#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4q s SER 2 N 0.00 5.47 0.00 1.61 1.04 -1.26 -5.07 113.70 115.50 1x4q s SER 2 Ca 0.00 1.73 0.05 0.00 0.48 0.00 0.00 55.95 58.21 1x4q s SER 2 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 1x4q s SER 2 CO 0.00 -1.38 -0.16 -0.94 0.98 0.00 0.00 173.24 171.75 1x4q s SER 3 N -3.29 1.83 -0.82 7.02 1.04 -1.26 -5.06 113.70 113.17 1x4q s SER 3 Ca 0.61 -0.33 -0.27 0.00 0.48 0.00 0.00 55.95 56.44 1x4q s SER 3 Cb -0.15 -0.18 -0.18 0.00 0.10 0.00 0.00 66.02 65.61 1x4q s SER 3 CO 0.47 0.16 2.53 0.61 0.98 0.00 0.00 173.24 177.99 1x4q n GLY 4 N 2.49 -0.24 3.62 7.32 0.00 -1.26 -4.86 105.19 112.25 1x4q n GLY 4 Ca -0.15 0.81 -0.42 0.00 0.00 0.00 0.00 46.02 46.26 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 9.31 6.76 0.47 1.61 0.15 -1.26 -4.88 113.70 125.86 1x4q s SER 5 Ca 1.20 0.78 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1x4q s SER 5 Cb -0.78 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.06 1x4q s SER 5 CO 0.39 -0.77 0.00 -0.24 1.20 0.00 0.00 173.24 173.83 1x4q n SER 6 N 6.57 -8.80 -4.65 5.45 2.88 -1.26 -4.84 113.62 108.97 1x4q n SER 6 Ca 0.07 0.97 -0.30 0.00 -1.33 0.00 0.00 58.87 58.29 1x4q n SER 6 Cb 0.48 -4.70 0.17 0.00 -0.75 0.00 0.00 64.21 59.41 1x4q n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4q s GLY 7 N -7.26 1.62 -0.01 0.46 0.00 -1.26 -4.98 107.32 95.89 1x4q s GLY 7 Ca 0.00 0.09 -0.22 0.00 0.00 0.00 0.00 44.72 44.59 1x4q s GLY 7 CO 0.00 0.62 0.98 1.98 0.00 0.00 0.00 173.10 176.68 1x4q h MET 8 N -1.89 -0.54 -3.87 2.90 -1.53 -1.85 -3.48 114.93 104.66 1x4q h MET 8 Ca -0.51 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 55.79 1x4q h MET 8 Cb 1.29 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 32.46 1x4q h MET 8 CO 0.50 -0.25 -0.85 0.00 0.14 0.00 0.00 176.91 176.45 1x4q n ALA 9 N -2.62 -2.15 -2.76 0.39 0.00 -1.26 -4.92 120.51 107.20 1x4q n ALA 9 Ca -0.09 0.43 -0.27 0.00 0.00 0.00 0.00 53.44 53.51 1x4q n ALA 9 Cb 0.28 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.97 3.68 0.60 0.00 1.43 -1.18 -4.95 118.68 117.29 1x4q s LEU 10 Ca 0.00 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 1x4q s LEU 10 Cb 0.00 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1x4q s LEU 10 CO 0.00 0.09 0.99 -0.94 0.23 0.00 0.00 176.35 176.72 1x4q s SER 11 N -2.96 6.24 0.34 2.29 1.04 -1.26 -4.82 113.70 114.57 1x4q s SER 11 Ca 0.30 1.35 0.11 0.00 0.48 0.00 0.00 55.95 58.19 1x4q s SER 11 Cb -0.10 -2.44 0.89 0.00 0.10 0.00 0.00 66.02 64.47 1x4q s SER 11 CO 0.22 -0.82 1.77 0.50 0.98 0.00 0.00 173.24 175.89 1x4q h LYS 12 N -0.22 0.58 -0.02 4.02 3.64 -2.00 0.03 116.57 122.61 1x4q h LYS 12 Ca -0.44 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 58.68 1x4q h LYS 12 Cb 1.19 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1x4q h LYS 12 CO 0.62 0.39 -0.83 0.07 -2.27 0.00 0.00 179.45 177.43 1x4q h ARG 13 N 0.60 0.60 0.21 1.90 0.11 -1.99 -2.84 114.38 112.98 1x4q h ARG 13 Ca 0.59 -0.62 0.01 0.00 0.10 