#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 1.73 0.23 -0.89 1.43 -0.83 -4.97 118.68 115.37 2roe s LEU 2 Ca 0.00 -1.30 0.10 0.00 -1.03 0.00 0.00 54.13 51.90 2roe s LEU 2 Cb 0.00 0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.26 2roe s LEU 2 CO 0.00 -0.70 -0.17 -0.54 0.23 0.00 0.00 176.35 175.17 2roe s LYS 3 N -4.02 1.46 -0.24 1.70 1.02 -1.26 -1.34 119.74 117.06 2roe s LYS 3 Ca 0.32 -1.64 -0.15 0.00 0.02 0.00 0.00 55.97 54.52 2roe s LYS 3 Cb 0.07 -1.41 0.07 0.00 -0.52 0.00 0.00 37.83 36.04 2roe s LYS 3 CO 0.09 0.25 0.60 -0.51 -0.92 0.00 0.00 175.35 174.86 2roe s LEU 4 N -3.31 -0.60 -0.26 3.17 1.43 -1.02 -4.02 118.68 114.07 2roe s LEU 4 Ca 0.25 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.53 2roe s LEU 4 Cb -0.03 2.04 -0.05 0.00 0.03 0.00 0.00 46.19 48.18 2roe s LEU 4 CO 0.10 -0.22 0.19 -0.75 0.23 0.00 0.00 176.35 175.90 2roe s LYS 5 N 1.33 4.02 0.02 1.70 2.36 -0.10 -1.39 119.74 127.68 2roe s LYS 5 Ca -0.08 -0.26 0.06 0.00 -2.55 0.00 0.00 55.97 53.14 2roe s LYS 5 Cb -0.06 -3.60 -0.03 0.00 -1.05 0.00 0.00 37.83 33.09 2roe s LYS 5 CO -0.14 -0.07 -0.15 0.08 1.55 0.00 0.00 175.35 176.62 2roe s VAL 6 N 1.44 3.02 -0.05 4.02 1.01 0.15 -1.66 120.40 128.33 2roe s VAL 6 Ca 0.08 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 2roe s VAL 6 Cb -0.15 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.98 2roe s VAL 6 CO 0.08 0.38 -0.01 -0.70 0.00 0.00 0.00 175.10 174.84 2roe s GLU 7 N -1.36 0.62 0.00 2.72 -6.30 0.53 -4.64 118.70 110.27 2roe s GLU 7 Ca 0.15 0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.65 2roe s GLU 7 Cb -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 34.13 33.20 2roe s GLU 7 CO 0.05 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.55 2roe n GLY 8 N 4.57 1.73 3.73 -1.50 0.00 -1.26 -1.66 105.19 110.79 2roe n GLY 8 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.25 0.00 1.61 -1.94 -1.26 -4.89 119.30 117.07 2roe s MET 9 Ca 0.00 2.31 0.00 0.00 -1.71 0.00 0.00 55.69 56.29 2roe s MET 9 Cb 0.00 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.69 2roe s MET 9 CO 0.00 -0.52 0.00 -2.37 -0.01 0.00 0.00 175.02 172.12 2roe n THR 10 N 3.32 0.00 -4.27 2.05 5.66 -1.26 -5.04 114.28 114.75 2roe n THR 10 Ca 0.11 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.96 2roe n THR 10 Cb 0.40 0.06 -0.10 0.00 -1.55 0.00 0.00 70.33 69.14 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 2.55 0.62 -0.59 0.00 4.21 -2.00 -0.30 115.58 120.07 2roe h ASN 12 Ca -0.37 0.03 0.02 0.00 1.21 0.00 0.00 56.30 57.19 2roe h ASN 12 Cb 1.23 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 38.31 2roe h ASN 12 CO 0.61 0.32 0.38 -0.74 -1.29 0.00 0.00 177.43 176.70 2roe h HIS 13 N 0.66 0.71 -0.61 1.19 -0.00 -2.00 -2.17 115.15 112.93 2roe h HIS 13 Ca 0.42 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.82 2roe h HIS 13 Cb 0.70 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.84 2roe h HIS 13 CO -0.00 0.42 0.40 0.00 -0.00 0.00 0.00 177.93 178.75 2roe h VAL 15 N 0.82 0.53 -0.67 0.00 2.07 -1.22 -2.09 116.25 115.68 2roe h VAL 15 Ca 0.23 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.70 2roe h VAL 15 Cb -0.08 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2roe h VAL 15 CO -0.06 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.75 2roe h MET 16 N -0.46 1.01 0.74 1.57 -0.00 -1.20 0.84 114.93 