#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 -0.23 -0.06 1.61 0.15 -1.26 -5.13 113.70 108.77 1x4q s SER 2 Ca 0.00 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 1x4q s SER 2 Cb 0.00 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1x4q s SER 2 CO 0.00 -0.58 1.32 -0.55 1.20 0.00 0.00 173.24 174.63 1x4q s SER 3 N -2.61 6.93 0.00 5.45 0.15 -1.26 -4.82 113.70 117.55 1x4q s SER 3 Ca 0.09 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.66 1x4q s SER 3 Cb -0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x4q s SER 3 CO -0.05 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.31 1x4q n GLY 4 N 3.57 -3.28 0.22 9.45 0.00 -1.26 -4.89 105.19 109.00 1x4q n GLY 4 Ca 0.13 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.80 1x4q n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4q n SER 5 N 0.00 1.93 -1.29 1.61 2.88 -1.26 -5.12 113.62 112.37 1x4q n SER 5 Ca 0.00 0.10 0.16 0.00 -1.33 0.00 0.00 58.87 57.80 1x4q n SER 5 Cb 0.00 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 62.88 1x4q n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4q n SER 6 N -3.59 -7.24 0.00 -3.46 7.64 -1.26 -5.03 113.62 100.69 1x4q n SER 6 Ca -0.40 1.18 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1x4q n SER 6 Cb 0.84 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 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 -4.10 0.74 3.38 0.23 0.00 -1.26 -5.09 105.19 99.09 1x4q n GLY 7 Ca -0.07 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1x4q n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x4q s MET 8 N 0.00 -2.21 0.04 1.61 0.00 -1.26 -4.35 119.30 113.13 1x4q s MET 8 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 55.69 56.05 1x4q s MET 8 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 34.83 33.39 1x4q s MET 8 CO 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 175.02 170.56 1x4q n ALA 9 N -5.37 3.00 -2.58 3.16 0.00 0.32 -4.75 120.51 114.29 1x4q n ALA 9 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1x4q n ALA 9 Cb 0.58 0.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.19 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 -5.86 3.05 0.00 0.00 1.43 -1.25 -5.05 118.68 111.01 1x4q s LEU 10 Ca 0.00 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1x4q s LEU 10 Cb 0.00 -1.84 0.15 0.00 0.03 0.00 0.00 46.19 44.53 1x4q s LEU 10 CO 0.00 0.18 0.94 -0.24 0.23 0.00 0.00 176.35 177.45 1x4q n SER 11 N 0.68 0.33 0.15 2.29 2.88 -1.26 -4.81 113.62 113.87 1x4q n SER 11 Ca -0.13 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.91 1x4q n SER 11 Cb 0.52 -0.69 0.27 0.00 -0.75 0.00 0.00 64.21 63.56 1x4q n SER 11 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1x4q h LYS 12 N 0.00 0.06 0.00 -1.46 1.63 -2.00 -1.95 116.57 112.84 1x4q h LYS 12 Ca -0.30 -0.03 -0.23 0.00 -0.85 0.00 0.00 60.65 59.24 1x4q h LYS 12 Cb 0.90 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.49 1x4q h LYS 12 CO 0.24 0.51 -1.16 0.07 -3.45 0.00 0.00 179.45 175.66 1x4q h ARG 13 N 0.05 0.00 -0.00 1.90 0.11 -1.99 -2.94 114.38 111.50 1x4q h ARG 13 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1x4q h ARG 13 Cb 0.