#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4q n SER 2 N 0.00 -4.00 -3.74 1.61 2.88 -1.26 -4.94 113.62 104.18 1x4q n SER 2 Ca 0.00 -0.80 -0.04 0.00 -1.33 0.00 0.00 58.87 56.70 1x4q n SER 2 Cb 0.00 -3.87 -0.01 0.00 -0.75 0.00 0.00 64.21 59.57 1x4q n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4q s SER 3 N -3.53 -0.20 0.00 -3.46 1.04 -1.26 -5.17 113.70 101.12 1x4q s SER 3 Ca 0.53 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1x4q s SER 3 Cb -0.26 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1x4q s SER 3 CO 0.83 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1x4q n GLY 4 N -0.45 -0.74 3.24 7.32 0.00 -1.26 -5.07 105.19 108.22 1x4q n GLY 4 Ca -0.06 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1x4q n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4q s SER 5 N -4.00 -1.07 0.00 1.61 0.15 -1.26 -5.05 113.70 104.08 1x4q s SER 5 Ca 0.00 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1x4q s SER 5 Cb 0.00 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.27 1x4q s SER 5 CO 0.00 -0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.04 1x4q n SER 6 N 5.40 -4.76 0.00 5.45 7.64 -1.26 -4.71 113.62 121.38 1x4q n SER 6 Ca -0.05 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x4q n SER 6 Cb 0.51 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1x4q n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 7 N 1.12 -1.76 0.34 0.23 0.00 -1.26 -5.00 105.19 98.87 1x4q n GLY 7 Ca 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1x4q n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x4q n MET 8 N -0.63 0.28 -1.94 1.61 0.00 -1.26 -4.96 117.12 110.22 1x4q n MET 8 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1x4q n MET 8 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.13 1x4q n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x4q n ALA 9 N -3.22 -2.08 -2.38 -5.12 0.00 -1.26 -4.98 120.51 101.47 1x4q n ALA 9 Ca -0.23 0.46 -0.27 0.00 0.00 0.00 0.00 53.44 53.40 1x4q n ALA 9 Cb 0.70 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1x4q n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x4q s LEU 10 N -1.05 3.80 0.85 0.00 1.43 -1.21 -5.01 118.68 117.49 1x4q s LEU 10 Ca 0.00 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 53.83 1x4q s LEU 10 Cb 0.00 -3.73 0.17 0.00 0.03 0.00 0.00 46.19 42.66 1x4q s LEU 10 CO 0.00 -0.44 1.17 -0.94 0.23 0.00 0.00 176.35 176.38 1x4q s SER 11 N -3.82 3.67 0.28 2.29 1.04 -1.26 -4.84 113.70 111.07 1x4q s SER 11 Ca 0.46 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.85 1x4q s SER 11 Cb -0.10 -0.17 0.40 0.00 0.10 0.00 0.00 66.02 66.25 1x4q s SER 11 CO 0.39 -2.34 1.83 0.50 0.98 0.00 0.00 173.24 174.60 1x4q h LYS 12 N -1.14 0.84 -0.03 4.02 3.11 -1.99 -1.86 116.57 119.52 1x4q h LYS 12 Ca -0.41 -0.17 -0.25 0.00 -2.81 0.00 0.00 60.65 57.02 1x4q h LYS 12 Cb 1.25 -0.13 0.02 0.00 -1.00 0.00 0.00 32.23 32.37 1x4q h LYS 12 CO 0.39 0.75 -0.96 0.07 -2.81 0.00 0.00 179.45 176.89 1x4q h ARG 13 N 0.81 0.70 0.57 1.90 0.11 -1.98 -2.36 114.38 114.13 1x4q h ARG 13 Ca 0.18 -0.71 -0.02 0.00 0.10 