#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 6.19 -0.30 1.61 0.15 -1.26 -4.92 113.70 115.17 1x4q s SER 2 Ca 0.00 -1.43 -0.13 0.00 0.70 0.00 0.00 55.95 55.09 1x4q s SER 2 Cb 0.00 -2.29 0.18 0.00 -1.71 0.00 0.00 66.02 62.20 1x4q s SER 2 CO 0.00 -1.06 1.09 -0.44 1.20 0.00 0.00 173.24 174.03 1x4q s SER 3 N 3.53 -0.32 -0.29 5.45 0.01 -1.26 -5.11 113.70 115.70 1x4q s SER 3 Ca 0.11 0.06 -0.28 0.00 1.31 0.00 0.00 55.95 57.15 1x4q s SER 3 Cb -0.24 1.21 -0.05 0.00 0.21 0.00 0.00 66.02 67.15 1x4q s SER 3 CO 0.06 -0.06 2.18 -0.83 0.41 0.00 0.00 173.24 175.00 1x4q s GLY 4 N 2.97 0.38 0.32 3.44 0.00 -1.26 -4.90 107.32 108.26 1x4q s GLY 4 Ca 0.23 0.53 -0.10 0.00 0.00 0.00 0.00 44.72 45.38 1x4q s GLY 4 CO -0.20 3.77 0.57 -0.45 0.00 0.00 0.00 173.10 176.79 1x4q s SER 5 N 8.63 0.29 -0.22 1.64 0.15 -1.26 -5.09 113.70 117.84 1x4q s SER 5 Ca 0.96 -1.17 -0.17 0.00 0.70 0.00 0.00 55.95 56.28 1x4q s SER 5 Cb -0.28 0.69 -0.12 0.00 -1.71 0.00 0.00 66.02 64.60 1x4q s SER 5 CO 0.33 -1.35 -0.12 -1.20 1.20 0.00 0.00 173.24 172.11 1x4q n SER 6 N -1.02 1.89 0.00 5.45 7.64 -1.26 -5.02 113.62 121.31 1x4q n SER 6 Ca -0.02 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1x4q n SER 6 Cb 0.61 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.41 2.03 1.64 0.23 0.00 -1.26 -4.93 105.19 104.31 1x4q n GLY 7 Ca -0.33 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1x4q n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4q n MET 8 N 0.00 0.34 -0.06 1.61 0.00 -1.26 -4.96 117.12 112.80 1x4q n MET 8 Ca 0.00 -1.16 -0.07 0.00 0.00 0.00 0.00 57.70 56.47 1x4q n MET 8 Cb 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 33.22 32.89 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 -2.95 1.75 -2.85 3.04 0.00 0.41 -5.01 120.51 114.91 1x4q n ALA 9 Ca -0.07 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.54 1x4q n ALA 9 Cb 0.25 0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -5.41 4.07 0.00 0.00 1.43 -1.26 -5.10 118.68 112.42 1x4q s LEU 10 Ca -0.13 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1x4q s LEU 10 Cb 0.04 -2.70 0.06 0.00 0.03 0.00 0.00 46.19 43.62 1x4q s LEU 10 CO 0.30 0.15 0.38 -0.24 0.23 0.00 0.00 176.35 177.17 1x4q n SER 11 N 0.20 0.06 0.14 2.29 2.88 -1.26 -4.84 113.62 113.09 1x4q n SER 11 Ca -0.07 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 1x4q n SER 11 Cb 0.52 -0.29 0.16 0.00 -0.75 0.00 0.00 64.21 63.85 1x4q n SER 11 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1x4q h LYS 12 N 0.00 0.00 0.13 -1.46 3.64 -2.00 -2.92 116.57 113.96 1x4q h LYS 12 Ca -0.12 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.92 1x4q h LYS 12 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1x4q h LYS 12 CO 0.09 0.60 -1.75 0.07 -2.27 0.00 0.00 179.45 176.18 1x4q h ARG 13 N 0.00 0.26 0.09 1.90 0.11 -1.99 -3.11 114.38 111.65 1x4q h ARG 13 Ca -0.01 -0.45 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1x4q h ARG 13 Cb 1.17 0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.41 