#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roe s LEU 2 N 0.00 2.66 0.04 -0.89 1.43 -0.49 -4.94 118.68 116.49 2roe s LEU 2 Ca 0.00 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2roe s LEU 2 Cb 0.00 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2roe s LEU 2 CO 0.00 0.31 -0.00 -0.54 0.23 0.00 0.00 176.35 176.34 2roe s LYS 3 N -1.04 2.68 0.05 1.70 1.02 -1.26 -1.15 119.74 121.74 2roe s LYS 3 Ca 0.13 -0.71 -0.00 0.00 0.02 0.00 0.00 55.97 55.41 2roe s LYS 3 Cb -0.11 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 2roe s LYS 3 CO 0.03 0.59 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.50 2roe s LEU 4 N -1.86 2.40 -0.05 3.17 1.43 -0.45 -1.63 118.68 121.69 2roe s LEU 4 Ca 0.22 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2roe s LEU 4 Cb -0.12 0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.19 2roe s LEU 4 CO 0.14 -0.46 -0.25 -0.75 0.23 0.00 0.00 176.35 175.26 2roe s LYS 5 N -2.98 2.41 0.11 1.70 2.47 0.11 -1.39 119.74 122.18 2roe s LYS 5 Ca -0.01 -0.91 0.07 0.00 -1.56 0.00 0.00 55.97 53.57 2roe s LYS 5 Cb 0.01 -2.11 -0.04 0.00 -1.46 0.00 0.00 37.83 34.23 2roe s LYS 5 CO -0.06 0.43 -0.18 0.08 0.16 0.00 0.00 175.35 175.78 2roe s VAL 6 N -0.28 1.52 -0.00 4.02 1.01 -0.03 -1.61 120.40 125.03 2roe s VAL 6 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 60.38 2roe s VAL 6 Cb -0.13 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 2roe s VAL 6 CO 0.02 -0.20 0.04 -0.70 0.00 0.00 0.00 175.10 174.27 2roe s GLU 7 N -2.14 0.25 0.00 2.72 -6.30 0.09 -4.57 118.70 108.76 2roe s GLU 7 Ca 0.06 -0.28 0.00 0.00 -2.50 0.00 0.00 54.97 52.25 2roe s GLU 7 Cb -0.08 0.10 0.00 0.00 0.00 0.00 0.00 34.13 34.14 2roe s GLU 7 CO 0.04 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.68 2roe n GLY 8 N 2.16 3.24 3.67 -1.50 0.00 -1.26 -1.87 105.19 109.64 2roe n GLY 8 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2roe n GLY 8 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2roe s MET 9 N -0.77 4.20 0.00 1.61 -1.94 -1.26 -4.84 119.30 116.30 2roe s MET 9 Ca 0.00 2.21 0.00 0.00 -1.71 0.00 0.00 55.69 56.19 2roe s MET 9 Cb 0.00 -3.79 0.00 0.00 2.01 0.00 0.00 34.83 33.05 2roe s MET 9 CO 0.00 -0.77 0.00 -2.37 -0.01 0.00 0.00 175.02 171.87 2roe n THR 10 N 5.09 0.00 -4.11 2.05 5.66 -1.26 -5.00 114.28 116.71 2roe n THR 10 Ca 0.16 -0.26 -0.10 0.00 -3.05 0.00 0.00 64.05 60.81 2roe n THR 10 Cb 0.42 0.83 -0.09 0.00 -1.55 0.00 0.00 70.33 69.93 2roe n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roe h ASN 12 N 2.81 0.49 0.17 0.00 2.35 -1.99 -0.06 115.58 119.34 2roe h ASN 12 Ca -0.34 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 2roe h ASN 12 Cb 1.20 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 2roe h ASN 12 CO 0.57 0.38 -0.11 0.45 -1.65 0.00 0.00 177.43 177.07 2roe h HIS 13 N 0.57 0.00 0.00 1.19 3.86 -1.99 -0.94 115.15 117.84 2roe h HIS 13 Ca 0.15 