#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 -3.90 -4.13 1.61 2.88 -1.26 -5.04 113.62 103.77 1x4q n SER 2 Ca 0.00 -0.27 -0.11 0.00 -1.33 0.00 0.00 58.87 57.16 1x4q n SER 2 Cb 0.00 -2.74 -0.10 0.00 -0.75 0.00 0.00 64.21 60.62 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 -3.22 1.04 -0.72 -3.46 1.04 -1.26 -5.07 113.70 102.06 1x4q s SER 3 Ca 0.25 -0.86 -0.00 0.00 0.48 0.00 0.00 55.95 55.83 1x4q s SER 3 Cb -0.11 0.08 0.38 0.00 0.10 0.00 0.00 66.02 66.46 1x4q s SER 3 CO 0.36 -0.38 1.78 0.61 0.98 0.00 0.00 173.24 176.58 1x4q n GLY 4 N 0.45 5.69 3.66 7.32 0.00 -1.26 -5.03 105.19 116.02 1x4q n GLY 4 Ca -0.16 -2.55 -0.59 0.00 0.00 0.00 0.00 46.02 42.72 1x4q n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4q n SER 5 N -0.55 1.59 0.08 1.61 7.64 -1.26 -4.82 113.62 117.92 1x4q n SER 5 Ca 0.50 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.51 1x4q n SER 5 Cb 0.38 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1x4q n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4q n SER 6 N 3.86 0.50 0.00 6.43 2.88 -1.26 -5.17 113.62 120.86 1x4q n SER 6 Ca 0.25 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1x4q n SER 6 Cb 0.09 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1x4q n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4q n GLY 7 N 2.61 3.71 0.00 0.46 0.00 -1.26 -4.71 105.19 105.99 1x4q n GLY 7 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.37 0.00 0.00 1.61 2.00 -1.26 -4.70 117.12 113.40 1x4q n MET 8 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 57.70 58.51 1x4q n MET 8 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 31.95 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 -2.42 0.98 -1.86 3.04 0.00 0.24 -4.85 120.51 115.64 1x4q n ALA 9 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1x4q n ALA 9 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.44 3.21 0.67 0.00 1.43 -0.54 -5.00 118.68 116.02 1x4q s LEU 10 Ca 0.00 1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 54.39 1x4q s LEU 10 Cb 0.00 -4.45 -0.00 0.00 0.03 0.00 0.00 46.19 41.77 1x4q s LEU 10 CO 0.00 -0.90 1.06 -0.44 0.23 0.00 0.00 176.35 176.30 1x4q s SER 11 N -4.18 5.47 0.22 2.29 0.01 -1.26 -4.75 113.70 111.50 1x4q s SER 11 Ca 0.55 1.65 -0.09 0.00 1.31 0.00 0.00 55.95 59.38 1x4q s SER 11 Cb -0.11 -2.50 0.19 0.00 0.21 0.00 0.00 66.02 63.81 1x4q s SER 11 CO 0.54 -1.38 1.89 0.50 0.41 0.00 0.00 173.24 175.19 1x4q h LYS 12 N -0.49 1.06 0.01 12.44 3.64 -1.97 -2.06 116.57 129.20 1x4q h LYS 12 Ca -0.44 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 58.68 1x4q h LYS 12 Cb 1.21 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1x4q h LYS 12 CO 0.57 0.70 -0.89 0.07 -2.27 0.00 0.00 179.45 177.63 1x4q h ARG 13 N 1.09 0.04 0.48 1.90 0.11 -1.99 -2.91 114.38 113.10 1x4q h ARG 13 Ca 0.30 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.31 1x4q h ARG 13 Cb -0.10 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.00 1x4q h ARG 13 CO -0.07 0.90 -0.24 0.93 0.10 0.00 0.00 179.97 181.59 1x4q h GLU 14 N 0.02 -0.63 0.00 0.08 4.39 -1.79 -2.50 114.58 114.14 1x4q h GLU 14 Ca -0.02 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1x4q h GLU 14 Cb 1.56 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.35 1x4q h GLU 14 CO 0.12 -0.42 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.25 1x4q h LEU 15 N -0.66 0.00 -1.73 1.33 3.38 -1.49 -2.45 115.31 113.69 1x4q h LEU 15 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1x4q h LEU 15 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1x4q h LEU 15 CO 0.10 0.23 -0.09 -0.78 0.09 0.00 0.00 178.44 178.00 1x4q h ASP 16 N 0.00 0.05 1.51 -0.43 3.58 -1.24 -0.53 116.42 119.36 1x4q h ASP 16 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1x4q h ASP 16 Cb 0.52 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1x4q h ASP 16 CO 0.03 0.15 0.00 -0.33 -2.88 0.00 0.00 179.24 176.21 1x4q h GLU 17 N 0.06 0.00 0.07 0.28 5.08 -1.11 -3.23 114.58 115.73 1x4q h GLU 17 Ca 0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.04 1x4q h GLU 17 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1x4q h GLU 17 CO 0.01 0.00 -1.84 -0.07 -1.00 0.00 0.00 179.01 176.11 1x4q h LEU 18 N 0.00 0.24 -0.80 1.33 -0.00 -1.19 -3.34 115.31 111.55 1x4q h LEU 18 Ca 0.00 -0.52 0.08 0.00 -0.00 0.00 0.00 57.88 57.43 1x4q h LEU 18 Cb 0.75 -0.08 -0.10 0.00 -0.00 0.00 0.00 40.66 41.23 1x4q h LEU 18 CO 0.00 1.47 -0.56 0.11 -0.00 0.00 0.00 178.44 179.46 1x4q h LYS 19 N 0.04 -0.10 0.00 1.13 1.57 -1.30 1.13 116.57 119.04 1x4q h LYS 19 Ca -0.35 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1x4q h LYS 19 Cb 2.03 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1x4q h LYS 19 CO 0.09 -0.07 0.00 -0.35 -0.57 0.00 0.00 179.45 178.55 1x4q n PRO 20 N -5.19 0.05 0.01 3.15 -0.04 -1.26 -1.34 135.00 130.39 1x4q n PRO 20 Ca 0.00 0.30 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 1x4q n PRO 20 Cb 0.27 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.71 0.59 -0.05 0.54 -0.00 0.29 -4.17 117.44 112.94 1x4q n TRP 21 Ca 0.03 0.19 -0.22 0.00 -0.00 0.00 0.00 57.50 57.50 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 1.67 -0.13 5.87 5.41 0.31 -3.08 119.36 126.72 1x4q n ILE 22 Ca -0.11 -0.48 0.27 0.00 1.00 0.00 0.00 62.75 63.44 1x4q n ILE 22 Cb 0.78 -1.78 0.72 0.00 -0.71 0.00 0.00 39.64 38.66 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 -0.27 0.00 0.07 0.38 5.08 -1.42 0.33 114.58 118.75 1x4q h GLU 23 Ca -0.45 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.64 1x4q h GLU 23 Cb 1.81 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 1x4q h GLU 23 CO -0.04 0.00 -1.45 1.57 -1.00 0.00 0.00 179.01 178.09 1x4q h LYS 24 N 0.00 0.14 -0.29 2.33 2.10 -1.72 -3.33 116.57 115.79 1x4q h LYS 24 Ca 0.39 -0.24 0.06 0.00 -2.00 0.00 0.00 60.65 58.86 1x4q h LYS 24 Cb 1.59 0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 32.95 1x4q h LYS 24 CO -0.00 1.11 -0.07 1.15 -2.00 0.00 0.00 179.45 179.64 1x4q h THR 