#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8l s SER 2 N 0.00 5.88 0.00 1.61 0.01 -1.26 -4.37 113.70 115.57 1q8l s SER 2 Ca 0.00 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.95 1q8l s SER 2 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1q8l s SER 2 CO 0.00 -2.10 0.00 0.80 0.41 0.00 0.00 173.24 172.35 1q8l n MET 3 N 8.75 0.00 -0.02 12.44 0.00 -1.26 -4.71 117.12 132.32 1q8l n MET 3 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.09 1q8l n MET 3 Cb 0.48 -0.78 0.01 0.00 0.00 0.00 0.00 33.22 32.93 1q8l n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1q8l n ALA 4 N -2.25 2.53 -0.11 -5.12 0.00 -1.26 -4.28 120.51 110.02 1q8l n ALA 4 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1q8l n ALA 4 Cb 0.34 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.80 1q8l n ALA 4 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1q8l h GLN 5 N 0.08 0.04 -1.48 0.00 4.20 -1.92 -1.55 115.11 114.49 1q8l h GLN 5 Ca 0.00 -0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 1q8l h GLN 5 Cb 0.59 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.27 1q8l h GLN 5 CO 0.01 0.02 0.25 0.00 -0.67 0.00 0.00 178.83 178.44 1q8l n ALA 6 N -2.61 4.31 -2.42 3.87 0.00 -1.26 -4.81 120.51 117.59 1q8l n ALA 6 Ca 0.02 -1.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.06 1q8l n ALA 6 Cb 0.20 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 1q8l n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q8l n GLY 7 N 0.53 2.27 0.54 0.00 0.00 -0.58 -4.90 105.19 103.05 1q8l n GLY 7 Ca 0.19 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 44.97 1q8l n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q8l n GLU 8 N 8.29 -0.82 -3.84 1.61 0.28 -1.26 -4.89 120.64 120.02 1q8l n GLU 8 Ca 0.48 0.57 -0.33 0.00 -0.16 0.00 0.00 57.16 57.72 1q8l n GLU 8 Cb 0.46 -1.14 -0.05 0.00 1.43 0.00 0.00 31.44 32.14 1q8l n GLU 8 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1q8l s VAL 9 N -2.03 5.36 -0.42 3.84 -7.23 -0.54 -4.97 120.40 114.40 1q8l s VAL 9 Ca 0.00 -0.06 0.11 0.00 -1.81 0.00 0.00 61.98 60.22 1q8l s VAL 9 Cb 0.00 -3.57 0.39 0.00 0.56 0.00 0.00 36.38 33.76 1q8l s VAL 9 CO 0.00 0.29 0.91 1.33 -0.31 0.00 0.00 175.10 177.32 1q8l n VAL 10 N 0.85 1.38 -1.77 1.32 0.24 -1.26 -1.51 118.33 117.57 1q8l n VAL 10 Ca -0.09 -4.50 -0.39 0.00 -2.04 0.00 0.00 64.34 57.32 1q8l n VAL 10 Cb 0.52 -0.48 0.04 0.00 -1.47 0.00 0.00 33.84 32.45 1q8l n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1q8l s LEU 11 N -3.07 3.91 -0.16 1.34 1.43 -1.22 -4.94 118.68 115.96 1q8l s LEU 11 Ca 0.40 2.82 0.01 0.00 -1.03 0.00 0.00 54.13 56.33 1q8l s LEU 11 Cb 0.37 -4.19 0.02 0.00 0.03 0.00 0.00 46.19 42.41 1q8l s LEU 11 CO -0.08 -1.50 -0.19 -0.75 0.23 0.00 0.00 176.35 174.06 1q8l s LYS 