#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 5.63 -0.19 1.61 0.01 -1.26 -3.95 113.70 115.55 1x4q s SER 2 Ca 0.00 1.80 -0.05 0.00 1.31 0.00 0.00 55.95 59.02 1x4q s SER 2 Cb 0.00 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.73 1x4q s SER 2 CO 0.00 -1.83 0.09 -1.20 0.41 0.00 0.00 173.24 170.71 1x4q n SER 3 N 11.05 -4.98 -3.76 2.44 7.64 -1.26 -4.56 113.62 120.19 1x4q n SER 3 Ca 0.27 1.22 -0.46 0.00 1.01 0.00 0.00 58.87 60.91 1x4q n SER 3 Cb 0.45 -4.37 -0.11 0.00 -1.01 0.00 0.00 64.21 59.16 1x4q n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 4 N 1.38 -0.23 3.65 0.23 0.00 -1.25 -4.77 105.19 104.19 1x4q n GLY 4 Ca -0.16 0.98 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 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 6.09 6.45 0.20 1.61 0.15 -1.26 -4.89 113.70 122.05 1x4q s SER 5 Ca 1.09 2.09 -0.16 0.00 0.70 0.00 0.00 55.95 59.67 1x4q s SER 5 Cb -1.23 -2.53 0.19 0.00 -1.71 0.00 0.00 66.02 60.73 1x4q s SER 5 CO 0.52 -1.13 1.62 -1.28 1.20 0.00 0.00 173.24 174.17 1x4q h SER 6 N 10.50 -0.73 0.00 5.45 0.87 -2.00 -3.41 113.55 124.22 1x4q h SER 6 Ca -0.39 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1x4q h SER 6 Cb 1.18 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1x4q h SER 6 CO 0.97 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 1x4q n GLY 7 N -1.42 0.36 0.23 5.77 0.00 -1.26 -5.09 105.19 103.77 1x4q n GLY 7 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.71 0.00 -1.87 1.61 0.00 -1.26 -4.92 117.12 109.96 1x4q n MET 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1x4q n MET 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 -2.99 -2.14 -2.79 -5.12 0.00 -1.25 -4.97 120.51 101.24 1x4q n ALA 9 Ca 0.00 0.43 -0.26 0.00 0.00 0.00 0.00 53.44 53.61 1x4q n ALA 9 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.64 4.22 0.67 0.00 1.43 -1.26 -5.04 118.68 118.06 1x4q s LEU 10 Ca 0.00 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 1x4q s LEU 10 Cb 0.00 -3.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 1x4q s LEU 10 CO 0.00 -0.07 1.06 -0.44 0.23 0.00 0.00 176.35 177.13 1x4q s SER 11 N -3.37 5.75 0.28 2.29 0.01 -1.26 -4.77 113.70 112.63 1x4q s SER 11 Ca 0.38 1.39 0.02 0.00 1.31 0.00 0.00 55.95 59.05 1x4q s SER 11 Cb -0.11 -2.33 0.67 0.00 0.21 0.00 0.00 66.02 64.46 1x4q s SER 11 CO 0.30 -1.17 1.70 0.50 0.41 0.00 0.00 173.24 174.97 1x4q h LYS 12 N -0.53 0.39 -0.21 12.44 1.63 -1.99 0.24 116.57 128.53 1x4q h LYS 12 Ca -0.44 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.19 1x4q h LYS 12 Cb 1.21 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 1x4q h LYS 12 CO 0.61 0.26 -0.48 0.07 -3.45 0.00 0.00 179.45 176.46 1x4q h ARG 13 N 0.40 0.56 0.61 1.90 0.11 -1.99 -2.29 114.38 113.68 1x4q h ARG 13 Ca 0.53 -0.32 -0.03 0.00 0.10 0.00 0.00 59.98 60.26 1x4q h ARG 13 Cb 0.97 0.02 0.01 0.00 1.11 0.00 0.00 29.97 32.08 1x4q h ARG 13 CO -0.51 0.92 -0.29 0.93 0.10 0.00 0.00 179.97 181.11 1x4q h GLU 14 N 0.45 -0.79 -0.03 0.08 5.08 -0.93 -2.63 114.58 115.80 1x4q h GLU 14 Ca 0.02 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1x4q h GLU 14 Cb 1.00 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1x4q h GLU 14 CO 0.09 -0.52 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.44 1x4q h LEU 15 N -0.85 0.04 -1.09 1.33 3.38 -1.23 -2.14 115.31 114.76 1x4q h LEU 15 Ca -0.08 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1x4q h LEU 15 Cb 0.64 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1x4q h LEU 15 CO 0.14 0.12 0.62 -0.78 0.09 0.00 0.00 178.44 178.63 1x4q h ASP 16 N 0.05 1.03 0.90 -0.43 3.58 -1.06 -0.41 116.42 120.08 1x4q h ASP 16 Ca 0.01 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1x4q h ASP 16 Cb 0.16 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1x4q h ASP 16 CO 0.01 0.72 -0.19 -0.33 -2.88 0.00 0.00 179.24 176.57 1x4q h GLU 17 N 1.20 0.00 0.23 0.28 4.39 -1.07 -3.07 114.58 116.54 1x4q h GLU 17 Ca 0.36 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.73 1x4q h GLU 17 Cb -0.03 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1x4q h GLU 17 CO -0.10 0.19 -1.49 -0.07 -1.16 0.00 0.00 179.01 176.38 1x4q h LEU 18 N 0.00 0.77 -0.93 1.33 -0.00 -1.08 -3.26 115.31 112.14 1x4q h LEU 18 Ca -0.00 -0.86 0.08 0.00 -0.00 0.00 0.00 57.88 57.10 1x4q h LEU 18 Cb 0.69 -0.25 -0.11 0.00 -0.00 0.00 0.00 40.66 40.99 1x4q h LEU 18 CO 0.02 1.68 -0.55 0.29 -0.00 0.00 0.00 178.44 179.88 1x4q n LYS 19 N -3.68 -0.41 0.07 1.13 5.02 -0.34 0.14 118.16 120.11 1x4q n LYS 19 Ca -0.17 1.47 0.10 0.00 -2.02 0.00 0.00 58.31 57.69 1x4q n LYS 19 Cb 1.09 -2.17 0.41 0.00 -0.02 0.00 0.00 35.03 34.35 1x4q n LYS 19 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1x4q n PRO 20 N -5.09 0.11 0.03 1.97 -0.04 -1.26 -1.30 135.00 129.42 1x4q n PRO 20 Ca 0.02 0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.85 1x4q n PRO 20 Cb 0.24 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.92 0.83 -0.04 0.54 -0.00 0.38 -3.97 117.44 113.26 1x4q n TRP 21 Ca 0.03 0.27 -0.21 0.00 -0.00 0.00 0.00 57.50 57.58 1x4q n TRP 21 Cb 0.20 -1.01 -0.13 0.00 -0.00 0.00 0.00 31.31 30.37 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 -2.78 1.69 0.07 5.87 5.41 0.29 -3.20 119.36 126.71 1x4q n ILE 22 Ca -0.09 -0.56 0.18 0.00 1.00 0.00 0.00 62.75 63.28 1x4q n ILE 22 Cb 0.78 -1.72 0.70 0.00 -0.71 0.00 0.00 39.64 38.69 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 -0.11 0.00 0.06 0.38 5.08 -1.39 0.11 114.58 118.71 1x4q h GLU 23 Ca -0.46 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.71 1x4q h GLU 23 Cb 1.