#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 3.92 -0.04 -0.89 1.43 -1.19 -4.82 118.68 117.08 2roe s LEU 2 Ca 0.00 2.25 0.07 0.00 -1.03 0.00 0.00 54.13 55.41 2roe s LEU 2 Cb 0.00 -4.36 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 2roe s LEU 2 CO 0.00 -1.01 -0.24 -0.75 0.23 0.00 0.00 176.35 174.58 2roe s LYS 3 N -2.91 2.31 0.10 1.70 2.20 -1.26 -2.09 119.74 119.79 2roe s LYS 3 Ca 0.67 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2roe s LYS 3 Cb -0.27 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 2roe s LYS 3 CO 0.32 0.42 -0.09 -0.51 -0.36 0.00 0.00 175.35 175.13 2roe s LEU 4 N -0.29 2.45 -0.18 5.43 1.43 -0.04 -1.51 118.68 125.97 2roe s LEU 4 Ca 0.01 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2roe s LEU 4 Cb -0.12 -0.24 0.01 0.00 0.03 0.00 0.00 46.19 45.87 2roe s LEU 4 CO 0.02 -0.33 -0.15 -0.75 0.23 0.00 0.00 176.35 175.37 2roe s LYS 5 N -3.17 3.16 -0.05 1.70 2.36 -0.18 -1.40 119.74 122.15 2roe s LYS 5 Ca 0.08 -0.76 -0.01 0.00 -2.55 0.00 0.00 55.97 52.73 2roe s LYS 5 Cb -0.00 -2.67 -0.04 0.00 -1.05 0.00 0.00 37.83 34.07 2roe s LYS 5 CO -0.01 -0.11 0.05 0.08 1.55 0.00 0.00 175.35 176.90 2roe s VAL 6 N 1.12 4.57 0.03 4.02 1.01 -0.24 -2.26 120.40 128.64 2roe s VAL 6 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2roe s VAL 6 Cb -0.14 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2roe s VAL 6 CO -0.05 0.48 -0.06 -0.70 0.00 0.00 0.00 175.10 174.77 2roe s GLU 7 N -1.30 0.44 0.00 2.72 -6.30 -0.25 -4.57 118.70 109.43 2roe s GLU 7 Ca 0.18 -0.58 0.00 0.00 -2.50 0.00 0.00 54.97 52.07 2roe s GLU 7 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 34.13 33.78 2roe s GLU 7 CO 0.08 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.81 2roe n GLY 8 N 1.88 3.32 3.69 -1.50 0.00 -1.26 -1.62 105.19 109.69 2roe n GLY 8 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.89 4.29 0.00 1.61 -1.94 -1.26 -4.87 119.30 116.23 2roe s MET 9 Ca 0.00 1.98 0.00 0.00 -1.71 0.00 0.00 55.69 55.96 2roe s MET 9 Cb 0.00 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.30 2roe s MET 9 CO 0.00 -0.56 0.56 0.25 -0.01 0.00 0.00 175.02 175.26 2roe n THR 10 N 4.58 0.31 -3.86 2.05 -2.24 -1.26 -5.05 114.28 108.82 2roe n THR 10 Ca 0.13 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2roe n THR 10 Cb 0.43 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 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 4.84 0.27 -0.17 0.00 -0.73 -2.01 -1.59 115.58 116.19 2roe h ASN 12 Ca -0.29 -0.02 0.04 0.00 1.87 0.00 0.00 56.30 57.90 2roe h ASN 12 Cb 1.20 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.71 2roe h ASN 12 CO 0.41 0.24 0.12 0.45 -0.37 0.00 0.00 177.43 178.28 2roe h HIS 13 N 0.31 0.05 -0.40 0.67 3.86 -2.00 -1.09 115.15 116.54 2roe h HIS 13 Ca 0.08 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.14 2roe h HIS 13 Cb 0.05 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2roe h HIS 13 CO 0.00 0.03 -0.35 0.00 0.86 0.00 0.00 177.93 178.47 2roe h VAL 15 N 0.77 0.00 -0.64 0.00 2.07 -1.24 -1.55 116.25 115.66 2roe h VAL 15 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2roe h VAL 15 Cb 0.94 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2roe h VAL 15 CO 0.09 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.10 2roe h MET 16 N -1.33 0.74 0.42 1.57 -0.00 -1.53 0.91 114.93 115.70 