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2roe h HIS 13 Cb -0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2roe h HIS 13 CO 0.00 0.11 -0.19 0.00 0.86 0.00 0.00 177.93 178.70 2roe h VAL 15 N -0.58 0.19 -0.59 0.00 2.07 -0.90 -2.05 116.25 114.40 2roe h VAL 15 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 2roe h VAL 15 Cb 0.96 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2roe h VAL 15 CO 0.04 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.03 2roe h MET 16 N -0.70 0.23 0.34 1.57 -0.00 -1.32 0.16 114.93 115.21 2roe h MET 16 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.67 2roe h MET 16 Cb 0.69 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 2roe h MET 16 CO -0.17 0.15 -0.16 0.00 -0.00 0.00 0.00 176.91 176.73 2roe h ALA 17 N 1.71 -0.46 -0.75 -3.00 0.00 -1.33 -2.01 119.26 113.42 2roe h ALA 17 Ca 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2roe h ALA 17 Cb 0.78 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2roe h ALA 17 CO -0.06 -0.64 0.27 0.28 0.00 0.00 0.00 179.25 179.11 2roe h VAL 18 N -0.70 1.26 -0.44 0.00 2.07 -0.77 -0.42 116.25 117.25 2roe h VAL 18 Ca -0.05 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.68 2roe h VAL 18 Cb 0.49 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2roe h VAL 18 CO 0.08 0.34 0.17 0.74 0.02 0.00 0.00 177.57 178.91 2roe h THR 19 N 1.10 0.87 -0.36 2.57 2.02 -0.67 0.97 112.91 119.41 2roe h THR 19 Ca 0.25 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 2roe h THR 19 Cb 0.25 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2roe h THR 19 CO -0.02 0.06 -0.04 0.50 0.37 0.00 0.00 175.52 176.39 2roe h LYS 20 N 0.34 0.67 -0.96 6.66 3.64 -0.89 -1.85 116.57 124.18 2roe h LYS 20 Ca 0.21 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2roe h LYS 20 Cb 0.19 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 2roe h LYS 20 CO -0.20 0.80 0.62 0.00 -2.27 0.00 0.00 179.45 178.41 2roe h ALA 21 N 0.84 1.30 -0.22 5.00 0.00 -0.41 -1.04 119.26 124.73 2roe h ALA 21 Ca 0.10 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2roe h ALA 21 Cb 0.53 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2roe h ALA 21 CO 0.03 0.46 -0.58 -0.07 0.00 0.00 0.00 179.25 179.09 2roe h LEU 22 N 1.17 0.80 -1.23 0.00 3.38 -0.70 -3.20 115.31 115.53 2roe h LEU 22 Ca 0.40 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2roe h LEU 22 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2roe h LEU 22 CO -0.15 1.20 -0.35 0.11 0.09 0.00 0.00 178.44 179.35 2roe h LYS 23 N 0.54 0.07 0.00 1.13 1.57 -0.45 -2.65 116.57 116.77 2roe h LYS 23 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2roe h LYS 23 Cb 1.16 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2roe h LYS 23 CO 0.12 0.41 -0.08 1.57 -0.57 0.00 0.00 179.45 180.89 2roe h LYS 24 N 0.06 0.00 -6.56 3.15 2.10 -1.22 -3.42 116.57 110.68 2roe h LYS 24 Ca 0.01 