1x4q h ARG 13 CO 0.08 1.13 -0.09 0.93 0.10 0.00 0.00 179.97 182.12 1x4q h GLU 14 N 0.07 -0.19 -0.25 0.08 4.39 -1.92 -2.53 114.58 114.23 1x4q h GLU 14 Ca -0.33 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.30 1x4q h GLU 14 Cb 2.05 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.72 1x4q h GLU 14 CO 0.13 -0.13 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.59 1x4q h LEU 15 N -0.20 0.44 -1.55 1.33 3.38 -1.68 -2.69 115.31 114.34 1x4q h LEU 15 Ca 0.00 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 57.94 1x4q h LEU 15 Cb 0.19 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1x4q h LEU 15 CO -0.02 0.66 0.45 -0.78 0.09 0.00 0.00 178.44 178.84 1x4q h ASP 16 N 0.41 0.45 0.77 -0.43 3.58 -1.39 0.27 116.42 120.08 1x4q h ASP 16 Ca 0.07 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1x4q h ASP 16 Cb 0.59 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1x4q h ASP 16 CO 0.04 0.26 0.00 -0.33 -2.88 0.00 0.00 179.24 176.33 1x4q h GLU 17 N 0.49 0.00 0.04 0.28 5.08 -1.12 -2.71 114.58 116.64 1x4q h GLU 17 Ca 0.32 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.37 1x4q h GLU 17 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1x4q h GLU 17 CO -0.10 0.00 -1.70 -0.07 -1.00 0.00 0.00 179.01 176.14 1x4q h LEU 18 N 0.00 0.14 -0.89 1.33 4.07 -0.57 -3.35 115.31 116.04 1x4q h LEU 18 Ca 0.00 -0.27 0.08 0.00 0.08 0.00 0.00 57.88 57.77 1x4q h LEU 18 Cb 0.39 -0.05 -0.11 0.00 1.08 0.00 0.00 40.66 41.97 1x4q h LEU 18 CO 0.00 1.24 -0.57 0.11 -1.08 0.00 0.00 178.44 178.14 1x4q h LYS 19 N 0.02 -0.06 0.00 1.13 1.57 -1.08 1.25 116.57 119.40 1x4q h LYS 19 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1x4q h LYS 19 Cb 2.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1x4q h LYS 19 CO 0.10 -0.04 0.00 -0.35 -0.57 0.00 0.00 179.45 178.58 1x4q n PRO 20 N -5.22 0.05 0.00 3.15 -0.04 -1.26 -0.93 135.00 130.75 1x4q n PRO 20 Ca 0.01 0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1x4q n PRO 20 Cb 0.27 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.68 0.60 -0.06 0.54 -0.00 0.35 -4.00 117.44 113.18 1x4q n TRP 21 Ca 0.03 0.20 -0.20 0.00 -0.00 0.00 0.00 57.50 57.52 1x4q n TRP 21 Cb 0.18 -0.94 -0.13 0.00 -0.00 0.00 0.00 31.31 30.42 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 -2.72 1.64 0.18 5.87 5.41 0.30 -3.27 119.36 126.78 1x4q n ILE 22 Ca -0.12 -0.59 0.14 0.00 1.00 0.00 0.00 62.75 63.18 1x4q n ILE 22 Cb 0.82 -1.62 0.72 0.00 -0.71 0.00 0.00 39.64 38.85 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 -0.03 0.00 0.00 0.38 5.08 -1.24 0.22 114.58 118.99 1x4q h GLU 23 Ca -0.50 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.77 1x4q h GLU 23 Cb 1.