#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4q h SER 2 N 0.00 0.00 0.00 1.61 0.87 -2.12 -3.46 113.55 110.45 1x4q h SER 2 Ca 0.00 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1x4q h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1x4q h SER 2 CO 0.00 0.92 -0.25 -0.24 -0.53 0.00 0.00 176.83 176.73 1x4q n SER 3 N -4.63 0.47 0.00 6.23 2.88 -1.26 -5.07 113.62 112.24 1x4q n SER 3 Ca -0.10 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1x4q n SER 3 Cb 0.36 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 1x4q n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4q n GLY 4 N 2.78 3.24 2.38 0.46 0.00 -1.26 -4.93 105.19 107.86 1x4q n GLY 4 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 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 0.52 -0.86 -3.55 1.61 7.64 -1.26 -5.01 113.62 112.71 1x4q n SER 5 Ca 0.00 1.13 -0.06 0.00 1.01 0.00 0.00 58.87 60.95 1x4q n SER 5 Cb 0.00 -4.52 -0.02 0.00 -1.01 0.00 0.00 64.21 58.66 1x4q n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4q s SER 6 N -0.54 -0.25 0.27 6.43 1.04 -1.26 -5.16 113.70 114.23 1x4q s SER 6 Ca -0.23 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1x4q s SER 6 Cb 0.02 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x4q s SER 6 CO 0.63 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1x4q n GLY 7 N -0.15 -2.99 0.05 7.32 0.00 -1.26 -4.90 105.19 103.26 1x4q n GLY 7 Ca -0.04 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 1x4q n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1x4q h MET 8 N -0.56 0.00 -3.05 1.61 -1.53 -1.91 -3.50 114.93 105.99 1x4q h MET 8 Ca -0.08 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 1x4q h MET 8 Cb 0.59 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.64 1x4q h MET 8 CO 0.03 0.00 -0.66 0.00 0.14 0.00 0.00 176.91 176.42 1x4q n ALA 9 N -3.18 -2.34 -2.76 0.39 0.00 -1.26 -5.00 120.51 106.36 1x4q n ALA 9 Ca -0.04 0.33 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 1x4q n ALA 9 Cb 0.17 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1x4q n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x4q s LEU 10 N -1.03 4.12 0.56 0.00 1.43 -1.26 -5.05 118.68 117.45 1x4q s LEU 10 Ca 0.00 0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1x4q s LEU 10 Cb 0.00 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 1x4q s LEU 10 CO 0.00 -0.21 0.91 -0.44 0.23 0.00 0.00 176.35 176.84 1x4q s SER 11 N -3.98 6.17 0.54 2.29 0.01 -1.26 -4.83 113.70 112.63 1x4q s SER 11 Ca 0.38 1.14 0.34 0.00 1.31 0.00 0.00 55.95 59.11 1x4q s SER 11 Cb -0.09 -2.30 1.50 0.00 0.21 0.00 0.00 66.02 65.34 1x4q s SER 11 CO 0.33 -0.76 1.84 0.50 0.41 0.00 0.00 173.24 175.56 1x4q h LYS 12 N -0.07 0.02 0.16 12.44 3.64 -1.99 0.20 116.57 130.96 1x4q h LYS 12 Ca -0.45 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.59 1x4q h LYS 12 Cb 1.20 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1x4q h LYS 12 CO 0.62 0.01 -1.65 0.07 -2.27 0.00 0.00 179.45 176.23 1x4q h ARG 13 N 0.02 0.34 -0.50 1.90 0.11 -1.99 -3.00 114.38 111.26 1x4q h ARG 13 Ca 0.50 -0.59 0.04 0.00 0.10 0.00 0.00 59.98 60.03 1x4q h ARG 13 Cb 1.99 0.22 -0.04 0.00 1.11 0.00 0.00 29.97 33.24 1x4q h ARG 13 CO -0.02 1.24 0.27 0.93 0.10 0.00 0.00 179.97 182.49 1x4q h GLU 14 N 0.09 0.51 0.00 0.08 5.08 -1.00 -1.65 114.58 117.69 1x4q h GLU 14 Ca -0.30 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 1x4q h GLU 14 Cb 2.