#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 4.35 -0.09 -0.89 1.43 -0.60 -4.76 118.68 118.12 2roe s LEU 2 Ca 0.00 2.94 0.01 0.00 -1.03 0.00 0.00 54.13 56.04 2roe s LEU 2 Cb 0.00 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 2roe s LEU 2 CO 0.00 -0.78 -0.09 -0.54 0.23 0.00 0.00 176.35 175.16 2roe s LYS 3 N -1.84 2.96 0.08 1.70 1.02 -1.26 -0.71 119.74 121.68 2roe s LYS 3 Ca 0.53 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.92 2roe s LYS 3 Cb -0.45 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2roe s LYS 3 CO 0.59 0.50 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.96 2roe s LEU 4 N -0.38 2.50 -0.11 3.17 1.43 -0.08 -1.53 118.68 123.68 2roe s LEU 4 Ca 0.05 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.16 2roe s LEU 4 Cb -0.12 0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.17 2roe s LEU 4 CO 0.02 -0.53 -0.11 -0.75 0.23 0.00 0.00 176.35 175.22 2roe s LYS 5 N -3.86 1.81 -0.06 1.70 2.20 0.31 -2.01 119.74 119.83 2roe s LYS 5 Ca 0.09 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 2roe s LYS 5 Cb 0.06 -1.68 -0.02 0.00 -1.51 0.00 0.00 37.83 34.68 2roe s LYS 5 CO -0.07 -0.16 -0.18 0.08 -0.36 0.00 0.00 175.35 174.66 2roe s VAL 6 N 1.31 2.74 0.11 4.02 1.01 -0.08 -1.08 120.40 128.43 2roe s VAL 6 Ca -0.01 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.24 2roe s VAL 6 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2roe s VAL 6 CO -0.05 0.58 -0.27 -0.70 0.00 0.00 0.00 175.10 174.66 2roe s GLU 7 N -0.45 1.48 0.00 2.72 2.56 0.57 -4.66 118.70 120.93 2roe s GLU 7 Ca 0.05 -1.30 0.00 0.00 0.00 0.00 0.00 54.97 53.73 2roe s GLU 7 Cb -0.12 -1.91 0.00 0.00 2.00 0.00 0.00 34.13 34.10 2roe s GLU 7 CO 0.02 0.46 0.00 0.41 -0.56 0.00 0.00 175.26 175.59 2roe n GLY 8 N 1.10 1.20 3.76 -1.50 0.00 -1.26 -1.52 105.19 106.97 2roe n GLY 8 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.84 3.54 0.00 1.61 -1.94 -1.26 -4.93 119.30 115.47 2roe s MET 9 Ca 0.00 1.97 0.00 0.00 -1.71 0.00 0.00 55.69 55.95 2roe s MET 9 Cb 0.00 -2.37 0.00 0.00 2.01 0.00 0.00 34.83 34.47 2roe s MET 9 CO 0.00 -0.79 0.00 0.25 -0.01 0.00 0.00 175.02 174.47 2roe n THR 10 N -0.65 0.00 -4.25 2.05 -2.24 -1.26 -5.08 114.28 102.85 2roe n THR 10 Ca 0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.67 2roe n THR 10 Cb 0.47 -0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 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 2.10 0.52 -0.89 0.00 -0.73 -2.01 -0.73 115.58 113.84 2roe h ASN 12 Ca -0.25 0.04 0.19 0.00 1.87 0.00 0.00 56.30 58.16 2roe h ASN 12 Cb 1.23 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 39.70 2roe h ASN 12 CO 0.36 0.23 0.59 0.45 -0.37 0.00 0.00 177.43 178.69 2roe h HIS 13 N 0.53 0.57 0.16 0.67 3.86 -1.99 0.13 115.15 119.09 2roe h HIS 13 Ca 0.46 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.68 2roe h HIS 13 Cb 0.95 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.24 2roe h HIS 13 CO -0.00 0.16 -0.07 0.00 0.86 0.00 0.00 177.93 178.87 2roe h VAL 15 N -0.94 0.39 -0.49 0.00 2.07 -1.22 -0.79 116.25 115.28 2roe h VAL 15 Ca -0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2roe h VAL 15 Cb 0.48 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2roe h VAL 15 CO 0.04 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.60 2roe h MET 16 N -0.12 0.84 0.31 1.57 3.00 -0.91 0.53 114.93 