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 2roe h LYS 24 Cb 0.64 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.03 2roe h LYS 24 CO 0.05 0.08 0.86 0.28 -2.00 0.00 0.00 179.45 178.72 2roe n VAL 25 N -3.41 0.06 -1.88 0.07 0.31 -1.00 -4.85 118.33 107.62 2roe n VAL 25 Ca -0.01 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 2roe n VAL 25 Cb 0.24 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 2roe n VAL 25 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2roe s PRO 26 N 0.91 3.32 0.00 5.55 0.04 -1.26 -1.96 135.00 141.60 2roe s PRO 26 Ca 0.77 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2roe s PRO 26 Cb -0.62 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 29.68 2roe s PRO 26 CO 0.37 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.94 2roe n GLY 27 N 5.46 0.98 3.51 0.56 0.00 -1.26 -4.53 105.19 109.91 2roe n GLY 27 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2roe n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2roe s VAL 28 N -2.00 4.55 -0.07 1.61 1.01 -0.83 -1.44 120.40 123.23 2roe s VAL 28 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 2roe s VAL 28 Cb 0.00 -4.44 -0.30 0.00 0.00 0.00 0.00 36.38 31.65 2roe s VAL 28 CO 0.00 -0.95 0.80 -0.33 0.00 0.00 0.00 175.10 174.62 2roe h GLU 29 N 9.16 0.25 -3.73 2.72 4.39 -1.90 -3.46 114.58 122.02 2roe h GLU 29 Ca -0.26 -0.43 -0.08 0.00 0.34 0.00 0.00 59.36 58.93 2roe h GLU 29 Cb 1.08 0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 29.77 2roe h GLU 29 CO 1.03 1.21 -0.25 0.21 -1.16 0.00 0.00 179.01 180.05 2roe s LYS 30 N -2.42 1.10 -0.07 2.33 2.20 -1.26 -4.95 119.74 116.67 2roe s LYS 30 Ca -0.16 -1.02 -0.06 0.00 -0.36 0.00 0.00 55.97 54.37 2roe s LYS 30 Cb 0.01 0.40 0.02 0.00 -1.51 0.00 0.00 37.83 36.76 2roe s LYS 30 CO 0.80 -0.41 0.19 0.08 -0.36 0.00 0.00 175.35 175.65 2roe s VAL 31 N -3.91 -0.01 -0.67 4.02 1.01 -1.26 -2.76 120.40 116.83 2roe s VAL 31 Ca 0.11 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2roe s VAL 31 Cb 0.03 -0.28 0.17 0.00 0.00 0.00 0.00 36.38 36.30 2roe s VAL 31 CO -0.05 0.01 0.49 1.21 0.00 0.00 0.00 175.10 176.77 2roe n GLU 32 N 3.19 1.68 -3.10 2.72 2.13 0.36 -4.94 120.64 122.68 2roe n GLU 32 Ca -0.15 -4.34 -0.36 0.00 0.66 0.00 0.00 57.16 52.97 2roe n GLU 32 Cb 0.58 -2.21 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 2roe n GLU 32 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2roe s VAL 33 N -1.35 4.58 -0.03 6.31 1.01 -1.26 -2.33 120.40 127.33 2roe s VAL 33 Ca 0.27 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2roe s VAL 33 Cb -0.02 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2roe s VAL 33 CO -0.17 0.17 -0.04 -0.55 0.00 0.00 0.00 175.10 174.51 2roe s SER 34 N -1.71 0.82 -0.01 3.32 0.15 -0.40 -4.99 113.70 110.88 2roe s SER 34 Ca 0.44 -0.11 -0.21 0.00 0.70 0.00 0.00 55.95 56.77 2roe s SER 34 Cb -0.16 -0.35 -0.12 0.00 -1.71 0.00 0.00 