#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8l n SER 2 N 0.00 0.00 -2.43 1.61 2.88 -1.26 -4.83 113.62 109.59 1q8l n SER 2 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1q8l n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1q8l n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1q8l n MET 3 N 14.00 -2.31 0.00 -1.46 0.00 -1.26 -4.60 117.12 121.49 1q8l n MET 3 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 57.70 58.22 1q8l n MET 3 Cb 0.00 -5.09 0.00 0.00 0.00 0.00 0.00 33.22 28.13 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 -2.21 0.00 0.01 3.04 0.00 -1.26 -4.91 120.51 115.18 1q8l n ALA 4 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1q8l n ALA 4 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.07 0.00 0.00 4.20 -1.99 -3.44 115.11 113.95 1q8l h GLN 5 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1q8l h GLN 5 Cb 0.39 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1q8l h GLN 5 CO 0.00 0.10 0.00 0.00 -0.67 0.00 0.00 178.83 178.26 1q8l n ALA 6 N -2.13 0.00 -2.73 3.87 0.00 -1.26 -4.95 120.51 113.31 1q8l n ALA 6 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1q8l n ALA 6 Cb 0.05 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.22 0.41 1.30 0.00 0.00 -1.26 -4.91 105.19 100.50 1q8l n GLY 7 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.91 -0.41 -3.98 1.61 0.28 -1.26 -4.99 120.64 109.97 1q8l n GLU 8 Ca -0.01 0.27 -0.09 0.00 -0.16 0.00 0.00 57.16 57.17 1q8l n GLU 8 Cb 0.53 -0.50 -0.11 0.00 1.43 0.00 0.00 31.44 32.78 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 -1.02 0.11 -0.47 3.84 -7.23 0.03 -4.88 120.40 110.78 1q8l s VAL 9 Ca 0.00 -0.93 0.08 0.00 -1.81 0.00 0.00 61.98 59.32 1q8l s VAL 9 Cb 0.00 -0.29 0.37 0.00 0.56 0.00 0.00 36.38 37.02 1q8l s VAL 9 CO 0.00 -0.51 0.91 1.33 -0.31 0.00 0.00 175.10 176.52 1q8l n VAL 10 N 1.56 1.83 -2.58 1.32 0.24 -1.26 -1.92 118.33 117.54 1q8l n VAL 10 Ca -0.24 -4.95 -0.39 0.00 -2.04 0.00 0.00 64.34 56.72 1q8l n VAL 10 Cb 0.55 -0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 32.02 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 -3.15 4.50 -0.45 1.34 1.43 -1.25 -4.97 118.68 116.13 1q8l s LEU 11 Ca 0.44 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 1q8l s LEU 11 Cb 0.34 -3.73 0.08 0.00 0.03 0.00 0.00 46.19 42.90 1q8l s LEU 11 CO -0.11 -0.11 0.33 -0.54 0.23 0.00 0.00 176.35 176.14 1q8l s LYS 12 N -1.57 2.78 -0.45 1.70 3.01 -1.26 -3.33 119.74 120.62 1q8l s LYS 12 Ca 0.46 -1.42 -0.22 0.00 -1.01 0.00 0.00 55.97 53.78 1q8l s LYS 12 Cb -0.28 -3.95 0.03 0.00 -1.01 0.00 0.00 37.83 32.61 1q8l s LYS 12 CO 0.36 -1.00 0.74 -1.64 0.51 0.00 0.00 175.35 174.32 1q8l s MET 13 N 1.53 3.36 -0.93 1.68 -1.94 0.62 -4.31 119.30 119.31 1q8l s MET 13 Ca 0.04 -0.19 -0.10 0.00 -1.71 0.00 0.00 55.69 53.72 1q8l s MET 13 Cb -0.24 -3.94 0.24 0.00 2.01 0.00 0.00 34.83 32.90 1q8l s MET 13 CO 0.04 -1.09 0.88 0.21 -0.01 0.00 0.00 175.02 175.05 1q8l s LYS 14 N 3.15 3.74 1.15 2.03 2.20 -1.22 0.21 119.74 131.01 1q8l s LYS 14 Ca 0.28 -2.83 -0.12 0.00 -0.36 0.00 0.00 55.97 