#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afi s THR 2 N 0.00 -0.57 0.30 0.00 -4.23 -1.25 -1.77 115.64 108.12 1afi s THR 2 Ca 0.00 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 59.94 1afi s THR 2 Cb 0.00 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 1afi s THR 2 CO 0.00 -0.38 0.06 -1.58 -0.54 0.00 0.00 174.62 172.19 1afi s GLN 3 N 1.54 2.33 -0.03 3.99 0.74 -0.48 -4.87 119.66 122.88 1afi s GLN 3 Ca 0.17 -1.48 0.01 0.00 0.05 0.00 0.00 55.36 54.11 1afi s GLN 3 Cb -0.11 -2.16 0.02 0.00 1.10 0.00 0.00 33.01 31.85 1afi s GLN 3 CO -0.04 0.25 -0.04 0.99 -0.55 0.00 0.00 175.29 175.89 1afi s THR 4 N -2.37 0.45 0.20 -0.34 2.01 -1.26 -1.03 115.64 113.29 1afi s THR 4 Ca 0.34 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.21 1afi s THR 4 Cb -0.04 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1afi s THR 4 CO 0.21 0.18 0.11 -0.69 -0.69 0.00 0.00 174.62 173.75 1afi s VAL 5 N 0.61 0.10 0.20 3.82 1.01 -0.72 -4.98 120.40 120.43 1afi s VAL 5 Ca -0.07 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 59.98 1afi s VAL 5 Cb -0.11 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1afi s VAL 5 CO -0.00 -0.06 0.11 0.42 0.00 0.00 0.00 175.10 175.56 1afi s THR 6 N -4.08 4.22 0.14 3.92 -4.23 -1.26 -1.49 115.64 112.85 1afi s THR 6 Ca 0.37 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 1afi s THR 6 Cb 0.07 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1afi s THR 6 CO 0.11 -0.19 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.12 1afi s LEU 7 N -3.30 2.47 -0.32 4.79 1.02 0.25 -1.48 118.68 122.12 1afi s LEU 7 Ca 0.31 -0.91 -0.06 0.00 0.02 0.00 0.00 54.13 53.48 1afi s LEU 7 Cb -0.09 -0.44 0.03 0.00 0.02 0.00 0.00 46.19 45.71 1afi s LEU 7 CO 0.22 -0.24 0.08 0.00 0.02 0.00 0.00 176.35 176.44 1afi s ALA 8 N -2.75 3.02 -0.40 4.21 0.00 -0.79 -0.94 121.76 124.11 1afi s ALA 8 Ca 0.13 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1afi s ALA 8 Cb -0.01 -2.20 0.11 0.00 0.00 0.00 0.00 23.12 21.02 1afi s ALA 8 CO 0.02 -1.21 0.14 0.54 0.00 0.00 0.00 175.76 175.24 1afi s VAL 9 N 1.41 2.64 -0.01 0.00 0.11 -0.23 -1.34 120.40 122.98 1afi s VAL 9 Ca -0.01 -2.45 -0.06 0.00 -2.93 0.00 0.00 61.98 56.54 1afi s VAL 9 Cb -0.19 -2.88 -0.26 0.00 -1.53 0.00 0.00 36.38 31.52 1afi s VAL 9 CO 0.02 -0.66 3.60 -0.81 -3.33 0.00 0.00 175.10 173.92 1afi n PRO 10 N 4.14 2.00 -0.00 1.54 -0.04 -1.26 -4.32 135.00 137.05 1afi n PRO 10 Ca 0.03 -1.01 -0.21 0.00 -0.04 0.00 0.00 63.50 62.27 1afi n PRO 10 Cb 0.40 -1.99 -0.14 0.00 -0.04 0.00 0.00 33.50 31.73 1afi n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1afi n GLY 11 N 2.47 -0.56 4.27 0.55 0.00 -1.26 -4.88 105.19 105.78 1afi n GLY 11 Ca 0.43 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1afi n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1afi n MET 12 N -3.45 -0.79 0.00 1.61 0.00 -1.26 -4.70 117.12 108.52 1afi n MET 12 Ca -0.32 0.12 0.07 0.00 0.00 0.00 0.00 57.70 57.56 1afi n MET 12 Cb 1.04 -4.05 0.39 0.00 0.00 0.00 0.00 33.22 30.60 1afi n MET 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1afi n THR 13 N -3.93 0.00 -1.56 3.17 -2.24 -1.26 -4.89 114.28 103.57 1afi n THR 13 Ca -0.01 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1afi n THR 13 Cb 0.48 -0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1afi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1afi n ALA 15 N 0.07 -0.41 0.00 0.00 0.00 -1.26 -4.71 120.51 114.20 1afi n ALA 15 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1afi n ALA 15 Cb 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1afi n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afi n ALA 16 N -0.31 2.86 -0.35 0.00 0.00 -1.26 -4.69 120.51 116.76 1afi n ALA 16 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1afi n ALA 16 Cb 0.55 0.41 -0.08 0.00 0.00 0.00 0.00 19.45 20.32 1afi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afi h PRO 18 N 0.00 0.00 0.08 0.00 0.13 -1.94 -1.16 132.00 129.11 1afi h PRO 18 Ca 0.13 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.92 1afi h PRO 18 Cb 0.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 1afi h PRO 18 CO -0.78 0.00 -1.91 -0.89 -0.23 0.00 0.00 178.00 174.19 1afi n ILE 19 N -3.17 1.72 0.07 -3.56 5.41 0.18 -2.65 119.36 117.36 1afi n ILE 19 Ca -0.03 -0.70 -0.21 0.00 1.00 0.00 0.00 62.75 62.81 1afi n ILE 19 Cb 0.10 -1.49 -0.12 0.00 -0.71 0.00 0.00 39.64 37.42 1afi n ILE 19 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1afi h THR 20 N 0.05 1.31 -0.12 1.39 2.02 -1.18 -2.84 112.91 113.54 1afi h THR 20 Ca -0.38 -2.36 -0.02 0.00 0.77 0.00 0.00 66.41 64.42 1afi h THR 20 Cb 2.03 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 71.06 1afi h THR 20 CO 0.08 0.72 -0.00 0.58 0.37 0.00 0.00 175.52 177.27 1afi h VAL 21 N 0.24 1.25 -0.76 3.16 2.07 -1.38 -1.42 116.25 119.41 1afi h VAL 21 Ca -0.16 -0.81 0.13 0.00 0.82 0.00 0.00 66.70 66.68 1afi h VAL 21 Cb 1.78 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 33.03 1afi h VAL 21 CO 0.21 0.23 0.33 0.50 0.02 0.00 0.00 177.57 178.87 1afi h LYS 22 N -0.06 0.50 0.00 1.57 3.64 -1.57 0.18 116.57 120.82 1afi h LYS 22 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1afi h LYS 22 Cb 0.36 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1afi h LYS 22 CO 0.01 0.33 -0.06 0.87 -2.27 0.00 0.00 179.45 178.32 1afi h LYS 23 N 0.51 0.00 0.19 1.90 1.79 -1.28 -2.66 116.57 117.02 1afi h LYS 23 Ca 0.40 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.86 1afi h LYS 23 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1afi h LYS 23 CO -0.36 0.06 -0.09 0.00 -1.08 0.00 0.00 179.45 177.98 1afi h ALA 24 N 1.94 -0.28 -0.75 3.86 0.00 0.45 -1.81 119.26 122.67 1afi h ALA 24 Ca -0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1afi h ALA 24 Cb 0.69 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1afi h ALA 24 CO 0.01 -0.26 0.49 -0.07 0.00 0.00 0.00 179.25 179.42 1afi h LEU 25 N -0.97 0.65 -1.02 0.00 4.07 -1.45 0.21 115.31 116.80 1afi h LEU 25 Ca -0.03 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1afi h LEU 25 Cb 0.20 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1afi h LEU 25 CO 0.04 0.40 -0.40 -1.28 -1.08 0.00 0.00 178.44 176.13 1afi h SER 26 N 0.73 0.00 0.16 -0.43 0.87 -1.56 -2.49 113.55 110.83 1afi h SER 26 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1afi