#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 3.19 -0.14 -0.89 1.43 -0.99 -4.78 118.68 116.50 2roe s LEU 2 Ca 0.00 2.08 -0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2roe s LEU 2 Cb 0.00 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.69 2roe s LEU 2 CO 0.00 -2.15 -0.09 -0.75 0.23 0.00 0.00 176.35 173.59 2roe s LYS 3 N -4.33 1.76 0.16 1.70 2.20 -1.26 -1.28 119.74 118.68 2roe s LYS 3 Ca 0.67 -0.46 0.11 0.00 -0.36 0.00 0.00 55.97 55.93 2roe s LYS 3 Cb -0.22 -1.91 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 2roe s LYS 3 CO 0.49 -0.32 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.43 2roe s LEU 4 N 1.60 2.50 -0.16 5.43 2.01 -0.44 -1.06 118.68 128.56 2roe s LEU 4 Ca 0.03 -0.75 0.02 0.00 0.01 0.00 0.00 54.13 53.44 2roe s LEU 4 Cb -0.14 -1.30 0.01 0.00 0.01 0.00 0.00 46.19 44.78 2roe s LEU 4 CO -0.09 0.15 -0.20 -0.75 1.01 0.00 0.00 176.35 176.47 2roe s LYS 5 N -2.42 3.03 0.10 1.70 2.20 0.49 -0.97 119.74 123.87 2roe s LYS 5 Ca 0.19 -0.83 0.04 0.00 -0.36 0.00 0.00 55.97 55.01 2roe s LYS 5 Cb -0.09 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 2roe s LYS 5 CO 0.09 -0.10 0.05 0.08 -0.36 0.00 0.00 175.35 175.10 2roe s VAL 6 N 1.04 4.24 0.11 4.02 1.01 0.04 -0.54 120.40 130.32 2roe s VAL 6 Ca -0.01 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2roe s VAL 6 Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2roe s VAL 6 CO -0.07 0.07 -0.06 -0.70 0.00 0.00 0.00 175.10 174.34 2roe s GLU 7 N -2.49 0.87 0.00 2.72 2.56 -0.78 -4.70 118.70 116.87 2roe s GLU 7 Ca 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 54.97 53.89 2roe s GLU 7 Cb -0.11 -0.24 0.00 0.00 2.00 0.00 0.00 34.13 35.78 2roe s GLU 7 CO 0.20 -0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.30 2roe n GLY 8 N -0.07 3.12 3.76 -1.50 0.00 -1.26 -3.47 105.19 105.77 2roe n GLY 8 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.37 3.34 0.00 1.61 -1.94 -1.26 -4.93 119.30 115.74 2roe s MET 9 Ca 0.00 2.04 0.00 0.00 -1.71 0.00 0.00 55.69 56.02 2roe s MET 9 Cb 0.00 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.55 2roe s MET 9 CO 0.00 -0.97 0.00 0.25 -0.01 0.00 0.00 175.02 174.29 2roe n THR 10 N -0.88 0.00 -4.15 2.05 -2.24 -1.26 -5.10 114.28 102.71 2roe n THR 10 Ca 0.10 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.72 2roe n THR 10 Cb 0.46 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 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 2.19 0.19 -0.61 0.00 4.21 -2.00 -2.35 115.58 117.21 2roe h ASN 12 Ca -0.28 -0.02 -0.08 0.00 1.21 0.00 0.00 56.30 57.12 2roe h ASN 12 Cb 1.24 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.37 2roe h ASN 12 CO 0.39 0.27 0.06 -0.74 -1.29 0.00 0.00 177.43 176.12 2roe h HIS 13 N 0.21 1.13 -0.01 1.19 2.76 -1.99 -0.43 115.15 118.01 2roe h HIS 13 Ca 0.05 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2roe h HIS 13 Cb 0.21 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 2roe h HIS 13 CO 0.00 0.97 0.00 0.00 -1.30 0.00 0.00 177.93 177.61 2roe h VAL 15 N -0.11 0.27 -0.58 0.00 2.07 -1.24 -1.60 116.25 115.05 2roe h VAL 15 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 2roe h VAL 15 Cb 0.12 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2roe h VAL 15 CO -0.00 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.98 2roe h MET 16 N -0.62 