#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 0.06 1.61 7.64 -1.26 -5.09 113.62 116.58 1q8l n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1q8l n SER 2 Cb 0.00 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1q8l n SER 2 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1q8l n MET 3 N -2.48 0.00 -0.11 1.43 0.00 -1.26 -4.99 117.12 109.71 1q8l n MET 3 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.70 57.48 1q8l n MET 3 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.11 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 -2.62 0.81 -2.98 -5.12 0.00 -1.26 -5.02 120.51 104.32 1q8l n ALA 4 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 53.44 52.85 1q8l n ALA 4 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 18.93 1q8l n ALA 4 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1q8l n GLN 5 N -4.42 -2.24 -1.62 0.00 0.00 -1.26 -2.83 117.38 105.01 1q8l n GLN 5 Ca -0.33 1.96 -0.17 0.00 -0.00 0.00 0.00 57.00 58.45 1q8l n GLN 5 Cb 0.70 -3.89 -0.07 0.00 0.00 0.00 0.00 30.24 26.98 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 0.51 -0.32 0.31 1.69 0.00 -1.26 -4.81 120.51 116.64 1q8l n ALA 6 Ca 0.01 0.26 0.15 0.00 0.00 0.00 0.00 53.44 53.87 1q8l n ALA 6 Cb 0.32 -1.77 0.69 0.00 0.00 0.00 0.00 19.45 18.69 1q8l n ALA 6 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1q8l h GLY 7 N 0.00 0.00 -1.01 0.00 0.00 -1.92 -3.44 103.07 96.69 1q8l h GLY 7 Ca -0.36 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.57 1q8l h GLY 7 CO 0.51 0.00 -0.09 -1.83 0.00 0.00 0.00 176.54 175.13 1q8l s GLU 8 N -3.60 -2.36 -0.03 4.80 4.04 -1.26 -4.41 118.70 115.87 1q8l s GLU 8 Ca 0.01 0.40 -0.02 0.00 0.04 0.00 0.00 54.97 55.40 1q8l s GLU 8 Cb 0.09 -1.42 0.02 0.00 0.02 0.00 0.00 34.13 32.84 1q8l s GLU 8 CO 0.40 -4.57 0.07 0.14 -1.84 0.00 0.00 175.26 169.47 1q8l s VAL 9 N -2.30 -0.03 -0.89 1.83 -7.23 -0.09 -4.88 120.40 106.81 1q8l s VAL 9 Ca 0.69 0.12 -0.01 0.00 -1.81 0.00 0.00 61.98 60.96 1q8l s VAL 9 Cb -0.18 -0.13 0.23 0.00 0.56 0.00 0.00 36.38 36.86 1q8l s VAL 9 CO 0.61 0.05 0.84 1.33 -0.31 0.00 0.00 175.10 177.62 1q8l n VAL 10 N 3.72 3.15 -2.76 1.32 0.24 -1.26 -2.09 118.33 120.64 1q8l n VAL 10 Ca -0.21 -5.20 -0.40 0.00 -2.04 0.00 0.00 64.34 56.49 1q8l n VAL 10 Cb 0.54 -2.32 -0.06 0.00 -1.47 0.00 0.00 33.84 30.54 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 -1.64 4.62 -0.24 1.34 1.02 -1.25 -4.95 118.68 117.58 1q8l s LEU 11 Ca 0.29 1.89 -0.03 0.00 0.02 0.00 0.00 54.13 56.30 1q8l s LEU 11 Cb -0.03 -3.58 0.01 0.00 0.02 0.00 0.00 46.19 42.60 1q8l s LEU 11 CO -0.10 0.12 -0.04 -0.54 0.02 0.00 0.00 176.35 175.82 1q8l s LYS 12 N -0.94 3.15 -0.05 1.70 1.02 -1.26 -3.61 119.74 119.75 1q8l s LYS 12 Ca 0.42 -0.77 0.06 0.00 0.02 0.00 0.00 55.97 55.69 1q8l s LYS 12 Cb -0.25 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1q8l s LYS 12 CO 0.31 -0.30 -0.23 -1.64 -0.92 0.00 0.00 175.35 172.57 1q8l s MET 13 N 1.43 2.45 -0.48 1.68 -1.94 0.25 -1.09 119.30 121.60 1q8l s MET 13 Ca 0.04 -0.88 0.04 0.00 -1.71 0.00 0.00 55.69 53.17 1q8l s MET 13 Cb -0.15 -2.17 0.12 0.00 2.01 0.00 0.00 34.83 34.64 1q8l s MET 13 CO -0.03 0.46 0.22 0.21 -0.01 0.00 0.00 175.02 175.86 1q8l s LYS 14 N -0.34 1.89 1.04 2.03 2.20 -1.09 -0.78 119.74 124.70 1q8l s LYS 14 Ca 0.02 -2.45 -0.12 0.00 -0.36 0.00 0.00 55.97 53.06 1q8l s LYS 14 Cb -0.12 -3.32 0.22 0.00 -1.51 0.00 0.00 37.83 33.10 1q8l s LYS 14 CO 0.02 -1.07 1.07 0.08 -0.36 0.00 0.00 175.35 175.09 1q8l s VAL 15 N 0.00 2.16 -0.26 4.02 1.01 -1.04 -1.42 120.40 124.87 1q8l s VAL 15 Ca 0.16 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1q8l s VAL 15 Cb -0.24 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1q8l s VAL 15 CO -0.02 -0.07 0.24 -0.70 0.00 0.00 0.00 175.10 174.55 1q8l s GLU 16 N -4.72 4.01 0.00 2.72 2.12 0.66 -4.56 118.70 118.93 1q8l s GLU 16 Ca 0.66 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.80 1q8l s GLU 16 Cb -0.21 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.56 1q8l s GLU 16 CO 0.60 -0.13 0.34 0.41 -0.54 0.00 0.00 175.26 175.95 1q8l n GLY 17 N 4.70 0.88 5.60 -1.50 0.00 -1.26 -4.73 105.19 108.87 1q8l n GLY 17 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.14 0.00 0.00 1.61 1.56 -1.26 -4.03 117.12 115.13 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 0.15 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.52 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 -1.20 1.12 5.66 -1.26 -4.96 114.28 113.64 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 0.08 -0.43 0.00 0.00 -1.26 -5.10 115.29 108.59 1q8l s HIS 21 Ca 0.00 -0.52 -0.08 0.00 -3.00 0.00 0.00 55.06 51.47 1q8l s HIS 21 Cb 0.00 -0.72 0.10 0.00 -4.00 0.00 0.00 32.58 27.96 1q8l s HIS 21 CO 0.00 -0.76 0.26 -1.54 -1.00 0.00 0.00 174.74 171.70 1q8l s SER 22 N 2.18 5.55 -0.08 7.38 1.04 -1.26 -4.68 113.70 123.82 1q8l s SER 22 Ca 0.07 -1.72 0.01 0.00 0.48 0.00 0.00 55.95 54.79 1q8l s SER 22 Cb -0.16 -1.95 0.12 0.00 0.10 0.00 0.00 66.02 64.14 1q8l s SER 22 CO -0.28 -0.58 1.20 0.00 0.98 0.00 0.00 173.24 174.56 1q8l n THR 24 N 0.22 0.08 -0.32 0.00 -2.24 -1.26 -3.28 114.28 107.47 1q8l n THR 24 Ca 0.11 0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1q8l n THR 24 Cb 0.71 -0.71 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.11 -0.15 3.42 0.87 -2.03 -2.05 113.55 114.72 1q8l h SER 25 Ca 0.00 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 1q8l h SER 25 Cb 0.03 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1q8l h SER 25 CO 0.00 0.90 -0.10 0.71 -0.53 0.00 0.00 176.83 177.81 1q8l h THR 26 N 1.23 1.22 -0.67 2.23 1.35 -1.94 -2.82 112.91 113.50 1q8l h THR 26 Ca 0.31 -0.96 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 1q8l h THR 26 Cb 0.05 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 1q8l h THR 26 CO -0.05 0.32 0.29 0.40 -0.25 0.00 0.00 175.52 176.23 1q8l h ILE 27 N 0.46 1.23 -0.10 6.82 2.04 -1.58 -2.98 117.51 123.39 1q8l h ILE 27 Ca 0.09 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1q8l h ILE 27 Cb 0.45 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1q8l