#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 4.09 0.27 1.61 1.04 -1.26 -5.16 113.70 114.29 1x4q s SER 2 Ca 0.00 -1.53 0.11 0.00 0.48 0.00 0.00 55.95 55.01 1x4q s SER 2 Cb 0.00 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1x4q s SER 2 CO 0.00 -0.73 -0.14 -0.55 0.98 0.00 0.00 173.24 172.79 1x4q s SER 3 N -3.85 3.88 0.00 7.02 0.15 -1.26 -5.15 113.70 114.49 1x4q s SER 3 Ca 0.17 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1x4q s SER 3 Cb 0.04 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1x4q s SER 3 CO 0.09 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1x4q n GLY 4 N -0.61 1.14 2.78 9.45 0.00 -1.26 -5.04 105.19 111.66 1x4q n GLY 4 Ca -0.06 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 1x4q n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4q s SER 5 N -1.00 3.86 -0.13 1.61 1.04 -1.26 -4.90 113.70 112.92 1x4q s SER 5 Ca 0.00 -2.93 -0.03 0.00 0.48 0.00 0.00 55.95 53.48 1x4q s SER 5 Cb 0.00 -1.25 -0.07 0.00 0.10 0.00 0.00 66.02 64.80 1x4q s SER 5 CO 0.00 -0.23 -0.14 -1.20 0.98 0.00 0.00 173.24 172.65 1x4q n SER 6 N 3.17 1.96 0.00 7.02 7.64 -1.26 -5.05 113.62 127.10 1x4q n SER 6 Ca 0.10 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1x4q n SER 6 Cb 0.35 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1x4q n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 7 N 2.54 -1.00 0.49 0.23 0.00 -1.26 -5.06 105.19 101.13 1x4q n GLY 7 Ca -0.24 0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -1.17 -1.88 1.61 -1.53 -1.93 -3.48 114.93 106.55 1x4q h MET 8 Ca 0.00 0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 1x4q h MET 8 Cb 0.00 0.27 0.00 0.00 -0.55 0.00 0.00 31.60 31.32 1x4q h MET 8 CO 0.00 -0.78 -0.39 0.00 0.14 0.00 0.00 176.91 175.88 1x4q n ALA 9 N -2.65 -2.61 -2.93 0.39 0.00 -1.26 -5.01 120.51 106.44 1x4q n ALA 9 Ca -0.15 0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 1x4q n ALA 9 Cb 0.49 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.06 4.32 0.53 0.00 1.43 -1.22 -5.04 118.68 117.65 1x4q s LEU 10 Ca 0.00 0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1x4q s LEU 10 Cb 0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1x4q s LEU 10 CO 0.00 0.09 0.81 -0.44 0.23 0.00 0.00 176.35 177.04 1x4q s SER 11 N -3.02 5.71 0.28 2.29 0.01 -1.26 -4.82 113.70 112.90 1x4q s SER 11 Ca 0.34 0.57 -0.00 0.00 1.31 0.00 0.00 55.95 58.18 1x4q s SER 11 Cb -0.12 -1.67 0.65 0.00 0.21 0.00 0.00 66.02 65.09 1x4q s SER 11 CO 0.28 -0.91 1.64 0.50 0.41 0.00 0.00 173.24 175.16 1x4q h LYS 12 N 0.05 0.17 -0.15 12.44 1.63 -1.99 0.86 116.57 129.58 1x4q h LYS 12 Ca -0.46 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.25 1x4q h LYS 12 Cb 1.25 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1x4q h LYS 12 CO 0.59 0.11 -0.23 0.07 -3.45 0.00 0.00 179.45 176.55 1x4q h ARG 13 N 0.17 0.41 -0.45 1.90 0.11 -1.99 -1.68 114.38 112.86 1x4q h ARG 13 Ca 0.52 -0.25 0.09 0.00 0.10 0.00 0.00 59.98 