52.94 1q8l s LYS 14 Cb -0.13 -4.39 0.28 0.00 -1.51 0.00 0.00 37.83 32.08 1q8l s LYS 14 CO 0.22 -1.26 1.04 0.08 -0.36 0.00 0.00 175.35 175.06 1q8l s VAL 15 N -0.53 2.00 -0.03 4.02 1.01 -1.15 -0.93 120.40 124.80 1q8l s VAL 15 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1q8l s VAL 15 Cb -0.11 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1q8l s VAL 15 CO -0.08 -0.00 -0.07 -0.70 0.00 0.00 0.00 175.10 174.24 1q8l s GLU 16 N -4.44 2.63 -0.02 2.72 2.12 0.14 -4.56 118.70 117.28 1q8l s GLU 16 Ca 0.69 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1q8l s GLU 16 Cb -0.25 -2.53 0.03 0.00 0.26 0.00 0.00 34.13 31.64 1q8l s GLU 16 CO 0.64 0.63 1.04 0.41 -0.54 0.00 0.00 175.26 177.44 1q8l n GLY 17 N 1.89 2.12 7.00 -1.50 0.00 -1.26 -4.60 105.19 108.83 1q8l n GLY 17 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1q8l n GLY 17 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1q8l n MET 18 N 0.42 0.00 0.00 1.61 1.56 -1.26 -4.40 117.12 115.05 1q8l n MET 18 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 1q8l n MET 18 Cb 0.55 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.92 1q8l n MET 18 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1q8l n THR 19 N 0.00 0.00 -3.39 1.12 -2.24 -1.26 -5.04 114.28 103.46 1q8l n THR 19 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1q8l n THR 19 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1q8l n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q8l n HIS 21 N 5.38 -2.26 -3.99 0.00 8.25 -1.26 -5.07 115.22 116.27 1q8l n HIS 21 Ca -0.04 1.22 -0.10 0.00 -0.26 0.00 0.00 57.72 58.54 1q8l n HIS 21 Cb 0.50 -2.06 -0.07 0.00 1.12 0.00 0.00 29.99 29.49 1q8l n HIS 21 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1q8l s SER 22 N -6.10 0.01 -0.34 0.41 0.01 -1.26 -4.58 113.70 101.85 1q8l s SER 22 Ca 0.00 -0.93 0.16 0.00 1.31 0.00 0.00 55.95 56.49 1q8l s SER 22 Cb 0.00 0.47 0.44 0.00 0.21 0.00 0.00 66.02 67.14 1q8l s SER 22 CO 0.00 -0.96 1.03 0.00 0.41 0.00 0.00 173.24 173.72 1q8l n THR 24 N -0.15 1.22 -0.30 0.00 -2.24 -1.26 -2.31 114.28 109.23 1q8l n THR 24 Ca 0.07 0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 62.11 1q8l n THR 24 Cb 0.82 -1.20 0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1q8l n THR 24 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1q8l h SER 25 N 0.00 1.08 0.11 3.42 4.64 -2.00 -0.54 113.55 120.25 1q8l h SER 25 Ca 0.00 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 1q8l h SER 25 Cb 0.08 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1q8l h SER 25 CO 0.00 0.90 -0.37 0.71 -0.87 0.00 0.00 176.83 177.21 1q8l h THR 26 N 1.17 1.29 -0.41 2.95 1.35 -1.90 -2.46 112.91 114.90 1q8l h THR 26 Ca 0.29 -1.46 -0.09 0.00 -0.55 0.00 0.00 66.41 64.59 1q8l h THR 26 Cb 0.11 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1q8l h THR 26 CO -0.04 0.45 -0.11 0.40 -0.25 0.00 0.00 175.52 175.97 1q8l h ILE 27 N 0.31 1.28 0.03 6.82 2.04 -1.44 -1.30 117.51 125.24 1q8l h ILE 27 Ca 0.03 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1q8l h ILE 27 Cb 0.79 