h ILE 27 CO 0.02 0.28 -0.46 -0.08 0.00 0.00 0.00 178.15 177.91 1q8l h GLU 28 N 0.96 -0.49 0.00 2.37 4.22 -1.31 -0.18 114.58 120.15 1q8l h GLU 28 Ca 0.23 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.68 1q8l h GLU 28 Cb 0.15 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1q8l h GLU 28 CO -0.02 -0.32 -0.09 0.78 -2.18 0.00 0.00 179.01 177.17 1q8l h GLY 29 N -0.51 0.00 1.07 1.92 0.00 -1.67 -1.76 103.07 102.12 1q8l h GLY 29 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 1q8l h GLY 29 CO -0.37 0.00 -0.41 1.70 0.00 0.00 0.00 176.54 177.47 1q8l h LYS 30 N 0.00 0.82 -0.17 4.80 1.63 -1.18 -2.52 116.57 119.96 1q8l h LYS 30 Ca -0.00 -0.47 -0.12 0.00 -0.85 0.00 0.00 60.65 59.21 1q8l h LYS 30 Cb 0.17 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1q8l h LYS 30 CO 0.01 1.10 -0.41 0.82 -3.45 0.00 0.00 179.45 177.53 1q8l h ILE 31 N 0.60 1.31 0.00 2.00 2.04 -0.58 -2.45 117.51 120.43 1q8l h ILE 31 Ca 0.04 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1q8l h ILE 31 Cb 1.00 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1q8l h ILE 31 CO 0.10 0.47 0.00 1.23 0.00 0.00 0.00 178.15 179.95 1q8l h GLY 32 N 1.16 0.00 0.54 5.37 0.00 -1.22 -2.62 103.07 106.30 1q8l h GLY 32 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1q8l h GLY 32 CO 0.07 0.00 -0.32 1.17 0.00 0.00 0.00 176.54 177.46 1q8l n LYS 33 N -2.71 0.55 -2.10 4.80 3.00 -0.93 -4.89 118.16 115.88 1q8l n LYS 33 Ca 0.02 -0.32 -0.43 0.00 -0.00 0.00 0.00 58.31 57.59 1q8l n LYS 33 Cb 0.31 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.82 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 -2.66 4.14 0.28 3.14 1.43 -0.99 -4.99 118.68 119.02 1q8l s LEU 34 Ca 0.20 1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 54.95 1q8l s LEU 34 Cb 0.19 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 1q8l s LEU 34 CO 0.57 -1.03 0.96 -1.10 0.23 0.00 0.00 176.35 175.98 1q8l s GLN 35 N 4.21 4.73 0.00 1.70 -0.21 -1.26 -3.45 119.66 125.37 1q8l s GLN 35 Ca 0.70 1.46 0.00 0.00 0.02 0.00 0.00 55.36 57.54 1q8l s GLN 35 Cb -0.28 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.64 1q8l s GLN 35 CO 0.27 0.39 0.00 0.41 -2.12 0.00 0.00 175.29 174.24 1q8l n GLY 36 N 1.11 0.76 3.85 3.09 0.00 -1.26 -4.70 105.19 108.04 1q8l n GLY 36 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.71 5.07 0.00 1.61 1.01 -1.22 -2.60 120.40 121.56 1q8l s VAL 37 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1q8l s VAL 37 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1q8l s VAL 37 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.57 1q8l n GLN 38 N 1.48 0.00 -3.64 2.72 6.02 -0.56 -4.94 117.38 118.46 1q8l n GLN 38 Ca -0.12 0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.65 1q8l n GLN 38 Cb 0.52 -0.12 -0.02 0.00 1.02 0.00 0.00 30.24 31.65 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 -0.06 3.47 -0.23 -1.09 6.06 -0.55 -4.96 118.95 121.60 1q8l s ARG 39 Ca 0.00 -0.51 -0.03 0.00 -2.50 0.00 0.00 55.73 52.69 1q8l s ARG 39 Cb 0.00 -2.77 