#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 -0.25 0.14 1.61 1.04 -1.26 -5.18 113.70 109.80 1x4q s SER 2 Ca 0.00 0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.87 1x4q s SER 2 Cb 0.00 1.22 -0.04 0.00 0.10 0.00 0.00 66.02 67.30 1x4q s SER 2 CO 0.00 -0.05 -0.06 -0.44 0.98 0.00 0.00 173.24 173.67 1x4q s SER 3 N 1.79 4.56 -0.48 7.02 0.01 -1.26 -5.08 113.70 120.26 1x4q s SER 3 Ca -0.04 -0.40 0.06 0.00 1.31 0.00 0.00 55.95 56.89 1x4q s SER 3 Cb -0.03 -0.91 0.23 0.00 0.21 0.00 0.00 66.02 65.52 1x4q s SER 3 CO -0.15 0.14 0.80 0.61 0.41 0.00 0.00 173.24 175.05 1x4q n GLY 4 N 0.33 0.34 3.33 3.44 0.00 -1.26 -5.13 105.19 106.24 1x4q n GLY 4 Ca -0.12 -0.06 -0.49 0.00 0.00 0.00 0.00 46.02 45.35 1x4q n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4q n SER 5 N 1.89 -0.89 -0.08 1.61 3.41 -1.26 -4.90 113.62 113.39 1x4q n SER 5 Ca 0.13 1.11 -0.13 0.00 -0.26 0.00 0.00 58.87 59.71 1x4q n SER 5 Cb 0.60 -0.92 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 1x4q n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x4q n SER 6 N 1.81 2.22 0.00 4.04 3.41 -1.26 -5.04 113.62 118.80 1x4q n SER 6 Ca 0.18 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1x4q n SER 6 Cb 0.20 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1x4q n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4q n GLY 7 N 2.46 0.95 7.00 5.00 0.00 -1.26 -5.08 105.19 114.27 1x4q n GLY 7 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1x4q n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1x4q n MET 8 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.93 117.12 112.54 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 0.20 1.33 -2.62 3.17 0.00 0.82 -4.58 120.51 118.83 1x4q n ALA 9 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1x4q n ALA 9 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -4.54 3.18 0.68 0.00 1.43 -1.25 -5.07 118.68 113.11 1x4q s LEU 10 Ca 0.00 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1x4q s LEU 10 Cb 0.00 -1.93 0.08 0.00 0.03 0.00 0.00 46.19 44.37 1x4q s LEU 10 CO 0.00 0.16 0.96 -0.94 0.23 0.00 0.00 176.35 176.76 1x4q s SER 11 N -2.38 4.69 0.58 2.29 1.04 -1.26 -4.80 113.70 113.86 1x4q s SER 11 Ca 0.24 0.07 0.29 0.00 0.48 0.00 0.00 55.95 57.03 1x4q s SER 11 Cb -0.11 -0.67 1.76 0.00 0.10 0.00 0.00 66.02 67.10 1x4q s SER 11 CO 0.16 -1.62 2.23 0.50 0.98 0.00 0.00 173.24 175.48 1x4q h LYS 12 N -0.46 0.00 0.00 4.02 3.64 -2.00 0.42 116.57 122.19 1x4q h LYS 12 Ca -0.41 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.82 1x4q h LYS 12 Cb 1.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1x4q h LYS 12 CO 0.51 0.02 -0.96 0.07 -2.27 0.00 0.00 179.45 176.82 1x4q h ARG 13 N 0.00 0.00 0.00 1.90 0.11 -1.99 -3.00 114.38 111.39 1x4q h ARG 13 Ca -0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1x4q h ARG 13 Cb 0.05 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 1x4q h ARG 13 CO 0.00 0.45 -0.26 0.93 0.10 0.00 0.00 179.97 181.20 1x4q h GLU 14 N 0.00 0.00 -0.02 0.08 4.39 -1.51 -3.34 114.58 114.18 1x4q h GLU 14 Ca -0.08 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1x4q h GLU 14 Cb 1.