#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 7.00 -0.77 1.61 0.15 -1.26 -4.80 113.70 115.63 1q8l s SER 2 Ca 0.00 1.21 -0.23 0.00 0.70 0.00 0.00 55.95 57.63 1q8l s SER 2 Cb 0.00 -2.42 0.07 0.00 -1.71 0.00 0.00 66.02 61.96 1q8l s SER 2 CO 0.00 -0.13 1.11 -0.32 1.20 0.00 0.00 173.24 175.10 1q8l s MET 3 N 0.85 3.28 0.00 5.44 1.75 -1.26 -4.79 119.30 124.56 1q8l s MET 3 Ca 0.38 -0.94 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 1q8l s MET 3 Cb -0.18 -4.49 0.00 0.00 2.84 0.00 0.00 34.83 33.00 1q8l s MET 3 CO 0.18 -1.92 0.00 0.00 -0.65 0.00 0.00 175.02 172.64 1q8l n ALA 4 N 7.94 0.00 0.09 4.11 0.00 -1.26 -5.06 120.51 126.32 1q8l n ALA 4 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1q8l n ALA 4 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1q8l n ALA 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q8l n GLN 5 N 0.00 0.00 -0.04 0.00 3.00 -1.26 -4.90 117.38 114.18 1q8l n GLN 5 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1q8l n GLN 5 Cb 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 30.24 29.90 1q8l n GLN 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q8l n ALA 6 N -3.37 1.98 -1.02 -1.58 0.00 -1.26 -4.57 120.51 110.69 1q8l n ALA 6 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.61 1q8l n ALA 6 Cb 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 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 2.02 3.60 3.47 0.00 0.00 -1.26 -4.81 105.19 108.20 1q8l n GLY 7 Ca -0.14 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.73 0.85 -0.24 1.61 -1.05 -1.26 -3.90 118.70 113.99 1q8l s GLU 8 Ca 0.43 0.42 -0.04 0.00 -0.15 0.00 0.00 54.97 55.63 1q8l s GLU 8 Cb 0.26 0.40 0.09 0.00 -0.44 0.00 0.00 34.13 34.44 1q8l s GLU 8 CO -0.07 -0.20 0.16 0.14 0.95 0.00 0.00 175.26 176.24 1q8l s VAL 9 N -0.60 -0.18 -1.36 1.83 -7.23 -0.39 -4.87 120.40 107.60 1q8l s VAL 9 Ca -0.07 -0.41 -0.08 0.00 -1.81 0.00 0.00 61.98 59.61 1q8l s VAL 9 Cb -0.03 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 1q8l s VAL 9 CO 0.05 -0.45 2.82 1.33 -0.31 0.00 0.00 175.10 178.54 1q8l n VAL 10 N 5.28 4.50 -2.78 1.32 0.24 -1.26 -3.30 118.33 122.33 1q8l n VAL 10 Ca -0.06 -3.09 -0.35 0.00 -2.04 0.00 0.00 64.34 58.80 1q8l n VAL 10 Cb 0.46 -2.35 -0.06 0.00 -1.47 0.00 0.00 33.84 30.41 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 -0.70 4.14 -0.02 1.34 1.43 -1.26 -4.95 118.68 118.67 1q8l s LEU 11 Ca 0.64 1.78 0.03 0.00 -1.03 0.00 0.00 54.13 55.55 1q8l s LEU 11 Cb 0.20 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 1q8l s LEU 11 CO -0.07 -0.24 -0.09 -0.75 0.23 0.00 0.00 176.35 175.43 1q8l s LYS 12 N -2.62 2.56 -0.02 1.70 2.36 0.05 -3.77 119.74 120.01 1q8l s LYS 12 Ca 0.56 -0.69 0.03 0.00 -2.55 0.00 0.00 55.97 53.32 1q8l s LYS 12 Cb -0.14 -2.48 -0.00 0.00 -1.05 0.00 0.00 37.83 34.15 1q8l s LYS 12 CO 0.19 0.62 -0.10 -1.64 1.55 0.00 0.00 175.35 175.97 1q8l s MET 13 N -1.18 0.95 -0.58 4.03 -1.94 0.76 -4.34 119.30 117.00 1q8l s MET 13 Ca 0.15 -0.33 0.04 0.00 -1.71 0.00 0.00 55.69 53.84 1q8l s MET 13 Cb -0.11 -0.89 