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1q8l h ILE 27 CO 0.06 0.41 -0.01 -0.08 0.00 0.00 0.00 178.15 178.53 1q8l h GLU 28 N 0.62 -0.04 -0.48 2.37 4.22 -0.94 0.66 114.58 121.00 1q8l h GLU 28 Ca 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.49 1q8l h GLU 28 Cb 0.64 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1q8l h GLU 28 CO 0.04 -0.01 0.06 0.78 -2.18 0.00 0.00 179.01 177.70 1q8l h GLY 29 N -0.06 0.81 0.12 1.92 0.00 -1.41 0.34 103.07 104.79 1q8l h GLY 29 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1q8l h GLY 29 CO 0.01 0.46 -0.01 1.70 0.00 0.00 0.00 176.54 178.70 1q8l h LYS 30 N 0.72 -0.02 0.00 4.80 3.64 -1.11 -1.91 116.57 122.69 1q8l h LYS 30 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1q8l h LYS 30 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1q8l h LYS 30 CO 0.01 0.75 0.00 -0.89 -2.27 0.00 0.00 179.45 177.05 1q8l n ILE 31 N -4.70 0.00 -0.03 2.00 2.08 0.21 -2.74 119.36 116.19 1q8l n ILE 31 Ca -0.09 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.20 1q8l n ILE 31 Cb 0.38 -0.60 -0.06 0.00 -0.75 0.00 0.00 39.64 38.61 1q8l n ILE 31 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1q8l n GLY 32 N 0.29 -0.39 1.10 7.39 0.00 0.10 -4.58 105.19 109.11 1q8l n GLY 32 Ca 0.13 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1q8l n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q8l n LYS 33 N -2.20 2.39 -2.44 1.61 4.81 -0.72 -4.96 118.16 116.65 1q8l n LYS 33 Ca -0.11 -2.15 -0.41 0.00 -0.87 0.00 0.00 58.31 54.77 1q8l n LYS 33 Cb 0.65 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 1q8l n LYS 33 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1q8l s LEU 34 N -1.11 4.47 0.40 3.14 0.05 -1.14 -5.03 118.68 119.46 1q8l s LEU 34 Ca 0.40 2.17 -0.07 0.00 0.05 0.00 0.00 54.13 56.68 1q8l s LEU 34 Cb 0.21 -3.61 -0.05 0.00 -2.05 0.00 0.00 46.19 40.69 1q8l s LEU 34 CO 0.28 -0.30 0.72 0.00 -0.55 0.00 0.00 176.35 176.51 1q8l s GLN 35 N -0.33 3.67 0.00 1.48 -2.07 -1.26 -4.06 119.66 117.09 1q8l s GLN 35 Ca 0.51 0.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.32 1q8l s GLN 35 Cb -0.31 -2.45 0.00 0.00 -1.09 0.00 0.00 33.01 29.16 1q8l s GLN 35 CO 0.36 -0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.71 1q8l n GLY 36 N -1.52 0.42 3.89 2.60 0.00 -1.26 -4.75 105.19 104.58 1q8l n GLY 36 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.93 5.44 0.00 1.61 1.01 -1.26 -2.70 120.40 122.57 1q8l s VAL 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1q8l s VAL 37 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1q8l s VAL 37 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.52 1q8l n GLN 38 N 1.28 0.00 -2.97 2.72 6.02 -0.44 -4.95 117.38 119.04 1q8l n GLN 38 Ca -0.14 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.67 1q8l n GLN 38 Cb 0.53 -0.08 0.02 0.00 1.02 0.00 0.00 30.24 31.73 1q8l n GLN 38 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1q8l s ARG 39 N 0.00 2.80 -0.20 -1.09 6.06 -0.74 -4.95 118.95 120.83 1q8l s ARG 39 Ca 0.00 -1.06 -0.12 0.00 -2.50 0.00 0.00 55.73 52.05 1q8l s ARG 39 Cb 0.00 -2.69 0.06 0.00 0.06 0.00 0.00 34.95 32.38 1q8l s ARG 39 CO 0.00 -0.34 0.49 -1.50 -2.50 0.00 0.00 175.30 171.45 1q8l s ILE 40 N -2.44 -0.02 -0.00 4.11 2.07 -1.26 -1.81 121.20 121.85 1q8l s ILE 40 Ca 0.54 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.84 1q8l s ILE 40 Cb -0.10 -0.71 -0.00 0.00 0.13 0.00 0.00 42.46 41.78 1q8l s ILE 40 CO 0.34 0.02 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.84 1q8l s LYS 41 N 1.27 0.12 -0.01 3.50 3.01 -0.64 -4.98 119.74 122.01 1q8l s LYS 41 Ca -0.08 -0.07 -0.00 0.00 -1.01 0.00 0.00 55.97 54.81 1q8l s LYS 41 Cb -0.07 -0.11 0.01 0.00 -1.01 0.00 0.00 37.83 36.65 1q8l s LYS 41 CO -0.12 0.03 0.01 0.08 0.51 0.00 0.00 175.35 175.86 1q8l s VAL 42 N -0.07 -0.02 0.42 3.17 1.01 -1.26 -0.23 120.40 123.42 1q8l s VAL 42 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1q8l s VAL 42 Cb -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 36.38 36.34 1q8l s VAL 42 CO -0.00 0.03 0.50 -0.55 0.00 0.00 0.00 175.10 175.07 1q8l s SER 43 N 0.31 5.42 0.22 3.32 0.15 -0.09 -4.96 113.70 118.07 1q8l s SER 43 Ca -0.03 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1q8l s SER 43 Cb -0.04 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1q8l s SER 43 CO -0.01 -0.73 0.00 0.18 1.20 0.00 0.00 173.24 173.88 1q8l n LEU 44 N -1.74 0.00 0.00 3.45 4.32 -1.26 -3.80 117.00 117.96 1q8l n LEU 44 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1q8l n LEU 44 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1q8l n LEU 44 CO 0.40 -0.31 0.00 0.47 -1.22 0.00 0.00 177.39 176.73 1q8l n ASP 45 N -1.87 0.00 -2.24 -1.43 9.92 -1.26 -2.36 116.55 117.31 1q8l n ASP 45 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 1q8l n ASP 45 Cb 0.00 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 40.62 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1q8l n ASN 46 N 3.36 5.31 -3.96 -2.24 4.13 -1.26 -4.61 115.26 115.98 1q8l n ASN 46 Ca 0.00 -3.69 -0.32 0.00 1.68 0.00 0.00 54.58 52.25 1q8l n ASN 46 Cb 0.00 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.36 1q8l n ASN 46 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1q8l n GLN 47 N -1.05 -0.51 -2.24 3.52 -0.06 -0.99 -2.92 117.38 113.12 1q8l n GLN 47 Ca 0.60 -0.10 -0.37 0.00 -2.00 0.00 0.00 57.00 55.13 1q8l n GLN 47 Cb 1.25 -1.55 -0.03 0.00 -4.06 0.00 0.00 30.24 25.85 1q8l n GLN 47 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1q8l s GLU 48 N -6.68 2.87 -0.24 3.69 -6.30 -1.25 -3.55 118.70 107.25 1q8l s GLU 48 Ca 0.30 0.01 -0.16 0.00 -2.50 0.00 0.00 54.97 52.62 1q8l s GLU 48 Cb -0.17 -4.58 -0.04 0.00 0.00 0.00 0.00 34.13 29.34 1q8l s GLU 48 CO 0.69 -2.64 0.42 0.00 0.02 0.00 0.00 175.26 173.74 1q8l s ALA 49 N 7.91 3.57 -0.51 6.30 0.00 0.13 -0.92 121.76 138.25 1q8l s ALA 49 Ca 0.57 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 1q8l s ALA 49 Cb -0.09 -2.73 0.13 0.00 0.00 0.00 0.00 23.12 20.44 1q8l s ALA 49 CO 0.11 -0.56 0.29 0.99 0.00 0.00 0.00 175.76 176.60 1q8l s THR 50 N 1.87 3.18 -0.14 0.00 2.01 0.69 -0.27 115.64 122.97 1q8l s THR 50 Ca 0.18 -2.74 -0.06 0.00 0.31 0.00 0.00 