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 1x4q h GLU 23 CO -0.00 0.00 -1.00 1.57 -1.00 0.00 0.00 179.01 178.58 1x4q h LYS 24 N 0.00 0.13 0.55 2.33 2.10 -1.72 -3.34 116.57 116.62 1x4q h LYS 24 Ca 0.18 -0.22 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1x4q h LYS 24 Cb 0.77 0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1x4q h LYS 24 CO -0.00 1.11 -0.30 1.15 -2.00 0.00 0.00 179.45 179.40 1x4q h THR 25 N -0.65 0.38 -1.33 0.07 2.02 -1.37 -2.30 112.91 109.72 1x4q h THR 25 Ca -0.23 0.00 0.41 0.00 0.77 0.00 0.00 66.41 67.35 1x4q h THR 25 Cb 1.46 0.38 -0.10 0.00 -1.74 0.00 0.00 68.15 68.14 1x4q h THR 25 CO -0.02 0.00 0.89 0.58 0.37 0.00 0.00 175.52 177.34 1x4q h VAL 26 N -0.79 0.23 -0.29 3.16 2.07 -1.00 1.32 116.25 120.95 1x4q h VAL 26 Ca -0.07 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1x4q h VAL 26 Cb 0.63 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1x4q h VAL 26 CO 0.09 0.02 -0.26 0.50 0.02 0.00 0.00 177.57 177.94 1x4q h LYS 27 N 0.12 0.56 0.22 1.57 3.64 -1.53 -0.99 116.57 120.16 1x4q h LYS 27 Ca 0.76 -0.23 -0.32 0.00 -1.27 0.00 0.00 60.65 59.59 1x4q h LYS 27 Cb 2.47 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 34.30 1x4q h LYS 27 CO -0.29 0.78 -1.41 -0.09 -2.27 0.00 0.00 179.45 176.17 1x4q h ARG 28 N 0.49 0.50 -0.40 1.90 2.43 0.17 1.50 114.38 120.98 1x4q h ARG 28 Ca 0.07 -0.83 -0.05 0.00 -0.81 0.00 0.00 59.98 58.36 1x4q h ARG 28 Cb 0.72 0.30 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1x4q h ARG 28 CO 0.05 1.39 0.06 0.28 -1.51 0.00 0.00 179.97 180.25 1x4q h VAL 29 N 0.15 1.24 0.00 0.20 2.07 -0.78 -3.27 116.25 115.86 1x4q h VAL 29 Ca -0.22 -0.87 -0.33 0.00 0.82 0.00 0.00 66.70 66.09 1x4q h VAL 29 Cb 2.10 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 1x4q h VAL 29 CO 0.26 0.30 -2.12 0.18 0.02 0.00 0.00 177.57 176.21 1x4q n LEU 30 N -4.52 0.33 0.00 2.57 4.77 -0.38 -4.99 117.00 114.77 1x4q n LEU 30 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1x4q n LEU 30 Cb 0.24 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1x4q n LEU 30 CO 0.39 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1x4q n GLY 31 N 1.66 1.53 0.00 -0.72 0.00 0.51 -4.76 105.19 103.41 1x4q n GLY 31 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.31 1.61 1.16 -1.13 -4.87 117.46 110.93 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 -1.35 -4.79 -4.62 5.98 2.88 -1.25 -4.84 113.62 105.62 1x4q n SER 33 Ca 0.00 0.62 -0.34 0.00 -1.33 0.00 0.00 58.87 57.82 1x4q n SER 33 Cb 0.17 -2.59 -0.10 0.00 -0.75 0.00 0.00 64.21 60.93 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 -1.79 3.19 -0.02 -1.46 2.12 -1.26 -4.91 118.70 114.57 1x4q s GLU 34 Ca 0.00 -0.45 -0.26 0.00 0.36 0.00 0.00 54.97 54.63 1x4q s GLU 34 Cb 0.00 -2.82 -0.20 0.00 0.26 0.00 0.00 34.13 31.36 1x4q s GLU 34 CO 0.00 0.56 1.27 -1.00 -0.54 0.00 0.00 175.26 175.55 1x4q h PRO 35 N 5.65 0.02 -0.71 4.30 0.13 -2.00 -2.81 132.00 136.58 1x4q h PRO 35 Ca -0.45 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 1x4q h PRO 35 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1x4q h PRO 35 CO 0.57 0.50 0.48 0.00 -0.23 0.00 0.00 178.00 