0.15 0.00 2.01 0.00 0.00 34.83 35.99 1q8l s MET 13 CO 0.05 0.15 0.35 0.21 -0.01 0.00 0.00 175.02 175.77 1q8l s LYS 14 N 0.06 2.05 1.12 2.03 2.20 -1.21 -1.02 119.74 124.97 1q8l s LYS 14 Ca -0.01 -2.81 -0.13 0.00 -0.36 0.00 0.00 55.97 52.66 1q8l s LYS 14 Cb -0.07 -3.18 0.24 0.00 -1.51 0.00 0.00 37.83 33.30 1q8l s LYS 14 CO 0.00 -1.19 0.89 0.28 -0.36 0.00 0.00 175.35 174.97 1q8l n VAL 15 N 2.71 0.00 -3.38 4.02 0.31 -0.94 -0.85 118.33 120.20 1q8l n VAL 15 Ca 0.12 -0.35 -0.39 0.00 -0.01 0.00 0.00 64.34 63.72 1q8l n VAL 15 Cb 0.34 -0.93 -0.08 0.00 -0.91 0.00 0.00 33.84 32.26 1q8l n VAL 15 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1q8l s GLU 16 N -4.29 4.12 0.00 5.55 2.12 0.17 -4.56 118.70 121.80 1q8l s GLU 16 Ca 0.66 0.16 0.00 0.00 0.36 0.00 0.00 54.97 56.16 1q8l s GLU 16 Cb -0.23 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.58 1q8l s GLU 16 CO 0.64 -0.13 0.83 0.41 -0.54 0.00 0.00 175.26 176.47 1q8l n GLY 17 N 4.17 1.79 7.00 -1.50 0.00 -1.26 -4.75 105.19 110.64 1q8l n GLY 17 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.39 0.00 0.00 1.61 1.56 -1.26 -4.51 117.12 114.91 1q8l n MET 18 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1q8l n MET 18 Cb 0.42 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.79 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 0.00 0.00 -0.21 1.12 5.66 -1.26 -5.00 114.28 114.59 1q8l n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1q8l n THR 19 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 0.57 -0.46 0.00 3.76 -1.26 -5.10 115.29 112.81 1q8l s HIS 21 Ca 0.00 -1.80 -0.23 0.00 -0.15 0.00 0.00 55.06 52.88 1q8l s HIS 21 Cb 0.00 -0.74 0.03 0.00 1.11 0.00 0.00 32.58 32.98 1q8l s HIS 21 CO 0.00 -0.89 0.77 -1.12 -0.85 0.00 0.00 174.74 172.65 1q8l s SER 22 N 0.57 6.39 0.00 1.40 0.01 -1.26 -4.91 113.70 115.90 1q8l s SER 22 Ca 0.27 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1q8l s SER 22 Cb -0.06 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1q8l s SER 22 CO -0.11 -0.91 0.58 0.00 0.41 0.00 0.00 173.24 173.21 1q8l n THR 24 N 0.11 1.32 -0.31 0.00 -2.24 -1.26 -2.24 114.28 109.66 1q8l n THR 24 Ca 0.00 0.55 -0.02 0.00 -2.27 0.00 0.00 64.05 62.31 1q8l n THR 24 Cb 0.29 -1.51 0.11 0.00 -2.10 0.00 0.00 70.33 67.12 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 0.91 0.53 3.42 0.87 -2.02 -0.82 113.55 116.44 1q8l h SER 25 Ca 0.00 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1q8l h SER 25 Cb 0.07 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1q8l h SER 25 CO 0.00 0.63 -0.67 0.71 -0.53 0.00 0.00 176.83 176.97 1q8l h THR 26 N 1.07 1.44 0.00 2.23 1.35 -1.82 -2.99 112.91 114.19 1q8l h THR 26 Ca 0.34 -2.19 -0.05 0.00 -0.55 0.00 0.00 66.41 63.96 1q8l h THR 26 Cb 0.01 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 1q8l h THR 26 CO -0.12 0.64 -0.23 0.40 -0.25 0.00 0.00 175.52 175.96 1q8l h ILE 27 N 0.08 0.82 -0.01 6.82 2.04 -1.27 -3.09 117.51 122.91 1q8l h ILE 27 Ca -0.01 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1q8l h ILE 27 Cb 1.19 