0.53 0.12 1.57 -0.00 -1.06 -0.50 114.93 114.96 2roe h MET 16 Ca 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2roe h MET 16 Cb 0.62 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2roe h MET 16 CO -0.17 0.35 -0.06 0.00 -0.00 0.00 0.00 176.91 177.03 2roe h ALA 17 N 1.69 -0.16 -0.78 -3.00 0.00 -1.06 -2.61 119.26 113.33 2roe h ALA 17 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2roe h ALA 17 Cb 0.31 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2roe h ALA 17 CO -0.07 -0.40 0.46 -0.24 0.00 0.00 0.00 179.25 178.99 2roe h VAL 18 N -0.54 1.22 -0.27 0.00 3.04 -0.81 -0.92 116.25 117.97 2roe h VAL 18 Ca -0.02 -0.50 0.04 0.00 -1.01 0.00 0.00 66.70 65.22 2roe h VAL 18 Cb 0.43 0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 29.81 2roe h VAL 18 CO 0.03 0.23 0.03 0.74 -1.01 0.00 0.00 177.57 177.59 2roe h THR 19 N 1.07 0.84 -0.31 3.17 2.02 -1.08 0.95 112.91 119.56 2roe h THR 19 Ca 0.28 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.35 2roe h THR 19 Cb -0.03 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2roe h THR 19 CO -0.05 0.02 -0.09 0.11 0.37 0.00 0.00 175.52 175.88 2roe h LYS 20 N 0.12 0.52 -0.34 6.66 1.79 -0.97 -2.26 116.57 122.08 2roe h LYS 20 Ca 0.13 -0.14 -0.14 0.00 -2.18 0.00 0.00 60.65 58.31 2roe h LYS 20 Cb 0.15 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2roe h LYS 20 CO -0.19 0.61 -0.35 0.00 -1.08 0.00 0.00 179.45 178.44 2roe h ALA 21 N 1.42 0.50 -0.90 3.86 0.00 -0.39 -3.11 119.26 120.65 2roe h ALA 21 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2roe h ALA 21 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2roe h ALA 21 CO 0.02 0.58 0.57 -0.07 0.00 0.00 0.00 179.25 180.35 2roe h LEU 22 N 0.63 1.05 -0.93 0.00 3.38 -0.53 -1.60 115.31 117.31 2roe h LEU 22 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2roe h LEU 22 Cb 0.93 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2roe h LEU 22 CO 0.09 0.78 0.00 0.29 0.09 0.00 0.00 178.44 179.69 2roe n LYS 23 N -4.38 0.15 0.20 1.13 5.02 -0.88 -2.37 118.16 117.03 2roe n LYS 23 Ca 0.10 0.51 0.05 0.00 -2.02 0.00 0.00 58.31 56.95 2roe n LYS 23 Cb 0.04 -1.87 0.40 0.00 -0.02 0.00 0.00 35.03 33.58 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 -6.77 1.97 1.79 -1.31 -3.43 116.57 108.82 2roe h LYS 24 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2roe h LYS 24 Cb 0.19 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.91 2roe h LYS 24 CO 0.00 0.35 0.89 0.08 -1.08 0.00 0.00 179.45 179.69 2roe s VAL 25 N -3.91 2.16 -0.33 0.50 1.01 -1.00 -4.90 120.40 113.92 2roe s VAL 25 Ca -0.02 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 2roe s VAL 25 Cb 0.13 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2roe s VAL 25 CO 0.69 0.02 1.98 -2.16 0.00 0.00 0.00 175.10 175.62 2roe s PRO 26 N -0.19 3.11 0.00 2.72 0.04 -1.26 -1.91 135.00 137.51 2roe s PRO 26 Ca 0.65 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2roe s PRO 26 Cb -0.47 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.77 2roe s PRO 26 CO 0.44 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.77 2roe n GLY 27 N 5.59 1.01 3.47 0.56 0.00 -1.26 -4.40 105.19 110.17 2roe n GLY 27 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 4.29 0.00 1.61 1.01 -0.80 -0.97 120.40 123.54 2roe s VAL 28 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 