#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 4.08 -0.08 4.03 1.43 -0.68 -4.88 118.68 122.58 2roe s LEU 2 Ca 0.00 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2roe s LEU 2 Cb 0.00 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2roe s LEU 2 CO 0.00 -0.17 -0.16 -0.54 0.23 0.00 0.00 176.35 175.71 2roe s LYS 3 N -3.08 2.87 -0.06 1.70 1.02 -1.26 -1.74 119.74 119.18 2roe s LYS 3 Ca 0.49 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.77 2roe s LYS 3 Cb -0.11 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 2roe s LYS 3 CO 0.22 0.40 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.41 2roe s LEU 4 N -0.17 1.74 -0.30 3.17 1.43 -0.61 -1.97 118.68 121.97 2roe s LEU 4 Ca -0.01 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 52.60 2roe s LEU 4 Cb -0.14 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 2roe s LEU 4 CO 0.03 0.07 0.56 -0.75 0.23 0.00 0.00 176.35 176.49 2roe s LYS 5 N 0.44 3.88 0.26 1.70 2.20 0.41 -1.74 119.74 126.89 2roe s LYS 5 Ca -0.11 0.17 0.09 0.00 -0.36 0.00 0.00 55.97 55.77 2roe s LYS 5 Cb -0.14 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 2roe s LYS 5 CO 0.03 -0.52 0.01 0.08 -0.36 0.00 0.00 175.35 174.59 2roe s VAL 6 N 2.45 3.51 0.00 4.02 1.01 -0.13 -0.92 120.40 130.34 2roe s VAL 6 Ca 0.22 -1.87 -0.06 0.00 0.00 0.00 0.00 61.98 60.28 2roe s VAL 6 Cb -0.15 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 2roe s VAL 6 CO 0.11 -0.36 0.10 -0.70 0.00 0.00 0.00 175.10 174.26 2roe s GLU 7 N -3.65 0.42 0.00 2.72 2.12 -0.39 -4.71 118.70 115.21 2roe s GLU 7 Ca 0.31 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.26 2roe s GLU 7 Cb -0.07 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.49 2roe s GLU 7 CO 0.20 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2roe n GLY 8 N 1.64 1.02 3.60 -1.50 0.00 -1.26 -3.03 105.19 105.66 2roe n GLY 8 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.92 3.49 0.00 1.61 -1.94 -1.26 -4.80 119.30 115.48 2roe s MET 9 Ca 0.00 0.97 0.00 0.00 -1.71 0.00 0.00 55.69 54.95 2roe s MET 9 Cb 0.00 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.77 2roe s MET 9 CO 0.00 -1.67 0.16 0.25 -0.01 0.00 0.00 175.02 173.75 2roe n THR 10 N 7.13 0.00 -3.83 2.05 -2.24 -1.26 -5.00 114.28 111.14 2roe n THR 10 Ca 0.17 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 2roe n THR 10 Cb 0.48 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 2roe n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roe h ASN 12 N 2.50 0.72 -0.59 0.00 -0.73 -2.00 -0.92 115.58 114.57 2roe h ASN 12 Ca -0.32 0.03 -0.07 0.00 1.87 0.00 0.00 56.30 57.80 2roe h ASN 12 Cb 1.23 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.68 2roe h ASN 12 CO 0.48 0.40 0.10 -0.74 -0.37 0.00 0.00 177.43 177.30 2roe h HIS 13 N 0.78 1.06 -0.34 0.67 2.76 -2.00 -2.35 115.15 115.74 2roe h HIS 13 Ca 0.41 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 2roe h HIS 13 Cb 0.52 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 2roe h HIS 13 CO -0.00 0.90 0.21 0.00 -1.30 0.00 0.00 177.93 177.74 2roe h VAL 15 N 0.45 0.10 -0.78 0.00 2.07 -1.14 -1.24 116.25 115.71 2roe h VAL 15 Ca 0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.67 2roe h VAL 15 Cb -0.02 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 2roe h VAL 15 CO -0.02 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.08 2roe h MET 16 N -0.83 0.96 0.05 1.57 -0.00 -1.26 0.23 