#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 -2.27 -3.78 1.61 2.88 -1.26 -4.96 113.62 105.84 1q8l n SER 2 Ca 0.00 0.50 -0.42 0.00 -1.33 0.00 0.00 58.87 57.62 1q8l n SER 2 Cb 0.00 2.33 0.00 0.00 -0.75 0.00 0.00 64.21 65.79 1q8l n SER 2 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1q8l n MET 3 N -3.03 4.06 -2.91 -1.46 0.00 -1.26 -4.60 117.12 107.92 1q8l n MET 3 Ca 0.00 -3.70 -0.12 0.00 -0.00 0.00 0.00 57.70 53.88 1q8l n MET 3 Cb 0.00 -2.77 -0.00 0.00 0.00 0.00 0.00 33.22 30.44 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 2.81 -0.41 -2.15 -5.12 0.00 -1.26 -5.11 120.51 109.26 1q8l n ALA 4 Ca 0.44 -1.80 -0.43 0.00 0.00 0.00 0.00 53.44 51.65 1q8l n ALA 4 Cb 0.33 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1q8l n ALA 4 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1q8l s GLN 5 N 0.40 3.63 0.00 0.00 1.11 -1.26 -4.97 119.66 118.57 1q8l s GLN 5 Ca 0.32 1.42 -0.10 0.00 0.01 0.00 0.00 55.36 57.01 1q8l s GLN 5 Cb 0.11 -4.07 0.01 0.00 -1.01 0.00 0.00 33.01 28.05 1q8l s GLN 5 CO -0.15 -1.49 0.19 0.00 0.01 0.00 0.00 175.29 173.85 1q8l s ALA 6 N 5.65 -0.46 0.00 6.09 0.00 -1.26 -4.99 121.76 126.79 1q8l s ALA 6 Ca 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1q8l s ALA 6 Cb -0.21 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1q8l s ALA 6 CO 0.31 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1q8l n GLY 7 N 1.36 0.00 2.94 0.00 0.00 -1.26 -5.16 105.19 103.06 1q8l n GLY 7 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1q8l n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q8l s GLU 8 N 0.00 0.15 -0.43 1.61 -1.05 -1.26 -4.56 118.70 113.16 1q8l s GLU 8 Ca 0.00 -0.21 -0.23 0.00 -0.15 0.00 0.00 54.97 54.38 1q8l s GLU 8 Cb 0.00 0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.77 1q8l s GLU 8 CO 0.00 -0.03 0.75 0.14 0.95 0.00 0.00 175.26 177.08 1q8l s VAL 9 N -0.58 4.70 0.12 1.83 -7.23 0.88 -4.89 120.40 115.24 1q8l s VAL 9 Ca -0.06 0.45 -0.15 0.00 -1.81 0.00 0.00 61.98 60.41 1q8l s VAL 9 Cb -0.04 -4.27 -0.07 0.00 0.56 0.00 0.00 36.38 32.56 1q8l s VAL 9 CO -0.00 -0.63 0.54 0.68 -0.31 0.00 0.00 175.10 175.37 1q8l s VAL 10 N 3.15 4.86 0.11 1.32 -7.23 -1.26 -2.10 120.40 119.25 1q8l s VAL 10 Ca 0.29 0.87 0.07 0.00 -1.81 0.00 0.00 61.98 61.39 1q8l s VAL 10 Cb -0.13 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 1q8l s VAL 10 CO 0.21 0.31 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.39 1q8l s LEU 11 N -1.78 2.36 -0.23 1.32 1.43 -0.32 -4.98 118.68 116.49 1q8l s LEU 11 Ca 0.35 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1q8l s LEU 11 Cb -0.16 -0.66 0.11 0.00 0.03 0.00 0.00 46.19 45.51 1q8l s LEU 11 CO 0.19 -0.07 0.29 -0.75 0.23 0.00 0.00 176.35 176.24 1q8l s LYS 12 N -2.33 0.27 -0.00 1.70 2.20 -1.26 -3.30 119.74 117.02 1q8l s LYS 12 Ca 0.07 0.32 0.05 0.00 -0.36 0.00 0.00 55.97 56.05 1q8l s LYS 12 Cb -0.07 -0.86 -0.01 0.00 -1.51 0.00 0.00 37.83 35.38 1q8l s LYS 12 CO 0.04 -0.68 -0.17 -1.64 -0.36 0.00 0.00 175.35 172.54 1q8l s MET 13 N 2.42 1.30 -0.36 4.03 -1.94 -0.34 -0.52 