#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 2.73 -0.02 3.17 1.43 -0.39 -4.87 118.68 120.73 2roe s LEU 2 Ca 0.00 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 2roe s LEU 2 Cb 0.00 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.98 2roe s LEU 2 CO 0.00 -1.66 -0.03 -0.54 0.23 0.00 0.00 176.35 174.35 2roe s LYS 3 N -5.36 0.45 0.03 1.70 1.02 -1.26 -2.67 119.74 113.64 2roe s LYS 3 Ca 0.60 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 56.55 2roe s LYS 3 Cb -0.11 -0.51 -0.02 0.00 -0.52 0.00 0.00 37.83 36.67 2roe s LYS 3 CO 0.47 -0.04 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.30 2roe s LEU 4 N 0.57 2.24 -0.15 3.17 1.43 0.47 -1.87 118.68 124.53 2roe s LEU 4 Ca -0.06 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 2roe s LEU 4 Cb -0.09 -0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 2roe s LEU 4 CO -0.01 -0.25 -0.06 -0.75 0.23 0.00 0.00 176.35 175.52 2roe s LYS 5 N -1.45 3.58 0.07 1.70 2.47 -0.20 -0.70 119.74 125.20 2roe s LYS 5 Ca -0.13 -0.57 0.07 0.00 -1.56 0.00 0.00 55.97 53.78 2roe s LYS 5 Cb -0.10 -2.86 -0.04 0.00 -1.46 0.00 0.00 37.83 33.38 2roe s LYS 5 CO -0.00 0.20 -0.13 0.08 0.16 0.00 0.00 175.35 175.65 2roe s VAL 6 N 0.45 3.16 -0.13 4.02 1.01 0.26 -1.35 120.40 127.82 2roe s VAL 6 Ca -0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 2roe s VAL 6 Cb -0.15 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 33.87 2roe s VAL 6 CO 0.03 0.24 0.05 -1.61 0.00 0.00 0.00 175.10 173.81 2roe s GLU 7 N -1.80 0.33 0.00 2.72 2.02 0.78 -4.63 118.70 118.11 2roe s GLU 7 Ca 0.18 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.13 2roe s GLU 7 Cb -0.11 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2roe s GLU 7 CO 0.09 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.28 2roe n GLY 8 N 5.19 0.73 3.55 -1.39 0.00 -1.26 -2.06 105.19 109.94 2roe n GLY 8 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.85 0.00 1.61 -1.94 -1.26 -4.70 119.30 115.86 2roe s MET 9 Ca 0.00 0.05 0.06 0.00 -1.71 0.00 0.00 55.69 54.08 2roe s MET 9 Cb 0.00 -4.56 0.08 0.00 2.01 0.00 0.00 34.83 32.36 2roe s MET 9 CO 0.00 -2.65 0.83 -2.37 -0.01 0.00 0.00 175.02 170.82 2roe n THR 10 N 7.09 0.34 -3.84 2.05 5.66 -1.26 -4.90 114.28 119.42 2roe n THR 10 Ca 0.21 -0.67 -0.11 0.00 -3.05 0.00 0.00 64.05 60.43 2roe n THR 10 Cb 0.50 0.91 -0.09 0.00 -1.55 0.00 0.00 70.33 70.11 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 3.72 0.71 -0.33 0.00 2.35 -2.00 -0.94 115.58 119.09 2roe h ASN 12 Ca -0.31 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.43 2roe h ASN 12 Cb 1.19 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 2roe h ASN 12 CO 0.45 0.55 0.22 -0.74 -1.65 0.00 0.00 177.43 176.26 2roe h HIS 13 N 0.83 0.33 -0.58 1.19 2.76 -2.00 -0.98 115.15 116.71 2roe h HIS 13 Ca 0.22 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 2roe h HIS 13 Cb -0.04 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 2roe h HIS 13 CO 0.00 0.20 -0.04 0.00 -1.30 0.00 0.00 177.93 176.79 2roe h VAL 15 N 0.94 0.07 -0.53 0.00 2.07 -1.14 -1.94 116.25 115.72 2roe h VAL 15 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 2roe h VAL 15 Cb 0.60 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2roe h VAL 15 CO 0.04 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.98 2roe h MET 16 N -1.25 0.43 0.32 1.57 -0.00 -1.45 0.15 114.93 114.70 2roe h MET 16 Ca -0.13 