#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 4.12 -0.11 -0.89 1.43 -0.10 -4.85 118.68 118.27 2roe s LEU 2 Ca 0.00 2.40 0.02 0.00 -1.03 0.00 0.00 54.13 55.52 2roe s LEU 2 Cb 0.00 -4.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 2roe s LEU 2 CO 0.00 -0.83 -0.19 -0.54 0.23 0.00 0.00 176.35 175.02 2roe s LYS 3 N -2.46 3.21 0.20 1.70 1.02 -1.26 -1.49 119.74 120.67 2roe s LYS 3 Ca 0.60 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.84 2roe s LYS 3 Cb -0.32 -2.46 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 2roe s LYS 3 CO 0.39 0.20 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.50 2roe s LEU 4 N 0.33 2.20 -0.07 3.17 1.43 0.15 -1.20 118.68 124.69 2roe s LEU 4 Ca -0.15 -1.18 0.02 0.00 -1.03 0.00 0.00 54.13 51.80 2roe s LEU 4 Cb -0.17 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 45.86 2roe s LEU 4 CO 0.07 -0.51 -0.12 -0.75 0.23 0.00 0.00 176.35 175.28 2roe s LYS 5 N -3.87 1.72 0.05 1.70 2.36 0.58 -1.97 119.74 120.32 2roe s LYS 5 Ca 0.25 -0.40 0.09 0.00 -2.55 0.00 0.00 55.97 53.36 2roe s LYS 5 Cb 0.05 -1.47 -0.03 0.00 -1.05 0.00 0.00 37.83 35.34 2roe s LYS 5 CO 0.06 -0.02 -0.24 0.08 1.55 0.00 0.00 175.35 176.78 2roe s VAL 6 N 0.83 2.36 -0.18 4.02 1.01 -0.30 -0.82 120.40 127.32 2roe s VAL 6 Ca -0.11 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 2roe s VAL 6 Cb -0.15 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.33 2roe s VAL 6 CO 0.02 0.34 0.07 -0.70 0.00 0.00 0.00 175.10 174.82 2roe s GLU 7 N -1.37 0.28 0.00 2.72 2.56 0.50 -4.43 118.70 118.96 2roe s GLU 7 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.97 54.88 2roe s GLU 7 Cb -0.10 -1.94 0.00 0.00 2.00 0.00 0.00 34.13 34.09 2roe s GLU 7 CO 0.03 -0.66 0.00 0.41 -0.56 0.00 0.00 175.26 174.48 2roe n GLY 8 N 5.19 0.49 3.70 -1.50 0.00 -1.26 -2.71 105.19 109.11 2roe n GLY 8 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 4.35 0.00 1.61 -1.94 -1.26 -4.89 119.30 117.17 2roe s MET 9 Ca 0.00 1.87 0.00 0.00 -1.71 0.00 0.00 55.69 55.85 2roe s MET 9 Cb 0.00 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.39 2roe s MET 9 CO 0.00 -0.43 0.07 0.25 -0.01 0.00 0.00 175.02 174.90 2roe n THR 10 N 4.31 0.00 -4.00 2.05 -2.24 -1.26 -4.88 114.28 108.27 2roe n THR 10 Ca 0.11 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 2roe n THR 10 Cb 0.45 1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 69.87 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 2.64 0.86 -0.89 0.00 4.21 -2.00 -1.48 115.58 118.92 2roe h ASN 12 Ca -0.33 0.04 0.08 0.00 1.21 0.00 0.00 56.30 57.30 2roe h ASN 12 Cb 1.22 -0.13 -0.06 0.00 -1.12 0.00 0.00 38.32 38.23 2roe h ASN 12 CO 0.51 0.49 0.58 -0.74 -1.29 0.00 0.00 177.43 176.98 2roe h HIS 13 N 0.96 1.00 -0.26 1.19 2.76 -2.00 -1.54 115.15 117.25 2roe h HIS 13 Ca 0.45 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 2roe h HIS 13 Cb 0.38 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2roe h HIS 13 CO -0.02 0.50 0.17 0.00 -1.30 0.00 0.00 177.93 177.27 2roe h VAL 15 N 0.35 0.88 -0.61 0.00 2.07 -1.28 -1.71 116.25 115.94 2roe h VAL 15 Ca 0.10 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 2roe h VAL 15 Cb -0.04 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2roe h VAL 15 CO -0.02 0.02 0.02 0.00 0.02 0.00 0.00 177.57 177.61 2roe h MET 16 N 0.11 1.05 0.15 1.57 -0.00 -1.16 0.99 114.93 117.64 2roe h MET 16 Ca 0.11 -0.32 0.01 0.00 -0.00 0.00 0.00 59.70 59.50 2roe h MET 16 Cb 0.11 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 31.59 2roe h MET 16 CO -0.15 1.01 -0.18 0.00 -0.00 0.00 0.00 176.91 177.58 2roe h ALA 17 N 1.05 -0.34 -0.04 -3.00 0.00 -0.83 0.48 119.26 116.57 2roe h ALA 17 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2roe h ALA 17 Cb 0.52 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2roe h ALA 17 CO 0.03 -0.72 0.02 0.28 0.00 0.00 0.00 179.25 178.86 2roe h VAL 18 N -0.38 1.05 -0.24 0.00 2.07 -1.26 -1.41 116.25 116.09 2roe h VAL 18 Ca 0.01 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2roe h VAL 18 Cb 0.37 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2roe h VAL 18 CO -0.07 0.04 -0.07 0.74 0.02 0.00 0.00 177.57 178.23 2roe h THR 19 N 0.01 0.75 -0.32 2.57 2.02 -0.59 -0.61 112.91 116.75 2roe h THR 19 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2roe h THR 19 Cb 0.04 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2roe h THR 19 CO -0.00 0.00 0.20 0.11 0.37 0.00 0.00 175.52 176.20 2roe h LYS 20 N -0.01 0.43 -0.48 6.66 1.79 -0.72 -1.19 116.57 123.05 2roe h LYS 20 Ca 0.12 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.60 2roe h LYS 20 Cb 0.19 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 2roe h LYS 20 CO -0.25 0.30 0.21 0.00 -1.08 0.00 0.00 179.45 178.64 2roe h ALA 21 N 1.10 0.59 -0.28 3.86 0.00 -0.74 -1.41 119.26 122.38 2roe h ALA 21 Ca 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2roe h ALA 21 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2roe h ALA 21 CO -0.02 -0.16 0.00 -0.07 0.00 0.00 0.00 179.25 179.00 2roe h LEU 22 N 0.42 0.38 -0.10 0.00 3.38 -0.77 -1.53 115.31 117.08 2roe h LEU 22 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2roe h LEU 22 Cb 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2roe h LEU 22 CO -0.18 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.09 2roe n LYS 23 N -4.32 0.09 0.00 1.13 5.02 -0.48 -3.11 118.16 116.49 2roe n LYS 23 Ca 0.01 0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 2roe n LYS 23 Cb 0.22 -1.63 0.61 0.00 -0.02 0.00 0.00 35.03 34.21 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 -1.79 0.20 -2.43 1.97 5.02 -0.58 -4.84 118.16 115.71 2roe n LYS 24 Ca 0.05 0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 56.00 2roe n LYS 24 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.77 3.42 -0.34 -0.18 1.01 -1.18 -4.99 120.40 115.37 2roe s VAL 25 Ca 0.19 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 2roe s VAL 25 Cb 0.17 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2roe s VAL 25 CO 0.43 0.20 1.39 -2.16 0.00 0.00 0.00 175.10 174.96 2roe s PRO 26 N -1.91 3.74 0.00 2.72 0.04 -1.26 -3.08 135.00 135.24 2roe s PRO 26 Ca 0.51 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2roe s PRO 26 Cb -0.30 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2roe s PRO 26 CO 0.38 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2roe n GLY 27 N 4.72 0.86 3.78 0.56 0.00 -1.26 -4.35 105.19 109.50 2roe n GLY 27 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 3.93 0.08 1.61 0.11 -1.18 -1.08 120.40 121.88 2roe s VAL 28 Ca 0.00 1.