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.91 1x4q h ARG 13 CO 0.06 0.86 -0.01 0.93 0.10 0.00 0.00 179.97 181.92 1x4q h GLU 14 N 0.00 0.01 0.00 0.08 5.08 -1.88 -3.19 114.58 114.68 1x4q h GLU 14 Ca -0.08 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1x4q h GLU 14 Cb 1.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 1x4q h GLU 14 CO 0.12 0.58 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.39 1x4q h LEU 15 N -0.56 0.00 -0.97 1.33 3.38 -1.49 -2.80 115.31 114.21 1x4q h LEU 15 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1x4q h LEU 15 Cb 0.58 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1x4q h LEU 15 CO 0.00 0.24 0.59 -0.78 0.09 0.00 0.00 178.44 178.59 1x4q h ASP 16 N 0.00 0.84 0.58 -0.43 1.82 -1.50 0.35 116.42 118.08 1x4q h ASP 16 Ca -0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1x4q h ASP 16 Cb 0.49 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1x4q h ASP 16 CO 0.03 0.42 0.00 -0.33 -1.61 0.00 0.00 179.24 177.75 1x4q h GLU 17 N 0.90 0.00 0.01 0.28 4.39 -1.56 -2.30 114.58 116.30 1x4q h GLU 17 Ca 0.50 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.92 1x4q h GLU 17 Cb 0.55 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1x4q h GLU 17 CO -0.29 0.00 -1.57 -0.07 -1.16 0.00 0.00 179.01 175.92 1x4q h LEU 18 N 0.00 0.04 -0.85 1.33 3.38 -0.46 -3.36 115.31 115.39 1x4q h LEU 18 Ca 0.00 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1x4q h LEU 18 Cb 0.29 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 1x4q h LEU 18 CO 0.00 1.06 -0.56 0.11 0.09 0.00 0.00 178.44 179.13 1x4q h LYS 19 N 0.01 -0.09 0.00 1.13 1.57 -0.70 1.17 116.57 119.66 1x4q h LYS 19 Ca -0.23 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1x4q h LYS 19 Cb 1.97 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1x4q h LYS 19 CO 0.09 -0.06 0.00 -0.35 -0.57 0.00 0.00 179.45 178.56 1x4q n PRO 20 N -5.30 0.05 -0.00 3.15 -0.04 -1.26 -0.89 135.00 130.70 1x4q n PRO 20 Ca 0.01 0.29 -0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1x4q n PRO 20 Cb 0.29 -1.59 -0.11 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 0.61 -0.05 0.54 -0.00 0.33 -4.04 117.44 113.15 1x4q n TRP 21 Ca 0.03 0.20 -0.16 0.00 -0.00 0.00 0.00 57.50 57.58 1x4q n TRP 21 Cb 0.18 -0.97 -0.14 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 -2.75 1.60 -0.07 5.87 5.41 0.27 -3.40 119.36 126.28 1x4q n ILE 22 Ca -0.14 -0.70 0.07 0.00 1.00 0.00 0.00 62.75 62.98 1x4q n ILE 22 Cb 0.86 -1.29 0.43 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.55 0.19 0.38 5.08 -1.22 0.53 114.58 120.13 1x4q h GLU 23 Ca -0.46 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 57.59 1x4q h GLU 23 Cb 2.03 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 31.18 1x4q h GLU 23 CO 0.03 0.37 -1.28 1.57 -1.00 0.00 0.00 179.01 178.70 1x4q h LYS 24 N 0.57 0.41 0.29 2.33 2.10 -1.74 -3.28 116.57 117.26 1x4q h LYS 24 Ca 0.23 -0.70 -0.01 0.00 -2.00 0.00 0.00 60.65 58.16 1x4q h LYS 24 Cb 0.20 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1x4q h LYS 24 CO -0.06 1.34 -0.14 1.15 -2.00 0.00 0.00 179.45 179.73 1x4q h THR 25 N -0.09 0.72 -0.99 0.07 2.02 -1.46 -2.38 112.91 110.80 1x4q h THR 25 Ca -0.23 -0.05 0.25 0.00 0.77 0.00 0.00 66.41 67.15 1x4q h THR 25 Cb 1.94 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 69.02 1x4q h THR 25 CO 0.20 0.01 0.66 0.58 0.37 0.00 0.00 175.52 177.34 1x4q h VAL 26 N -0.42 0.57 -0.32 3.16 2.07 -1.06 0.35 116.25 120.59 1x4q h VAL 26 Ca -0.04 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 1x4q h VAL 26 Cb 0.32 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1x4q h VAL 26 CO 0.07 0.05 -0.39 0.50 0.02 0.00 0.00 177.57 177.82 1x4q h LYS 27 N 0.30 0.77 -0.04 1.57 3.64 -1.50 -1.40 116.57 119.91 1x4q h LYS 27 Ca 0.53 -0.40 -0.24 0.00 -1.27 0.00 0.00 60.65 59.27 1x4q h LYS 27 Cb 1.51 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.35 1x4q h LYS 27 CO -0.18 1.02 -0.93 0.00 -2.27 0.00 0.00 179.45 177.08 1x4q h ARG 28 N 0.63 0.60 0.05 1.90 3.08 -0.05 1.84 114.38 122.43 1x4q h ARG 28 Ca 0.05 -0.60 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 1x4q h ARG 28 Cb 0.94 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1x4q h ARG 28 CO 0.09 1.21 -0.02 0.28 -1.07 0.00 0.00 179.97 180.45 1x4q h VAL 29 N 0.36 1.16 0.03 2.04 2.07 -0.62 -3.30 116.25 117.98 1x4q h VAL 29 Ca -0.09 -0.68 -0.30 0.00 0.82 0.00 0.00 66.70 66.45 1x4q h VAL 29 Cb 1.57 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.91 1x4q h VAL 29 CO 0.18 0.17 -1.68 -0.07 0.02 0.00 0.00 177.57 176.18 1x4q h LEU 30 N -0.37 0.09 0.00 2.57 3.38 -1.35 -3.49 115.31 116.14 1x4q h LEU 30 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1x4q h LEU 30 Cb 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1x4q h LEU 30 CO 0.01 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.31 1x4q n GLY 31 N 1.61 1.96 0.00 0.83 0.00 0.62 -4.77 105.19 105.44 1x4q n GLY 31 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1x4q n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x4q n PHE 32 N -2.00 0.00 -1.00 1.61 1.16 -1.16 -4.87 117.46 111.20 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 -1.26 -5.84 -4.02 5.98 2.88 -1.25 -4.87 113.62 105.24 1x4q n SER 33 Ca 0.00 0.76 -0.21 0.00 -1.33 0.00 0.00 58.87 58.09 1x4q n SER 33 Cb 0.00 -2.51 -0.15 0.00 -0.75 0.00 0.00 64.21 60.79 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 -4.11 1.06 0.05 -1.46 2.12 -1.26 -4.92 118.70 110.18 1x4q s GLU 34 Ca 0.00 -0.35 -0.19 0.00 0.36 0.00 0.00 54.97 54.79 1x4q s GLU 34 Cb 0.00 -0.98 -0.13 0.00 0.26 0.00 0.00 34.13 33.28 1x4q s GLU 34 CO 0.00 0.14 1.36 -1.00 -0.54 0.00 0.00 175.26 175.22 1x4q h PRO 35 N 6.34 0.41 -0.14 4.30 0.13 -1.99 -2.47 132.00 138.58 1x4q h PRO 35 Ca -0.33 