0.12 0.00 0.06 0.00 0.00 34.95 32.36 1q8l s ARG 39 CO 0.00 0.28 0.33 -1.50 -2.50 0.00 0.00 175.30 171.91 1q8l s ILE 40 N -2.15 -0.52 -0.28 4.11 2.07 -1.26 -1.42 121.20 121.75 1q8l s ILE 40 Ca 0.37 -0.06 -0.02 0.00 -1.41 0.00 0.00 60.65 59.53 1q8l s ILE 40 Cb -0.09 -0.76 0.12 0.00 0.13 0.00 0.00 42.46 41.86 1q8l s ILE 40 CO 0.33 -0.13 0.25 -1.59 -1.91 0.00 0.00 174.94 171.88 1q8l s LYS 41 N 2.48 0.28 0.16 3.50 -2.85 -1.21 -4.99 119.74 117.11 1q8l s LYS 41 Ca 0.10 -0.18 -0.07 0.00 -1.00 0.00 0.00 55.97 54.82 1q8l s LYS 41 Cb -0.15 -0.84 -0.06 0.00 -2.06 0.00 0.00 37.83 34.71 1q8l s LYS 41 CO -0.14 -0.98 0.44 0.08 0.10 0.00 0.00 175.35 174.85 1q8l s VAL 42 N 2.30 5.07 0.01 1.79 1.01 -1.26 -1.62 120.40 127.70 1q8l s VAL 42 Ca 0.09 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1q8l s VAL 42 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1q8l s VAL 42 CO -0.31 0.04 -0.08 -0.55 0.00 0.00 0.00 175.10 174.19 1q8l s SER 43 N -2.31 4.51 0.59 3.32 0.15 0.28 -4.94 113.70 115.29 1q8l s SER 43 Ca 0.42 -0.19 0.28 0.00 0.70 0.00 0.00 55.95 57.17 1q8l s SER 43 Cb -0.12 -1.01 1.67 0.00 -1.71 0.00 0.00 66.02 64.85 1q8l s SER 43 CO 0.23 0.28 2.13 0.25 1.20 0.00 0.00 173.24 177.32 1q8l h LEU 44 N 4.49 0.00 -8.20 3.45 6.46 -1.95 -0.96 115.31 118.59 1q8l h LEU 44 Ca -0.48 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 1q8l h LEU 44 Cb 1.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 1q8l h LEU 44 CO 0.53 0.00 0.12 -0.67 -0.62 0.00 0.00 178.44 177.80 1q8l n ASP 45 N -3.85 1.34 -4.02 1.25 2.03 -1.26 -3.30 116.55 108.74 1q8l n ASP 45 Ca 0.01 -1.87 -0.31 0.00 0.52 0.00 0.00 54.79 53.13 1q8l n ASP 45 Cb 0.27 -1.61 -0.02 0.00 -0.72 0.00 0.00 41.12 39.04 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1q8l n ASN 46 N 18.30 -1.45 -4.13 1.67 4.13 -1.26 -0.96 115.26 131.57 1q8l n ASN 46 Ca 0.44 -1.13 -0.28 0.00 1.68 0.00 0.00 54.58 55.29 1q8l n ASN 46 Cb 0.44 -2.51 -0.06 0.00 -1.54 0.00 0.00 39.78 36.11 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 -4.52 -2.19 -2.26 3.52 -0.06 -1.17 -2.50 117.38 108.19 1q8l n GLN 47 Ca -0.25 0.26 -0.33 0.00 -2.00 0.00 0.00 57.00 54.68 1q8l n GLN 47 Cb 0.65 -4.09 -0.04 0.00 -4.06 0.00 0.00 30.24 22.70 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 -6.95 3.00 0.04 3.69 2.12 -0.13 -3.51 118.70 116.96 1q8l s GLU 48 Ca 0.01 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 1q8l s GLU 48 Cb -0.00 -5.19 -0.05 0.00 0.26 0.00 0.00 34.13 29.15 1q8l s GLU 48 CO 0.94 -2.90 1.11 0.00 -0.54 0.00 0.00 175.26 173.87 1q8l s ALA 49 N 7.94 3.30 -0.51 6.30 0.00 0.04 -0.56 121.76 138.28 1q8l s ALA 49 Ca 0.60 0.73 0.06 0.00 0.00 0.00 0.00 51.96 53.35 1q8l s ALA 49 Cb -0.04 -3.40 0.21 0.00 0.00 0.00 0.00 23.12 19.90 1q8l s ALA 49 CO -0.04 -0.35 0.52 2.41 0.00 0.00 0.00 175.76 178.30 1q8l n THR 50 N 3.87 0.25 -2.90 0.00 -1.04 -0.64 -0.58 114.28 113.23 1q8l n THR 50 Ca 0.08 -4.27 -0.40 0.00 -2.04 0.00 0.00 64.05 57.41 1q8l n THR 50 Cb 0.48 -1.95 -0.04 0.00 -1.82 0.00 0.00 70.33 67.00 