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.57 2roe s VAL 28 Cb 0.00 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2roe s VAL 28 CO 0.00 0.05 0.00 -0.62 -3.33 0.00 0.00 175.10 171.20 2roe n GLU 29 N 0.17 0.00 -4.14 1.54 -0.58 -1.26 -4.91 120.64 111.46 2roe n GLU 29 Ca 0.04 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.63 2roe n GLU 29 Cb 0.50 -0.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 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 -2.00 0.75 0.01 3.49 2.47 -1.26 -4.96 119.74 118.24 2roe s LYS 30 Ca 0.00 -1.00 0.00 0.00 -1.56 0.00 0.00 55.97 53.41 2roe s LYS 30 Cb 0.00 -0.53 -0.01 0.00 -1.46 0.00 0.00 37.83 35.83 2roe s LYS 30 CO 0.00 0.10 -0.02 0.08 0.16 0.00 0.00 175.35 175.67 2roe s VAL 31 N -1.88 0.10 -0.34 4.02 1.01 -1.26 -1.93 120.40 120.12 2roe s VAL 31 Ca -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2roe s VAL 31 Cb -0.06 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.25 2roe s VAL 31 CO 0.01 -0.22 0.07 -1.61 0.00 0.00 0.00 175.10 173.35 2roe s GLU 32 N -0.70 1.22 -0.27 2.72 0.41 -0.33 -4.96 118.70 116.79 2roe s GLU 32 Ca -0.07 -1.62 -0.07 0.00 -0.41 0.00 0.00 54.97 52.80 2roe s GLU 32 Cb -0.05 -2.77 -0.01 0.00 -1.78 0.00 0.00 34.13 29.52 2roe s GLU 32 CO -0.00 -0.96 0.07 0.08 -0.49 0.00 0.00 175.26 173.95 2roe s VAL 33 N 1.11 4.10 0.90 2.63 1.01 -1.26 -0.97 120.40 127.92 2roe s VAL 33 Ca 0.11 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 2roe s VAL 33 Cb -0.19 -3.01 0.15 0.00 0.00 0.00 0.00 36.38 33.34 2roe s VAL 33 CO -0.14 0.22 1.26 -0.44 0.00 0.00 0.00 175.10 176.01 2roe s SER 34 N 1.55 3.66 0.00 3.32 0.01 -0.62 -5.02 113.70 116.60 2roe s SER 34 Ca 0.05 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2roe s SER 34 Cb -0.16 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2roe s SER 34 CO 0.03 -2.41 0.00 -0.11 0.41 0.00 0.00 173.24 171.16 2roe n LEU 35 N -3.58 1.04 -0.10 2.44 7.94 -1.26 -4.67 117.00 118.80 2roe n LEU 35 Ca 0.12 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.90 2roe n LEU 35 Cb 0.60 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.40 2roe n LEU 35 CO 0.50 0.17 -1.16 -1.84 -1.11 0.00 0.00 177.39 173.95 2roe n GLU 36 N -2.03 0.68 0.19 1.96 0.28 -1.26 -4.42 120.64 116.04 2roe n GLU 36 Ca 0.00 0.06 0.14 0.00 -0.16 0.00 0.00 57.16 57.19 2roe n GLU 36 Cb 0.44 -1.54 0.46 0.00 1.43 0.00 0.00 31.44 32.23 2roe n GLU 36 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2roe h LYS 37 N 0.00 0.00 -3.42 3.44 1.57 -1.98 -3.47 116.57 112.70 2roe h LYS 37 Ca -0.54 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 57.88 2roe h LYS 37 Cb 2.14 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.48 2roe h LYS 37 CO 0.00 0.00 -0.51 0.41 -0.57 0.00 0.00 179.45 178.78 2roe n GLY 38 N 0.53 -0.39 3.14 3.86 0.00 -1.26 -4.97 105.19 106.10 2roe n GLY 38 Ca 0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.29 0.75 0.04 1.61 2.02 -1.26 -1.14 118.70 115.43 2roe s GLU 39 Ca 0.15 -1.03 0.03 0.00 0.02 0.00 0.00 54.97 54.15 2roe s GLU 39 Cb -0.07 -0.49 -0.02 0.00 0.10 0.00 0.00 34.13 33.65 2roe s GLU 39 CO 0.19 0.08 -0.09 0.00 0.02 0.00 0.00 175.26 175.46 2roe s ALA 40 N -2.04 0.74 0.05 5.21 0.00 -0.83 -1.60 121.76 123.29 2roe s ALA 40 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 2roe s ALA 40 Cb -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2roe s ALA 40 CO 0.00 0.05 -0.01 -0.51 0.00 0.00 0.00 175.76 