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.17 1x4q h GLU 23 CO -0.01 0.00 -1.36 0.36 -1.00 0.00 0.00 179.01 177.00 1x4q n LYS 24 N -4.28 0.62 -0.05 2.33 -0.00 -1.26 -3.96 118.16 111.57 1x4q n LYS 24 Ca 0.01 0.14 -0.15 0.00 -0.00 0.00 0.00 58.31 58.31 1x4q n LYS 24 Cb 0.27 -1.78 -0.13 0.00 -0.00 0.00 0.00 35.03 33.40 1x4q n LYS 24 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1x4q h THR 25 N 0.00 1.74 -0.56 0.58 2.02 -1.08 -3.30 112.91 112.32 1x4q h THR 25 Ca -0.10 -2.30 0.16 0.00 0.77 0.00 0.00 66.41 64.93 1x4q h THR 25 Cb 1.34 3.30 -0.02 0.00 -1.74 0.00 0.00 68.15 71.03 1x4q h THR 25 CO 0.02 0.60 0.40 0.58 0.37 0.00 0.00 175.52 177.50 1x4q h VAL 26 N -0.90 0.73 0.00 3.16 2.07 -0.84 0.39 116.25 120.86 1x4q h VAL 26 Ca -0.02 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1x4q h VAL 26 Cb 1.04 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1x4q h VAL 26 CO 0.02 0.00 -0.15 0.50 0.02 0.00 0.00 177.57 177.96 1x4q h LYS 27 N 0.02 0.00 0.05 1.57 3.64 -1.68 -1.92 116.57 118.24 1x4q h LYS 27 Ca 0.26 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.44 1x4q h LYS 27 Cb 1.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1x4q h LYS 27 CO -0.01 0.15 -1.10 -0.09 -2.27 0.00 0.00 179.45 176.13 1x4q h ARG 28 N 0.00 0.10 -0.40 1.90 2.43 -0.33 0.21 114.38 118.29 1x4q h ARG 28 Ca -0.00 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1x4q h ARG 28 Cb 0.64 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1x4q h ARG 28 CO 0.02 1.08 0.24 0.28 -1.51 0.00 0.00 179.97 180.08 1x4q h VAL 29 N -0.70 1.13 0.03 0.20 2.07 -1.35 -3.18 116.25 114.46 1x4q h VAL 29 Ca -0.27 -0.32 -0.31 0.00 0.82 0.00 0.00 66.70 66.62 1x4q h VAL 29 Cb 1.44 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1x4q h VAL 29 CO -0.06 0.14 -1.83 0.18 0.02 0.00 0.00 177.57 176.02 1x4q n LEU 30 N -4.76 1.24 0.00 2.57 4.77 -0.72 -4.98 117.00 115.11 1x4q n LEU 30 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1x4q n LEU 30 Cb 0.06 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1x4q n LEU 30 CO 0.35 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1x4q n GLY 31 N 1.68 2.26 0.00 -0.72 0.00 0.73 -4.76 105.19 104.39 1x4q n GLY 31 Ca -0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.17 1.61 1.16 -1.20 -4.86 117.46 112.00 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 -0.04 0.00 0.00 -1.61 0.00 0.00 39.48 37.83 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 -2.08 -1.91 -4.21 5.98 2.88 -1.25 -4.84 113.62 108.17 1x4q n SER 33 Ca -0.01 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.25 1x4q n SER 33 Cb 0.53 0.29 -0.16 0.00 -0.75 0.00 0.00 64.21 64.12 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 -3.68 1.87 0.01 -1.46 2.56 -1.26 -4.94 118.70 111.81 1x4q s GLU 34 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 54.97 53.99 1x4q s GLU 34 Cb 0.00 -1.72 -0.17 0.00 2.00 0.00 0.00 34.13 34.24 1x4q s GLU 34 CO 0.00 0.40 1.31 -1.00 -0.56 0.00 0.00 175.26 175.41 1x4q h PRO 35 N 5.83 0.20 -0.45 4.30 0.13 -2.00 -2.75 132.00 137.27 1x4q h PRO 35 Ca -0.37 -0.11 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1x4q h PRO 35 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1x4q h PRO 35 CO 0.48 0.64 0.31 0.00 -0.23 0.00 0.00 178.00 179.19 1x4q h THR 36 N -0.22 0.91 -0.02 1.56 1.03 -1.99 -2.34 112.91 111.84 1x4q h THR 36 Ca 0.01 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.31 1x4q h THR 36 Cb 0.60 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1x4q h THR 36 CO 0.02 0.05 -0.03 0.58 -0.01 0.00 0.00 175.52 176.13 1x4q h VAL 37 N 0.27 1.44 -1.03 0.00 2.07 -1.88 -2.66 116.25 114.46 1x4q h VAL 37 Ca 0.20 -1.34 0.31 0.00 0.82 0.00 0.00 66.70 66.69 1x4q h VAL 37 Cb 0.46 2.30 -0.14 0.00 -1.52 0.00 0.00 31.29 32.39 1x4q h VAL 37 CO -0.04 0.35 0.60 0.58 0.02 0.00 0.00 177.57 179.08 1x4q h VAL 38 N -0.49 0.35 0.01 2.57 2.07 -1.11 -0.06 116.25 119.59 1x4q h VAL 38 Ca 0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1x4q h VAL 38 Cb 0.59 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1x4q h VAL 38 CO 0.01 0.07 -0.00 0.74 0.02 0.00 0.00 177.57 178.40 1x4q h THR 39 N 0.37 1.49 -0.07 2.57 2.02 -1.52 -2.46 112.91 115.31 1x4q h THR 39 Ca 0.71 -1.53 0.02 0.00 0.77 0.00 0.00 66.41 66.39 1x4q h THR 39 Cb 1.63 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 70.55 1x4q h THR 39 CO -0.55 0.39 0.51 0.00 0.37 0.00 0.00 175.52 176.24 1x4q h ALA 40 N 0.30 1.59 0.00 6.16 0.00 -0.67 -0.64 119.26 126.00 1x4q h ALA 40 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1x4q h ALA 40 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1x4q h ALA 40 CO 0.00 -0.54 -1.24 0.00 0.00 0.00 0.00 179.25 177.47 1x4q n ALA 41 N -1.86 0.76 -0.22 0.00 0.00 -0.75 -3.38 120.51 115.07 1x4q n ALA 41 Ca -0.00 -0.52 0.15 0.00 0.00 0.00 0.00 53.44 53.07 1x4q n ALA 41 Cb 0.56 -0.43 0.46 0.00 0.00 0.00 0.00 19.45 20.04 1x4q n ALA 41 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x4q h LEU 42 N -1.00 0.50 -0.16 0.00 3.38 -0.70 -1.06 115.31 116.27 1x4q h LEU 42 Ca -0.32 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1x4q h LEU 42 Cb 1.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1x4q h LEU 42 CO -0.19 0.24 -0.44 -1.13 0.09 0.00 0.00 178.44 177.01 1x4q h ASN 43 N 0.52 0.66 0.00 -0.43 -0.73 -1.35 -2.48 115.58 111.77 1x4q h ASN 43 Ca 0.42 -0.59 0.00 0.00 1.87 0.00 0.00 56.30 58.01 1x4q h ASN 43 Cb 0.87 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1x4q h ASN 43 CO -0.17 1.13 0.00 0.00 -0.37 0.00 0.00 177.43 178.02 1x4q h VAL 45 N 0.00 0.73 -0.29 0.00 -1.51 -1.63 0.66 116.25 114.21 1x4q h VAL 45 Ca 0.00 -0.16 -0.10 0.00 -1.23 0.00 0.00 66.70 65.21 1x4q h VAL 45 Cb 0.00 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.35 1x4q h VAL 45 CO 0.00 0.09 -0.24 1.23 -1.23 0.00 0.00 177.57 177.42 1x4q h GLY 46 N 0.48 0.60 -2.98 5.19 0.00 -0.93 -2.63 103.07 102.80 1x4q h GLY 46 Ca 0.46 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1x4q h GLY 46 CO -0.18 0.45 0.16 1.17 0.00 0.00 0.00 176.54 178.13 1x4q n LYS 47 N -4.12 3.05 -1.02 4.80 0.00 0.21 -0.45 118.16 120.64 1x4q n LYS 47 Ca -0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 58.31 56.10 1x4q n LYS 47 Cb 0.41 -1.95 -0.03 0.00 0.00 0.00 0.00 35.03 33.46 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 0.06 0.65 3.23 3.14 0.00 -0.96 -4.87 105.19 106.44 1x4q n GLY 48 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.86 -0.36 -4.21 1.61 2.81 -0.60 -4.99 117.12 110.52 1x4q n MET 49 Ca -0.07 -0.08 -0.28 0.00 -1.81 0.00 0.00 57.70 55.46 1x4q n MET 49 Cb 0.33 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.58 4.65 0.37 7.83 1.01 -1.26 -4.81 116.67 122.88 1x4q s ASP 50 Ca 0.50 -0.38 0.21 0.00 0.71 0.00 0.00 52.55 53.58 1x4q s ASP 50 Cb -0.16 -0.96 1.34 0.00 1.01 0.00 0.00 42.92 44.15 1x4q s ASP 50 CO 0.72 0.13 1.58 0.11 0.21 0.00 0.00 175.17 177.92 1x4q h LYS 51 N 3.08 0.01 0.84 8.23 1.57 -1.97 0.41 116.57 128.74 1x4q h LYS 51 Ca -0.48 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1x4q h LYS 51 Cb 1.19 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 1x4q h LYS 51 CO 0.56 0.01 -0.40 0.87 -0.57 0.00 0.00 179.45 179.92 1x4q h LYS 52 N 0.01 -1.09 0.90 3.15 1.57 -2.00 -1.86 116.57 117.26 1x4q h LYS 52 Ca 0.85 0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.66 1x4q h LYS 52 Cb 2.23 0.25 0.01 0.00 0.08 0.00 0.00 32.23 34.79 1x4q h LYS 52 CO -0.76 -0.72 -0.43 0.87 -0.57 0.00 0.00 179.45 177.83 1x4q h LYS 53 N -1.23 -1.16 -0.97 3.15 1.57 -1.20 -2.86 116.57 113.87 1x4q h LYS 53 Ca -0.12 0.08 0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1x4q h LYS 53 Cb 0.86 0.26 -0.14 0.00 0.08 0.00 0.00 32.23 33.29 1x4q h LYS 53 CO 0.19 -0.77 -0.45 0.00 -0.57 0.00 0.00 179.45 177.84 1x4q h ALA 54 N -1.14 -0.09 -0.31 3.86 0.00 -0.42 0.30 119.26 121.46 1x4q h ALA 54 Ca -0.12 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1x4q h ALA 54 Cb 0.93 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.76 1x4q h ALA 54 CO 0.20 -0.74 -0.46 0.00 0.00 0.00 0.00 179.25 178.25 1x4q h ALA 55 N 1.06 -0.59 -0.90 0.00 0.00 -1.28 0.25 119.26 117.81 1x4q h ALA 55 Ca 0.28 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.43 1x4q h ALA 55 Cb 0.54 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1x4q h ALA 55 CO -0.96 -0.94 0.61 0.22 0.00 0.00 0.00 179.25 178.18 1x4q h ASP 56 N -0.41 0.30 0.73 0.00 3.58 -0.76 0.51 116.42 120.36 1x4q h ASP 56 Ca 0.10 0.03 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 1x4q h ASP 56 Cb 0.61 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1x4q h ASP 56 CO -0.52 0.11 -0.71 -0.74 -2.88 0.00 0.00 179.24 174.50 1x4q h HIS 57 N 0.29 0.00 -0.01 0.28 2.76 0.64 -3.01 115.15 116.11 1x4q h HIS 57 Ca 0.46 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.63 1x4q h HIS 57 Cb 1.