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1x4q h PRO 35 Cb 1.17 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1x4q h PRO 35 CO 0.49 0.77 0.05 0.00 -0.23 0.00 0.00 178.00 179.08 1x4q h THR 36 N 0.06 1.06 -0.05 1.56 1.03 -2.00 -2.65 112.91 111.92 1x4q h THR 36 Ca 0.03 -0.20 -0.08 0.00 -0.01 0.00 0.00 66.41 66.15 1x4q h THR 36 Cb 0.69 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 1x4q h THR 36 CO 0.04 0.07 -0.30 0.58 -0.01 0.00 0.00 175.52 175.91 1x4q h VAL 37 N 0.19 1.45 -0.82 0.00 2.07 -1.90 -2.84 116.25 114.40 1x4q h VAL 37 Ca 0.05 -1.76 0.20 0.00 0.82 0.00 0.00 66.70 66.01 1x4q h VAL 37 Cb 0.05 2.42 -0.13 0.00 -1.52 0.00 0.00 31.29 32.11 1x4q h VAL 37 CO -0.01 0.50 0.20 0.58 0.02 0.00 0.00 177.57 178.86 1x4q h VAL 38 N -0.24 0.39 0.21 2.57 2.07 -1.08 -1.57 116.25 118.60 1x4q h VAL 38 Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1x4q h VAL 38 Cb 0.97 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1x4q h VAL 38 CO 0.06 0.04 -0.10 0.74 0.02 0.00 0.00 177.57 178.33 1x4q h THR 39 N 0.23 0.86 -1.62 2.57 2.02 -1.58 -2.62 112.91 112.78 1x4q h THR 39 Ca 0.49 -0.78 0.47 0.00 0.77 0.00 0.00 66.41 67.36 1x4q h THR 39 Cb 0.92 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 1x4q h THR 39 CO -0.60 0.16 1.19 0.00 0.37 0.00 0.00 175.52 176.64 1x4q h ALA 40 N -0.05 3.53 0.00 6.16 0.00 -1.05 0.14 119.26 127.99 1x4q h ALA 40 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1x4q h ALA 40 Cb 0.48 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x4q h ALA 40 CO 0.05 -2.02 -0.08 0.00 0.00 0.00 0.00 179.25 177.19 1x4q h ALA 41 N 1.14 0.01 -1.00 0.00 0.00 -1.26 -2.98 119.26 115.18 1x4q h ALA 41 Ca 0.77 -0.36 0.21 0.00 0.00 0.00 0.00 54.91 55.53 1x4q h ALA 41 Cb 3.14 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 20.89 1x4q h ALA 41 CO -0.01 0.05 0.62 -0.07 0.00 0.00 0.00 179.25 179.84 1x4q h LEU 42 N -1.00 0.66 -0.26 0.00 3.38 -0.41 -0.07 115.31 117.61 1x4q h LEU 42 Ca -0.02 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1x4q h LEU 42 Cb 0.63 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1x4q h LEU 42 CO -0.01 0.20 -0.18 -1.13 0.09 0.00 0.00 178.44 177.41 1x4q h ASN 43 N 0.63 0.61 0.00 -0.43 -0.73 -1.24 -2.20 115.58 112.22 1x4q h ASN 43 Ca 0.58 -0.44 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1x4q h ASN 43 Cb 1.09 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.51 1x4q h ASN 43 CO -0.35 0.92 0.00 0.00 -0.37 0.00 0.00 177.43 177.63 1x4q h VAL 45 N 0.00 0.79 -0.26 0.00 -1.51 -1.59 0.70 116.25 114.38 1x4q h VAL 45 Ca 0.00 -0.29 -0.04 0.00 -1.23 0.00 0.00 66.70 65.15 1x4q h VAL 45 Cb 0.00 -0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.03 1x4q h VAL 45 CO 0.00 0.15 0.01 1.23 -1.23 0.00 0.00 177.57 177.73 1x4q h GLY 46 N 0.83 0.42 -3.05 5.19 0.00 -0.86 -1.75 103.07 103.85 1x4q h GLY 46 Ca 0.53 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1x4q h GLY 46 CO -0.34 0.21 0.04 1.17 0.00 0.00 0.00 176.54 