0.00 0.00 59.98 60.07 1x4q h ARG 13 Cb 1.15 0.17 -0.04 0.00 1.11 0.00 0.00 29.97 32.36 1x4q h ARG 13 CO -0.37 1.23 -0.42 0.93 0.10 0.00 0.00 179.97 181.43 1x4q h GLU 14 N 0.22 -0.69 -0.86 0.08 5.08 -1.39 -2.05 114.58 114.96 1x4q h GLU 14 Ca -0.10 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1x4q h GLU 14 Cb 1.50 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.85 1x4q h GLU 14 CO 0.16 -0.46 0.57 -0.07 -1.00 0.00 0.00 179.01 178.21 1x4q h LEU 15 N -0.72 0.91 -1.35 1.33 3.38 -1.38 -1.69 115.31 115.79 1x4q h LEU 15 Ca 0.00 -0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.21 1x4q h LEU 15 Cb 0.71 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1x4q h LEU 15 CO -0.19 0.62 0.65 -0.78 0.09 0.00 0.00 178.44 178.83 1x4q h ASP 16 N 1.05 0.47 0.48 -0.43 1.82 -1.12 0.64 116.42 119.34 1x4q h ASP 16 Ca 0.35 0.08 -0.09 0.00 -0.39 0.00 0.00 57.03 56.98 1x4q h ASP 16 Cb 0.06 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 1x4q h ASP 16 CO -0.11 0.12 -0.43 -0.33 -1.61 0.00 0.00 179.24 176.88 1x4q h GLU 17 N 0.43 0.00 0.07 0.28 4.39 -1.03 -2.94 114.58 115.78 1x4q h GLU 17 Ca 0.57 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 60.03 1x4q h GLU 17 Cb 1.38 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 1x4q h GLU 17 CO -0.28 0.43 -1.09 -0.07 -1.16 0.00 0.00 179.01 176.83 1x4q h LEU 18 N 0.00 0.30 -0.81 1.33 4.07 0.19 -3.30 115.31 117.10 1x4q h LEU 18 Ca -0.00 -0.30 0.08 0.00 0.08 0.00 0.00 57.88 57.73 1x4q h LEU 18 Cb 0.78 -0.10 -0.10 0.00 1.08 0.00 0.00 40.66 42.32 1x4q h LEU 18 CO 0.06 1.20 -0.54 0.11 -1.08 0.00 0.00 178.44 178.18 1x4q h LYS 19 N 0.07 -0.08 0.00 1.13 1.57 -0.93 1.15 116.57 119.48 1x4q h LYS 19 Ca -0.08 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1x4q h LYS 19 Cb 1.80 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1x4q h LYS 19 CO 0.17 -0.05 0.00 -0.35 -0.57 0.00 0.00 179.45 178.65 1x4q n PRO 20 N -5.11 0.06 0.02 3.15 -0.04 -1.25 -1.40 135.00 130.42 1x4q n PRO 20 Ca 0.01 0.31 0.04 0.00 -0.04 0.00 0.00 63.50 63.81 1x4q n PRO 20 Cb 0.26 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 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 -1.72 0.61 -0.05 0.54 -0.00 0.31 -4.05 117.44 113.08 1x4q n TRP 21 Ca 0.03 0.19 -0.22 0.00 -0.00 0.00 0.00 57.50 57.51 1x4q n TRP 21 Cb 0.18 -0.91 -0.13 0.00 -0.00 0.00 0.00 31.31 30.45 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 -2.68 1.66 -0.22 5.87 5.41 0.32 -3.29 119.36 126.43 1x4q n ILE 22 Ca -0.10 -0.46 0.16 0.00 1.00 0.00 0.00 62.75 63.36 1x4q n ILE 22 Cb 0.76 -1.78 0.48 0.00 -0.71 0.00 0.00 39.64 38.39 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 -0.30 0.46 0.26 0.38 5.08 -1.44 0.19 114.58 119.21 1x4q h GLU 23 Ca -0.45 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 57.54 1x4q h GLU 23 Cb 1.80 -0.10 0.04 0.00 0.50 0.00 0.00 28.75 30.98 1x4q h GLU 23 CO -0.05 0.30 -1.49 1.57 -1.00 0.00 0.00 179.01 178.34 1x4q h LYS 24 N 0.47 0.55 0.27 2.33 2.10 -1.73 -3.24 116.57 