0.00 0.00 0.00 175.10 174.65 1y4d s LEU 51 N 0.85 2.22 0.65 3.92 1.43 -0.35 -4.95 118.68 122.45 1y4d s LEU 51 Ca 0.17 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 1y4d s LEU 51 Cb -0.14 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.08 1y4d s LEU 51 CO 0.06 -0.24 1.03 -2.65 0.23 0.00 0.00 176.35 174.78 1y4d n PRO 52 N 1.73 0.82 -2.29 1.29 -0.02 -1.26 -2.20 135.00 133.07 1y4d n PRO 52 Ca -0.22 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.25 1y4d n PRO 52 Cb 0.55 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1y4d n PRO 52 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1y4d s VAL 53 N -1.57 3.60 -0.35 -1.45 0.11 -0.68 -4.01 120.40 116.05 1y4d s VAL 53 Ca 0.77 0.92 -0.01 0.00 -2.93 0.00 0.00 61.98 60.73 1y4d s VAL 53 Cb -0.39 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1y4d s VAL 53 CO 0.46 -0.30 0.14 0.61 -3.33 0.00 0.00 175.10 172.69 1y4d n GLY 54 N -0.36 0.41 3.47 6.54 0.00 -1.26 -5.01 105.19 108.98 1y4d n GLY 54 Ca 0.10 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1y4d n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y4d s THR 55 N -2.68 2.52 0.04 2.61 -4.23 -1.26 -5.15 115.64 107.49 1y4d s THR 55 Ca 0.07 -2.26 -0.10 0.00 -1.18 0.00 0.00 61.69 58.22 1y4d s THR 55 Cb -0.03 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 1y4d s THR 55 CO 0.09 -0.31 0.36 -0.63 -0.54 0.00 0.00 174.62 173.58 1y4d s ILE 56 N -2.25 5.15 0.09 2.99 -1.09 -1.26 -5.11 121.20 119.73 1y4d s ILE 56 Ca 0.27 0.44 0.02 0.00 -2.23 0.00 0.00 60.65 59.15 1y4d s ILE 56 Cb -0.06 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1y4d s ILE 56 CO 0.14 0.37 -0.07 0.68 -1.23 0.00 0.00 174.94 174.82 1y4d s VAL 57 N -1.30 0.73 0.81 2.92 -7.23 -1.26 -5.14 120.40 109.92 1y4d s VAL 57 Ca 0.29 -1.75 -0.14 0.00 -1.81 0.00 0.00 61.98 58.57 1y4d s VAL 57 Cb -0.14 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.35 1y4d s VAL 57 CO 0.16 -0.74 0.69 0.35 -0.31 0.00 0.00 175.10 175.26 1y4d n THR 58 N 0.30 1.43 -1.54 5.32 -2.24 -1.26 -4.96 114.28 111.33 1y4d n THR 58 Ca -0.14 -0.29 -0.19 0.00 -2.27 0.00 0.00 64.05 61.15 1y4d n THR 58 Cb 0.59 -0.84 0.13 0.00 -2.10 0.00 0.00 70.33 68.10 1y4d n THR 58 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1y4d n ARG 59 N -1.70 2.51 -1.68 -0.78 5.12 -1.26 -4.98 116.66 113.89 1y4d n ARG 59 Ca 0.10 -3.43 -0.32 0.00 -1.93 0.00 0.00 57.85 52.27 1y4d n ARG 59 Cb 0.51 -2.09 0.05 0.00 -1.16 0.00 0.00 32.46 29.77 1y4d n ARG 59 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1y4d s SER 60 N -2.47 5.25 -0.27 0.55 1.04 -1.26 -5.05 113.70 111.48 1y4d s SER 60 Ca 0.53 1.80 0.03 0.00 0.48 0.00 0.00 55.95 58.78 1y4d s SER 60 Cb 0.44 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 64.10 1y4d s SER 60 CO 0.02 -1.53 -0.08 -0.47 0.98 0.00 0.00 173.24 172.16 1y4d s TYR 61 N -2.70 3.33 -0.22 5.02 5.04 -1.26 -5.02 117.35 121.53 1y4d s TYR 61 Ca 0.62 -2.36 -0.01 0.00 -2.44 0.00 0.00 57.07 52.89 1y4d s TYR 61 Cb -0.17 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.09 