2roe h MET 16 Ca -0.13 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.50 2roe h MET 16 Cb 1.03 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 32.47 2roe h MET 16 CO 0.20 0.49 -0.20 0.00 -0.00 0.00 0.00 176.91 177.40 2roe h ALA 17 N 1.63 -0.56 0.00 -3.00 0.00 -1.26 -2.37 119.26 113.69 2roe h ALA 17 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2roe h ALA 17 Cb 0.08 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2roe h ALA 17 CO -0.07 -0.70 -0.21 -0.24 0.00 0.00 0.00 179.25 178.03 2roe h VAL 18 N -0.80 0.88 -0.63 0.00 3.04 -1.02 -1.18 116.25 116.54 2roe h VAL 18 Ca -0.06 -0.80 -0.02 0.00 -1.01 0.00 0.00 66.70 64.81 2roe h VAL 18 Cb 0.54 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 31.26 2roe h VAL 18 CO 0.09 0.21 0.32 0.74 -1.01 0.00 0.00 177.57 177.92 2roe h THR 19 N 0.00 1.21 -0.29 3.17 2.02 -0.67 0.11 112.91 118.46 2roe h THR 19 Ca -0.00 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 2roe h THR 19 Cb 0.45 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2roe h THR 19 CO 0.03 0.24 -0.14 0.11 0.37 0.00 0.00 175.52 176.13 2roe h LYS 20 N 0.87 0.50 -0.39 6.66 1.57 -0.69 -2.52 116.57 122.57 2roe h LYS 20 Ca 0.22 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2roe h LYS 20 Cb 0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2roe h LYS 20 CO -0.03 0.64 -0.13 0.00 -0.57 0.00 0.00 179.45 179.35 2roe h ALA 21 N 1.39 0.54 0.00 3.86 0.00 -0.83 -2.88 119.26 121.33 2roe h ALA 21 Ca 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2roe h ALA 21 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2roe h ALA 21 CO 0.03 0.44 -0.02 -0.07 0.00 0.00 0.00 179.25 179.63 2roe h LEU 22 N 0.58 0.00 -0.05 0.00 3.38 -0.48 -0.68 115.31 118.05 2roe h LEU 22 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2roe h LEU 22 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2roe h LEU 22 CO 0.05 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.88 2roe n LYS 23 N -4.41 0.03 0.11 1.13 5.02 -0.98 -2.79 118.16 116.27 2roe n LYS 23 Ca -0.03 0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.56 2roe n LYS 23 Cb 0.10 -1.54 0.33 0.00 -0.02 0.00 0.00 35.03 33.90 2roe n LYS 23 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2roe h LYS 24 N 0.00 0.00 -6.57 1.97 1.79 -1.18 -3.47 116.57 109.11 2roe h LYS 24 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 2roe h LYS 24 Cb 0.37 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.07 2roe h LYS 24 CO 0.00 0.00 0.99 0.08 -1.08 0.00 0.00 179.45 179.44 2roe s VAL 25 N -3.13 2.49 -0.34 0.50 1.01 -1.12 -4.91 120.40 114.90 2roe s VAL 25 Ca 0.09 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 2roe s VAL 25 Cb 0.12 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2roe s VAL 25 CO 0.63 0.01 1.83 -2.16 0.00 0.00 0.00 175.10 175.41 2roe s PRO 26 N 1.77 3.27 0.00 2.72 0.04 -1.26 -2.08 135.00 139.46 2roe s PRO 26 Ca 0.75 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2roe s PRO 26 Cb -0.45 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2roe s PRO 26 CO 0.33 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.85 2roe n GLY 27 N 5.46 1.17 3.81 0.56 0.00 -1.26 -4.15 105.19 110.78 2roe n GLY 27 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 3.97 0.15 1.61 0.11 -0.88 -0.47 120.40 122.89 2roe s VAL 28 Ca 0.00 0.96 