61.69 59.37 1q8l s THR 50 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1q8l s THR 50 CO 0.09 -0.78 0.09 -0.63 -0.69 0.00 0.00 174.62 172.71 1q8l s ILE 51 N 0.30 5.11 -0.17 1.82 1.09 -1.21 -1.62 121.20 126.51 1q8l s ILE 51 Ca 0.14 0.07 -0.08 0.00 -1.10 0.00 0.00 60.65 59.68 1q8l s ILE 51 Cb -0.22 -3.24 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 1q8l s ILE 51 CO -0.03 0.56 0.10 -0.69 -0.10 0.00 0.00 174.94 174.78 1q8l s VAL 52 N -0.55 5.13 0.35 2.92 1.01 -0.75 -3.91 120.40 124.60 1q8l s VAL 52 Ca 0.11 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 1q8l s VAL 52 Cb -0.12 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1q8l s VAL 52 CO 0.02 0.49 0.66 -0.72 0.00 0.00 0.00 175.10 175.55 1q8l s TYR 53 N 0.03 0.36 -0.39 5.22 1.13 -0.81 -1.32 117.35 121.58 1q8l s TYR 53 Ca 0.08 -0.86 -0.18 0.00 -1.41 0.00 0.00 57.07 54.70 1q8l s TYR 53 Cb -0.12 0.50 0.01 0.00 -1.10 0.00 0.00 41.96 41.25 1q8l s TYR 53 CO 0.00 -1.35 0.48 -0.65 -2.51 0.00 0.00 175.55 171.52 1q8l s GLN 54 N -2.90 3.33 0.04 -3.49 -0.21 -1.10 -0.79 119.66 114.55 1q8l s GLN 54 Ca 0.20 -0.48 -0.24 0.00 0.02 0.00 0.00 55.36 54.85 1q8l s GLN 54 Cb -0.03 -3.90 -0.17 0.00 1.00 0.00 0.00 33.01 29.91 1q8l s GLN 54 CO 0.13 -0.78 1.52 -1.00 -2.12 0.00 0.00 175.29 173.04 1q8l h PRO 55 N 8.65 0.04 -0.05 2.91 0.13 -1.89 -0.46 132.00 141.32 1q8l h PRO 55 Ca -0.27 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1q8l h PRO 55 Cb 1.12 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1q8l h PRO 55 CO 0.79 0.26 0.12 1.12 -0.23 0.00 0.00 178.00 180.06 1q8l h HIS 56 N -0.19 0.00 0.12 1.56 2.07 -1.93 -2.12 115.15 114.66 1q8l h HIS 56 Ca 0.01 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.17 1q8l h HIS 56 Cb 0.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 1q8l h HIS 56 CO 0.00 0.00 -1.93 -0.11 -3.07 0.00 0.00 177.93 172.83 1q8l n LEU 57 N -3.37 2.57 -3.53 6.12 7.94 -0.88 -5.03 117.00 120.82 1q8l n LEU 57 Ca -0.01 0.23 -0.10 0.00 -1.11 0.00 0.00 56.01 55.02 1q8l n LEU 57 Cb 0.20 -1.11 -0.02 0.00 0.53 0.00 0.00 43.42 43.02 1q8l n LEU 57 CO 0.22 0.80 0.49 -0.51 -1.11 0.00 0.00 177.39 177.28 1q8l s ILE 58 N -2.54 0.00 -0.24 1.96 2.07 -0.23 -4.90 121.20 117.32 1q8l s ILE 58 Ca -0.23 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 1q8l s ILE 58 Cb 0.06 -1.22 0.06 0.00 0.13 0.00 0.00 42.46 41.50 1q8l s ILE 58 CO 0.76 0.00 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.81 1q8l s SER 59 N -2.74 3.77 0.41 4.50 1.04 -1.26 -3.88 113.70 115.54 1q8l s SER 59 Ca 0.04 -1.19 0.29 0.00 0.48 0.00 0.00 55.95 55.58 1q8l s SER 59 Cb -0.02 -1.10 1.27 0.00 0.10 0.00 0.00 66.02 66.27 1q8l s SER 59 CO -0.08 -0.26 1.87 0.58 0.98 0.00 0.00 173.24 176.33 1q8l h VAL 60 N 6.64 0.00 -0.49 5.02 2.07 -1.95 -2.23 116.25 125.31 1q8l h VAL 60 Ca -0.17 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 1q8l h VAL 60 Cb 1.07 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1q8l h VAL 60 CO 0.41 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.80 1q8l h GLU 61 N 0.00 0.91 -0.53 1.57 4.22 -1.97 