#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 3.73 -0.11 3.17 1.43 -0.66 -4.86 118.68 121.38 2roe s LEU 2 Ca 0.00 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.24 2roe s LEU 2 Cb 0.00 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.63 2roe s LEU 2 CO 0.00 -1.19 -0.17 -0.54 0.23 0.00 0.00 176.35 174.68 2roe s LYS 3 N -3.36 3.16 0.02 1.70 1.02 -1.26 -2.12 119.74 118.90 2roe s LYS 3 Ca 0.71 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.98 2roe s LYS 3 Cb -0.22 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 2roe s LYS 3 CO 0.27 0.25 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.34 2roe s LEU 4 N 0.22 2.13 -0.27 3.17 1.43 -1.25 -1.64 118.68 122.48 2roe s LEU 4 Ca -0.11 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 2roe s LEU 4 Cb -0.16 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.62 2roe s LEU 4 CO 0.06 0.01 0.02 -0.75 0.23 0.00 0.00 176.35 175.92 2roe s LYS 5 N -0.86 3.06 -0.03 1.70 2.20 0.43 -2.31 119.74 123.92 2roe s LYS 5 Ca -0.00 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 2roe s LYS 5 Cb -0.06 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 2roe s LYS 5 CO 0.00 -0.39 -0.03 0.08 -0.36 0.00 0.00 175.35 174.66 2roe s VAL 6 N 1.44 3.98 -0.12 4.02 1.01 -0.37 -1.15 120.40 129.22 2roe s VAL 6 Ca 0.02 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 2roe s VAL 6 Cb -0.17 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.54 2roe s VAL 6 CO -0.00 0.47 0.02 -1.61 0.00 0.00 0.00 175.10 173.98 2roe s GLU 7 N -1.23 0.58 0.00 2.72 0.41 0.46 -4.60 118.70 117.05 2roe s GLU 7 Ca 0.16 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 2roe s GLU 7 Cb -0.11 -1.41 0.00 0.00 -1.78 0.00 0.00 34.13 30.82 2roe s GLU 7 CO 0.06 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 174.80 2roe n GLY 8 N 5.12 1.39 3.59 -1.39 0.00 -1.26 -2.62 105.19 110.03 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 3.38 -0.08 1.61 -1.94 -1.26 -4.82 119.30 116.19 2roe s MET 9 Ca 0.00 0.90 0.12 0.00 -1.71 0.00 0.00 55.69 55.00 2roe s MET 9 Cb 0.00 -4.12 0.19 0.00 2.01 0.00 0.00 34.83 32.91 2roe s MET 9 CO 0.00 -1.81 1.09 -2.37 -0.01 0.00 0.00 175.02 171.91 2roe n THR 10 N 7.11 1.51 -3.70 2.05 5.66 -1.26 -4.91 114.28 120.75 2roe n THR 10 Ca 0.17 -1.76 -0.13 0.00 -3.05 0.00 0.00 64.05 59.28 2roe n THR 10 Cb 0.48 0.03 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 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 3.37 0.11 -0.94 0.00 -1.07 -1.97 -1.91 115.58 113.17 2roe h ASN 12 Ca -0.30 -0.01 0.03 0.00 0.07 0.00 0.00 56.30 56.09 2roe h ASN 12 Cb 1.19 -0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 37.36 2roe h ASN 12 CO 0.42 0.13 0.62 -0.74 0.07 0.00 0.00 177.43 177.93 2roe h HIS 13 N 0.12 1.16 0.30 4.14 2.76 -1.99 -1.02 115.15 120.62 2roe h HIS 13 Ca 0.03 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2roe h HIS 13 Cb 0.08 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.65 2roe h HIS 13 CO 0.00 0.69 -0.15 0.00 -1.30 0.00 0.00 177.93 177.17 2roe h VAL 15 N -0.59 0.71 -0.71 0.00 2.07 -1.35 -1.16 116.25 115.23 2roe h VAL 15 Ca -0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2roe h VAL 15 Cb 0.43 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2roe h VAL 15 CO 0.07 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.92 2roe h MET 16 N -0.05 1.08 -0.11 