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.19 1x4q h GLU 14 CO 0.18 0.34 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.96 1x4q h LEU 15 N 0.53 0.00 -0.08 1.33 3.38 -1.41 -3.18 115.31 115.88 1x4q h LEU 15 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1x4q h LEU 15 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x4q h LEU 15 CO -0.14 0.50 0.04 -0.78 0.09 0.00 0.00 178.44 178.15 1x4q h ASP 16 N 0.00 0.11 0.26 -0.43 3.58 -1.17 -1.04 116.42 117.72 1x4q h ASP 16 Ca -0.00 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 1x4q h ASP 16 Cb 1.08 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 1x4q h ASP 16 CO 0.06 0.21 -0.08 1.05 -2.88 0.00 0.00 179.24 177.61 1x4q h GLU 17 N -0.01 0.00 0.02 0.28 4.11 -1.39 -1.89 114.58 115.70 1x4q h GLU 17 Ca 0.03 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.23 1x4q h GLU 17 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1x4q h GLU 17 CO -0.00 0.08 -1.06 -0.07 0.07 0.00 0.00 179.01 178.03 1x4q h LEU 18 N 0.00 0.08 -0.53 3.06 3.38 -1.41 -3.30 115.31 116.59 1x4q h LEU 18 Ca -0.00 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1x4q h LEU 18 Cb 0.23 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 1x4q h LEU 18 CO 0.01 1.06 -0.53 0.50 0.09 0.00 0.00 178.44 179.57 1x4q h LYS 19 N 0.01 -0.29 0.00 1.13 3.64 -0.35 1.02 116.57 121.74 1x4q h LYS 19 Ca -0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1x4q h LYS 19 Cb 1.81 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 1x4q h LYS 19 CO 0.14 -0.19 0.00 -0.35 -2.27 0.00 0.00 179.45 176.78 1x4q n PRO 20 N -5.37 0.13 0.01 1.90 -0.04 -1.25 -0.84 135.00 129.54 1x4q n PRO 20 Ca -0.01 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1x4q n PRO 20 Cb 0.33 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 1x4q n PRO 20 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1x4q n TRP 21 N -2.00 0.76 -0.06 0.54 -0.00 0.14 -4.02 117.44 112.81 1x4q n TRP 21 Ca 0.02 0.25 -0.10 0.00 -0.00 0.00 0.00 57.50 57.67 1x4q n TRP 21 Cb 0.21 -1.01 -0.15 0.00 -0.00 0.00 0.00 31.31 30.35 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 -2.80 1.52 0.26 5.87 5.41 0.31 -3.14 119.36 126.78 1x4q n ILE 22 Ca -0.12 -0.81 0.11 0.00 1.00 0.00 0.00 62.75 62.94 1x4q n ILE 22 Cb 0.84 -0.85 0.70 0.00 -0.71 0.00 0.00 39.64 39.63 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 0.00 0.00 0.06 0.38 5.08 -1.17 -1.27 114.58 117.66 1x4q h GLU 23 Ca -0.42 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.58 1x4q h GLU 23 Cb 2.