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 38.75 1q8l h ILE 27 CO 0.10 0.22 -0.54 -0.08 0.00 0.00 0.00 178.15 177.85 1q8l h GLU 28 N 0.00 -0.64 0.00 2.37 4.22 -1.14 -0.12 114.58 119.26 1q8l h GLU 28 Ca -0.00 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.46 1q8l h GLU 28 Cb 0.52 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1q8l h GLU 28 CO 0.03 -0.43 -0.12 0.78 -2.18 0.00 0.00 179.01 177.09 1q8l h GLY 29 N -0.67 0.00 0.61 1.92 0.00 -1.72 -2.15 103.07 101.07 1q8l h GLY 29 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1q8l h GLY 29 CO -0.37 0.00 -0.02 1.70 0.00 0.00 0.00 176.54 177.85 1q8l h LYS 30 N 0.00 0.08 -0.42 4.80 3.64 -1.11 -1.39 116.57 122.17 1q8l h LYS 30 Ca -0.00 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1q8l h LYS 30 Cb 0.40 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1q8l h LYS 30 CO 0.02 0.49 0.02 0.82 -2.27 0.00 0.00 179.45 178.52 1q8l h ILE 31 N -0.33 1.22 0.00 2.00 1.08 -0.89 -1.99 117.51 118.60 1q8l h ILE 31 Ca 0.01 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1q8l h ILE 31 Cb 0.47 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1q8l h ILE 31 CO 0.01 0.31 0.00 1.23 -0.69 0.00 0.00 178.15 179.00 1q8l h GLY 32 N 0.92 0.00 -0.39 5.37 0.00 -1.31 -3.05 103.07 104.61 1q8l h GLY 32 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1q8l h GLY 32 CO 0.01 0.00 -0.33 1.17 0.00 0.00 0.00 176.54 177.39 1q8l n LYS 33 N -3.08 1.09 -1.70 4.80 4.81 -0.53 -4.98 118.16 118.56 1q8l n LYS 33 Ca 0.02 -0.78 -0.43 0.00 -0.87 0.00 0.00 58.31 56.25 1q8l n LYS 33 Cb 0.40 -1.48 -0.02 0.00 0.02 0.00 0.00 35.03 33.95 1q8l n LYS 33 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1q8l n LEU 34 N -0.28 3.60 -4.80 3.14 4.77 -0.98 -4.98 117.00 117.47 1q8l n LEU 34 Ca 0.11 1.16 -0.39 0.00 -0.03 0.00 0.00 56.01 56.87 1q8l n LEU 34 Cb 0.41 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 1q8l n LEU 34 CO 0.26 -0.30 0.28 -1.10 -1.33 0.00 0.00 177.39 175.21 1q8l s GLN 35 N -0.86 4.23 0.00 3.23 1.11 -1.26 -3.86 119.66 122.25 1q8l s GLN 35 Ca 0.63 0.76 0.00 0.00 0.01 0.00 0.00 55.36 56.77 1q8l s GLN 35 Cb -0.58 -3.25 0.00 0.00 -1.01 0.00 0.00 33.01 28.17 1q8l s GLN 35 CO 0.53 0.61 0.00 0.41 0.01 0.00 0.00 175.29 176.85 1q8l n GLY 36 N 1.78 0.65 3.73 3.09 0.00 -1.26 -4.70 105.19 108.47 1q8l n GLY 36 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.57 4.98 0.00 1.61 1.01 -1.25 -1.55 120.40 122.62 1q8l s VAL 37 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1q8l s VAL 37 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1q8l s VAL 37 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1q8l n GLN 38 N 3.36 0.00 -2.85 2.72 6.02 -0.20 -4.91 117.38 121.52 1q8l n GLN 38 Ca -0.03 0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1q8l n GLN 38 Cb 0.51 -0.27 0.03 0.00 1.02 0.00 0.00 30.24 31.53 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 -0.31 2.64 -0.21 -1.09 6.06 -0.97 -3.77 118.95 121.29 1q8l s ARG 39 Ca 0.00 -1.08 -0.12 0.00 -2.50 0.00 0.00 55.73 52.04 1q8l s ARG 39 Cb 