#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 2.95 0.07 3.17 1.43 -0.14 -4.86 118.68 121.30 2roe s LEU 2 Ca 0.00 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 54.53 2roe s LEU 2 Cb 0.00 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.99 2roe s LEU 2 CO 0.00 -1.46 -0.13 -0.54 0.23 0.00 0.00 176.35 174.45 2roe s LYS 3 N -5.17 0.79 0.04 1.70 1.02 -1.26 -1.47 119.74 115.39 2roe s LYS 3 Ca 0.58 -0.94 -0.06 0.00 0.02 0.00 0.00 55.97 55.58 2roe s LYS 3 Cb -0.13 -0.77 -0.01 0.00 -0.52 0.00 0.00 37.83 36.40 2roe s LYS 3 CO 0.54 0.17 0.11 -0.51 -0.92 0.00 0.00 175.35 174.73 2roe s LEU 4 N -1.73 1.77 -0.18 3.17 1.43 -0.15 -3.57 118.68 119.42 2roe s LEU 4 Ca -0.03 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2roe s LEU 4 Cb -0.10 0.65 0.03 0.00 0.03 0.00 0.00 46.19 46.80 2roe s LEU 4 CO 0.02 -0.55 -0.17 -0.75 0.23 0.00 0.00 176.35 175.14 2roe s LYS 5 N -2.85 2.67 -0.13 1.70 2.36 0.08 -0.96 119.74 122.61 2roe s LYS 5 Ca -0.03 -0.82 -0.04 0.00 -2.55 0.00 0.00 55.97 52.53 2roe s LYS 5 Cb 0.00 -2.48 -0.03 0.00 -1.05 0.00 0.00 37.83 34.27 2roe s LYS 5 CO -0.06 -0.27 0.02 0.08 1.55 0.00 0.00 175.35 176.67 2roe s VAL 6 N 1.33 4.41 -0.14 4.02 1.01 -0.04 -2.26 120.40 128.72 2roe s VAL 6 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2roe s VAL 6 Cb -0.14 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.37 2roe s VAL 6 CO -0.11 0.54 -0.01 -0.70 0.00 0.00 0.00 175.10 174.82 2roe s GLU 7 N -0.26 0.91 0.00 2.72 2.56 -0.17 -4.47 118.70 119.99 2roe s GLU 7 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.97 54.76 2roe s GLU 7 Cb -0.12 -1.70 0.00 0.00 2.00 0.00 0.00 34.13 34.30 2roe s GLU 7 CO 0.02 -0.46 0.00 0.41 -0.56 0.00 0.00 175.26 174.67 2roe n GLY 8 N 5.02 0.26 3.71 -1.50 0.00 -1.26 -1.46 105.19 109.96 2roe n GLY 8 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 4.48 0.00 1.61 -1.94 -1.26 -4.90 119.30 117.29 2roe s MET 9 Ca 0.00 1.59 0.00 0.00 -1.71 0.00 0.00 55.69 55.57 2roe s MET 9 Cb 0.00 -3.42 0.00 0.00 2.01 0.00 0.00 34.83 33.42 2roe s MET 9 CO 0.00 -0.19 0.78 -2.37 -0.01 0.00 0.00 175.02 173.23 2roe n THR 10 N 4.00 0.00 -3.57 2.05 5.66 -1.26 -5.02 114.28 116.15 2roe n THR 10 Ca 0.08 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.95 2roe n THR 10 Cb 0.48 0.66 -0.05 0.00 -1.55 0.00 0.00 70.33 69.88 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 2.56 0.65 -0.58 0.00 4.21 -2.01 -1.33 115.58 119.07 2roe h ASN 12 Ca -0.32 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.18 2roe h ASN 12 Cb 1.24 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 38.25 2roe h ASN 12 CO 0.42 0.46 0.36 0.45 -1.29 0.00 0.00 177.43 177.83 2roe h HIS 13 N 0.76 0.76 -0.26 1.19 3.86 -2.00 -2.35 115.15 117.11 2roe h HIS 13 Ca 0.23 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2roe h HIS 13 Cb 0.01 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 2roe h HIS 13 CO -0.00 0.50 0.13 0.00 0.86 0.00 0.00 177.93 179.43 2roe h VAL 15 N 0.30 0.31 0.00 0.00 2.07 -1.39 0.90 116.25 118.44 2roe h VAL 15 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2roe h VAL 15 Cb 0.10 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2roe h VAL 15 CO -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.48 2roe h MET 16 N -0.63 0.00 0.04 1.57 -0.00 -1.39 0.29 114.93 114.80 2roe h MET 16 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2roe