25 N -0.53 0.72 -0.58 0.07 2.02 -1.20 -2.10 112.91 111.31 1x4q h THR 25 Ca -0.34 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.94 1x4q h THR 25 Cb 1.61 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 1x4q h THR 25 CO -0.05 0.00 0.11 0.58 0.37 0.00 0.00 175.52 176.53 1x4q h VAL 26 N 0.01 0.64 -0.10 3.16 2.07 -1.16 0.34 116.25 121.20 1x4q h VAL 26 Ca 0.14 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1x4q h VAL 26 Cb 0.21 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1x4q h VAL 26 CO -0.29 0.04 0.13 0.50 0.02 0.00 0.00 177.57 177.97 1x4q h LYS 27 N 0.23 0.00 0.14 1.57 3.64 -1.50 0.20 116.57 120.85 1x4q h LYS 27 Ca 0.30 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.34 1x4q h LYS 27 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1x4q h LYS 27 CO -0.40 0.00 -1.78 -0.09 -2.27 0.00 0.00 179.45 174.90 1x4q h ARG 28 N 0.00 0.30 -0.07 1.90 2.43 -0.13 0.73 114.38 119.53 1x4q h ARG 28 Ca 0.05 -0.51 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1x4q h ARG 28 Cb 0.30 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1x4q h ARG 28 CO -0.00 1.19 -0.09 0.28 -1.51 0.00 0.00 179.97 179.84 1x4q h VAL 29 N 0.08 1.38 0.00 0.20 2.07 0.14 -3.29 116.25 116.84 1x4q h VAL 29 Ca -0.35 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 65.80 1x4q h VAL 29 Cb 2.06 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.90 1x4q h VAL 29 CO 0.14 0.36 -1.20 0.18 0.02 0.00 0.00 177.57 177.07 1x4q n LEU 30 N -4.67 0.82 0.00 2.57 4.77 0.60 -4.96 117.00 116.13 1x4q n LEU 30 Ca -0.07 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1x4q n LEU 30 Cb 0.33 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1x4q n LEU 30 CO 0.37 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1x4q n GLY 31 N 1.27 2.80 0.00 -0.72 0.00 0.24 -4.65 105.19 104.14 1x4q n GLY 31 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.43 1.61 1.16 -1.21 -4.86 117.46 110.73 1x4q n PHE 32 Ca 0.00 0.00 0.17 0.00 -1.87 0.00 0.00 57.45 55.75 1x4q n PHE 32 Cb 0.00 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.78 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 -0.37 -7.91 -3.66 5.98 3.41 -1.26 -4.88 113.62 104.93 1x4q n SER 33 Ca 0.00 1.39 -0.11 0.00 -0.26 0.00 0.00 58.87 59.88 1x4q n SER 33 Cb 0.04 -4.89 -0.08 0.00 -0.26 0.00 0.00 64.21 59.02 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 -4.13 0.66 -0.02 4.33 2.12 -1.26 -4.90 118.70 115.50 1x4q s GLU 34 Ca 0.00 0.94 -0.26 0.00 0.36 0.00 0.00 54.97 56.01 1x4q s GLU 34 Cb 0.00 0.24 -0.20 0.00 0.26 0.00 0.00 34.13 34.43 1x4q s GLU 34 CO 0.00 -0.11 1.24 -1.00 -0.54 0.00 0.00 175.26 174.85 1x4q h PRO 35 N 5.94 -0.04 -0.90 4.30 0.13 -1.99 -2.71 132.00 136.73 1x4q h PRO 35 Ca -0.30 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.95 1x4q h PRO 35 Cb 1.19 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1x4q h PRO 35 CO 0.16 0.43 0.53 0.00 -0.23 0.00 0.00 178.00 178.88 1x4q h THR 36 N -0.52 0.86 -0.02 1.56 1.03 -2.00 -2.15 112.91 111.66 1x4q h THR 36 Ca -0.00 -0.28 -0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1x4q h THR 36 Cb 0.49 -0.03 -0.00 0.00 -1.07 0.00 0.00 68.15 67.53 1x4q h THR 36 CO 0.01 0.15 0.01 0.58 -0.01 0.00 0.00 175.52 176.25 1x4q h VAL 37 N 0.82 1.15 -0.94 0.00 2.07 -1.91 -2.37 116.25 115.08 1x4q h VAL 37 Ca 0.46 -0.45 0.28 0.00 0.82 0.00 0.00 66.70 67.81 1x4q h VAL 37 Cb 0.51 1.42 -0.16 0.00 -1.52 0.00 0.00 31.29 31.53 1x4q h VAL 37 CO -0.29 0.12 0.28 0.58 0.02 0.00 0.00 177.57 178.29 1x4q h VAL 38 N -0.15 0.19 0.39 2.57 2.07 -1.05 -1.14 116.25 119.13 1x4q h VAL 38 Ca 0.01 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1x4q h VAL 38 Cb 0.19 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1x4q h VAL 38 CO -0.00 0.03 -0.19 0.74 0.02 0.00 0.00 177.57 178.17 1x4q h THR 39 N 0.15 0.29 -1.79 2.57 2.02 -1.36 -2.44 112.91 112.35 1x4q h THR 39 Ca 0.64 -0.67 0.52 0.00 0.77 0.00 0.00 66.41 67.67 1x4q h THR 39 Cb 1.40 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 68.20 1x4q h THR 39 CO -0.73 0.07 1.28 0.00 0.37 0.00 0.00 175.52 176.51 1x4q h ALA 40 N -0.84 3.67 0.00 6.16 0.00 -0.72 0.27 119.26 127.80 1x4q h ALA 40 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1x4q h ALA 40 Cb 0.51 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x4q h ALA 40 CO 0.09 -2.19 -0.02 0.00 0.00 0.00 0.00 179.25 177.12 1x4q h ALA 41 N 1.12 0.00 -1.00 0.00 0.00 -1.22 -3.06 119.26 115.11 1x4q h ALA 41 Ca 0.86 -0.36 0.25 0.00 0.00 0.00 0.00 54.91 55.65 1x4q h ALA 41 Cb 3.41 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 21.14 1x4q h ALA 41 CO -0.03 0.01 0.66 -0.07 0.00 0.00 0.00 179.25 179.82 1x4q h LEU 42 N -1.00 0.38 -0.15 0.00 3.38 -0.03 0.33 115.31 118.23 1x4q h LEU 42 Ca -0.01 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1x4q h LEU 42 Cb 0.71 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1x4q h LEU 42 CO -0.00 0.11 -0.24 -1.13 0.09 0.00 0.00 178.44 177.26 1x4q h ASN 43 N 0.35 0.47 0.00 -0.43 -0.73 -1.31 -1.40 115.58 112.53 1x4q h ASN 43 Ca 0.54 -0.53 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1x4q h ASN 43 Cb 1.45 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.91 1x4q h ASN 43 CO -0.22 0.91 0.00 0.00 -0.37 0.00 0.00 177.43 177.75 1x4q h VAL 45 N 0.00 0.92 -0.44 0.00 -1.51 -1.59 -0.69 116.25 112.94 1x4q h VAL 45 Ca 0.00 -0.24 -0.05 0.00 -1.23 0.00 0.00 66.70 65.18 1x4q h VAL 45 Cb 0.00 0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 29.28 1x4q h VAL 45 CO 0.00 0.13 0.08 1.23 -1.23 0.00 0.00 177.57 177.78 1x4q h GLY 46 N 0.71 0.72 -3.16 5.19 0.00 -0.91 -2.15 103.07 103.47 1x4q h GLY 46 Ca 0.38 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 47.09 1x4q h GLY 46 CO -0.15 0.38 0.27 1.17 0.00 0.00 0.00 176.54 178.21 1x4q n LYS 47 N -4.29 2.63 -1.05 4.80 0.00 0.11 0.83 118.16 121.19 1x4q n LYS 47 Ca 0.03 -2.15 -0.07 0.00 0.00 0.00 0.00 58.31 56.12 1x4q n LYS 47 Cb 0.22 -1.91 -0.03 0.00 0.00 0.00 0.00 35.03 33.31 