119.30 123.89 1q8l s MET 13 Ca 0.10 -0.64 -0.04 0.00 -1.71 0.00 0.00 55.69 53.40 1q8l s MET 13 Cb -0.15 -1.27 0.07 0.00 2.01 0.00 0.00 34.83 35.49 1q8l s MET 13 CO -0.15 0.34 0.12 0.21 -0.01 0.00 0.00 175.02 175.53 1q8l s LYS 14 N -0.54 2.31 0.78 2.03 2.20 -0.28 -1.12 119.74 125.12 1q8l s LYS 14 Ca 0.06 -1.48 -0.11 0.00 -0.36 0.00 0.00 55.97 54.08 1q8l s LYS 14 Cb -0.07 -3.44 0.06 0.00 -1.51 0.00 0.00 37.83 32.88 1q8l s LYS 14 CO -0.00 -0.83 1.09 0.08 -0.36 0.00 0.00 175.35 175.33 1q8l s VAL 15 N 1.25 3.29 -0.48 4.02 1.01 0.20 -0.27 120.40 129.42 1q8l s VAL 15 Ca 0.01 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 1q8l s VAL 15 Cb -0.21 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.29 1q8l s VAL 15 CO -0.01 -0.55 0.73 -0.70 0.00 0.00 0.00 175.10 174.57 1q8l s GLU 16 N -4.92 3.28 0.27 2.72 2.12 0.15 -4.40 118.70 117.92 1q8l s GLU 16 Ca 0.61 -0.41 0.17 0.00 0.36 0.00 0.00 54.97 55.70 1q8l s GLU 16 Cb -0.17 -4.00 0.93 0.00 0.26 0.00 0.00 34.13 31.15 1q8l s GLU 16 CO 0.56 -1.17 1.51 0.41 -0.54 0.00 0.00 175.26 176.03 1q8l n GLY 17 N 5.07 -0.77 0.97 -1.50 0.00 -1.26 -4.76 105.19 102.94 1q8l n GLY 17 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.10 -2.71 -1.06 1.61 1.56 -1.26 -4.05 117.12 109.11 1q8l n MET 18 Ca -0.01 1.96 -0.15 0.00 -0.27 0.00 0.00 57.70 59.23 1q8l n MET 18 Cb 0.06 -2.17 -0.10 0.00 2.15 0.00 0.00 33.22 33.16 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 -0.08 2.93 0.01 1.12 5.66 -1.26 -3.95 114.28 118.71 1q8l n THR 19 Ca 0.00 -1.78 0.00 0.00 -3.05 0.00 0.00 64.05 59.22 1q8l n THR 19 Cb 0.00 -1.77 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 -2.00 -0.49 -0.44 0.00 5.65 -1.25 -5.13 115.29 111.63 1q8l s HIS 21 Ca 0.00 1.04 -0.09 0.00 0.25 0.00 0.00 55.06 56.26 1q8l s HIS 21 Cb 0.00 0.39 0.10 0.00 -1.18 0.00 0.00 32.58 31.89 1q8l s HIS 21 CO 0.00 -0.33 0.29 -1.12 -0.65 0.00 0.00 174.74 172.93 1q8l s SER 22 N -0.40 5.65 -0.34 9.88 0.01 -1.26 -4.66 113.70 122.57 1q8l s SER 22 Ca -0.01 -1.70 -0.02 0.00 1.31 0.00 0.00 55.95 55.54 1q8l s SER 22 Cb -0.03 -1.99 0.15 0.00 0.21 0.00 0.00 66.02 64.36 1q8l s SER 22 CO -0.01 -0.60 2.31 0.00 0.41 0.00 0.00 173.24 175.35 1q8l n THR 24 N 0.61 0.00 -0.31 0.00 -2.24 -1.26 -3.64 114.28 107.44 1q8l n THR 24 Ca 0.36 -0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1q8l n THR 24 Cb 0.58 -0.44 0.18 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.03 1.01 0.25 3.42 0.87 -2.02 -1.45 113.55 115.66 1q8l h SER 25 Ca 0.00 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 1q8l h SER 25 Cb 0.40 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1q8l h SER 25 CO 0.00 0.72 -0.58 0.71 -0.53 0.00 0.00 176.83 177.15 1q8l h THR 26 N 1.19 1.36 -0.53 2.23 1.35 -1.95 -3.11 112.91 113.45 1q8l h THR 26 Ca 0.34 -1.90 -0.04 0.00 -0.55 0.00 0.00 66.41 64.26 1q8l h THR 26 Cb -0.10 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 1q8l h THR 26 CO -0.08 0.57 0.18 0.40 -0.25 0.00 0.00 175.52 176.34 1q8l h ILE 27 N 0.26 1.20 0.11 6.82 2.04 -1.45 -2.23 117.51 124.27 1q8l h