66.02 63.68 2roe s SER 34 CO 0.21 -0.03 0.87 0.25 1.20 0.00 0.00 173.24 175.73 2roe h LEU 35 N 6.94 -0.64 -0.74 3.45 5.85 -1.95 -1.64 115.31 126.58 2roe h LEU 35 Ca -0.37 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.44 2roe h LEU 35 Cb 1.16 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 2roe h LEU 35 CO 0.48 -0.23 0.42 1.05 -0.34 0.00 0.00 178.44 179.82 2roe h GLU 36 N -1.20 0.72 0.00 1.25 4.11 -1.97 -2.38 114.58 115.11 2roe h GLU 36 Ca -0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2roe h GLU 36 Cb 0.58 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2roe h GLU 36 CO 0.13 0.48 -0.18 0.87 0.07 0.00 0.00 179.01 180.37 2roe h LYS 37 N 0.74 0.00 -4.58 1.06 1.57 -2.00 -3.47 116.57 109.89 2roe h LYS 37 Ca 0.34 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.72 2roe h LYS 37 Cb 0.25 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.59 2roe h LYS 37 CO -0.21 0.00 -0.59 0.41 -0.57 0.00 0.00 179.45 178.50 2roe n GLY 38 N 1.19 -0.52 3.11 3.86 0.00 -0.62 -4.95 105.19 107.27 2roe n GLY 38 Ca 0.04 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2roe n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2roe s GLU 39 N -5.71 0.67 0.04 1.61 2.02 -1.21 -0.85 118.70 115.26 2roe s GLU 39 Ca 0.30 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 54.30 2roe s GLU 39 Cb -0.14 -0.28 -0.02 0.00 0.10 0.00 0.00 34.13 33.79 2roe s GLU 39 CO 0.37 0.03 -0.07 0.00 0.02 0.00 0.00 175.26 175.61 2roe s ALA 40 N -2.31 0.46 -0.05 5.21 0.00 -0.48 -1.27 121.76 123.32 2roe s ALA 40 Ca -0.01 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2roe s ALA 40 Cb -0.04 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.17 2roe s ALA 40 CO -0.02 -0.05 -0.08 -0.51 0.00 0.00 0.00 175.76 175.11 2roe s LEU 41 N -1.51 1.47 -0.23 0.00 1.02 -0.98 -1.34 118.68 117.11 2roe s LEU 41 Ca -0.11 -0.21 -0.04 0.00 0.02 0.00 0.00 54.13 53.80 2roe s LEU 41 Cb -0.10 -0.62 -0.00 0.00 0.02 0.00 0.00 46.19 45.49 2roe s LEU 41 CO 0.00 -0.02 -0.04 -0.69 0.02 0.00 0.00 176.35 175.63 2roe s VAL 42 N 0.82 3.32 -0.58 -1.59 1.01 -0.30 -0.48 120.40 122.59 2roe s VAL 42 Ca -0.12 -0.60 0.25 0.00 0.00 0.00 0.00 61.98 61.50 2roe s VAL 42 Cb -0.15 -2.55 0.24 0.00 0.00 0.00 0.00 36.38 33.92 2roe s VAL 42 CO 0.02 0.36 1.59 -0.33 0.00 0.00 0.00 175.10 176.74 2roe h GLU 43 N 8.11 0.00 -7.39 2.72 4.39 -1.83 -1.31 114.58 119.27 2roe h GLU 43 Ca -0.39 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 58.89 2roe h GLU 43 Cb 1.15 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 29.99 2roe h GLU 43 CO 0.60 0.00 0.14 0.20 -1.16 0.00 0.00 179.01 178.79 2roe s GLY 44 N -3.86 1.58 0.00 -3.84 0.00 -1.26 -4.66 107.32 95.29 2roe s GLY 44 Ca 0.08 -0.91 0.26 0.00 0.00 0.00 0.00 44.72 44.14 2roe s GLY 44 CO 0.66 -0.04 1.47 -1.30 0.00 0.00 0.00 173.10 173.88 2roe n THR 45 N -4.73 0.02 -1.41 0.90 -2.24 -0.52 -4.72 114.28 101.58 