12 N -2.81 2.85 -0.06 1.70 2.36 -1.26 -3.47 119.74 119.05 1q8l s LYS 12 Ca 0.69 -0.78 0.03 0.00 -2.55 0.00 0.00 55.97 53.37 1q8l s LYS 12 Cb -0.42 -2.44 0.00 0.00 -1.05 0.00 0.00 37.83 33.93 1q8l s LYS 12 CO 0.50 -0.17 -0.16 -1.64 1.55 0.00 0.00 175.35 175.43 1q8l s MET 13 N 1.22 1.94 -0.52 4.03 -1.94 0.27 -0.36 119.30 123.94 1q8l s MET 13 Ca 0.02 -0.57 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 1q8l s MET 13 Cb -0.14 -1.60 0.13 0.00 2.01 0.00 0.00 34.83 35.23 1q8l s MET 13 CO -0.10 0.15 0.27 0.21 -0.01 0.00 0.00 175.02 175.54 1q8l s LYS 14 N 0.33 2.03 1.02 2.03 2.20 -1.14 -0.49 119.74 125.73 1q8l s LYS 14 Ca -0.10 -2.58 -0.11 0.00 -0.36 0.00 0.00 55.97 52.81 1q8l s LYS 14 Cb -0.14 -3.36 0.21 0.00 -1.51 0.00 0.00 37.83 33.02 1q8l s LYS 14 CO 0.04 -1.11 1.09 0.08 -0.36 0.00 0.00 175.35 175.09 1q8l s VAL 15 N -0.22 2.12 -0.43 4.02 1.01 -1.10 -1.30 120.40 124.51 1q8l s VAL 15 Ca 0.17 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 1q8l s VAL 15 Cb -0.25 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1q8l s VAL 15 CO -0.01 -0.05 0.67 -0.70 0.00 0.00 0.00 175.10 175.02 1q8l s GLU 16 N -4.59 3.35 0.67 2.72 2.12 0.35 -4.57 118.70 118.75 1q8l s GLU 16 Ca 0.67 -0.27 0.36 0.00 0.36 0.00 0.00 54.97 56.10 1q8l s GLU 16 Cb -0.23 -3.93 1.97 0.00 0.26 0.00 0.00 34.13 32.20 1q8l s GLU 16 CO 0.61 -1.00 2.11 0.78 -0.54 0.00 0.00 175.26 177.22 1q8l h GLY 17 N 9.76 0.00 -4.61 -1.50 0.00 -1.85 -3.44 103.07 101.43 1q8l h GLY 17 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1q8l h GLY 17 CO 0.90 0.00 -0.97 -0.13 0.00 0.00 0.00 176.54 176.34 1q8l n MET 18 N -2.97 -4.96 -1.07 4.80 1.56 -1.26 -4.55 117.12 108.67 1q8l n MET 18 Ca -0.02 3.63 -0.15 0.00 -0.27 0.00 0.00 57.70 60.88 1q8l n MET 18 Cb 0.25 -4.57 -0.11 0.00 2.15 0.00 0.00 33.22 30.94 1q8l n MET 18 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1q8l n THR 19 N 1.75 2.96 0.00 1.12 5.66 -1.26 -3.44 114.28 121.07 1q8l n THR 19 Ca -0.02 -1.80 0.00 0.00 -3.05 0.00 0.00 64.05 59.18 1q8l n THR 19 Cb 0.03 -1.80 0.00 0.00 -1.55 0.00 0.00 70.33 67.01 1q8l n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q8l s HIS 21 N -1.24 -0.39 -0.34 0.00 5.65 -1.22 -5.13 115.29 112.61 1q8l s HIS 21 Ca 0.00 0.40 -0.01 0.00 0.25 0.00 0.00 55.06 55.71 1q8l s HIS 21 Cb 0.00 0.51 0.11 0.00 -1.18 0.00 0.00 32.58 32.02 1q8l s HIS 21 CO 0.00 -0.53 0.15 -1.12 -0.65 0.00 0.00 174.74 172.60 1q8l s SER 22 N -2.06 3.69 -0.06 9.88 0.01 -1.26 -4.55 113.70 119.35 1q8l s SER 22 Ca 0.02 -1.89 0.02 0.00 1.31 0.00 0.00 55.95 55.40 1q8l s SER 22 Cb -0.01 -0.74 0.14 0.00 0.21 0.00 0.00 66.02 65.61 1q8l s SER 22 CO -0.05 -0.37 0.92 0.00 0.41 0.00 0.00 173.24 174.15 1q8l n THR 24 N 0.15 1.34 -0.08 0.00 -2.24 -1.26 -2.44 114.28 109.76 