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.16 1x4q h GLU 14 CO 0.06 0.98 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.66 1x4q h LEU 15 N -1.00 0.03 -1.06 1.33 3.38 -1.14 -2.47 115.31 114.37 1x4q h LEU 15 Ca -0.07 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1x4q h LEU 15 Cb 1.05 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1x4q h LEU 15 CO -0.04 0.20 0.62 -0.78 0.09 0.00 0.00 178.44 178.53 1x4q h ASP 16 N 0.03 0.95 0.57 -0.43 3.58 -1.64 0.17 116.42 119.65 1x4q h ASP 16 Ca 0.01 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1x4q h ASP 16 Cb 0.32 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1x4q h ASP 16 CO 0.02 0.57 0.00 -0.33 -2.88 0.00 0.00 179.24 176.62 1x4q h GLU 17 N 1.05 0.00 0.04 0.28 4.39 -1.56 -2.43 114.58 116.36 1x4q h GLU 17 Ca 0.44 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.85 1x4q h GLU 17 Cb 0.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1x4q h GLU 17 CO -0.20 0.00 -1.66 -0.07 -1.16 0.00 0.00 179.01 175.92 1x4q h LEU 18 N 0.00 0.12 -0.84 1.33 3.38 -0.77 -3.35 115.31 115.18 1x4q h LEU 18 Ca 0.00 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1x4q h LEU 18 Cb 0.29 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 1x4q h LEU 18 CO 0.00 1.20 -0.55 0.50 0.09 0.00 0.00 178.44 179.68 1x4q h LYS 19 N 0.02 -0.10 0.00 1.13 3.64 -0.84 1.20 116.57 121.61 1x4q h LYS 19 Ca -0.28 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1x4q h LYS 19 Cb 1.99 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 1x4q h LYS 19 CO 0.10 -0.07 0.00 -0.35 -2.27 0.00 0.00 179.45 176.86 1x4q n PRO 20 N -5.31 0.05 -0.01 1.90 -0.04 -1.26 -0.70 135.00 129.63 1x4q n PRO 20 Ca 0.02 0.30 -0.01 0.00 -0.04 0.00 0.00 63.50 63.76 1x4q n PRO 20 Cb 0.30 -1.59 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.58 -0.06 0.54 -0.00 0.34 -4.14 117.44 113.02 1x4q n TRP 21 Ca 0.03 0.20 -0.19 0.00 -0.00 0.00 0.00 57.50 57.54 1x4q n TRP 21 Cb 0.18 -0.97 -0.13 0.00 -0.00 0.00 0.00 31.31 30.38 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 -2.76 1.64 -0.04 5.87 5.41 0.28 -3.23 119.36 126.52 1x4q n ILE 22 Ca -0.15 -0.64 0.20 0.00 1.00 0.00 0.00 62.75 63.16 1x4q n ILE 22 Cb 0.88 -1.52 0.65 0.00 -0.71 0.00 0.00 39.64 38.95 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 0.04 0.08 0.03 0.38 5.08 -1.11 0.15 114.58 119.23 1x4q h GLU 23 Ca -0.49 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.55 1x4q h GLU 23 Cb 1.99 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.17 1x4q h GLU 23 CO 0.01 0.05 -1.79 0.36 -1.00 0.00 0.00 179.01 176.64 1x4q n LYS 24 N -4.39 0.66 -0.10 2.33 2.85 -1.26 -3.87 118.16 114.38 1x4q n LYS 24 Ca 0.11 0.28 -0.11 0.00 -1.05 0.00 0.00 58.31 57.54 1x4q n LYS 24 Cb 0.60 -1.77 -0.03 0.00 -0.65 0.00 0.00 35.03 33.18 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 0.02 1.27 -0.07 0.58 2.02 -1.13 -2.75 112.91 112.85 1x4q h THR 25 Ca -0.32 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 1x4q h THR 25 Cb 2.02 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1x4q h THR 25 CO 0.08 0.34 0.00 0.58 0.37 0.00 0.00 175.52 176.89 1x4q h VAL 26 N 0.35 1.05 0.00 3.16 2.07 -0.94 -0.26 116.25 121.68 1x4q h VAL 26 Ca 0.08 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1x4q h VAL 26 Cb 0.52 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1x4q h VAL 26 CO 0.02 0.06 -0.19 0.50 0.02 0.00 0.00 177.57 177.98 1x4q h LYS 27 N 0.09 0.00 0.12 1.57 3.64 -1.62 -2.28 116.57 118.10 1x4q h LYS 27 Ca 0.02 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.12 1x4q h LYS 27 Cb 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1x4q h LYS 27 CO 0.00 0.19 -1.48 0.00 -2.27 0.00 0.00 179.45 175.90 1x4q h ARG 28 N 0.00 0.26 -0.10 1.90 2.47 -0.83 0.13 114.38 118.21 1x4q h ARG 28 Ca -0.00 -0.44 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 1x4q h ARG 28 Cb 0.89 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1x4q h ARG 28 CO 0.02 1.21 0.01 0.28 0.56 0.00 0.00 179.97 182.06 1x4q h VAL 29 N -0.25 1.22 0.04 2.04 2.07 -1.19 -3.27 116.25 116.90 1x4q h VAL 29 Ca -0.31 -0.69 -0.30 0.00 0.82 0.00 0.00 66.70 66.21 1x4q h VAL 29 Cb 1.80 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 1x4q h VAL 29 CO 0.07 0.20 -1.67 -0.07 0.02 0.00 0.00 177.57 176.12 1x4q h LEU 30 N -0.07 0.14 0.00 2.57 3.38 -1.59 -3.48 115.31 116.25 1x4q h LEU 30 Ca 0.03 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1x4q h LEU 30 Cb 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1x4q h LEU 30 CO 0.00 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.37 1x4q n GLY 31 N 1.64 2.41 0.01 0.83 0.00 0.44 -4.77 105.19 105.75 1x4q n GLY 31 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.33 1.61 1.16 -1.22 -4.86 117.46 111.82 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 -0.14 0.00 0.00 -1.61 0.00 0.00 39.48 37.73 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 -2.16 -1.91 -4.32 5.98 2.88 -1.25 -4.84 113.62 107.99 1x4q n SER 33 Ca -0.05 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.17 1x4q n SER 33 Cb 0.59 -0.38 -0.16 0.00 -0.75 0.00 0.00 64.21 63.52 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 -3.32 2.63 0.06 -1.46 2.56 -1.26 -4.93 118.70 112.98 1x4q s GLU 34 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 54.97 53.95 1x4q s GLU 34 Cb 0.00 -2.26 -0.12 0.00 2.00 0.00 0.00 34.13 33.75 1x4q s GLU 34 CO 0.00 0.42 1.38 -1.00 -0.56 0.00 0.00 175.26 175.49 1x4q h PRO 35 N 5.98 0.50 0.00 4.30 0.13 -2.00 -2.63 132.00 138.28 1x4q h PRO 35 Ca -0.34 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 1x4q h