179.32 1x4q h THR 36 N -0.46 0.83 -0.07 1.56 1.03 -1.98 -1.90 112.91 111.91 1x4q h THR 36 Ca 0.00 -0.15 -0.02 0.00 -0.01 0.00 0.00 66.41 66.23 1x4q h THR 36 Cb 0.49 0.37 -0.00 0.00 -1.07 0.00 0.00 68.15 67.94 1x4q h THR 36 CO 0.00 0.08 -0.05 0.58 -0.01 0.00 0.00 175.52 176.12 1x4q h VAL 37 N 0.42 1.35 -0.77 0.00 2.07 -1.88 -2.03 116.25 115.42 1x4q h VAL 37 Ca 0.34 -1.14 0.17 0.00 0.82 0.00 0.00 66.70 66.89 1x4q h VAL 37 Cb 0.75 1.96 -0.14 0.00 -1.52 0.00 0.00 31.29 32.34 1x4q h VAL 37 CO -0.11 0.32 -0.05 0.58 0.02 0.00 0.00 177.57 178.33 1x4q h VAL 38 N -0.25 0.29 -0.22 2.57 2.07 -1.07 0.16 116.25 119.80 1x4q h VAL 38 Ca 0.01 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1x4q h VAL 38 Cb 0.53 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1x4q h VAL 38 CO 0.01 0.01 -0.26 0.74 0.02 0.00 0.00 177.57 178.09 1x4q h THR 39 N 0.07 1.33 0.00 2.57 2.02 -1.53 -1.67 112.91 115.69 1x4q h THR 39 Ca 0.41 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1x4q h THR 39 Cb 0.71 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1x4q h THR 39 CO -0.71 0.45 0.01 0.00 0.37 0.00 0.00 175.52 175.63 1x4q h ALA 40 N 0.64 1.01 0.07 6.16 0.00 -0.27 -1.67 119.26 125.20 1x4q h ALA 40 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1x4q h ALA 40 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1x4q h ALA 40 CO 0.06 -0.01 -1.86 0.00 0.00 0.00 0.00 179.25 177.44 1x4q n ALA 41 N -2.05 0.93 0.04 0.00 0.00 0.37 -3.60 120.51 116.20 1x4q n ALA 41 Ca -0.03 -0.65 0.05 0.00 0.00 0.00 0.00 53.44 52.81 1x4q n ALA 41 Cb 0.08 -0.53 0.46 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.34 0.39 -0.16 0.00 3.38 -0.76 -2.44 115.31 115.39 1x4q h LEU 42 Ca -0.44 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1x4q h LEU 42 Cb 1.77 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1x4q h LEU 42 CO -0.06 0.28 -0.30 -1.13 0.09 0.00 0.00 178.44 177.33 1x4q h ASN 43 N 0.46 0.53 0.01 -0.43 -0.73 -1.49 -2.66 115.58 111.28 1x4q h ASN 43 Ca 0.12 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 57.75 1x4q h ASN 43 Cb -0.05 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 1x4q h ASN 43 CO -0.03 0.98 -0.11 0.00 -0.37 0.00 0.00 177.43 177.91 1x4q h VAL 45 N -0.14 0.52 0.00 0.00 -1.51 -1.64 0.12 116.25 113.61 1x4q h VAL 45 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.29 1x4q h VAL 45 Cb 0.15 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 1x4q h VAL 45 CO -0.06 0.00 -0.86 1.23 -1.23 0.00 0.00 177.57 176.65 1x4q h GLY 46 N 0.00 0.03 -3.07 5.19 0.00 -0.81 -3.16 103.07 101.25 1x4q h GLY 46 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1x4q h GLY 46 CO -0.00 0.06 0.03 1.17 0.00 0.00 0.00 176.54 177.80 1x4q n LYS 47 N -3.55 3.99 -1.13 4.80 0.00 0.16 -3.92 118.16 118.52 1x4q n LYS 47 Ca -0.01 -2.51 -0.09 0.00 0.00 0.00 0.00 58.31 55.71 1x4q n LYS 47 Cb 0.82 -2.11 -0.04 0.00 0.00 0.00 0.00 