2roe n THR 45 Ca 0.13 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 61.11 2roe n THR 45 Cb 0.59 1.05 0.02 0.00 -2.10 0.00 0.00 70.33 69.89 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roe n ALA 46 N 0.84 -1.71 -1.92 6.98 0.00 -1.23 -4.93 120.51 118.55 2roe n ALA 46 Ca 0.16 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2roe n ALA 46 Cb 0.49 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 2roe n ALA 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2roe s ASP 47 N -1.06 7.06 0.24 0.00 1.11 -1.26 -4.94 116.67 117.81 2roe s ASP 47 Ca 0.64 2.34 -0.07 0.00 0.18 0.00 0.00 52.55 55.64 2roe s ASP 47 Cb -0.51 -2.62 0.25 0.00 1.07 0.00 0.00 42.92 41.11 2roe s ASP 47 CO 0.58 -0.35 1.90 1.55 1.18 0.00 0.00 175.17 180.03 2roe h PRO 48 N 4.56 1.15 -0.30 8.23 0.13 -2.00 -1.70 132.00 142.08 2roe h PRO 48 Ca -0.46 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2roe h PRO 48 Cb 1.22 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2roe h PRO 48 CO 0.71 0.76 0.20 1.57 -0.23 0.00 0.00 178.00 181.01 2roe h LYS 49 N 1.18 0.37 0.11 0.86 2.10 -2.00 -1.87 116.57 117.32 2roe h LYS 49 Ca 0.35 -0.02 -0.26 0.00 -2.00 0.00 0.00 60.65 58.71 2roe h LYS 49 Cb -0.07 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 2roe h LYS 49 CO -0.09 0.24 -1.19 0.00 -2.00 0.00 0.00 179.45 176.41 2roe h ALA 50 N 1.82 0.14 0.56 0.07 0.00 -1.73 -3.12 119.26 117.01 2roe h ALA 50 Ca 0.11 -0.86 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 2roe h ALA 50 Cb -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2roe h ALA 50 CO -0.02 0.97 -0.27 -0.07 0.00 0.00 0.00 179.25 179.86 2roe h LEU 51 N 0.09 -0.64 -0.88 0.00 3.38 -0.65 -1.77 115.31 114.84 2roe h LEU 51 Ca -0.12 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.92 2roe h LEU 51 Cb 1.91 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 42.75 2roe h LEU 51 CO 0.19 -0.35 0.52 1.62 0.09 0.00 0.00 178.44 180.52 2roe h VAL 52 N -0.91 0.91 -0.54 1.22 3.04 -1.52 -1.75 116.25 116.71 2roe h VAL 52 Ca -0.08 -0.30 0.03 0.00 -1.01 0.00 0.00 66.70 65.35 2roe h VAL 52 Cb 0.63 -0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 29.85 2roe h VAL 52 CO 0.13 0.16 0.31 -0.61 -1.01 0.00 0.00 177.57 176.54 2roe h GLN 53 N 0.86 0.59 0.00 4.17 -0.00 -1.45 -1.04 115.11 118.24 2roe h GLN 53 Ca 0.43 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 59.04 2roe h GLN 53 Cb 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 2roe h GLN 53 CO -0.25 0.39 -0.03 0.00 0.00 0.00 0.00 178.83 178.94 2roe h ALA 54 N 1.26 1.32 0.16 3.38 0.00 -0.40 0.55 119.26 125.52 2roe h ALA 54 Ca 0.22 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.77 2roe h ALA 54 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2roe h ALA 54 CO -0.12 0.04 -1.72 0.28 0.00 0.00 0.00 179.25 177.72 2roe h VAL 55 N 0.00 0.95 -0.25 0.00 2.07 -1.06 -3.34 116.25 114.62 2roe h VAL 55 Ca -0.00 -2.57 -0.09 0.00 0.82 0.00 0.00 66.70 64.86 2roe h VAL 55 Cb 0.11 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2roe h VAL 55 CO 0.00 0.84 -0.22 -0.33 0.02 0.00 0.00 177.57 177.89 2roe h GLU 56 N 0.09 0.46 0.00 1.57 5.08 -0.39 -2.52 114.58 118.88 2roe h GLU 56 Ca -0.33 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2roe h GLU 56 Cb 2.07 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 2roe h GLU 56 CO 0.16 0.65 -0.10 1.05 -1.00 0.00 0.00 179.01 179.78 2roe h GLU 57 N 0.41 0.00 -0.02 2.33 4.11 -1.06 -1.33 114.58 119.02 2roe h GLU 57 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2roe h GLU 57 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2roe h GLU 57 CO 0.04 0.10 0.00 0.39 0.07 0.00 0.00 179.01 179.61 2roe n GLU 58 N -3.34 1.34 -0.64 1.06 -0.58 -0.97 -4.91 120.64 112.61 2roe n GLU 58 Ca -0.01 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 2roe n GLU 58 Cb 0.29 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2roe n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2roe n GLY 59 N 1.07 0.71 3.97 0.62 0.00 -0.50 -5.06 105.19 106.00 2roe n GLY 59 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 2roe n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2roe s TYR 60 N -2.28 3.06 -0.36 1.61 2.02 -1.10 -5.02 117.35 115.29 2roe s TYR 60 Ca 0.00 0.05 -0.09 0.00 -0.37 0.00 0.00 57.07 56.66 2roe s TYR 60 Cb 0.00 -2.42 0.03 0.00 -0.40 0.00 0.00 41.96 39.17 2roe s TYR 60 CO 0.00 -0.48 0.17 0.15 -1.57 0.00 0.00 175.55 173.82 2roe s LYS 61 N -4.56 2.76 0.32 -0.62 -0.14 -0.78 -4.00 119.74 112.72 2roe s LYS 61 Ca 0.51 -1.11 0.08 0.00 -1.36 0.00 0.00 55.97 54.09 2roe s LYS 61 Cb -0.10 -3.63 -0.06 0.00 -1.68 0.00 0.00 37.83 32.35 2roe s LYS 61 CO 0.37 -0.69 -0.08 0.00 -0.76 0.00 0.00 175.35 174.19 2roe s ALA 62 N 1.50 2.73 -0.24 5.17 0.00 -1.26 -0.73 121.76 128.94 2roe s ALA 62 Ca 0.01 -2.03 -0.26 0.00 0.00 0.00 0.00 51.96 49.68 2roe s ALA 62 Cb -0.19 0.05 0.09 0.00 0.00 0.00 0.00 23.12 23.06 2roe s ALA 62 CO 0.05 0.02 0.80 -1.83 0.00 0.00 0.00 175.76 174.80 2roe s GLU 63 N -3.66 0.77 0.52 0.00 -1.05 -0.64 -5.00 118.70 109.65 2roe s GLU 63 Ca 0.32 0.78 -0.18 0.00 -0.15 0.00 0.00 54.97 55.74 2roe s GLU 63 Cb 0.03 0.37 -0.07 0.00 -0.44 0.00 0.00 34.13 34.02 2roe s GLU 63 CO 0.15 -0.12 1.02 0.08 0.95 0.00 0.00 175.26 177.34 2roe s VAL 64 N 0.10 4.08 -0.50 1.83 1.01 -1.26 -0.71 120.40 124.95 2roe s VAL 64 Ca -0.01 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.16 2roe s VAL 64 Cb -0.04 -3.52 0.35 0.00 0.00 0.00 0.00 36.38 33.17 2roe s VAL 64 CO 0.00 -0.46 0.89 0.18 0.00 0.00 0.00 175.10 175.72 2roe n LEU 65 N -1.43 3.32 0.00 3.92 4.77 -0.64 -4.84 117.00 122.10 2roe n LEU 65 Ca 0.08 -5.40 0.09 0.00 -0.03 0.00 0.00 56.01 50.75 2roe n LEU 65 Cb 0.53 -0.14 0.55 0.00 -2.33 0.00 0.00 43.42 42.03 2roe n LEU 65 CO 0.43 2.31 0.75 0.00 -1.33 0.00 0.00 177.39 179.55