#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4q s SER 2 N 0.00 5.65 -0.15 1.61 0.15 -1.26 -5.01 113.70 114.69 1x4q s SER 2 Ca 0.00 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.84 1x4q s SER 2 Cb 0.00 -1.74 -0.08 0.00 -1.71 0.00 0.00 66.02 62.49 1x4q s SER 2 CO 0.00 0.36 -0.17 -1.20 1.20 0.00 0.00 173.24 173.42 1x4q n SER 3 N 2.31 1.78 -2.70 5.45 7.64 -1.26 -4.90 113.62 121.94 1x4q n SER 3 Ca -0.19 0.09 -0.03 0.00 1.01 0.00 0.00 58.87 59.75 1x4q n SER 3 Cb 0.54 -0.37 0.11 0.00 -1.01 0.00 0.00 64.21 63.48 1x4q n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4q n GLY 4 N 2.32 1.85 2.43 0.23 0.00 -1.26 -5.09 105.19 105.67 1x4q n GLY 4 Ca -0.29 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.14 -6.89 -3.30 1.61 7.64 -1.26 -5.08 113.62 105.20 1x4q n SER 5 Ca -0.09 1.73 0.03 0.00 1.01 0.00 0.00 58.87 61.54 1x4q n SER 5 Cb 0.86 -5.22 -0.04 0.00 -1.01 0.00 0.00 64.21 58.80 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 -0.61 -0.27 -0.98 6.43 1.04 -1.26 -5.02 113.70 113.02 1x4q s SER 6 Ca -0.08 0.38 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 1x4q s SER 6 Cb 0.01 1.30 0.01 0.00 0.10 0.00 0.00 66.02 67.44 1x4q s SER 6 CO 0.23 -0.05 0.68 0.61 0.98 0.00 0.00 173.24 175.68 1x4q n GLY 7 N 4.62 -1.12 0.23 7.32 0.00 -1.26 -4.91 105.19 110.07 1x4q n GLY 7 Ca -0.08 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.11 -0.49 -3.24 1.61 -1.53 -1.89 -3.49 114.93 104.79 1x4q h MET 8 Ca -0.58 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 55.71 1x4q h MET 8 Cb 1.35 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 32.51 1x4q h MET 8 CO 0.42 -0.20 -0.69 0.00 0.14 0.00 0.00 176.91 176.58 1x4q n ALA 9 N -2.63 -2.31 -2.74 0.39 0.00 -1.26 -5.01 120.51 106.95 1x4q n ALA 9 Ca -0.09 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 1x4q n ALA 9 Cb 0.27 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.94 3.61 0.74 0.00 1.43 -1.25 -5.05 118.68 117.22 1x4q s LEU 10 Ca 0.00 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1x4q s LEU 10 Cb 0.00 -2.24 0.12 0.00 0.03 0.00 0.00 46.19 44.09 1x4q s LEU 10 CO 0.00 0.08 1.02 -0.44 0.23 0.00 0.00 176.35 177.24 1x4q s SER 11 N -3.00 4.33 0.30 2.29 0.01 -1.26 -4.82 113.70 111.56 1x4q s SER 11 Ca 0.29 -0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.44 1x4q s SER 11 Cb -0.10 -0.32 0.46 0.00 0.21 0.00 0.00 66.02 66.27 1x4q s SER 11 CO 0.21 -1.87 1.96 0.50 0.41 0.00 0.00 173.24 174.45 1x4q h LYS 12 N -0.64 1.03 -0.08 12.44 1.63 -2.00 -0.01 116.57 128.95 1x4q h LYS 12 Ca -0.39 -0.08 -0.18 0.00 -0.85 0.00 0.00 60.65 59.15 1x4q h LYS 12 Cb 1.27 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 1x4q h LYS 12 CO 0.44 0.71 -0.72 0.07 -3.45 0.00 0.00 179.45 176.50 1x4q h ARG 13 N 1.05 0.39 0.19 1.90 0.11 -1.98 -1.17 114.38 114.87 1x4q h ARG 13 Ca 0.28 -0.32 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 1x4q h ARG 13 Cb -0.07 