60.45 1x4q h ARG 13 Cb 1.03 0.02 -0.08 0.00 1.11 0.00 0.00 29.97 32.05 1x4q h ARG 13 CO -0.67 0.83 -0.09 0.93 0.10 0.00 0.00 179.97 181.08 1x4q h GLU 14 N 0.02 0.02 -0.05 0.08 5.08 -1.28 -0.45 114.58 118.00 1x4q h GLU 14 Ca 0.01 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1x4q h GLU 14 Cb 0.80 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1x4q h GLU 14 CO 0.05 0.02 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.50 1x4q h LEU 15 N 0.02 0.15 -1.05 1.33 3.38 -1.04 -3.09 115.31 115.02 1x4q h LEU 15 Ca 0.22 -0.07 0.27 0.00 0.09 0.00 0.00 57.88 58.39 1x4q h LEU 15 Cb 0.33 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 1x4q h LEU 15 CO -0.44 0.64 0.60 -0.78 0.09 0.00 0.00 178.44 178.55 1x4q h ASP 16 N 0.11 0.60 0.53 -0.43 3.58 -0.08 0.85 116.42 121.58 1x4q h ASP 16 Ca 0.00 0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 1x4q h ASP 16 Cb 0.94 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1x4q h ASP 16 CO 0.07 0.03 -0.50 -0.33 -2.88 0.00 0.00 179.24 175.64 1x4q h GLU 17 N 0.48 0.00 0.04 0.28 5.08 -1.44 -3.04 114.58 115.98 1x4q h GLU 17 Ca 0.67 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.79 1x4q h GLU 17 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1x4q h GLU 17 CO -0.49 0.50 -1.02 -0.07 -1.00 0.00 0.00 179.01 176.92 1x4q h LEU 18 N 0.00 0.53 -0.99 1.33 3.38 0.49 -3.27 115.31 116.78 1x4q h LEU 18 Ca -0.00 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.60 1x4q h LEU 18 Cb 0.90 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 1x4q h LEU 18 CO 0.06 1.27 -0.59 0.11 0.09 0.00 0.00 178.44 179.39 1x4q h LYS 19 N 0.20 -0.01 0.00 1.13 1.57 -0.72 1.32 116.57 120.06 1x4q h LYS 19 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1x4q h LYS 19 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 1x4q h LYS 19 CO 0.18 -0.00 0.00 -0.35 -0.57 0.00 0.00 179.45 178.70 1x4q n PRO 20 N -5.25 0.13 0.03 3.15 -0.04 -1.25 -1.00 135.00 130.77 1x4q n PRO 20 Ca 0.02 0.37 0.01 0.00 -0.04 0.00 0.00 63.50 63.85 1x4q n PRO 20 Cb 0.26 -1.75 -0.09 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.99 0.89 -0.05 0.54 -0.00 0.38 -3.93 117.44 113.28 1x4q n TRP 21 Ca 0.02 0.30 -0.17 0.00 -0.00 0.00 0.00 57.50 57.65 1x4q n TRP 21 Cb 0.21 -1.05 -0.14 0.00 -0.00 0.00 0.00 31.31 30.33 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 -2.84 1.64 -0.12 5.87 5.41 0.28 -3.44 119.36 126.15 1x4q n ILE 22 Ca -0.10 -0.67 0.08 0.00 1.00 0.00 0.00 62.75 63.06 1x4q n ILE 22 Cb 0.83 -1.41 0.42 0.00 -0.71 0.00 0.00 39.64 38.77 1x4q n ILE 22 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x4q h GLU 23 N 0.03 0.57 0.14 0.38 5.08 -1.25 0.42 114.58 119.95 1x4q h GLU 23 Ca -0.46 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 57.67 1x4q h GLU 23 Cb 2.02 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 31.16 1x4q h GLU 23 CO 0.03 0.38 -0.87 1.57 -1.00 0.00 0.00 179.01 179.12 1x4q h LYS 24 N 0.59 0.34 0.75 2.33 2.10 -1.74 -3.32 116.57 117.62 1x4q h LYS 24 Ca 0.28 -0.56 -0.03 0.00 -2.00 0.00 0.00 60.65 58.34 1x4q h LYS 24 Cb 0.34 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1x4q h LYS 24 CO -0.09 1.25 -0.39 1.15 -2.00 0.00 0.00 179.45 179.38 1x4q h THR 25 N -0.27 0.21 -1.62 0.07 2.02 -1.46 -2.29 112.91 109.57 1x4q h THR 25 Ca -0.15 0.00 0.48 0.00 0.77 0.00 0.00 66.41 67.51 1x4q h THR 25 Cb 1.67 0.21 -0.08 0.00 -1.74 0.00 0.00 68.15 68.20 1x4q h THR 25 CO 0.16 0.00 1.14 0.58 0.37 0.00 0.00 175.52 177.77 1x4q h VAL 26 N -1.04 0.14 -0.10 3.16 2.07 -1.09 1.62 116.25 121.01 1x4q h VAL 26 Ca -0.10 -0.01 -0.19 0.00 0.82 0.00 0.00 66.70 67.22 1x4q h VAL 26 Cb 0.81 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1x4q h VAL 26 CO 0.15 0.01 -0.75 0.50 0.02 0.00 0.00 177.57 177.50 1x4q h LYS 27 N 0.03 0.51 0.02 1.57 3.64 -1.51 -2.01 116.57 118.82 1x4q h LYS 27 Ca 0.81 -0.42 -0.22 0.00 -1.27 0.00 0.00 60.65 59.56 1x4q h LYS 27 Cb 3.09 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 34.99 1x4q h LYS 27 CO -0.11 1.05 -0.97 -0.09 -2.27 0.00 0.00 179.45 177.06 1x4q h ARG 28 N 0.34 0.28 -0.09 1.90 2.43 0.25 1.83 114.38 121.32 1x4q h ARG 28 Ca -0.04 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 58.75 1x4q h ARG 28 Cb 1.34 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1x4q h ARG 28 CO 0.14 1.06 -0.10 0.28 -1.51 0.00 0.00 179.97 179.83 1x4q h VAL 29 N 0.15 1.36 0.00 0.20 2.07 -0.87 -3.32 116.25 115.84 1x4q h VAL 29 Ca -0.07 -1.26 -0.24 0.00 0.82 0.00 0.00 66.70 65.94 1x4q h VAL 29 Cb 1.62 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 33.34 1x4q h VAL 29 CO 0.16 0.36 -1.81 0.18 0.02 0.00 0.00 177.57 176.47 1x4q n LEU 30 N -4.66 0.56 0.00 2.57 4.77 -0.76 -4.98 117.00 114.51 1x4q n LEU 30 Ca -0.07 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1x4q n LEU 30 Cb 0.33 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1x4q n LEU 30 CO 0.37 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1x4q n GLY 31 N 1.53 2.87 0.01 -0.72 0.00 0.62 -4.75 105.19 104.75 1x4q n GLY 31 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.43 1.61 1.16 -1.18 -4.86 117.46 111.76 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 -2.14 -2.35 -4.35 5.98 2.88 -1.25 -4.85 113.62 107.54 1x4q n SER 33 Ca -0.05 0.07 -0.32 0.00 -1.33 0.00 0.00 58.87 57.24 1x4q n SER 33 Cb 0.59 -0.64 -0.15 0.00 -0.75 0.00 0.00 64.21 63.27 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 -3.19 2.87 0.13 -1.46 2.56 -1.26 -4.93 118.70 113.42 1x4q s GLU 34 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 54.97 54.08 1x4q s GLU 34 Cb 0.00 -2.39 -0.05 0.00 2.00 0.00 0.00 34.13 33.69 1x4q s GLU 34 CO 0.00 0.37 1.46 -1.00 -0.56 0.00 0.00 175.26 175.53 1x4q h PRO 35 N 6.16 0.89 0.00 4.30 0.13 -1.99 -2.67 132.00 138.82 1x4q h PRO 35 Ca -0.32 -0.48 -0.03 0.00 -0.87 0.00 0.00 66.00 64.31 1x4q h PRO 35 Cb 1.19 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x4q h PRO 