117.43 2roe h MET 16 Ca 0.00 -0.20 -0.03 0.00 -0.00 0.00 0.00 59.70 59.47 2roe h MET 16 Cb 0.43 -0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 31.87 2roe h MET 16 CO -0.06 0.86 -0.50 0.00 -0.00 0.00 0.00 176.91 177.21 2roe h ALA 17 N 1.26 -1.25 -0.82 -3.00 0.00 -1.02 0.34 119.26 114.78 2roe h ALA 17 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2roe h ALA 17 Cb 0.26 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2roe h ALA 17 CO -0.01 -1.22 0.47 0.28 0.00 0.00 0.00 179.25 178.76 2roe h VAL 18 N -1.17 1.23 0.21 0.00 2.07 -1.34 -1.01 116.25 116.24 2roe h VAL 18 Ca -0.10 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2roe h VAL 18 Cb 0.96 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2roe h VAL 18 CO 0.07 0.25 -0.15 0.74 0.02 0.00 0.00 177.57 178.50 2roe h THR 19 N 1.13 0.67 -0.56 2.57 2.02 -0.48 0.26 112.91 118.52 2roe h THR 19 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 2roe h THR 19 Cb -0.01 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2roe h THR 19 CO -0.05 0.00 0.31 0.11 0.37 0.00 0.00 175.52 176.26 2roe h LYS 20 N -0.37 0.78 -0.47 6.66 1.57 -0.53 -2.71 116.57 121.50 2roe h LYS 20 Ca -0.01 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2roe h LYS 20 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2roe h LYS 20 CO -0.01 0.60 -0.03 0.00 -0.57 0.00 0.00 179.45 179.44 2roe h ALA 21 N 1.14 1.05 -0.80 3.86 0.00 -1.01 -2.88 119.26 120.62 2roe h ALA 21 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2roe h ALA 21 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2roe h ALA 21 CO -0.03 0.59 0.36 -0.07 0.00 0.00 0.00 179.25 180.10 2roe h LEU 22 N 0.75 1.06 -0.35 0.00 3.38 -0.68 -2.22 115.31 117.25 2roe h LEU 22 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2roe h LEU 22 Cb 0.50 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2roe h LEU 22 CO 0.03 0.91 0.00 0.29 0.09 0.00 0.00 178.44 179.75 2roe n LYS 23 N -4.30 0.07 0.20 1.13 5.02 -1.05 -2.31 118.16 116.92 2roe n LYS 23 Ca 0.08 0.39 0.14 0.00 -2.02 0.00 0.00 58.31 56.89 2roe n LYS 23 Cb 0.15 -1.65 0.44 0.00 -0.02 0.00 0.00 35.03 33.95 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 -6.71 1.97 1.57 -1.39 -3.45 116.57 108.56 2roe h LYS 24 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2roe h LYS 24 Cb 0.21 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.57 2roe h LYS 24 CO 0.00 0.00 0.77 0.08 -0.57 0.00 0.00 179.45 179.73 2roe s VAL 25 N -3.35 2.72 -0.18 0.50 1.01 -0.98 -4.93 120.40 115.20 2roe s VAL 25 Ca 0.05 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 2roe s VAL 25 Cb 0.08 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2roe s VAL 25 CO 0.56 0.08 1.65 -2.16 0.00 0.00 0.00 175.10 175.23 2roe s PRO 26 N -0.05 3.86 0.00 2.72 0.04 -1.26 -2.05 135.00 138.27 2roe s PRO 26 Ca 0.61 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2roe s PRO 26 Cb -0.42 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.09 2roe s PRO 26 CO 0.40 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2roe n GLY 27 N 4.57 0.86 3.72 0.56 0.00 -1.26 -4.36 105.19 109.27 2roe n GLY 27 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 4.81 -0.09 1.61 1.01 -0.87 -0.43 120.40 124.44 2roe s VAL 28 Ca 0.00 1.97 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 2roe s VAL 28 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2roe