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.32 1x4q h GLU 23 CO 0.05 0.11 -2.12 0.36 -1.00 0.00 0.00 179.01 176.41 1x4q n LYS 24 N -3.87 0.70 0.17 2.33 2.85 -1.26 -4.19 118.16 114.90 1x4q n LYS 24 Ca -0.02 0.21 -0.14 0.00 -1.05 0.00 0.00 58.31 57.30 1x4q n LYS 24 Cb 0.21 -1.65 -0.08 0.00 -0.65 0.00 0.00 35.03 32.85 1x4q n LYS 24 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1x4q h THR 25 N 0.03 0.73 -0.68 0.58 2.02 -1.45 -2.43 112.91 111.72 1x4q h THR 25 Ca -0.46 -0.23 0.20 0.00 0.77 0.00 0.00 66.41 66.69 1x4q h THR 25 Cb 2.02 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 1x4q h THR 25 CO 0.03 0.05 0.63 0.58 0.37 0.00 0.00 175.52 177.18 1x4q h VAL 26 N -0.52 0.38 -0.02 3.16 2.07 -1.45 0.62 116.25 120.48 1x4q h VAL 26 Ca -0.04 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.31 1x4q h VAL 26 Cb 0.39 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1x4q h VAL 26 CO 0.07 0.00 -0.76 0.50 0.02 0.00 0.00 177.57 177.40 1x4q h LYS 27 N 0.00 0.19 0.02 1.57 3.64 -1.60 -2.45 116.57 117.94 1x4q h LYS 27 Ca 0.32 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1x4q h LYS 27 Cb 1.57 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1x4q h LYS 27 CO -0.00 0.86 -0.48 0.00 -2.27 0.00 0.00 179.45 177.56 1x4q h ARG 28 N 0.12 0.28 0.06 1.90 2.47 0.38 1.29 114.38 120.88 1x4q h ARG 28 Ca -0.03 -0.33 -0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1x4q h ARG 28 Cb 1.33 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 1x4q h ARG 28 CO 0.11 1.06 -0.03 0.28 0.56 0.00 0.00 179.97 181.95 1x4q h VAL 29 N -0.35 0.96 0.05 2.04 2.07 -1.34 -3.18 116.25 116.50 1x4q h VAL 29 Ca -0.07 -0.05 -0.29 0.00 0.82 0.00 0.00 66.70 67.12 1x4q h VAL 29 Cb 1.24 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1x4q h VAL 29 CO 0.09 0.01 -1.53 -0.07 0.02 0.00 0.00 177.57 176.10 1x4q h LEU 30 N -0.10 0.17 0.00 2.57 3.38 -1.56 -3.48 115.31 116.29 1x4q h LEU 30 Ca -0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1x4q h LEU 30 Cb 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1x4q h LEU 30 CO 0.01 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.38 1x4q n GLY 31 N 1.59 0.86 0.00 0.83 0.00 0.44 -4.78 105.19 104.13 1x4q n GLY 31 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.06 1.61 1.16 -1.10 -4.89 117.46 112.18 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 -1.53 -2.01 -4.21 5.98 2.88 -1.25 -4.85 113.62 108.64 1x4q n SER 33 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1x4q n SER 33 Cb 0.31 0.75 -0.16 0.00 -0.75 0.00 0.00 64.21 64.36 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 -3.88 2.03 0.07 -1.46 2.56 -1.26 -4.94 118.70 111.82 1x4q s GLU 34 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 54.97 54.03 1x4q s GLU 34 Cb 0.00 -1.80 -0.12 0.00 2.00 0.00 0.00 34.13 34.21 1x4q s GLU 34 CO 0.00 0.36 1.38 -1.00 -0.56 0.00 0.00 175.26 175.44 1x4q h PRO 35 N 5.98 0.51 0.00 4.30 0.13 -1.99 -2.63 132.00 138.29 1x4q h PRO 35 Ca -0.35 