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1x4q h ARG 13 CO -0.06 0.96 -0.09 0.93 0.10 0.00 0.00 179.97 181.81 1x4q h GLU 14 N 0.27 -0.24 -0.56 0.08 5.08 -1.77 -3.21 114.58 114.22 1x4q h GLU 14 Ca -0.03 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1x4q h GLU 14 Cb 1.29 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1x4q h GLU 14 CO 0.12 0.13 0.08 -0.07 -1.00 0.00 0.00 179.01 178.27 1x4q h LEU 15 N -0.69 0.86 -1.37 1.33 3.38 -1.10 -2.69 115.31 115.04 1x4q h LEU 15 Ca -0.03 -0.19 0.29 0.00 0.09 0.00 0.00 57.88 58.04 1x4q h LEU 15 Cb 0.49 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1x4q h LEU 15 CO 0.04 0.88 0.69 0.44 0.09 0.00 0.00 178.44 180.58 1x4q h ASP 16 N 0.86 0.41 0.77 -0.43 5.19 -1.23 0.99 116.42 122.98 1x4q h ASP 16 Ca 0.18 0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.58 1x4q h ASP 16 Cb 0.40 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1x4q h ASP 16 CO 0.01 0.04 -0.44 -0.33 -3.12 0.00 0.00 179.24 175.41 1x4q h GLU 17 N 0.35 0.00 0.08 3.56 5.08 -1.48 -3.08 114.58 119.08 1x4q h GLU 17 Ca 0.63 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.73 1x4q h GLU 17 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1x4q h GLU 17 CO -0.31 0.44 -1.13 -0.07 -1.00 0.00 0.00 179.01 176.93 1x4q h LEU 18 N 0.00 0.40 -0.95 1.33 3.38 0.89 -3.30 115.31 117.06 1x4q h LEU 18 Ca -0.00 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.66 1x4q h LEU 18 Cb 0.94 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 1x4q h LEU 18 CO 0.06 1.27 -0.58 0.11 0.09 0.00 0.00 178.44 179.39 1x4q h LYS 19 N 0.10 -0.02 0.00 1.13 1.57 -1.02 1.31 116.57 119.64 1x4q h LYS 19 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1x4q h LYS 19 Cb 1.83 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1x4q h LYS 19 CO 0.18 -0.02 0.00 -0.35 -0.57 0.00 0.00 179.45 178.70 1x4q n PRO 20 N -5.22 0.10 0.02 3.15 -0.04 -1.26 -1.14 135.00 130.61 1x4q n PRO 20 Ca 0.02 0.34 -0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1x4q n PRO 20 Cb 0.26 -1.69 -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 -1.87 0.82 -0.04 0.54 -0.00 0.38 -3.89 117.44 113.38 1x4q n TRP 21 Ca 0.03 0.28 -0.16 0.00 -0.00 0.00 0.00 57.50 57.65 1x4q n TRP 21 Cb 0.20 -1.04 -0.14 0.00 -0.00 0.00 0.00 31.31 30.32 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 -2.83 1.63 0.25 5.87 5.41 0.27 -3.19 119.36 126.77 1x4q n ILE 22 Ca -0.12 -0.71 0.09 0.00 1.00 0.00 0.00 62.75 63.01 1x4q n ILE 22 Cb 0.85 -1.31 0.65 0.00 -0.71 0.00 0.00 39.64 39.12 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 0.00 0.06 0.38 5.08 -1.32 0.70 114.58 119.51 1x4q h GLU 23 Ca -0.43 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.63 1x4q h GLU 23 Cb 2.