PRO 35 Cb 1.17 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x4q h PRO 35 CO 0.49 0.84 -0.03 0.00 -0.23 0.00 0.00 178.00 179.08 1x4q h THR 36 N 0.18 0.46 0.03 1.56 1.03 -1.97 -2.69 112.91 111.51 1x4q h THR 36 Ca 0.03 -0.12 -0.04 0.00 -0.01 0.00 0.00 66.41 66.27 1x4q h THR 36 Cb 0.75 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 1x4q h THR 36 CO 0.05 0.03 -0.17 0.58 -0.01 0.00 0.00 175.52 176.00 1x4q h VAL 37 N 0.00 1.73 -0.99 0.00 2.07 -1.85 -2.90 116.25 114.31 1x4q h VAL 37 Ca -0.00 -2.35 0.29 0.00 0.82 0.00 0.00 66.70 65.46 1x4q h VAL 37 Cb 0.08 3.32 -0.14 0.00 -1.52 0.00 0.00 31.29 33.03 1x4q h VAL 37 CO 0.00 0.62 0.55 0.58 0.02 0.00 0.00 177.57 179.34 1x4q h VAL 38 N -0.85 0.37 0.10 2.57 2.07 -1.13 -1.17 116.25 118.22 1x4q h VAL 38 Ca -0.03 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1x4q h VAL 38 Cb 1.12 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1x4q h VAL 38 CO 0.03 0.07 -0.05 0.74 0.02 0.00 0.00 177.57 178.38 1x4q h THR 39 N 0.39 1.00 -1.58 2.57 2.02 -1.64 -2.69 112.91 112.99 1x4q h THR 39 Ca 0.69 -1.33 0.46 0.00 0.77 0.00 0.00 66.41 67.00 1x4q h THR 39 Cb 1.49 1.74 -0.06 0.00 -1.74 0.00 0.00 68.15 69.57 1x4q h THR 39 CO -0.57 0.28 1.13 0.00 0.37 0.00 0.00 175.52 176.73 1x4q h ALA 40 N -0.22 3.50 0.00 6.16 0.00 -1.03 0.12 119.26 127.79 1x4q h ALA 40 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1x4q h ALA 40 Cb 0.56 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x4q h ALA 40 CO 0.02 -1.95 -0.18 0.00 0.00 0.00 0.00 179.25 177.15 1x4q h ALA 41 N 1.21 0.03 -0.92 0.00 0.00 -1.33 -2.80 119.26 115.45 1x4q h ALA 41 Ca 0.75 -0.49 0.21 0.00 0.00 0.00 0.00 54.91 55.38 1x4q h ALA 41 Cb 3.01 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 20.85 1x4q h ALA 41 CO -0.01 0.11 0.61 -0.07 0.00 0.00 0.00 179.25 179.89 1x4q h LEU 42 N -1.00 0.45 -0.02 0.00 3.38 -0.49 -0.42 115.31 117.20 1x4q h LEU 42 Ca -0.05 0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1x4q h LEU 42 Cb 0.81 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1x4q h LEU 42 CO -0.03 0.17 -0.76 -1.13 0.09 0.00 0.00 178.44 176.79 1x4q h ASN 43 N 0.44 0.71 0.00 -0.43 -0.73 -1.19 -2.45 115.58 111.93 1x4q h ASN 43 Ca 0.49 -0.73 0.00 0.00 1.87 0.00 0.00 56.30 57.93 1x4q h ASN 43 Cb 1.17 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.54 1x4q h ASN 43 CO -0.20 1.34 0.00 0.00 -0.37 0.00 0.00 177.43 178.20 1x4q h VAL 45 N 0.00 0.97 -0.52 0.00 -1.51 -1.60 -0.57 116.25 113.02 1x4q h VAL 45 Ca 0.00 -0.36 -0.03 0.00 -1.23 0.00 0.00 66.70 65.08 1x4q h VAL 45 Cb 0.00 -0.17 -0.03 0.00 -2.13 0.00 0.00 31.29 28.97 1x4q h VAL 45 CO 0.00 0.19 0.21 1.23 -1.23 0.00 0.00 177.57 177.97 1x4q h GLY 46 N 1.05 0.80 -2.57 5.19 0.00 -1.13 -1.62 103.07 104.78 1x4q h GLY 46 Ca 0.48 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1x4q h GLY 46 CO -0.23 0.37 0.00 1.17 0.00 0.00 0.00 176.54 177.85 1x4q n LYS 47 N -4.35 3.41 -1.04 4.80 0.00 0.18 -0.12 118.16 121.05 1x4q n LYS 47 Ca 0.04 -1.95 -0.07 0.00 0.00 0.00 0.00 58.31 56.33 1x4q n LYS 47 Cb 0.15 -1.97 -0.03 0.00 0.00 0.00 0.00 35.03 33.18 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 0.40 0.67 3.11 3.14 0.00 -0.61 -4.76 105.19 107.15 1x4q n GLY 48 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.66 -0.34 -4.24 1.61 2.81 -0.35 -4.98 117.12 110.96 1x4q n MET 49 Ca -0.07 -0.09 -0.31 0.00 -1.81 0.00 0.00 57.70 55.42 1x4q n MET 49 Cb 0.39 -1.26 -0.09 0.00 -0.71 0.00 0.00 33.22 31.55 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 -1.31 4.72 0.42 7.83 1.01 -1.26 -4.83 116.67 123.24 1x4q s ASP 50 Ca 0.44 -0.23 0.30 0.00 0.71 0.00 0.00 52.55 53.76 1x4q s ASP 50 Cb -0.07 -1.05 1.43 0.00 1.01 0.00 0.00 42.92 44.23 1x4q s ASP 50 CO 0.72 0.21 1.52 0.29 0.21 0.00 0.00 175.17 178.11 1x4q n LYS 51 N 0.88 -0.04 0.36 8.23 5.02 -1.26 -0.17 118.16 131.18 1x4q n LYS 51 Ca -0.13 1.24 -0.15 0.00 -2.02 0.00 0.00 58.31 57.25 1x4q n LYS 51 Cb 0.52 -2.40 -0.07 0.00 -0.02 0.00 0.00 35.03 33.06 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 -0.92 0.78 1.97 1.57 -2.01 -2.94 116.57 115.01 1x4q h LYS 52 Ca 0.85 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.66 1x4q h LYS 52 Cb 2.66 0.21 0.01 0.00 0.08 0.00 0.00 32.23 35.19 1x4q h LYS 52 CO -0.51 -0.62 -0.39 0.87 -0.57 0.00 0.00 179.45 178.24 1x4q h LYS 53 N -1.24 -1.02 -0.77 3.15 1.57 -0.99 -3.13 116.57 114.13 1x4q h LYS 53 Ca -0.10 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1x4q h LYS 53 Cb 0.74 0.23 -0.10 0.00 0.08 0.00 0.00 32.23 33.18 1x4q h LYS 53 CO 0.16 -0.68 -0.43 0.00 -0.57 0.00 0.00 179.45 177.93 1x4q n ALA 54 N -2.56 -0.42 -0.37 3.86 0.00 0.76 0.36 120.51 122.13 1x4q n ALA 54 Ca -0.15 0.67 -0.01 0.00 0.00 0.00 0.00 53.44 53.96 1x4q n ALA 54 Cb 0.43 -0.15 0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 0.50 0.20 -0.75 0.00 0.00 -1.46 1.44 119.26 119.20 1x4q h ALA 55 Ca 0.15 0.28 0.17 0.00 0.00 0.00 0.00 54.91 55.51 1x4q h ALA 55 Cb 0.34 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1x4q h ALA 55 CO -0.73 -0.60 0.51 0.22 0.00 0.00 0.00 179.25 178.64 1x4q h ASP 56 N -0.01 0.29 1.91 0.00 3.58 -0.14 1.21 116.42 123.27 1x4q h ASP 56 Ca 0.35 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 1x4q h ASP 56 Cb 0.61 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 1x4q h ASP 56 CO -0.98 0.14 -0.03 -0.74 -2.88 0.00 0.00 179.24 174.76 1x4q h HIS 57 N 0.30 0.00 -0.14 0.28 2.76 0.23 -3.18 115.15 115.40 1x4q h HIS 57 Ca 0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1x4q h HIS 57 Cb 0.99 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.95 1x4q h HIS 57 CO -0.00 0.03 0.00 1.28 -1.30 0.00 0.00 177.93 177.94 1x4q n LEU 58 N -3.11 2.43 0.38 0.26 4.77 0.14 -4.59 117.00 117.28 1x4q n LEU 58 Ca 0.04 -1.32 -0.16 0.00 -0.03 0.00 0.00 56.01 54.54 1x4q n LEU 58 Cb 0.53 