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 2roe s VAL 28 Cb 0.00 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2roe s VAL 28 CO 0.00 -0.52 0.00 -0.62 -3.33 0.00 0.00 175.10 170.63 2roe n GLU 29 N -1.84 0.00 -4.14 1.54 1.02 -1.26 -4.85 120.64 111.11 2roe n GLU 29 Ca 0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.07 2roe n GLU 29 Cb 0.53 -0.23 -0.13 0.00 -0.02 0.00 0.00 31.44 31.59 2roe n GLU 29 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2roe s LYS 30 N -2.00 0.53 0.15 3.49 2.36 -1.26 -4.95 119.74 118.07 2roe s LYS 30 Ca 0.00 -0.52 0.09 0.00 -2.55 0.00 0.00 55.97 52.99 2roe s LYS 30 Cb 0.00 -0.42 -0.04 0.00 -1.05 0.00 0.00 37.83 36.32 2roe s LYS 30 CO 0.00 0.10 -0.20 0.14 1.55 0.00 0.00 175.35 176.94 2roe s VAL 31 N -0.80 1.84 -0.20 4.02 -7.23 -1.26 -1.23 120.40 115.54 2roe s VAL 31 Ca -0.04 -1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 2roe s VAL 31 Cb -0.06 -1.79 0.10 0.00 0.56 0.00 0.00 36.38 35.19 2roe s VAL 31 CO 0.00 -0.22 0.36 -0.70 -0.31 0.00 0.00 175.10 174.23 2roe s GLU 32 N -2.53 0.29 0.13 4.82 -6.30 -0.70 -4.98 118.70 109.43 2roe s GLU 32 Ca 0.13 0.76 0.05 0.00 -2.50 0.00 0.00 54.97 53.41 2roe s GLU 32 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 34.13 33.91 2roe s GLU 32 CO 0.06 -0.42 -0.12 0.08 0.02 0.00 0.00 175.26 174.89 2roe s VAL 33 N 2.54 1.19 -0.07 3.70 1.01 -1.26 -0.55 120.40 126.96 2roe s VAL 33 Ca 0.04 -1.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.14 2roe s VAL 33 Cb -0.13 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2roe s VAL 33 CO -0.13 -0.57 0.18 -0.55 0.00 0.00 0.00 175.10 174.04 2roe s SER 34 N -2.72 -0.19 -0.00 3.32 0.15 -0.83 -5.01 113.70 108.42 2roe s SER 34 Ca 0.11 0.38 -0.23 0.00 0.70 0.00 0.00 55.95 56.90 2roe s SER 34 Cb -0.02 0.36 -0.19 0.00 -1.71 0.00 0.00 66.02 64.46 2roe s SER 34 CO 0.02 -0.08 1.23 0.25 1.20 0.00 0.00 173.24 175.86 2roe h LEU 35 N 6.15 0.22 -1.59 3.45 5.85 -1.96 0.19 115.31 127.62 2roe h LEU 35 Ca -0.29 -0.56 0.01 0.00 0.84 0.00 0.00 57.88 57.88 2roe h LEU 35 Cb 1.19 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2roe h LEU 35 CO 0.40 0.74 0.29 1.05 -0.34 0.00 0.00 178.44 180.57 2roe h GLU 36 N -0.29 0.54 0.01 1.25 4.11 -1.96 -2.91 114.58 115.32 2roe h GLU 36 Ca 0.00 -0.03 -0.32 0.00 0.07 0.00 0.00 59.36 59.08 2roe h GLU 36 Cb 0.71 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2roe h GLU 36 CO 0.03 0.36 -1.89 1.63 0.07 0.00 0.00 179.01 179.20 2roe n LYS 37 N -4.47 0.65 -3.17 1.06 5.02 -1.23 -4.98 118.16 111.04 2roe n LYS 37 Ca 0.04 0.23 -0.17 0.00 -2.02 0.00 0.00 58.31 56.39 2roe n LYS 37 Cb 0.08 -1.72 0.05 0.00 -0.02 0.00 0.00 35.03 33.42 2roe n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2roe n GLY 38 N 1.64 -0.11 3.04 0.72 0.00 0.05 -4.95 105.19 105.58 2roe n GLY 38 Ca -0.22 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.81 0.53 -0.08 1.61 2.02 -1.21 -1.08 118.70 114.68 2roe s GLU 39 Ca 0.37 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.77 2roe s GLU 39 Cb -0.16 -0.36 0.01 0.00 0.10 0.00 0.00 34.13 33.72 2roe s GLU 39 CO 0.46 0.08 -0.13 0.00 0.02 0.00 0.00 175.26 175.69 2roe s ALA 40 N -1.03 1.37 0.14 5.21 0.00 -0.49 -1.96 121.76 124.99 2roe s ALA 40 Ca -0.06 -0.49 0.11 0.00 0.00 0.00 0.00 51.96 51.52 2roe s ALA 40 Cb -0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 