ILE 27 Ca -0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1q8l h ILE 27 Cb 1.09 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1q8l h ILE 27 CO 0.10 0.26 -0.27 -0.08 0.00 0.00 0.00 178.15 178.16 1q8l h GLU 28 N 0.76 -0.41 0.00 2.37 4.22 -1.35 -0.87 114.58 119.30 1q8l h GLU 28 Ca 0.18 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.61 1q8l h GLU 28 Cb 0.20 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1q8l h GLU 28 CO -0.01 -0.27 -0.15 0.78 -2.18 0.00 0.00 179.01 177.17 1q8l h GLY 29 N -0.42 0.00 1.09 1.92 0.00 -1.66 -1.08 103.07 102.91 1q8l h GLY 29 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1q8l h GLY 29 CO -0.12 0.00 -0.23 1.70 0.00 0.00 0.00 176.54 177.89 1q8l h LYS 30 N 0.00 0.94 0.00 4.80 1.63 -1.03 -2.39 116.57 120.52 1q8l h LYS 30 Ca -0.00 -0.42 -0.16 0.00 -0.85 0.00 0.00 60.65 59.22 1q8l h LYS 30 Cb 0.33 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1q8l h LYS 30 CO 0.02 1.08 -0.74 0.82 -3.45 0.00 0.00 179.45 177.18 1q8l h ILE 31 N 0.78 1.44 0.00 2.00 2.04 -0.78 -2.97 117.51 120.02 1q8l h ILE 31 Ca 0.10 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1q8l h ILE 31 Cb 0.81 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1q8l h ILE 31 CO 0.07 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.56 1q8l n GLY 32 N 0.82 -1.33 0.20 5.37 0.00 -0.44 -2.29 105.19 107.50 1q8l n GLY 32 Ca -0.00 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.11 0.78 -2.33 1.61 4.81 -0.92 -4.88 118.16 115.11 1q8l n LYS 33 Ca 0.03 -0.39 -0.43 0.00 -0.87 0.00 0.00 58.31 56.65 1q8l n LYS 33 Cb 0.27 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.80 1q8l n LYS 33 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1q8l s LEU 34 N -2.49 4.17 0.14 3.14 1.43 -0.97 -5.00 118.68 119.09 1q8l s LEU 34 Ca 0.26 1.75 -0.26 0.00 -1.03 0.00 0.00 54.13 54.84 1q8l s LEU 34 Cb 0.20 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 1q8l s LEU 34 CO 0.50 -0.84 0.81 0.00 0.23 0.00 0.00 176.35 177.05 1q8l s GLN 35 N 3.71 4.60 0.00 1.70 -2.07 -1.26 -3.51 119.66 122.83 1q8l s GLN 35 Ca 0.59 1.21 0.00 0.00 -1.82 0.00 0.00 55.36 55.34 1q8l s GLN 35 Cb -0.23 -3.30 0.00 0.00 -1.09 0.00 0.00 33.01 28.38 1q8l s GLN 35 CO 0.19 0.46 0.00 0.41 -1.32 0.00 0.00 175.29 175.03 1q8l n GLY 36 N 1.84 1.08 3.70 2.60 0.00 -1.26 -4.35 105.19 108.80 1q8l n GLY 36 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.45 3.14 0.00 1.61 1.01 -1.23 -2.31 120.40 120.17 1q8l s VAL 37 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1q8l s VAL 37 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1q8l s VAL 37 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.12 1q8l n GLN 38 N 5.02 0.00 -3.73 2.72 1.13 -0.05 -4.92 117.38 117.55 1q8l n GLN 38 Ca 0.14 0.13 -0.26 0.00 -1.94 0.00 0.00 57.00 55.08 1q8l n GLN 38 Cb 0.41 -0.52 -0.03 0.00 0.11 0.00 0.00 30.24 30.21 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 -0.41 3.49 -0.23 -1.09 6.06 -1.16 -4.95 118.95 120.66 1q8l s ARG 39 Ca 0.00 -0.45 -0.05 0.00 -2.50 0.00 0.00 55.73 52.73 1q8l