0.82 114.58 119.60 1q8l h GLU 61 Ca 0.00 -0.33 -0.11 0.00 0.08 0.00 0.00 59.36 59.01 1q8l h GLU 61 Cb 0.36 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1q8l h GLU 61 CO 0.00 0.98 -0.08 1.49 -2.18 0.00 0.00 179.01 179.22 1q8l h GLU 62 N 0.81 1.00 0.00 1.92 4.57 -1.83 0.67 114.58 121.71 1q8l h GLU 62 Ca 0.13 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1q8l h GLU 62 Cb 0.65 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1q8l h GLU 62 CO 0.05 1.04 -0.14 0.52 -1.18 0.00 0.00 179.01 179.29 1q8l h MET 63 N 0.87 0.00 0.00 1.92 2.86 -1.36 -1.00 114.93 118.22 1q8l h MET 63 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1q8l h MET 63 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1q8l h MET 63 CO 0.04 0.14 -1.07 1.63 1.06 0.00 0.00 176.91 178.72 1q8l n LYS 64 N -3.93 0.59 -0.18 1.72 4.76 0.24 -3.98 118.16 117.37 1q8l n LYS 64 Ca -0.02 0.09 -0.08 0.00 -2.87 0.00 0.00 58.31 55.43 1q8l n LYS 64 Cb 0.23 -1.79 0.01 0.00 -1.84 0.00 0.00 35.03 31.64 1q8l n LYS 64 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1q8l h LYS 65 N 0.00 0.77 -0.33 1.97 3.64 0.17 0.14 116.57 122.93 1q8l h LYS 65 Ca 0.00 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 1q8l h LYS 65 Cb 0.98 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1q8l h LYS 65 CO 0.00 0.69 -0.19 1.96 -2.27 0.00 0.00 179.45 179.65 1q8l h GLN 66 N 0.68 0.62 -0.08 1.90 1.08 -1.69 0.14 115.11 117.75 1q8l h GLN 66 Ca 0.17 -0.22 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1q8l h GLN 66 Cb 0.22 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1q8l h GLN 66 CO -0.01 0.77 -0.34 0.82 -0.95 0.00 0.00 178.83 179.12 1q8l h ILE 67 N 0.56 1.27 0.00 2.54 2.04 -1.57 -1.53 117.51 120.82 1q8l h ILE 67 Ca 0.09 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 1q8l h ILE 67 Cb 0.63 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1q8l h ILE 67 CO 0.04 0.38 -0.21 -0.33 0.00 0.00 0.00 178.15 178.04 1q8l h GLU 68 N 0.14 0.00 0.14 2.37 5.08 0.12 -1.17 114.58 121.26 1q8l h GLU 68 Ca 0.02 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 1q8l h GLU 68 Cb 0.67 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1q8l h GLU 68 CO 0.05 0.01 -1.26 0.00 -1.00 0.00 0.00 179.01 176.80 1q8l h ALA 69 N 1.99 0.06 0.00 3.43 0.00 0.15 -3.20 119.26 121.70 1q8l h ALA 69 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1q8l h ALA 69 Cb 1.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 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 0.07 0.00 0.00 0.00 -0.66 -4.86 117.12 108.06 1q8l n MET 70 Ca -0.10 0.17 0.00 0.00 0.00 0.00 0.00 57.70 57.77 1q8l n MET 70 Cb 1.02 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 32.64 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 0.76 1.63 2.52 3.17 0.00 -1.21 -5.09 105.19 106.98 1q8l n GLY 71 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 2.49 -1.56 1.61 3.01 -0.45 -4.20 117.46 118.37 1q8l n PHE 72 Ca 0.00 -4.03 -0.52 0.00 1.01 0.00 0.00 57.45 53.91 1q8l n PHE 72 Cb 0.00 -0.47 -0.05 0.00 -0.01 0.00 0.00 39.48 38.95 