h MET 16 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 2roe h MET 16 CO -0.12 0.10 -0.02 0.00 -0.00 0.00 0.00 176.91 176.87 2roe h ALA 17 N 1.90 -0.05 -0.99 -3.00 0.00 -0.71 -2.41 119.26 114.00 2roe h ALA 17 Ca -0.00 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.67 2roe h ALA 17 Cb 0.20 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2roe h ALA 17 CO 0.01 -0.17 0.63 0.28 0.00 0.00 0.00 179.25 180.00 2roe h VAL 18 N -0.77 1.02 -0.48 0.00 2.07 -0.54 -0.12 116.25 117.43 2roe h VAL 18 Ca -0.01 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2roe h VAL 18 Cb 0.66 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2roe h VAL 18 CO 0.01 0.20 0.32 0.74 0.02 0.00 0.00 177.57 178.86 2roe h THR 19 N 1.09 1.12 -0.26 2.57 2.02 -0.95 -0.15 112.91 118.36 2roe h THR 19 Ca 0.45 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 2roe h THR 19 Cb 0.29 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2roe h THR 19 CO -0.21 0.12 0.12 0.11 0.37 0.00 0.00 175.52 176.03 2roe h LYS 20 N 0.65 0.37 -0.59 6.66 1.57 -0.54 -0.48 116.57 124.22 2roe h LYS 20 Ca 0.18 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2roe h LYS 20 Cb -0.08 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 2roe h LYS 20 CO -0.04 0.37 0.32 0.00 -0.57 0.00 0.00 179.45 179.53 2roe h ALA 21 N 0.98 0.77 -0.64 3.86 0.00 -0.95 -0.55 119.26 122.73 2roe h ALA 21 Ca 0.09 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2roe h ALA 21 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2roe h ALA 21 CO -0.01 -0.00 0.12 -0.07 0.00 0.00 0.00 179.25 179.29 2roe h LEU 22 N 0.61 0.99 -0.47 0.00 3.38 -0.70 -2.28 115.31 116.84 2roe h LEU 22 Ca 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2roe h LEU 22 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2roe h LEU 22 CO -0.16 0.97 0.00 0.29 0.09 0.00 0.00 178.44 179.63 2roe n LYS 23 N -4.23 0.20 0.07 1.13 5.02 -0.22 -2.74 118.16 117.40 2roe n LYS 23 Ca 0.04 0.35 0.13 0.00 -2.02 0.00 0.00 58.31 56.81 2roe n LYS 23 Cb 0.27 -1.83 0.47 0.00 -0.02 0.00 0.00 35.03 33.92 2roe n LYS 23 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2roe n LYS 24 N -2.19 0.16 -2.22 1.97 2.85 -0.31 -4.83 118.16 113.59 2roe n LYS 24 Ca 0.03 0.20 -0.42 0.00 -1.05 0.00 0.00 58.31 57.08 2roe n LYS 24 Cb 0.28 -1.72 -0.03 0.00 -0.65 0.00 0.00 35.03 32.92 2roe n LYS 24 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2roe s VAL 25 N -3.11 3.41 -0.45 0.58 1.01 -1.11 -4.96 120.40 115.78 2roe s VAL 25 Ca 0.10 1.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 2roe s VAL 25 Cb 0.13 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2roe s VAL 25 CO 0.52 0.09 1.72 -2.16 0.00 0.00 0.00 175.10 175.27 2roe s PRO 26 N 0.93 3.15 0.00 2.72 0.04 -1.26 -2.91 135.00 137.67 2roe s PRO 26 Ca 0.63 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2roe s PRO 26 Cb -0.36 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2roe s PRO 26 CO 0.31 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2roe n GLY 27 N 5.44 0.87 3.80 0.56 0.00 -1.26 -4.57 105.19 110.03 2roe n GLY 27 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.10 3.84 0.06 1.61 0.11 -1.15 -0.70 120.40 123.06 2roe s VAL 28 Ca 0.00 1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 60.17 2roe s VAL 28 Cb 0.00 -3.46 -0.01 0.00 -1.53 0.00 0.00 36.38 31.38 2roe