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.49 1x4q h PRO 35 Cb 1.16 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x4q h PRO 35 CO 0.47 0.85 -0.11 0.00 -0.23 0.00 0.00 178.00 178.98 1x4q h THR 36 N 0.19 1.01 -0.05 1.56 1.03 -2.00 -2.72 112.91 111.93 1x4q h THR 36 Ca 0.03 -0.39 -0.11 0.00 -0.01 0.00 0.00 66.41 65.93 1x4q h THR 36 Cb 0.75 1.22 0.01 0.00 -1.07 0.00 0.00 68.15 69.05 1x4q h THR 36 CO 0.05 0.11 -0.38 0.58 -0.01 0.00 0.00 175.52 175.87 1x4q h VAL 37 N 0.00 1.44 -1.02 0.00 2.07 -1.90 -2.59 116.25 114.25 1x4q h VAL 37 Ca -0.00 -1.83 0.28 0.00 0.82 0.00 0.00 66.70 65.97 1x4q h VAL 37 Cb 0.21 2.42 -0.13 0.00 -1.52 0.00 0.00 31.29 32.27 1x4q h VAL 37 CO 0.01 0.53 0.61 0.58 0.02 0.00 0.00 177.57 179.32 1x4q h VAL 38 N -0.17 0.45 0.05 2.57 2.07 -1.14 -0.27 116.25 119.81 1x4q h VAL 38 Ca -0.03 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1x4q h VAL 38 Cb 1.05 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1x4q h VAL 38 CO 0.08 0.08 -0.55 0.74 0.02 0.00 0.00 177.57 177.94 1x4q h THR 39 N 0.46 1.52 -0.13 2.57 2.02 -1.57 -2.89 112.91 114.89 1x4q h THR 39 Ca 0.67 -2.25 0.04 0.00 0.77 0.00 0.00 66.41 65.64 1x4q h THR 39 Cb 1.45 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 70.80 1x4q h THR 39 CO -0.49 0.63 0.41 0.00 0.37 0.00 0.00 175.52 176.44 1x4q h ALA 40 N 0.18 1.62 0.00 6.16 0.00 -0.67 -0.68 119.26 125.87 1x4q h ALA 40 Ca -0.08 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1x4q h ALA 40 Cb 1.34 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1x4q h ALA 40 CO 0.11 -0.48 -1.14 0.00 0.00 0.00 0.00 179.25 177.74 1x4q h ALA 41 N 1.30 0.23 -0.84 0.00 0.00 -1.31 -3.22 119.26 115.41 1x4q h ALA 41 Ca 0.06 -1.13 0.13 0.00 0.00 0.00 0.00 54.91 53.97 1x4q h ALA 41 Cb 0.89 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 1x4q h ALA 41 CO -0.00 0.64 0.55 -0.07 0.00 0.00 0.00 179.25 180.37 1x4q h LEU 42 N -1.00 0.63 -0.24 0.00 3.38 -1.06 -1.45 115.31 115.57 1x4q h LEU 42 Ca -0.31 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1x4q h LEU 42 Cb 1.24 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1x4q h LEU 42 CO -0.19 0.34 -0.24 -1.13 0.09 0.00 0.00 178.44 177.32 1x4q h ASN 43 N 0.68 0.63 0.00 -0.43 -0.73 -1.34 -2.17 115.58 112.23 1x4q h ASN 43 Ca 0.41 -0.47 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1x4q h ASN 43 Cb 0.62 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1x4q h ASN 43 CO -0.17 0.97 0.00 0.00 -0.37 0.00 0.00 177.43 177.86 1x4q h VAL 45 N 0.00 0.73 -0.07 0.00 -1.51 -1.61 0.17 116.25 113.96 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 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.13 1x4q h VAL 45 CO 0.00 0.13 -0.21 1.23 -1.23 0.00 0.00 177.57 177.49 1x4q h GLY 46 N 0.69 0.13 -3.02 5.19 0.00 -0.96 -2.05 103.07 103.06 1x4q h GLY 46 Ca 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1x4q h GLY 46 CO -0.30 0.08 0.00 1.17 0.00 0.00 0.00 176.54 177.49 1x4q n LYS 47 N -4.24 3.99 -1.19 4.80 4.81 0.12 -4.14 