175.29 2roe s LEU 41 N -1.45 2.37 0.01 0.00 1.43 -0.14 -0.67 118.68 120.23 2roe s LEU 41 Ca -0.06 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.17 2roe s LEU 41 Cb -0.09 0.25 -0.01 0.00 0.03 0.00 0.00 46.19 46.37 2roe s LEU 41 CO 0.01 -0.56 -0.08 -0.69 0.23 0.00 0.00 176.35 175.26 2roe s VAL 42 N -3.54 0.60 -0.22 -1.59 1.01 -0.55 -1.19 120.40 114.93 2roe s VAL 42 Ca 0.03 -0.56 0.12 0.00 0.00 0.00 0.00 61.98 61.57 2roe s VAL 42 Cb 0.05 -0.55 -0.21 0.00 0.00 0.00 0.00 36.38 35.66 2roe s VAL 42 CO -0.09 0.01 -0.04 1.21 0.00 0.00 0.00 175.10 176.19 2roe n GLU 43 N 2.45 0.74 -0.32 2.72 0.00 -0.81 -0.93 120.64 124.48 2roe n GLU 43 Ca -0.16 0.05 -0.29 0.00 0.00 0.00 0.00 57.16 56.76 2roe n GLU 43 Cb 0.57 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.77 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 1.99 -3.35 0.56 8.31 0.00 -1.26 -4.80 105.19 106.64 2roe n GLY 44 Ca -0.37 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.27 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 -5.48 0.30 -1.40 2.61 5.66 -0.24 -4.85 114.28 110.88 2roe n THR 45 Ca 0.10 -0.37 -0.37 0.00 -3.05 0.00 0.00 64.05 60.36 2roe n THR 45 Cb 0.56 0.29 0.06 0.00 -1.55 0.00 0.00 70.33 69.69 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 0.34 -0.87 -1.94 1.79 0.00 -1.19 -4.91 120.51 113.73 2roe n ALA 46 Ca 0.14 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2roe n ALA 46 Cb 0.30 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.39 7.10 0.27 0.00 1.01 -1.26 -4.99 116.67 117.41 2roe s ASP 47 Ca 0.70 1.60 -0.03 0.00 0.71 0.00 0.00 52.55 55.53 2roe s ASP 47 Cb -0.38 -2.49 0.36 0.00 1.01 0.00 0.00 42.92 41.41 2roe s ASP 47 CO 0.53 -0.11 1.85 1.55 0.21 0.00 0.00 175.17 179.21 2roe h PRO 48 N 2.90 0.97 -0.22 8.23 0.13 -2.00 -2.76 132.00 139.26 2roe h PRO 48 Ca -0.48 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 64.52 2roe h PRO 48 Cb 1.19 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 2roe h PRO 48 CO 0.64 0.79 0.08 0.87 -0.23 0.00 0.00 178.00 180.15 2roe h LYS 49 N 0.96 0.18 0.00 0.86 6.56 -2.00 -1.14 116.57 121.99 2roe h LYS 49 Ca 0.23 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.76 2roe h LYS 49 Cb 0.17 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 2roe h LYS 49 CO -0.02 0.12 -0.23 0.00 -2.06 0.00 0.00 179.45 177.26 2roe h ALA 50 N 1.13 1.11 0.16 3.86 0.00 -1.94 -2.51 119.26 121.07 2roe h ALA 50 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2roe h ALA 50 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2roe h ALA 50 CO -0.09 0.29 -0.08 -0.07 0.00 0.00 0.00 179.25 179.30 2roe h LEU 51 N 0.00 -0.18 -0.65 0.00 3.38 -1.09 -2.64 115.31 114.13 2roe h LEU 51 Ca -0.00 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.71 2roe h LEU 51 Cb 0.65 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2roe h LEU 51 CO 0.03 0.39 0.34 1.62 0.09 0.00 0.00 178.44 180.91 2roe h VAL 52 N -0.92 0.93 -0.23 1.22 3.04 -1.26 -2.60 116.25 116.42 2roe h VAL 52 Ca -0.02 -0.21 0.06 0.00 -1.01 0.00 0.00 66.70 65.51 2roe h VAL 52 Cb 0.49 0.26 -0.06 0.00 -2.01 0.00 0.00 31.29 29.97 2roe h VAL 52 CO 0.04 0.11 -0.15 -0.61 -1.01 0.00 0.00 177.57 175.94 2roe h GLN 53 N 0.62 -0.14 -0.66 4.17 -0.00 -1.54 -1.86 115.11 115.71 2roe h GLN 53 Ca 0.30 0.01 0.05 0.00 -0.00 0.00 0.00 58.65 59.01 2roe h GLN 53 