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.28 1x4q h HIS 57 CO -0.00 0.71 -0.21 1.28 -1.30 0.00 0.00 177.93 178.41 1x4q n LEU 58 N -3.68 1.54 0.35 0.26 4.77 0.14 -4.36 117.00 116.01 1x4q n LEU 58 Ca -0.01 -0.49 -0.19 0.00 -0.03 0.00 0.00 56.01 55.29 1x4q n LEU 58 Cb 0.70 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.64 1x4q n LEU 58 CO 0.43 0.27 0.55 0.50 -1.33 0.00 0.00 177.39 177.82 1x4q h LYS 59 N 2.08 -1.02 0.00 3.23 1.63 -0.17 1.92 116.57 124.24 1x4q h LYS 59 Ca 0.00 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1x4q h LYS 59 Cb 0.60 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1x4q h LYS 59 CO 0.00 -0.68 0.00 -0.35 -3.45 0.00 0.00 179.45 174.97 1x4q n PRO 60 N -5.58 0.24 -0.00 1.90 -0.04 -1.26 0.14 135.00 130.40 1x4q n PRO 60 Ca -0.13 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1x4q n PRO 60 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.25 0.00 0.00 0.54 3.72 -0.71 -4.88 117.46 114.87 1x4q n PHE 61 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1x4q n PHE 61 Cb 0.11 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.52 0.00 0.00 4.37 4.77 0.64 -4.86 117.00 120.40 1x4q n LEU 62 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1x4q n LEU 62 Cb 0.18 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1x4q n LEU 62 CO 0.17 -0.44 0.00 0.47 -1.33 0.00 0.00 177.39 176.26 1x4q n ASP 63 N -2.38 0.00 0.10 -1.43 8.00 0.37 -1.62 116.55 119.59 1x4q n ASP 63 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1x4q n ASP 63 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 1x4q n ASP 63 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x4q n ASP 64 N 1.15 0.57 -0.66 -2.24 -0.08 -1.26 -2.65 116.55 111.37 1x4q n ASP 64 Ca 0.00 0.62 0.06 0.00 -1.51 0.00 0.00 54.79 53.96 1x4q n ASP 64 Cb 0.00 -0.75 0.20 0.00 2.34 0.00 0.00 41.12 42.91 1x4q n ASP 64 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1x4q n SER 65 N -2.11 1.71 0.00 1.67 7.64 -0.64 -4.79 113.62 117.10 1x4q n SER 65 Ca 0.03 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 56.10 1x4q n SER 65 Cb 0.25 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.03 0.00 -0.36 0.44 -1.04 -1.09 -2.88 114.28 108.33 1x4q n THR 66 Ca 0.19 0.39 0.33 0.00 -2.04 0.00 0.00 64.05 62.92 1x4q n THR 66 Cb 0.72 -1.31 0.67 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.16 0.13 -4.42 3.38 -1.88 0.46 115.31 113.14 1x4q h LEU 67 Ca 0.00 0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 1x4q h LEU 67 Cb 0.00 0.02 0.03 0.00 0.09 0.00 0.00 40.66 40.79 1x4q h LEU 67 CO 0.00 0.01 -1.07 -0.09 0.09 0.00 0.00 178.44 177.37 1x4q h ARG 68 N 0.13 0.50 0.06 1.13 2.43 -1.87 -3.11 114.38 113.66 1x4q h ARG 68 Ca 0.63 -0.71 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1x4q h ARG 68 Cb 2.16 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.96 1x4q h ARG 68 CO -0.14 1.31 -0.03 0.35 -1.51 0.00 0.00 179.97 179.95 1x4q h PHE 69 N 0.04 -0.08 -1.67 2.20 3.04 -0.28 -3.26 116.94 116.93 1x4q h PHE 69 Ca -0.17 -0.00 0.49 0.00 3.98 0.00 0.00 57.97 62.27 1x4q h PHE 69 Cb 1.79 0.03 -0.08 0.00 2.56 0.00 0.00 35.95 40.25 1x4q h PHE 69 CO 0.14 -0.05 1.19 -0.24 -2.02 0.00 0.00 178.31 177.33 1x4q h VAL 70 N -0.20 0.14 -0.58 1.41 3.04 -0.51 0.79 116.25 120.34 1x4q h VAL 70 Ca -0.01 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1x4q h VAL 70 Cb 