35 CO 0.51 1.12 -0.13 0.00 -0.23 0.00 0.00 178.00 179.27 1x4q h THR 36 N 0.70 0.60 0.11 1.56 1.03 -1.97 -2.87 112.91 112.07 1x4q h THR 36 Ca 0.06 -0.56 -0.17 0.00 -0.01 0.00 0.00 66.41 65.72 1x4q h THR 36 Cb 0.96 1.36 0.02 0.00 -1.07 0.00 0.00 68.15 69.42 1x4q h THR 36 CO 0.09 0.12 -0.74 0.58 -0.01 0.00 0.00 175.52 175.57 1x4q h VAL 37 N 0.00 1.51 -0.75 0.00 2.07 -1.83 -2.87 116.25 114.38 1x4q h VAL 37 Ca -0.00 -2.44 0.15 0.00 0.82 0.00 0.00 66.70 65.23 1x4q h VAL 37 Cb 0.35 3.09 -0.10 0.00 -1.52 0.00 0.00 31.29 33.11 1x4q h VAL 37 CO 0.02 0.69 0.24 0.58 0.02 0.00 0.00 177.57 179.11 1x4q h VAL 38 N -0.34 0.57 -0.01 2.57 2.07 -1.25 -0.88 116.25 118.98 1x4q h VAL 38 Ca -0.12 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1x4q h VAL 38 Cb 1.55 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1x4q h VAL 38 CO 0.14 0.06 -0.01 0.74 0.02 0.00 0.00 177.57 178.52 1x4q h THR 39 N 0.34 1.40 -0.27 2.57 2.02 -1.65 -2.07 112.91 115.26 1x4q h THR 39 Ca 0.42 -1.20 0.08 0.00 0.77 0.00 0.00 66.41 66.48 1x4q h THR 39 Cb 0.69 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 1x4q h THR 39 CO -0.46 0.31 0.43 0.00 0.37 0.00 0.00 175.52 176.17 1x4q h ALA 40 N 0.50 1.86 0.00 6.16 0.00 -1.14 -1.39 119.26 125.26 1x4q h ALA 40 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1x4q h ALA 40 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1x4q h ALA 40 CO 0.00 -0.57 -0.70 0.00 0.00 0.00 0.00 179.25 177.98 1x4q h ALA 41 N 1.39 0.14 -0.89 0.00 0.00 -1.03 -3.18 119.26 115.67 1x4q h ALA 41 Ca 0.13 -0.83 0.20 0.00 0.00 0.00 0.00 54.91 54.41 1x4q h ALA 41 Cb 1.00 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1x4q h ALA 41 CO -0.00 0.41 0.59 -0.07 0.00 0.00 0.00 179.25 180.19 1x4q h LEU 42 N -1.00 0.38 -0.13 0.00 3.38 -0.58 -0.49 115.31 116.86 1x4q h LEU 42 Ca -0.18 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1x4q h LEU 42 Cb 1.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1x4q h LEU 42 CO -0.11 0.15 -0.28 -1.13 0.09 0.00 0.00 178.44 177.16 1x4q h ASN 43 N 0.38 0.48 0.12 -0.43 -0.73 -1.44 -2.03 115.58 111.93 1x4q h ASN 43 Ca 0.46 -0.56 0.00 0.00 1.87 0.00 0.00 56.30 58.07 1x4q h ASN 43 Cb 1.19 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.63 1x4q h ASN 43 CO -0.16 0.95 -0.22 0.00 -0.37 0.00 0.00 177.43 177.63 1x4q h VAL 45 N -0.37 0.94 -0.03 0.00 -1.51 -1.56 -0.41 116.25 113.31 1x4q h VAL 45 Ca -0.01 -0.21 -0.10 0.00 -1.23 0.00 0.00 66.70 65.15 1x4q h VAL 45 Cb 0.34 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 29.75 1x4q h VAL 45 CO -0.08 0.11 -0.44 1.23 -1.23 0.00 0.00 177.57 177.15 1x4q h GLY 46 N 0.62 0.07 -3.17 5.19 0.00 -0.78 -2.68 103.07 102.32 1x4q h GLY 46 Ca 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 1x4q h GLY 46 CO -0.11 0.07 0.05 1.17 0.00 0.00 0.00 176.54 177.72 1x4q n LYS 47 N -4.01 4.02 -1.00 4.80 0.00 0.16 -3.43 118.16 118.70 1x4q n LYS 47 Ca -0.02 -2.59 -0.07 0.00 0.00 0.00 0.00 58.31 55.63 