1.57 -0.00 -1.22 0.20 114.93 116.40 2roe h MET 16 Ca 0.11 -0.21 0.00 0.00 -0.00 0.00 0.00 59.70 59.61 2roe h MET 16 Cb 0.22 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 2roe h MET 16 CO -0.25 0.90 0.07 0.00 -0.00 0.00 0.00 176.91 177.63 2roe h ALA 17 N 1.12 0.14 -0.73 -3.00 0.00 -1.01 -2.19 119.26 113.59 2roe h ALA 17 Ca 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2roe h ALA 17 Cb 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2roe h ALA 17 CO -0.02 -0.38 0.27 0.28 0.00 0.00 0.00 179.25 179.41 2roe h VAL 18 N 0.14 1.25 0.47 0.00 2.07 -1.01 -0.41 116.25 118.77 2roe h VAL 18 Ca 0.04 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2roe h VAL 18 Cb -0.01 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2roe h VAL 18 CO -0.01 0.33 -0.46 0.74 0.02 0.00 0.00 177.57 178.18 2roe h THR 19 N 1.07 0.09 -0.82 2.57 2.02 -0.22 -0.51 112.91 117.11 2roe h THR 19 Ca 0.24 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 2roe h THR 19 Cb 0.23 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 2roe h THR 19 CO -0.02 0.00 0.45 0.11 0.37 0.00 0.00 175.52 176.44 2roe h LYS 20 N -0.94 1.14 -0.76 6.66 1.57 -1.26 -2.57 116.57 120.41 2roe h LYS 20 Ca -0.05 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2roe h LYS 20 Cb 0.82 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 2roe h LYS 20 CO -0.06 0.83 0.43 0.00 -0.57 0.00 0.00 179.45 180.08 2roe h ALA 21 N 1.24 1.05 -0.27 3.86 0.00 -0.61 -1.49 119.26 123.02 2roe h ALA 21 Ca 0.29 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 2roe h ALA 21 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2roe h ALA 21 CO -0.05 0.08 -0.35 -0.07 0.00 0.00 0.00 179.25 178.87 2roe h LEU 22 N 0.75 0.63 -0.67 0.00 3.38 -0.80 -2.71 115.31 115.89 2roe h LEU 22 Ca 0.35 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2roe h LEU 22 Cb 0.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2roe h LEU 22 CO -0.22 0.92 0.00 0.29 0.09 0.00 0.00 178.44 179.53 2roe n LYS 23 N -4.06 0.11 0.00 1.13 5.02 -0.59 -2.07 118.16 117.71 2roe n LYS 23 Ca -0.01 0.46 0.11 0.00 -2.02 0.00 0.00 58.31 56.85 2roe n LYS 23 Cb 0.49 -1.77 0.53 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.00 0.15 -2.68 1.97 5.02 -1.02 -4.75 118.16 114.86 2roe n LYS 24 Ca 0.01 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 2roe n LYS 24 Cb 0.13 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.80 4.38 -0.24 -0.18 1.01 -0.88 -4.98 120.40 116.71 2roe s VAL 25 Ca 0.16 1.97 -0.29 0.00 0.00 0.00 0.00 61.98 63.83 2roe s VAL 25 Cb 0.15 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2roe s VAL 25 CO 0.38 0.30 1.78 -2.16 0.00 0.00 0.00 175.10 175.41 2roe s PRO 26 N -0.02 3.58 0.00 2.72 0.04 -1.26 -2.06 135.00 138.00 2roe s PRO 26 Ca 0.48 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2roe s PRO 26 Cb -0.25 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2roe s PRO 26 CO 0.31 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.19 2roe n GLY 27 N 5.06 1.15 3.80 0.56 0.00 -1.26 -4.56 105.19 109.94 2roe n GLY 27 Ca 0.22 0.00 -0.39 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 4.61 0.08 1.61 1.01 -0.87 -1.11 120.40 123.72 2roe s VAL 28 Ca 0.00 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 2roe s VAL 28 Cb 0.00 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2roe s VAL 28 CO 0.00 0.54 -0.02 -0.62 0.00 0.00 0.00 175.10 175.00 2roe n GLU 29 N 1.67 0.03 -4.16 2.72 -0.58 -1.26 -4.93 120.64 114.14 2roe n GLU 29 Ca -0.09 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.56 2roe n GLU 29 Cb 0.50 -0.56 -0.10 0.00 -0.57 0.00 0.00 31.44 30.71 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 -2.06 0.81 0.14 3.49 2.47 -1.26 -4.95 119.74 118.38 2roe s LYS 30 Ca -0.02 -1.28 -0.10 0.00 -1.56 0.00 0.00 55.97 53.01 2roe s LYS 30 Cb 0.00 -0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.15 2roe s LYS 30 CO 0.03 -0.01 0.28 0.14 0.16 0.00 0.00 175.35 175.95 2roe s VAL 31 N -3.39 0.09 -0.22 4.02 -7.23 -1.26 -0.92 120.40 111.49 2roe s VAL 31 Ca 0.10 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 2roe s VAL 31 Cb 0.04 -1.57 0.10 0.00 0.56 0.00 0.00 36.38 35.51 2roe s VAL 31 CO -0.04 -0.41 0.21 -1.61 -0.31 0.00 0.00 175.10 172.94 2roe s GLU 32 N -3.90 0.20 -0.19 4.82 0.41 -0.51 -4.98 118.70 114.54 2roe s GLU 32 Ca 0.11 0.07 -0.02 0.00 -0.41 0.00 0.00 54.97 54.71 2roe s GLU 32 Cb 0.03 -1.19 -0.00 0.00 -1.78 0.00 0.00 34.13 31.18 2roe s GLU 32 CO -0.05 -0.74 -0.10 0.08 -0.49 0.00 0.00 175.26 173.96 2roe s VAL 33 N 2.29 3.00 0.70 2.63 1.01 -1.26 -1.07 120.40 127.71 2roe s VAL 33 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 2roe s VAL 33 Cb -0.16 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.06 2roe s VAL 33 CO -0.17 0.47 0.96 -0.24 0.00 0.00 0.00 175.10 176.12 2roe n SER 34 N 4.42 0.46 0.00 3.32 2.88 -0.86 -5.01 113.62 118.83 2roe n SER 34 Ca -0.19 -1.58 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 2roe n SER 34 Cb 0.51 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2roe n SER 34 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2roe n LEU 35 N 0.00 0.00 -0.02 2.46 7.94 -1.26 -4.71 117.00 121.41 2roe n LEU 35 Ca 0.13 -0.11 -0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2roe n LEU 35 Cb 0.46 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.37 2roe n LEU 35 CO 0.33 0.00 -0.65 -1.84 -1.11 0.00 0.00 177.39 174.12 2roe n GLU 36 N -0.46 2.34 0.05 1.96 0.28 -1.26 -4.66 120.64 118.89 2roe n GLU 36 Ca 0.00 -0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.10 2roe n GLU 36 Cb 0.00 -1.14 0.12 0.00 1.43 0.00 0.00 31.44 31.85 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 -4.36 3.44 1.57 -1.99 -3.48 116.57 111.75 2roe h LYS 37 Ca -0.11 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.28 2roe h LYS 37 Cb 1.05 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.42 2roe h LYS 37 CO 0.01 0.00 -0.59 0.41 -0.57 0.00 0.00 179.45 178.71 2roe n GLY 38 N 1.34 -0.47 3.38 3.86 0.00 -1.26 -4.96 105.19 107.08 2roe n GLY 38 Ca 0.03 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.68 1.41 -0.43 1.61 2.02 -1.26 -1.24 118.70 115.13 2roe s GLU 39 Ca 0.30 -1.47 0.05 0.00 0.02 0.00 0.00 54.97 53.87 2roe s GLU 39 Cb -0.13 -1.64 0.18 0.00 0.10 0.00 0.00 34.13 32.64 2roe s GLU 39 CO 0.38 0.35 0.42 0.00 0.02 0.00 0.00 175.26 176.43 2roe n ALA 40 N 0.31 1.94 -1.76 5.21 0.00 -0.98 -2.03 120.51 123.20 2roe n ALA 40 Ca -0.13 -2.72 -0.38 0.00 0.00 0.00 0.00 53.44 50.21 2roe n ALA 40 Cb 0.56 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.12 2roe n ALA 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2roe s LEU 41 N 0.14 4.00 -0.08 0.00 2.01 -0.23 -3.88 118.68 120.63 2roe s LEU 41 Ca 0.33 