2roe s VAL 28 Cb 0.00 -4.74 -0.24 0.00 0.00 0.00 0.00 36.38 31.40 2roe s VAL 28 CO 0.00 -1.53 1.09 -0.33 0.00 0.00 0.00 175.10 174.32 2roe h GLU 29 N 9.54 0.41 -3.31 2.72 4.39 -1.89 -3.45 114.58 122.99 2roe h GLU 29 Ca -0.21 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 58.98 2roe h GLU 29 Cb 1.06 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.70 2roe h GLU 29 CO 1.20 1.12 -0.09 0.21 -1.16 0.00 0.00 179.01 180.29 2roe s LYS 30 N -3.15 1.02 0.00 2.33 2.20 -1.26 -4.94 119.74 115.95 2roe s LYS 30 Ca -0.13 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 2roe s LYS 30 Cb 0.03 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.80 2roe s LYS 30 CO 0.82 -0.39 0.01 0.08 -0.36 0.00 0.00 175.35 175.52 2roe s VAL 31 N -3.45 0.04 -0.50 4.02 1.01 -1.26 -1.36 120.40 118.89 2roe s VAL 31 Ca 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2roe s VAL 31 Cb 0.01 -0.13 0.14 0.00 0.00 0.00 0.00 36.38 36.41 2roe s VAL 31 CO -0.09 -0.18 0.30 -1.61 0.00 0.00 0.00 175.10 173.51 2roe s GLU 32 N -0.54 1.61 0.16 2.72 0.41 0.48 -4.94 118.70 118.59 2roe s GLU 32 Ca -0.06 -2.39 -0.13 0.00 -0.41 0.00 0.00 54.97 51.99 2roe s GLU 32 Cb -0.04 -2.67 -0.07 0.00 -1.78 0.00 0.00 34.13 29.58 2roe s GLU 32 CO -0.00 -1.19 0.54 0.08 -0.49 0.00 0.00 175.26 174.19 2roe s VAL 33 N -0.13 4.89 -0.04 2.63 1.01 -1.26 -1.24 120.40 126.27 2roe s VAL 33 Ca 0.20 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 2roe s VAL 33 Cb -0.19 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2roe s VAL 33 CO -0.04 0.19 0.05 -0.44 0.00 0.00 0.00 175.10 174.85 2roe s SER 34 N -1.85 0.94 0.16 3.32 0.01 -0.47 -4.99 113.70 110.82 2roe s SER 34 Ca 0.39 0.07 -0.10 0.00 1.31 0.00 0.00 55.95 57.62 2roe s SER 34 Cb -0.14 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2roe s SER 34 CO 0.19 -0.22 1.53 0.25 0.41 0.00 0.00 173.24 175.40 2roe h LEU 35 N 8.20 1.00 -2.05 2.44 5.85 -1.94 0.12 115.31 128.94 2roe h LEU 35 Ca -0.19 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 2roe h LEU 35 Cb 1.12 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2roe h LEU 35 CO 0.22 1.21 -0.00 1.05 -0.34 0.00 0.00 178.44 180.58 2roe h GLU 36 N 0.81 0.00 0.00 1.25 4.11 -1.97 -3.05 114.58 115.73 2roe h GLU 36 Ca 0.09 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.20 2roe h GLU 36 Cb 0.87 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 2roe h GLU 36 CO 0.08 0.00 -2.21 1.63 0.07 0.00 0.00 179.01 178.58 2roe n LYS 37 N -4.47 1.10 -1.20 1.06 5.02 -1.17 -5.01 118.16 113.50 2roe n LYS 37 Ca -0.03 -0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.25 2roe n LYS 37 Cb 0.09 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.94 0.43 3.51 0.72 0.00 0.42 -5.01 105.19 107.20 2roe n GLY 38 Ca -0.29 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.42 1.77 -0.21 1.61 8.01 -1.18 -0.78 118.70 125.50 2roe s GLU 39 Ca 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 54.97 53.14 2roe s GLU 39 Cb 0.00 -1.77 0.07 0.00 -4.31 0.00 0.00 34.13 28.11 2roe s GLU 39 CO 0.00 0.26 0.05 0.00 0.01 0.00 0.00 175.26 175.58 2roe s ALA 40 N -2.54 1.00 0.15 5.21 0.00 -0.15 -1.37 121.76 124.06 2roe s ALA 40 Ca 0.31 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 2roe s ALA 40 Cb -0.02 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 