35.03 33.70 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 0.42 0.82 3.34 3.14 0.00 -0.99 -4.84 105.19 107.08 1x4q n GLY 48 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.81 0.13 -3.97 1.61 2.81 -0.81 -4.71 117.12 111.36 1x4q n MET 49 Ca -0.09 0.07 -0.30 0.00 -1.81 0.00 0.00 57.70 55.57 1x4q n MET 49 Cb 0.44 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.36 6.04 0.40 7.83 1.01 -1.26 -4.79 116.67 124.54 1x4q s ASP 50 Ca 0.59 0.15 0.28 0.00 0.71 0.00 0.00 52.55 54.28 1x4q s ASP 50 Cb -0.33 -1.77 1.40 0.00 1.01 0.00 0.00 42.92 43.23 1x4q s ASP 50 CO 0.65 0.16 1.53 0.29 0.21 0.00 0.00 175.17 178.01 1x4q n LYS 51 N 0.29 -0.04 -0.05 8.23 5.02 -1.26 0.13 118.16 130.47 1x4q n LYS 51 Ca -0.06 1.27 -0.13 0.00 -2.02 0.00 0.00 58.31 57.36 1x4q n LYS 51 Cb 0.51 -2.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.04 1x4q n LYS 51 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1x4q h LYS 52 N 0.00 0.30 0.46 1.97 1.57 -2.01 -3.01 116.57 115.85 1x4q h LYS 52 Ca 0.85 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 59.45 1x4q h LYS 52 Cb 2.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.87 1x4q h LYS 52 CO -0.56 0.69 -0.22 0.87 -0.57 0.00 0.00 179.45 179.66 1x4q h LYS 53 N -0.09 -0.59 -0.86 3.15 1.57 0.66 -3.28 116.57 117.13 1x4q h LYS 53 Ca 0.02 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.98 1x4q h LYS 53 Cb 0.63 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.93 1x4q h LYS 53 CO 0.03 -0.37 -0.32 0.00 -0.57 0.00 0.00 179.45 178.22 1x4q n ALA 54 N -2.71 -0.06 -0.20 3.86 0.00 0.16 0.06 120.51 121.61 1x4q n ALA 54 Ca -0.08 0.87 -0.07 0.00 0.00 0.00 0.00 53.44 54.15 1x4q n ALA 54 Cb 0.26 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 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 1.26 -0.24 -0.55 0.00 0.00 -1.61 0.81 119.26 118.93 1x4q h ALA 55 Ca 0.31 0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.51 1x4q h ALA 55 Cb 0.53 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1x4q h ALA 55 CO -0.86 -0.78 0.53 0.22 0.00 0.00 0.00 179.25 178.36 1x4q h ASP 56 N -0.21 0.00 0.94 0.00 1.82 -0.43 1.01 116.42 119.55 1x4q h ASP 56 Ca 0.20 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.63 1x4q h ASP 56 Cb 0.56 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 1x4q h ASP 56 CO -0.68 0.00 -1.11 -0.74 -1.61 0.00 0.00 179.24 175.10 1x4q h HIS 57 N 0.00 0.00 -0.40 0.28 2.76 0.89 -3.28 115.15 115.39 1x4q h HIS 57 Ca 0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 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 0.90 0.00 1.28 -1.30 0.00 0.00 177.93 178.81 1x4q n LEU 58 N -3.24 3.34 0.34 0.26 4.77 0.17 -4.54 117.00 118.10 1x4q n LEU 58 Ca -0.04 -1.59 -0.15 0.00 -0.03 0.00 0.00 56.01 54.20 1x4q n LEU 58 Cb 0.93 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1x4q n LEU 58 CO 0.45 0.75 0.44 0.50 -1.33 0.00 0.00 177.39 178.20 1x4q