s ARG 39 Cb 0.00 -2.84 0.12 0.00 0.06 0.00 0.00 34.95 32.29 1q8l s ARG 39 CO 0.00 0.39 0.44 -1.50 -2.50 0.00 0.00 175.30 172.13 1q8l s ILE 40 N -1.93 -0.70 -0.28 4.11 2.07 -1.26 -1.06 121.20 122.16 1q8l s ILE 40 Ca 0.37 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.63 1q8l s ILE 40 Cb -0.10 -0.77 0.15 0.00 0.13 0.00 0.00 42.46 41.86 1q8l s ILE 40 CO 0.30 -0.00 0.55 -1.59 -1.91 0.00 0.00 174.94 172.29 1q8l s LYS 41 N 2.64 0.50 0.05 3.50 -2.85 -1.25 -5.01 119.74 117.32 1q8l s LYS 41 Ca 0.05 1.07 0.03 0.00 -1.00 0.00 0.00 55.97 56.12 1q8l s LYS 41 Cb -0.13 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 1q8l s LYS 41 CO -0.15 -0.45 -0.00 0.08 0.10 0.00 0.00 175.35 174.93 1q8l s VAL 42 N 2.78 4.06 0.68 1.79 1.01 -1.26 -1.39 120.40 128.07 1q8l s VAL 42 Ca 0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1q8l s VAL 42 Cb -0.14 -2.88 0.14 0.00 0.00 0.00 0.00 36.38 33.51 1q8l s VAL 42 CO -0.18 0.24 0.93 -0.24 0.00 0.00 0.00 175.10 175.84 1q8l n SER 43 N 0.95 0.83 -4.98 3.32 2.88 -0.18 -4.91 113.62 111.52 1q8l n SER 43 Ca -0.12 -1.80 -0.23 0.00 -1.33 0.00 0.00 58.87 55.39 1q8l n SER 43 Cb 0.52 -0.64 0.04 0.00 -0.75 0.00 0.00 64.21 63.38 1q8l n SER 43 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1q8l s LEU 44 N 0.00 2.86 0.00 2.46 1.43 -1.26 -4.02 118.68 120.16 1q8l s LEU 44 Ca 0.58 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1q8l s LEU 44 Cb -0.03 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1q8l s LEU 44 CO 0.39 -1.31 0.00 0.47 0.23 0.00 0.00 176.35 176.14 1q8l n ASP 45 N -2.08 0.00 -0.17 2.29 9.92 -1.26 -1.87 116.55 123.38 1q8l n ASP 45 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1q8l n ASP 45 Cb 0.63 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.12 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 2.28 0.40 -3.89 -2.24 3.02 -1.26 -4.06 115.26 109.50 1q8l n ASN 46 Ca 0.00 -2.01 -0.24 0.00 -0.03 0.00 0.00 54.58 52.30 1q8l n ASN 46 Cb 0.00 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.31 -0.94 -1.85 3.52 -0.06 -0.78 -0.63 117.38 116.34 1q8l n GLN 47 Ca 0.01 0.06 -0.26 0.00 -2.00 0.00 0.00 57.00 54.82 1q8l n GLN 47 Cb 0.09 -2.69 -0.05 0.00 -4.06 0.00 0.00 30.24 23.52 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 -6.36 2.22 0.08 3.69 2.12 -1.26 -3.82 118.70 115.37 1q8l s GLU 48 Ca 0.01 0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.32 1q8l s GLU 48 Cb -0.01 -4.82 -0.06 0.00 0.26 0.00 0.00 34.13 29.51 1q8l s GLU 48 CO 0.76 -3.60 1.13 0.00 -0.54 0.00 0.00 175.26 173.02 1q8l s ALA 49 N 11.61 3.34 -0.44 6.30 0.00 -0.27 -1.01 121.76 141.29 1q8l s ALA 49 Ca 0.80 0.79 0.08 0.00 0.00 0.00 0.00 51.96 53.62 1q8l s ALA 49 Cb -0.11 -3.40 0.25 0.00 0.00 0.00 0.00 23.12 19.86 1q8l s ALA 49 CO 0.08 -0.34 0.57 2.41 0.00 0.00 0.00 175.76 178.48 1q8l n THR 50 N 3.51 -0.08 -2.93 0.00 -1.04 -0.49 -1.20 114.28 112.05 1q8l n THR 50 Ca 0.07 -4.25 -0.33 0.00 -2.04 0.00 0.00 64.05 57.50 1q8l n THR 50 Cb 0.47 -1.99 -0.06 0.00 -1.82 0.00 0.00 70.33 66.93 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 -1.44 4.52 0.09 12.58 1.09 -1.21 -3.84 121.20 133.00 1q8l s ILE 51 Ca 0.36 1.24 0.08 0.00 -1.10 0.00 0.00 60.65 61.23 1q8l s ILE 51 Cb 0.17 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.92 1q8l s ILE 51 CO -0.09 -0.29 -0.21 -0.69 -0.10 0.00 0.00 174.94 173.56 1q8l s VAL 52 N -2.13 1.70 0.13 2.92 1.01 -0.22 -1.17 120.40 122.64 1q8l s VAL 52 Ca 0.59 -1.50 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 1q8l s VAL 52 Cb -0.10 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.82 1q8l s VAL 52 CO 0.16 -0.03 0.70 -0.72 0.00 0.00 0.00 175.10 175.21 1q8l s TYR 53 N -1.11 -0.45 0.64 5.22 1.13 -0.89 -0.87 117.35 121.02 1q8l s TYR 53 Ca 0.06 0.23 -0.11 0.00 -1.41 0.00 0.00 57.07 55.84 1q8l s TYR 53 Cb -0.10 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1q8l s TYR 53 CO 0.04 -0.80 1.04 1.14 -2.51 0.00 0.00 175.55 174.45 1q8l s GLN 54 N -3.59 3.35 -0.13 -3.49 1.03 -0.98 -0.08 119.66 115.78 1q8l s GLN 54 Ca 0.03 0.85 -0.01 0.00 0.04 0.00 0.00 55.36 56.27 1q8l s GLN 54 Cb -0.01 -2.05 0.03 0.00 0.03 0.00 0.00 33.01 31.01 1q8l s GLN 54 CO -0.10 -0.77 2.30 -0.35 -2.54 0.00 0.00 175.29 173.84 1q8l n PRO 55 N -2.82 1.49 0.00 9.60 -0.04 -1.26 -4.18 135.00 137.79 1q8l n PRO 55 Ca 0.07 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1q8l n PRO 55 Cb 0.54 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1q8l n PRO 55 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1q8l n HIS 56 N 1.26 0.00 -0.08 0.54 1.44 -1.26 -5.01 115.22 112.11 1q8l n HIS 56 Ca 0.19 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.78 1q8l n HIS 56 Cb 0.59 0.03 -0.06 0.00 0.12 0.00 0.00 29.99 30.67 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 0.00 -7.11 2.39 -0.00 -1.86 -3.50 115.31 105.22 1q8l h LEU 57 Ca 0.00 -0.23 0.07 0.00 -0.00 0.00 0.00 57.88 57.72 1q8l h LEU 57 Cb 0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.80 1q8l h LEU 57 CO 0.00 1.03 0.38 -0.51 -0.00 0.00 0.00 178.44 179.35 1q8l s ILE 58 N -2.25 0.00 -0.45 1.22 2.07 -1.26 -5.06 121.20 115.48 1q8l s ILE 58 Ca -0.19 -0.11 -0.23 0.00 -1.41 0.00 0.00 60.65 58.70 1q8l s ILE 58 Cb 0.03 -1.15 0.03 0.00 0.13 0.00 0.00 42.46 41.50 1q8l s ILE 58 CO 0.37 0.00 0.80 -0.44 -1.91 0.00 0.00 174.94 173.75 1q8l s SER 59 N -2.64 6.42 0.40 4.50 0.01 -1.26 -4.88 113.70 116.25 1q8l s SER 59 Ca 0.05 -0.09 0.15 0.00 1.31 0.00 0.00 55.95 57.37 1q8l s SER 59 Cb -0.01 -2.39 0.86 0.00 0.21 0.00 0.00 66.02 64.68 1q8l s SER 59 CO -0.09 -0.93 1.88 0.58 0.41 0.00 0.00 173.24 175.10 1q8l h VAL 60 N 5.99 1.14 0.00 3.43 2.07 -1.98 -2.10 116.25 124.81 1q8l h VAL 60 Ca -0.25 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1q8l h VAL 60 Cb 1.08 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1q8l h VAL 60 CO 0.97 0.30 -0.00 -0.08 0.02 0.00 0.00 177.57 178.77 1q8l h GLU 61 N 0.00 0.00 -0.21 1.57 4.81 -1.99 -0.76 114.58 118.00 1q8l h GLU 61 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1q8l h GLU 61 Cb 0.56 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1q8l h GLU 61 CO 