0.07 0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 29.44 1x4q h VAL 70 CO 0.01 0.00 0.38 -0.78 -1.01 0.00 0.00 177.57 176.18 1x4q h ASP 71 N 0.01 0.67 0.23 3.17 1.82 -1.59 -2.53 116.42 118.20 1x4q h ASP 71 Ca 0.82 -0.02 -0.26 0.00 -0.39 0.00 0.00 57.03 57.17 1x4q h ASP 71 Cb 3.18 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 43.04 1x4q h ASP 71 CO -0.06 0.49 -1.07 0.11 -1.61 0.00 0.00 179.24 177.10 1x4q h LYS 72 N 0.79 0.53 -0.00 0.28 1.79 0.52 -3.29 116.57 117.18 1x4q h LYS 72 Ca 0.21 -0.62 0.01 0.00 -2.18 0.00 0.00 60.65 58.07 1x4q h LYS 72 Cb -0.08 0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 1x4q h LYS 72 CO -0.05 1.24 -0.33 1.25 -1.08 0.00 0.00 179.45 180.49 1x4q h LEU 73 N 0.27 -1.02 -0.74 2.94 5.85 -1.09 0.20 115.31 121.73 1x4q h LEU 73 Ca -0.12 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1x4q h LEU 73 Cb 1.73 0.39 -0.14 0.00 0.37 0.00 0.00 40.66 43.01 1x4q h LEU 73 CO 0.20 -0.32 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.54 1x4q h PHE 74 N -0.41 -0.37 0.00 1.25 -1.00 -1.60 1.16 116.94 115.97 1x4q h PHE 74 Ca 0.01 0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 1x4q h PHE 74 Cb 0.44 0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 1x4q h PHE 74 CO -0.46 -0.31 -0.06 0.93 -1.61 0.00 0.00 178.31 176.80 1x4q h GLU 75 N 0.01 0.00 -0.52 1.51 4.39 -1.46 -2.70 114.58 115.81 1x4q h GLU 75 Ca 0.36 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.09 1x4q h GLU 75 Cb 0.55 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1x4q h GLU 75 CO -0.75 0.06 0.30 0.00 -1.16 0.00 0.00 179.01 177.45 1x4q h ALA 76 N 1.94 0.67 -0.99 3.43 0.00 0.46 -0.30 119.26 124.47 1x4q h ALA 76 Ca -0.00 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.21 1x4q h ALA 76 Cb 0.23 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 17.76 1x4q h ALA 76 CO 0.01 -0.02 0.54 0.28 0.00 0.00 0.00 179.25 180.06 1x4q h VAL 77 N 0.58 0.35 0.00 0.00 2.07 -1.40 0.96 116.25 118.82 1x4q h VAL 77 Ca 0.22 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1x4q h VAL 77 Cb 0.07 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1x4q h VAL 77 CO -0.12 0.07 -0.83 -0.33 0.02 0.00 0.00 177.57 176.38 1x4q h GLU 78 N 0.37 0.00 0.00 1.57 4.39 -1.56 -3.14 114.58 116.21 1x4q h GLU 78 Ca 0.70 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.40 1x4q h GLU 78 Cb 1.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1x4q h GLU 78 CO -0.58 0.00 -0.07 1.49 -1.16 0.00 0.00 179.01 178.68 1x4q h GLU 79 N 0.00 0.00 -0.50 2.33 4.57 0.24 -1.91 114.58 119.30 1x4q h GLU 79 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x4q h GLU 79 Cb 0.88 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 1x4q h GLU 79 CO 0.00 0.00 0.30 0.78 -1.18 0.00 0.00 179.01 178.91 1x4q h GLY 80 N -0.64 0.73 0.18 1.92 0.00 -0.11 -3.29 103.07 101.87 1x4q h GLY 80 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1x4q h GLY 80 CO 0.00 0.30 -0.08 3.21 0.00 0.00 0.00 176.54 179.96 