0.00 0.00 59.98 59.52 1x4q h ARG 13 Cb 0.28 0.19 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 1x4q h ARG 13 CO -0.00 1.30 -0.33 0.93 0.10 0.00 0.00 179.97 181.97 1x4q h GLU 14 N 0.38 -0.81 -0.75 0.08 4.39 -1.88 -2.60 114.58 113.39 1x4q h GLU 14 Ca -0.11 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1x4q h GLU 14 Cb 1.61 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 30.41 1x4q h GLU 14 CO 0.19 -0.54 0.42 -0.07 -1.16 0.00 0.00 179.01 177.85 1x4q h LEU 15 N -0.84 0.92 -1.62 1.33 3.38 -1.46 -1.97 115.31 115.05 1x4q h LEU 15 Ca -0.07 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.00 1x4q h LEU 15 Cb 0.67 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1x4q h LEU 15 CO 0.09 0.73 0.52 0.44 0.09 0.00 0.00 178.44 180.30 1x4q h ASP 16 N 1.04 0.34 0.77 -0.43 3.32 -1.16 0.33 116.42 120.63 1x4q h ASP 16 Ca 0.27 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 1x4q h ASP 16 Cb 0.00 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1x4q h ASP 16 CO -0.05 0.17 -0.35 -0.33 -1.72 0.00 0.00 179.24 176.96 1x4q h GLU 17 N 0.36 0.00 0.10 3.56 5.08 -0.98 -3.03 114.58 119.67 1x4q h GLU 17 Ca 0.38 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.48 1x4q h GLU 17 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1x4q h GLU 17 CO -0.11 0.35 -1.21 -0.07 -1.00 0.00 0.00 179.01 176.97 1x4q h LEU 18 N 0.00 0.32 -0.97 1.33 4.07 -0.38 -3.31 115.31 116.37 1x4q h LEU 18 Ca -0.00 -0.35 0.09 0.00 0.08 0.00 0.00 57.88 57.69 1x4q h LEU 18 Cb 0.83 -0.10 -0.12 0.00 1.08 0.00 0.00 40.66 42.35 1x4q h LEU 18 CO 0.05 1.27 -0.57 0.11 -1.08 0.00 0.00 178.44 178.22 1x4q h LYS 19 N 0.06 -0.00 0.00 1.13 1.57 -1.15 1.35 116.57 119.52 1x4q h LYS 19 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1x4q h LYS 19 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 1x4q h LYS 19 CO 0.18 -0.00 0.00 -0.35 -0.57 0.00 0.00 179.45 178.71 1x4q n PRO 20 N -5.19 0.14 0.04 3.15 -0.04 -1.26 -1.20 135.00 130.65 1x4q n PRO 20 Ca 0.02 0.38 0.04 0.00 -0.04 0.00 0.00 63.50 63.89 1x4q n PRO 20 Cb 0.25 -1.77 -0.07 0.00 -0.04 0.00 0.00 33.50 31.87 1x4q n PRO 20 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1x4q n TRP 21 N -2.03 0.83 -0.06 0.54 -0.00 0.38 -4.01 117.44 113.09 1x4q n TRP 21 Ca 0.02 0.26 -0.22 0.00 -0.00 0.00 0.00 57.50 57.57 1x4q n TRP 21 Cb 0.21 -0.99 -0.13 0.00 -0.00 0.00 0.00 31.31 30.40 1x4q n TRP 21 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 1x4q n ILE 22 N -2.76 1.64 -0.21 5.87 5.41 0.31 -3.25 119.36 126.37 1x4q n ILE 22 Ca -0.08 -0.46 0.20 0.00 1.00 0.00 0.00 62.75 63.42 1x4q n ILE 22 Cb 0.75 -1.77 0.56 0.00 -0.71 0.00 0.00 39.64 38.47 1x4q n ILE 22 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x4q h GLU 23 N -0.33 0.31 0.07 0.38 5.08 -1.35 0.12 114.58 118.85 1x4q h GLU 23 Ca -0.47 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 57.73 1x4q h GLU 23 Cb 1.78 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1x4q h GLU 23 CO -0.08 0.20 -0.70 1.57 -1.00 0.00 0.00 179.01 179.00 1x4q h LYS 24 N 0.31 0.15 0.34 2.33 2.10 -1.73 -3.30 116.57 116.77 