120.16 2roe h MET 16 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 59.70 59.65 2roe h MET 16 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 31.60 31.96 2roe h MET 16 CO -0.51 0.86 -0.15 0.00 0.00 0.00 0.00 176.91 177.11 2roe h ALA 17 N 1.19 -0.42 -0.34 -3.00 0.00 -1.05 -1.63 119.26 114.00 2roe h ALA 17 Ca 0.14 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2roe h ALA 17 Cb 0.50 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2roe h ALA 17 CO 0.03 -0.66 0.04 0.28 0.00 0.00 0.00 179.25 178.94 2roe h VAL 18 N -0.58 0.80 0.34 0.00 2.07 -1.09 0.44 116.25 118.23 2roe h VAL 18 Ca -0.04 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2roe h VAL 18 Cb 0.42 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2roe h VAL 18 CO 0.07 0.03 -0.43 0.74 0.02 0.00 0.00 177.57 178.00 2roe h THR 19 N 0.15 0.00 0.00 2.57 2.02 -0.79 -0.49 112.91 116.37 2roe h THR 19 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 2roe h THR 19 Cb 0.20 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2roe h THR 19 CO -0.24 0.00 -0.14 0.11 0.37 0.00 0.00 175.52 175.62 2roe h LYS 20 N -0.79 0.00 -0.18 6.66 1.79 -1.09 -2.59 116.57 120.36 2roe h LYS 20 Ca -0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 2roe h LYS 20 Cb 0.71 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2roe h LYS 20 CO -0.10 0.14 -0.20 0.00 -1.08 0.00 0.00 179.45 178.21 2roe h ALA 21 N 1.86 0.27 -0.30 3.86 0.00 -0.42 -2.86 119.26 121.66 2roe h ALA 21 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2roe h ALA 21 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2roe h ALA 21 CO 0.02 0.20 0.20 -0.07 0.00 0.00 0.00 179.25 179.61 2roe h LEU 22 N 0.11 0.24 -0.51 0.00 3.38 -0.75 -0.64 115.31 117.14 2roe h LEU 22 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2roe h LEU 22 Cb 0.75 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2roe h LEU 22 CO 0.05 0.16 0.00 0.29 0.09 0.00 0.00 178.44 179.03 2roe n LYS 23 N -4.49 0.15 0.00 1.13 5.02 -1.01 -2.71 118.16 116.25 2roe n LYS 23 Ca 0.03 0.38 0.13 0.00 -2.02 0.00 0.00 58.31 56.83 2roe n LYS 23 Cb 0.18 -1.78 0.65 0.00 -0.02 0.00 0.00 35.03 34.06 2roe n LYS 23 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2roe n LYS 24 N -2.05 0.24 -2.64 1.97 5.02 -0.25 -4.83 118.16 115.62 2roe n LYS 24 Ca 0.03 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 2roe n LYS 24 Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 2roe n LYS 24 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2roe s VAL 25 N -2.75 4.66 -0.39 -0.18 1.01 -1.10 -4.99 120.40 116.67 2roe s VAL 25 Ca 0.21 1.92 -0.28 0.00 0.00 0.00 0.00 61.98 63.84 2roe s VAL 25 Cb 0.18 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2roe s VAL 25 CO 0.45 0.07 1.90 -2.16 0.00 0.00 0.00 175.10 175.36 2roe s PRO 26 N 1.59 3.07 0.00 2.72 0.04 -1.26 -2.25 135.00 138.90 2roe s PRO 26 Ca 0.52 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2roe s PRO 26 Cb -0.21 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.04 2roe s PRO 26 CO 0.23 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.51 2roe n GLY 27 N 5.56 1.13 3.79 0.56 0.00 -1.26 -4.57 105.19 110.40 2roe n GLY 27 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.31 4.10 0.05 1.61 0.11 -0.96 -0.29 120.40 123.72 2roe s VAL 28 Ca 0.00 1.