h LYS 59 N 3.93 -0.86 0.00 3.23 1.63 0.70 1.17 116.57 126.38 1x4q h LYS 59 Ca 0.00 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1x4q h LYS 59 Cb 0.91 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1x4q h LYS 59 CO 0.00 -0.54 0.00 -0.35 -3.45 0.00 0.00 179.45 175.11 1x4q n PRO 60 N -5.39 0.24 -0.03 1.90 -0.04 -1.26 0.15 135.00 130.57 1x4q n PRO 60 Ca -0.12 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1x4q n PRO 60 Cb 0.37 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.13 -4.87 117.46 114.47 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 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 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 -2.16 0.33 0.00 4.37 4.77 0.40 -4.85 117.00 119.86 1x4q n LEU 62 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1x4q n LEU 62 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1x4q n LEU 62 CO 0.21 -0.15 0.00 0.47 -1.33 0.00 0.00 177.39 176.58 1x4q n ASP 63 N -2.54 0.00 0.15 -1.43 8.00 0.39 -1.35 116.55 119.77 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 0.23 0.00 0.54 0.00 -0.02 0.00 0.00 41.12 41.87 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 1.55 0.58 -0.94 -2.24 2.03 -1.26 -1.75 116.55 114.53 1x4q n ASP 64 Ca 0.00 0.72 0.04 0.00 0.52 0.00 0.00 54.79 56.08 1x4q n ASP 64 Cb 0.00 -0.82 0.15 0.00 -0.72 0.00 0.00 41.12 39.73 1x4q n ASP 64 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x4q n SER 65 N -2.23 1.61 0.00 1.67 7.64 -0.46 -4.84 113.62 117.00 1x4q n SER 65 Ca -0.00 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.55 1x4q n SER 65 Cb 0.10 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 -0.63 0.00 -0.18 0.44 -1.04 -0.71 -2.60 114.28 109.55 1x4q n THR 66 Ca 0.16 0.30 -0.02 0.00 -2.04 0.00 0.00 64.05 62.44 1x4q n THR 66 Cb 0.83 -0.91 0.04 0.00 -1.82 0.00 0.00 70.33 68.48 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 -0.58 -0.80 -4.42 3.38 -1.90 0.39 115.31 111.37 1x4q h LEU 67 Ca 0.00 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1x4q h LEU 67 Cb 0.00 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1x4q h LEU 67 CO 0.00 -0.20 0.49 0.08 0.09 0.00 0.00 178.44 178.90 1x4q h ARG 68 N -0.03 0.87 0.00 1.13 0.11 -1.89 -0.58 114.38 114.00 1x4q h ARG 68 Ca 0.26 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.29 1x4q h ARG 68 Cb 0.43 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1x4q h ARG 68 CO -0.58 0.58 0.00 0.34 0.10 0.00 0.00 179.97 180.41 1x4q n PHE 69 N -4.66 0.00 -0.03 4.08 -0.00 0.03 -3.31 117.46 113.58 1x4q n PHE 69 Ca 0.11 0.00 0.21 0.00 -0.00 0.00 0.00 57.45 57.77 1x4q n PHE 69 Cb 0.17 -0.46 0.46 0.00 -0.00 0.00 0.00 39.48 39.64 1x4q n PHE 69 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 1x4q h VAL 70 N 0.00 0.07 -0.57 -2.13 3.04 -0.38 0.82 116.25 117.10 1x4q h VAL 70 Ca 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1x4q h VAL 