0.00 -2.63 0.07 0.00 0.06 0.00 0.00 34.95 32.45 1q8l s ARG 39 CO 0.00 -0.52 0.52 -1.50 -2.50 0.00 0.00 175.30 171.29 1q8l s ILE 40 N -2.56 -0.08 -0.38 4.11 2.07 -1.26 -2.27 121.20 120.84 1q8l s ILE 40 Ca 0.57 0.06 0.06 0.00 -1.41 0.00 0.00 60.65 59.93 1q8l s ILE 40 Cb -0.10 -0.77 0.17 0.00 0.13 0.00 0.00 42.46 41.90 1q8l s ILE 40 CO 0.36 0.02 0.54 -1.59 -1.91 0.00 0.00 174.94 172.36 1q8l s LYS 41 N 1.60 0.71 -0.13 3.50 0.00 -1.26 -5.00 119.74 119.15 1q8l s LYS 41 Ca -0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 55.97 55.50 1q8l s LYS 41 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 37.83 37.57 1q8l s LYS 41 CO -0.16 -1.16 0.14 0.08 0.00 0.00 0.00 175.35 174.25 1q8l s VAL 42 N 1.90 5.48 0.80 1.79 1.01 -1.26 -1.89 120.40 128.23 1q8l s VAL 42 Ca 0.15 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 1q8l s VAL 42 Cb -0.09 -3.40 0.13 0.00 0.00 0.00 0.00 36.38 33.02 1q8l s VAL 42 CO -0.10 0.59 1.11 -0.55 0.00 0.00 0.00 175.10 176.14 1q8l s SER 43 N -0.78 4.07 0.62 3.32 0.15 -0.73 -4.91 113.70 115.43 1q8l s SER 43 Ca 0.14 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.90 1q8l s SER 43 Cb -0.12 -0.42 0.09 0.00 -1.71 0.00 0.00 66.02 63.87 1q8l s SER 43 CO 0.03 -2.08 0.86 -0.76 1.20 0.00 0.00 173.24 172.49 1q8l s LEU 44 N -5.42 3.12 0.00 3.45 1.02 -1.26 -3.96 118.68 115.63 1q8l s LEU 44 Ca 0.67 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.30 1q8l s LEU 44 Cb -0.06 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.16 1q8l s LEU 44 CO 0.47 -1.49 0.00 0.47 0.02 0.00 0.00 176.35 175.82 1q8l n ASP 45 N -2.47 0.00 -0.18 2.29 9.92 -1.26 -2.33 116.55 122.52 1q8l n ASP 45 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1q8l n ASP 45 Cb 0.61 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.10 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 2.25 0.40 -4.02 -2.24 3.02 -1.26 -4.20 115.26 109.20 1q8l n ASN 46 Ca 0.00 -2.01 -0.40 0.00 -0.03 0.00 0.00 54.58 52.15 1q8l n ASN 46 Cb 0.00 -0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.36 -2.26 3.52 7.27 -0.98 -2.22 117.38 122.04 1q8l n GLN 47 Ca 0.01 -0.01 -0.33 0.00 0.07 0.00 0.00 57.00 56.74 1q8l n GLN 47 Cb 0.09 -1.90 -0.04 0.00 2.41 0.00 0.00 30.24 30.80 1q8l n GLN 47 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1q8l s GLU 48 N -7.02 3.00 0.04 3.69 2.12 -1.25 -3.55 118.70 115.72 1q8l s GLU 48 Ca 0.40 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1q8l s GLU 48 Cb -0.23 -5.23 -0.05 0.00 0.26 0.00 0.00 34.13 28.88 1q8l s GLU 48 CO 0.82 -3.02 1.23 0.00 -0.54 0.00 0.00 175.26 173.75 1q8l s ALA 49 N 8.15 3.44 -0.42 6.30 0.00 -0.19 -1.77 121.76 137.27 1q8l s ALA 49 Ca 0.61 0.84 0.10 0.00 0.00 0.00 0.00 51.96 53.52 1q8l s ALA 49 Cb -0.03 -3.48 0.38 0.00 0.00 0.00 0.00 23.12 19.99 1q8l s ALA 49 CO -0.00 -0.54 0.88 2.41 0.00 0.00 0.00 175.76 178.51 1q8l n THR 50 N 4.09 1.22 -2.22 0.00 -1.04 -0.79 -0.17 114.28 115.36 1q8l n THR 50 Ca 0.10 -4.61 -0.39 0.00 -2.04 0.00 0.00 64.05 57.11 1q8l n THR 50 Cb 0.46 -0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 