s VAL 28 CO 0.00 0.21 -0.21 -0.62 0.00 0.00 0.00 175.10 174.48 2roe n GLU 29 N 3.61 0.31 -4.15 2.72 -0.58 -1.26 -4.92 120.64 116.39 2roe n GLU 29 Ca 0.04 0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.80 2roe n GLU 29 Cb 0.51 -1.03 -0.10 0.00 -0.57 0.00 0.00 31.44 30.25 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 -2.30 0.77 0.03 3.49 2.20 -1.26 -4.95 119.74 117.72 2roe s LYS 30 Ca -0.17 -1.22 -0.02 0.00 -0.36 0.00 0.00 55.97 54.19 2roe s LYS 30 Cb 0.02 -0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 2roe s LYS 30 CO 0.26 -0.01 0.01 0.14 -0.36 0.00 0.00 175.35 175.39 2roe s VAL 31 N -3.23 0.15 -0.18 4.02 -7.23 -1.26 -1.79 120.40 110.88 2roe s VAL 31 Ca 0.08 -1.23 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2roe s VAL 31 Cb 0.03 -0.83 0.09 0.00 0.56 0.00 0.00 36.38 36.22 2roe s VAL 31 CO -0.04 -0.68 0.22 -0.70 -0.31 0.00 0.00 175.10 173.59 2roe s GLU 32 N -2.54 0.17 0.11 4.82 2.56 -0.51 -5.00 118.70 118.31 2roe s GLU 32 Ca -0.06 0.31 0.08 0.00 0.00 0.00 0.00 54.97 55.30 2roe s GLU 32 Cb -0.02 -0.97 -0.04 0.00 2.00 0.00 0.00 34.13 35.10 2roe s GLU 32 CO -0.05 -0.58 -0.13 0.08 -0.56 0.00 0.00 175.26 174.02 2roe s VAL 33 N 2.34 3.17 -0.04 3.70 1.01 -1.26 -0.65 120.40 128.67 2roe s VAL 33 Ca 0.06 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.73 2roe s VAL 33 Cb -0.15 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 2roe s VAL 33 CO -0.11 0.11 -0.16 -0.55 0.00 0.00 0.00 175.10 174.39 2roe s SER 34 N -2.16 2.01 0.30 3.32 0.15 -0.74 -5.01 113.70 111.57 2roe s SER 34 Ca 0.20 -0.33 0.21 0.00 0.70 0.00 0.00 55.95 56.74 2roe s SER 34 Cb -0.11 -0.55 0.14 0.00 -1.71 0.00 0.00 66.02 63.79 2roe s SER 34 CO 0.12 0.14 1.32 0.25 1.20 0.00 0.00 173.24 176.27 2roe h LEU 35 N 6.27 0.00 0.17 3.45 5.85 -1.97 -2.69 115.31 126.39 2roe h LEU 35 Ca -0.33 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.06 2roe h LEU 35 Cb 1.17 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.21 2roe h LEU 35 CO 0.48 0.11 -1.63 -0.08 -0.34 0.00 0.00 178.44 176.97 2roe h GLU 36 N 0.00 0.36 0.00 1.25 4.81 -1.96 -3.39 114.58 115.65 2roe h GLU 36 Ca -0.01 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2roe h GLU 36 Cb 1.10 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2roe h GLU 36 CO 0.01 1.26 -1.23 1.63 -0.73 0.00 0.00 179.01 179.95 2roe n LYS 37 N -3.55 0.20 -2.78 1.92 5.02 -1.25 -5.00 118.16 112.72 2roe n LYS 37 Ca -0.20 -0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 55.82 2roe n LYS 37 Cb 1.07 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 34.58 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 1.42 -0.48 3.40 0.72 0.00 -1.02 -4.93 105.19 104.30 2roe n GLY 38 Ca 0.02 0.06 -0.29 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 -5.44 1.55 -0.31 1.61 0.41 -1.25 -0.67 118.70 114.60 2roe s GLU 39 Ca 0.19 -1.27 -0.02 0.00 -0.41 0.00 0.00 54.97 53.46 2roe s GLU 39 Cb -0.08 -1.96 0.10 0.00 -1.78 0.00 0.00 34.13 30.42 2roe s GLU 39 CO 0.24 0.47 0.12 0.00 -0.49 0.00 0.00 175.26 175.60 2roe s ALA 40 N -1.02 1.21 0.31 5.21 0.00 -0.49 -1.79 121.76 125.19 2roe s ALA 40 Ca 0.14 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.38 2roe s ALA 40 Cb -0.10 -1.