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 -0.21 0.66 3.10 3.14 0.00 -0.81 -4.87 105.19 106.20 1x4q n GLY 48 Ca 0.33 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.05 -1.50 -4.39 1.61 2.81 -0.51 -5.00 117.12 109.08 1x4q n MET 49 Ca -0.07 -0.44 -0.28 0.00 -1.81 0.00 0.00 57.70 55.11 1x4q n MET 49 Cb 0.29 -1.46 -0.12 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.70 3.50 0.38 7.83 1.11 -1.26 -4.84 116.67 121.69 1x4q s ASP 50 Ca 0.42 -0.78 0.22 0.00 0.18 0.00 0.00 52.55 52.59 1x4q s ASP 50 Cb -0.05 -0.30 1.33 0.00 1.07 0.00 0.00 42.92 44.97 1x4q s ASP 50 CO 0.51 0.14 1.60 0.11 1.18 0.00 0.00 175.17 178.71 1x4q h LYS 51 N 3.43 0.06 0.11 8.23 1.57 -1.95 0.52 116.57 128.54 1x4q h LYS 51 Ca -0.48 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1x4q h LYS 51 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1x4q h LYS 51 CO 0.45 0.04 -0.05 0.87 -0.57 0.00 0.00 179.45 180.19 1x4q h LYS 52 N 0.06 -0.14 0.36 3.15 1.79 -2.00 -2.85 116.57 116.93 1x4q h LYS 52 Ca 0.83 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 59.30 1x4q h LYS 52 Cb 2.24 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.92 1x4q h LYS 52 CO -0.69 0.18 -0.17 0.87 -1.08 0.00 0.00 179.45 178.56 1x4q h LYS 53 N -0.47 -0.46 -0.71 3.15 1.57 -0.54 -3.24 116.57 115.86 1x4q h LYS 53 Ca -0.01 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1x4q h LYS 53 Cb 0.38 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.69 1x4q h LYS 53 CO 0.02 -0.31 -0.32 0.00 -0.57 0.00 0.00 179.45 178.28 1x4q n ALA 54 N -2.32 -0.19 -0.32 3.86 0.00 0.75 0.14 120.51 122.42 1x4q n ALA 54 Ca -0.06 0.68 0.10 0.00 0.00 0.00 0.00 53.44 54.16 1x4q n ALA 54 Cb 0.19 -0.26 0.21 0.00 0.00 0.00 0.00 19.45 19.60 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 0.81 0.93 -0.48 0.00 0.00 -1.54 1.28 119.26 120.26 1x4q h ALA 55 Ca 0.21 0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.48 1x4q h ALA 55 Cb 0.39 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1x4q h ALA 55 CO -0.70 -0.48 0.32 0.22 0.00 0.00 0.00 179.25 178.61 1x4q h ASP 56 N 0.04 0.44 1.80 0.00 1.82 0.11 0.66 116.42 121.29 1x4q h ASP 56 Ca 0.51 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 57.11 1x4q h ASP 56 Cb 0.96 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.86 1x4q h ASP 56 CO -0.86 0.30 -0.20 -0.74 -1.61 0.00 0.00 179.24 176.12 1x4q h HIS 57 N 0.51 0.00 -0.25 0.28 2.76 0.17 -3.18 115.15 115.45 1x4q h HIS 57 Ca 0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1x4q h HIS 57 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1x4q h HIS 57 CO -0.00 0.20 0.00 1.28 -1.30 0.00 0.00 177.93 178.11 1x4q n LEU 58 N -3.15 2.99 0.37 0.26 4.77 0.27 -4.56 117.00 117.96 1x4q n LEU 58 Ca 0.03 -1.38 -0.17 0.00 -0.03 0.00 0.00 56.01 54.46 1x4q n LEU 58 Cb 0.61 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1x4q n LEU 58 CO 0.37 0.62 0.54 0.50 -1.33 0.00 0.00 177.39 178.09 1x4q h LYS 59 N 3.68 -0.91 0.00 3.23 1.63 0.27 0.87 116.57 125.34 