1x4q n LYS 47 Cb 0.48 -2.12 -0.03 0.00 0.00 0.00 0.00 35.03 33.36 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 0.38 0.64 3.15 3.14 0.00 -0.95 -4.88 105.19 106.67 1x4q n GLY 48 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.76 -0.76 -4.31 1.61 2.81 -0.54 -4.77 117.12 110.39 1x4q n MET 49 Ca -0.07 -0.21 -0.29 0.00 -1.81 0.00 0.00 57.70 55.32 1x4q n MET 49 Cb 0.34 -1.37 -0.11 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 -1.44 3.93 0.38 7.83 1.01 -1.26 -4.86 116.67 122.26 1x4q s ASP 50 Ca 0.47 -0.54 0.22 0.00 0.71 0.00 0.00 52.55 53.41 1x4q s ASP 50 Cb -0.03 -0.57 1.36 0.00 1.01 0.00 0.00 42.92 44.69 1x4q s ASP 50 CO 0.67 0.18 1.58 0.11 0.21 0.00 0.00 175.17 177.92 1x4q h LYS 51 N 3.76 0.00 -0.15 8.23 1.57 -1.97 0.99 116.57 129.01 1x4q h LYS 51 Ca -0.50 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1x4q h LYS 51 Cb 1.17 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1x4q h LYS 51 CO 0.47 0.00 0.03 0.87 -0.57 0.00 0.00 179.45 180.25 1x4q h LYS 52 N 0.00 0.25 0.33 3.15 1.79 -2.00 -2.12 116.57 117.96 1x4q h LYS 52 Ca 0.85 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 59.24 1x4q h LYS 52 Cb 2.29 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.92 1x4q h LYS 52 CO -0.74 0.41 -0.16 0.87 -1.08 0.00 0.00 179.45 178.75 1x4q h LYS 53 N 0.04 -0.42 -0.93 3.15 1.57 0.28 -3.27 116.57 116.99 1x4q h LYS 53 Ca 0.05 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.01 1x4q h LYS 53 Cb 0.28 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 32.53 1x4q h LYS 53 CO 0.00 -0.28 -0.34 0.00 -0.57 0.00 0.00 179.45 178.26 1x4q h ALA 54 N -1.12 0.26 -0.69 3.86 0.00 0.11 0.15 119.26 121.83 1x4q h ALA 54 Ca -0.04 0.29 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1x4q h ALA 54 Cb 0.34 0.90 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1x4q h ALA 54 CO 0.07 -0.57 -0.31 0.00 0.00 0.00 0.00 179.25 178.45 1x4q h ALA 55 N 1.48 0.12 -0.49 0.00 0.00 -1.49 0.84 119.26 119.71 1x4q h ALA 55 Ca 0.36 0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.62 1x4q h ALA 55 Cb 0.62 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1x4q h ALA 55 CO -0.94 -0.60 0.35 0.22 0.00 0.00 0.00 179.25 178.27 1x4q h ASP 56 N -0.10 0.03 1.09 0.00 1.82 -0.76 0.47 116.42 118.97 1x4q h ASP 56 Ca 0.28 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.76 1x4q h ASP 56 Cb 0.56 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1x4q h ASP 56 CO -0.75 0.02 -0.78 -0.74 -1.61 0.00 0.00 179.24 175.38 1x4q h HIS 57 N 0.03 0.00 -0.07 0.28 2.76 0.98 -3.17 115.15 115.95 1x4q h HIS 57 Ca 0.23 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1x4q h HIS 57 Cb 0.89 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.85 1x4q h HIS 57 CO -0.00 0.78 0.00 1.28 -1.30 0.00 0.00 177.93 178.69 1x4q n LEU 58 N -3.38 2.64 0.46 0.26 4.77 0.48 -4.44 117.00 117.80 1x4q n LEU 58 Ca 0.00 -0.92 -0.19 0.00 -0.03 0.00 0.00 56.01 54.87 1x4q n LEU 58 Cb 