2roe s ALA 40 CO 0.16 -1.25 0.36 -0.51 0.00 0.00 0.00 175.76 174.52 2roe s LEU 41 N 1.87 4.26 -0.10 0.00 2.01 -0.37 -1.32 118.68 125.03 2roe s LEU 41 Ca 0.01 0.51 0.01 0.00 0.01 0.00 0.00 54.13 54.67 2roe s LEU 41 Cb -0.17 -3.24 0.02 0.00 0.01 0.00 0.00 46.19 42.81 2roe s LEU 41 CO -0.11 0.04 -0.11 -0.69 1.01 0.00 0.00 176.35 176.48 2roe s VAL 42 N -1.70 1.20 -0.74 -1.59 1.01 -0.41 -0.39 120.40 117.78 2roe s VAL 42 Ca 0.40 -0.45 0.25 0.00 0.00 0.00 0.00 61.98 62.17 2roe s VAL 42 Cb -0.12 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 35.18 2roe s VAL 42 CO 0.26 0.38 1.38 1.21 0.00 0.00 0.00 175.10 178.34 2roe n GLU 43 N 4.38 0.21 -0.72 2.72 0.00 -0.47 -2.35 120.64 124.41 2roe n GLU 43 Ca -0.18 0.07 -0.21 0.00 0.00 0.00 0.00 57.16 56.84 2roe n GLU 43 Cb 0.51 -1.64 0.18 0.00 0.00 0.00 0.00 31.44 30.49 2roe n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2roe n GLY 44 N 1.38 -2.72 0.26 8.31 0.00 -1.24 -4.80 105.19 106.38 2roe n GLY 44 Ca 0.04 -1.47 0.09 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 -4.20 0.00 -0.96 2.61 5.66 -0.14 -4.67 114.28 112.58 2roe n THR 45 Ca 0.11 -0.23 -0.34 0.00 -3.05 0.00 0.00 64.05 60.54 2roe n THR 45 Cb 0.42 1.14 0.10 0.00 -1.55 0.00 0.00 70.33 70.43 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 -0.57 -2.40 -1.86 1.79 0.00 -1.23 -5.00 120.51 111.24 2roe n ALA 46 Ca 0.06 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 2roe n ALA 46 Cb 0.34 -1.78 -0.07 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.78 7.14 0.33 0.00 1.01 -1.26 -4.99 116.67 117.13 2roe s ASP 47 Ca 0.59 1.69 0.04 0.00 0.71 0.00 0.00 52.55 55.58 2roe s ASP 47 Cb -0.25 -2.53 0.60 0.00 1.01 0.00 0.00 42.92 41.74 2roe s ASP 47 CO 0.65 -0.15 1.86 1.55 0.21 0.00 0.00 175.17 179.30 2roe h PRO 48 N 2.78 0.50 -0.89 8.23 0.13 -1.99 -2.65 132.00 138.12 2roe h PRO 48 Ca -0.48 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.52 2roe h PRO 48 Cb 1.19 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2roe h PRO 48 CO 0.64 0.55 0.50 1.57 -0.23 0.00 0.00 178.00 181.03 2roe h LYS 49 N 0.48 1.24 -0.29 0.86 2.10 -1.99 0.85 116.57 119.81 2roe h LYS 49 Ca 0.10 -0.14 -0.12 0.00 -2.00 0.00 0.00 60.65 58.49 2roe h LYS 49 Cb 0.36 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 2roe h LYS 49 CO 0.01 0.90 -0.32 0.00 -2.00 0.00 0.00 179.45 178.05 2roe h ALA 50 N 1.30 0.90 -0.17 0.07 0.00 -1.91 -1.83 119.26 117.62 2roe h ALA 50 Ca 0.31 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2roe h ALA 50 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2roe h ALA 50 CO -0.05 0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 179.74 2roe h LEU 51 N 0.53 0.30 -0.25 0.00 3.38 -1.05 -1.51 115.31 116.71 2roe h LEU 51 Ca 0.06 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2roe h LEU 51 Cb 0.80 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2roe h LEU 51 CO 0.07 0.56 0.09 0.58 0.09 0.00 0.00 178.44 179.83 2roe h VAL 52 N 0.04 0.94 -0.02 1.22 2.07 -0.76 -1.59 116.25 118.17 2roe h VAL 52 Ca 0.05 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2roe h VAL 52 Cb 0.41 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2roe h VAL 52 CO 0.01 0.04 0.01 -0.61 0.02 0.00 0.00 177.57 177.04 2roe h GLN 53 N 0.21 0.00 -0.56 1.57 5.75 -1.18 0.41 115.11 121.32 2roe h GLN 53 Ca 0.11 