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 2roe h MET 16 Cb 0.96 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.47 2roe h MET 16 CO 0.20 0.29 -0.15 0.00 -0.00 0.00 0.00 176.91 177.24 2roe h ALA 17 N 1.72 -0.43 -0.57 -3.00 0.00 -1.03 -1.66 119.26 114.29 2roe h ALA 17 Ca 0.23 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2roe h ALA 17 Cb 0.35 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2roe h ALA 17 CO -0.06 -0.69 -0.07 0.28 0.00 0.00 0.00 179.25 178.71 2roe h VAL 18 N -0.54 1.27 -0.40 0.00 2.07 -0.86 -2.51 116.25 115.27 2roe h VAL 18 Ca -0.04 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2roe h VAL 18 Cb 0.40 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2roe h VAL 18 CO 0.07 0.44 0.27 0.74 0.02 0.00 0.00 177.57 179.11 2roe h THR 19 N 0.94 1.10 -0.46 2.57 2.02 -0.65 0.10 112.91 118.53 2roe h THR 19 Ca 0.15 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2roe h THR 19 Cb 0.64 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2roe h THR 19 CO 0.04 0.10 0.24 0.50 0.37 0.00 0.00 175.52 176.77 2roe h LYS 20 N 0.54 0.65 -0.66 6.66 3.11 -1.21 -0.93 116.57 124.73 2roe h LYS 20 Ca 0.15 -0.08 0.01 0.00 -2.81 0.00 0.00 60.65 57.91 2roe h LYS 20 Cb -0.06 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.01 2roe h LYS 20 CO -0.03 0.53 0.44 0.00 -2.81 0.00 0.00 179.45 177.57 2roe h ALA 21 N 1.08 0.84 -0.29 5.00 0.00 -0.99 -0.99 119.26 123.92 2roe h ALA 21 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2roe h ALA 21 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2roe h ALA 21 CO -0.02 0.27 0.06 -0.07 0.00 0.00 0.00 179.25 179.48 2roe h LEU 22 N 0.90 0.38 -0.38 0.00 3.38 -0.17 -2.09 115.31 117.33 2roe h LEU 22 Ca 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2roe h LEU 22 Cb -0.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2roe h LEU 22 CO -0.05 0.40 0.00 0.11 0.09 0.00 0.00 178.44 178.99 2roe h LYS 23 N 0.41 0.00 0.00 1.13 1.57 0.06 -3.22 116.57 116.53 2roe h LYS 23 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2roe h LYS 23 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2roe h LYS 23 CO -0.00 0.00 0.00 1.57 -0.57 0.00 0.00 179.45 180.45 2roe h LYS 24 N 0.00 0.00 -6.93 3.15 2.10 -0.54 -3.46 116.57 110.89 2roe h LYS 24 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 2roe h LYS 24 Cb 0.69 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.11 2roe h LYS 24 CO 0.00 0.00 0.74 0.08 -2.00 0.00 0.00 179.45 178.27 2roe s VAL 25 N -3.28 2.21 -0.46 0.07 1.01 -1.22 -4.95 120.40 113.78 2roe s VAL 25 Ca 0.07 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 2roe s VAL 25 Cb 0.09 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2roe s VAL 25 CO 0.57 0.05 1.37 -2.16 0.00 0.00 0.00 175.10 174.94 2roe s PRO 26 N -2.02 3.52 0.00 2.72 0.04 -1.26 -3.09 135.00 134.90 2roe s PRO 26 Ca 0.52 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2roe s PRO 26 Cb -0.45 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2roe s PRO 26 CO 0.61 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 176.41 2roe n GLY 27 N 5.10 1.15 3.87 0.56 0.00 -1.26 -4.58 105.19 110.03 2roe n GLY 27 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2roe n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roe s VAL 28 N -1.71 4.73 0.11 1.61 0.11 -1.18 -0.30 120.40 123.77 2roe s VAL 28 Ca 0.00 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 