117.32 1x4q h LYS 24 Ca 0.43 -0.94 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 1x4q h LYS 24 Cb 0.96 0.35 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1x4q h LYS 24 CO -0.16 1.45 -0.13 1.15 -2.00 0.00 0.00 179.45 179.75 1x4q h THR 25 N 0.15 0.77 -1.00 0.07 2.02 -1.19 -2.84 112.91 110.89 1x4q h THR 25 Ca -0.26 -0.29 0.22 0.00 0.77 0.00 0.00 66.41 66.86 1x4q h THR 25 Cb 2.18 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 69.42 1x4q h THR 25 CO 0.28 0.06 0.62 0.58 0.37 0.00 0.00 175.52 177.43 1x4q h VAL 26 N -0.52 0.61 0.00 3.16 2.07 -0.82 0.73 116.25 121.48 1x4q h VAL 26 Ca -0.04 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1x4q h VAL 26 Cb 0.38 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1x4q h VAL 26 CO 0.06 0.11 -0.13 0.50 0.02 0.00 0.00 177.57 178.13 1x4q h LYS 27 N 0.59 0.00 0.17 1.57 3.64 -1.53 -0.15 116.57 120.85 1x4q h LYS 27 Ca 0.59 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.61 1x4q h LYS 27 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1x4q h LYS 27 CO -0.36 0.13 -1.81 -0.09 -2.27 0.00 0.00 179.45 175.05 1x4q h ARG 28 N 0.00 0.35 -0.09 1.90 2.43 0.55 0.80 114.38 120.32 1x4q h ARG 28 Ca -0.00 -0.60 -0.03 0.00 -0.81 0.00 0.00 59.98 58.54 1x4q h ARG 28 Cb 0.38 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1x4q h ARG 28 CO 0.02 1.27 -0.06 0.28 -1.51 0.00 0.00 179.97 179.97 1x4q h VAL 29 N 0.10 1.33 0.00 0.20 2.07 -0.79 -3.29 116.25 115.87 1x4q h VAL 29 Ca -0.36 -1.12 -0.22 0.00 0.82 0.00 0.00 66.70 65.82 1x4q h VAL 29 Cb 2.08 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 33.69 1x4q h VAL 29 CO 0.15 0.32 -1.44 -0.07 0.02 0.00 0.00 177.57 176.55 1x4q h LEU 30 N -0.17 0.00 0.00 2.57 3.38 -1.20 -3.48 115.31 116.40 1x4q h LEU 30 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1x4q h LEU 30 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x4q h LEU 30 CO 0.02 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1x4q n GLY 31 N 1.45 2.40 0.00 0.83 0.00 0.27 -4.69 105.19 105.44 1x4q n GLY 31 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.46 1.61 1.16 -1.23 -4.89 117.46 110.65 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 -1.13 -1.87 0.00 0.00 176.76 173.76 1x4q n SER 33 N -1.02 -7.97 -3.93 5.98 3.41 -1.26 -4.91 113.62 103.92 1x4q n SER 33 Ca 0.00 1.14 -0.14 0.00 -0.26 0.00 0.00 58.87 59.60 1x4q n SER 33 Cb 0.00 -4.29 -0.14 0.00 -0.26 0.00 0.00 64.21 59.52 1x4q n SER 33 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1x4q s GLU 34 N -3.89 0.26 0.05 4.33 2.56 -1.26 -4.94 118.70 115.80 1x4q s GLU 34 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 54.97 54.65 1x4q s GLU 34 Cb 0.00 -0.24 -0.14 0.00 2.00 0.00 0.00 34.13 35.75 1x4q s GLU 34 CO 0.00 0.07 1.35 -1.00 -0.56 0.00 0.00 175.26 175.12 1x4q h PRO 35 N 6.03 0.40 -0.65 4.30 0.13 -2.00 -2.67 132.00 137.55 1x4q h PRO 35 Ca -0.26 -0.21 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1x4q h PRO 35 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1x4q