114.93 115.65 2roe h MET 16 Ca -0.03 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.70 59.61 2roe h MET 16 Cb 0.77 -0.22 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 2roe h MET 16 CO -0.14 0.63 -0.02 0.00 -0.00 0.00 0.00 176.91 177.38 2roe h ALA 17 N 1.54 -0.07 -0.47 -3.00 0.00 -0.90 -1.81 119.26 114.54 2roe h ALA 17 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2roe h ALA 17 Cb -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2roe h ALA 17 CO -0.08 -0.46 0.18 0.28 0.00 0.00 0.00 179.25 179.17 2roe h VAL 18 N -0.22 1.21 0.21 0.00 2.07 -0.90 -1.56 116.25 117.06 2roe h VAL 18 Ca -0.01 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2roe h VAL 18 Cb 0.20 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2roe h VAL 18 CO 0.01 0.25 -0.48 0.74 0.02 0.00 0.00 177.57 178.11 2roe h THR 19 N 0.62 0.07 -0.64 2.57 2.02 -0.84 -0.41 112.91 116.30 2roe h THR 19 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2roe h THR 19 Cb 0.21 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 2roe h THR 19 CO -0.01 0.00 0.33 0.50 0.37 0.00 0.00 175.52 176.71 2roe h LYS 20 N -0.78 0.89 0.00 6.66 3.64 -1.26 -1.20 116.57 124.52 2roe h LYS 20 Ca -0.01 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2roe h LYS 20 Cb 0.76 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2roe h LYS 20 CO -0.22 0.66 -0.14 0.00 -2.27 0.00 0.00 179.45 177.49 2roe h ALA 21 N 1.48 1.33 0.09 5.00 0.00 -0.63 -2.37 119.26 124.16 2roe h ALA 21 Ca 0.23 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2roe h ALA 21 Cb 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2roe h ALA 21 CO -0.03 0.17 -0.69 -0.07 0.00 0.00 0.00 179.25 178.62 2roe h LEU 22 N 0.00 0.31 -2.26 0.00 3.38 0.02 -3.33 115.31 113.42 2roe h LEU 22 Ca -0.00 -0.93 0.04 0.00 0.09 0.00 0.00 57.88 57.08 2roe h LEU 22 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2roe h LEU 22 CO 0.02 1.32 0.22 0.11 0.09 0.00 0.00 178.44 180.20 2roe h LYS 23 N -0.56 0.00 0.00 1.13 1.79 -0.89 -1.86 116.57 116.18 2roe h LYS 23 Ca -0.13 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 2roe h LYS 23 Cb 1.47 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.11 2roe h LYS 23 CO 0.08 0.00 -0.10 1.57 -1.08 0.00 0.00 179.45 179.92 2roe h LYS 24 N 0.00 0.00 -6.58 3.15 2.10 -1.55 -3.43 116.57 110.26 2roe h LYS 24 Ca 0.07 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.20 2roe h LYS 24 Cb 0.51 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 31.89 2roe h LYS 24 CO -0.00 0.10 1.04 0.08 -2.00 0.00 0.00 179.45 178.67 2roe s VAL 25 N -4.16 2.36 -0.31 0.07 1.01 -0.70 -4.90 120.40 113.76 2roe s VAL 25 Ca -0.03 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2roe s VAL 25 Cb 0.13 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2roe s VAL 25 CO 0.57 0.00 1.75 -2.16 0.00 0.00 0.00 175.10 175.26 2roe s PRO 26 N 1.91 3.43 0.00 2.72 0.04 -1.26 -1.80 135.00 140.04 2roe s PRO 26 Ca 0.77 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2roe s PRO 26 Cb -0.47 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 29.91 2roe s PRO 26 CO 0.34 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 176.05 2roe n GLY 27 N 5.28 1.12 3.48 0.56 0.00 -1.26 -4.67 105.19 109.70 2roe n GLY 27 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.26 4.49 -0.01 1.61 1.01 -0.74 -0.96 120.40 124.54 2roe s VAL 28 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 