h SER 26 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1afi h SER 26 CO -0.12 0.40 -0.28 1.17 -0.53 0.00 0.00 176.83 177.46 1afi n LYS 27 N -3.66 1.00 0.00 2.24 0.00 0.42 -4.56 118.16 113.60 1afi n LYS 27 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 58.31 57.64 1afi n LYS 27 Cb 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.04 1afi n LYS 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1afi n VAL 28 N -0.42 0.00 0.00 3.15 0.31 0.45 -4.96 118.33 116.85 1afi n VAL 28 Ca 0.12 0.95 0.00 0.00 -0.01 0.00 0.00 64.34 65.40 1afi n VAL 28 Cb 0.38 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1afi n VAL 28 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1afi n GLU 29 N -0.80 0.00 0.26 5.55 -0.58 -1.26 -4.90 120.64 118.91 1afi n GLU 29 Ca 0.00 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.91 1afi n GLU 29 Cb 0.00 0.00 0.69 0.00 -0.57 0.00 0.00 31.44 31.56 1afi n GLU 29 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1afi h GLY 30 N 0.00 0.00 -4.69 0.62 0.00 -1.84 -3.44 103.07 93.73 1afi h GLY 30 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1afi h GLY 30 CO 0.00 0.00 0.23 1.55 0.00 0.00 0.00 176.54 178.32 1afi n VAL 31 N -2.96 1.51 0.00 4.60 3.14 -1.26 -1.22 118.33 122.14 1afi n VAL 31 Ca 0.01 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 1afi n VAL 31 Cb 0.28 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.06 1afi n VAL 31 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1afi n SER 32 N 1.59 1.47 -3.46 6.55 2.88 -0.68 -4.83 113.62 117.14 1afi n SER 32 Ca 0.12 -0.32 -0.11 0.00 -1.33 0.00 0.00 58.87 57.23 1afi n SER 32 Cb 0.29 0.93 -0.02 0.00 -0.75 0.00 0.00 64.21 64.66 1afi n SER 32 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1afi s LYS 33 N -1.22 1.17 0.31 -1.46 2.20 -1.06 -4.99 119.74 114.70 1afi s LYS 33 Ca 0.00 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 1afi s LYS 33 Cb 0.00 0.53 -0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1afi s LYS 33 CO 0.00 -0.52 0.31 0.54 -0.36 0.00 0.00 175.35 175.33 1afi s VAL 34 N -3.58 0.00 0.06 4.02 0.11 -1.26 -1.22 120.40 118.53 1afi s VAL 34 Ca 0.03 -1.88 -0.22 0.00 -2.93 0.00 0.00 61.98 56.97 1afi s VAL 34 Cb -0.01 -2.53 0.05 0.00 -1.53 0.00 0.00 36.38 32.36 1afi s VAL 34 CO -0.11 0.00 0.52 -0.62 -3.33 0.00 0.00 175.10 171.56 1afi s ASP 35 N -3.30 -0.44 -0.33 3.54 -1.08 0.37 -4.86 116.67 110.57 1afi s ASP 35 Ca 0.37 0.13 -0.07 0.00 -0.52 0.00 0.00 52.55 52.46 1afi s ASP 35 Cb 0.02 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 42.02 1afi s ASP 35 CO 0.23 -0.75 0.11 -0.69 0.52 0.00 0.00 175.17 174.58 1afi s VAL 36 N -2.67 3.89 -0.53 1.11 1.01 -1.26 -2.40 120.40 119.55 1afi s VAL 36 Ca -0.04 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1afi s VAL 36 Cb -0.00 -3.15 0.39 0.00 0.00 0.00 0.00 36.38 33.62 1afi s VAL 36 CO -0.03 -0.11 1.19 0.61 0.00 0.00 0.00 175.10 176.75 1afi n GLY 37 N 4.84 5.88 0.31 4.51 0.00 -0.47 -4.80 105.19 115.46 1afi n GLY 37 Ca -0.13 -2.74 0.20 0.00 0.00 0.00 0.00 46.02 43.35 1afi n GLY 37 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1afi h PHE 38 N 2.76 0.00 -0.80 1.61 3.57 -1.94 -1.82 116.94 120.32 1afi h PHE 38 Ca 0.30 0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.03 1afi h PHE 38 Cb 0.72 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1afi h PHE 38 CO 0.87 0.00 0.74 1.49 -2.23 0.00 0.00 178.31 179.18 1afi h GLU 39 N 0.00 0.00 -0.61 1.11 4.81 -1.88 -1.67 114.58 116.34 1afi h GLU 39 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1afi h GLU 39 Cb 0.12 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.10 1afi h GLU 39 CO 0.00 0.00 -1.14 1.63 -0.73 0.00 0.00 179.01 178.77 1afi n LYS 40 N -3.79 1.55 -4.04 1.92 4.76 -0.88 -5.00 118.16 112.68 1afi n LYS 40 Ca 0.17 -3.43 -0.46 0.00 -2.87 0.00 0.00 58.31 51.72 1afi n LYS 40 Cb 1.01 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.73 1afi n LYS 40 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1afi n ARG 41 N -0.43 -0.32 -3.77 1.97 1.74 -0.63 -4.84 116.66 110.38 1afi n ARG 41 Ca 0.08 0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 1afi n ARG 41 Cb 0.81 -2.66 -0.08 0.00 -1.02 0.00 0.00 32.46 29.50 1afi n ARG 41 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1afi s GLU 42 N -7.31 0.68 -0.06 5.56 -6.30 -0.74 -1.07 118.70 109.47 1afi s GLU 42 Ca 0.50 -0.26 0.05 0.00 -2.50 0.00 0.00 54.97 52.76 1afi s GLU 42 Cb -0.26 0.30 -0.01 0.00 0.00 0.00 0.00 34.13 34.16 1afi s GLU 42 CO 0.96 -0.19 -0.22 0.00 0.02 0.00 0.00 175.26 175.83 1afi s ALA 43 N -1.54 1.93 -0.04 6.30 0.00 -0.11 -1.37 121.76 126.92 1afi s ALA 43 Ca -0.12 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1afi s ALA 43 Cb -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1afi s ALA 43 CO 0.03 0.34 0.02 0.08 0.00 0.00 0.00 175.76 176.23 1afi s VAL 44 N 0.03 4.40 -0.05 0.00 1.01 -1.01 0.87 120.40 125.66 1afi s VAL 44 Ca -0.07 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1afi s VAL 44 Cb -0.14 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1afi s VAL 44 CO 0.04 0.48 0.25 0.54 0.00 0.00 0.00 175.10 176.42 1afi s VAL 45 N -1.02 0.03 0.16 2.92 0.11 -0.55 0.14 120.40 122.19 1afi s VAL 45 Ca 0.17 -0.29 0.07 0.00 -2.93 0.00 0.00 61.98 59.00 1afi s VAL 45 Cb -0.12 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1afi s VAL 45 CO 0.07 -0.16 0.01 -0.89 -3.33 0.00 0.00 175.10 170.81 1afi s THR 46 N -0.62 3.85 0.15 5.04 2.01 -0.36 -1.75 115.64 123.96 1afi s THR 46 Ca -0.07 -1.31 -0.19 0.00 0.31 0.00 0.00 61.69 60.44 1afi s THR 46 Cb -0.04 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.62 1afi s THR 46 CO 0.02 -0.06 0.89 2.22 -0.69 0.00 0.00 174.62 177.00 1afi n PHE 47 N -0.01 -1.20 -3.71 4.92 1.16 -0.20 -1.69 117.46 116.73 1afi n PHE 47 Ca -0.10 -1.07 -0.38 0.00 -1.87 0.00 0.00 57.45 54.04 1afi n PHE 47 Cb 0.54 0.52 -0.12 0.00 -1.61 0.00 0.00 39.48 38.81 1afi n PHE 47 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1afi s ASP 48 N -3.10 5.33 0.21 5.98 1.11 -0.36 -1.38 116.67 124.46 1afi s ASP 48 Ca 0.20 -0.75 0.13 0.00 0.18 0.00 0.00 52.55 52.30 1afi s ASP 48 Cb -0.02 -1.93 0.68 0.00 1.07 0.00 0.00 42.92 42.72 1afi s ASP 48 CO 0.04 -0.23 1.34 -0.67 1.18 0.00 0.00 175.17 176.84 1afi n ASP 49 N 4.91 0.33 0.17 0.27 -0.08 -0.73 -1.46 116.55 119.95 1afi n ASP 