2roe s ALA 40 CO 0.00 0.06 -0.26 -0.51 0.00 0.00 0.00 175.76 175.05 2roe s LEU 41 N 0.77 2.35 -0.02 0.00 2.01 0.29 -0.86 118.68 123.22 2roe s LEU 41 Ca -0.12 -0.77 0.05 0.00 0.01 0.00 0.00 54.13 53.29 2roe s LEU 41 Cb -0.16 -1.22 -0.01 0.00 0.01 0.00 0.00 46.19 44.82 2roe s LEU 41 CO 0.02 0.17 -0.16 -0.69 1.01 0.00 0.00 176.35 176.70 2roe s VAL 42 N -1.18 1.28 -1.94 -1.59 1.01 -0.89 -1.72 120.40 115.37 2roe s VAL 42 Ca 0.15 -0.68 0.16 0.00 0.00 0.00 0.00 61.98 61.61 2roe s VAL 42 Cb -0.10 -1.07 0.18 0.00 0.00 0.00 0.00 36.38 35.39 2roe s VAL 42 CO 0.07 0.36 1.07 -0.62 0.00 0.00 0.00 175.10 175.98 2roe n GLU 43 N 2.77 1.49 0.00 2.72 1.02 -0.37 -3.18 120.64 125.10 2roe n GLU 43 Ca -0.15 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 2roe n GLU 43 Cb 0.54 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.93 1.61 0.03 0.62 0.00 -1.25 -4.71 105.19 102.41 2roe n GLY 44 Ca 0.11 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 0.85 -1.50 2.61 5.66 0.38 -4.72 114.28 117.56 2roe n THR 45 Ca 0.00 -0.90 -0.38 0.00 -3.05 0.00 0.00 64.05 59.72 2roe n THR 45 Cb 0.00 0.52 0.04 0.00 -1.55 0.00 0.00 70.33 69.34 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roe n ALA 46 N -0.48 -0.89 -1.76 1.79 0.00 -0.42 -4.84 120.51 113.91 2roe n ALA 46 Ca 0.02 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2roe n ALA 46 Cb 0.36 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.19 6.96 0.13 0.00 1.01 -1.26 -4.94 116.67 117.38 2roe s ASP 47 Ca 0.70 2.50 -0.16 0.00 0.71 0.00 0.00 52.55 56.30 2roe s ASP 47 Cb -0.44 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 40.84 2roe s ASP 47 CO 0.53 -0.38 1.66 1.55 0.21 0.00 0.00 175.17 178.74 2roe h PRO 48 N 3.52 0.57 -0.84 8.23 0.13 -1.99 -0.78 132.00 140.84 2roe h PRO 48 Ca -0.48 -0.11 0.07 0.00 -0.87 0.00 0.00 66.00 64.61 2roe h PRO 48 Cb 1.22 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 2roe h PRO 48 CO 0.66 0.57 0.55 1.57 -0.23 0.00 0.00 178.00 181.11 2roe h LYS 49 N 0.46 0.86 0.00 0.86 2.10 -1.99 -0.09 116.57 118.78 2roe h LYS 49 Ca 0.12 -0.05 -0.22 0.00 -2.00 0.00 0.00 60.65 58.50 2roe h LYS 49 Cb 0.22 -0.19 -0.03 0.00 -0.90 0.00 0.00 32.23 31.32 2roe h LYS 49 CO -0.01 0.57 -1.14 0.00 -2.00 0.00 0.00 179.45 176.88 2roe h ALA 50 N 1.56 0.45 0.08 0.07 0.00 -1.88 -2.89 119.26 116.64 2roe h ALA 50 Ca 0.37 -1.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 2roe h ALA 50 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2roe h ALA 50 CO -0.14 1.30 -0.04 -0.07 0.00 0.00 0.00 179.25 180.31 2roe h LEU 51 N 0.00 -0.09 -1.27 0.00 3.38 -0.34 -1.87 115.31 115.12 2roe h LEU 51 Ca -0.07 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2roe h LEU 51 Cb 1.81 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 2roe h LEU 51 CO 0.12 0.31 0.48 1.62 0.09 0.00 0.00 178.44 181.06 2roe h VAL 52 N -0.49 1.19 0.02 1.22 3.04 -1.17 -2.88 116.25 117.18 2roe h VAL 52 Ca -0.01 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2roe h VAL 52 Cb 0.42 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.81 2roe h VAL 52 CO 0.02 0.19 -0.01 -0.61 -1.01 0.00 0.00 177.57 176.14 2roe h GLN 53 N 1.00 -0.03 -0.83 4.17 4.15 -1.39 -2.80 115.11 119.39 2roe h GLN 53 Ca 0.27 0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.90 2roe h GLN 53 Cb -0.11 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.54 2roe h GLN 53 CO -0.06 0.13 0.57 0.00 -1.93 0.00 0.00 178.83 177.54 2roe h ALA 54 N 0.79 2.50 -0.04 3.38 0.00 -1.11 0.20 119.26 124.98 2roe h ALA 54 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2roe h ALA 54 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2roe h ALA 54 CO 0.01 -0.75 -0.28 0.28 0.00 0.00 0.00 179.25 178.51 2roe h VAL 55 N 0.18 1.47 -0.06 0.00 2.07 -1.54 -2.99 116.25 115.38 2roe h VAL 55 Ca 0.41 -1.