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 0.84 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1x4q h LYS 59 CO 0.00 -0.58 0.00 -0.35 -3.45 0.00 0.00 179.45 175.07 1x4q n PRO 60 N -5.45 0.24 -0.05 1.90 -0.04 -1.26 0.15 135.00 130.49 1x4q n PRO 60 Ca -0.13 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 1x4q n PRO 60 Cb 0.39 -1.50 -0.10 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 0.07 0.54 3.72 -1.04 -4.90 117.46 114.60 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 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 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 -2.40 0.23 0.00 4.37 4.77 0.30 -4.91 117.00 119.37 1x4q n LEU 62 Ca -0.18 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1x4q n LEU 62 Cb 0.83 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1x4q n LEU 62 CO 0.27 -0.60 0.00 0.47 -1.33 0.00 0.00 177.39 176.20 1x4q n ASP 63 N -3.21 0.00 0.13 -1.43 8.00 0.12 -2.67 116.55 117.49 1x4q n ASP 63 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1x4q n ASP 63 Cb 0.08 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.67 1x4q n ASP 63 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1x4q n ASP 64 N 1.42 0.71 -0.51 -2.24 5.75 -1.26 -2.61 116.55 117.81 1x4q n ASP 64 Ca 0.00 0.66 0.07 0.00 -0.01 0.00 0.00 54.79 55.51 1x4q n ASP 64 Cb 0.00 -0.82 0.14 0.00 -1.03 0.00 0.00 41.12 39.41 1x4q n ASP 64 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1x4q n SER 65 N -2.27 1.68 0.00 -1.12 7.64 -1.09 -4.83 113.62 113.63 1x4q n SER 65 Ca 0.02 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.71 1x4q n SER 65 Cb 0.25 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 -0.93 0.00 -0.36 0.44 -1.04 -1.07 -1.70 114.28 109.62 1x4q n THR 66 Ca 0.14 0.38 0.27 0.00 -2.04 0.00 0.00 64.05 62.80 1x4q n THR 66 Cb 0.73 -1.05 0.55 0.00 -1.82 0.00 0.00 70.33 68.74 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 0.38 -0.22 -4.42 3.38 -1.89 0.55 115.31 113.09 1x4q h LEU 67 Ca 0.00 0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 1x4q h LEU 67 Cb 0.00 0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1x4q h LEU 67 CO 0.00 0.00 -0.76 -0.09 0.09 0.00 0.00 178.44 177.68 1x4q h ARG 68 N 0.30 0.71 0.06 1.13 9.65 -1.88 -2.96 114.38 121.38 1x4q h ARG 68 Ca 0.66 -0.57 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1x4q h ARG 68 Cb 1.82 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.52 1x4q h ARG 68 CO -0.33 1.19 -0.03 0.35 2.80 0.00 0.00 179.97 183.95 1x4q h PHE 69 N 0.48 -0.07 -0.95 2.20 3.04 0.81 -3.26 116.94 119.20 1x4q h PHE 69 Ca -0.05 -0.00 0.28 0.00 3.98 0.00 0.00 57.97 62.18 1x4q h PHE 69 Cb 1.38 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.87 1x4q h PHE 69 CO 0.08 -0.04 1.04 -0.24 -2.02 0.00 0.00 178.31 177.12 1x4q h VAL 70 N -0.19 0.10 -0.45 1.41 3.04 -0.69 0.79 116.25 120.26 1x4q h VAL 70 Ca -0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.64 1x4q h VAL 70 Cb 0.06 