1y4d s TYR 61 CO 0.47 -0.88 -0.11 1.03 -1.34 0.00 0.00 175.55 174.73 1y4d s ARG 62 N 1.09 2.94 0.50 4.97 0.52 -1.26 -5.01 118.95 122.70 1y4d s ARG 62 Ca -0.06 -0.90 0.22 0.00 -0.52 0.00 0.00 55.73 54.47 1y4d s ARG 62 Cb -0.20 -2.85 1.30 0.00 0.52 0.00 0.00 34.95 33.72 1y4d s ARG 62 CO -0.05 -0.32 1.98 0.97 0.02 0.00 0.00 175.30 177.91 1y4d h ILE 63 N 6.05 0.77 0.00 1.52 6.09 -1.94 -1.65 117.51 128.34 1y4d h ILE 63 Ca -0.37 -0.04 -0.06 0.00 -1.37 0.00 0.00 64.86 63.02 1y4d h ILE 63 Cb 1.12 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 39.05 1y4d h ILE 63 CO 0.59 0.02 -0.26 0.44 -3.07 0.00 0.00 178.15 175.87 1y4d h ASP 64 N 0.11 0.00 -2.97 2.19 5.19 -1.95 -3.42 116.42 115.57 1y4d h ASP 64 Ca 0.27 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 56.06 1y4d h ASP 64 Cb 0.92 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.36 1y4d h ASP 64 CO -0.03 0.26 -0.27 -0.60 -3.12 0.00 0.00 179.24 175.49 1y4d s ARG 65 N -3.67 3.87 -0.19 3.56 3.52 -0.62 -0.47 118.95 124.94 1y4d s ARG 65 Ca 0.00 0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.86 1y4d s ARG 65 Cb 0.11 -3.24 0.05 0.00 -1.56 0.00 0.00 34.95 30.31 1y4d s ARG 65 CO 0.65 0.65 -0.00 0.08 -0.81 0.00 0.00 175.30 175.86 1y4d s VAL 66 N -0.87 0.86 0.09 7.11 1.01 -0.70 0.33 120.40 128.23 1y4d s VAL 66 Ca 0.21 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1y4d s VAL 66 Cb -0.15 -1.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 1y4d s VAL 66 CO 0.11 -0.09 0.65 -0.13 0.00 0.00 0.00 175.10 175.63 1y4d s ARG 67 N 1.72 4.34 -0.22 2.72 0.52 -1.26 -2.36 118.95 124.41 1y4d s ARG 67 Ca -0.01 0.89 0.02 0.00 -0.52 0.00 0.00 55.73 56.10 1y4d s ARG 67 Cb -0.17 -3.26 0.04 0.00 0.52 0.00 0.00 34.95 32.08 1y4d s ARG 67 CO -0.07 0.57 -0.16 -0.51 0.02 0.00 0.00 175.30 175.15 1y4d s LEU 68 N -0.96 2.74 -0.36 2.53 1.43 0.14 -4.38 118.68 119.82 1y4d s LEU 68 Ca 0.32 -0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 52.30 1y4d s LEU 68 Cb -0.21 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1y4d s LEU 68 CO 0.21 -0.09 0.27 -0.36 0.23 0.00 0.00 176.35 176.62 1y4d s PHE 69 N 1.21 3.23 0.16 0.29 0.08 -1.26 -1.21 117.98 120.48 1y4d s PHE 69 Ca -0.01 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 56.84 1y4d s PHE 69 Cb -0.16 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 1y4d s PHE 69 CO -0.09 -0.42 -0.05 0.14 -0.10 0.00 0.00 175.22 174.70 1y4d s VAL 70 N 1.76 3.51 0.96 -0.44 -7.23 -0.93 -0.96 120.40 117.06 1y4d s VAL 70 Ca 0.07 -1.44 -0.16 0.00 -1.81 0.00 0.00 61.98 58.65 1y4d s VAL 70 Cb -0.18 -2.72 0.19 0.00 0.56 0.00 0.00 36.38 34.23 1y4d s VAL 70 CO 0.11 -0.05 1.27 1.51 -0.31 0.00 0.00 175.10 177.62 1y4d s ASP 71 N -2.72 3.09 0.00 4.85 1.47 -0.31 -1.69 116.67 121.36 1y4d s ASP 71 Ca 0.25 0.43 0.04 0.00 1.18 0.00 0.00 52.55 54.45 1y4d s ASP 71 Cb -0.10 -0.59 0.17 0.00 -0.34 0.00 0.00 42.92 42.06 1y4d s ASP 71 CO 0.17 -2.76 1.01 0.54 0.68 0.00 0.00 175.17 174.81 1y4d n ARG 72 N -3.81 0.03 -0.33 2.11 3.00 -1.26 -1.51 116.66 114.89 1y4d