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.25 1x4q h GLU 23 CO 0.05 0.08 -1.70 1.57 -1.00 0.00 0.00 179.01 178.01 1x4q h LYS 24 N 0.00 0.12 -0.06 2.33 2.10 -1.72 -3.31 116.57 116.03 1x4q h LYS 24 Ca -0.00 -0.21 -0.03 0.00 -2.00 0.00 0.00 60.65 58.41 1x4q h LYS 24 Cb 0.16 0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1x4q h LYS 24 CO 0.01 0.84 -0.07 1.15 -2.00 0.00 0.00 179.45 179.38 1x4q h THR 25 N 0.03 1.38 -0.75 0.07 2.02 -1.40 -3.11 112.91 111.15 1x4q h THR 25 Ca -0.29 -1.25 0.11 0.00 0.77 0.00 0.00 66.41 65.74 1x4q h THR 25 Cb 2.01 2.08 -0.05 0.00 -1.74 0.00 0.00 68.15 70.44 1x4q h THR 25 CO 0.10 0.35 0.50 0.58 0.37 0.00 0.00 175.52 177.42 1x4q h VAL 26 N -0.29 0.90 0.00 3.16 2.07 -1.05 0.12 116.25 121.15 1x4q h VAL 26 Ca 0.01 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1x4q h VAL 26 Cb 0.59 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1x4q h VAL 26 CO 0.02 0.11 -0.24 0.50 0.02 0.00 0.00 177.57 177.98 1x4q h LYS 27 N 0.60 0.00 0.00 1.57 3.64 -1.63 -1.32 116.57 119.44 1x4q h LYS 27 Ca 0.36 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1x4q h LYS 27 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1x4q h LYS 27 CO -0.13 0.24 -0.02 0.00 -2.27 0.00 0.00 179.45 177.26 1x4q h ARG 28 N 0.00 0.00 -0.23 1.90 2.47 -0.75 0.80 114.38 118.57 1x4q h ARG 28 Ca -0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1x4q h ARG 28 Cb 0.46 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 1x4q h ARG 28 CO 0.03 0.95 0.06 0.28 0.56 0.00 0.00 179.97 181.84 1x4q h VAL 29 N -1.00 0.91 0.00 2.04 2.07 -1.22 -3.00 116.25 116.04 1x4q h VAL 29 Ca -0.01 -0.05 -0.27 0.00 0.82 0.00 0.00 66.70 67.19 1x4q h VAL 29 Cb 0.95 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1x4q h VAL 29 CO -0.00 0.03 -1.51 -0.07 0.02 0.00 0.00 177.57 176.03 1x4q h LEU 30 N 0.15 0.00 0.00 2.57 3.38 -1.39 -3.48 115.31 116.54 1x4q h LEU 30 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1x4q h LEU 30 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1x4q h LEU 30 CO -0.13 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1x4q n GLY 31 N 1.50 1.10 0.00 0.83 0.00 0.28 -4.76 105.19 104.13 1x4q n GLY 31 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.23 1.61 1.16 -1.02 -4.87 117.46 112.11 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 -1.37 -1.83 -4.35 5.98 2.88 -1.25 -4.79 113.62 108.90 1x4q n SER 33 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1x4q n SER 33 Cb 0.24 0.01 -0.15 0.00 -0.75 0.00 0.00 64.21 63.56 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 -3.55 2.58 0.05 -1.46 2.56 -1.26 -4.91 118.70 112.71 1x4q s GLU 34 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 54.97 53.95 1x4q s GLU 34 Cb 0.00 -2.27 -0.13 0.00 2.00 0.00 0.00 34.13 33.73 1x4q s GLU 34 CO 0.00 0.45 1.36 -1.00 -0.56 0.00 0.00 175.26 175.51 1x4q h PRO 35 N 5.86 0.41 0.00 4.30 0.13 -2.00 -2.55 132.00 138.15 1x4q h PRO 35 Ca -0.37 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 1x4q h PRO 35 Cb 1.17 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x4q h PRO 35 CO 0.49 0.77 -0.04 0.00 -0.23 0.00 