59.86 2roe s VAL 28 Cb 0.00 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 2roe s VAL 28 CO 0.00 -1.09 0.00 -0.62 -3.33 0.00 0.00 175.10 170.06 2roe n GLU 29 N -2.62 0.00 -4.23 1.54 -0.58 -1.26 -4.88 120.64 108.61 2roe n GLU 29 Ca 0.05 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.66 2roe n GLU 29 Cb 0.54 -0.12 -0.10 0.00 -0.57 0.00 0.00 31.44 31.19 2roe n GLU 29 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2roe s LYS 30 N -1.54 1.01 -0.00 3.49 2.20 -1.26 -4.95 119.74 118.68 2roe s LYS 30 Ca 0.00 -1.42 0.01 0.00 -0.36 0.00 0.00 55.97 54.20 2roe s LYS 30 Cb 0.00 -0.53 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 2roe s LYS 30 CO 0.00 0.05 -0.02 0.08 -0.36 0.00 0.00 175.35 175.11 2roe s VAL 31 N -3.38 0.14 -0.25 4.02 1.01 -1.26 -1.96 120.40 118.72 2roe s VAL 31 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 2roe s VAL 31 Cb 0.03 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.35 2roe s VAL 31 CO -0.01 0.05 0.01 -0.70 0.00 0.00 0.00 175.10 174.45 2roe s GLU 32 N 0.05 1.20 0.20 2.72 2.56 -0.03 -4.95 118.70 120.45 2roe s GLU 32 Ca -0.00 -0.97 0.11 0.00 0.00 0.00 0.00 54.97 54.12 2roe s GLU 32 Cb -0.02 -2.41 -0.04 0.00 2.00 0.00 0.00 34.13 33.66 2roe s GLU 32 CO -0.00 -0.72 -0.24 0.08 -0.56 0.00 0.00 175.26 173.82 2roe s VAL 33 N 1.50 2.35 -0.06 3.70 1.01 -1.26 -0.66 120.40 126.98 2roe s VAL 33 Ca 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 61.98 59.95 2roe s VAL 33 Cb -0.18 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.08 2roe s VAL 33 CO -0.11 -0.14 -0.11 -0.55 0.00 0.00 0.00 175.10 174.20 2roe s SER 34 N -2.72 1.67 0.13 3.32 0.15 -0.94 -5.01 113.70 110.31 2roe s SER 34 Ca 0.21 -0.27 -0.14 0.00 0.70 0.00 0.00 55.95 56.45 2roe s SER 34 Cb -0.08 -0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 63.45 2roe s SER 34 CO 0.10 0.01 1.59 0.25 1.20 0.00 0.00 173.24 176.39 2roe h LEU 35 N 7.07 0.73 -0.05 3.45 5.85 -1.92 -1.74 115.31 128.70 2roe h LEU 35 Ca -0.32 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.06 2roe h LEU 35 Cb 1.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2roe h LEU 35 CO 0.47 0.85 -0.14 1.05 -0.34 0.00 0.00 178.44 180.33 2roe h GLU 36 N 0.58 0.18 0.00 1.25 4.11 -1.97 -3.32 114.58 115.41 2roe h GLU 36 Ca 0.12 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2roe h GLU 36 Cb 0.47 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2roe h GLU 36 CO 0.02 0.74 -0.05 0.87 0.07 0.00 0.00 179.01 180.66 2roe h LYS 37 N -0.36 0.00 -3.87 1.06 1.57 -2.00 -3.47 116.57 109.51 2roe h LYS 37 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2roe h LYS 37 Cb 0.75 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.12 2roe h LYS 37 CO 0.03 0.05 -0.51 0.41 -0.57 0.00 0.00 179.45 178.86 2roe n GLY 38 N 0.78 -0.31 3.09 3.86 0.00 -0.65 -4.93 105.19 107.02 2roe n GLY 38 Ca 0.03 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.54 1.29 -0.04 1.61 2.02 -1.25 -0.58 118.70 116.22 2roe s GLU 39 Ca 0.27 -0.48 0.05 0.00 0.02 0.00 0.00 54.97 54.83 2roe s GLU 39 Cb -0.12 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 32.91 2roe s GLU 39 CO 0.33 0.24 -0.20 0.00 0.02 0.00 0.00 175.26 175.65 2roe s ALA 40 N -0.08 1.73 0.17 5.21 0.00 0.12 -2.20 121.76 126.71 2roe s ALA 40 Ca 0.00 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.22 2roe s ALA 40 Cb -0.08 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2roe