1q8l n THR 24 Ca 0.08 0.36 0.04 0.00 -2.27 0.00 0.00 64.05 62.26 1q8l n THR 24 Cb 0.55 -1.23 0.38 0.00 -2.10 0.00 0.00 70.33 67.93 1q8l n THR 24 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1q8l h SER 25 N 0.00 0.57 0.16 3.42 0.87 -2.02 -0.85 113.55 115.70 1q8l h SER 25 Ca 0.00 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.32 1q8l h SER 25 Cb 0.16 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1q8l h SER 25 CO 0.00 0.40 -0.91 0.71 -0.53 0.00 0.00 176.83 176.50 1q8l h THR 26 N 0.67 1.34 -0.01 2.23 1.35 -1.85 -3.13 112.91 113.51 1q8l h THR 26 Ca 0.21 -2.27 -0.02 0.00 -0.55 0.00 0.00 66.41 63.78 1q8l h THR 26 Cb 0.01 2.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1q8l h THR 26 CO -0.05 0.69 -0.07 0.40 -0.25 0.00 0.00 175.52 176.24 1q8l h ILE 27 N 0.33 1.06 0.15 6.82 2.04 -1.32 -1.29 117.51 125.31 1q8l h ILE 27 Ca -0.08 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1q8l h ILE 27 Cb 1.54 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1q8l h ILE 27 CO 0.17 0.08 -0.15 -0.08 0.00 0.00 0.00 178.15 178.17 1q8l h GLU 28 N 0.02 -0.28 0.00 2.37 4.81 -1.21 -1.58 114.58 118.71 1q8l h GLU 28 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1q8l h GLU 28 Cb 0.14 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1q8l h GLU 28 CO 0.01 -0.19 0.00 0.41 -0.73 0.00 0.00 179.01 178.51 1q8l n GLY 29 N -1.16 -1.26 0.06 1.92 0.00 -1.18 -2.34 105.19 101.23 1q8l n GLY 29 Ca -0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1q8l n GLY 29 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1q8l h LYS 30 N 0.00 0.00 -0.01 1.61 1.63 -1.06 -3.16 116.57 115.59 1q8l h LYS 30 Ca 0.00 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 1q8l h LYS 30 Cb 0.38 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1q8l h LYS 30 CO 0.00 0.38 -0.50 0.82 -3.45 0.00 0.00 179.45 176.70 1q8l h ILE 31 N -1.00 1.36 0.00 2.00 1.08 -1.37 -2.90 117.51 116.68 1q8l h ILE 31 Ca -0.01 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1q8l h ILE 31 Cb 0.41 1.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1q8l h ILE 31 CO -0.01 0.49 0.00 1.23 -0.69 0.00 0.00 178.15 179.17 1q8l h GLY 32 N 1.49 0.00 0.34 5.37 0.00 -1.62 -3.07 103.07 105.58 1q8l h GLY 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q8l h GLY 32 CO 0.07 0.00 -0.39 1.17 0.00 0.00 0.00 176.54 177.39 1q8l n LYS 33 N -2.75 0.57 -1.93 4.80 0.00 -1.10 -4.92 118.16 112.84 1q8l n LYS 33 Ca 0.03 -0.36 -0.42 0.00 0.00 0.00 0.00 58.31 57.56 1q8l n LYS 33 Cb 0.40 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.91 1q8l n LYS 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1q8l s LEU 34 N -2.67 4.35 0.45 3.14 1.43 -1.16 -4.98 118.68 119.24 1q8l s LEU 34 Ca 0.19 2.34 -0.22 0.00 -1.03 0.00 0.00 