118.16 122.32 1x4q n LYS 47 Ca -0.02 -2.61 -0.10 0.00 -0.87 0.00 0.00 58.31 54.72 1x4q n LYS 47 Cb 0.30 -2.04 -0.04 0.00 0.02 0.00 0.00 35.03 33.27 1x4q n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x4q n GLY 48 N 0.70 0.91 3.15 3.14 0.00 -0.77 -4.89 105.19 107.43 1x4q n GLY 48 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.87 -0.05 -4.19 1.61 2.81 -0.59 -4.80 117.12 111.04 1x4q n MET 49 Ca -0.10 -0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.47 1x4q n MET 49 Cb 0.48 -1.26 -0.08 0.00 -0.71 0.00 0.00 33.22 31.65 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 -1.27 5.26 0.40 7.83 1.11 -1.26 -4.83 116.67 123.92 1x4q s ASP 50 Ca 0.47 -0.00 0.32 0.00 0.18 0.00 0.00 52.55 53.52 1x4q s ASP 50 Cb -0.23 -1.39 1.33 0.00 1.07 0.00 0.00 42.92 43.71 1x4q s ASP 50 CO 0.76 0.25 1.33 0.29 1.18 0.00 0.00 175.17 178.99 1x4q n LYS 51 N 1.11 -0.02 0.26 8.23 5.02 -1.26 0.08 118.16 131.58 1x4q n LYS 51 Ca -0.13 1.03 -0.11 0.00 -2.02 0.00 0.00 58.31 57.09 1x4q n LYS 51 Cb 0.52 -2.12 -0.05 0.00 -0.02 0.00 0.00 35.03 33.36 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 -0.67 0.44 1.97 1.57 -2.01 -2.87 116.57 115.01 1x4q h LYS 52 Ca 0.77 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.58 1x4q h LYS 52 Cb 2.65 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 35.10 1x4q h LYS 52 CO -0.29 -0.45 -0.37 0.87 -0.57 0.00 0.00 179.45 178.64 1x4q h LYS 53 N -1.01 -0.78 -0.96 3.15 1.57 -0.74 -2.94 116.57 114.86 1x4q h LYS 53 Ca -0.07 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1x4q h LYS 53 Cb 0.53 0.18 -0.14 0.00 0.08 0.00 0.00 32.23 32.88 1x4q h LYS 53 CO 0.12 -0.52 -0.45 0.00 -0.57 0.00 0.00 179.45 178.03 1x4q n ALA 54 N -2.65 -0.32 -0.26 3.86 0.00 0.10 -0.27 120.51 120.96 1x4q n ALA 54 Ca -0.11 0.89 -0.04 0.00 0.00 0.00 0.00 53.44 54.18 1x4q n ALA 54 Cb 0.38 -0.30 0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 0.97 -0.02 -0.45 0.00 0.00 -1.32 0.65 119.26 119.08 1x4q h ALA 55 Ca 0.26 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.38 1x4q h ALA 55 Cb 0.50 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1x4q h ALA 55 CO -0.93 -0.68 0.30 0.22 0.00 0.00 0.00 179.25 178.16 1x4q h ASP 56 N -0.12 0.48 0.13 0.00 1.82 -0.58 0.76 116.42 118.91 1x4q h ASP 56 Ca 0.26 -0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.74 1x4q h ASP 56 Cb 0.56 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1x4q h ASP 56 CO -0.78 0.34 -0.52 -0.74 -1.61 0.00 0.00 179.24 175.93 1x4q h HIS 57 N 0.56 0.54 -0.57 0.28 2.76 0.15 -2.97 115.15 115.90 1x4q h HIS 57 Ca 0.17 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1x4q h HIS 57 Cb 0.01 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1x4q h HIS 57 CO -0.00 0.86 0.00 1.28 -1.30 0.00 0.00 177.93 178.77 1x4q n LEU 58 N -3.96 3.72 0.44 0.26 4.77 0.98 -4.52 117.00 118.69 1x4q n LEU 58 Ca -0.02 -1.77 -0.17 0.00 -0.03 0.00 0.00 56.01 54.01 1x4q n LEU 58 Cb 0.58 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1x4q