0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 29.49 1x4q h VAL 70 CO 0.01 0.00 0.12 0.44 -1.01 0.00 0.00 177.57 177.13 1x4q h ASP 71 N 0.00 0.68 0.67 3.17 3.32 -1.56 -2.31 116.42 120.39 1x4q h ASP 71 Ca 0.45 -0.23 -0.21 0.00 0.02 0.00 0.00 57.03 57.06 1x4q h ASP 71 Cb 2.52 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.88 1x4q h ASP 71 CO -0.00 0.73 -0.97 0.11 -1.72 0.00 0.00 179.24 177.39 1x4q h LYS 72 N 0.59 0.17 0.46 3.56 1.79 0.53 -3.18 116.57 120.50 1x4q h LYS 72 Ca 0.14 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1x4q h LYS 72 Cb 0.31 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1x4q h LYS 72 CO 0.00 1.01 -0.25 1.25 -1.08 0.00 0.00 179.45 180.38 1x4q h LEU 73 N 0.08 -0.61 -0.62 2.94 5.85 -1.23 0.21 115.31 121.93 1x4q h LEU 73 Ca -0.05 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1x4q h LEU 73 Cb 1.64 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 42.72 1x4q h LEU 73 CO 0.15 -0.40 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.46 1x4q h PHE 74 N -0.65 -0.27 0.00 1.25 -1.00 -1.56 0.60 116.94 115.31 1x4q h PHE 74 Ca -0.06 0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1x4q h PHE 74 Cb 0.51 0.21 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 1x4q h PHE 74 CO 0.06 -0.25 -0.09 0.93 -1.61 0.00 0.00 178.31 177.35 1x4q h GLU 75 N 0.02 0.00 -0.42 1.51 4.39 -1.51 -2.76 114.58 115.80 1x4q h GLU 75 Ca 0.30 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.04 1x4q h GLU 75 Cb 0.47 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 1x4q h GLU 75 CO -0.61 0.09 0.19 0.00 -1.16 0.00 0.00 179.01 177.52 1x4q h ALA 76 N 1.91 0.52 -1.00 3.43 0.00 0.35 -1.11 119.26 123.37 1x4q h ALA 76 Ca -0.00 0.03 0.40 0.00 0.00 0.00 0.00 54.91 55.33 1x4q h ALA 76 Cb 0.27 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.85 1x4q h ALA 76 CO 0.01 -0.17 0.54 0.28 0.00 0.00 0.00 179.25 179.91 1x4q h VAL 77 N 0.39 0.07 0.00 0.00 2.07 -1.39 1.79 116.25 119.19 1x4q h VAL 77 Ca 0.19 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1x4q h VAL 77 Cb 0.12 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1x4q h VAL 77 CO -0.15 0.01 -1.05 -0.62 0.02 0.00 0.00 177.57 175.78 1x4q n GLU 78 N -5.21 0.51 -0.00 1.57 1.02 -0.82 -2.93 120.64 114.77 1x4q n GLU 78 Ca 0.36 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.47 1x4q n GLU 78 Cb 1.22 -1.74 -0.08 0.00 -0.02 0.00 0.00 31.44 30.81 1x4q n GLU 78 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1x4q h GLU 79 N 0.00 -0.10 -0.08 3.49 4.57 0.38 0.51 114.58 123.35 1x4q h GLU 79 Ca 0.00 0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 1x4q h GLU 79 Cb 0.92 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1x4q h GLU 79 CO 0.00 0.44 -0.88 0.78 -1.18 0.00 0.00 179.01 178.17 1x4q h GLY 80 N -0.89 0.75 0.00 1.92 0.00 -0.62 -3.37 103.07 100.85 1x4q h GLY 80 Ca -0.01 -1.