h PRO 35 CO 0.50 0.77 0.43 0.00 -0.23 0.00 0.00 178.00 179.47 1x4q h THR 36 N 0.05 1.16 -0.31 1.56 1.03 -1.98 -2.48 112.91 111.94 1x4q h THR 36 Ca 0.03 -0.30 -0.09 0.00 -0.01 0.00 0.00 66.41 66.04 1x4q h THR 36 Cb 0.70 0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 67.99 1x4q h THR 36 CO 0.04 0.16 -0.14 0.58 -0.01 0.00 0.00 175.52 176.15 1x4q h VAL 37 N 0.87 1.29 -0.87 0.00 2.07 -1.86 -2.19 116.25 115.56 1x4q h VAL 37 Ca 0.24 -1.24 0.14 0.00 0.82 0.00 0.00 66.70 66.66 1x4q h VAL 37 Cb -0.10 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 1x4q h VAL 37 CO -0.05 0.40 0.47 0.58 0.02 0.00 0.00 177.57 178.99 1x4q h VAL 38 N 0.40 0.76 0.33 2.57 2.07 -1.08 -2.26 116.25 119.03 1x4q h VAL 38 Ca 0.07 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1x4q h VAL 38 Cb 0.66 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1x4q h VAL 38 CO 0.04 0.12 -0.16 0.74 0.02 0.00 0.00 177.57 178.34 1x4q h THR 39 N 0.68 0.41 -1.74 2.57 2.02 -1.43 -2.32 112.91 113.09 1x4q h THR 39 Ca 0.47 -0.76 0.52 0.00 0.77 0.00 0.00 66.41 67.41 1x4q h THR 39 Cb 0.64 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 67.61 1x4q h THR 39 CO -0.35 0.09 1.23 0.00 0.37 0.00 0.00 175.52 176.87 1x4q h ALA 40 N -0.71 3.53 0.00 6.16 0.00 -1.10 0.34 119.26 127.47 1x4q h ALA 40 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1x4q h ALA 40 Cb 0.49 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x4q h ALA 40 CO 0.07 -2.09 -0.18 0.00 0.00 0.00 0.00 179.25 177.05 1x4q h ALA 41 N 1.20 0.04 -0.89 0.00 0.00 -1.38 -3.08 119.26 115.14 1x4q h ALA 41 Ca 0.88 -0.54 0.18 0.00 0.00 0.00 0.00 54.91 55.44 1x4q h ALA 41 Cb 3.36 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 21.19 1x4q h ALA 41 CO -0.12 0.10 0.58 -0.07 0.00 0.00 0.00 179.25 179.75 1x4q h LEU 42 N -1.00 0.50 -0.21 0.00 3.38 0.15 -0.73 115.31 117.40 1x4q h LEU 42 Ca -0.05 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1x4q h LEU 42 Cb 0.91 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1x4q h LEU 42 CO -0.03 0.22 -0.20 -1.13 0.09 0.00 0.00 178.44 177.39 1x4q h ASN 43 N 0.51 0.53 0.00 -0.43 -0.73 -1.11 -2.06 115.58 112.30 1x4q h ASN 43 Ca 0.47 -0.48 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1x4q h ASN 43 Cb 1.01 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.45 1x4q h ASN 43 CO -0.20 0.90 0.00 0.00 -0.37 0.00 0.00 177.43 177.76 1x4q h VAL 45 N 0.00 0.71 -0.03 0.00 -1.51 -1.59 0.20 116.25 114.03 1x4q h VAL 45 Ca 0.00 -0.26 -0.03 0.00 -1.23 0.00 0.00 66.70 65.18 1x4q h VAL 45 Cb 0.00 -0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 29.05 1x4q h VAL 45 CO 0.00 0.14 -0.12 1.23 -1.23 0.00 0.00 177.57 177.58 1x4q h GLY 46 N 0.75 0.04 -3.23 5.19 0.00 -1.03 -1.50 103.07 103.29 1x4q h GLY 46 Ca 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.83 1x4q h GLY 46 CO -0.38 0.02 0.05 1.17 0.00 0.00 0.00 176.54 177.40 1x4q n LYS 47 N -4.37 4.12 -0.99 4.80 0.00 0.62 -3.08 118.16 119.26 1x4q n LYS 