2.48 0.02 0.00 0.01 0.00 0.00 54.13 56.96 2roe s LEU 41 Cb 0.04 -4.20 0.02 0.00 0.01 0.00 0.00 46.19 42.06 2roe s LEU 41 CO -0.17 -1.09 -0.12 -0.69 1.01 0.00 0.00 176.35 175.30 2roe s VAL 42 N -1.44 1.17 -0.14 -1.59 1.01 -0.90 -1.43 120.40 117.08 2roe s VAL 42 Ca 0.65 -0.47 0.20 0.00 0.00 0.00 0.00 61.98 62.36 2roe s VAL 42 Cb -0.33 -1.09 -0.16 0.00 0.00 0.00 0.00 36.38 34.80 2roe s VAL 42 CO 0.40 0.37 0.72 1.21 0.00 0.00 0.00 175.10 177.81 2roe n GLU 43 N 4.10 0.63 -1.04 2.72 2.13 -0.09 -1.65 120.64 127.43 2roe n GLU 43 Ca -0.20 0.07 -0.30 0.00 0.66 0.00 0.00 57.16 57.39 2roe n GLU 43 Cb 0.51 -1.71 0.23 0.00 0.27 0.00 0.00 31.44 30.74 2roe n GLU 43 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2roe s GLY 44 N -4.68 1.57 -0.01 8.31 0.00 -1.24 -4.84 107.32 106.43 2roe s GLY 44 Ca -0.04 -0.83 0.18 0.00 0.00 0.00 0.00 44.72 44.02 2roe s GLY 44 CO 0.83 0.01 1.43 -1.30 0.00 0.00 0.00 173.10 174.07 2roe n THR 45 N -4.73 0.83 -0.68 0.90 -2.24 -0.27 -4.75 114.28 103.34 2roe n THR 45 Ca 0.12 -0.79 -0.31 0.00 -2.27 0.00 0.00 64.05 60.80 2roe n THR 45 Cb 0.59 0.36 0.17 0.00 -2.10 0.00 0.00 70.33 69.35 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roe n ALA 46 N 1.17 -1.36 -2.24 6.98 0.00 -1.11 -4.96 120.51 119.00 2roe n ALA 46 Ca 0.19 -0.62 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 2roe n ALA 46 Cb 0.51 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 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 -2.49 6.74 0.34 0.00 1.11 -1.26 -5.00 116.67 116.11 2roe s ASP 47 Ca 0.65 1.16 0.06 0.00 0.18 0.00 0.00 52.55 54.60 2roe s ASP 47 Cb -0.23 -2.32 0.61 0.00 1.07 0.00 0.00 42.92 42.05 2roe s ASP 47 CO 0.60 -0.13 1.83 1.55 1.18 0.00 0.00 175.17 180.20 2roe h PRO 48 N 2.49 0.36 -0.18 8.23 0.13 -1.99 -2.00 132.00 139.03 2roe h PRO 48 Ca -0.48 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2roe h PRO 48 Cb 1.17 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2roe h PRO 48 CO 0.67 0.53 0.10 0.87 -0.23 0.00 0.00 178.00 179.93 2roe h LYS 49 N 0.33 0.26 0.00 0.86 6.56 -2.00 -0.34 116.57 122.25 2roe h LYS 49 Ca 0.06 -0.03 -0.08 0.00 -1.06 0.00 0.00 60.65 59.54 2roe h LYS 49 Cb 0.50 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 2roe h LYS 49 CO 0.03 0.25 -0.39 0.00 -2.06 0.00 0.00 179.45 177.28 2roe h ALA 50 N 0.99 1.36 0.38 3.86 0.00 -1.92 -2.59 119.26 121.34 2roe h ALA 50 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2roe h ALA 50 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2roe h ALA 50 CO -0.01 0.48 -0.18 -0.07 0.00 0.00 0.00 179.25 179.47 2roe h LEU 51 N 0.00 -0.43 -1.01 0.00 3.38 -0.89 -3.13 115.31 113.23 2roe h LEU 51 Ca -0.00 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.09 2roe h LEU 51 Cb 0.69 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 2roe h LEU 51 CO 0.05 0.01 0.62 1.62 0.09 0.00 0.00 178.44 180.84 2roe h VAL 52 N -1.10 0.79 -0.25 1.22 3.04 -1.11 -1.68 116.25 117.16 2roe h VAL 52 Ca -0.05 -0.29 0.06 0.00 -1.01 0.00 0.00 66.70 65.40 2roe h VAL 52 Cb 0.45 -0.14 -0.06 0.00 -2.01 0.00 0.00 31.29 29.53 2roe h VAL 52 CO 0.09 0.16 -0.14 -0.61 -1.01 0.00 0.00 177.57 176.05 2roe h GLN 53 N 0.85 -0.12 -0.03 4.17 4.15 -1.54 -0.59 115.11 122.00 2roe h GLN 53 Ca 0.55 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.99 2roe h GLN 53 Cb 0.75 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.46 2roe h GLN 53 CO -0.34 -0.08 0.03 0.00 -1.93 0.00 0.00 178.83 176.52 2roe h ALA 54 N 1.06 1.66 0.14 3.38 0.00 -1.24 -0.48 119.26 123.79 2roe h ALA 54 Ca 0.14 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 2roe h ALA 54 Cb 0.33 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2roe h ALA 54 CO -0.33 -0.05 -1.30 0.28 0.00 0.00 0.00 179.25 177.86 2roe h VAL 55 N 0.00 1.17 -0.26 0.00 2.07 -1.15 -3.31 116.25 114.78 2roe h VAL 55 Ca 0.02 -2.