2roe s VAL 28 Cb 0.00 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 2roe s VAL 28 CO 0.00 -1.14 0.73 -0.33 0.00 0.00 0.00 175.10 174.36 2roe h GLU 29 N 9.31 -0.39 -3.99 2.72 4.39 -1.88 -3.47 114.58 121.26 2roe h GLU 29 Ca -0.27 0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.33 2roe h GLU 29 Cb 1.08 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 29.69 2roe h GLU 29 CO 1.09 -0.26 -0.35 0.21 -1.16 0.00 0.00 179.01 178.53 2roe s LYS 30 N -3.14 1.22 0.04 2.33 2.20 -1.26 -4.97 119.74 116.16 2roe s LYS 30 Ca -0.06 -1.28 -0.01 0.00 -0.36 0.00 0.00 55.97 54.26 2roe s LYS 30 Cb 0.01 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2roe s LYS 30 CO 0.18 -0.45 -0.03 0.08 -0.36 0.00 0.00 175.35 174.77 2roe s VAL 31 N -4.01 0.18 -0.17 4.02 1.01 -1.26 -2.10 120.40 118.06 2roe s VAL 31 Ca 0.22 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.68 2roe s VAL 31 Cb 0.03 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.39 2roe s VAL 31 CO 0.04 -0.82 0.05 -0.70 0.00 0.00 0.00 175.10 173.67 2roe s GLU 32 N -3.06 0.42 -0.10 2.72 2.12 -0.01 -4.98 118.70 115.81 2roe s GLU 32 Ca -0.01 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.08 2roe s GLU 32 Cb 0.02 -1.89 -0.02 0.00 0.26 0.00 0.00 34.13 32.49 2roe s GLU 32 CO -0.07 -0.62 -0.12 0.08 -0.54 0.00 0.00 175.26 173.99 2roe s VAL 33 N 1.97 3.20 -0.16 3.70 1.01 -1.26 -0.61 120.40 128.24 2roe s VAL 33 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2roe s VAL 33 Cb -0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 2roe s VAL 33 CO -0.08 0.55 -0.12 -0.55 0.00 0.00 0.00 175.10 174.90 2roe s SER 34 N -0.09 3.90 0.21 3.32 0.15 -0.73 -5.02 113.70 115.43 2roe s SER 34 Ca -0.01 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 2roe s SER 34 Cb -0.14 -1.61 0.17 0.00 -1.71 0.00 0.00 66.02 62.73 2roe s SER 34 CO 0.03 0.09 1.61 0.25 1.20 0.00 0.00 173.24 176.42 2roe h LEU 35 N 7.27 0.78 0.17 3.45 5.85 -1.95 -0.07 115.31 130.82 2roe h LEU 35 Ca -0.33 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 2roe h LEU 35 Cb 1.19 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2roe h LEU 35 CO 0.58 1.01 -0.08 1.05 -0.34 0.00 0.00 178.44 180.65 2roe h GLU 36 N 0.66 -0.22 0.00 1.25 4.11 -1.95 -3.25 114.58 115.17 2roe h GLU 36 Ca 0.08 0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.48 2roe h GLU 36 Cb 0.78 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2roe h GLU 36 CO 0.06 0.19 -0.24 0.87 0.07 0.00 0.00 179.01 179.97 2roe h LYS 37 N -0.85 0.00 -1.28 1.06 6.56 -2.00 -3.46 116.57 116.60 2roe h LYS 37 Ca -0.02 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.33 2roe h LYS 37 Cb 0.52 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.14 2roe h LYS 37 CO 0.04 0.24 -0.27 0.41 -2.06 0.00 0.00 179.45 177.81 2roe n GLY 38 N -0.65 0.36 3.53 3.86 0.00 -0.04 -4.93 105.19 107.32 2roe n GLY 38 Ca -0.02 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.04 1.78 -0.04 1.61 2.02 -1.20 -0.95 118.70 117.87 2roe s GLU 39 Ca 0.00 -1.91 0.01 0.00 0.02 0.00 0.00 54.97 53.08 2roe s GLU 39 Cb 0.00 -1.65 0.02 0.00 0.10 0.00 0.00 34.13 32.60 2roe s GLU 39 CO 0.00 0.14 -0.03 0.00 0.02 0.00 0.00 175.26 175.40 2roe s ALA 40 N -2.65 0.59 -0.11 5.21 0.00 -0.71 -1.77 121.76 122.33 2roe s ALA 40 Ca 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 2roe s ALA 40 Cb 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2roe s ALA 40 CO 0.16 -0.10 -0.02 -0.51 0.00 0.00 0.00 175.76 175.29 2roe s LEU 41 N 1.11 3.40 -0.13 0.00 2.01 0.21 -1.57 118.68 123.72 2roe s LEU 41 Ca -0.08 0.02 0.02 0.00 0.01 0.00 0.00 54.13 54.10 2roe s LEU 41 Cb -0.14 -1.79 0.01 0.00 0.01 0.00 0.00 46.19 44.28 2roe s LEU 41 CO -0.01 0.30 -0.20 -0.69 1.01 0.00 0.00 176.35 176.75 2roe s VAL 42 N -0.39 1.89 -1.06 -1.59 1.01 -0.71 -0.83 120.40 118.72 2roe s VAL 42 Ca 0.07 -0.88 0.26 0.00 0.00 0.00 0.00 61.98 61.42 2roe s VAL 42 Cb -0.12 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.65 2roe s VAL 42 CO 0.02 0.52 1.53 -0.62 0.00 0.00 0.00 175.10 176.55 2roe n GLU 43 N 4.06 0.06 0.00 2.72 1.02 -0.89 -1.69 120.64 125.92 2roe n GLU 43 Ca -0.20 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2roe n GLU 43 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2roe n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2roe n GLY 44 N 1.49 -2.42 0.00 0.62 0.00 -1.26 -4.78 105.19 98.84 2roe n GLY 44 Ca 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2roe n GLY 44 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2roe n THR 45 N -1.76 0.66 -0.94 2.61 5.66 -0.13 -4.68 114.28 115.70 2roe n THR 45 Ca 0.00 -0.72 -0.32 0.00 -3.05 0.00 0.00 64.05 59.96 2roe n THR 45 Cb 0.00 0.70 0.14 0.00 -1.55 0.00 0.00 70.33 69.62 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roe s ALA 46 N -0.66 1.73 0.49 1.79 0.00 -1.17 -4.98 121.76 118.95 2roe s ALA 46 Ca 0.00 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 2roe s ALA 46 Cb 0.00 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 2roe s ALA 46 CO 0.00 -2.42 1.09 -0.51 0.00 0.00 0.00 175.76 173.91 2roe s ASP 47 N -2.64 6.19 0.36 0.00 1.11 -1.26 -4.96 116.67 115.47 2roe s ASP 47 Ca 0.68 2.08 0.12 0.00 0.18 0.00 0.00 52.55 55.60 2roe s ASP 47 Cb -0.23 -2.58 0.68 0.00 1.07 0.00 0.00 42.92 41.86 2roe s ASP 47 CO 0.55 -0.89 1.81 1.55 1.18 0.00 0.00 175.17 179.37 2roe h PRO 48 N 1.67 0.04 0.54 8.23 0.13 -1.99 -2.48 132.00 138.13 2roe h PRO 48 Ca -0.49 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2roe h PRO 48 Cb 1.24 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2roe h PRO 48 CO 0.59 0.41 -0.26 0.87 -0.23 0.00 0.00 178.00 179.38 2roe h LYS 49 N 0.04 -0.70 -0.99 0.86 6.56 -1.99 -0.48 116.57 119.88 2roe h LYS 49 Ca 0.00 0.05 0.13 0.00 -1.06 0.00 0.00 60.65 59.77 2roe h LYS 49 Cb 0.67 0.16 -0.09 0.00 -0.57 0.00 0.00 32.23 32.40 2roe h LYS 49 CO 0.05 -0.40 0.62 0.00 -2.06 0.00 0.00 179.45 177.66 2roe h ALA 50 N -0.56 1.51 0.40 3.86 0.00 -1.93 -0.35 119.26 122.20 2roe h ALA 50 Ca -0.07 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2roe h ALA 50 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2roe h ALA 50 CO 0.12 0.18 -0.19 -0.07 0.00 0.00 0.00 179.25 179.29 2roe h LEU 51 N 0.95 -0.45 -0.57 0.00 3.38 -1.31 -2.07 115.31 115.23 2roe h LEU 51 Ca 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2roe h LEU 51 Cb 0.53 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2roe h LEU 51 CO -0.28 -0.13 0.33 1.62 0.09 0.00 0.00 178.44 180.07 2roe h VAL 52 N -0.80 1.18 -0.45 1.22 3.04 -0.62 -2.73 116.25 117.08 2roe h VAL 52 Ca -0.05 -0.41 0.04 0.00 -1.01 0.00 0.00 66.70 65.26 2roe h VAL 52 Cb 0.53 0.42 -0.04 0.00 -2.01 0.00 0.00 31.29 30.19 2roe h VAL 52 CO 0.09 0.18 0.21 -0.61 -1.01 0.00 0.00 177.57 176.43 2roe h GLN 53 N 0.77 0.41 -0.03 4.17 -0.00 -1.13 -1.30 115.11 117.99 2roe h GLN 53 Ca 0.20 