47 Ca -0.02 -2.68 -0.06 0.00 0.00 0.00 0.00 58.31 55.55 1x4q n LYS 47 Cb 0.21 -2.14 -0.03 0.00 0.00 0.00 0.00 35.03 33.06 1x4q n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x4q n GLY 48 N 0.39 0.61 3.17 3.14 0.00 -0.56 -4.72 105.19 107.22 1x4q n GLY 48 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.61 -1.39 -4.35 1.61 2.81 -0.78 -4.43 117.12 109.99 1x4q n MET 49 Ca -0.06 -0.40 -0.27 0.00 -1.81 0.00 0.00 57.70 55.16 1x4q n MET 49 Cb 0.37 -1.51 -0.11 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.68 3.83 0.35 7.83 1.01 -1.26 -4.82 116.67 121.93 1x4q s ASP 50 Ca 0.48 -0.71 0.16 0.00 0.71 0.00 0.00 52.55 53.20 1x4q s ASP 50 Cb -0.06 -0.48 1.19 0.00 1.01 0.00 0.00 42.92 44.58 1x4q s ASP 50 CO 0.60 0.12 1.60 0.11 0.21 0.00 0.00 175.17 177.82 1x4q h LYS 51 N 3.16 0.08 -0.37 8.23 1.57 -1.95 0.96 116.57 128.25 1x4q h LYS 51 Ca -0.47 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1x4q h LYS 51 Cb 1.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1x4q h LYS 51 CO 0.50 0.05 0.08 0.87 -0.57 0.00 0.00 179.45 180.38 1x4q h LYS 52 N 0.08 0.61 0.38 3.15 1.57 -2.00 -2.45 116.57 117.91 1x4q h LYS 52 Ca 0.78 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 59.39 1x4q h LYS 52 Cb 1.95 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.18 1x4q h LYS 52 CO -0.75 0.66 -0.18 0.87 -0.57 0.00 0.00 179.45 179.48 1x4q h LYS 53 N 0.46 -0.49 -0.99 3.15 1.57 0.25 -3.21 116.57 117.32 1x4q h LYS 53 Ca 0.12 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.08 1x4q h LYS 53 Cb 0.33 0.11 -0.16 0.00 0.08 0.00 0.00 32.23 32.59 1x4q h LYS 53 CO 0.00 -0.32 -0.38 0.00 -0.57 0.00 0.00 179.45 178.18 1x4q n ALA 54 N -2.74 -0.11 -0.22 3.86 0.00 0.17 0.31 120.51 121.79 1x4q n ALA 54 Ca -0.06 0.99 0.01 0.00 0.00 0.00 0.00 53.44 54.38 1x4q n ALA 54 Cb 0.20 -0.45 0.10 0.00 0.00 0.00 0.00 19.45 19.30 1x4q n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4q h ALA 55 N 1.39 0.60 -0.27 0.00 0.00 -1.54 0.56 119.26 119.99 1x4q h ALA 55 Ca 0.35 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.55 1x4q h ALA 55 Cb 0.60 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1x4q h ALA 55 CO -0.98 -0.41 0.20 0.22 0.00 0.00 0.00 179.25 178.28 1x4q h ASP 56 N 0.09 0.00 0.96 0.00 3.58 -0.14 0.84 116.42 121.74 1x4q h ASP 56 Ca 0.34 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.60 1x4q h ASP 56 Cb 0.55 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 1x4q h ASP 56 CO -0.58 0.00 -1.11 -0.74 -2.88 0.00 0.00 179.24 173.93 1x4q h HIS 57 N 0.00 0.00 0.00 0.28 2.76 0.50 -3.30 115.15 115.39 1x4q h HIS 57 Ca 0.13 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1x4q h HIS 57 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1x4q h HIS 57 CO 0.00 0.73 -0.74 1.28 -1.30 0.00 0.00 177.93 177.90 1x4q n LEU 58 N -3.12 0.62 -0.13 0.26 4.77 0.44 -4.35 117.00 115.49 1x4q n LEU 58 Ca -0.05 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 1x4q n LEU 58 Cb 0.87 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.71 