0.82 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.78 1x4q n LEU 58 CO 0.44 0.46 0.57 0.50 -1.33 0.00 0.00 177.39 178.03 1x4q h LYS 59 N 4.02 -1.12 0.00 3.23 1.63 -0.19 1.50 116.57 125.63 1x4q h LYS 59 Ca 0.00 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1x4q h LYS 59 Cb 0.86 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1x4q h LYS 59 CO 0.00 -0.75 0.00 -0.35 -3.45 0.00 0.00 179.45 174.90 1x4q n PRO 60 N -5.58 0.22 -0.01 1.90 -0.04 -1.26 0.15 135.00 130.37 1x4q n PRO 60 Ca -0.15 0.14 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1x4q n PRO 60 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.28 0.00 0.00 0.54 3.72 -0.97 -4.88 117.46 114.60 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 0.12 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 -1.91 0.00 0.00 4.37 4.77 0.50 -4.78 117.00 119.95 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 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1x4q n LEU 62 CO 0.22 -0.39 0.00 0.47 -1.33 0.00 0.00 177.39 176.35 1x4q n ASP 63 N -2.30 0.00 0.26 -1.43 9.92 0.39 -1.73 116.55 121.67 1x4q n ASP 63 Ca 0.00 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.41 1x4q n ASP 63 Cb 0.00 0.00 0.61 0.00 -0.64 0.00 0.00 41.12 41.09 1x4q n ASP 63 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1x4q h ASP 64 N 0.00 0.00 -0.47 -2.24 3.32 -1.91 -2.98 116.42 112.14 1x4q h ASP 64 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1x4q h ASP 64 Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 1x4q h ASP 64 CO 0.00 0.05 -0.40 -1.20 -1.72 0.00 0.00 179.24 175.97 1x4q n SER 65 N -3.16 3.68 0.00 6.45 7.64 -0.71 -4.80 113.62 122.72 1x4q n SER 65 Ca 0.01 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1x4q n SER 65 Cb 0.35 -0.52 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 -0.94 0.00 -0.29 0.44 -1.04 -1.13 -3.38 114.28 107.95 1x4q n THR 66 Ca 0.36 0.26 0.01 0.00 -2.04 0.00 0.00 64.05 62.64 1x4q n THR 66 Cb 0.89 -1.06 0.07 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.96 -0.95 -4.42 3.38 -1.87 0.66 115.31 111.16 1x4q h LEU 67 Ca 0.00 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1x4q h LEU 67 Cb 0.00 0.56 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1x4q h LEU 67 CO 0.00 -0.28 0.63 0.08 0.09 0.00 0.00 178.44 178.96 1x4q h ARG 68 N -0.03 1.24 0.00 1.13 0.11 -1.87 -2.05 114.38 112.91 1x4q h ARG 68 Ca 0.35 -0.07 -0.00 0.00 0.10 0.00 0.00 59.98 60.36 1x4q h ARG 68 Cb 0.59 -0.28 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1x4q h ARG 68 CO -0.84 0.82 -0.00 0.35 0.10 0.00 0.00 179.97 180.40 1x4q h PHE 69 N 1.28 -0.00 -1.48 4.08 3.04 -0.15 -3.25 116.94 120.46 1x4q h PHE 69 Ca 0.35 -0.00 0.48 0.00 3.98 0.00 0.00 57.97 62.78 1x4q h PHE 69 Cb -0.14 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.27 1x4q h PHE 69 CO -0.01 -0.00 1.00 1.55 -2.02 0.00 0.00 178.31 178.83 1x4q n VAL 70 N -2.01 -0.15 -0.16 1.41 3.14 0.18 0.15 118.33 