54.13 55.42 1q8l s LEU 34 Cb 0.18 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 1q8l s LEU 34 CO 0.60 -0.95 1.04 -1.10 0.23 0.00 0.00 176.35 176.17 1q8l s GLN 35 N 4.04 3.94 -0.02 1.70 -0.21 -1.26 -3.49 119.66 124.37 1q8l s GLN 35 Ca 0.77 1.41 0.00 0.00 0.02 0.00 0.00 55.36 57.55 1q8l s GLN 35 Cb -0.36 -2.25 0.00 0.00 1.00 0.00 0.00 33.01 31.40 1q8l s GLN 35 CO 0.32 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 1q8l n GLY 36 N -0.06 0.45 3.60 3.09 0.00 -1.26 -4.57 105.19 106.45 1q8l n GLY 36 Ca 0.08 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1q8l n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q8l s VAL 37 N -2.00 4.68 0.00 1.61 1.01 -1.23 -2.48 120.40 122.00 1q8l s VAL 37 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1q8l s VAL 37 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1q8l s VAL 37 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.55 1q8l n GLN 38 N 3.71 0.00 -3.59 2.72 1.13 -0.53 -4.99 117.38 115.83 1q8l n GLN 38 Ca -0.16 0.07 -0.22 0.00 -1.94 0.00 0.00 57.00 54.75 1q8l n GLN 38 Cb 0.52 -0.42 -0.01 0.00 0.11 0.00 0.00 30.24 30.44 1q8l n GLN 38 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1q8l s ARG 39 N -0.22 3.37 -0.36 -1.09 6.06 -0.89 -4.95 118.95 120.88 1q8l s ARG 39 Ca 0.00 -0.61 0.06 0.00 -2.50 0.00 0.00 55.73 52.68 1q8l s ARG 39 Cb 0.00 -2.76 0.18 0.00 0.06 0.00 0.00 34.95 32.43 1q8l s ARG 39 CO 0.00 0.21 0.57 -1.50 -2.50 0.00 0.00 175.30 172.08 1q8l s ILE 40 N -2.19 -0.90 -0.82 4.11 2.07 -1.26 -1.41 121.20 120.80 1q8l s ILE 40 Ca 0.39 -0.13 -0.00 0.00 -1.41 0.00 0.00 60.65 59.49 1q8l s ILE 40 Cb -0.09 -0.45 0.20 0.00 0.13 0.00 0.00 42.46 42.25 1q8l s ILE 40 CO 0.33 -0.09 0.68 -1.59 -1.91 0.00 0.00 174.94 172.36 1q8l s LYS 41 N 2.15 3.01 0.01 3.50 -2.85 -1.25 -4.98 119.74 119.34 1q8l s LYS 41 Ca 0.14 -3.20 -0.25 0.00 -1.00 0.00 0.00 55.97 51.66 1q8l s LYS 41 Cb -0.08 -3.82 -0.05 0.00 -2.06 0.00 0.00 37.83 31.83 1q8l s LYS 41 CO -0.14 -1.26 0.78 0.08 0.10 0.00 0.00 175.35 174.91 1q8l s VAL 42 N -1.21 4.82 0.72 1.79 1.01 -1.26 -2.90 120.40 123.36 1q8l s VAL 42 Ca 0.26 1.64 -0.10 0.00 0.00 0.00 0.00 61.98 63.77 1q8l s VAL 42 Cb -0.09 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1q8l s VAL 42 CO -0.12 0.32 1.09 -0.55 0.00 0.00 0.00 175.10 175.83 1q8l s SER 43 N 0.26 5.14 -0.14 3.32 0.15 -0.39 -4.91 113.70 117.14 1q8l s SER 43 Ca 0.40 0.92 0.17 0.00 0.70 0.00 0.00 55.95 58.13 1q8l s SER 43 Cb -0.20 -1.64 -0.24 0.00 -1.71 0.00 0.00 66.02 62.23 1q8l s SER 43 CO 0.22 -1.49 0.15 -0.11 1.20 0.00 0.00 173.24 173.22 1q8l n LEU 44 N -3.03 0.00 0.03 3.45 7.94 -1.26 -3.72 117.00 120.41 1q8l n LEU 44 Ca 0.07 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.94 1q8l n LEU 44 Cb 0.59 0.33 -0.02 