s ALA 40 CO 0.01 0.35 -0.19 -0.51 0.00 0.00 0.00 175.76 175.42 2roe s LEU 41 N -0.17 2.45 -0.10 0.00 1.02 0.17 -0.40 118.68 121.65 2roe s LEU 41 Ca -0.00 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.28 2roe s LEU 41 Cb -0.11 -0.86 0.02 0.00 0.02 0.00 0.00 46.19 45.26 2roe s LEU 41 CO 0.02 -0.02 -0.09 -0.69 0.02 0.00 0.00 176.35 175.59 2roe s VAL 42 N -2.06 1.06 -0.49 -1.59 1.01 -1.09 -0.85 120.40 116.38 2roe s VAL 42 Ca 0.17 -0.33 0.24 0.00 0.00 0.00 0.00 61.98 62.05 2roe s VAL 42 Cb -0.06 -1.05 0.28 0.00 0.00 0.00 0.00 36.38 35.56 2roe s VAL 42 CO 0.07 0.37 1.58 -0.08 0.00 0.00 0.00 175.10 177.03 2roe h GLU 43 N 7.92 0.00 0.00 2.72 4.81 -1.73 -1.02 114.58 127.28 2roe h GLU 43 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2roe h GLU 43 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2roe h GLU 43 CO 0.43 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.12 2roe n GLY 44 N 1.16 -1.56 0.84 1.92 0.00 -1.26 -4.73 105.19 101.56 2roe n GLY 44 Ca 0.04 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.56 2roe n GLY 44 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2roe n THR 45 N -1.93 0.57 -1.59 2.61 -2.24 0.59 -4.77 114.28 107.53 2roe n THR 45 Ca 0.00 -0.79 -0.39 0.00 -2.27 0.00 0.00 64.05 60.60 2roe n THR 45 Cb 0.00 0.86 0.04 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.00 -0.05 -1.78 6.98 0.00 -0.65 -4.91 120.51 121.10 2roe n ALA 46 Ca 0.14 0.07 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 2roe n ALA 46 Cb 0.48 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 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 -1.07 6.62 0.27 0.00 1.11 -1.26 -4.94 116.67 117.39 2roe s ASP 47 Ca 0.70 2.03 -0.05 0.00 0.18 0.00 0.00 52.55 55.42 2roe s ASP 47 Cb -0.47 -2.58 0.33 0.00 1.07 0.00 0.00 42.92 41.27 2roe s ASP 47 CO 0.52 -0.59 1.94 1.55 1.18 0.00 0.00 175.17 179.77 2roe h PRO 48 N 2.25 1.24 -0.80 8.23 0.13 -1.99 -2.18 132.00 138.88 2roe h PRO 48 Ca -0.49 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 2roe h PRO 48 Cb 1.22 -0.28 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 2roe h PRO 48 CO 0.61 0.82 0.53 1.57 -0.23 0.00 0.00 178.00 181.30 2roe h LYS 49 N 1.28 1.06 -0.25 0.86 2.10 -1.99 -0.33 116.57 119.30 2roe h LYS 49 Ca 0.35 -0.07 -0.06 0.00 -2.00 0.00 0.00 60.65 58.87 2roe h LYS 49 Cb -0.15 -0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 30.93 2roe h LYS 49 CO -0.07 0.71 -0.11 0.00 -2.00 0.00 0.00 179.45 177.97 2roe h ALA 50 N 1.29 1.35 -0.03 0.07 0.00 -1.80 -1.07 119.26 119.06 2roe h ALA 50 Ca 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2roe h ALA 50 Cb -0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2roe h ALA 50 CO -0.06 0.44 -0.02 -0.07 0.00 0.00 0.00 179.25 179.54 2roe h LEU 51 N 0.39 0.06 -0.31 0.00 3.38 -0.82 -1.78 115.31 116.23 2roe h LEU 51 Ca 0.08 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.66 2roe h LEU 51 Cb 0.43 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2roe h LEU 51 CO 0.02 0.50 -0.00 0.58 0.09 0.00 0.00 178.44 179.63 2roe h VAL 52 N -0.37 0.77 -0.30 1.22 2.07 -0.91 -2.26 116.25 116.48 2roe h VAL 52 Ca 0.01 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2roe h VAL 52 Cb 0.47 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2roe h VAL 52 CO 0.01 0.02 -0.31 -0.61 0.02 0.00 0.00 177.57 176.69 2roe h GLN 53 N 0.09 -0.28 -0.89 1.57 5.75 -1.15 -0.37 115.11 119.83 