68.44 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 -3.47 2.97 -0.08 12.58 1.09 -1.25 -4.10 121.20 128.94 1q8l s ILE 51 Ca 0.41 0.89 -0.02 0.00 -1.10 0.00 0.00 60.65 60.83 1q8l s ILE 51 Cb 0.36 -3.53 -0.03 0.00 -1.06 0.00 0.00 42.46 38.20 1q8l s ILE 51 CO -0.09 0.14 -0.00 -0.69 -0.10 0.00 0.00 174.94 174.21 1q8l s VAL 52 N -1.28 4.30 0.18 2.92 1.01 -0.96 -3.99 120.40 122.58 1q8l s VAL 52 Ca 0.53 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 1q8l s VAL 52 Cb -0.35 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.26 1q8l s VAL 52 CO 0.45 0.60 0.51 -0.72 0.00 0.00 0.00 175.10 175.94 1q8l s TYR 53 N -0.89 -0.18 -0.37 5.22 1.13 -1.21 -1.04 117.35 120.02 1q8l s TYR 53 Ca 0.13 -0.15 -0.24 0.00 -1.41 0.00 0.00 57.07 55.41 1q8l s TYR 53 Cb -0.11 0.39 0.01 0.00 -1.10 0.00 0.00 41.96 41.15 1q8l s TYR 53 CO 0.02 -0.87 0.83 1.14 -2.51 0.00 0.00 175.55 174.16 1q8l s GLN 54 N -3.85 3.76 0.39 -3.49 -2.07 -0.60 -1.26 119.66 112.54 1q8l s GLN 54 Ca 0.07 0.37 0.09 0.00 -1.82 0.00 0.00 55.36 54.07 1q8l s GLN 54 Cb -0.00 -3.82 0.79 0.00 -1.09 0.00 0.00 33.01 28.89 1q8l s GLN 54 CO -0.06 -0.90 1.94 -1.00 -1.32 0.00 0.00 175.29 173.95 1q8l h PRO 55 N 8.52 0.30 0.00 9.60 0.13 -1.83 -2.10 132.00 146.63 1q8l h PRO 55 Ca -0.24 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1q8l h PRO 55 Cb 1.09 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1q8l h PRO 55 CO 0.94 0.38 0.00 1.12 -0.23 0.00 0.00 178.00 180.21 1q8l h HIS 56 N 0.29 0.00 0.00 1.56 2.07 -1.94 -3.03 115.15 114.10 1q8l h HIS 56 Ca 0.06 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.57 1q8l h HIS 56 Cb 0.30 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.27 1q8l h HIS 56 CO 0.01 0.00 -0.10 1.25 -3.07 0.00 0.00 177.93 176.02 1q8l h LEU 57 N 0.00 0.00 -7.05 6.12 7.12 -1.74 -3.50 115.31 116.27 1q8l h LEU 57 Ca 0.00 -0.46 0.26 0.00 0.13 0.00 0.00 57.88 57.82 1q8l h LEU 57 Cb 0.05 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 40.00 1q8l h LEU 57 CO 0.00 0.78 0.80 -0.51 -0.13 0.00 0.00 178.44 179.39 1q8l s ILE 58 N -1.92 0.00 -0.29 4.05 2.07 -1.14 -5.03 121.20 118.94 1q8l s ILE 58 Ca -0.11 -0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 58.92 1q8l s ILE 58 Cb -0.01 -1.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.36 1q8l s ILE 58 CO 0.34 0.00 0.44 -0.94 -1.91 0.00 0.00 174.94 172.87 1q8l s SER 59 N -2.34 6.30 0.51 4.50 1.04 -1.26 -4.66 113.70 117.79 1q8l s SER 59 Ca 0.10 0.24 0.34 0.00 0.48 0.00 0.00 55.95 57.11 1q8l s SER 59 Cb 0.00 -2.24 1.66 0.00 0.10 0.00 0.00 66.02 65.54 1q8l s SER 59 CO -0.04 -0.28 2.03 0.58 0.98 0.00 0.00 173.24 176.50 1q8l h VAL 60 N 5.45 0.00 -0.56 5.02 2.07 -1.96 -1.34 116.25 124.93 1q8l h VAL 60 Ca -0.30 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1q8l h VAL 60 Cb 1.15 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1q8l h VAL 60 CO 0.69 0.00 0.20 -0.08 0.02 0.00 0.00 177.57 178.40 1q8l h GLU 61 N 0.00 0.82 -0.48 1.57 4.81 -1.97 0.26 114.58 119.58 1q8l h GLU 61 Ca 0.00 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 1q8l h GLU 61 Cb 0.22 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1q8l h GLU 61 CO 0.00 0.69 -0.18 1.49 -0.73 0.00 0.00 179.01 180.28 1q8l h GLU 62 N 0.80 0.96 0.00 1.92 4.81 -1.66 -0.09 114.58 121.32 1q8l h GLU 62 Ca 0.19 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1q8l h GLU 62 Cb 0.