0.00 0.53 0.00 0.00 43.42 44.85 1q8l n LEU 44 CO 0.56 0.33 0.50 0.44 -1.11 0.00 0.00 177.39 178.12 1q8l h ASP 45 N 0.00 -0.23 -1.15 1.96 5.19 -1.98 -3.38 116.42 116.84 1q8l h ASP 45 Ca -0.36 0.02 -0.38 0.00 -0.62 0.00 0.00 57.03 55.69 1q8l h ASP 45 Cb 1.80 0.08 -0.39 0.00 0.18 0.00 0.00 39.33 41.00 1q8l h ASP 45 CO 0.02 -0.09 -1.16 0.59 -3.12 0.00 0.00 179.24 175.47 1q8l n ASN 46 N -2.83 1.18 -3.98 6.45 3.02 -1.26 -4.72 115.26 113.12 1q8l n ASN 46 Ca -0.02 -2.77 -0.27 0.00 -0.03 0.00 0.00 54.58 51.50 1q8l n ASN 46 Cb 0.07 -0.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.69 1q8l n ASN 46 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1q8l n GLN 47 N -0.01 -0.92 -2.22 3.52 0.00 -1.24 -2.70 117.38 113.81 1q8l n GLN 47 Ca 0.12 0.08 -0.33 0.00 -0.00 0.00 0.00 57.00 56.87 1q8l n GLN 47 Cb 0.79 -3.07 -0.04 0.00 0.00 0.00 0.00 30.24 27.92 1q8l n GLN 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1q8l s GLU 48 N -6.48 2.89 -0.13 3.69 2.12 -1.26 -3.69 118.70 115.84 1q8l s GLU 48 Ca 0.12 -0.40 -0.26 0.00 0.36 0.00 0.00 54.97 54.79 1q8l s GLU 48 Cb -0.07 -5.01 -0.02 0.00 0.26 0.00 0.00 34.13 29.30 1q8l s GLU 48 CO 0.82 -2.90 0.84 0.00 -0.54 0.00 0.00 175.26 173.48 1q8l s ALA 49 N 8.29 3.43 -0.50 6.30 0.00 0.36 -1.26 121.76 138.39 1q8l s ALA 49 Ca 0.61 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1q8l s ALA 49 Cb -0.06 -3.22 0.26 0.00 0.00 0.00 0.00 23.12 20.11 1q8l s ALA 49 CO 0.00 -0.50 0.65 2.41 0.00 0.00 0.00 175.76 178.32 1q8l n THR 50 N 4.45 0.78 -2.49 0.00 -1.04 -1.14 -0.56 114.28 114.28 1q8l n THR 50 Ca 0.04 -4.63 -0.39 0.00 -2.04 0.00 0.00 64.05 57.03 1q8l n THR 50 Cb 0.49 -1.83 -0.04 0.00 -1.82 0.00 0.00 70.33 67.13 1q8l n THR 50 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1q8l s ILE 51 N -2.01 3.56 -0.10 12.58 1.09 -1.23 -3.77 121.20 131.32 1q8l s ILE 51 Ca 0.38 1.38 0.00 0.00 -1.10 0.00 0.00 60.65 61.32 1q8l s ILE 51 Cb 0.18 -3.81 -0.02 0.00 -1.06 0.00 0.00 42.46 37.75 1q8l s ILE 51 CO -0.07 0.19 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.17 1q8l s VAL 52 N -1.39 3.40 -0.01 2.92 1.01 -0.50 -3.42 120.40 122.41 1q8l s VAL 52 Ca 0.51 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1q8l s VAL 52 Cb -0.28 -2.41 0.10 0.00 0.00 0.00 0.00 36.38 33.80 1q8l s VAL 52 CO 0.35 0.56 0.88 -0.72 0.00 0.00 0.00 175.10 176.17 1q8l s TYR 53 N -0.23 -0.35 0.12 5.22 1.13 -0.57 -1.46 117.35 121.20 1q8l s TYR 53 Ca 0.02 0.24 -0.21 0.00 -1.41 0.00 0.00 57.07 55.71 1q8l s TYR 53 Cb -0.13 0.53 -0.07 0.00 -1.10 0.00 0.00 41.96 41.19 1q8l s TYR 53 CO 0.03 -0.54 0.65 1.14 -2.51 0.00 0.00 175.55 174.31 1q8l s GLN 54 N -3.04 4.32 -0.10 -3.49 0.00 -1.03 -1.47 119.66 114.84 1q8l s GLN 54 Ca 0.04 0.88 -0.17 0.00 -0.00 0.00 0.00 55.36 56.11 1q8l