1x4q h ARG 81 N 0.67 -0.22 0.00 4.80 3.08 -1.66 -3.47 114.38 117.58 1x4q h ARG 81 Ca 0.18 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1x4q h ARG 81 Cb -0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1x4q h ARG 81 CO -0.03 -0.10 0.00 0.45 -1.07 0.00 0.00 179.97 179.22 1x4q n SER 82 N -4.93 0.00 -0.10 7.04 2.88 -0.72 -4.87 113.62 112.92 1x4q n SER 82 Ca -0.03 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.51 1x4q n SER 82 Cb 0.11 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1x4q n SER 82 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4q n SER 83 N 3.15 -0.55 -4.54 -3.46 2.88 -1.26 -4.81 113.62 105.02 1x4q n SER 83 Ca 0.00 0.11 -0.43 0.00 -1.33 0.00 0.00 58.87 57.22 1x4q n SER 83 Cb 0.00 0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.51 1x4q n SER 83 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x4q s ARG 84 N -3.56 3.43 -0.29 -1.46 6.06 -1.26 -4.98 118.95 116.89 1x4q s ARG 84 Ca 0.00 -0.04 -0.04 0.00 -2.50 0.00 0.00 55.73 53.15 1x4q s ARG 84 Cb 0.00 -3.99 0.10 0.00 0.06 0.00 0.00 34.95 31.12 1x4q s ARG 84 CO 0.00 -1.38 0.14 -1.58 -2.50 0.00 0.00 175.30 169.98 1x4q s HIS 85 N 3.92 0.30 0.00 5.12 2.46 -1.26 -4.90 115.29 120.92 1x4q s HIS 85 Ca 0.34 -0.88 0.00 0.00 0.47 0.00 0.00 55.06 54.99 1x4q s HIS 85 Cb -0.11 -0.88 0.00 0.00 -0.13 0.00 0.00 32.58 31.46 1x4q s HIS 85 CO 0.23 -0.83 0.00 0.45 -2.47 0.00 0.00 174.74 172.11 1x4q n SER 86 N 5.20 0.00 -2.37 9.88 2.88 -1.26 -4.96 113.62 122.99 1x4q n SER 86 Ca -0.05 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.14 1x4q n SER 86 Cb 0.42 0.10 0.07 0.00 -0.75 0.00 0.00 64.21 64.06 1x4q n SER 86 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4q n SER 87 N -1.52 7.56 -1.26 -3.46 2.88 -1.26 -5.04 113.62 111.51 1x4q n SER 87 Ca 0.00 -3.79 0.17 0.00 -1.33 0.00 0.00 58.87 53.91 1x4q n SER 87 Cb 0.00 -0.96 -0.05 0.00 -0.75 0.00 0.00 64.21 62.45 1x4q n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4q n GLY 88 N -0.87 -2.26 0.24 0.46 0.00 -1.26 -4.44 105.19 97.06 1x4q n GLY 88 Ca 0.61 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1x4q n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4q h PRO 89 N -1.19 0.72 0.00 1.61 0.13 -1.96 -3.46 132.00 127.85 1x4q h PRO 89 Ca -0.03 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1x4q h PRO 89 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x4q h PRO 89 CO 0.03 1.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.22 1x4q n SER 90 N -4.04 0.00 -4.53 1.44 7.64 -1.26 -5.11 113.62 107.77 1x4q n SER 90 Ca -0.02 0.00 -0.59 0.00 1.01 0.00 0.00 58.87 59.27 1x4q n SER 90 Cb 0.54 0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.74 1x4q n SER 90 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4q n SER 91 N -1.65 1.60 0.00 6.43 2.88 -1.26 -5.19 113.62 116.43 1x4q n SER 91 Ca 0.00 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1x4q n SER 91 Cb 0.00 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42