1x4q h LYS 24 Ca 0.44 -0.26 -0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1x4q h LYS 24 Cb 1.22 0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 1x4q h LYS 24 CO -0.13 1.13 -0.35 1.15 -2.00 0.00 0.00 179.45 179.24 1x4q h THR 25 N -0.64 0.28 -0.97 0.07 2.02 -1.30 -2.24 112.91 110.13 1x4q h THR 25 Ca -0.15 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.32 1x4q h THR 25 Cb 1.41 0.28 -0.14 0.00 -1.74 0.00 0.00 68.15 67.96 1x4q h THR 25 CO 0.04 0.00 0.48 0.58 0.37 0.00 0.00 175.52 176.99 1x4q h VAL 26 N -0.72 0.32 -0.39 3.16 2.07 -0.98 0.97 116.25 120.68 1x4q h VAL 26 Ca -0.02 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1x4q h VAL 26 Cb 0.65 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1x4q h VAL 26 CO -0.07 0.06 0.26 0.50 0.02 0.00 0.00 177.57 178.34 1x4q h LYS 27 N 0.32 0.49 0.05 1.57 3.64 -1.49 0.41 116.57 121.57 1x4q h LYS 27 Ca 0.68 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.91 1x4q h LYS 27 Cb 1.47 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1x4q h LYS 27 CO -0.61 0.32 -0.51 -0.09 -2.27 0.00 0.00 179.45 176.30 1x4q h ARG 28 N 0.51 0.25 -0.15 1.90 2.43 0.11 1.28 114.38 120.70 1x4q h ARG 28 Ca 0.15 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1x4q h ARG 28 Cb -0.02 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1x4q h ARG 28 CO -0.03 1.10 0.10 0.28 -1.51 0.00 0.00 179.97 179.90 1x4q h VAL 29 N -0.44 1.04 0.04 0.20 2.07 -0.81 -3.18 116.25 115.17 1x4q h VAL 29 Ca -0.08 -0.07 -0.30 0.00 0.82 0.00 0.00 66.70 67.07 1x4q h VAL 29 Cb 1.32 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1x4q h VAL 29 CO 0.10 0.04 -1.71 -0.07 0.02 0.00 0.00 177.57 175.94 1x4q h LEU 30 N 0.20 0.12 0.00 2.57 3.38 -1.05 -3.49 115.31 117.05 1x4q h LEU 30 Ca 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1x4q h LEU 30 Cb -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1x4q h LEU 30 CO -0.01 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.35 1x4q n GLY 31 N 1.64 0.55 0.00 0.83 0.00 0.44 -4.80 105.19 103.85 1x4q n GLY 31 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1x4q n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x4q n PHE 32 N -2.00 0.00 -0.56 1.61 1.16 -1.03 -4.88 117.46 111.77 1x4q n PHE 32 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1x4q n PHE 32 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1x4q n PHE 32 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1x4q n SER 33 N -1.36 -1.74 -4.44 5.98 2.88 -1.26 -4.80 113.62 108.88 1x4q n SER 33 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1x4q n SER 33 Cb 0.25 -0.87 -0.13 0.00 -0.75 0.00 0.00 64.21 62.70 1x4q n SER 33 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x4q s GLU 34 N -2.68 3.00 0.18 -1.46 2.56 -1.26 -4.91 118.70 114.13 1x4q s GLU 34 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 54.97 54.24 1x4q s GLU 34 Cb 0.00 -2.55 0.08 0.00 2.00 0.00 0.00 34.13 33.67 1x4q s GLU 34 CO 0.00 0.42 1.53 -1.00 -0.56 0.00 0.00 175.26 175.65 1x4q h PRO 35 N 6.03 0.75 -0.07 4.30 0.13 -1.99 -2.71 132.00 138.45 1x4q h PRO 35 Ca -0.36 -0.39 -0.05 0.00 -0.87 0.00 0.00 66.00 64.32 1x4q h PRO 35 Cb 1.18 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1x4q h PRO 35 CO 0.54 1.02 -0.21 0.00 -0.23 0.00 0.00 178.00 179.11 1x4q h THR 36 N 0.61 1.19 -0.04 1.56 1.03 -1.98 -2.95 112.91 112.33 1x4q h THR 36 Ca 0.05 -0.86 -0.12 0.00 -0.01 0.00 0.00 66.41 65.47 1x4q h THR 36 Cb 0.95 1.37 0.01 0.00 -1.07 0.00 0.00 68.15 69.41 1x4q h THR 36 CO 0.09 0.25 -0.44 0.58 -0.01 0.00 0.00 175.52 175.99 1x4q h VAL 37 N 0.10 1.44 -0.94 0.00 2.07 -1.84 -2.94 116.25 114.15 1x4q h VAL 37 Ca 0.02 -1.91 0.20 0.00 0.82 0.00 0.00 66.70 65.83 1x4q h VAL 37 Cb 0.43 2.48 -0.11 0.00 -1.52 0.00 0.00 31.29 32.57 1x4q h VAL 37 CO 0.03 0.55 0.50 0.58 0.02 0.00 0.00 177.57 179.25 1x4q h VAL 38 N -0.15 0.60 0.50 2.57 2.07 -1.31 -1.52 116.25 119.01 1x4q h VAL 38 Ca -0.04 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1x4q h VAL 38 Cb 1.13 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1x4q h VAL 38 CO 0.09 0.11 -0.24 0.74 0.02 0.00 0.00 177.57 178.28 1x4q h THR 39 N 0.58 0.14 -1.44 2.57 2.02 -1.58 -1.75 112.91 113.46 1x4q h THR 39 Ca 0.56 -0.52 0.42 0.00 0.77 0.00 0.00 66.41 67.64 1x4q h THR 39 Cb 0.97 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 1x4q h THR 39 CO -0.44 0.03 1.07 0.00 0.37 0.00 0.00 175.52 176.55 1x4q h ALA 40 N -1.02 3.36 0.00 6.16 0.00 -1.25 0.43 119.26 126.94 1x4q h ALA 40 Ca -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1x4q h ALA 40 Cb 0.56 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x4q h ALA 40 CO 0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 179.25 177.51 1x4q h ALA 41 N 1.21 0.01 -1.02 0.00 0.00 -1.22 -2.99 119.26 115.25 1x4q h ALA 41 Ca 0.69 -0.30 0.25 0.00 0.00 0.00 0.00 54.91 55.55 1x4q h ALA 41 Cb 2.83 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 20.53 1x4q h ALA 41 CO -0.01 0.03 0.63 -0.07 0.00 0.00 0.00 179.25 179.83 1x4q h LEU 42 N -1.00 0.57 -0.24 0.00 3.38 -0.03 0.75 115.31 118.74 1x4q h LEU 42 Ca -0.01 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1x4q h LEU 42 Cb 0.56 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1x4q h LEU 42 CO -0.00 0.11 -0.22 -1.13 0.09 0.00 0.00 178.44 177.29 1x4q h ASN 43 N 0.50 0.61 0.02 -0.43 -0.73 -1.31 -1.91 115.58 112.32 1x4q h ASN 43 Ca 0.61 -0.47 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1x4q h ASN 43 Cb 1.33 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.74 1x4q h ASN 43 CO -0.37 0.95 -0.12 0.00 -0.37 0.00 0.00 177.43 177.52 1x4q h VAL 45 N -0.16 0.95 -0.17 0.00 -1.51 -1.57 -0.62 116.25 113.16 1x4q h VAL 45 Ca 0.00 -0.20 -0.09 0.00 -1.23 0.00 0.00 66.70 65.18 1x4q h VAL 45 Cb 0.17 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 29.64 1x4q h VAL 45 CO -0.07 0.11 -0.30 1.23 -1.23 0.00 0.00 177.57 177.31 1x4q h GLY 46 N 0.58 0.36 -2.96 5.19 0.00 -0.63 -2.56 103.07 103.05 1x4q h GLY 46 Ca 0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1x4q h GLY 46 CO -0.10 0.27 0.09 1.17 0.00 0.00 0.00 176.54 177.98 1x4q n LYS 47 N -4.11 3.46 -1.13 4.80 4.81 0.20 -3.30 118.16 122.90 1x4q n LYS 47 Ca -0.01 -2.26 -0.09 0.00 -0.87 0.00 0.00 58.31 55.09 1x4q n LYS 47 Cb 0.41 -2.02 -0.04 0.00 0.02 0.00 0.00 35.03 33.40 1x4q n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x4q n GLY 48 N 0.24 0.83 3.20 3.14 0.00 -0.97 -4.86 105.19 106.77 1x4q n GLY 48 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1x4q n GLY 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4q n MET 49 N -0.95 -0.64 -4.30 1.61 2.81 -0.38 -4.83 117.12 110.45 1x4q n MET 49 Ca -0.09 -0.17 -0.25 0.00 -1.81 0.00 0.00 57.70 55.38 1x4q n MET 49 Cb 0.41 -1.45 -0.08 0.00 -0.71 0.00 0.00 33.22 31.38 1x4q n MET 49 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1x4q s ASP 50 N -1.54 4.37 0.34 7.83 1.01 -1.26 -4.83 116.67 122.59 1x4q s ASP 50 Ca 0.49 -0.62 0.13 0.00 0.71 0.00 0.00 52.55 53.26 1x4q s ASP 50 Cb -0.10 -0.77 1.08 0.00 1.01 0.00 0.00 42.92 44.15 1x4q s ASP 50 CO 0.69 0.06 1.60 0.11 0.21 0.00 0.00 175.17 177.84 1x4q h LYS 51 N 2.45 0.07 0.68 8.23 1.57 -1.96 0.41 116.57 128.01 1x4q h LYS 51 Ca -0.45 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1x4q h LYS 51 Cb 1.23 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.53 1x4q h LYS 51 CO 0.57 0.05 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.96 1x4q h LYS 52 N 0.07 -0.87 0.72 3.15 3.64 -1.99 -1.56 116.57 119.73 1x4q h LYS 52 Ca 0.73 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 60.14 1x4q h LYS 52 Cb 1.77 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.78 1x4q h LYS 52 CO -0.77 -0.58 -0.49 0.87 -2.27 0.00 0.00 179.45 176.20 1x4q h LYS 53 N -0.93 -1.11 -0.98 1.90 1.57 -1.48 -2.13 116.57 113.41 1x4q h LYS 53 Ca -0.09 0.08 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 1x4q h LYS 53 Cb 0.70 0.25 -0.15 0.00 0.08 0.00 0.00 32.23 33.11 1x4q h LYS 53 CO 0.15 -0.74 -0.44 0.00 -0.57 0.00 0.00 179.45 177.86 1x4q h ALA 54 N -1.14 -0.03 -0.64 3.86 0.00 -0.36 0.54 119.26 121.48 1x4q h ALA 54 Ca -0.10 0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1x4q h ALA 54 Cb 0.93 1.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.74 1x4q h ALA 54 CO 0.07 -0.71 0.24 0.00 0.00 0.00 0.00 179.25 178.85 1x4q h ALA 55 N 1.14 0.84 -0.43 0.00 0.00 -1.14 0.17 119.26 119.84 1x4q h ALA 55 Ca 0.30 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1x4q h ALA 55 Cb 0.55 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1x4q h ALA 55 CO -0.96 -0.20 0.02 0.22 0.00 0.00 0.00 179.25 178.33 1x4q h ASP 56 N 0.41 0.66 0.37 0.00 1.82 0.56 0.53 116.42 120.77 1x4q h ASP 56 Ca 0.33 -0.14 -0.14 0.00 -0.39 0.00 0.00 57.03 56.69 1x4q h ASP 56 Cb 0.44 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1x4q h ASP 56 CO -0.33 0.71 -0.58 -0.74 -1.61 0.00 0.00 179.24 176.69 1x4q h HIS 57 N 0.66 0.28 0.00 0.28 2.76 0.11 -3.00 115.15 116.23 1x4q h HIS 57 Ca 0.14 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1x4q h HIS 57 Cb 0.38 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1x4q h HIS 57 CO 0.02 0.75 -0.75 1.28 -1.30 0.00 0.00 177.93 177.92 1x4q n LEU 58 N -3.89 0.65 -0.23 0.26 4.77 0.43 -4.35 117.00 114.64 1x4q n LEU 58 Ca -0.02 