1x4q n LEU 58 CO 0.44 0.04 0.51 0.50 -1.33 0.00 0.00 177.39 177.55 1x4q h LYS 59 N 0.00 -0.38 0.00 3.23 1.63 0.53 1.75 116.57 123.33 1x4q h LYS 59 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1x4q h LYS 59 Cb 0.66 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1x4q h LYS 59 CO 0.00 -0.25 0.00 -0.35 -3.45 0.00 0.00 179.45 175.40 1x4q n PRO 60 N -5.39 0.23 -0.00 1.90 -0.04 -1.26 0.11 135.00 130.54 1x4q n PRO 60 Ca -0.03 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 1x4q n PRO 60 Cb 0.35 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.06 0.54 3.72 0.15 -4.88 117.46 115.79 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 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.75 -0.45 0.00 4.37 4.77 0.55 -4.80 117.00 119.69 1x4q n LEU 62 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1x4q n LEU 62 Cb 0.29 0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1x4q n LEU 62 CO 0.26 -0.51 0.00 0.47 -1.33 0.00 0.00 177.39 176.28 1x4q n ASP 63 N -2.87 0.00 0.12 -1.43 8.00 0.29 -2.59 116.55 118.08 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 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.52 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 -0.28 -2.24 3.32 -1.93 -3.19 116.42 112.09 1x4q h ASP 64 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1x4q h ASP 64 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.36 1x4q h ASP 64 CO 0.00 0.00 -0.67 -1.20 -1.72 0.00 0.00 179.24 175.65 1x4q n SER 65 N -2.34 2.80 0.00 6.45 7.64 -1.07 -4.83 113.62 122.27 1x4q n SER 65 Ca 0.04 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.27 1x4q n SER 65 Cb 0.38 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.33 0.44 -1.04 -1.21 -2.94 114.28 108.36 1x4q n THR 66 Ca 0.27 0.30 0.26 0.00 -2.04 0.00 0.00 64.05 62.83 1x4q n THR 66 Cb 0.82 -1.11 0.50 0.00 -1.82 0.00 0.00 70.33 68.72 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 0.41 -0.21 -4.42 3.38 -1.88 0.67 115.31 113.26 1x4q h LEU 67 Ca 0.00 0.22 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1x4q h LEU 67 Cb 0.00 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1x4q h LEU 67 CO 0.00 -0.24 -0.34 -0.09 0.09 0.00 0.00 178.44 177.86 1x4q h ARG 68 N 0.21 0.60 0.00 1.13 2.43 -1.88 -2.69 114.38 114.17 1x4q h ARG 68 Ca 0.76 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1x4q h ARG 68 Cb 1.83 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 1x4q h ARG 68 CO -0.67 0.97 0.00 0.34 -1.51 0.00 0.00 179.97 179.11 1x4q n PHE 69 N -4.29 0.00 0.14 2.20 7.35 0.18 -3.39 117.46 119.66 1x4q n PHE 69 Ca -0.05 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.77 1x4q n PHE 69 Cb 0.50 -0.46 0.37 0.00 0.35 0.00 0.00 39.48 40.24 1x4q n PHE 69 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 1x4q h VAL 70 N 0.00 0.05 -0.32 -2.13 3.04 -0.29 0.65 116.25 117.25 1x4q h VAL 70 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1x4q h VAL 70 Cb 0.00 