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1q8l h GLU 62 CO -0.01 1.06 0.00 0.52 -0.73 0.00 0.00 179.01 179.85 1q8l h MET 63 N 0.81 0.00 0.00 1.92 2.86 -1.11 -1.94 114.93 117.47 1q8l h MET 63 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1q8l h MET 63 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1q8l h MET 63 CO 0.06 0.00 -1.33 1.63 1.06 0.00 0.00 176.91 178.33 1q8l n LYS 64 N -2.51 0.35 -0.08 1.72 4.76 0.78 -4.27 118.16 118.90 1q8l n LYS 64 Ca 0.01 -0.06 -0.06 0.00 -2.87 0.00 0.00 58.31 55.33 1q8l n LYS 64 Cb 0.24 -1.56 0.12 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.74 -0.58 1.97 1.63 -0.21 -2.78 116.57 117.34 1q8l h LYS 65 Ca 0.00 -0.27 -0.03 0.00 -0.85 0.00 0.00 60.65 59.50 1q8l h LYS 65 Cb 0.77 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 1q8l h LYS 65 CO 0.00 0.87 0.24 -0.56 -3.45 0.00 0.00 179.45 176.54 1q8l h GLN 66 N 0.66 0.83 -0.34 1.90 3.07 -1.74 1.00 115.11 120.49 1q8l h GLN 66 Ca 0.10 -0.12 -0.05 0.00 0.09 0.00 0.00 58.65 58.67 1q8l h GLN 66 Cb 0.66 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 28.05 1q8l h GLN 66 CO 0.05 0.68 -0.00 0.82 0.09 0.00 0.00 178.83 180.46 1q8l h ILE 67 N 0.82 1.20 0.00 1.86 2.04 -1.72 -1.24 117.51 120.47 1q8l h ILE 67 Ca 0.20 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1q8l h ILE 67 Cb 0.15 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1q8l h ILE 67 CO -0.02 0.27 -0.14 -0.33 0.00 0.00 0.00 178.15 177.93 1q8l h GLU 68 N 0.51 0.00 0.11 2.37 5.08 -0.96 -0.40 114.58 121.30 1q8l h GLU 68 Ca 0.11 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.19 1q8l h GLU 68 Cb 0.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.60 1q8l h GLU 68 CO 0.01 0.14 -1.21 0.00 -1.00 0.00 0.00 179.01 176.95 1q8l h ALA 69 N 1.86 0.09 0.00 3.43 0.00 0.23 -3.19 119.26 121.69 1q8l h ALA 69 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1q8l h ALA 69 Cb 1.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1q8l h ALA 69 CO 0.02 0.81 0.00 0.00 0.00 0.00 0.00 179.25 180.08 1q8l n MET 70 N -3.69 0.10 0.00 0.00 0.00 -0.59 -4.86 117.12 108.08 1q8l n MET 70 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1q8l n MET 70 Cb 0.98 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 32.55 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 0.69 1.67 2.41 3.17 0.00 -1.20 -5.08 105.19 106.85 1q8l n GLY 71 Ca 0.05 0.00 -0.26 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 2.69 -1.62 1.61 3.01 -0.16 -4.82 117.46 118.17 1q8l n PHE 72 Ca 0.00 -4.03 -0.48 0.00 1.01 0.00 0.00 57.45 53.96 1q8l n PHE 72 Cb 0.00 -0.50 -0.04 0.00 -0.01 0.00 0.00 39.48 38.93 1q8l n PHE 72 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1q8l