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 2roe s ALA 40 CO 0.06 -1.71 0.80 -0.51 0.00 0.00 0.00 175.76 174.39 2roe s LEU 41 N 1.68 4.17 0.13 0.00 2.01 0.18 -2.45 118.68 124.40 2roe s LEU 41 Ca 0.11 1.47 0.10 0.00 0.01 0.00 0.00 54.13 55.81 2roe s LEU 41 Cb -0.18 -3.99 -0.04 0.00 0.01 0.00 0.00 46.19 42.00 2roe s LEU 41 CO -0.26 -0.13 -0.23 -0.69 1.01 0.00 0.00 176.35 176.04 2roe s VAL 42 N -1.81 2.02 0.00 -1.59 1.01 -0.45 -1.42 120.40 118.15 2roe s VAL 42 Ca 0.51 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.77 2roe s VAL 42 Cb -0.13 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2roe s VAL 42 CO 0.19 -0.03 0.01 1.21 0.00 0.00 0.00 175.10 176.47 2roe n GLU 43 N 0.84 5.17 -0.09 2.72 4.07 -0.74 -1.96 120.64 130.66 2roe n GLU 43 Ca -0.17 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 2roe n GLU 43 Cb 0.54 -0.39 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 2roe n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2roe n GLY 44 N 0.74 -0.72 1.34 8.31 0.00 -1.26 -4.24 105.19 109.37 2roe n GLY 44 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.53 0.95 -1.18 2.61 -2.24 0.43 -3.90 114.28 109.42 2roe n THR 45 Ca 0.00 -0.97 -0.34 0.00 -2.27 0.00 0.00 64.05 60.47 2roe n THR 45 Cb 0.00 0.55 0.12 0.00 -2.10 0.00 0.00 70.33 68.90 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roe s ALA 46 N -1.05 1.89 0.31 6.98 0.00 -0.90 -4.88 121.76 124.11 2roe s ALA 46 Ca 0.48 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 2roe s ALA 46 Cb 0.25 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2roe s ALA 46 CO 0.33 -2.23 0.73 -0.51 0.00 0.00 0.00 175.76 174.09 2roe s ASP 47 N -2.10 6.80 0.22 0.00 1.11 -1.26 -4.99 116.67 116.44 2roe s ASP 47 Ca 0.74 1.29 -0.04 0.00 0.18 0.00 0.00 52.55 54.72 2roe s ASP 47 Cb -0.29 -2.38 0.21 0.00 1.07 0.00 0.00 42.92 41.53 2roe s ASP 47 CO 0.50 -0.18 1.65 1.55 1.18 0.00 0.00 175.17 179.86 2roe h PRO 48 N 2.38 0.78 -0.81 8.23 0.13 -1.98 -2.40 132.00 138.32 2roe h PRO 48 Ca -0.48 -0.30 0.11 0.00 -0.87 0.00 0.00 66.00 64.46 2roe h PRO 48 Cb 1.18 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 2roe h PRO 48 CO 0.65 0.91 0.53 1.57 -0.23 0.00 0.00 178.00 181.43 2roe h LYS 49 N 0.69 0.69 0.04 0.86 2.10 -2.01 -1.75 116.57 117.19 2roe h LYS 49 Ca 0.10 -0.04 -0.26 0.00 -2.00 0.00 0.00 60.65 58.45 2roe h LYS 49 Cb 0.69 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.84 2roe h LYS 49 CO 0.05 0.46 -1.31 0.00 -2.00 0.00 0.00 179.45 176.65 2roe h ALA 50 N 1.60 0.40 0.27 0.07 0.00 -1.93 -3.22 119.26 116.47 2roe h ALA 50 Ca 0.38 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2roe h ALA 50 Cb 0.50 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2roe h ALA 50 CO -0.15 1.27 -0.13 -0.07 0.00 0.00 0.00 179.25 180.17 2roe h LEU 51 N 0.02 -0.31 -0.93 0.00 3.38 -0.83 -1.84 115.31 114.80 2roe h LEU 51 Ca -0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2roe h LEU 51 Cb 1.90 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.69 2roe h LEU 51 CO 0.13 -0.06 0.52 1.62 0.09 0.00 0.00 178.44 180.74 2roe h VAL 52 N -0.56 1.26 -0.42 1.22 3.04 -1.54 -2.60 116.25 116.65 2roe h VAL 52 Ca -0.04 -0.62 0.05 0.00 -1.01 0.00 0.00 66.70 65.08 2roe h VAL 52 Cb 0.41 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.65 2roe h VAL 52 CO 0.06 0.29 0.13 -0.61 -1.01 0.00 0.00 177.57 176.43 2roe h GLN 53 N 1.28 0.28 0.00 4.17 -0.00 -1.54 -0.57 115.11 118.73 2roe h GLN 53 Ca 0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.96 