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 -1.18 4.84 -0.11 12.58 1.09 -1.24 -3.29 121.20 133.89 1q8l s ILE 51 Ca 0.34 1.73 -0.04 0.00 -1.10 0.00 0.00 60.65 61.58 1q8l s ILE 51 Cb 0.09 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.29 1q8l s ILE 51 CO -0.12 0.27 0.04 -0.69 -0.10 0.00 0.00 174.94 174.34 1q8l s VAL 52 N 0.48 4.61 0.39 2.92 1.01 -0.51 -3.75 120.40 125.54 1q8l s VAL 52 Ca 0.43 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 1q8l s VAL 52 Cb -0.20 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.25 1q8l s VAL 52 CO 0.24 0.59 0.71 -0.72 0.00 0.00 0.00 175.10 175.92 1q8l s TYR 53 N -0.74 0.42 -0.33 5.22 1.13 -0.89 -1.49 117.35 120.68 1q8l s TYR 53 Ca 0.12 -0.99 -0.16 0.00 -1.41 0.00 0.00 57.07 54.63 1q8l s TYR 53 Cb -0.12 0.59 -0.01 0.00 -1.10 0.00 0.00 41.96 41.32 1q8l s TYR 53 CO 0.02 -1.48 0.43 -0.65 -2.51 0.00 0.00 175.55 171.36 1q8l s GLN 54 N -2.37 3.68 0.03 -3.49 -0.21 -1.07 -0.91 119.66 115.33 1q8l s GLN 54 Ca 0.20 -0.21 -0.27 0.00 0.02 0.00 0.00 55.36 55.10 1q8l s GLN 54 Cb -0.04 -3.78 -0.17 0.00 1.00 0.00 0.00 33.01 30.03 1q8l s GLN 54 CO 0.15 -0.52 1.40 -1.00 -2.12 0.00 0.00 175.29 173.19 1q8l h PRO 55 N 8.40 -0.48 -0.09 2.91 0.13 -1.77 -0.81 132.00 140.29 1q8l h PRO 55 Ca -0.29 0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.90 1q8l h PRO 55 Cb 1.14 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1q8l h PRO 55 CO 0.72 -0.21 0.21 1.12 -0.23 0.00 0.00 178.00 179.62 1q8l h HIS 56 N -0.71 0.00 0.13 1.56 2.07 -1.94 -1.90 115.15 114.37 1q8l h HIS 56 Ca -0.05 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.12 1q8l h HIS 56 Cb 0.49 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.46 1q8l h HIS 56 CO -0.00 0.00 -1.86 1.25 -3.07 0.00 0.00 177.93 174.24 1q8l h LEU 57 N 0.00 0.42 -7.19 6.12 5.85 -1.80 -3.49 115.31 115.22 1q8l h LEU 57 Ca 0.04 -0.92 0.07 0.00 0.84 0.00 0.00 57.88 57.92 1q8l h LEU 57 Cb 0.47 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.24 1q8l h LEU 57 CO -0.00 1.81 0.37 -0.51 -0.34 0.00 0.00 178.44 179.77 1q8l s ILE 58 N -2.54 0.00 -0.26 4.05 2.07 -0.35 -4.89 121.20 119.27 1q8l s ILE 58 Ca -0.21 -0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 58.82 1q8l s ILE 58 Cb 0.06 -1.24 0.08 0.00 0.13 0.00 0.00 42.46 41.49 1q8l s ILE 58 CO 0.77 0.00 0.05 -0.44 -1.91 0.00 0.00 174.94 173.41 1q8l s SER 59 N -2.68 3.72 0.45 4.50 0.01 -1.26 -3.94 113.70 114.49 1q8l s SER 59 Ca 0.05 -1.34 0.31 0.00 1.31 0.00 0.00 55.95 56.27 1q8l s SER 59 Cb -0.02 -0.88 1.33 0.00 0.21 0.00 0.00 66.02 66.66 1q8l s SER 59 CO -0.07 -0.35 1.91 0.58 0.41 0.00 0.00 173.24 175.72 1q8l h VAL 60 N 6.54 0.00 -0.03 3.43 2.07 -1.95 -2.82 116.25 123.49 1q8l h VAL 60 Ca -0.15 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1q8l h VAL 60 Cb 1.06 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1q8l h VAL 60 CO 0.42 0.00 0.02 -0.08 0.02 0.00 0.00 177.57 177.96 1q8l h GLU 61 N 0.00 0.00 -0.40 1.57 4.81 -1.99 -0.49 114.58 118.07 1q8l h GLU 61 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1q8l