s GLN 54 Cb -0.01 -3.20 -0.14 0.00 0.00 0.00 0.00 33.01 29.65 1q8l s GLN 54 CO -0.09 0.59 0.57 -1.00 0.00 0.00 0.00 175.29 175.36 1q8l h PRO 55 N 4.33 -0.07 0.00 9.60 0.13 -1.89 -3.19 132.00 140.90 1q8l h PRO 55 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1q8l h PRO 55 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1q8l h PRO 55 CO 0.64 0.42 0.00 -2.39 -0.23 0.00 0.00 178.00 176.45 1q8l n HIS 56 N -4.77 0.00 -0.06 1.56 1.44 -1.26 -2.54 115.22 109.59 1q8l n HIS 56 Ca -0.06 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.54 1q8l n HIS 56 Cb 0.26 -0.16 -0.10 0.00 0.12 0.00 0.00 29.99 30.11 1q8l n HIS 56 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1q8l h LEU 57 N 0.00 -0.01 -7.16 2.39 -0.00 -1.91 -3.49 115.31 105.12 1q8l h LEU 57 Ca 0.00 -0.73 0.21 0.00 -0.00 0.00 0.00 57.88 57.35 1q8l h LEU 57 Cb 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 40.53 1q8l h LEU 57 CO 0.00 0.84 0.65 -0.51 -0.00 0.00 0.00 178.44 179.42 1q8l s ILE 58 N -2.24 0.00 -0.34 1.22 2.07 -1.05 -4.99 121.20 115.88 1q8l s ILE 58 Ca -0.15 -0.16 -0.07 0.00 -1.41 0.00 0.00 60.65 58.86 1q8l s ILE 58 Cb -0.02 -1.37 0.03 0.00 0.13 0.00 0.00 42.46 41.24 1q8l s ILE 58 CO 0.53 0.00 0.11 -0.44 -1.91 0.00 0.00 174.94 173.24 1q8l s SER 59 N -2.57 5.34 0.48 4.50 0.01 -1.26 -4.69 113.70 115.52 1q8l s SER 59 Ca 0.09 -1.07 0.27 0.00 1.31 0.00 0.00 55.95 56.55 1q8l s SER 59 Cb 0.00 -1.89 1.14 0.00 0.21 0.00 0.00 66.02 65.48 1q8l s SER 59 CO -0.05 -0.32 1.91 0.58 0.41 0.00 0.00 173.24 175.78 1q8l h VAL 60 N 6.10 0.41 0.00 3.43 2.07 -1.97 -2.10 116.25 124.20 1q8l h VAL 60 Ca -0.24 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1q8l h VAL 60 Cb 1.09 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1q8l h VAL 60 CO 0.61 0.15 -0.31 -0.08 0.02 0.00 0.00 177.57 177.95 1q8l h GLU 61 N 0.00 0.00 -0.33 1.57 4.81 -1.99 -1.34 114.58 117.30 1q8l h GLU 61 Ca -0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1q8l h GLU 61 Cb 0.61 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1q8l h GLU 61 CO 0.02 0.31 -0.45 1.49 -0.73 0.00 0.00 179.01 179.66 1q8l h GLU 62 N 0.00 0.85 0.00 1.92 4.81 -1.80 -1.93 114.58 118.43 1q8l h GLU 62 Ca -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1q8l h GLU 62 Cb 0.59 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1q8l h GLU 62 CO 0.04 1.12 0.00 0.52 -0.73 0.00 0.00 179.01 179.96 1q8l h MET 63 N 0.68 0.00 0.00 1.92 2.86 -1.22 -1.45 114.93 117.72 1q8l h MET 63 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1q8l h MET 63 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1q8l h MET 63 CO 0.10 0.00 -1.27 1.63 1.06 0.00 0.00 176.91 178.43 1q8l n LYS 64 N -2.43 0.61 -0.13 1.72 4.01 -0.78 -4.04 118.16 117.13 1q8l n LYS 64 Ca 0.01 