0.04 0.00 -0.33 1.49 -0.73 0.00 0.00 179.01 179.48 1q8l h GLU 62 N 0.00 0.59 0.00 1.92 4.57 -1.79 -2.22 114.58 117.65 1q8l h GLU 62 Ca -0.00 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 57.76 1q8l h GLU 62 Cb 0.02 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1q8l h GLU 62 CO 0.00 0.97 -0.29 0.52 -1.18 0.00 0.00 179.01 179.02 1q8l h MET 63 N 0.27 0.00 0.00 1.92 2.86 -1.27 -1.83 114.93 116.88 1q8l h MET 63 Ca 0.02 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1q8l h MET 63 Cb 0.92 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1q8l h MET 63 CO 0.08 0.29 -0.51 0.87 1.06 0.00 0.00 176.91 178.70 1q8l h LYS 64 N 0.00 0.00 0.00 1.72 1.79 -1.18 -2.76 116.57 116.14 1q8l h LYS 64 Ca -0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1q8l h LYS 64 Cb 0.54 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1q8l h LYS 64 CO 0.04 0.51 -0.41 -0.22 -1.08 0.00 0.00 179.45 178.29 1q8l h LYS 65 N 0.00 0.00 -0.77 3.15 1.63 -0.71 -2.81 116.57 117.06 1q8l h LYS 65 Ca -0.01 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1q8l h LYS 65 Cb 1.01 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.60 1q8l h LYS 65 CO 0.07 0.41 0.34 1.96 -3.45 0.00 0.00 179.45 178.78 1q8l h GLN 66 N 0.00 1.12 -0.00 1.90 4.20 -1.33 0.26 115.11 121.25 1q8l h GLN 66 Ca -0.00 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 1q8l h GLN 66 Cb 0.81 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1q8l h GLN 66 CO 0.05 0.88 -0.16 0.82 -0.67 0.00 0.00 178.83 179.75 1q8l h ILE 67 N 1.10 1.12 0.00 2.54 2.04 -1.54 -0.82 117.51 121.95 1q8l h ILE 67 Ca 0.26 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 1q8l h ILE 67 Cb 0.15 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1q8l h ILE 67 CO -0.03 0.16 -1.06 -0.33 0.00 0.00 0.00 178.15 176.89 1q8l h GLU 68 N 0.00 0.00 -0.04 2.37 5.08 -1.12 0.11 114.58 120.97 1q8l h GLU 68 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1q8l h GLU 68 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1q8l h GLU 68 CO 0.02 0.29 -0.90 0.00 -1.00 0.00 0.00 179.01 177.43 1q8l h ALA 69 N 1.55 0.34 0.00 3.43 0.00 0.44 -3.05 119.26 121.97 1q8l h ALA 69 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1q8l h ALA 69 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1q8l h ALA 69 CO 0.04 0.75 0.00 0.00 0.00 0.00 0.00 179.25 180.04 1q8l n MET 70 N -3.82 0.09 0.00 0.00 0.00 -0.41 -4.89 117.12 108.09 1q8l n MET 70 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1q8l n MET 70 Cb 0.81 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.39 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 0.75 0.82 3.19 3.17 0.00 -1.15 -5.09 105.19 106.86 1q8l n GLY 71 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1q8l n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q8l s PHE 72 N -1.53 3.53 0.15 1.61 0.40 0.37 -4.97 117.98 117.54 1q8l s PHE 72 Ca 0.00 -2.38 -0.34 0.00 -0.60 0.00 0.00 56.93 53.61 1q8l s PHE 72 Cb 0.00 -3.44 -0.15 0.00 0.51 0.00 0.00 43.02 39.93 1q8l s PHE 72 CO 0.00 -0.91 1.34 -2.30 0.70 