0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1x4q n LEU 58 Cb 0.60 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1x4q n LEU 58 CO 0.44 -0.01 0.49 0.11 -1.33 0.00 0.00 177.39 177.10 1x4q h LYS 59 N 0.00 -0.25 0.00 3.23 1.57 0.21 1.68 116.57 123.02 1x4q h LYS 59 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1x4q h LYS 59 Cb 0.72 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1x4q h LYS 59 CO 0.00 -0.17 0.00 -0.35 -0.57 0.00 0.00 179.45 178.36 1x4q n PRO 60 N -5.28 0.24 -0.01 3.15 -0.04 -1.26 0.22 135.00 132.03 1x4q n PRO 60 Ca -0.02 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1x4q n PRO 60 Cb 0.31 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 1x4q n PRO 60 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4q n PHE 61 N -1.26 0.00 0.00 0.54 3.72 0.25 -4.83 117.46 115.88 1x4q n PHE 61 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1x4q n PHE 61 Cb 0.11 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1x4q n PHE 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1x4q n LEU 62 N -1.85 0.01 0.00 4.37 4.77 0.51 -4.79 117.00 120.02 1x4q n LEU 62 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1x4q n LEU 62 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1x4q n LEU 62 CO 0.30 -0.40 0.00 0.47 -1.33 0.00 0.00 177.39 176.42 1x4q n ASP 63 N -2.55 0.00 0.19 -1.43 8.00 0.60 -2.52 116.55 118.84 1x4q n ASP 63 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1x4q n ASP 63 Cb 0.08 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.58 1x4q n ASP 63 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1x4q h ASP 64 N 0.00 0.00 -0.39 -2.24 3.32 -1.95 -3.19 116.42 111.98 1x4q h ASP 64 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1x4q h ASP 64 Cb 0.00 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.31 1x4q h ASP 64 CO 0.00 0.00 -0.69 -1.20 -1.72 0.00 0.00 179.24 175.63 1x4q n SER 65 N -2.75 3.29 0.00 6.45 7.64 -1.05 -4.80 113.62 122.40 1x4q n SER 65 Ca 0.03 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.19 1x4q n SER 65 Cb 0.41 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1x4q n SER 65 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x4q n THR 66 N -0.85 0.00 -0.05 0.44 -1.04 -1.21 -2.51 114.28 109.06 1x4q n THR 66 Ca 0.31 0.25 0.25 0.00 -2.04 0.00 0.00 64.05 62.82 1x4q n THR 66 Cb 0.85 -1.05 0.66 0.00 -1.82 0.00 0.00 70.33 68.97 1x4q n THR 66 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1x4q h LEU 67 N 0.00 0.00 0.12 -4.42 3.38 -1.88 0.23 115.31 112.73 1x4q h LEU 67 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1x4q h LEU 67 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x4q h LEU 67 CO 0.00 0.00 -1.43 -0.09 0.09 0.00 0.00 178.44 177.01 1x4q h ARG 68 N 0.00 0.25 0.32 1.13 2.43 -1.87 -3.26 114.38 113.37 1x4q h ARG 68 Ca 0.33 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1x4q h ARG 68 Cb 1.78 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1x4q h ARG 68 CO -0.00 1.21 -0.15 0.35 -1.51 0.00 0.00 179.97 179.86 1x4q h PHE 69 N -0.28 -0.39 -1.31 2.20 3.04 -0.36 -3.08 