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.70 2roe h GLN 53 CO -0.20 -0.09 0.43 0.00 0.00 0.00 0.00 178.83 178.97 2roe h ALA 54 N 1.01 1.71 -0.30 3.38 0.00 -1.08 -1.33 119.26 122.65 2roe h ALA 54 Ca 0.13 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2roe h ALA 54 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2roe h ALA 54 CO -0.32 0.20 -0.46 0.28 0.00 0.00 0.00 179.25 178.95 2roe h VAL 55 N 0.71 1.28 -0.33 0.00 2.07 -1.24 -3.08 116.25 115.66 2roe h VAL 55 Ca 0.27 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 2roe h VAL 55 Cb 0.19 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2roe h VAL 55 CO -0.08 0.54 0.13 -0.33 0.02 0.00 0.00 177.57 177.85 2roe h GLU 56 N 0.62 0.46 0.00 1.57 4.39 -0.63 -2.15 114.58 118.84 2roe h GLU 56 Ca 0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2roe h GLU 56 Cb 1.07 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2roe h GLU 56 CO 0.11 0.38 -0.10 0.93 -1.16 0.00 0.00 179.01 179.17 2roe h GLU 57 N 0.46 0.00 -0.10 2.33 4.39 -1.19 -1.33 114.58 119.14 2roe h GLU 57 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2roe h GLU 57 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2roe h GLU 57 CO -0.01 0.10 0.00 0.39 -1.16 0.00 0.00 179.01 178.33 2roe n GLU 58 N -3.47 1.49 -0.64 2.33 -0.58 -0.81 -4.91 120.64 114.06 2roe n GLU 58 Ca -0.01 -0.73 0.00 0.00 -0.42 0.00 0.00 57.16 55.99 2roe n GLU 58 Cb 0.25 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 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 1.03 0.76 3.99 0.62 0.00 -0.50 -5.07 105.19 106.02 2roe n GLY 59 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.70 1.65 -0.10 1.61 1.51 -1.21 -5.04 117.35 113.08 2roe s TYR 60 Ca 0.00 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2roe s TYR 60 Cb 0.00 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 2roe s TYR 60 CO 0.00 -1.67 -0.14 0.21 -1.11 0.00 0.00 175.55 172.84 2roe s LYS 61 N -5.13 3.09 0.24 -0.62 2.20 -1.10 -4.16 119.74 114.27 2roe s LYS 61 Ca 0.66 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 2roe s LYS 61 Cb -0.06 -2.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.67 2roe s LYS 61 CO 0.44 0.35 0.05 0.00 -0.36 0.00 0.00 175.35 175.83 2roe s ALA 62 N -0.01 1.73 -0.12 3.13 0.00 -1.26 -0.37 121.76 124.85 2roe s ALA 62 Ca -0.04 -1.81 -0.28 0.00 0.00 0.00 0.00 51.96 49.84 2roe s ALA 62 Cb -0.14 0.78 0.07 0.00 0.00 0.00 0.00 23.12 23.83 2roe s ALA 62 CO 0.04 -0.37 0.68 -2.00 0.00 0.00 0.00 175.76 174.11 2roe s GLU 63 N -3.96 0.96 0.12 0.00 2.12 0.00 -4.98 118.70 112.96 2roe s GLU 63 Ca 0.33 0.49 -0.19 0.00 0.36 0.00 0.00 54.97 55.96 2roe s GLU 63 Cb 0.07 0.46 -0.07 0.00 0.26 0.00 0.00 34.13 34.85 2roe s GLU 63 CO 0.11 -0.25 0.60 0.08 -0.54 0.00 0.00 175.26 175.26 2roe s VAL 64 N -0.66 4.71 -0.42 3.70 1.01 -1.26 -0.31 120.40 127.17 2roe s VAL 64 Ca -0.07 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.14 2roe s VAL 64 Cb -0.02 -3.88 0.51 0.00 0.00 0.00 0.00 36.38 32.99 2roe s VAL 64 CO 0.07 0.44 1.63 0.18 0.00 0.00 0.00 175.10 177.41 2roe n LEU 65 N 1.38 5.68 0.00 3.92 4.77 -0.34 -4.90 117.00 127.50 2roe n LEU 65 Ca -0.08 -4.12 0.00 0.00 -0.03 0.00 0.00 56.01 51.78 2roe n LEU 65 Cb 0.51 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2roe n LEU 65 CO 0.42 1.48 0.00 0.00 -1.33 0.00 0.00 177.39 177.96