0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.73 1q8l n LYS 64 Cb 0.18 -1.74 -0.02 0.00 -0.51 0.00 0.00 35.03 32.95 1q8l n LYS 64 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1q8l h LYS 65 N 0.00 0.67 0.00 1.97 3.64 -0.70 -2.06 116.57 120.09 1q8l h LYS 65 Ca 0.00 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1q8l h LYS 65 Cb 0.99 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1q8l h LYS 65 CO 0.00 0.76 -0.23 -0.56 -2.27 0.00 0.00 179.45 177.15 1q8l h GLN 66 N 0.49 0.00 -0.14 1.90 -0.00 -1.71 1.00 115.11 116.65 1q8l h GLN 66 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.64 1q8l h GLN 66 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.93 1q8l h GLN 66 CO 0.02 0.23 -0.45 0.82 -0.00 0.00 0.00 178.83 179.45 1q8l h ILE 67 N 0.00 1.32 0.00 1.86 2.04 -1.60 -1.33 117.51 119.80 1q8l h ILE 67 Ca -0.00 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1q8l h ILE 67 Cb 0.43 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1q8l h ILE 67 CO 0.03 0.49 -0.18 -0.33 0.00 0.00 0.00 178.15 178.17 1q8l h GLU 68 N 0.28 0.00 0.18 2.37 5.08 -0.51 -0.87 114.58 121.11 1q8l h GLU 68 Ca 0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.07 1q8l h GLU 68 Cb 0.90 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.17 1q8l h GLU 68 CO 0.07 0.00 -1.44 0.00 -1.00 0.00 0.00 179.01 176.65 1q8l h ALA 69 N 2.25 0.03 0.00 3.43 0.00 -0.27 -3.24 119.26 121.45 1q8l h ALA 69 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1q8l h ALA 69 Cb 0.88 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1q8l h ALA 69 CO 0.00 0.89 0.00 0.00 0.00 0.00 0.00 179.25 180.14 1q8l n MET 70 N -3.60 0.19 0.00 0.00 0.00 -0.55 -4.85 117.12 108.30 1q8l n MET 70 Ca -0.15 0.35 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1q8l n MET 70 Cb 1.07 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 32.47 1q8l n MET 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1q8l n GLY 71 N 0.35 0.95 2.96 3.17 0.00 -1.22 -5.08 105.19 106.32 1q8l n GLY 71 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1q8l n GLY 71 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q8l n PHE 72 N 0.00 3.78 -1.61 1.61 3.01 -0.33 -4.96 117.46 118.96 1q8l n PHE 72 Ca 0.00 -4.11 -0.47 0.00 1.01 0.00 0.00 57.45 53.88 1q8l n PHE 72 Cb 0.00 -0.93 -0.03 0.00 -0.01 0.00 0.00 39.48 38.51 1q8l n PHE 72 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1q8l n PRO 73 N 1.96 1.45 -5.00 -1.08 -0.01 -1.26 -3.41 135.00 127.65 1q8l n PRO 73 Ca 0.22 0.51 -0.27 0.00 -0.01 0.00 0.00 63.50 63.96 1q8l n PRO 73 Cb 0.37 -2.03 -0.16 0.00 -0.01 0.00 0.00 33.50 31.67 1q8l n PRO 73 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1q8l s ALA 74 N -0.36 1.72 -1.32 3.55 0.00 -1.26 -0.50 121.76 123.59 1q8l