116.94 116.76 1x4q h PHE 69 Ca -0.31 -0.01 0.39 0.00 3.98 0.00 0.00 57.97 62.02 1x4q h PHE 69 Cb 1.78 0.13 -0.09 0.00 2.56 0.00 0.00 35.95 40.33 1x4q h PHE 69 CO 0.12 -0.25 0.88 -0.24 -2.02 0.00 0.00 178.31 176.81 1x4q h VAL 70 N -0.54 0.28 -0.35 1.41 3.04 -1.15 0.34 116.25 119.28 1x4q h VAL 70 Ca -0.04 -0.05 0.04 0.00 -1.01 0.00 0.00 66.70 65.64 1x4q h VAL 70 Cb 0.33 0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 29.70 1x4q h VAL 70 CO 0.07 0.02 0.11 -0.78 -1.01 0.00 0.00 177.57 175.98 1x4q h ASP 71 N 0.13 0.10 -0.07 3.17 1.82 -1.58 -1.93 116.42 118.06 1x4q h ASP 71 Ca 0.72 0.04 -0.22 0.00 -0.39 0.00 0.00 57.03 57.17 1x4q h ASP 71 Cb 2.39 0.04 0.01 0.00 0.68 0.00 0.00 39.33 42.45 1x4q h ASP 71 CO -0.23 0.09 -0.84 0.11 -1.61 0.00 0.00 179.24 176.77 1x4q h LYS 72 N 0.25 0.68 -0.00 0.28 1.79 -0.33 -3.20 116.57 116.03 1x4q h LYS 72 Ca 0.16 -0.65 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1x4q h LYS 72 Cb 0.15 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1x4q h LYS 72 CO -0.18 1.25 -0.05 1.25 -1.08 0.00 0.00 179.45 180.64 1x4q h LEU 73 N 0.36 -0.16 -0.88 2.94 5.85 -0.93 0.37 115.31 122.86 1x4q h LEU 73 Ca -0.09 0.02 0.23 0.00 0.84 0.00 0.00 57.88 58.88 1x4q h LEU 73 Cb 1.49 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 42.43 1x4q h LEU 73 CO 0.17 -0.05 0.11 -0.26 -0.34 0.00 0.00 178.44 178.07 1x4q h PHE 74 N -0.06 0.13 0.00 1.25 -1.00 -1.50 1.32 116.94 117.07 1x4q h PHE 74 Ca 0.00 0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 1x4q h PHE 74 Cb 0.07 0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1x4q h PHE 74 CO -0.39 -0.29 -0.19 0.93 -1.61 0.00 0.00 178.31 176.76 1x4q h GLU 75 N 0.11 0.00 -0.38 1.51 5.08 -1.38 -2.91 114.58 116.62 1x4q h GLU 75 Ca 0.53 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.96 1x4q h GLU 75 Cb 1.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 1x4q h GLU 75 CO -0.74 0.19 0.03 0.00 -1.00 0.00 0.00 179.01 177.48 1x4q h ALA 76 N 1.81 0.36 -1.07 3.43 0.00 0.60 -0.75 119.26 123.65 1x4q h ALA 76 Ca -0.00 0.10 0.42 0.00 0.00 0.00 0.00 54.91 55.42 1x4q h ALA 76 Cb 0.38 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 18.16 1x4q h ALA 76 CO 0.02 -0.37 0.61 0.28 0.00 0.00 0.00 179.25 179.79 1x4q h VAL 77 N 0.13 0.04 0.00 0.00 2.07 -1.43 1.76 116.25 118.82 1x4q h VAL 77 Ca 0.18 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.61 1x4q h VAL 77 Cb 0.24 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1x4q h VAL 77 CO -0.28 0.01 -1.19 -0.62 0.02 0.00 0.00 177.57 175.50 1x4q n GLU 78 N -5.13 0.61 0.07 1.57 -0.58 -0.61 -2.98 120.64 113.58 1x4q n GLU 78 Ca 0.38 0.17 -0.07 0.00 -0.42 0.00 0.00 57.16 57.22 1x4q n GLU 78 Cb 1.30 -1.82 -0.04 0.00 -0.57 0.00 0.00 31.44 30.31 1x4q n GLU 78 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1x4q h GLU 79 N 0.00 -0.26 -0.35 3.49 4.57 0.38 0.44 114.58 122.85 1x4q h GLU 79 Ca -0.08 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 1x4q h GLU 79 Cb 1.27 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 1x4q h GLU 79 CO 0.02 -0.01 -0.21 0.78 -1.18 0.00 0.00 