n LEU 58 CO 0.45 0.87 0.45 0.11 -1.33 0.00 0.00 177.39 177.94 1x4q h LYS 59 N 4.33 -1.09 0.00 3.23 1.57 0.67 0.62 116.57 125.90 1x4q h LYS 59 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1x4q h LYS 59 Cb 0.98 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1x4q h LYS 59 CO 0.00 -0.72 0.00 -0.35 -0.57 0.00 0.00 179.45 177.81 1x4q n PRO 60 N -5.52 0.23 -0.09 3.15 -0.04 -1.26 0.18 135.00 131.66 1x4q n PRO 60 Ca -0.14 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 1x4q n PRO 60 Cb 0.44 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1x4q n PRO 60 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4q n PHE 61 N -1.26 0.00 0.00 0.54 3.72 -1.10 -4.83 117.46 114.53 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 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 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 -2.77 0.94 0.00 4.37 4.77 0.21 -4.92 117.00 119.60 1x4q n LEU 62 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1x4q n LEU 62 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1x4q n LEU 62 CO 0.30 0.10 0.00 0.47 -1.33 0.00 0.00 177.39 176.93 1x4q n ASP 63 N -2.70 0.00 0.30 -1.43 8.00 0.47 -1.86 116.55 119.33 1x4q n ASP 63 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.69 1x4q n ASP 63 Cb 0.42 0.00 0.90 0.00 -0.02 0.00 0.00 41.12 42.41 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 -0.17 -2.24 3.32 -1.93 -2.56 116.42 112.84 1x4q h ASP 64 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1x4q h ASP 64 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1x4q h ASP 64 CO 0.00 0.00 -0.61 -1.20 -1.72 0.00 0.00 179.24 175.71 1x4q n SER 65 N -3.07 2.38 0.00 6.45 7.64 -0.78 -4.80 113.62 121.44 1x4q n SER 65 Ca -0.01 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1x4q n SER 65 Cb 0.21 -0.47 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 -0.92 0.00 -0.32 0.44 -1.04 -0.96 -2.35 114.28 109.12 1x4q n THR 66 Ca 0.24 0.26 0.27 0.00 -2.04 0.00 0.00 64.05 62.77 1x4q n THR 66 Cb 0.78 -0.94 0.59 0.00 -1.82 0.00 0.00 70.33 68.94 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 0.30 -0.00 -4.42 3.38 -1.89 0.14 115.31 112.82 1x4q h LEU 67 Ca 0.00 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1x4q h LEU 67 Cb 0.00 0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1x4q h LEU 67 CO 0.00 0.05 -0.57 -0.09 0.09 0.00 0.00 178.44 177.92 1x4q h ARG 68 N 0.26 0.39 0.00 1.13 2.43 -1.87 -3.16 114.38 113.56 1x4q h ARG 68 Ca 0.59 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1x4q h ARG 68 Cb 1.76 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 1x4q h ARG 68 CO -0.21 1.09 0.00 0.34 -1.51 0.00 0.00 179.97 179.68 1x4q n PHE 69 N -4.24 0.00 -0.45 2.20 7.35 0.28 -3.00 117.46 119.59 1x4q n PHE 69 Ca -0.10 0.00 0.38 0.00 -0.76 0.00 0.00 57.45 56.97 1x4q n PHE 69 Cb 0.66 -0.46 0.63 0.00 0.35 0.00 0.00 39.48 40.66 1x4q n PHE 69 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1x4q n VAL 70 N -1.88 -0.20 -0.15 -2.13 3.14 -0.01 0.15 118.33 117.26 1x4q n VAL 70 Ca 0.00 1.60 -0.04 0.00 -2.96 0.00 0.00 64.34 62.94 1x4q n VAL 70 Cb 0.00 -2.62 0.05 0.00 -1.06 0.00 0.00 33.84 30.21 1x4q n VAL 70 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1x4q h ASP 71 N 0.00 0.26 -0.14 6.55 1.82 -1.50 -2.11 116.42 121.30 1x4q h ASP 71 Ca 0.80 0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 57.37 1x4q h ASP 71 Cb 2.