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.48 1x4q h VAL 70 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.57 175.78 1x4q h ASP 71 N 0.00 0.55 0.22 3.17 1.82 -1.49 -3.01 116.42 117.68 1x4q h ASP 71 Ca 0.17 -0.30 -0.32 0.00 -0.39 0.00 0.00 57.03 56.18 1x4q h ASP 71 Cb 1.90 -0.15 0.04 0.00 0.68 0.00 0.00 39.33 41.80 1x4q h ASP 71 CO -0.00 0.72 -1.39 0.11 -1.61 0.00 0.00 179.24 177.07 1x4q h LYS 72 N 0.36 0.56 -0.10 0.28 1.79 0.25 -3.30 116.57 116.42 1x4q h LYS 72 Ca 0.09 -0.89 0.01 0.00 -2.18 0.00 0.00 60.65 57.68 1x4q h LYS 72 Cb 0.43 0.32 -0.02 0.00 -1.58 0.00 0.00 32.23 31.39 1x4q h LYS 72 CO 0.02 1.42 -0.12 1.25 -1.08 0.00 0.00 179.45 180.94 1x4q h LEU 73 N 0.15 -0.41 -0.81 2.94 5.85 -1.38 0.46 115.31 122.12 1x4q h LEU 73 Ca -0.24 0.05 0.20 0.00 0.84 0.00 0.00 57.88 58.73 1x4q h LEU 73 Cb 2.08 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 43.14 1x4q h LEU 73 CO 0.26 -0.08 0.07 -0.26 -0.34 0.00 0.00 178.44 178.09 1x4q h PHE 74 N -0.08 0.07 0.00 1.25 -1.00 -1.69 1.12 116.94 116.60 1x4q h PHE 74 Ca 0.02 0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 1x4q h PHE 74 Cb 0.12 0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.78 1x4q h PHE 74 CO -0.65 -0.24 -0.11 0.93 -1.61 0.00 0.00 178.31 176.63 1x4q h GLU 75 N 0.13 0.00 -0.40 1.51 4.39 -1.27 -2.81 114.58 116.13 1x4q h GLU 75 Ca 0.46 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.22 1x4q h GLU 75 Cb 0.86 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.47 1x4q h GLU 75 CO -0.68 0.11 0.12 0.00 -1.16 0.00 0.00 179.01 177.40 1x4q h ALA 76 N 1.89 0.46 -1.00 3.43 0.00 0.60 -1.33 119.26 123.31 1x4q h ALA 76 Ca -0.00 0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.35 1x4q h ALA 76 Cb 0.29 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.96 1x4q h ALA 76 CO 0.01 -0.27 0.50 0.28 0.00 0.00 0.00 179.25 179.77 1x4q h VAL 77 N 0.28 0.08 0.00 0.00 2.07 -1.45 1.74 116.25 118.96 1x4q h VAL 77 Ca 0.19 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1x4q h VAL 77 Cb 0.18 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1x4q h VAL 77 CO -0.20 0.02 -0.90 -0.33 0.02 0.00 0.00 177.57 176.17 1x4q h GLU 78 N 0.08 0.00 0.17 1.57 4.39 -1.54 -2.94 114.58 116.31 1x4q h GLU 78 Ca 0.79 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.49 1x4q h GLU 78 Cb 2.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 1x4q h GLU 78 CO -0.74 0.12 -0.08 1.49 -1.16 0.00 0.00 179.01 178.64 1x4q h GLU 79 N 0.00 -0.22 -0.51 2.33 4.22 0.34 0.15 114.58 120.90 1x4q h GLU 79 Ca -0.04 0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.31 1x4q h GLU 79 Cb 1.19 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1x4q h GLU 79 CO 0.02 -0.10 -0.08 0.78 -2.18 0.00 0.00 179.01 177.45 1x4q h GLY 80 N -1.05 0.99 0.00 1.92 0.00 -0.32 -3.35 103.07 101.26 1x4q h GLY 80 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1x4q h GLY 80 CO 0.04 0.69 -0.28 3.21 0.00 0.00 0.00 176.54 180.21 1x4q h ARG 81 N 0.83 0.00 -3.34 4.80 3.08 -1.65 -3.51 114.38 114.58 1x4q h ARG 81 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1x4q h ARG 81 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1x4q h ARG 81 CO 0.04 0.00 -0.87 0.43 -1.07 0.00 0.00 179.97 178.50 1x4q n SER 82 N -4.26 -7.59 -3.65 7.04 7.64 0.52 -5.02 113.62 108.30 1x4q n SER 82 Ca -0.04 1.67 -0.03 0.00 1.01 0.00 0.00 58.87 61.49 1x4q n SER 82 Cb 0.14 -4.44 -0.07 0.00 -1.01 0.00 0.00 64.21 58.83 1x4q n SER 82 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4q s SER 83 N -5.10 -0.04 -0.30 6.43 0.01 -1.26 -5.04 113.70 108.40 1x4q s SER 83 Ca 0.00 0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.25 1x4q s SER 83 Cb 0.00 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.31 1x4q s SER 83 CO 0.00 -0.01 0.32 0.54 0.41 0.00 0.00 173.24 174.49 1x4q n ARG 84 N 1.50 -2.05 -1.24 12.44 1.74 -1.26 -4.73 116.66 123.06 1x4q n ARG 84 Ca -0.10 1.88 -0.59 0.00 -0.77 0.00 0.00 57.85 58.27 1x4q n ARG 84 Cb 0.57 -4.55 -0.12 0.00 -1.02 0.00 0.00 32.46 27.34 1x4q n ARG 84 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1x4q n HIS 85 N -0.09 1.15 0.19 -1.55 8.25 -1.26 -4.56 115.22 117.36 1x4q n HIS 85 Ca 0.06 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1x4q n HIS 85 Cb 0.24 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.11 1x4q n HIS 85 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x4q n SER 86 N 7.24 -2.30 -4.59 0.41 2.88 -1.26 -5.06 113.62 110.94 1x4q n SER 86 Ca 0.53 0.71 -0.42 0.00 -1.33 0.00 0.00 58.87 58.36 1x4q n SER 86 Cb -0.04 2.25 -0.03 0.00 -0.75 0.00 0.00 64.21 65.64 1x4q n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4q s SER 87 N -3.42 5.96 -0.65 -3.46 0.15 -1.26 -4.95 113.70 106.07 1x4q s SER 87 Ca 0.00 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1x4q s SER 87 Cb 0.00 -2.53 0.16 0.00 -1.71 0.00 0.00 66.02 61.94 1x4q s SER 87 CO 0.00 -1.73 0.45 -0.83 1.20 0.00 0.00 173.24 172.33 1x4q s GLY 88 N 5.55 2.63 0.07 9.45 0.00 -1.26 -4.93 107.32 118.83 1x4q s GLY 88 Ca 0.69 -3.43 -0.18 0.00 0.00 0.00 0.00 44.72 41.80 1x4q s GLY 88 CO 0.30 1.09 1.38 -0.56 0.00 0.00 0.00 173.10 175.31 1x4q h PRO 89 N 6.53 0.52 -5.57 2.90 0.13 -2.06 -3.43 132.00 131.03 1x4q h PRO 89 Ca 0.01 -0.27 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 1x4q h PRO 89 Cb 0.89 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 1x4q h PRO 89 CO 0.73 0.86 1.57 0.43 -0.23 0.00 0.00 178.00 181.35 1x4q n SER 90 N -4.42 1.30 -4.77 1.44 7.64 -1.26 -4.85 113.62 108.71 1x4q n SER 90 Ca -0.05 0.18 -0.40 0.00 1.01 0.00 0.00 58.87 59.62 1x4q n SER 90 Cb 0.41 -1.15 0.01 0.00 -1.01 0.00 0.00 64.21 62.47 1x4q n SER 90 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4q s SER 91 N 8.70 5.99 0.00 6.43 0.15 -1.26 -5.27 113.70 128.45 1x4q s SER 91 Ca 1.18 2.87 0.00 0.00 0.70 0.00 0.00 55.95 60.70 1x4q s SER 91 Cb -0.96 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 60.70 1x4q s SER 91 CO 0.47 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 174.43