179.01 178.41 1x4q h GLY 80 N -1.02 0.73 0.00 1.92 0.00 -0.36 -3.34 103.07 101.00 1x4q h GLY 80 Ca -0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1x4q h GLY 80 CO 0.05 0.55 -0.48 3.21 0.00 0.00 0.00 176.54 179.86 1x4q h ARG 81 N 0.59 0.00 -3.95 4.80 3.08 -1.67 -3.51 114.38 113.72 1x4q h ARG 81 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1x4q h ARG 81 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1x4q h ARG 81 CO 0.05 0.21 -1.00 0.45 -1.07 0.00 0.00 179.97 178.62 1x4q n SER 82 N -4.63 -9.03 -4.39 7.04 2.88 0.15 -4.99 113.62 100.66 1x4q n SER 82 Ca -0.10 1.64 -0.30 0.00 -1.33 0.00 0.00 58.87 58.79 1x4q n SER 82 Cb 0.28 -5.31 -0.13 0.00 -0.75 0.00 0.00 64.21 58.30 1x4q n SER 82 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4q s SER 83 N -4.49 3.37 0.18 -3.46 0.01 -1.26 -5.04 113.70 103.01 1x4q s SER 83 Ca 0.00 -0.63 -0.13 0.00 1.31 0.00 0.00 55.95 56.50 1x4q s SER 83 Cb 0.00 -0.32 0.08 0.00 0.21 0.00 0.00 66.02 65.98 1x4q s SER 83 CO 0.00 0.22 1.81 0.03 0.41 0.00 0.00 173.24 175.71 1x4q h ARG 84 N 4.30 0.79 -0.89 12.44 3.08 -2.02 -2.98 114.38 129.10 1x4q h ARG 84 Ca -0.49 -0.07 0.14 0.00 0.07 0.00 0.00 59.98 59.63 1x4q h ARG 84 Cb 1.16 -0.16 -0.15 0.00 0.08 0.00 0.00 29.97 30.90 1x4q h ARG 84 CO 0.42 0.57 -0.33 1.58 -1.07 0.00 0.00 179.97 181.15 1x4q n HIS 85 N -4.63 0.07 -2.92 3.04 -0.00 -1.26 -4.17 115.22 105.35 1x4q n HIS 85 Ca 0.04 1.09 -0.40 0.00 0.46 0.00 0.00 57.72 58.91 1x4q n HIS 85 Cb 0.06 -0.86 -0.05 0.00 -0.12 0.00 0.00 29.99 29.02 1x4q n HIS 85 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1x4q s SER 86 N -5.31 7.24 -0.22 0.26 0.15 -1.13 -4.96 113.70 109.73 1x4q s SER 86 Ca -0.12 1.48 0.12 0.00 0.70 0.00 0.00 55.95 58.13 1x4q s SER 86 Cb 0.19 -2.49 0.44 0.00 -1.71 0.00 0.00 66.02 62.45 1x4q s SER 86 CO 0.64 -0.05 1.19 -1.20 1.20 0.00 0.00 173.24 175.03 1x4q n SER 87 N 3.08 2.78 -3.70 5.45 7.64 -1.26 -4.77 113.62 122.85 1x4q n SER 87 Ca -0.01 -3.48 -0.30 0.00 1.01 0.00 0.00 58.87 56.09 1x4q n SER 87 Cb 0.50 -0.43 0.23 0.00 -1.01 0.00 0.00 64.21 63.50 1x4q n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 88 N -0.75 -2.26 3.57 0.23 0.00 -1.26 -4.92 105.19 99.79 1x4q n GLY 88 Ca 0.26 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1x4q n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4q s PRO 89 N -5.66 2.89 -0.22 1.61 0.04 -1.26 -4.66 135.00 127.74 1x4q s PRO 89 Ca 0.73 0.86 0.06 0.00 0.04 0.00 0.00 61.00 62.69 1x4q s PRO 89 Cb -0.05 -4.31 0.21 0.00 0.04 0.00 0.00 34.50 30.40 1x4q s PRO 89 CO 0.54 -2.40 1.09 -1.13 0.04 0.00 0.00 177.00 175.13 1x4q n SER 90 N 11.78 -0.94 -0.33 6.66 3.41 -1.26 -5.02 113.62 127.92 1x4q n SER 90 Ca 0.21 -1.73 0.03 0.00 -0.26 0.00 0.00 58.87 57.12 1x4q n SER 90 Cb 0.50 0.52 0.10 0.00 -0.26 0.00 0.00 64.21 65.07 1x4q n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4q n SER 91 N -0.76 -0.40 0.00 4.04 7.64 -1.26 -5.16 113.62 117.72 1x4q n SER 91 Ca -0.11 1.55 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1x4q n SER 91 Cb 0.71 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64