0.00 178.00 178.99 1x4q h THR 36 N 0.06 0.67 0.04 1.56 1.03 -2.00 -2.63 112.91 111.64 1x4q h THR 36 Ca 0.03 -0.15 -0.09 0.00 -0.01 0.00 0.00 66.41 66.19 1x4q h THR 36 Cb 0.69 1.09 0.01 0.00 -1.07 0.00 0.00 68.15 68.87 1x4q h THR 36 CO 0.04 0.04 -0.37 0.58 -0.01 0.00 0.00 175.52 175.80 1x4q h VAL 37 N 0.00 1.58 -0.92 0.00 2.07 -1.90 -2.85 116.25 114.23 1x4q h VAL 37 Ca -0.00 -2.20 0.23 0.00 0.82 0.00 0.00 66.70 65.55 1x4q h VAL 37 Cb 0.09 3.00 -0.12 0.00 -1.52 0.00 0.00 31.29 32.73 1x4q h VAL 37 CO 0.00 0.60 0.45 0.58 0.02 0.00 0.00 177.57 179.23 1x4q h VAL 38 N -0.54 0.49 0.21 2.57 2.07 -1.08 -1.81 116.25 118.16 1x4q h VAL 38 Ca -0.06 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1x4q h VAL 38 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1x4q h VAL 38 CO 0.07 0.08 -0.10 0.74 0.02 0.00 0.00 177.57 178.38 1x4q h THR 39 N 0.45 0.73 -0.63 2.57 2.02 -1.62 -2.40 112.91 114.03 1x4q h THR 39 Ca 0.58 -0.99 0.18 0.00 0.77 0.00 0.00 66.41 66.96 1x4q h THR 39 Cb 1.11 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1x4q h THR 39 CO -0.51 0.18 0.89 0.00 0.37 0.00 0.00 175.52 176.45 1x4q h ALA 40 N -0.38 2.46 0.00 6.16 0.00 -1.12 0.16 119.26 126.54 1x4q h ALA 40 Ca -0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1x4q h ALA 40 Cb 0.51 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1x4q h ALA 40 CO 0.05 -1.22 -0.88 0.00 0.00 0.00 0.00 179.25 177.20 1x4q h ALA 41 N 0.81 0.18 -0.92 0.00 0.00 -1.30 -3.17 119.26 114.86 1x4q h ALA 41 Ca 0.30 -0.96 0.18 0.00 0.00 0.00 0.00 54.91 54.42 1x4q h ALA 41 Cb 2.08 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 20.33 1x4q h ALA 41 CO -0.00 0.51 0.59 -0.07 0.00 0.00 0.00 179.25 180.28 1x4q h LEU 42 N -1.00 0.60 -0.21 0.00 3.38 -0.22 -0.70 115.31 117.16 1x4q h LEU 42 Ca -0.23 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1x4q h LEU 42 Cb 1.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1x4q h LEU 42 CO -0.14 0.26 -0.40 -1.13 0.09 0.00 0.00 178.44 177.12 1x4q h ASN 43 N 0.61 0.72 0.00 -0.43 -0.73 -1.33 -2.47 115.58 111.96 1x4q h ASN 43 Ca 0.49 -0.54 0.00 0.00 1.87 0.00 0.00 56.30 58.12 1x4q h ASN 43 Cb 0.92 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.30 1x4q h ASN 43 CO -0.23 1.12 0.00 0.00 -0.37 0.00 0.00 177.43 177.95 1x4q h VAL 45 N 0.00 0.66 -0.22 0.00 -1.51 -1.61 0.17 116.25 113.74 1x4q h VAL 45 Ca 0.00 -0.20 -0.09 0.00 -1.23 0.00 0.00 66.70 65.17 1x4q h VAL 45 Cb 0.00 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.16 1x4q h VAL 45 CO 0.00 0.11 -0.27 1.23 -1.23 0.00 0.00 177.57 177.41 1x4q h GLY 46 N 0.59 0.45 -2.79 5.19 0.00 -1.01 -2.53 103.07 102.97 1x4q h GLY 46 Ca 0.55 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1x4q h GLY 46 CO -0.31 0.33 0.00 1.17 0.00 0.00 0.00 176.54 177.74 1x4q n LYS 47 N -4.12 3.71 -1.08 4.80 0.00 0.24 -3.76 118.16 117.95 1x4q n LYS 47 Ca -0.01 -2.19 -0.08 0.00 0.00 0.00 0.00 58.31 56.03 1x4q n