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.69 1x4q h ASP 71 CO -0.37 0.18 -0.36 0.11 -1.61 0.00 0.00 179.24 177.20 1x4q h LYS 72 N 0.41 0.49 -0.27 0.28 1.79 0.15 -3.17 116.57 116.25 1x4q h LYS 72 Ca 0.22 -0.34 0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1x4q h LYS 72 Cb 0.18 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.81 1x4q h LYS 72 CO -0.19 0.95 -0.48 1.25 -1.08 0.00 0.00 179.45 179.91 1x4q h LEU 73 N 0.11 -1.57 -0.71 2.94 5.85 -1.09 0.66 115.31 121.50 1x4q h LEU 73 Ca -0.00 0.20 0.16 0.00 0.84 0.00 0.00 57.88 59.07 1x4q h LEU 73 Cb 0.96 0.63 -0.11 0.00 0.37 0.00 0.00 40.66 42.51 1x4q h LEU 73 CO 0.08 -0.37 0.10 -0.26 -0.34 0.00 0.00 178.44 177.64 1x4q h PHE 74 N -0.40 0.13 0.00 1.25 -1.00 -1.49 0.64 116.94 116.07 1x4q h PHE 74 Ca 0.05 0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1x4q h PHE 74 Cb 0.54 0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.15 1x4q h PHE 74 CO -0.66 -0.14 -0.11 1.49 -1.61 0.00 0.00 178.31 177.28 1x4q h GLU 75 N 0.19 0.00 -0.64 1.51 4.22 -1.14 -2.99 114.58 115.74 1x4q h GLU 75 Ca 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.83 1x4q h GLU 75 Cb 0.67 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1x4q h GLU 75 CO -0.55 0.11 0.39 0.00 -2.18 0.00 0.00 179.01 176.78 1x4q h ALA 76 N 1.89 0.82 -1.22 2.92 0.00 0.62 -2.27 119.26 122.02 1x4q h ALA 76 Ca -0.00 -0.08 0.40 0.00 0.00 0.00 0.00 54.91 55.23 1x4q h ALA 76 Cb 0.53 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 17.93 1x4q h ALA 76 CO 0.01 0.29 0.77 0.28 0.00 0.00 0.00 179.25 180.61 1x4q h VAL 77 N 0.87 0.17 0.00 0.00 2.07 -1.36 1.66 116.25 119.67 1x4q h VAL 77 Ca 0.23 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1x4q h VAL 77 Cb -0.02 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1x4q h VAL 77 CO -0.04 0.02 -1.13 -0.62 0.02 0.00 0.00 177.57 175.82 1x4q n GLU 78 N -4.78 0.61 -0.05 1.57 -0.58 -0.93 -3.10 120.64 113.38 1x4q n GLU 78 Ca 0.35 0.11 -0.01 0.00 -0.42 0.00 0.00 57.16 57.19 1x4q n GLU 78 Cb 1.31 -1.80 -0.01 0.00 -0.57 0.00 0.00 31.44 30.37 1x4q n GLU 78 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1x4q h GLU 79 N 0.00 -0.01 -0.59 3.49 4.57 0.27 -0.29 114.58 122.03 1x4q h GLU 79 Ca -0.02 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 1x4q h GLU 79 Cb 1.