120.89 1x4q n VAL 70 Ca -0.00 1.57 -0.05 0.00 -2.96 0.00 0.00 64.34 62.90 1x4q n VAL 70 Cb 0.00 -2.59 0.05 0.00 -1.06 0.00 0.00 33.84 30.24 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 0.35 1.16 6.55 1.82 -1.40 0.31 116.42 125.21 1x4q h ASP 71 Ca 0.84 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 57.42 1x4q h ASP 71 Cb 2.94 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 42.91 1x4q h ASP 71 CO -0.28 0.24 -0.39 0.11 -1.61 0.00 0.00 179.24 177.31 1x4q h LYS 72 N 0.48 0.00 0.21 0.28 1.79 0.13 -3.10 116.57 116.36 1x4q h LYS 72 Ca 0.21 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 1x4q h LYS 72 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1x4q h LYS 72 CO -0.15 0.39 -0.10 1.25 -1.08 0.00 0.00 179.45 179.76 1x4q h LEU 73 N 0.00 -0.24 -1.68 2.94 5.85 -0.63 -0.52 115.31 121.03 1x4q h LEU 73 Ca -0.00 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.53 1x4q h LEU 73 Cb 1.07 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1x4q h LEU 73 CO 0.05 0.24 0.39 -0.26 -0.34 0.00 0.00 178.44 178.52 1x4q h PHE 74 N -0.80 0.38 0.00 1.25 -1.00 -1.05 0.22 116.94 115.95 1x4q h PHE 74 Ca -0.03 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1x4q h PHE 74 Cb 0.51 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1x4q h PHE 74 CO 0.06 0.18 -0.35 0.39 -1.61 0.00 0.00 178.31 176.98 1x4q n GLU 75 N -4.46 0.22 -0.10 1.51 -0.58 -1.17 -3.78 120.64 112.28 1x4q n GLU 75 Ca 0.10 0.11 -0.14 0.00 -0.42 0.00 0.00 57.16 56.81 1x4q n GLU 75 Cb 0.40 -1.69 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 1x4q n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4q h ALA 76 N 2.61 0.50 -1.17 0.62 0.00 0.11 -2.87 119.26 119.06 1x4q h ALA 76 Ca 0.00 -0.49 0.39 0.00 0.00 0.00 0.00 54.91 54.81 1x4q h ALA 76 Cb 0.69 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.25 1x4q h ALA 76 CO 0.00 0.67 0.72 0.28 0.00 0.00 0.00 179.25 180.92 1x4q h VAL 77 N 0.71 0.18 0.00 0.00 2.07 -1.62 1.73 116.25 119.32 1x4q h VAL 77 Ca 0.03 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1x4q h VAL 77 Cb 1.09 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1x4q h VAL 77 CO 0.11 0.03 -1.04 -0.62 0.02 0.00 0.00 177.57 176.07 1x4q n GLU 78 N -4.86 0.49 -0.05 1.57 -0.58 -1.19 -3.24 120.64 112.78 1x4q n GLU 78 Ca 0.35 0.06 -0.01 0.00 -0.42 0.00 0.00 57.16 57.13 1x4q n GLU 78 Cb 1.26 -1.72 -0.00 0.00 -0.57 0.00 0.00 31.44 30.40 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 -0.75 3.49 4.81 0.25 -1.39 114.58 120.99 1x4q h GLU 79 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1x4q h GLU 79 Cb 0.90 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1x4q h GLU 79 CO 0.00 0.00 0.34 0.78 -0.73 0.00 0.00 179.01 179.40 1x4q h GLY 80 N -0.89 1.17 0.32 1.92 0.00 -0.10 -3.20 103.07 102.29 1x4q h GLY 80 Ca 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1x4q h GLY 80 CO 0.00 0.56 -0.34 3.21 0.00 0.00 0.00 176.54 179.98 1x4q h ARG 81 N 