49 Ca -0.14 0.61 0.05 0.00 -1.51 0.00 0.00 54.79 53.81 1afi n ASP 49 Cb 0.48 -0.64 0.51 0.00 2.34 0.00 0.00 41.12 43.81 1afi n ASP 49 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1afi h THR 50 N 0.00 1.09 0.00 5.18 1.35 -1.92 -3.30 112.91 115.31 1afi h THR 50 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1afi h THR 50 Cb 0.15 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1afi h THR 50 CO 0.00 0.12 0.00 0.29 -0.25 0.00 0.00 175.52 175.68 1afi n LYS 51 N -4.41 0.60 -3.24 4.72 4.76 -0.65 -5.07 118.16 114.87 1afi n LYS 51 Ca -0.01 -0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.21 1afi n LYS 51 Cb 0.17 -0.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.82 1afi n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afi n ALA 52 N -0.12 0.18 0.00 7.82 0.00 -0.54 -4.13 120.51 123.73 1afi n ALA 52 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1afi n ALA 52 Cb 0.11 0.90 0.00 0.00 0.00 0.00 0.00 19.45 20.46 1afi n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afi n SER 53 N -2.05 0.00 -0.38 0.00 2.88 -1.26 -4.01 113.62 108.80 1afi n SER 53 Ca 0.03 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.53 1afi n SER 53 Cb 0.37 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1afi n SER 53 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1afi n VAL 54 N -0.38 -0.55 -0.29 2.46 0.31 -1.26 0.43 118.33 119.05 1afi n VAL 54 Ca 0.00 2.26 0.09 0.00 -0.01 0.00 0.00 64.34 66.68 1afi n VAL 54 Cb 0.00 -2.93 0.22 0.00 -0.91 0.00 0.00 33.84 30.23 1afi n VAL 54 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1afi h GLN 55 N 0.00 0.10 0.00 5.55 5.75 -1.98 0.40 115.11 124.93 1afi h GLN 55 Ca 0.28 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.65 1afi h GLN 55 Cb 0.52 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 1afi h GLN 55 CO -0.93 0.07 -0.57 -0.22 -2.65 0.00 0.00 178.83 174.52 1afi h LYS 56 N 0.10 0.00 0.49 1.69 1.63 -0.40 -0.82 116.57 119.26 1afi h LYS 56 Ca 0.49 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.27 1afi h LYS 56 Cb 0.94 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1afi h LYS 56 CO -0.74 0.57 -0.24 -0.07 -3.45 0.00 0.00 179.45 175.53 1afi h LEU 57 N 0.00 -0.56 -2.66 5.20 3.38 0.12 0.20 115.31 120.99 1afi h LEU 57 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1afi h LEU 57 Cb 1.12 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1afi h LEU 57 CO 0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 178.44 178.39 1afi h THR 58 N -1.05 0.29 0.00 0.22 1.03 -1.27 0.93 112.91 113.06 1afi h THR 58 Ca -0.07 -0.03 -0.17 0.00 -0.01 0.00 0.00 66.41 66.13 1afi h THR 58 Cb 0.51 1.02 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 1afi h THR 58 CO 0.11 0.00 -0.82 0.50 -0.01 0.00 0.00 175.52 175.31 1afi h LYS 59 N 0.00 0.00 -0.11 0.00 3.64 -0.93 0.42 116.57 119.59 1afi h LYS 59 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1afi h LYS 59 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1afi h LYS 59 CO 0.00 0.82 -0.28 0.00 -2.27 0.00 0.00 179.45 177.72 1afi h ALA 60 N 1.18 0.18 -0.08 5.00 0.00 0.19 0.11 119.26 125.84 1afi h ALA 60 Ca -0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1afi h ALA 60 Cb 1.