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1x4q n LEU 58 CO 0.34 0.51 0.44 0.50 -1.33 0.00 0.00 177.39 177.85 1x4q h LYS 59 N 2.55 -0.96 0.00 3.23 1.63 0.12 1.21 116.57 124.35 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 0.63 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1x4q h LYS 59 CO 0.00 -0.63 0.00 -0.35 -3.45 0.00 0.00 179.45 175.02 1x4q n PRO 60 N -5.45 0.24 -0.01 1.90 -0.04 -1.26 0.15 135.00 130.53 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 0.40 -1.50 -0.07 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 -1.12 -4.88 117.46 114.47 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 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.85 0.04 0.00 4.37 4.77 0.41 -4.82 117.00 119.91 1x4q n LEU 62 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1x4q n LEU 62 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1x4q n LEU 62 CO 0.19 -0.37 0.00 0.47 -1.33 0.00 0.00 177.39 176.34 1x4q n ASP 63 N -2.52 0.00 0.16 -1.43 8.00 0.39 -1.34 116.55 119.81 1x4q n ASP 63 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1x4q n ASP 63 Cb 0.09 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 41.69 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 -0.21 -2.24 5.19 -1.91 -2.97 116.42 114.28 1x4q h ASP 64 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1x4q h ASP 64 Cb 0.00 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.41 1x4q h ASP 64 CO 0.00 0.00 -0.48 -1.20 -3.12 0.00 0.00 179.24 174.44 1x4q n SER 65 N -2.48 2.52 0.00 6.45 7.64 -0.45 -4.78 113.62 122.52 1x4q n SER 65 Ca 0.03 -3.86 0.00 0.00 1.01 0.00 0.00 58.87 56.04 1x4q n SER 65 Cb 0.30 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.04 0.00 -0.31 0.44 -1.04 -1.12 -2.66 114.28 108.55 1x4q n THR 66 Ca 0.27 0.32 0.35 0.00 -2.04 0.00 0.00 64.05 62.95 1x4q n THR 66 Cb 0.79 -1.18 0.72 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.00 0.19 -4.42 3.38 -1.87 0.62 115.31 113.21 1x4q h LEU 67 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1x4q h LEU 67 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1x4q h LEU 67 CO 0.00 0.00 -1.65 -0.09 0.09 0.00 0.00 178.44 176.79 1x4q h ARG 68 N 0.00 0.41 0.14 1.13 2.43 -1.87 -3.26 114.38 113.36 1x4q h ARG 68 Ca 0.57 -0.70 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1x4q h ARG 68 Cb 2.43 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 32.25 1x4q h ARG 68 CO -0.01 1.32 -0.07 0.35 -1.51 0.00 0.00 179.97 180.06 1x4q h PHE 69 N 0.11 -0.17 -1.63 2.20 3.04 0.26 -3.27 116.94 117.47 1x4q h PHE 69 Ca -0.31 -0.00 0.48 0.00 3.98 0.00 0.00 57.97 62.12 1x4q h PHE 69 Cb 2.11 0.06 -0.08 0.00 2.56 0.00 0.00 35.95 40.59 1x4q h PHE 69 CO 0.10 -0.11 1.16 -0.24 -2.02 0.00 0.00 178.31 177.20 1x4q h VAL 70 N -0.50 0.15 -0.81 1.41 3.04 -0.58 0.97 116.25 119.93 1x4q h VAL 70 Ca -0.02 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1x4q h VAL 70 Cb 0.14 0.13 -0.04 0.00 -2.01 0.00 0.00 31.29 29.51 1x4q h VAL 70 CO 0.03 0.00 0.45 -0.78 -1.01 0.00 0.00 177.57 176.26 1x4q h ASP 71 N 0.02 1.00 0.14 3.17 1.82 -1.61 -2.30 116.42 118.66 1x4q h ASP 71 Ca 0.81 -0.09 -0.30 0.00 -0.39 0.00 0.00 57.03 57.06 1x4q h ASP 71 Cb 3.11 -0.26 0.03 0.00 0.68 0.00 0.00 39.33 42.90 1x4q h ASP 71 CO -0.08 0.81 -1.24 0.11 -1.61 0.00 0.00 179.24 177.23 1x4q h LYS 72 N 1.12 0.60 -0.05 0.28 1.57 0.90 -3.25 116.57 117.74 1x4q h LYS 72 Ca 0.28 -0.83 0.04 0.00 -1.87 0.00 0.00 60.65 58.27 1x4q h LYS 72 Cb 0.02 0.28 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1x4q h LYS 72 CO -0.05 1.38 -0.40 1.25 -0.57 0.00 0.00 179.45 181.06 1x4q h LEU 73 N 0.22 -1.22 -0.33 2.94 5.85 -1.15 0.34 115.31 121.97 1x4q h LEU 73 Ca -0.19 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1x4q h LEU 73 Cb 1.92 0.49 -0.08 0.00 0.37 0.00 0.00 40.66 43.36 1x4q h LEU 73 CO 0.24 -0.43 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.42 1x4q h PHE 74 N -0.52 -0.60 0.00 1.25 -1.00 -1.54 0.35 116.94 114.87 1x4q h PHE 74 Ca 0.06 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1x4q h PHE 74 Cb 0.63 0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.50 1x4q h PHE 74 CO -0.43 -0.31 0.00 0.93 -1.61 0.00 0.00 178.31 176.90 1x4q h GLU 75 N -0.19 0.00 -0.59 1.51 5.08 -1.46 -2.62 114.58 116.31 1x4q h GLU 75 Ca 0.17 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1x4q h GLU 75 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1x4q h GLU 75 CO -0.44 0.00 0.05 0.00 -1.00 0.00 0.00 179.01 177.62 1x4q h ALA 76 N 2.07 0.79 -1.20 3.43 0.00 0.38 -2.66 119.26 122.06 1x4q h ALA 76 Ca 0.00 -0.28 0.40 0.00 0.00 0.00 0.00 54.91 55.03 1x4q h ALA 76 Cb 0.25 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 1x4q h ALA 76 CO 0.00 0.59 0.75 0.28 0.00 0.00 0.00 179.25 180.86 1x4q h VAL 77 N 0.91 0.17 0.00 0.00 2.07 -1.27 1.70 116.25 119.83 1x4q h VAL 77 Ca 0.17 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1x4q h VAL 77 Cb 0.49 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1x4q h VAL 77 CO 0.02 0.03 -1.08 -0.62 0.02 0.00 0.00 177.57 175.94 1x4q n GLU 78 N -4.82 0.53 -0.05 1.57 -0.58 -1.10 -3.14 120.64 113.05 1x4q n GLU 78 Ca 0.35 0.06 -0.01 0.00 -0.42 0.00 0.00 57.16 57.14 1x4q n GLU 78 Cb 1.29 -1.74 -0.01 0.00 -0.57 0.00 0.00 31.44 30.41 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 0.00 -0.32 3.49 4.57 0.26 -1.54 114.58 121.04 1x4q h GLU 79 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1x4q h GLU 79 Cb 0.93 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1x4q h GLU 79 CO 0.00 0.06 0.02 0.78 -1.18 0.00 0.00 179.01 178.69 1x4q h GLY 80 N -1.00 0.58 0.22 1.92 0.00 -0.36 -3.31 103.07 101.13 1x4q h GLY 80 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1x4q h GLY 80 CO -0.00 0.38 -0.05 3.21 0.00 0.00 0.00 176.54 180.08 1x4q h ARG 81 N 0.35 -0.12 -3.69 4.80 3.08 -1.68 -3.49 114.38 