LYS 47 Cb 0.40 -2.04 -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 0.43 0.73 3.11 3.14 0.00 -0.80 -4.89 105.19 106.91 1x4q n GLY 48 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.67 -0.49 -4.29 1.61 2.81 -0.48 -4.63 117.12 110.99 1x4q n MET 49 Ca -0.08 -0.13 -0.29 0.00 -1.81 0.00 0.00 57.70 55.38 1x4q n MET 49 Cb 0.43 -1.27 -0.11 0.00 -0.71 0.00 0.00 33.22 31.56 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 -1.32 3.98 0.39 7.83 1.01 -1.26 -4.83 116.67 122.47 1x4q s ASP 50 Ca 0.44 -0.53 0.23 0.00 0.71 0.00 0.00 52.55 53.41 1x4q s ASP 50 Cb -0.02 -0.60 1.36 0.00 1.01 0.00 0.00 42.92 44.67 1x4q s ASP 50 CO 0.69 0.18 1.59 0.11 0.21 0.00 0.00 175.17 177.94 1x4q h LYS 51 N 3.70 0.03 0.67 8.23 1.57 -1.96 0.16 116.57 128.97 1x4q h LYS 51 Ca -0.50 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 1x4q h LYS 51 Cb 1.17 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1x4q h LYS 51 CO 0.47 0.02 -0.32 0.87 -0.57 0.00 0.00 179.45 179.92 1x4q h LYS 52 N 0.03 -0.86 0.32 3.15 1.57 -2.01 -2.86 116.57 115.91 1x4q h LYS 52 Ca 0.85 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.68 1x4q h LYS 52 Cb 2.35 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 34.84 1x4q h LYS 52 CO -0.67 -0.58 -0.36 0.87 -0.57 0.00 0.00 179.45 178.14 1x4q h LYS 53 N -1.18 -0.66 -0.77 3.15 1.57 -1.26 -2.91 116.57 114.51 1x4q h LYS 53 Ca -0.09 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1x4q h LYS 53 Cb 0.69 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 33.04 1x4q h LYS 53 CO 0.15 -0.44 -0.40 0.00 -0.57 0.00 0.00 179.45 178.19 1x4q n ALA 54 N -2.67 -0.35 -0.33 3.86 0.00 0.30 0.48 120.51 121.81 1x4q n ALA 54 Ca -0.08 0.70 -0.00 0.00 0.00 0.00 0.00 53.44 54.05 1x4q n ALA 54 Cb 0.32 -0.19 0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 0.64 0.25 -0.72 0.00 0.00 -1.31 1.31 119.26 119.43 1x4q h ALA 55 Ca 0.18 0.28 0.17 0.00 0.00 0.00 0.00 54.91 55.53 1x4q h ALA 55 Cb 0.37 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1x4q h ALA 55 CO -0.74 -0.57 0.49 0.22 0.00 0.00 0.00 179.25 178.66 1x4q h ASP 56 N -0.03 0.23 1.21 0.00 3.58 0.10 0.96 116.42 122.47 1x4q h ASP 56 Ca 0.35 0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.66 1x4q h ASP 56 Cb 0.61 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1x4q h ASP 56 CO -0.92 0.11 -0.81 -0.74 -2.88 0.00 0.00 179.24 174.01 1x4q h HIS 57 N 0.24 0.00 -0.31 0.28 2.76 0.19 -3.23 115.15 115.08 1x4q h HIS 57 Ca 0.35 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1x4q h HIS 57 Cb 1.