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1x4q h GLU 79 CO 0.01 0.08 0.07 0.78 -1.18 0.00 0.00 179.01 178.77 1x4q h GLY 80 N -1.00 1.03 0.00 1.92 0.00 -0.28 -3.33 103.07 101.41 1x4q h GLY 80 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1x4q h GLY 80 CO 0.00 0.63 -0.18 3.21 0.00 0.00 0.00 176.54 180.20 1x4q h ARG 81 N 0.90 0.00 0.00 4.80 3.08 -1.67 -3.47 114.38 118.02 1x4q h ARG 81 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1x4q h ARG 81 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1x4q h ARG 81 CO 0.01 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.36 1x4q n SER 82 N -4.58 0.00 0.00 7.04 2.88 -0.12 -4.72 113.62 114.12 1x4q n SER 82 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1x4q n SER 82 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 3.06 0.00 -3.09 -3.46 2.88 -1.26 -4.42 113.62 107.33 1x4q n SER 83 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1x4q n SER 83 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1x4q n SER 83 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1x4q s ARG 84 N 0.00 0.89 0.09 -1.46 0.52 -1.26 -5.05 118.95 112.68 1x4q s ARG 84 Ca 0.00 -0.54 -0.36 0.00 -0.52 0.00 0.00 55.73 54.32 1x4q s ARG 84 Cb 0.00 0.01 -0.17 0.00 0.52 0.00 0.00 34.95 35.31 1x4q s ARG 84 CO 0.00 -1.23 1.55 1.25 0.02 0.00 0.00 175.30 176.89 1x4q h HIS 85 N 6.40 -1.42 -3.44 -0.53 -0.00 -1.94 -3.41 115.15 110.80 1x4q h HIS 85 Ca 0.06 0.01 -0.66 0.00 -0.00 0.00 0.00 60.37 59.78 1x4q h HIS 85 Cb 1.15 0.56 -0.21 0.00 -0.00 0.00 0.00 27.41 28.91 1x4q h HIS 85 CO 0.14 -0.67 -0.69 -1.54 -0.00 0.00 0.00 177.93 175.17 1x4q s SER 86 N -4.38 4.61 -0.14 3.26 1.04 -1.26 -5.06 113.70 111.77 1x4q s SER 86 Ca -0.18 -0.12 -0.29 0.00 0.48 0.00 0.00 55.95 55.85 1x4q s SER 86 Cb 0.04 -1.52 -0.06 0.00 0.10 0.00 0.00 66.02 64.58 1x4q s SER 86 CO 0.60 0.24 2.06 -0.44 0.98 0.00 0.00 173.24 176.68 1x4q s SER 87 N -0.09 5.90 0.28 7.02 0.01 -1.26 -4.94 113.70 120.62 1x4q s SER 87 Ca 0.01 2.10 -0.29 0.00 1.31 0.00 0.00 55.95 59.08 1x4q s SER 87 Cb -0.13 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.48 1x4q s SER 87 CO 0.03 -1.58 1.23 -0.83 0.41 0.00 0.00 173.24 172.50 1x4q s GLY 88 N 6.51 2.90 0.30 3.44 0.00 -1.26 -4.91 107.32 114.30 1x4q s GLY 88 Ca 0.93 1.09 0.25 0.00 0.00 0.00 0.00 44.72 46.99 1x4q s GLY 88 CO 0.37 1.80 1.75 -0.56 0.00 0.00 0.00 173.10 176.46 1x4q h PRO 89 N 4.02 0.00 -4.60 2.90 0.13 -2.05 -3.45 132.00 128.96 1x4q h PRO 89 Ca -0.47 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.27 1x4q h PRO 89 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1x4q h PRO 89 CO 0.69 0.00 -0.37 0.45 -0.23 0.00 0.00 178.00 178.53 1x4q s SER 90 N -4.46 1.37 -0.88 1.44 0.15 -1.26 -5.10 113.70 104.96 1x4q s SER 90 Ca 0.04 -1.65 -0.05 0.00 0.70 0.00 0.00 55.95 54.98 1x4q s SER 90 Cb 0.09 0.60 0.22 0.00 -1.71 0.00 0.00 66.02 65.22 1x4q s SER 90 CO 0.41 -1.16 0.79 -0.55 1.20 0.00 0.00 173.24 173.93 1x4q s SER 91 N -3.32 6.22 0.00 5.45 0.15 -1.26 -5.18 113.70 115.76 1x4q s SER 91 Ca 0.37 -3.42 0.00 0.00 0.70 0.00 0.00 55.95 53.60 1x4q s SER 91 Cb 0.01 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1x4q s SER 91 CO 0.25 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.01