177.63 1x4q n LYS 47 N -4.33 3.89 -1.04 4.80 4.81 0.17 0.12 118.16 126.57 1x4q n LYS 47 Ca 0.01 -2.46 -0.07 0.00 -0.87 0.00 0.00 58.31 54.91 1x4q n LYS 47 Cb 0.21 -2.09 -0.03 0.00 0.02 0.00 0.00 35.03 33.14 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 0.38 0.68 3.07 3.14 0.00 -0.66 -4.84 105.19 106.97 1x4q n GLY 48 Ca 0.24 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 -0.71 -0.16 -4.28 1.61 2.81 -0.42 -4.97 117.12 111.00 1x4q n MET 49 Ca -0.07 -0.04 -0.32 0.00 -1.81 0.00 0.00 57.70 55.46 1x4q n MET 49 Cb 0.39 -1.16 -0.09 0.00 -0.71 0.00 0.00 33.22 31.64 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 -1.20 5.03 0.39 7.83 1.11 -1.26 -4.84 116.67 123.74 1x4q s ASP 50 Ca 0.42 -0.06 0.26 0.00 0.18 0.00 0.00 52.55 53.36 1x4q s ASP 50 Cb -0.10 -1.28 1.37 0.00 1.07 0.00 0.00 42.92 43.98 1x4q s ASP 50 CO 0.75 0.26 1.50 0.29 1.18 0.00 0.00 175.17 179.15 1x4q n LYS 51 N 1.28 -0.04 0.30 8.23 5.02 -1.26 -0.39 118.16 131.30 1x4q n LYS 51 Ca -0.14 1.25 -0.12 0.00 -2.02 0.00 0.00 58.31 57.28 1x4q n LYS 51 Cb 0.53 -2.36 -0.06 0.00 -0.02 0.00 0.00 35.03 33.12 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 -0.76 0.35 1.97 1.79 -2.01 -2.92 116.57 114.99 1x4q h LYS 52 Ca 0.83 0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 59.34 1x4q h LYS 52 Cb 2.47 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 33.27 1x4q h LYS 52 CO -0.57 -0.51 -0.42 0.87 -1.08 0.00 0.00 179.45 177.74 1x4q h LYS 53 N -1.03 -0.76 -0.75 3.15 1.57 -1.12 -2.77 116.57 114.87 1x4q h LYS 53 Ca -0.08 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1x4q h LYS 53 Cb 0.61 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.97 1x4q h LYS 53 CO 0.13 -0.51 -0.30 0.00 -0.57 0.00 0.00 179.45 178.21 1x4q n ALA 54 N -2.74 -0.10 -0.27 3.86 0.00 0.09 0.10 120.51 121.45 1x4q n ALA 54 Ca -0.09 0.74 0.01 0.00 0.00 0.00 0.00 53.44 54.10 1x4q n ALA 54 Cb 0.37 -0.33 0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 1.01 0.47 -0.51 0.00 0.00 -1.29 0.66 119.26 119.60 1x4q h ALA 55 Ca 0.26 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 1x4q h ALA 55 Cb 0.44 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1x4q h ALA 55 CO -0.74 -0.43 0.31 0.22 0.00 0.00 0.00 179.25 178.62 1x4q h ASP 56 N -0.01 0.60 0.21 0.00 3.58 0.72 0.44 116.42 121.96 1x4q h ASP 56 Ca 0.36 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.67 1x4q h ASP 56 Cb 0.56 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1x4q h ASP 56 CO -0.79 0.46 -0.45 -0.74 -2.88 0.00 0.00 179.24 174.84 1x4q h HIS 57 N 0.70 0.36 -0.68 0.28 2.76 0.81 -2.83 115.15 116.55 1x4q h HIS 57 Ca 0.19 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1x4q h HIS 57 Cb -0.04 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1x4q h HIS 57 CO 0.00 0.70 0.00 1.28 -1.30 0.00 0.00 177.93 178.61 1x4q n LEU 58 N -3.99 3.85 0.35 0.26 4.77 0.14 -4.52 117.00 117.85 1x4q n LEU 58 Ca -0.02 -1.96 -0.14 0.00 -0.03 0.00 0.00 56.01 53.86 1x4q n LEU 