s VAL 28 CO 0.00 -0.26 -0.03 -0.62 -3.33 0.00 0.00 175.10 170.86 2roe n GLU 29 N -0.97 0.05 -3.91 1.54 -0.58 -1.26 -4.86 120.64 110.65 2roe n GLU 29 Ca 0.09 0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.76 2roe n GLU 29 Cb 0.53 -0.58 -0.09 0.00 -0.57 0.00 0.00 31.44 30.72 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 -2.08 0.64 0.04 3.49 2.20 -1.26 -4.91 119.74 117.86 2roe s LYS 30 Ca -0.03 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 2roe s LYS 30 Cb 0.01 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 2roe s LYS 30 CO 0.04 -0.17 -0.04 0.14 -0.36 0.00 0.00 175.35 174.96 2roe s VAL 31 N -2.74 0.26 -0.37 4.02 -7.23 -1.26 -0.96 120.40 112.12 2roe s VAL 31 Ca -0.04 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 2roe s VAL 31 Cb -0.00 -0.67 0.14 0.00 0.56 0.00 0.00 36.38 36.41 2roe s VAL 31 CO -0.05 -0.60 0.23 -1.61 -0.31 0.00 0.00 175.10 172.76 2roe s GLU 32 N -2.13 0.70 0.27 4.82 8.01 -0.31 -5.00 118.70 125.07 2roe s GLU 32 Ca -0.08 -1.51 -0.15 0.00 0.01 0.00 0.00 54.97 53.23 2roe s GLU 32 Cb -0.05 -1.48 -0.08 0.00 -4.31 0.00 0.00 34.13 28.21 2roe s GLU 32 CO -0.03 -1.22 0.69 0.08 0.01 0.00 0.00 175.26 174.79 2roe s VAL 33 N 0.85 4.70 -0.12 2.63 1.01 -1.26 -1.52 120.40 126.70 2roe s VAL 33 Ca 0.19 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 2roe s VAL 33 Cb -0.21 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.53 2roe s VAL 33 CO -0.01 -0.03 0.01 -0.44 0.00 0.00 0.00 175.10 174.63 2roe s SER 34 N -2.07 2.07 0.20 3.32 0.01 -0.06 -4.98 113.70 112.19 2roe s SER 34 Ca 0.49 -0.35 -0.08 0.00 1.31 0.00 0.00 55.95 57.31 2roe s SER 34 Cb -0.12 -0.51 0.11 0.00 0.21 0.00 0.00 66.02 65.71 2roe s SER 34 CO 0.19 -0.23 1.68 0.25 0.41 0.00 0.00 173.24 175.54 2roe h LEU 35 N 8.29 1.05 0.16 2.44 5.85 -1.95 0.16 115.31 131.30 2roe h LEU 35 Ca -0.19 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2roe h LEU 35 Cb 1.12 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2roe h LEU 35 CO 0.29 1.06 -0.07 -0.08 -0.34 0.00 0.00 178.44 179.30 2roe h GLU 36 N 1.01 -0.20 0.00 1.25 4.57 -1.95 -3.31 114.58 115.94 2roe h GLU 36 Ca 0.19 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2roe h GLU 36 Cb 0.48 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2roe h GLU 36 CO 0.02 0.23 -0.09 0.87 -1.18 0.00 0.00 179.01 178.86 2roe h LYS 37 N -0.86 0.00 -3.01 1.92 1.57 -1.98 -3.46 116.57 110.75 2roe h LYS 37 Ca -0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.41 2roe h LYS 37 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 2roe h LYS 37 CO 0.03 0.09 -0.48 0.41 -0.57 0.00 0.00 179.45 178.94 2roe n GLY 38 N 0.05 -0.35 3.21 3.86 0.00 0.04 -4.97 105.19 107.03 2roe n GLY 38 Ca 0.00 -0.09 -0.13 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 -5.12 0.95 -0.08 1.61 2.02 -1.21 -0.86 118.70 116.01 2roe s GLU 39 Ca 0.10 -1.37 -0.03 0.00 0.02 0.00 0.00 54.97 53.68 2roe s GLU 39 Cb -0.04 -0.46 0.05 0.00 0.10 0.00 0.00 34.13 33.78 2roe s GLU 39 CO 0.12 0.04 0.16 0.00 0.02 0.00 0.00 175.26 175.60 2roe s ALA 40 N -3.32 -0.21 0.05 5.21 0.00 -0.13 -0.89 121.76 122.47 2roe s ALA 40 Ca 0.13 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.73 2roe s ALA 40 Cb 0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2roe s ALA 40 CO -0.01 -0.46 0.04 -0.51 0.00 0.00 0.00 175.76 174.82 2roe s LEU 41 N 2.00 3.68 -0.12 0.00 