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1x4q h HIS 57 CO -0.00 0.68 0.00 1.28 -1.30 0.00 0.00 177.93 178.59 1x4q n LEU 58 N -3.21 3.26 0.34 0.26 4.77 0.64 -4.47 117.00 118.58 1x4q n LEU 58 Ca -0.01 -1.34 -0.16 0.00 -0.03 0.00 0.00 56.01 54.47 1x4q n LEU 58 Cb 0.82 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1x4q n LEU 58 CO 0.43 0.67 0.48 0.50 -1.33 0.00 0.00 177.39 178.14 1x4q h LYS 59 N 4.38 -0.84 0.00 3.23 1.63 0.75 1.02 116.57 126.75 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 0.96 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1x4q h LYS 59 CO 0.00 -0.52 0.00 -0.35 -3.45 0.00 0.00 179.45 175.13 1x4q n PRO 60 N -5.39 0.24 -0.04 1.90 -0.04 -1.26 0.59 135.00 131.00 1x4q n PRO 60 Ca -0.12 0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 1x4q n PRO 60 Cb 0.37 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.03 0.54 3.72 -1.10 -4.89 117.46 114.51 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 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 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 -2.28 0.12 0.00 4.37 4.77 0.35 -4.94 117.00 119.39 1x4q n LEU 62 Ca -0.14 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1x4q n LEU 62 Cb 0.72 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1x4q n LEU 62 CO 0.23 -0.43 0.00 0.47 -1.33 0.00 0.00 177.39 176.33 1x4q n ASP 63 N -2.96 0.00 0.11 -1.43 8.00 0.20 -1.99 116.55 118.48 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 0.16 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.72 1x4q n ASP 63 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x4q n ASP 64 N 1.68 0.64 -0.82 -2.24 -0.08 -1.26 -2.75 116.55 111.71 1x4q n ASP 64 Ca 0.00 0.63 0.03 0.00 -1.51 0.00 0.00 54.79 53.94 1x4q n ASP 64 Cb 0.00 -0.78 0.18 0.00 2.34 0.00 0.00 41.12 42.86 1x4q n ASP 64 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1x4q n SER 65 N -2.18 1.94 0.00 1.67 7.64 -0.84 -4.81 113.62 117.04 1x4q n SER 65 Ca 0.03 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.19 1x4q n SER 65 Cb 0.27 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.38 0.44 -1.04 -1.11 -2.63 114.28 108.62 1x4q n THR 66 Ca 0.20 0.35 0.38 0.00 -2.04 0.00 0.00 64.05 62.94 1x4q n THR 66 Cb 0.75 -1.20 0.74 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.22 -4.42 3.38 -1.88 0.72 115.31 113.33 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 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1x4q h LEU 67 CO 0.00 0.00 -1.60 -0.09 0.09 0.00 0.00 178.44 176.84 1x4q h ARG 68 N 0.00 0.46 0.06 1.13 2.43 -1.88 -3.28 114.38 113.31 1x4q h ARG 68 Ca 0.62 -0.78 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1x4q h ARG 68 Cb 2.61 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 32.46 1x4q h ARG 68 CO -0.01 1.37 -0.03 0.35 -1.51 0.00 0.00 179.97 180.14 1x4q h PHE 69 N 0.13 -0.08 -1.73 2.20 3.04 0.48 -3.29 116.94 117.69 1x4q h PHE 69 Ca -0.29 -0.00 0.50 0.00 3.98 0.00 0.00 57.97 62.16 1x4q h PHE 69 Cb 2.13 0.03 -0.07 0.00 2.56 0.00 0.00 35.95 40.60 1x4q h PHE 69 CO 0.11 -0.05 1.38 1.55 -2.02 0.00 0.00 178.31 179.28 1x4q n VAL 70 N -2.85 0.00 -0.11 1.41 3.14 0.11 0.14 118.33 120.17 1x4q n VAL 70 Ca -0.01 1.43 -0.10 0.00 -2.96 0.00 0.00 64.34 62.70 1x4q n VAL 70 Cb 0.03 -2.43 -0.02 0.00 -1.06 0.00 0.00 33.84 30.37 