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 2roe h VAL 55 Cb 1.33 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 2roe h VAL 55 CO -0.08 0.50 -0.30 -0.33 0.02 0.00 0.00 177.57 177.38 2roe h GLU 56 N -0.31 0.11 -0.22 1.57 4.39 -0.84 -2.10 114.58 117.18 2roe h GLU 56 Ca -0.02 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2roe h GLU 56 Cb 0.96 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2roe h GLU 56 CO 0.06 0.41 -0.16 0.93 -1.16 0.00 0.00 179.01 179.08 2roe h GLU 57 N 0.10 0.37 0.00 2.33 4.39 -0.72 -0.41 114.58 120.65 2roe h GLU 57 Ca 0.01 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2roe h GLU 57 Cb 0.58 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2roe h GLU 57 CO 0.04 0.53 0.00 0.93 -1.16 0.00 0.00 179.01 179.35 2roe h GLU 58 N 0.34 0.00 0.00 2.33 4.39 -1.24 -3.48 114.58 116.92 2roe h GLU 58 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2roe h GLU 58 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2roe h GLU 58 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 2roe n GLY 59 N 1.02 0.97 3.95 -3.84 0.00 -0.16 -5.10 105.19 102.04 2roe n GLY 59 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 3.46 0.09 1.61 1.51 -0.87 -4.96 117.35 116.19 2roe s TYR 60 Ca 0.00 0.20 -0.23 0.00 -1.01 0.00 0.00 57.07 56.03 2roe s TYR 60 Cb 0.00 -1.82 -0.07 0.00 -0.11 0.00 0.00 41.96 39.97 2roe s TYR 60 CO 0.00 0.19 0.71 0.21 -1.11 0.00 0.00 175.55 175.55 2roe s LYS 61 N -4.22 4.44 0.00 -0.62 2.20 -0.64 -3.36 119.74 117.55 2roe s LYS 61 Ca 0.39 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 2roe s LYS 61 Cb -0.09 -3.30 -0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2roe s LYS 61 CO 0.34 0.47 -0.01 0.00 -0.36 0.00 0.00 175.35 175.79 2roe s ALA 62 N -0.69 0.10 -0.18 3.13 0.00 -1.26 -1.09 121.76 121.76 2roe s ALA 62 Ca 0.35 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 2roe s ALA 62 Cb -0.21 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 22.96 2roe s ALA 62 CO 0.23 0.01 0.46 -1.83 0.00 0.00 0.00 175.76 174.62 2roe s GLU 63 N -0.16 0.48 0.14 0.00 -1.05 -0.96 -4.98 118.70 112.17 2roe s GLU 63 Ca -0.01 0.77 -0.31 0.00 -0.15 0.00 0.00 54.97 55.27 2roe s GLU 63 Cb -0.01 0.11 -0.08 0.00 -0.44 0.00 0.00 34.13 33.71 2roe s GLU 63 CO -0.00 -0.12 1.36 0.08 0.95 0.00 0.00 175.26 177.53 2roe s VAL 64 N 0.93 3.30 -0.58 1.83 1.01 -1.26 -1.01 120.40 124.62 2roe s VAL 64 Ca -0.06 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 2roe s VAL 64 Cb -0.06 -3.62 0.47 0.00 0.00 0.00 0.00 36.38 33.17 2roe s VAL 64 CO -0.08 0.10 2.00 0.18 0.00 0.00 0.00 175.10 177.30 2roe n LEU 65 N 3.56 7.33 0.00 3.92 4.77 -0.57 -4.91 117.00 131.10 2roe n LEU 65 Ca 0.10 -4.01 0.00 0.00 -0.03 0.00 0.00 56.01 52.06 2roe n LEU 65 Cb 0.43 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2roe n LEU 65 CO 0.58 1.34 0.20 0.00 -1.33 0.00 0.00 177.39 178.18