n PRO 73 N 1.08 1.53 -4.11 -1.08 -0.04 -1.26 -3.50 135.00 127.62 1q8l n PRO 73 Ca 0.27 0.55 -0.34 0.00 -0.04 0.00 0.00 63.50 63.94 1q8l n PRO 73 Cb 0.43 -2.13 -0.15 0.00 -0.04 0.00 0.00 33.50 31.61 1q8l n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q8l s ALA 74 N 0.02 2.63 -1.29 0.55 0.00 -1.26 -0.66 121.76 121.75 1q8l s ALA 74 Ca 0.73 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 1q8l s ALA 74 Cb -0.78 -1.47 0.05 0.00 0.00 0.00 0.00 23.12 20.92 1q8l s ALA 74 CO 0.50 -0.31 1.77 1.19 0.00 0.00 0.00 175.76 178.91 1q8l n PHE 75 N 4.56 4.38 -3.72 0.00 3.72 -0.03 -4.78 117.46 121.58 1q8l n PHE 75 Ca -0.19 -2.65 -0.37 0.00 -0.05 0.00 0.00 57.45 54.19 1q8l n PHE 75 Cb 0.51 -2.64 -0.06 0.00 -0.94 0.00 0.00 39.48 36.35 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 5.18 5.35 -0.36 -4.37 1.01 -1.26 -3.35 120.40 122.59 1q8l s VAL 76 Ca 0.56 0.41 0.06 0.00 0.00 0.00 0.00 61.98 63.01 1q8l s VAL 76 Cb 0.03 -3.52 0.26 0.00 0.00 0.00 0.00 36.38 33.16 1q8l s VAL 76 CO 0.09 0.56 1.24 1.17 0.00 0.00 0.00 175.10 178.16 1q8l n LYS 77 N 2.30 0.81 0.00 2.72 4.81 -1.26 -5.04 118.16 122.50 1q8l n LYS 77 Ca -0.17 -1.38 0.00 0.00 -0.87 0.00 0.00 58.31 55.89 1q8l n LYS 77 Cb 0.54 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1q8l n LYS 77 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1q8l n LYS 78 N -0.58 0.00 -3.61 1.64 5.02 -1.26 -3.46 118.16 115.91 1q8l n LYS 78 Ca -0.12 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.89 1q8l n LYS 78 Cb 0.77 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.67 1q8l n LYS 78 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1q8l s GLN 79 N 0.00 1.57 -0.61 1.97 -1.52 -1.26 -0.77 119.66 119.05 1q8l s GLN 79 Ca 0.00 -2.64 -0.28 0.00 -1.95 0.00 0.00 55.36 50.48 1q8l s GLN 79 Cb 0.00 -2.28 -0.29 0.00 -0.22 0.00 0.00 33.01 30.22 1q8l s GLN 79 CO 0.00 -1.35 1.88 -2.30 -0.25 0.00 0.00 175.29 173.27 1q8l n PRO 80 N 2.46 0.16 0.00 2.91 -0.02 -1.22 -3.44 135.00 135.85 1q8l n PRO 80 Ca 0.26 -1.43 0.00 0.00 -2.02 0.00 0.00 63.50 60.30 1q8l n PRO 80 Cb 0.42 -3.28 0.00 0.00 -0.02 0.00 0.00 33.50 30.62 1q8l n PRO 80 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1q8l n LYS 81 N 8.05 0.00 -0.77 -0.52 5.02 -1.26 -5.11 118.16 123.57 1q8l n LYS 81 Ca 0.44 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.45 1q8l n LYS 81 Cb 0.45 -0.26 0.23 0.00 -0.02 0.00 0.00 35.03 35.42 1q8l n LYS 81 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1q8l s TYR 82 N -1.00 1.62 0.18 2.13 2.02 -1.22 -5.08 117.35 115.99 1q8l s TYR 82 Ca 0.00 1.10 -0.05 0.00 -0.37 0.00 0.00 57.07 57.76 1q8l s TYR 82 Cb 0.00 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.42 1q8l s TYR 82 CO 0.00 -3.54 0.32 1.47 -1.57 0.00 0.00 175.55 172.23 1q8l n LEU 83 N -4.67 0.00 0.00 -1.29 -0.00 -1.26 -5.20 117.00 104.58 1q8l n LEU 83 Ca 0.04 -1.26 0.08 0.00 -0.00 0.00 0.00 56.01 54.87 1q8l n LEU 83 Cb 0.55 1.58 0.48 0.00 -0.00 0.00 0.00 43.42 46.04 1q8l n LEU 83 CO 0.57 -0.37 0.69 1.17 -0.00 0.00 0.00 177.39 179.45