70 Cb 0.00 0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 29.44 1x4q h VAL 70 CO 0.00 0.00 0.14 0.44 -1.01 0.00 0.00 177.57 177.14 1x4q h ASP 71 N 0.00 0.87 0.57 3.17 5.19 -1.09 -2.44 116.42 122.69 1x4q h ASP 71 Ca 0.32 -0.23 -0.29 0.00 -0.62 0.00 0.00 57.03 56.21 1x4q h ASP 71 Cb 2.25 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 41.54 1x4q h ASP 71 CO -0.00 0.88 -1.31 0.11 -3.12 0.00 0.00 179.24 175.79 1x4q h LYS 72 N 0.82 0.29 0.49 3.56 1.79 0.62 -3.24 116.57 120.89 1x4q h LYS 72 Ca 0.18 -0.50 -0.01 0.00 -2.18 0.00 0.00 60.65 58.14 1x4q h LYS 72 Cb 0.35 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 1x4q h LYS 72 CO 0.00 1.22 -0.50 1.25 -1.08 0.00 0.00 179.45 180.35 1x4q h LEU 73 N 0.08 -1.36 -1.79 2.94 5.85 -1.31 0.44 115.31 120.15 1x4q h LEU 73 Ca -0.16 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.82 1x4q h LEU 73 Cb 2.00 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 43.44 1x4q h LEU 73 CO 0.20 -0.66 0.44 -0.26 -0.34 0.00 0.00 178.44 177.82 1x4q h PHE 74 N -0.99 0.24 0.00 1.25 -1.00 -1.59 0.46 116.94 115.31 1x4q h PHE 74 Ca -0.06 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1x4q h PHE 74 Cb 0.86 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.35 1x4q h PHE 74 CO -0.26 0.10 -0.20 0.39 -1.61 0.00 0.00 178.31 176.74 1x4q n GLU 75 N -4.43 0.20 -0.07 1.51 1.02 -0.67 -3.77 120.64 114.43 1x4q n GLU 75 Ca 0.12 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1x4q n GLU 75 Cb 0.56 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 1x4q n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x4q h ALA 76 N 2.64 0.28 -0.94 0.62 0.00 0.46 -2.31 119.26 120.00 1x4q h ALA 76 Ca 0.00 -0.30 0.37 0.00 0.00 0.00 0.00 54.91 54.98 1x4q h ALA 76 Cb 0.68 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.23 1x4q h ALA 76 CO 0.00 0.12 0.40 0.28 0.00 0.00 0.00 179.25 180.06 1x4q n VAL 77 N -4.55 -0.40 0.05 0.00 0.31 -1.19 0.20 118.33 112.76 1x4q n VAL 77 Ca -0.05 1.95 0.01 0.00 -0.01 0.00 0.00 64.34 66.24 1x4q n VAL 77 Cb 0.33 -3.10 -0.07 0.00 -0.91 0.00 0.00 33.84 30.09 1x4q n VAL 77 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1x4q h GLU 78 N 0.00 0.00 0.37 5.55 4.39 -1.78 -3.02 114.58 120.10 1x4q h GLU 78 Ca 0.75 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.44 1x4q h GLU 78 Cb 1.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1x4q h GLU 78 CO -0.76 0.31 -0.18 1.49 -1.16 0.00 0.00 179.01 178.71 1x4q h GLU 79 N 0.00 -0.48 -0.51 2.33 4.81 0.29 0.50 114.58 121.51 1x4q h GLU 79 Ca -0.14 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1x4q h GLU 79 Cb 1.54 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 1x4q h GLU 79 CO 0.05 -0.24 -0.12 0.78 -0.73 0.00 0.00 179.01 178.75 1x4q h GLY 80 N -1.07 1.05 0.00 1.92 0.00 -0.31 -3.36 103.07 101.29 1x4q h GLY 80 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1x4q h GLY 80 CO 0.08 