h GLU 61 Cb 0.38 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1q8l h GLU 61 CO 0.00 0.00 -0.24 1.49 -0.73 0.00 0.00 179.01 179.53 1q8l h GLU 62 N 0.00 0.87 -0.16 1.92 4.57 -1.94 -2.51 114.58 117.33 1q8l h GLU 62 Ca 0.01 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 1q8l h GLU 62 Cb 0.06 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1q8l h GLU 62 CO -0.00 1.04 -0.03 0.52 -1.18 0.00 0.00 179.01 179.37 1q8l h MET 63 N 0.69 0.24 -0.25 1.92 2.86 -1.28 -1.61 114.93 117.50 1q8l h MET 63 Ca 0.08 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1q8l h MET 63 Cb 0.81 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1q8l h MET 63 CO 0.07 0.29 -0.19 0.87 1.06 0.00 0.00 176.91 179.01 1q8l h LYS 64 N 0.24 0.44 -0.38 1.72 1.79 -0.93 -2.36 116.57 117.08 1q8l h LYS 64 Ca 0.06 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1q8l h LYS 64 Cb 0.21 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1q8l h LYS 64 CO 0.01 0.62 0.19 -0.22 -1.08 0.00 0.00 179.45 178.96 1q8l h LYS 65 N 0.40 0.53 -0.45 3.15 3.11 -1.09 -0.99 116.57 121.24 1q8l h LYS 65 Ca 0.07 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 57.73 1q8l h LYS 65 Cb 0.56 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1q8l h LYS 65 CO 0.04 0.41 -0.20 1.96 -2.81 0.00 0.00 179.45 178.85 1q8l h GLN 66 N 0.53 0.89 -0.21 1.90 1.08 -1.39 0.36 115.11 118.27 1q8l h GLN 66 Ca 0.14 -0.36 -0.07 0.00 -1.45 0.00 0.00 58.65 56.90 1q8l h GLN 66 Cb 0.06 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1q8l h GLN 66 CO -0.02 1.01 -0.17 0.82 -0.95 0.00 0.00 178.83 179.52 1q8l h ILE 67 N 0.78 1.23 0.00 2.54 2.04 -1.08 -0.85 117.51 122.16 1q8l h ILE 67 Ca 0.11 -1.02 -0.11 0.00 1.00 0.00 0.00 64.86 64.84 1q8l h ILE 67 Cb 0.75 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1q8l h ILE 67 CO 0.06 0.32 -0.66 -0.33 0.00 0.00 0.00 178.15 177.55 1q8l h GLU 68 N 0.34 0.00 0.01 2.37 5.08 -0.74 0.19 114.58 121.83 1q8l h GLU 68 Ca 0.06 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.19 1q8l h GLU 68 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1q8l h GLU 68 CO 0.03 0.41 -0.98 0.00 -1.00 0.00 0.00 179.01 177.48 1q8l h ALA 69 N 1.53 0.31 0.00 3.43 0.00 0.45 -3.11 119.26 121.87 1q8l h ALA 69 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1q8l h ALA 69 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1q8l h ALA 69 CO 0.06 0.80 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1q8l n MET 70 N -3.75 0.18 0.00 0.00 0.00 -0.39 -4.87 117.12 108.28 1q8l n MET 70 Ca -0.08 0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1q8l n MET 70 Cb 0.85 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 32.31 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 0.67 0.83 2.97 3.17 0.00 -1.17 -5.10 105.19 106.55 1q8l n GLY 71 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.44 3.30 0.19 1.61 0.40 0.05 -4.92 117.98 117.16 1q8l s PHE 72 Ca 0.00 -3.12 -0.32 0.00 -0.60 0.00 0.00 56.93 52.89 1q8l s PHE 72 Cb 0.00 -2.89 -0.15 0.00 0.51 0.00 0.00 43.02 40.49 1q8l s PHE 72 CO 0.00 -0.73 1.16 -2.30 0.70 0.00 0.00 175.22 174.05 1q8l n PRO 73 N 2.98 1.25 -4.08 0.24 -0.02 -1.26 -3.09 135.00 131.02 1q8l n PRO 73 Ca 0.08 0.44 -0.27 0.00 -2.02 0.00 0.00 63.50 61.73 1q8l n PRO 73 Cb 0.34 -1.94 -0.17 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.28 1.44 -1.29 3.55 0.00 -1.26 -0.25 121.76 123.66 1q8l s ALA 74 Ca 0.71 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 1q8l s ALA 74 Cb -0.82 -0.87 0.10 0.00 0.00 0.00 0.00 23.12 21.53 1q8l s ALA 74 CO 0.53 -0.30 1.72 1.19 0.00 0.00 0.00 175.76 178.91 1q8l n PHE 75 N 4.67 4.48 -2.07 0.00 3.72 -0.50 -4.84 117.46 122.92 1q8l n PHE 75 Ca -0.15 -3.01 -0.43 0.00 -0.05 0.00 0.00 57.45 53.81 1q8l n PHE 75 Cb 0.50 -2.44 -0.03 0.00 -0.94 0.00 0.00 39.48 36.58 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 3.00 3.61 0.00 -4.37 1.01 -1.26 -2.66 120.40 119.72 1q8l s VAL 76 Ca 0.49 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1q8l s VAL 76 Cb 0.04 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1q8l s VAL 76 CO 0.03 -0.32 0.00 0.29 0.00 0.00 0.00 175.10 175.10 1q8l n LYS 77 N 7.88 3.64 0.00 2.72 5.02 -0.25 -4.86 118.16 132.31 1q8l n LYS 77 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1q8l n LYS 77 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1q8l n LYS 77 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1q8l n LYS 78 N 0.00 0.00 -3.34 1.97 3.00 -1.26 -4.84 118.16 113.68 1q8l n LYS 78 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1q8l n LYS 78 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 1q8l n LYS 78 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1q8l n GLN 79 N 9.83 -1.88 0.00 1.64 7.27 -1.26 -4.96 117.38 128.02 1q8l n GLN 79 Ca 0.00 1.47 0.00 0.00 0.07 0.00 0.00 57.00 58.54 1q8l n GLN 79 Cb 0.00 -3.53 0.00 0.00 2.41 0.00 0.00 30.24 29.12 1q8l n GLN 79 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1q8l n PRO 80 N -0.96 0.00 0.00 3.69 -0.04 -1.26 -5.07 135.00 131.36 1q8l n PRO 80 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1q8l n PRO 80 Cb 0.61 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 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 -0.14 0.00 -1.17 0.54 2.85 -1.26 -5.17 118.16 113.80 1q8l n LYS 81 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1q8l n LYS 81 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1q8l n LYS 81 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1q8l n TYR 82 N 0.00 -3.24 0.11 5.58 9.36 -1.26 -5.07 117.16 122.64 1q8l n TYR 82 Ca 0.00 1.73 0.00 0.00 3.32 0.00 0.00 57.90 62.95 1q8l n TYR 82 Cb 0.00 -2.86 0.00 0.00 -0.63 0.00 0.00 39.34 35.85 1q8l n TYR 82 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1q8l n LEU 83 N -1.02 -2.02 0.00 2.98 -0.00 -1.26 -5.26 117.00 110.41 1q8l n LEU 83 Ca 0.00 0.56 0.09 0.00 -0.00 0.00 0.00 56.01 56.66 1q8l n LEU 83 Cb 0.03 2.09 0.54 0.00 -0.00 0.00 0.00 43.42 46.08 1q8l n LEU 83 CO 0.00 0.07 0.74 1.17 -0.00 0.00 0.00 177.39 179.37