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 1.44 0.89 -4.10 -1.08 -0.02 -1.26 -3.64 135.00 127.23 1q8l n PRO 73 Ca 0.26 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 1q8l n PRO 73 Cb 0.42 -1.85 -0.16 0.00 -0.02 0.00 0.00 33.50 31.89 1q8l n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q8l s ALA 74 N 0.08 2.39 -1.35 3.55 0.00 -1.26 0.23 121.76 125.39 1q8l s ALA 74 Ca 0.81 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 1q8l s ALA 74 Cb -0.97 -1.26 0.07 0.00 0.00 0.00 0.00 23.12 20.96 1q8l s ALA 74 CO 0.51 -0.46 1.91 1.19 0.00 0.00 0.00 175.76 178.90 1q8l n PHE 75 N 4.61 4.18 -2.52 0.00 3.72 -0.11 -4.81 117.46 122.52 1q8l n PHE 75 Ca -0.20 -2.93 -0.30 0.00 -0.05 0.00 0.00 57.45 53.97 1q8l n PHE 75 Cb 0.49 -2.54 -0.02 0.00 -0.94 0.00 0.00 39.48 36.47 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 3.45 4.72 0.40 -4.37 1.01 -1.26 -3.38 120.40 120.98 1q8l s VAL 76 Ca 0.50 0.76 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1q8l s VAL 76 Cb 0.08 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1q8l s VAL 76 CO 0.01 -0.73 0.00 1.17 0.00 0.00 0.00 175.10 175.55 1q8l n LYS 77 N -1.79 -3.82 -0.08 2.72 3.00 -1.26 -4.79 118.16 112.14 1q8l n LYS 77 Ca 0.04 2.83 -0.07 0.00 -0.00 0.00 0.00 58.31 61.11 1q8l n LYS 77 Cb 0.54 -3.17 -0.00 0.00 0.00 0.00 0.00 35.03 32.40 1q8l n LYS 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1q8l h LYS 78 N 1.57 0.15 -7.14 1.64 1.79 -1.92 -3.42 116.57 109.24 1q8l h LYS 78 Ca 0.00 -0.01 -0.48 0.00 -2.18 0.00 0.00 60.65 57.98 1q8l h LYS 78 Cb 0.00 -0.03 0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1q8l h LYS 78 CO 0.00 0.10 0.32 -0.65 -1.08 0.00 0.00 179.45 178.14 1q8l s GLN 79 N -6.18 3.84 0.03 3.15 -0.21 -1.26 -5.02 119.66 114.02 1q8l s GLN 79 Ca -0.13 0.79 -0.18 0.00 0.02 0.00 0.00 55.36 55.86 1q8l s GLN 79 Cb 0.11 -2.19 -0.09 0.00 1.00 0.00 0.00 33.01 31.84 1q8l s GLN 79 CO 0.70 -0.27 1.27 -1.00 -2.12 0.00 0.00 175.29 173.87 1q8l h PRO 80 N 0.75 -0.58 0.00 2.91 0.13 -1.90 -3.43 132.00 129.89 1q8l h PRO 80 Ca -0.46 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1q8l h PRO 80 Cb 1.19 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1q8l h PRO 80 CO 0.62 -0.38 0.00 1.17 -0.23 0.00 0.00 178.00 179.18 1q8l n LYS 81 N -3.80 0.00 -4.14 0.86 3.00 -1.26 -4.85 118.16 107.98 1q8l n LYS 81 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.94 1q8l n LYS 81 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.23 1q8l n LYS 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1q8l n TYR 82 N 0.00 -1.52 -1.67 5.64 4.02 -1.26 -4.79 117.16 117.58 1q8l n TYR 82 Ca 0.00 0.71 -0.41 0.00 -0.01 0.00 0.00 57.90 58.19 1q8l n TYR 82 Cb 0.00 -3.23 -0.03 0.00 -0.02 0.00 0.00 39.34 36.06 1q8l n TYR 82 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1q8l s LEU 83 N -7.16 3.43 0.00 7.72 1.98 -1.26 -4.99 118.68 118.40 1q8l s LEU 83 Ca 0.17 1.47 0.16 0.00 -2.89 0.00 0.00 54.13 53.04 1q8l s LEU 83 Cb -0.09 -3.16 0.94 0.00 0.66 0.00 0.00 46.19 44.53 1q8l s LEU 83 CO 0.94 -2.22 1.35 1.17 -1.89 0.00 0.00 176.35 175.69