0.77 -0.17 3.21 0.00 0.00 0.00 176.54 180.43 1x4q h ARG 81 N 0.86 0.00 -5.65 4.80 3.08 -1.64 -3.50 114.38 112.33 1x4q h ARG 81 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1x4q h ARG 81 Cb 0.67 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1x4q h ARG 81 CO 0.05 0.00 -0.85 0.45 -1.07 0.00 0.00 179.97 178.55 1x4q n SER 82 N -3.54 -4.93 -4.88 7.04 2.88 0.17 -4.98 113.62 105.38 1x4q n SER 82 Ca -0.02 1.09 -0.26 0.00 -1.33 0.00 0.00 58.87 58.35 1x4q n SER 82 Cb 0.09 -3.37 0.07 0.00 -0.75 0.00 0.00 64.21 60.25 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 -0.59 4.74 0.39 -3.46 0.01 -1.26 -5.06 113.70 108.46 1x4q s SER 83 Ca -0.11 0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.57 1x4q s SER 83 Cb 0.01 -0.99 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 1x4q s SER 83 CO 0.39 -1.64 0.05 -0.13 0.41 0.00 0.00 173.24 172.32 1x4q s ARG 84 N -5.24 1.85 0.17 12.44 1.81 -1.26 -5.09 118.95 123.62 1x4q s ARG 84 Ca 0.61 -2.07 0.00 0.00 -1.72 0.00 0.00 55.73 52.55 1x4q s ARG 84 Cb -0.10 -1.11 0.00 0.00 -0.45 0.00 0.00 34.95 33.29 1x4q s ARG 84 CO 0.45 -0.22 0.00 1.58 -0.68 0.00 0.00 175.30 176.42 1x4q n HIS 85 N -0.87 -1.54 -1.22 -0.53 -0.00 -1.26 -5.03 115.22 104.76 1x4q n HIS 85 Ca -0.06 0.78 0.15 0.00 0.46 0.00 0.00 57.72 59.06 1x4q n HIS 85 Cb 0.66 -1.40 -0.05 0.00 -0.12 0.00 0.00 29.99 29.09 1x4q n HIS 85 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1x4q n SER 86 N -2.71 -6.96 -3.83 0.26 7.64 -1.26 -4.97 113.62 101.78 1x4q n SER 86 Ca -0.00 0.67 -0.12 0.00 1.01 0.00 0.00 58.87 60.43 1x4q n SER 86 Cb 0.28 -3.89 -0.11 0.00 -1.01 0.00 0.00 64.21 59.48 1x4q n SER 86 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4q s SER 87 N -6.19 -0.09 0.00 6.43 0.01 -1.26 -5.08 113.70 107.52 1x4q s SER 87 Ca 0.00 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1x4q s SER 87 Cb 0.00 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1x4q s SER 87 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1x4q n GLY 88 N 2.15 -1.85 3.75 3.44 0.00 -1.26 -5.15 105.19 106.27 1x4q n GLY 88 Ca -0.18 0.89 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 4.43 0.05 1.61 0.04 -1.26 -4.61 135.00 135.26 1x4q s PRO 89 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x4q s PRO 89 Cb 0.00 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1x4q s PRO 89 CO 0.00 -0.12 0.00 0.43 0.04 0.00 0.00 177.00 177.35 1x4q n SER 90 N 1.65 -7.57 -4.65 6.66 7.64 -1.26 -4.92 113.62 111.17 1x4q n SER 90 Ca 0.02 1.31 -0.36 0.00 1.01 0.00 0.00 58.87 60.85 1x4q n SER 90 Cb 0.43 -4.12 0.07 0.00 -1.01 0.00 0.00 64.21 59.58 1x4q n SER 90 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4q n SER 91 N 1.38 1.00 0.00 6.43 7.64 -1.26 -5.29 113.62 123.52 1x4q n SER 91 Ca 0.00 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1x4q n SER 91 Cb 0.00 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64