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.84 2roe h GLN 53 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.39 2roe h GLN 53 CO -0.04 0.27 0.06 0.00 0.00 0.00 0.00 178.83 179.12 2roe h ALA 54 N 1.25 1.37 0.14 3.38 0.00 -1.06 -1.96 119.26 122.39 2roe h ALA 54 Ca 0.20 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 2roe h ALA 54 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2roe h ALA 54 CO -0.16 -0.08 -1.46 0.28 0.00 0.00 0.00 179.25 177.83 2roe h VAL 55 N 0.00 1.05 0.00 0.00 2.07 -1.15 -3.34 116.25 114.89 2roe h VAL 55 Ca 0.02 -2.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.06 2roe h VAL 55 Cb 0.14 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2roe h VAL 55 CO -0.00 0.76 -0.09 -0.33 0.02 0.00 0.00 177.57 177.93 2roe h GLU 56 N -0.17 0.00 0.00 1.57 5.08 -1.04 -1.89 114.58 118.13 2roe h GLU 56 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2roe h GLU 56 Cb 1.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.12 2roe h GLU 56 CO 0.11 0.09 0.00 0.93 -1.00 0.00 0.00 179.01 179.14 2roe h GLU 57 N 0.00 0.00 -0.01 2.33 4.39 -1.49 -2.21 114.58 117.58 2roe h GLU 57 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2roe h GLU 57 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2roe h GLU 57 CO 0.01 0.00 -0.54 0.39 -1.16 0.00 0.00 179.01 177.71 2roe n GLU 58 N -2.44 0.85 -0.01 2.33 -0.58 -0.71 -4.96 120.64 115.12 2roe n GLU 58 Ca 0.02 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 2roe n GLU 58 Cb 0.24 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.43 0.84 0.19 0.62 0.00 -0.83 -5.10 105.19 102.34 2roe n GLY 59 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2roe n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2roe n TYR 60 N -2.00 -3.20 -4.38 1.61 4.02 -1.19 -5.04 117.16 106.98 2roe n TYR 60 Ca 0.00 -0.09 -0.21 0.00 -0.01 0.00 0.00 57.90 57.59 2roe n TYR 60 Cb 0.00 -0.03 -0.16 0.00 -0.02 0.00 0.00 39.34 39.13 2roe n TYR 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2roe s LYS 61 N -2.36 1.03 0.18 -0.72 2.20 -1.17 -4.25 119.74 114.65 2roe s LYS 61 Ca 0.03 -0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.36 2roe s LYS 61 Cb -0.00 -0.95 -0.04 0.00 -1.51 0.00 0.00 37.83 35.33 2roe s LYS 61 CO 0.02 0.07 0.08 0.00 -0.36 0.00 0.00 175.35 175.16 2roe s ALA 62 N 0.38 1.18 -0.27 3.13 0.00 -1.26 -1.26 121.76 123.65 2roe s ALA 62 Ca -0.06 -1.63 -0.16 0.00 0.00 0.00 0.00 51.96 50.10 2roe s ALA 62 Cb -0.10 1.03 0.08 0.00 0.00 0.00 0.00 23.12 24.12 2roe s ALA 62 CO 0.01 -0.49 0.68 -2.00 0.00 0.00 0.00 175.76 173.95 2roe s GLU 63 N -4.07 0.70 0.08 0.00 2.12 -0.10 -4.98 118.70 112.46 2roe s GLU 63 Ca 0.31 1.19 -0.30 0.00 0.36 0.00 0.00 54.97 56.53 2roe s GLU 63 Cb 0.07 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.56 2roe s GLU 63 CO 0.07 -0.15 1.16 0.54 -0.54 0.00 0.00 175.26 176.35 2roe s VAL 64 N 1.52 4.08 -0.99 3.70 0.11 -1.26 -0.45 120.40 127.11 2roe s VAL 64 Ca -0.09 1.54 0.14 0.00 -2.93 0.00 0.00 61.98 60.64 2roe s VAL 64 Cb -0.05 -3.98 0.62 0.00 -1.53 0.00 0.00 36.38 31.43 2roe s VAL 64 CO -0.18 0.14 1.49 0.18 -3.33 0.00 0.00 175.10 173.40 2roe n LEU 65 N 3.66 4.24 -0.62 2.54 4.77 -0.83 -4.92 117.00 125.84 2roe n LEU 65 Ca 0.08 -2.14 0.08 0.00 -0.03 0.00 0.00 56.01 53.99 2roe n LEU 65 Cb 0.47 -0.56 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2roe n LEU 65 CO 0.55 0.65 0.50 0.00 -1.33 0.00 0.00 177.39 177.75