1.02 -0.58 -0.97 118.68 123.71 2roe s LEU 41 Ca -0.00 -0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.14 2roe s LEU 41 Cb -0.12 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.83 2roe s LEU 41 CO -0.06 0.21 -0.14 -0.69 0.02 0.00 0.00 176.35 175.70 2roe s VAL 42 N -1.27 1.45 -0.29 -1.59 1.01 -0.54 -1.16 120.40 118.01 2roe s VAL 42 Ca 0.25 -0.59 0.23 0.00 0.00 0.00 0.00 61.98 61.87 2roe s VAL 42 Cb -0.12 -1.35 0.09 0.00 0.00 0.00 0.00 36.38 35.00 2roe s VAL 42 CO 0.17 0.43 1.19 -0.08 0.00 0.00 0.00 175.10 176.82 2roe h GLU 43 N 7.71 0.00 0.00 2.72 4.57 -1.36 -0.34 114.58 127.88 2roe h GLU 43 Ca -0.33 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.74 2roe h GLU 43 Cb 1.16 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 29.80 2roe h GLU 43 CO 0.49 0.00 0.01 0.41 -1.18 0.00 0.00 179.01 178.74 2roe n GLY 44 N 1.16 -2.96 0.44 1.92 0.00 -1.23 -4.81 105.19 99.72 2roe n GLY 44 Ca 0.01 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.37 0.88 -0.96 2.61 5.66 0.12 -4.81 114.28 114.41 2roe n THR 45 Ca 0.04 -0.94 -0.32 0.00 -3.05 0.00 0.00 64.05 59.78 2roe n THR 45 Cb 0.17 0.58 0.14 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.96 1.72 0.39 1.79 0.00 -0.98 -4.92 121.76 118.80 2roe s ALA 46 Ca 0.16 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 2roe s ALA 46 Cb 0.08 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2roe s ALA 46 CO 0.11 -2.44 1.04 -0.51 0.00 0.00 0.00 175.76 173.96 2roe s ASP 47 N -2.48 6.82 0.32 0.00 1.11 -1.26 -4.94 116.67 116.23 2roe s ASP 47 Ca 0.69 2.02 0.02 0.00 0.18 0.00 0.00 52.55 55.46 2roe s ASP 47 Cb -0.25 -2.58 0.53 0.00 1.07 0.00 0.00 42.92 41.68 2roe s ASP 47 CO 0.54 -0.45 1.88 1.55 1.18 0.00 0.00 175.17 179.87 2roe h PRO 48 N 2.56 0.69 -0.73 8.23 0.13 -1.99 -1.34 132.00 139.55 2roe h PRO 48 Ca -0.48 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.49 2roe h PRO 48 Cb 1.21 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 2roe h PRO 48 CO 0.63 0.63 0.34 1.57 -0.23 0.00 0.00 178.00 180.93 2roe h LYS 49 N 0.68 1.05 0.02 0.86 2.10 -2.00 -1.21 116.57 118.07 2roe h LYS 49 Ca 0.15 -0.15 -0.26 0.00 -2.00 0.00 0.00 60.65 58.40 2roe h LYS 49 Cb 0.25 -0.19 0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2roe h LYS 49 CO -0.00 0.82 -1.04 0.00 -2.00 0.00 0.00 179.45 177.22 2roe h ALA 50 N 1.33 0.20 0.33 0.07 0.00 -1.84 -3.06 119.26 116.29 2roe h ALA 50 Ca 0.25 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2roe h ALA 50 Cb 0.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2roe h ALA 50 CO -0.03 0.75 -0.17 -0.07 0.00 0.00 0.00 179.25 179.73 2roe h LEU 51 N 0.30 -0.41 -0.56 0.00 3.38 -0.89 -2.24 115.31 114.88 2roe h LEU 51 Ca -0.12 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2roe h LEU 51 Cb 1.70 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 2roe h LEU 51 CO 0.19 -0.29 0.35 1.62 0.09 0.00 0.00 178.44 180.41 2roe h VAL 52 N -0.46 1.10 -0.25 1.22 3.04 -1.34 -3.07 116.25 116.49 2roe h VAL 52 Ca -0.04 -0.24 0.05 0.00 -1.01 0.00 0.00 66.70 65.46 2roe h VAL 52 Cb 0.36 0.33 -0.05 0.00 -2.01 0.00 0.00 31.29 29.92 2roe h VAL 52 CO 0.06 0.13 -0.08 -0.61 -1.01 0.00 0.00 177.57 176.06 2roe h GLN 53 N 0.71 -0.03 -1.00 4.17 5.75 -1.41 -2.54 115.11 120.76 2roe h GLN 53 Ca 0.22 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.84 2roe h GLN 53 Cb -0.03 