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 0.46 -0.07 6.55 1.82 -1.62 -2.81 116.42 120.74 1x4q h ASP 71 Ca 0.82 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 57.27 1x4q h ASP 71 Cb 3.57 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 43.46 1x4q h ASP 71 CO -0.01 0.50 -0.05 0.11 -1.61 0.00 0.00 179.24 178.18 1x4q h LYS 72 N 0.38 0.17 -0.21 0.28 1.79 0.12 -3.20 116.57 115.90 1x4q h LYS 72 Ca 0.11 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1x4q h LYS 72 Cb 0.19 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 1x4q h LYS 72 CO -0.01 0.56 -0.19 1.25 -1.08 0.00 0.00 179.45 179.98 1x4q h LEU 73 N -0.23 -0.67 -0.91 2.94 5.85 -1.43 0.46 115.31 121.32 1x4q h LEU 73 Ca 0.01 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1x4q h LEU 73 Cb 0.52 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.71 1x4q h LEU 73 CO 0.01 -0.12 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.20 1x4q h PHE 74 N -0.09 -1.67 -0.04 1.25 -1.00 -1.60 1.46 116.94 115.25 1x4q h PHE 74 Ca 0.03 0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.94 1x4q h PHE 74 Cb 0.18 0.85 -0.00 0.00 3.61 0.00 0.00 35.95 40.59 1x4q h PHE 74 CO -0.76 -0.39 0.05 0.93 -1.61 0.00 0.00 178.31 176.53 1x4q h GLU 75 N -0.06 0.00 -0.78 1.51 5.08 -1.33 -1.83 114.58 117.17 1x4q h GLU 75 Ca 0.19 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1x4q h GLU 75 Cb 0.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1x4q h GLU 75 CO -0.90 0.00 0.51 0.00 -1.00 0.00 0.00 179.01 177.62 1x4q h ALA 76 N 1.94 0.99 -0.95 3.43 0.00 0.68 -2.61 119.26 122.75 1x4q h ALA 76 Ca 0.02 -0.06 0.33 0.00 0.00 0.00 0.00 54.91 55.20 1x4q h ALA 76 Cb 0.12 -0.32 -0.17 0.00 0.00 0.00 0.00 17.79 17.42 1x4q h ALA 76 CO -0.00 0.42 0.27 0.28 0.00 0.00 0.00 179.25 180.22 1x4q n VAL 77 N -4.53 -0.40 0.10 0.00 0.31 -0.69 0.23 118.33 113.36 1x4q n VAL 77 Ca 0.08 2.00 0.04 0.00 -0.01 0.00 0.00 64.34 66.45 1x4q n VAL 77 Cb 0.02 -3.08 -0.01 0.00 -0.91 0.00 0.00 33.84 29.86 1x4q n VAL 77 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1x4q h GLU 78 N 0.00 0.00 0.21 5.55 4.39 -1.66 -2.95 114.58 120.12 1x4q h GLU 78 Ca 0.69 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.38 1x4q h GLU 78 Cb 1.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1x4q h GLU 78 CO -0.81 0.26 -0.10 1.49 -1.16 0.00 0.00 179.01 178.69 1x4q h GLU 79 N 0.00 -0.27 -0.73 2.33 4.57 0.33 0.35 114.58 121.16 1x4q h GLU 79 Ca -0.06 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1x4q h GLU 79 Cb 1.34 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.96 1x4q h GLU 79 CO 0.04 -0.18 0.27 0.78 -1.18 0.00 0.00 179.01 178.73 1x4q h GLY 80 N -0.93 1.17 0.00 1.92 0.00 -0.11 -3.33 103.07 101.78 1x4q h GLY 80 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1x4q h GLY 80 CO 0.05 0.61 -0.30 3.21 0.00 0.00 0.00 176.54 180.11 1x4q h ARG 81 N 1.06 0.00 -6.03 4.80 3.08 -1.64 -3.48 114.38 112.16 