2roe h GLN 53 Ca 0.15 0.02 0.20 0.00 -0.15 0.00 0.00 58.65 58.87 2roe h GLN 53 Cb 0.20 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.75 2roe h GLN 53 CO -0.25 -0.19 0.59 0.00 -2.65 0.00 0.00 178.83 176.33 2roe h ALA 54 N 0.67 2.20 0.16 3.38 0.00 -0.71 0.24 119.26 125.21 2roe h ALA 54 Ca 0.15 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 2roe h ALA 54 Cb 0.53 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.32 2roe h ALA 54 CO -0.46 -0.48 -1.07 0.28 0.00 0.00 0.00 179.25 177.52 2roe h VAL 55 N 0.41 1.40 -0.99 0.00 2.07 -1.05 -3.31 116.25 114.78 2roe h VAL 55 Ca 0.46 -2.54 0.01 0.00 0.82 0.00 0.00 66.70 65.45 2roe h VAL 55 Cb 1.15 3.04 -0.05 0.00 -1.52 0.00 0.00 31.29 33.91 2roe h VAL 55 CO -0.17 0.74 0.64 -0.33 0.02 0.00 0.00 177.57 178.47 2roe h GLU 56 N -0.10 1.31 0.00 1.57 4.39 0.11 -1.83 114.58 120.04 2roe h GLU 56 Ca -0.18 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2roe h GLU 56 Cb 1.82 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2roe h GLU 56 CO 0.20 0.88 0.00 0.39 -1.16 0.00 0.00 179.01 179.32 2roe n GLU 57 N -4.38 0.27 -0.04 2.33 -0.58 0.73 -1.36 120.64 117.61 2roe n GLU 57 Ca 0.12 0.11 0.06 0.00 -0.42 0.00 0.00 57.16 57.02 2roe n GLU 57 Cb 0.02 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.46 2roe n GLU 57 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2roe n GLU 58 N -1.21 1.07 -1.06 3.49 -0.58 -0.72 -4.99 120.64 116.65 2roe n GLU 58 Ca 0.08 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.45 2roe n GLU 58 Cb 0.10 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.61 0.51 3.88 0.62 0.00 -0.47 -5.07 105.19 105.27 2roe n GLY 59 Ca 0.08 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 2.70 -0.22 1.61 1.51 -1.04 -5.03 117.35 114.88 2roe s TYR 60 Ca 0.00 -0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 55.52 2roe s TYR 60 Cb 0.00 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2roe s TYR 60 CO 0.00 -0.12 -0.01 0.15 -1.11 0.00 0.00 175.55 174.46 2roe s LYS 61 N -4.13 3.49 0.11 -0.62 -0.14 -0.88 -4.02 119.74 113.55 2roe s LYS 61 Ca 0.48 -0.57 0.07 0.00 -1.36 0.00 0.00 55.97 54.59 2roe s LYS 61 Cb -0.03 -3.09 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 2roe s LYS 61 CO 0.28 -0.14 -0.17 0.00 -0.76 0.00 0.00 175.35 174.55 2roe s ALA 62 N 1.39 1.58 -0.08 5.17 0.00 -1.26 -0.16 121.76 128.40 2roe s ALA 62 Ca 0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 2roe s ALA 62 Cb -0.15 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2roe s ALA 62 CO -0.00 0.23 0.17 -1.83 0.00 0.00 0.00 175.76 174.32 2roe s GLU 63 N -2.15 0.08 0.65 0.00 -1.05 -0.46 -4.99 118.70 110.79 2roe s GLU 63 Ca 0.06 0.47 -0.16 0.00 -0.15 0.00 0.00 54.97 55.19 2roe s GLU 63 Cb -0.08 -0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.40 2roe s GLU 63 CO 0.04 -0.22 1.15 0.54 0.95 0.00 0.00 175.26 177.72 2roe s VAL 64 N 1.65 2.90 -0.26 1.83 0.11 -1.26 -1.03 120.40 124.34 2roe s VAL 64 Ca -0.04 0.47 0.16 0.00 -2.93 0.00 0.00 61.98 59.64 2roe s VAL 64 Cb -0.12 -3.05 0.50 0.00 -1.53 0.00 0.00 36.38 32.18 2roe s VAL 64 CO -0.06 -0.21 1.39 0.18 -3.33 0.00 0.00 175.10 173.07 2roe n LEU 65 N -2.17 3.73 0.00 2.54 4.77 -0.78 -4.86 117.00 120.22 2roe n LEU 65 Ca 0.12 -2.91 0.10 0.00 -0.03 0.00 0.00 56.01 53.29 2roe n LEU 65 Cb 0.51 -0.50 0.57 0.00 -2.33 0.00 0.00 43.42 41.67 2roe n LEU 65 CO 0.46 0.68 0.77 0.00 -1.33 0.00 0.00 177.39 177.97