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1afi h ALA 60 CO 0.11 0.19 -0.53 0.00 0.00 0.00 0.00 179.25 179.02 1afi h THR 61 N -0.05 1.36 -0.12 0.00 1.03 -1.46 0.45 112.91 114.11 1afi h THR 61 Ca -0.00 -1.81 -0.06 0.00 -0.01 0.00 0.00 66.41 64.53 1afi h THR 61 Cb 0.89 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 69.85 1afi h THR 61 CO 0.06 0.53 -0.20 0.00 -0.01 0.00 0.00 175.52 175.91 1afi h ALA 62 N 1.28 1.45 0.00 0.00 0.00 -0.76 -1.02 119.26 120.21 1afi h ALA 62 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1afi h ALA 62 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1afi h ALA 62 CO 0.08 0.39 -0.53 -3.47 0.00 0.00 0.00 179.25 175.72 1afi n ASP 63 N -4.22 0.55 0.14 0.00 2.03 0.36 -3.47 116.55 111.93 1afi n ASP 63 Ca -0.01 -0.04 0.01 0.00 0.52 0.00 0.00 54.79 55.27 1afi n ASP 63 Cb 0.31 0.17 0.09 0.00 -0.72 0.00 0.00 41.12 40.97 1afi n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afi h ALA 64 N 2.78 0.71 0.00 -1.67 0.00 0.37 -3.46 119.26 118.00 1afi h ALA 64 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1afi h ALA 64 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1afi h ALA 64 CO 0.00 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1afi n GLY 65 N 0.94 0.38 2.72 0.00 0.00 -0.95 -4.96 105.19 103.32 1afi n GLY 65 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1afi n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1afi s TYR 66 N -0.39 -0.07 -0.58 1.61 2.02 -0.85 -4.89 117.35 114.20 1afi s TYR 66 Ca 0.00 0.16 -0.26 0.00 -0.37 0.00 0.00 57.07 56.60 1afi s TYR 66 Cb 0.00 -0.45 -0.09 0.00 -0.40 0.00 0.00 41.96 41.02 1afi s TYR 66 CO 0.00 -0.44 2.41 -1.25 -1.57 0.00 0.00 175.55 174.70 1afi s PRO 67 N 2.24 1.95 0.15 -1.71 0.04 -1.26 -3.22 135.00 133.18 1afi s PRO 67 Ca 0.04 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.24 1afi s PRO 67 Cb -0.14 -4.64 0.02 0.00 0.04 0.00 0.00 34.50 29.77 1afi s PRO 67 CO -0.08 -3.63 0.12 0.45 0.04 0.00 0.00 177.00 173.90 1afi n SER 68 N 16.74 1.32 0.00 6.66 2.88 -1.25 -4.25 113.62 135.72 1afi n SER 68 Ca 0.40 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 1afi n SER 68 Cb 0.52 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1afi n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1afi n SER 69 N -2.10 0.00 -4.08 -3.46 7.64 -0.45 -4.90 113.62 106.27 1afi n SER 69 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.81 1afi n SER 69 Cb 0.16 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 1afi n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1afi s VAL 70 N -1.66 0.25 -0.14 0.44 0.11 -1.26 -1.89 120.40 116.23 1afi s VAL 70 Ca 0.00 -1.69 0.16 0.00 -2.93 0.00 0.00 61.98 57.52 1afi s VAL 70 Cb 0.00 -1.35 0.32 0.00 -1.53 0.00 0.00 36.38 33.82 1afi s VAL 70 CO 0.00 -0.92 1.16 0.29 -3.33 0.00 0.00 175.10 172.31 1afi n LYS 71 N 0.32 1.28 0.00 1.54 5.02 -0.55 -4.85 118.16 120.91 1afi n LYS 71 Ca -0.15 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 1afi n LYS 71 Cb 0.60 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1afi n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88