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.05 2roe h VAL 55 Cb 0.08 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2roe h VAL 55 CO -0.00 0.74 0.14 -0.33 0.02 0.00 0.00 177.57 178.13 2roe h GLU 56 N -0.23 0.35 0.00 1.57 4.39 -0.62 -1.56 114.58 118.48 2roe h GLU 56 Ca -0.26 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 2roe h GLU 56 Cb 1.81 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.38 2roe h GLU 56 CO 0.12 0.27 -0.22 0.93 -1.16 0.00 0.00 179.01 178.94 2roe h GLU 57 N 0.36 0.00 0.00 2.33 4.39 -1.20 -1.23 114.58 119.23 2roe h GLU 57 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2roe h GLU 57 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2roe h GLU 57 CO -0.02 0.22 0.00 0.39 -1.16 0.00 0.00 179.01 178.45 2roe n GLU 58 N -4.15 0.91 -0.61 2.33 -0.58 -0.59 -4.89 120.64 113.06 2roe n GLU 58 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2roe n GLU 58 Cb 0.29 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 0.99 0.68 3.49 0.62 0.00 -0.46 -5.08 105.19 105.44 2roe n GLY 59 Ca 0.22 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 2roe n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2roe n TYR 60 N -2.61 -1.85 -4.96 1.61 4.02 -1.22 -5.04 117.16 107.11 2roe n TYR 60 Ca 0.00 -1.96 -0.32 0.00 -0.01 0.00 0.00 57.90 55.60 2roe n TYR 60 Cb 0.00 -0.47 -0.15 0.00 -0.02 0.00 0.00 39.34 38.70 2roe n TYR 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2roe s LYS 61 N -4.27 3.17 0.05 -0.72 2.20 -1.08 -4.18 119.74 114.92 2roe s LYS 61 Ca 0.47 -0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 55.29 2roe s LYS 61 Cb -0.04 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 2roe s LYS 61 CO 0.30 0.24 0.01 0.00 -0.36 0.00 0.00 175.35 175.53 2roe s ALA 62 N 0.25 0.35 -0.14 3.13 0.00 -1.26 -0.40 121.76 123.68 2roe s ALA 62 Ca -0.12 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.58 2roe s ALA 62 Cb -0.16 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.30 2roe s ALA 62 CO 0.06 -0.37 0.54 -1.83 0.00 0.00 0.00 175.76 174.16 2roe s GLU 63 N -3.68 0.75 0.63 0.00 -1.05 -0.30 -4.99 118.70 110.06 2roe s GLU 63 Ca 0.05 0.49 -0.12 0.00 -0.15 0.00 0.00 54.97 55.23 2roe s GLU 63 Cb 0.06 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 2roe s GLU 63 CO -0.09 -0.15 1.04 0.54 0.95 0.00 0.00 175.26 177.54 2roe s VAL 64 N -0.33 4.40 -0.14 1.83 0.11 -1.26 -0.43 120.40 124.58 2roe s VAL 64 Ca -0.05 0.86 0.18 0.00 -2.93 0.00 0.00 61.98 60.04 2roe s VAL 64 Cb -0.03 -3.66 0.32 0.00 -1.53 0.00 0.00 36.38 31.48 2roe s VAL 64 CO 0.04 -0.95 1.18 0.18 -3.33 0.00 0.00 175.10 172.22 2roe n LEU 65 N -2.65 2.52 -0.18 2.54 4.77 -0.65 -4.83 117.00 118.52 2roe n LEU 65 Ca 0.07 -3.18 0.15 0.00 -0.03 0.00 0.00 56.01 53.02 2roe n LEU 65 Cb 0.54 -0.45 0.79 0.00 -2.33 0.00 0.00 43.42 41.96 2roe n LEU 65 CO 0.55 0.79 1.02 0.00 -1.33 0.00 0.00 177.39 178.41