58 Cb 0.52 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1x4q n LEU 58 CO 0.43 0.95 0.37 0.11 -1.33 0.00 0.00 177.39 177.92 1x4q h LYS 59 N 4.14 -0.89 0.00 3.23 1.57 0.10 0.66 116.57 125.39 1x4q h LYS 59 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x4q h LYS 59 Cb 0.97 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1x4q h LYS 59 CO 0.00 -0.59 0.00 -0.35 -0.57 0.00 0.00 179.45 177.94 1x4q n PRO 60 N -5.39 0.24 -0.07 3.15 -0.04 -1.26 0.15 135.00 131.78 1x4q n PRO 60 Ca -0.11 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1x4q n PRO 60 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.16 -4.84 117.46 114.46 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 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 37.97 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 -2.66 0.54 0.00 4.37 4.77 0.23 -4.93 117.00 119.32 1x4q n LEU 62 Ca -0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1x4q n LEU 62 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1x4q n LEU 62 CO 0.26 0.09 0.00 0.47 -1.33 0.00 0.00 177.39 176.87 1x4q n ASP 63 N -2.90 0.00 0.00 -1.43 8.00 0.40 -2.04 116.55 118.59 1x4q n ASP 63 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1x4q n ASP 63 Cb 0.49 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.90 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 2.07 0.02 -1.69 -2.24 2.03 -1.26 -2.55 116.55 112.93 1x4q n ASP 64 Ca 0.00 0.50 -0.04 0.00 0.52 0.00 0.00 54.79 55.77 1x4q n ASP 64 Cb 0.00 -0.51 0.08 0.00 -0.72 0.00 0.00 41.12 39.97 1x4q n ASP 64 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x4q n SER 65 N -1.52 2.46 0.00 1.67 7.64 -0.86 -4.86 113.62 118.14 1x4q n SER 65 Ca 0.03 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1x4q n SER 65 Cb 0.17 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 -0.54 0.00 -0.11 0.44 -1.04 -1.06 -3.13 114.28 108.84 1x4q n THR 66 Ca 0.21 0.28 -0.07 0.00 -2.04 0.00 0.00 64.05 62.43 1x4q n THR 66 Cb 0.89 -0.96 -0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -0.83 -0.93 -4.42 3.38 -1.90 0.39 115.31 110.99 1x4q h LEU 67 Ca 0.00 0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1x4q h LEU 67 Cb 0.00 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1x4q h LEU 67 CO 0.00 -0.27 0.58 0.08 0.09 0.00 0.00 178.44 178.91 1x4q h ARG 68 N -0.19 0.94 0.00 1.13 0.11 -1.89 -0.73 114.38 113.74 1x4q h ARG 68 Ca 0.18 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1x4q h ARG 68 Cb 0.48 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1x4q h ARG 68 CO -0.49 0.62 0.00 0.34 0.10 0.00 0.00 179.97 180.54 1x4q n PHE 69 N -4.63 0.00 -0.43 4.08 -0.00 -0.13 -3.31 117.46 113.04 1x4q n PHE 69 Ca 0.16 0.00 0.36 0.00 -0.00 0.00 0.00 57.45 57.97 1x4q n PHE 69 Cb 0.28 -0.29 0.61 0.00 -0.00 0.00 0.00 39.48 40.08 1x4q n PHE 69 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.76 178.31 1x4q n VAL 70 N -1.37 -0.21 -0.08 -2.13 3.14 0.12 0.15 118.33 117.95 1x4q n VAL 