0.00 0.00 175.22 174.05 1q8l n PRO 73 N 3.80 1.49 -3.83 0.24 -0.01 -1.26 -2.97 135.00 132.46 1q8l n PRO 73 Ca 0.08 0.54 -0.34 0.00 -0.01 0.00 0.00 63.50 63.76 1q8l n PRO 73 Cb 0.41 -2.16 -0.12 0.00 -0.01 0.00 0.00 33.50 31.62 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 0.26 3.26 -0.60 3.55 0.00 -1.26 -0.67 121.76 126.30 1q8l s ALA 74 Ca 0.77 -2.87 -0.26 0.00 0.00 0.00 0.00 51.96 49.60 1q8l s ALA 74 Cb -0.82 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1q8l s ALA 74 CO 0.47 -1.91 2.34 -0.06 0.00 0.00 0.00 175.76 176.61 1q8l s PHE 75 N 0.51 1.17 0.73 0.00 0.08 0.62 -4.57 117.98 116.53 1q8l s PHE 75 Ca 0.13 1.58 -0.15 0.00 0.12 0.00 0.00 56.93 58.60 1q8l s PHE 75 Cb -0.22 -3.61 0.04 0.00 -0.57 0.00 0.00 43.02 38.67 1q8l s PHE 75 CO -0.04 -2.22 1.23 0.08 -0.10 0.00 0.00 175.22 174.17 1q8l s VAL 76 N 12.55 2.12 0.00 -0.44 1.01 -1.26 -1.13 120.40 133.25 1q8l s VAL 76 Ca 0.92 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1q8l s VAL 76 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1q8l s VAL 76 CO 0.20 -0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.56 1q8l n LYS 77 N -2.70 0.00 -1.84 2.72 5.02 0.32 -4.87 118.16 116.82 1q8l n LYS 77 Ca 0.14 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 1q8l n LYS 77 Cb 0.50 -0.30 -0.03 0.00 -0.02 0.00 0.00 35.03 35.18 1q8l n LYS 77 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1q8l s LYS 78 N -1.61 3.04 0.04 1.97 2.36 -1.08 -4.40 119.74 120.06 1q8l s LYS 78 Ca 0.00 1.50 0.00 0.00 -2.55 0.00 0.00 55.97 54.92 1q8l s LYS 78 Cb 0.00 -4.32 0.00 0.00 -1.05 0.00 0.00 37.83 32.46 1q8l s LYS 78 CO 0.00 -2.21 0.00 0.94 1.55 0.00 0.00 175.35 175.63 1q8l n GLN 79 N 8.69 0.00 0.00 4.03 0.00 -1.26 -4.77 117.38 124.06 1q8l n GLN 79 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.26 1q8l n GLN 79 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.72 1q8l n GLN 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1q8l n PRO 80 N -2.54 0.00 -1.52 3.69 -0.04 -1.26 -4.99 135.00 128.34 1q8l n PRO 80 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1q8l n PRO 80 Cb 0.00 -0.12 0.02 0.00 -0.04 0.00 0.00 33.50 33.36 1q8l n PRO 80 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1q8l n LYS 81 N -0.30 0.30 -3.41 0.54 2.85 -1.26 -5.02 118.16 111.86 1q8l n LYS 81 Ca 0.00 -0.35 -0.21 0.00 -1.05 0.00 0.00 58.31 56.70 1q8l n LYS 81 Cb 0.00 0.23 0.06 0.00 -0.65 0.00 0.00 35.03 34.67 1q8l n LYS 81 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1q8l n TYR 82 N -0.34 -2.26 -0.06 5.58 4.02 -1.26 -4.97 117.16 117.87 1q8l n TYR 82 Ca -0.06 0.71 -0.03 0.00 -0.01 0.00 0.00 57.90 58.50 1q8l n TYR 82 Cb 0.55 -3.87 -0.01 0.00 -0.02 0.00 0.00 39.34 36.00 1q8l n TYR 82 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1q8l h LEU 83 N -1.38 0.00 0.00 7.72 3.38 -1.96 -3.54 115.31 119.53 1q8l h LEU 83 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1q8l h LEU 83 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1q8l h LEU 83 CO 0.45 0.61 0.00 0.29 0.09 0.00 0.00 178.44 179.89