113.63 1x4q h ARG 81 Ca 0.09 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1x4q h ARG 81 Cb 0.40 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1x4q h ARG 81 CO 0.01 0.37 -0.90 0.43 -1.07 0.00 0.00 179.97 178.81 1x4q n SER 82 N -4.83 -8.59 -4.81 7.04 7.64 -0.58 -5.01 113.62 104.49 1x4q n SER 82 Ca -0.07 1.24 -0.22 0.00 1.01 0.00 0.00 58.87 60.83 1x4q n SER 82 Cb 0.27 -4.76 -0.05 0.00 -1.01 0.00 0.00 64.21 58.66 1x4q n SER 82 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4q s SER 83 N -3.33 5.28 -0.23 6.43 1.04 -1.26 -5.04 113.70 116.58 1x4q s SER 83 Ca 0.00 -0.41 -0.13 0.00 0.48 0.00 0.00 55.95 55.88 1x4q s SER 83 Cb 0.00 -1.15 -0.10 0.00 0.10 0.00 0.00 66.02 64.87 1x4q s SER 83 CO 0.00 -0.16 -0.33 0.54 0.98 0.00 0.00 173.24 174.28 1x4q n ARG 84 N -1.21 0.52 -0.32 4.02 1.74 -1.26 -4.52 116.66 115.63 1x4q n ARG 84 Ca -0.05 0.23 0.20 0.00 -0.77 0.00 0.00 57.85 57.45 1x4q n ARG 84 Cb 0.59 -1.39 0.40 0.00 -1.02 0.00 0.00 32.46 31.04 1x4q n ARG 84 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1x4q h HIS 85 N -0.91 0.53 -0.82 -1.55 2.76 -1.98 0.74 115.15 113.92 1x4q h HIS 85 Ca -0.51 0.05 0.22 0.00 -2.20 0.00 0.00 60.37 57.93 1x4q h HIS 85 Cb 1.43 -0.08 -0.15 0.00 1.55 0.00 0.00 27.41 30.16 1x4q h HIS 85 CO -0.15 -0.30 -0.01 0.43 -1.30 0.00 0.00 177.93 176.61 1x4q n SER 86 N -5.23 -0.12 -3.64 3.26 7.64 -1.26 -4.52 113.62 109.75 1x4q n SER 86 Ca 0.28 1.40 -0.08 0.00 1.01 0.00 0.00 58.87 61.48 1x4q n SER 86 Cb 0.90 -0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 1x4q n SER 86 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4q s SER 87 N -5.03 -0.53 0.00 6.43 1.04 0.25 -5.16 113.70 110.70 1x4q s SER 87 Ca -0.11 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1x4q s SER 87 Cb 0.24 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.42 1x4q s SER 87 CO 0.64 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.31 1x4q n GLY 88 N 2.77 3.05 0.00 7.32 0.00 -1.26 -4.82 105.19 112.26 1x4q n GLY 88 Ca -0.15 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.34 1x4q n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4q n PRO 89 N 0.42 0.49 -2.36 1.61 -0.04 -1.26 -4.76 135.00 129.10 1x4q n PRO 89 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1x4q n PRO 89 Cb 0.00 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1x4q n PRO 89 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4q n SER 90 N -0.98 -5.87 -2.50 3.54 7.64 -1.26 -4.93 113.62 109.26 1x4q n SER 90 Ca 0.11 1.03 -0.35 0.00 1.01 0.00 0.00 58.87 60.68 1x4q n SER 90 Cb 0.05 -4.12 0.05 0.00 -1.01 0.00 0.00 64.21 59.18 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 0.57 7.07 -0.19 6.43 7.64 -1.26 -5.20 113.62 128.68 1x4q n SER 91 Ca -0.03 -3.80 0.02 0.00 1.01 0.00 0.00 58.87 56.08 1x4q n SER 91 Cb 0.04 -0.89 0.02 0.00 -1.01 0.00 0.00 64.21 62.37 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64