70 Ca 0.00 1.58 -0.07 0.00 -2.96 0.00 0.00 64.34 62.89 1x4q n VAL 70 Cb 0.00 -2.59 -0.00 0.00 -1.06 0.00 0.00 33.84 30.19 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 0.11 -0.34 6.55 3.58 -1.19 -2.17 116.42 122.96 1x4q h ASP 71 Ca 0.78 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 58.14 1x4q h ASP 71 Cb 2.56 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 43.63 1x4q h ASP 71 CO -0.39 0.10 -0.29 0.11 -2.88 0.00 0.00 179.24 175.89 1x4q h LYS 72 N 0.24 0.80 -0.05 0.28 1.79 0.14 -3.21 116.57 116.55 1x4q h LYS 72 Ca 0.14 -0.40 0.02 0.00 -2.18 0.00 0.00 60.65 58.22 1x4q h LYS 72 Cb 0.11 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1x4q h LYS 72 CO -0.14 1.03 -0.40 1.25 -1.08 0.00 0.00 179.45 180.11 1x4q h LEU 73 N 0.57 -1.26 -0.65 2.94 5.85 -1.04 0.80 115.31 122.52 1x4q h LEU 73 Ca 0.06 0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.01 1x4q h LEU 73 Cb 0.87 0.49 -0.11 0.00 0.37 0.00 0.00 40.66 42.28 1x4q h LEU 73 CO 0.08 -0.38 -0.48 -0.26 -0.34 0.00 0.00 178.44 177.05 1x4q h PHE 74 N -0.47 -1.46 -0.13 1.25 -1.00 -1.48 1.00 116.94 114.65 1x4q h PHE 74 Ca 0.02 0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.93 1x4q h PHE 74 Cb 0.52 0.73 -0.01 0.00 3.61 0.00 0.00 35.95 40.81 1x4q h PHE 74 CO -0.51 -0.43 0.17 0.93 -1.61 0.00 0.00 178.31 176.86 1x4q h GLU 75 N -0.21 0.00 -0.81 1.51 4.39 -1.45 -1.49 114.58 116.53 1x4q h GLU 75 Ca 0.17 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.91 1x4q h GLU 75 Cb 0.55 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 1x4q h GLU 75 CO -0.74 0.00 0.51 0.00 -1.16 0.00 0.00 179.01 177.62 1x4q h ALA 76 N 1.78 1.07 -1.24 3.43 0.00 0.35 -2.05 119.26 122.60 1x4q h ALA 76 Ca 0.06 -0.02 0.43 0.00 0.00 0.00 0.00 54.91 55.37 1x4q h ALA 76 Cb 0.40 -0.25 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 1x4q h ALA 76 CO -0.00 0.30 0.77 0.28 0.00 0.00 0.00 179.25 180.60 1x4q h VAL 77 N 0.97 0.11 0.00 0.00 2.07 -1.14 1.82 116.25 120.07 1x4q h VAL 77 Ca 0.33 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.76 1x4q h VAL 77 Cb 0.06 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1x4q h VAL 77 CO -0.13 0.02 -1.21 -0.62 0.02 0.00 0.00 177.57 175.64 1x4q n GLU 78 N -4.83 0.61 -0.04 1.57 1.02 -0.81 -3.15 120.64 115.02 1x4q n GLU 78 Ca 0.37 0.14 -0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1x4q n GLU 78 Cb 1.38 -1.80 -0.00 0.00 -0.02 0.00 0.00 31.44 31.00 1x4q n GLU 78 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1x4q h GLU 79 N 0.00 0.00 -0.49 3.49 4.57 0.29 -0.08 114.58 122.35 1x4q h GLU 79 Ca -0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1x4q h GLU 79 Cb 1.