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.16 1x4q h GLY 80 CO 0.02 1.03 -0.23 3.21 0.00 0.00 0.00 176.54 180.56 1x4q h ARG 81 N 0.43 0.00 -3.73 4.80 3.08 -1.68 -3.51 114.38 113.76 1x4q h ARG 81 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1x4q h ARG 81 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1x4q h ARG 81 CO 0.17 0.01 -0.72 0.45 -1.07 0.00 0.00 179.97 178.81 1x4q n SER 82 N -4.70 -7.41 -4.96 7.04 2.88 0.17 -5.03 113.62 101.61 1x4q n SER 82 Ca -0.03 1.19 -0.21 0.00 -1.33 0.00 0.00 58.87 58.49 1x4q n SER 82 Cb 0.12 -4.09 0.04 0.00 -0.75 0.00 0.00 64.21 59.53 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 -0.41 5.25 -0.24 -3.46 0.01 -1.26 -5.06 113.70 108.52 1x4q s SER 83 Ca 0.00 -0.14 -0.16 0.00 1.31 0.00 0.00 55.95 56.96 1x4q s SER 83 Cb 0.00 -0.72 -0.12 0.00 0.21 0.00 0.00 66.02 65.40 1x4q s SER 83 CO 0.00 -1.15 -0.22 0.54 0.41 0.00 0.00 173.24 172.82 1x4q n ARG 84 N -2.30 0.56 -3.59 12.44 1.74 -1.26 -4.89 116.66 119.36 1x4q n ARG 84 Ca 0.09 0.34 -0.39 0.00 -0.77 0.00 0.00 57.85 57.12 1x4q n ARG 84 Cb 0.60 -1.55 -0.11 0.00 -1.02 0.00 0.00 32.46 30.37 1x4q n ARG 84 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1x4q s HIS 85 N -2.53 3.20 -0.34 -1.55 2.46 -1.26 -5.02 115.29 110.26 1x4q s HIS 85 Ca -0.33 -0.39 0.02 0.00 0.47 0.00 0.00 55.06 54.83 1x4q s HIS 85 Cb 0.10 -2.42 0.15 0.00 -0.13 0.00 0.00 32.58 30.28 1x4q s HIS 85 CO 0.48 -0.41 0.36 0.45 -2.47 0.00 0.00 174.74 173.16 1x4q s SER 86 N 1.67 1.12 -0.42 9.88 0.15 -1.26 -5.01 113.70 119.82 1x4q s SER 86 Ca 0.05 -1.12 -0.02 0.00 0.70 0.00 0.00 55.95 55.56 1x4q s SER 86 Cb -0.17 0.67 0.24 0.00 -1.71 0.00 0.00 66.02 65.05 1x4q s SER 86 CO 0.08 -0.31 2.13 -1.20 1.20 0.00 0.00 173.24 175.15 1x4q n SER 87 N 4.74 6.76 -4.90 5.45 7.64 -1.26 -4.95 113.62 127.11 1x4q n SER 87 Ca 0.05 -3.25 -0.30 0.00 1.01 0.00 0.00 58.87 56.38 1x4q n SER 87 Cb 0.47 -1.07 -0.04 0.00 -1.01 0.00 0.00 64.21 62.56 1x4q n SER 87 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4q s GLY 88 N -0.24 2.05 0.87 0.23 0.00 -1.26 -5.08 107.32 103.88 1x4q s GLY 88 Ca 0.42 -0.49 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 1x4q s GLY 88 CO -0.05 -0.39 1.09 2.56 0.00 0.00 0.00 173.10 176.32 1x4q s PRO 89 N -3.16 1.46 -0.25 2.90 0.04 -1.26 -5.08 135.00 129.64 1x4q s PRO 89 Ca 0.44 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 1x4q s PRO 89 Cb -0.11 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.67 1x4q s PRO 89 CO 0.26 -2.12 0.64 -1.54 0.04 0.00 0.00 177.00 174.29 1x4q s SER 90 N -3.42 -0.79 -0.93 6.66 1.04 -1.26 -5.10 113.70 109.91 1x4q s SER 90 Ca 0.63 1.36 -0.21 0.00 0.48 0.00 0.00 55.95 58.21 1x4q s SER 90 Cb -0.18 1.30 0.09 0.00 0.10 0.00 0.00 66.02 67.33 1x4q s SER 90 CO 0.57 -0.23 1.24 -0.44 0.98 0.00 0.00 173.24 175.36 1x4q s SER 91 N 1.07 6.51 0.00 7.02 0.01 -1.26 -5.34 113.70 121.71 1x4q s SER 91 Ca -0.06 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1x4q s SER 91 Cb -0.05 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1x4q s SER 91 CO -0.10 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 172.84