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.65 2roe s VAL 28 Cb 0.00 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 2roe s VAL 28 CO 0.00 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 171.15 2roe n GLU 29 N 0.11 0.00 -4.20 1.54 -0.58 -1.26 -4.91 120.64 111.34 2roe n GLU 29 Ca 0.04 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.61 2roe n GLU 29 Cb 0.51 -0.38 -0.13 0.00 -0.57 0.00 0.00 31.44 30.88 2roe n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2roe s LYS 30 N -2.00 0.73 0.04 3.49 1.02 -1.26 -4.93 119.74 116.83 2roe s LYS 30 Ca 0.00 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.17 2roe s LYS 30 Cb 0.00 -0.66 -0.01 0.00 -0.52 0.00 0.00 37.83 36.64 2roe s LYS 30 CO 0.00 0.15 0.14 0.14 -0.92 0.00 0.00 175.35 174.86 2roe s VAL 31 N -1.04 0.13 -0.07 3.17 -7.23 -1.26 -0.95 120.40 113.15 2roe s VAL 31 Ca -0.03 -1.04 -0.06 0.00 -1.81 0.00 0.00 61.98 59.04 2roe s VAL 31 Cb -0.08 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 35.93 2roe s VAL 31 CO 0.01 -0.58 0.19 -0.70 -0.31 0.00 0.00 175.10 173.71 2roe s GLU 32 N -2.72 0.21 -0.00 4.82 2.56 0.10 -4.99 118.70 118.67 2roe s GLU 32 Ca -0.04 0.29 0.02 0.00 0.00 0.00 0.00 54.97 55.24 2roe s GLU 32 Cb -0.00 0.06 -0.01 0.00 2.00 0.00 0.00 34.13 36.18 2roe s GLU 32 CO -0.05 -0.05 -0.06 0.08 -0.56 0.00 0.00 175.26 174.62 2roe s VAL 33 N 0.30 0.48 -0.14 3.70 1.01 -1.26 -0.78 120.40 123.71 2roe s VAL 33 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2roe s VAL 33 Cb -0.03 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.97 2roe s VAL 33 CO -0.01 0.09 -0.04 -0.44 0.00 0.00 0.00 175.10 174.70 2roe s SER 34 N -0.26 2.46 0.07 3.32 0.01 -0.48 -5.01 113.70 113.82 2roe s SER 34 Ca 0.01 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 2roe s SER 34 Cb -0.03 -0.79 -0.18 0.00 0.21 0.00 0.00 66.02 65.24 2roe s SER 34 CO -0.00 -0.18 1.65 0.25 0.41 0.00 0.00 173.24 175.37 2roe h LEU 35 N 8.18 -0.53 -1.17 2.44 5.85 -1.96 -0.03 115.31 128.10 2roe h LEU 35 Ca -0.24 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.57 2roe h LEU 35 Cb 1.12 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 2roe h LEU 35 CO 0.37 -0.37 0.58 1.05 -0.34 0.00 0.00 178.44 179.73 2roe h GLU 36 N -0.63 0.95 0.00 1.25 4.11 -1.97 -2.34 114.58 115.94 2roe h GLU 36 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2roe h GLU 36 Cb 0.48 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2roe h GLU 36 CO 0.10 0.63 -0.48 0.87 0.07 0.00 0.00 179.01 180.21 2roe h LYS 37 N 0.98 0.00 -1.85 1.06 1.79 -1.97 -3.47 116.57 113.11 2roe h LYS 37 Ca 0.40 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.49 2roe h LYS 37 Cb 0.27 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.84 2roe h LYS 37 CO -0.16 0.00 -0.41 0.41 -1.08 0.00 0.00 179.45 178.21 2roe n GLY 38 N 1.22 0.59 3.29 3.86 0.00 -0.03 -4.98 105.19 109.14 2roe n GLY 38 Ca 0.03 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.31 1.17 -0.06 1.61 2.02 -1.19 -0.91 118.70 117.03 2roe s GLU 39 Ca 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.65 2roe s GLU 39 Cb 0.00 -1.15 0.02 0.00 0.10 0.00 0.00 34.13 33.10 2roe s GLU 39 CO 0.00 0.23 -0.04 0.00 0.02 0.00 0.00 175.26 175.46 2roe s ALA 40 N -2.11 0.83 -0.06 5.21 0.00 -0.85 -1.38 121.76 123.41 2roe s ALA 40 Ca 0.13 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2roe s ALA 40 Cb -0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2roe s ALA 40 CO 0.05 -0.18 -0.13 -0.51 0.00 0.00 0.00 175.76 174.99 2roe s LEU 41 N 1.28 2.79 0.08 0.00 2.01 0.04 -0.90 118.68 123.97 2roe s LEU 41 Ca -0.05 -0.19 0.09 0.00 0.01 0.00 0.00 54.13 54.00 2roe s LEU 41 Cb -0.14 -1.58 -0.03 0.00 0.01 0.00 0.00 46.19 44.45 2roe s LEU 41 CO -0.02 0.33 -0.24 -0.69 1.01 0.00 0.00 176.35 176.74 2roe s VAL 42 N -0.62 2.38 -0.09 -1.59 1.01 0.11 -0.73 120.40 120.88 2roe s VAL 42 Ca 0.09 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.62 2roe s VAL 42 Cb -0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2roe s VAL 42 CO 0.01 0.25 0.09 -0.62 0.00 0.00 0.00 175.10 174.83 2roe n GLU 43 N 1.37 4.97 -0.56 2.72 -0.58 -0.12 -1.56 120.64 126.89 2roe n GLU 43 Ca -0.17 -0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.47 2roe n GLU 43 Cb 0.52 -0.70 0.08 0.00 -0.57 0.00 0.00 31.44 30.77 2roe n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2roe n GLY 44 N 1.32 -1.68 1.17 0.62 0.00 -1.22 -4.77 105.19 100.64 2roe n GLY 44 Ca 0.00 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.85 0.73 -1.59 2.61 -2.24 0.60 -4.78 114.28 106.76 2roe n THR 45 Ca 0.06 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 2roe n THR 45 Cb 0.20 0.61 0.01 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.41 -0.08 -1.78 6.98 0.00 -1.08 -4.86 120.51 121.11 2roe n ALA 46 Ca 0.21 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 2roe n ALA 46 Cb 0.57 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 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 -0.77 5.89 0.07 0.00 1.11 -1.26 -4.96 116.67 116.74 2roe s ASP 47 Ca 0.63 2.16 -0.25 0.00 0.18 0.00 0.00 52.55 55.27 2roe s ASP 47 Cb -0.57 -2.58 -0.16 0.00 1.07 0.00 0.00 42.92 40.68 2roe s ASP 47 CO 0.57 -1.10 1.64 1.55 1.18 0.00 0.00 175.17 179.01 2roe h PRO 48 N 1.39 -0.18 -0.80 8.23 0.13 -2.01 -2.79 132.00 135.97 2roe h PRO 48 Ca -0.50 0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.80 2roe h PRO 48 Cb 1.25 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.37 2roe h PRO 48 CO 0.58 -0.06 0.53 1.57 -0.23 0.00 0.00 178.00 180.39 2roe h LYS 49 N -0.25 0.46 -0.01 0.86 2.10 -2.01 -1.54 116.57 116.18 2roe h LYS 49 Ca -0.02 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.43 2roe h LYS 49 Cb 0.20 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 2roe h LYS 49 CO 0.03 0.30 -0.79 0.00 -2.00 0.00 0.00 179.45 176.99 2roe h ALA 50 N 1.63 0.66 0.02 0.07 0.00 -1.90 -2.51 119.26 117.24 2roe h ALA 50 Ca 0.40 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2roe h ALA 50 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2roe h ALA 50 CO -0.14 0.91 -0.01 -0.07 0.00 0.00 0.00 179.25 179.94 2roe h LEU 51 N 0.06 -0.02 -0.49 0.00 3.38 -1.03 -1.93 115.31 115.28 2roe h LEU 51 Ca -0.02 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2roe h LEU 51 Cb 1.