1x4q h ARG 81 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1x4q h ARG 81 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1x4q h ARG 81 CO -0.02 0.00 -0.72 0.43 -1.07 0.00 0.00 179.97 178.60 1x4q n SER 82 N -4.27 -6.55 -3.77 7.04 7.64 0.12 -4.97 113.62 108.87 1x4q n SER 82 Ca -0.04 0.80 -0.30 0.00 1.01 0.00 0.00 58.87 60.34 1x4q n SER 82 Cb 0.16 -2.34 -0.14 0.00 -1.01 0.00 0.00 64.21 60.88 1x4q n SER 82 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4q s SER 83 N -0.71 3.91 0.28 6.43 0.15 -1.26 -4.86 113.70 117.63 1x4q s SER 83 Ca -0.03 -2.35 0.00 0.00 0.70 0.00 0.00 55.95 54.27 1x4q s SER 83 Cb 0.00 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1x4q s SER 83 CO 0.16 -0.31 0.00 -1.14 1.20 0.00 0.00 173.24 173.15 1x4q n ARG 84 N 3.92 0.00 -4.33 5.44 0.63 -1.26 -5.16 116.66 115.90 1x4q n ARG 84 Ca 0.05 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.81 1x4q n ARG 84 Cb 0.37 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.18 1x4q n ARG 84 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1x4q s HIS 85 N -1.83 1.57 0.35 -0.14 -3.43 -1.26 -5.07 115.29 105.47 1x4q s HIS 85 Ca 0.00 -1.11 0.00 0.00 -0.80 0.00 0.00 55.06 53.15 1x4q s HIS 85 Cb 0.00 -0.93 0.00 0.00 -1.43 0.00 0.00 32.58 30.22 1x4q s HIS 85 CO 0.00 -0.25 0.00 0.45 -2.00 0.00 0.00 174.74 172.94 1x4q n SER 86 N -0.47 -2.72 -3.08 7.38 2.88 -1.26 -5.12 113.62 111.24 1x4q n SER 86 Ca -0.01 0.66 -0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1x4q n SER 86 Cb 0.66 2.64 -0.00 0.00 -0.75 0.00 0.00 64.21 66.76 1x4q n SER 86 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4q n SER 87 N -3.27 -6.77 0.00 -3.46 2.88 -1.26 -4.96 113.62 96.78 1x4q n SER 87 Ca 0.00 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1x4q n SER 87 Cb 0.00 -2.34 0.00 0.00 -0.75 0.00 0.00 64.21 61.12 1x4q n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4q n GLY 88 N 1.34 4.24 0.18 0.46 0.00 -1.26 -4.94 105.19 105.21 1x4q n GLY 88 Ca -0.01 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.67 1x4q n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4q h PRO 89 N 0.00 0.00 -6.57 1.61 0.13 -2.07 -3.44 132.00 121.66 1x4q h PRO 89 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1x4q h PRO 89 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1x4q h PRO 89 CO 0.00 0.42 0.71 0.45 -0.23 0.00 0.00 178.00 179.35 1x4q s SER 90 N -6.72 6.84 -0.05 1.44 0.15 -1.26 -4.83 113.70 109.27 1x4q s SER 90 Ca -0.02 2.33 0.02 0.00 0.70 0.00 0.00 55.95 58.98 1x4q s SER 90 Cb 0.13 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.91 1x4q s SER 90 CO 0.71 -0.63 0.58 -1.54 1.20 0.00 0.00 173.24 173.57 1x4q n SER 91 N 3.72 -0.27 -0.34 5.45 3.41 -1.26 -5.00 113.62 119.32 1x4q n SER 91 Ca 0.10 -1.03 0.15 0.00 -0.26 0.00 0.00 58.87 57.83 1x4q n SER 91 Cb 0.42 0.12 0.65 0.00 -0.26 0.00 0.00 64.21 65.14 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49