s ALA 74 Ca 0.68 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 1q8l s ALA 74 Cb -0.76 -0.48 0.14 0.00 0.00 0.00 0.00 23.12 22.01 1q8l s ALA 74 CO 0.53 0.38 1.93 1.19 0.00 0.00 0.00 175.76 179.80 1q8l n PHE 75 N 2.77 3.23 -2.04 0.00 3.72 -0.42 -4.82 117.46 119.90 1q8l n PHE 75 Ca -0.16 -2.87 -0.42 0.00 -0.05 0.00 0.00 57.45 53.95 1q8l n PHE 75 Cb 0.53 -2.12 -0.03 0.00 -0.94 0.00 0.00 39.48 36.92 1q8l n PHE 75 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1q8l s VAL 76 N 1.20 2.87 -0.55 -4.37 1.01 -1.26 -2.86 120.40 116.44 1q8l s VAL 76 Ca 0.42 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.90 1q8l s VAL 76 Cb 0.10 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 33.19 1q8l s VAL 76 CO -0.02 0.07 0.51 -0.75 0.00 0.00 0.00 175.10 174.91 1q8l s LYS 77 N 0.62 3.01 0.42 2.72 2.20 0.52 -4.92 119.74 124.31 1q8l s LYS 77 Ca 0.65 -1.74 0.14 0.00 -0.36 0.00 0.00 55.97 54.65 1q8l s LYS 77 Cb -0.41 -4.30 1.01 0.00 -1.51 0.00 0.00 37.83 32.62 1q8l s LYS 77 CO 0.35 -1.33 1.92 0.87 -0.36 0.00 0.00 175.35 176.80 1q8l h LYS 78 N 8.84 0.45 -6.29 4.03 1.79 -1.93 -3.36 116.57 120.09 1q8l h LYS 78 Ca -0.28 -0.03 -0.35 0.00 -2.18 0.00 0.00 60.65 57.81 1q8l h LYS 78 Cb 1.10 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.66 1q8l h LYS 78 CO 1.03 0.30 -0.77 0.94 -1.08 0.00 0.00 179.45 179.86 1q8l n GLN 79 N -4.49 -1.33 -1.90 3.15 7.27 -1.26 -4.85 117.38 113.97 1q8l n GLN 79 Ca 0.14 0.85 -0.41 0.00 0.07 0.00 0.00 57.00 57.65 1q8l n GLN 79 Cb 0.49 -3.60 -0.02 0.00 2.41 0.00 0.00 30.24 29.53 1q8l n GLN 79 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1q8l s PRO 80 N -4.79 4.20 0.78 3.69 0.04 -1.26 -4.97 135.00 132.68 1q8l s PRO 80 Ca 0.13 2.44 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 1q8l s PRO 80 Cb -0.05 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.51 1q8l s PRO 80 CO 0.86 -0.48 1.13 0.21 0.04 0.00 0.00 177.00 178.76 1q8l s LYS 81 N -1.04 2.03 -0.27 4.56 2.20 -1.26 -4.71 119.74 121.24 1q8l s LYS 81 Ca 0.57 1.44 -0.10 0.00 -0.36 0.00 0.00 55.97 57.53 1q8l s LYS 81 Cb -0.45 -1.85 -0.06 0.00 -1.51 0.00 0.00 37.83 33.96 1q8l s LYS 81 CO 0.51 -1.86 0.76 0.66 -0.36 0.00 0.00 175.35 175.06 1q8l n TYR 82 N -3.30 0.19 -0.23 4.03 4.01 -1.26 -4.79 117.16 115.81 1q8l n TYR 82 Ca 0.11 0.13 -0.06 0.00 -0.16 0.00 0.00 57.90 57.91 1q8l n TYR 82 Cb 0.52 -0.68 0.08 0.00 -0.31 0.00 0.00 39.34 38.94 1q8l n TYR 82 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1q8l h LEU 83 N 3.34 1.02 0.00 7.72 -0.00 -2.03 -3.55 115.31 121.81 1q8l h LEU 83 Ca -0.02 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1q8l h LEU 83 Cb 0.38 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1q8l h LEU 83 CO 0.39 0.98 0.00 1.17 -0.00 0.00 0.00 178.44 180.98