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 2roe h GLN 53 Cb 0.07 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2roe h GLN 53 CO -0.11 0.00 0.12 0.00 -2.65 0.00 0.00 178.83 176.19 2roe h ALA 54 N 1.99 1.16 0.12 3.38 0.00 -0.23 -2.44 119.26 123.24 2roe h ALA 54 Ca 0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 2roe h ALA 54 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2roe h ALA 54 CO -0.00 0.57 -1.20 0.28 0.00 0.00 0.00 179.25 178.90 2roe h VAL 55 N 0.84 1.20 0.00 0.00 2.07 -1.28 -3.28 116.25 115.79 2roe h VAL 55 Ca 0.18 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2roe h VAL 55 Cb 0.33 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2roe h VAL 55 CO 0.00 0.70 0.00 -0.62 0.02 0.00 0.00 177.57 177.67 2roe n GLU 56 N -4.01 0.09 -0.00 1.57 -0.58 0.05 -1.10 120.64 116.65 2roe n GLU 56 Ca -0.21 0.24 0.07 0.00 -0.42 0.00 0.00 57.16 56.84 2roe n GLU 56 Cb 0.87 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 30.15 2roe n GLU 56 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2roe n GLU 57 N -1.33 1.74 0.01 3.49 -0.58 -0.92 -4.38 120.64 118.68 2roe n GLU 57 Ca 0.03 -0.05 0.13 0.00 -0.42 0.00 0.00 57.16 56.86 2roe n GLU 57 Cb 0.07 -1.21 0.45 0.00 -0.57 0.00 0.00 31.44 30.17 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 -1.56 0.04 -0.01 3.49 -0.58 -0.26 -4.93 120.64 116.83 2roe n GLU 58 Ca 0.01 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2roe n GLU 58 Cb 0.27 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.47 1.90 3.30 0.62 0.00 -1.20 -5.10 105.19 106.19 2roe n GLY 59 Ca 0.06 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 1.50 -0.06 1.61 1.51 -1.19 -5.06 117.35 113.66 2roe s TYR 60 Ca 0.00 -1.32 -0.03 0.00 -1.01 0.00 0.00 57.07 54.71 2roe s TYR 60 Cb 0.00 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 2roe s TYR 60 CO 0.00 -0.50 0.10 0.21 -1.11 0.00 0.00 175.55 174.25 2roe s LYS 61 N -3.94 3.23 0.00 -0.62 2.20 -1.23 -3.83 119.74 115.56 2roe s LYS 61 Ca 0.37 -0.33 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 2roe s LYS 61 Cb 0.06 -2.99 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 2roe s LYS 61 CO 0.16 0.71 -0.05 0.00 -0.36 0.00 0.00 175.35 175.80 2roe s ALA 62 N -1.10 0.44 -0.14 3.13 0.00 -1.26 -1.87 121.76 120.95 2roe s ALA 62 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 2roe s ALA 62 Cb -0.12 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.95 2roe s ALA 62 CO 0.09 0.09 -0.04 -2.00 0.00 0.00 0.00 175.76 173.90 2roe s GLU 63 N -0.30 1.20 0.25 0.00 2.56 0.30 -4.98 118.70 117.73 2roe s GLU 63 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 54.97 54.36 2roe s GLU 63 Cb -0.03 -1.71 -0.09 0.00 2.00 0.00 0.00 34.13 34.30 2roe s GLU 63 CO -0.00 -0.39 1.02 0.54 -0.56 0.00 0.00 175.26 175.87 2roe s VAL 64 N 1.75 3.80 -0.37 3.70 0.11 -1.26 -0.38 120.40 127.75 2roe s VAL 64 Ca 0.02 1.79 0.06 0.00 -2.93 0.00 0.00 61.98 60.92 2roe s VAL 64 Cb -0.14 -4.14 0.44 0.00 -1.53 0.00 0.00 36.38 31.01 2roe s VAL 64 CO -0.07 0.41 1.14 0.18 -3.33 0.00 0.00 175.10 173.43 2roe n LEU 65 N 1.45 4.72 -0.18 2.54 4.77 -0.23 -4.94 117.00 125.14 2roe n LEU 65 Ca -0.01 -4.96 0.15 0.00 -0.03 0.00 0.00 56.01 51.16 2roe n LEU 65 Cb 0.46 -0.38 0.79 0.00 -2.33 0.00 0.00 43.42 41.96 2roe n LEU 65 CO 0.52 2.16 1.02 0.00 -1.33 0.00 0.00 177.39 179.76