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 1x4q h GLU 79 CO 0.02 0.00 0.26 0.78 -1.18 0.00 0.00 179.01 178.88 1x4q h GLY 80 N -0.81 0.74 0.12 1.92 0.00 0.02 -3.26 103.07 101.80 1x4q h GLY 80 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1x4q h GLY 80 CO 0.00 0.33 -0.33 3.21 0.00 0.00 0.00 176.54 179.75 1x4q h ARG 81 N 0.65 0.05 -6.30 4.80 3.08 -1.65 -3.50 114.38 111.52 1x4q h ARG 81 Ca 0.17 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1x4q h ARG 81 Cb 0.08 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1x4q h ARG 81 CO -0.03 1.04 -1.01 -1.13 -1.07 0.00 0.00 179.97 177.78 1x4q n SER 82 N -4.49 -6.31 -3.71 7.04 3.41 -0.04 -4.97 113.62 104.55 1x4q n SER 82 Ca -0.14 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.51 1x4q n SER 82 Cb 0.57 -1.54 -0.15 0.00 -0.26 0.00 0.00 64.21 62.82 1x4q n SER 82 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4q s SER 83 N -1.03 3.64 -0.22 4.04 0.01 -1.26 -5.05 113.70 113.82 1x4q s SER 83 Ca 0.05 -1.35 -0.03 0.00 1.31 0.00 0.00 55.95 55.93 1x4q s SER 83 Cb -0.00 -0.71 0.07 0.00 0.21 0.00 0.00 66.02 65.58 1x4q s SER 83 CO 0.10 -0.39 0.06 -0.13 0.41 0.00 0.00 173.24 173.30 1x4q s ARG 84 N 1.76 0.58 -0.15 12.44 1.81 -1.26 -5.11 118.95 129.02 1x4q s ARG 84 Ca 0.06 -0.52 -0.30 0.00 -1.72 0.00 0.00 55.73 53.25 1x4q s ARG 84 Cb -0.17 -1.99 0.12 0.00 -0.45 0.00 0.00 34.95 32.46 1x4q s ARG 84 CO -0.22 -0.74 0.96 -1.58 -0.68 0.00 0.00 175.30 173.05 1x4q s HIS 85 N 1.86 -0.40 0.07 -0.53 2.46 -1.26 -5.19 115.29 112.30 1x4q s HIS 85 Ca 0.02 0.69 -0.13 0.00 0.47 0.00 0.00 55.06 56.11 1x4q s HIS 85 Cb -0.17 0.44 0.02 0.00 -0.13 0.00 0.00 32.58 32.74 1x4q s HIS 85 CO -0.14 -0.37 0.30 -1.12 -2.47 0.00 0.00 174.74 170.94 1x4q s SER 86 N -1.11 -0.09 0.28 9.88 0.01 -1.26 -5.04 113.70 116.37 1x4q s SER 86 Ca -0.03 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 1x4q s SER 86 Cb -0.00 0.38 0.60 0.00 0.21 0.00 0.00 66.02 67.21 1x4q s SER 86 CO 0.03 -0.70 1.61 0.77 0.41 0.00 0.00 173.24 175.36 1x4q h SER 87 N 2.91 -0.38 -6.13 2.44 4.64 -2.04 -3.46 113.55 111.53 1x4q h SER 87 Ca -0.33 0.23 -0.25 0.00 -0.47 0.00 0.00 61.79 60.98 1x4q h SER 87 Cb 1.21 0.40 0.01 0.00 -0.31 0.00 0.00 62.40 63.72 1x4q h SER 87 CO 0.49 -0.25 -1.06 0.61 -0.87 0.00 0.00 176.83 175.74 1x4q n GLY 88 N -1.45 0.12 0.14 -0.77 0.00 -1.26 -4.80 105.19 97.17 1x4q n GLY 88 Ca 0.19 0.73 0.12 0.00 0.00 0.00 0.00 46.02 47.06 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 2.41 0.00 -6.10 1.61 0.13 -1.90 -3.46 132.00 124.69 1x4q h PRO 89 Ca -0.36 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.14 1x4q h PRO 89 Cb 1.18 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.45 1x4q h PRO 89 CO 0.14 0.00 -0.67 0.43 -0.23 0.00 0.00 178.00 177.67 1x4q n SER 90 N -2.32 -1.83 -4.53 1.44 7.64 -1.26 -4.59 113.62 108.16 1x4q n SER 90 Ca 0.02 0.93 -0.35 0.00 1.01 0.00 0.00 58.87 60.48 1x4q n SER 90 Cb 0.23 -0.97 -0.08 0.00 -1.01 0.00 0.00 64.21 62.38 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 1.96 1.42 0.00 6.43 7.64 -1.26 -5.24 113.62 124.57 1x4q n SER 91 Ca 0.13 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1x4q n SER 91 Cb 0.36 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1x4q n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64