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 2roe h LEU 51 CO 0.11 0.42 0.27 1.62 0.09 0.00 0.00 178.44 180.96 2roe h VAL 52 N -0.47 1.17 -0.56 1.22 3.04 -1.60 -2.88 116.25 116.17 2roe h VAL 52 Ca -0.00 -0.43 0.11 0.00 -1.01 0.00 0.00 66.70 65.37 2roe h VAL 52 Cb 0.45 0.56 -0.11 0.00 -2.01 0.00 0.00 31.29 30.18 2roe h VAL 52 CO 0.00 0.18 -0.12 -0.61 -1.01 0.00 0.00 177.57 176.01 2roe h GLN 53 N 0.65 0.02 0.00 4.17 5.75 -1.38 0.28 115.11 124.60 2roe h GLN 53 Ca 0.17 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2roe h GLN 53 Cb 0.05 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 2roe h GLN 53 CO -0.03 0.01 -0.10 0.00 -2.65 0.00 0.00 178.83 176.06 2roe h ALA 54 N 1.55 1.63 0.02 3.38 0.00 -1.13 -2.80 119.26 121.92 2roe h ALA 54 Ca 0.27 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 2roe h ALA 54 Cb 0.42 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2roe h ALA 54 CO -0.56 0.13 -1.65 0.28 0.00 0.00 0.00 179.25 177.44 2roe h VAL 55 N 0.00 0.93 -0.26 0.00 2.07 -0.90 -3.30 116.25 114.79 2roe h VAL 55 Ca -0.00 -2.74 -0.02 0.00 0.82 0.00 0.00 66.70 64.76 2roe h VAL 55 Cb 0.21 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2roe h VAL 55 CO 0.01 0.60 0.09 -0.33 0.02 0.00 0.00 177.57 177.97 2roe h GLU 56 N 0.01 0.36 0.00 1.57 4.39 -0.94 -0.40 114.58 119.57 2roe h GLU 56 Ca -0.27 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2roe h GLU 56 Cb 1.99 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 2roe h GLU 56 CO 0.09 0.31 0.00 0.39 -1.16 0.00 0.00 179.01 178.65 2roe n GLU 57 N -4.42 0.72 -0.00 2.33 -0.58 -1.07 -2.94 120.64 114.68 2roe n GLU 57 Ca 0.01 0.01 0.08 0.00 -0.42 0.00 0.00 57.16 56.84 2roe n GLU 57 Cb 0.14 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.05 1.40 -0.19 3.49 -0.58 -0.16 -4.99 120.64 118.55 2roe n GLU 58 Ca 0.18 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2roe n GLU 58 Cb 0.11 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 1.40 1.34 3.37 0.62 0.00 -1.15 -5.03 105.19 105.74 2roe n GLY 59 Ca 0.03 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 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 1.80 -0.46 1.61 2.02 -1.21 -5.00 117.35 114.10 2roe s TYR 60 Ca 0.00 -0.60 -0.16 0.00 -0.37 0.00 0.00 57.07 55.94 2roe s TYR 60 Cb 0.00 -0.89 0.06 0.00 -0.40 0.00 0.00 41.96 40.73 2roe s TYR 60 CO 0.00 0.35 0.42 0.21 -1.57 0.00 0.00 175.55 174.96 2roe s LYS 61 N -3.67 3.01 0.17 -0.62 2.47 -0.58 -3.93 119.74 116.60 2roe s LYS 61 Ca 0.25 -1.17 0.05 0.00 -1.56 0.00 0.00 55.97 53.53 2roe s LYS 61 Cb 0.00 -4.09 -0.04 0.00 -1.46 0.00 0.00 37.83 32.25 2roe s LYS 61 CO 0.09 -1.00 0.18 0.00 0.16 0.00 0.00 175.35 174.77 2roe s ALA 62 N 1.86 3.66 -0.20 3.13 0.00 -1.26 -0.31 121.76 128.64 2roe s ALA 62 Ca 0.07 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 2roe s ALA 62 Cb -0.22 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.50 2roe s ALA 62 CO 0.09 0.48 0.50 -2.00 0.00 0.00 0.00 175.76 174.83 2roe s GLU 63 N -3.21 0.52 -0.10 0.00 2.12 -0.24 -4.95 118.70 112.84 2roe s GLU 63 Ca 0.32 0.85 -0.21 0.00 0.36 0.00 0.00 54.97 56.30 2roe s GLU 63 Cb -0.10 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 2roe s GLU 63 CO 0.25 -0.13 0.58 0.08 -0.54 0.00 0.00 175.26 175.50 2roe s VAL 64 N 1.08 5.12 -0.36 3.70 1.01 -1.26 -0.53 120.40 129.16 2roe s VAL 64 Ca -0.07 1.17 0.06 0.00 0.00 0.00 0.00 61.98 63.15 2roe s VAL 64 Cb -0.06 -3.92 0.53 0.00 0.00 0.00 0.00 36.38 32.93 2roe s VAL 64 CO -0.10 0.29 1.58 0.18 0.00 0.00 0.00 175.10 177.06 2roe n LEU 65 N 3.73 5.09 -0.92 3.92 4.77 -0.58 -4.98 117.00 128.03 2roe n LEU 65 Ca -0.04 -3.92 0.11 0.00 -0.03 0.00 0.00 56.01 52.13 2roe n LEU 65 Cb 0.51 -0.68 0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2roe n LEU 65 CO 0.45 1.35 0.61 0.00 -1.33 0.00 0.00 177.39 178.47