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.45 2roe h GLN 53 CO -0.07 -0.02 0.63 0.00 -2.65 0.00 0.00 178.83 176.72 2roe h ALA 54 N 1.21 1.53 -0.34 3.38 0.00 -1.31 -1.69 119.26 122.04 2roe h ALA 54 Ca 0.12 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2roe h ALA 54 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2roe h ALA 54 CO -0.27 0.23 -0.11 0.28 0.00 0.00 0.00 179.25 179.38 2roe h VAL 55 N 1.00 1.28 0.00 0.00 2.07 -1.48 -3.00 116.25 116.11 2roe h VAL 55 Ca 0.49 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2roe h VAL 55 Cb 0.48 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2roe h VAL 55 CO -0.25 0.39 -0.17 -0.33 0.02 0.00 0.00 177.57 177.22 2roe h GLU 56 N 0.45 0.00 -0.41 1.57 5.08 -1.01 -2.65 114.58 117.61 2roe h GLU 56 Ca 0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2roe h GLU 56 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2roe h GLU 56 CO 0.04 0.17 0.05 0.93 -1.00 0.00 0.00 179.01 179.20 2roe h GLU 57 N 0.00 0.63 0.00 2.33 5.08 -1.20 -1.12 114.58 120.30 2roe h GLU 57 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2roe h GLU 57 Cb 0.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2roe h GLU 57 CO 0.02 0.61 0.00 0.93 -1.00 0.00 0.00 179.01 179.57 2roe h GLU 58 N 0.60 0.00 0.00 2.33 4.39 -1.53 -3.46 114.58 116.90 2roe h GLU 58 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2roe h GLU 58 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2roe h GLU 58 CO 0.01 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.27 2roe n GLY 59 N 0.11 0.88 3.84 -3.84 0.00 -0.42 -5.13 105.19 100.64 2roe n GLY 59 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 2.94 -0.19 1.61 2.02 -1.22 -4.98 117.35 115.53 2roe s TYR 60 Ca 0.00 1.01 -0.12 0.00 -0.37 0.00 0.00 57.07 57.58 2roe s TYR 60 Cb 0.00 -3.21 -0.05 0.00 -0.40 0.00 0.00 41.96 38.30 2roe s TYR 60 CO 0.00 -1.70 0.23 0.21 -1.57 0.00 0.00 175.55 172.72 2roe s LYS 61 N -5.30 4.20 0.06 -0.62 2.47 -0.53 -4.08 119.74 115.92 2roe s LYS 61 Ca 0.61 -0.05 0.06 0.00 -1.56 0.00 0.00 55.97 55.03 2roe s LYS 61 Cb -0.13 -3.46 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 2roe s LYS 61 CO 0.52 0.19 -0.17 0.00 0.16 0.00 0.00 175.35 176.06 2roe s ALA 62 N 0.64 1.40 -0.17 3.13 0.00 -1.26 -1.00 121.76 124.50 2roe s ALA 62 Ca 0.13 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 2roe s ALA 62 Cb -0.13 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 22.84 2roe s ALA 62 CO 0.03 0.27 0.58 -1.83 0.00 0.00 0.00 175.76 174.80 2roe s GLU 63 N -1.41 0.75 0.32 0.00 -1.05 -0.96 -5.00 118.70 111.34 2roe s GLU 63 Ca 0.03 0.62 -0.15 0.00 -0.15 0.00 0.00 54.97 55.32 2roe s GLU 63 Cb -0.09 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 33.87 2roe s GLU 63 CO 0.02 -0.13 0.73 0.54 0.95 0.00 0.00 175.26 177.37 2roe s VAL 64 N -0.11 4.69 -0.20 1.83 0.11 -1.26 -0.74 120.40 124.72 2roe s VAL 64 Ca -0.03 0.93 0.14 0.00 -2.93 0.00 0.00 61.98 60.09 2roe s VAL 64 Cb -0.03 -3.61 0.40 0.00 -1.53 0.00 0.00 36.38 31.61 2roe s VAL 64 CO 0.03 -0.18 1.26 0.18 -3.33 0.00 0.00 175.10 173.06 2roe n LEU 65 N -0.34 2.96 0.00 2.54 4.77 -1.23 -4.91 117.00 120.78 2roe n LEU 65 Ca 0.03 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.48 2roe n LEU 65 Cb 0.53 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2roe n LEU 65 CO 0.42 1.08 0.08 0.00 -1.33 0.00 0.00 177.39 177.64