1.06 0.14 0.00 4.80 3.08 -1.67 -3.47 114.38 118.31 1x4q h ARG 81 Ca 0.25 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1x4q h ARG 81 Cb 0.15 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1x4q h ARG 81 CO -0.03 1.08 0.00 0.45 -1.07 0.00 0.00 179.97 180.40 1x4q n SER 82 N -4.41 0.00 -3.55 7.04 2.88 -0.52 -4.70 113.62 110.36 1x4q n SER 82 Ca -0.11 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.34 1x4q n SER 82 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1x4q n SER 82 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4q s SER 83 N -0.45 -0.32 0.00 -3.46 1.04 -1.26 -4.92 113.70 104.33 1x4q s SER 83 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1x4q s SER 83 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1x4q s SER 83 CO 0.00 -0.44 0.00 0.54 0.98 0.00 0.00 173.24 174.32 1x4q n ARG 84 N 0.13 0.00 -3.32 4.02 1.74 -1.26 -5.07 116.66 112.90 1x4q n ARG 84 Ca -0.07 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.54 1x4q n ARG 84 Cb 0.60 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.01 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 0.00 3.59 0.14 -1.55 2.46 -1.26 -4.69 115.29 113.98 1x4q s HIS 85 Ca 0.00 -1.75 0.00 0.00 0.47 0.00 0.00 55.06 53.78 1x4q s HIS 85 Cb 0.00 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.64 1x4q s HIS 85 CO 0.00 -1.00 0.00 0.43 -2.47 0.00 0.00 174.74 171.70 1x4q n SER 86 N 4.41 -0.06 -4.56 9.88 7.64 -1.26 -5.00 113.62 124.67 1x4q n SER 86 Ca 0.04 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.79 1x4q n SER 86 Cb 0.45 0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.79 1x4q n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4q s SER 87 N -5.02 5.96 0.00 6.43 0.15 -1.26 -4.37 113.70 115.59 1x4q s SER 87 Ca 0.00 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1x4q s SER 87 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x4q s SER 87 CO 0.00 -1.99 0.00 0.61 1.20 0.00 0.00 173.24 173.06 1x4q n GLY 88 N 6.59 0.79 3.65 9.45 0.00 -1.26 -5.10 105.19 119.32 1x4q n GLY 88 Ca 0.30 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 4.11 -0.47 1.61 0.04 -1.26 -4.94 135.00 134.09 1x4q s PRO 89 Ca 0.00 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.04 1x4q s PRO 89 Cb 0.00 -3.94 0.19 0.00 0.04 0.00 0.00 34.50 30.79 1x4q s PRO 89 CO 0.00 -0.91 0.72 -1.12 0.04 0.00 0.00 177.00 175.73 1x4q s SER 90 N 3.18 -1.41 -0.12 6.66 0.01 -1.26 -5.14 113.70 115.61 1x4q s SER 90 Ca 0.68 -1.35 -0.19 0.00 1.31 0.00 0.00 55.95 56.39 1x4q s SER 90 Cb -0.28 1.83 -0.04 0.00 0.21 0.00 0.00 66.02 67.74 1x4q s SER 90 CO 0.25 -0.09 0.53 -0.55 0.41 0.00 0.00 173.24 173.80 1x4q s SER 91 N 1.20 6.73 0.00 2.44 0.15 -1.26 -5.24 113.70 117.72 1x4q s SER 91 Ca 0.25 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1x4q s SER 91 Cb -0.01 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1x4q s SER 91 CO -0.06 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.93