n ARG 72 Ca 0.13 0.33 0.09 0.00 -0.01 0.00 0.00 57.85 58.40 1y4d n ARG 72 Cb 0.60 -1.50 0.27 0.00 0.00 0.00 0.00 32.46 31.82 1y4d n ARG 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1y4d n LEU 73 N -1.38 3.27 -3.03 0.55 4.77 -1.26 -4.96 117.00 114.96 1y4d n LEU 73 Ca 0.01 -1.64 -0.22 0.00 -0.03 0.00 0.00 56.01 54.13 1y4d n LEU 73 Cb 0.03 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1y4d n LEU 73 CO 0.03 0.78 -0.02 -0.90 -1.33 0.00 0.00 177.39 175.95 1y4d n ASP 74 N 1.20 -5.78 -4.48 -1.43 5.75 -0.57 -4.99 116.55 106.25 1y4d n ASP 74 Ca 0.20 -0.28 -0.33 0.00 -0.01 0.00 0.00 54.79 54.37 1y4d n ASP 74 Cb 0.53 -4.69 -0.13 0.00 -1.03 0.00 0.00 41.12 35.80 1y4d n ASP 74 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1y4d s ASN 75 N -2.67 4.05 -0.16 -1.12 -0.87 -1.26 -2.78 114.94 110.14 1y4d s ASN 75 Ca 0.30 -0.20 -0.34 0.00 -1.57 0.00 0.00 52.86 51.05 1y4d s ASN 75 Cb -0.14 -0.85 -0.11 0.00 -0.02 0.00 0.00 41.25 40.13 1y4d s ASN 75 CO 0.37 0.34 1.96 -0.38 -2.57 0.00 0.00 177.10 176.82 1y4d n ILE 76 N 2.23 0.48 -0.00 0.60 2.08 -1.01 -1.17 119.36 122.58 1y4d n ILE 76 Ca -0.17 -0.16 0.07 0.00 0.56 0.00 0.00 62.75 63.04 1y4d n ILE 76 Cb 0.52 -1.86 -0.13 0.00 -0.75 0.00 0.00 39.64 37.42 1y4d n ILE 76 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y4d n ALA 77 N 7.60 2.46 -2.85 -1.39 0.00 -0.14 -3.56 120.51 122.62 1y4d n ALA 77 Ca 0.27 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 1y4d n ALA 77 Cb 0.29 -0.74 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 1y4d n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y4d s GLN 78 N -3.27 0.54 -0.32 0.00 -0.21 -1.25 -5.00 119.66 110.15 1y4d s GLN 78 Ca -0.06 -0.75 -0.36 0.00 0.02 0.00 0.00 55.36 54.21 1y4d s GLN 78 Cb 0.11 -0.31 -0.12 0.00 1.00 0.00 0.00 33.01 33.69 1y4d s GLN 78 CO 0.87 0.06 2.11 0.28 -2.12 0.00 0.00 175.29 176.48 1y4d n VAL 79 N 1.50 0.24 -2.08 1.09 0.31 -1.26 -4.78 118.33 113.34 1y4d n VAL 79 Ca -0.22 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.52 1y4d n VAL 79 Cb 0.55 -1.61 0.02 0.00 -0.91 0.00 0.00 33.84 31.88 1y4d n VAL 79 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1y4d s PRO 80 N 5.71 3.29 -0.15 5.55 0.02 -1.26 -4.90 135.00 143.25 1y4d s PRO 80 Ca 1.07 1.85 -0.14 0.00 0.02 0.00 0.00 61.00 63.81 1y4d s PRO 80 Cb -0.87 -2.14 0.04 0.00 0.02 0.00 0.00 34.50 31.55 1y4d s PRO 80 CO 0.51 -0.96 0.41 0.50 -0.33 0.00 0.00 177.00 177.13 1y4d s ARG 81 N -3.06 0.46 0.30 5.54 3.52 -1.26 -1.57 118.95 122.88 1y4d s ARG 81 Ca 0.72 0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 56.61 1y4d s ARG 81 Cb -0.31 0.20 -0.10 0.00 -1.56 0.00 0.00 34.95 33.18 1y4d s ARG 81 CO 0.35 -0.07 1.40 0.54 -0.81 0.00 0.00 175.30 176.71 1y4d s VAL 82 N 0.34 2.60 0.00 7.11 0.11 -0.37 -4.09 120.40 126.09 1y4d s VAL 82 Ca -0.01 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 1y4d s VAL 82 Cb -0.03 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 1y4d s VAL 82 CO -0.01 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.48