2roe h GLN 53 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.42 2roe h GLN 53 CO -0.05 0.19 0.00 0.00 0.00 0.00 0.00 178.83 178.96 2roe h ALA 54 N 1.28 1.00 0.06 3.38 0.00 -0.93 -0.64 119.26 123.42 2roe h ALA 54 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.73 2roe h ALA 54 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2roe h ALA 54 CO -0.21 0.00 -2.21 0.28 0.00 0.00 0.00 179.25 177.10 2roe n VAL 55 N -2.89 1.64 0.10 0.00 0.31 -0.34 -4.18 118.33 112.97 2roe n VAL 55 Ca -0.03 -0.63 -0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2roe n VAL 55 Cb 0.07 -1.55 0.30 0.00 -0.91 0.00 0.00 33.84 31.74 2roe n VAL 55 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2roe h GLU 56 N 0.04 0.25 0.00 5.55 5.08 -0.65 -1.30 114.58 123.55 2roe h GLU 56 Ca -0.49 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2roe h GLU 56 Cb 1.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2roe h GLU 56 CO 0.01 0.51 0.00 -0.85 -1.00 0.00 0.00 179.01 177.68 2roe n GLU 57 N -4.14 0.13 0.00 2.33 0.28 -0.30 -0.62 120.64 118.31 2roe n GLU 57 Ca -0.01 0.41 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 2roe n GLU 57 Cb 0.38 -1.76 0.20 0.00 1.43 0.00 0.00 31.44 31.69 2roe n GLU 57 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2roe n GLU 58 N -2.00 0.65 -0.44 3.44 -0.58 -0.51 -4.96 120.64 116.23 2roe n GLU 58 Ca 0.02 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 2roe n GLU 58 Cb 0.18 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.41 0.74 3.91 0.62 0.00 0.21 -5.07 105.19 107.00 2roe n GLY 59 Ca 0.09 0.00 -0.27 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 -2.67 3.55 -0.30 1.61 1.51 -1.12 -4.99 117.35 114.94 2roe s TYR 60 Ca 0.00 0.74 -0.13 0.00 -1.01 0.00 0.00 57.07 56.67 2roe s TYR 60 Cb 0.00 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 2roe s TYR 60 CO 0.00 -0.21 0.29 0.21 -1.11 0.00 0.00 175.55 174.73 2roe s LYS 61 N -4.67 3.82 0.25 -0.62 2.20 -0.67 -3.77 119.74 116.28 2roe s LYS 61 Ca 0.46 -0.28 0.07 0.00 -0.36 0.00 0.00 55.97 55.86 2roe s LYS 61 Cb -0.10 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 2roe s LYS 61 CO 0.43 -0.33 -0.09 0.00 -0.36 0.00 0.00 175.35 175.01 2roe s ALA 62 N 1.91 2.20 -0.17 3.13 0.00 -1.26 -0.34 121.76 127.23 2roe s ALA 62 Ca 0.10 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 49.97 2roe s ALA 62 Cb -0.16 0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.15 2roe s ALA 62 CO 0.11 -0.03 0.82 -1.83 0.00 0.00 0.00 175.76 174.83 2roe s GLU 63 N -3.70 0.81 0.47 0.00 -1.05 -0.66 -5.00 118.70 109.56 2roe s GLU 63 Ca 0.27 0.47 -0.20 0.00 -0.15 0.00 0.00 54.97 55.36 2roe s GLU 63 Cb 0.02 0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 2roe s GLU 63 CO 0.10 -0.20 0.98 0.54 0.95 0.00 0.00 175.26 177.63 2roe s VAL 64 N -0.56 4.24 -0.95 1.83 0.11 -1.26 -0.93 120.40 122.89 2roe s VAL 64 Ca -0.04 1.32 0.11 0.00 -2.93 0.00 0.00 61.98 60.44 2roe s VAL 64 Cb -0.02 -3.57 0.30 0.00 -1.53 0.00 0.00 36.38 31.56 2roe s VAL 64 CO 0.03 -0.37 1.24 0.18 -3.33 0.00 0.00 175.10 172.86 2roe n LEU 65 N -0.94 2.90 0.00 2.54 4.77 -1.26 -4.87 117.00 120.14 2roe n LEU 65 Ca 0.08 -1.97 0.15 0.00 -0.03 0.00 0.00 56.01 54.23 2roe n LEU 65 Cb 0.54 -0.23 0.87 0.00 -2.33 0.00 0.00 43.42 42.27 2roe n LEU 65 CO 0.40 0.72 1.04 0.00 -1.33 0.00 0.00 177.39 178.21