#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 -0.69 0.14 1.61 1.04 -1.26 -5.05 113.70 109.49 1q8l s SER 2 Ca 0.00 1.06 -0.16 0.00 0.48 0.00 0.00 55.95 57.33 1q8l s SER 2 Cb 0.00 0.98 0.01 0.00 0.10 0.00 0.00 66.02 67.11 1q8l s SER 2 CO 0.00 -0.42 1.74 0.24 0.98 0.00 0.00 173.24 175.78 1q8l h MET 3 N 3.95 0.59 -7.28 4.02 2.86 -2.13 -3.43 114.93 113.52 1q8l h MET 3 Ca -0.28 -0.07 -0.51 0.00 -2.06 0.00 0.00 59.70 56.78 1q8l h MET 3 Cb 1.15 -0.11 0.05 0.00 0.06 0.00 0.00 31.60 32.75 1q8l h MET 3 CO 0.22 0.48 0.36 0.00 1.06 0.00 0.00 176.91 179.04 1q8l s ALA 4 N -5.82 3.16 -0.43 6.32 0.00 -1.26 -5.03 121.76 118.69 1q8l s ALA 4 Ca -0.13 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1q8l s ALA 4 Cb 0.11 -2.99 0.31 0.00 0.00 0.00 0.00 23.12 20.55 1q8l s ALA 4 CO 0.74 -0.61 0.93 0.94 0.00 0.00 0.00 175.76 177.76 1q8l n GLN 5 N -2.62 0.95 -1.60 0.00 7.27 -1.26 -4.99 117.38 115.13 1q8l n GLN 5 Ca 0.05 -2.42 -0.31 0.00 0.07 0.00 0.00 57.00 54.38 1q8l n GLN 5 Cb 0.54 -1.30 -0.01 0.00 2.41 0.00 0.00 30.24 31.88 1q8l n GLN 5 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1q8l n ALA 6 N 0.59 6.40 -1.13 1.69 0.00 -1.26 -4.97 120.51 121.83 1q8l n ALA 6 Ca 0.13 -3.37 -0.13 0.00 0.00 0.00 0.00 53.44 50.08 1q8l n ALA 6 Cb 0.67 -2.03 0.15 0.00 0.00 0.00 0.00 19.45 18.24 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 0.25 -2.44 2.78 0.00 0.00 -1.26 -5.06 105.19 99.47 1q8l n GLY 7 Ca 0.50 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.63 0.19 -0.06 1.61 -1.05 -1.26 -4.33 118.70 109.17 1q8l s GLU 8 Ca 0.46 0.15 -0.30 0.00 -0.15 0.00 0.00 54.97 55.13 1q8l s GLU 8 Cb -0.04 -0.47 -0.05 0.00 -0.44 0.00 0.00 34.13 33.14 1q8l s GLU 8 CO 0.34 -0.18 1.47 0.14 0.95 0.00 0.00 175.26 177.99 1q8l s VAL 9 N 1.26 3.79 -1.29 1.83 -7.23 0.19 -4.69 120.40 114.26 1q8l s VAL 9 Ca -0.07 1.04 -0.07 0.00 -1.81 0.00 0.00 61.98 61.07 1q8l s VAL 9 Cb -0.13 -3.67 0.15 0.00 0.56 0.00 0.00 36.38 33.29 1q8l s VAL 9 CO -0.02 -0.06 2.09 1.33 -0.31 0.00 0.00 175.10 178.13 1q8l n VAL 10 N 5.17 4.79 -1.85 1.32 0.24 -1.26 -1.46 118.33 125.28 1q8l n VAL 10 Ca 0.15 -4.42 -0.42 0.00 -2.04 0.00 0.00 64.34 57.61 1q8l n VAL 10 Cb 0.43 -2.22 -0.03 0.00 -1.47 0.00 0.00 33.84 30.56 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 -1.14 4.10 -0.14 1.34 2.01 -0.35 -4.89 118.68 119.61 1q8l s LEU 11 Ca 0.46 2.17 -0.15 0.00 0.01 0.00 0.00 54.13 56.61 1q8l s LEU 11 Cb 0.13 -3.53 -0.05 0.00 0.01 0.00 0.00 46.19 42.76 1q8l s LEU 11 CO -0.04 -1.24 0.35 -0.75 1.01 0.00 0.00 176.35 175.69 1q8l s LYS 12 N 4.75 4.25 -0.04 1.70 2.36 -1.26 -1.54 119.74 129.96 1q8l s LYS 12 Ca 0.83 0.22 0.05 0.00 -2.55 0.00 0.00 55.97 54.51 1q8l s LYS 12 Cb -0.34 -3.42 -0.00 0.00 -1.05 0.00 0.00 37.83 33.02 1q8l s LYS 12 CO 0.34 0.24 -0.18 -1.64 1.55 0.00 0.00 175.35 175.67 1q8l s MET 13 N 0.42 1.81 -0.46 4.03 -1.94 0.51 -4.49 119.30 119.18 1q8l s MET 13 Ca 0.20 -0.63 0.04 0.00 -1.71 0.00 0.00 55.69 53.58 1q8l s MET 13 Cb -0.14 -1.59 0.12 0.00 2.01 0.00 0.00 34.83 35.24 1q8l s MET 13 CO 0.06 0.27 0.21 0.21 -0.01 0.00 0.00 175.02 175.75 1q8l s LYS 14 N -0.02 1.75 0.99 2.03 2.20 -1.24 -0.79 119.74 124.67 1q8l s LYS 14 Ca -0.03 -2.34 -0.12 0.00 -0.36 0.00 0.00 55.97 53.12 1q8l s LYS 14 Cb -0.11 -3.14 0.19 0.00 -1.51 0.00 0.00 37.83 33.25 1q8l s LYS 14 CO 0.02 -1.07 1.08 0.08 -0.36 0.00 0.00 175.35 175.10 1q8l s VAL 15 N 0.10 2.27 -0.29 4.02 1.01 -1.14 -0.92 120.40 125.45 1q8l s VAL 15 Ca 0.15 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1q8l s VAL 15 Cb -0.24 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1q8l s VAL 15 CO -0.03 -0.12 0.07 -0.70 0.00 0.00 0.00 175.10 174.33 1q8l s GLU 16 N -4.82 3.16 0.00 2.72 2.12 0.14 -4.57 118.70 117.46 1q8l s GLU 16 Ca 0.65 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 55.19 1q8l s GLU 16 Cb -0.20 -3.35 0.06 0.00 0.26 0.00 0.00 34.13 30.90 1q8l s GLU 16 CO 0.59 -0.41 0.30 0.41 -0.54 0.00 0.00 175.26 175.61 1q8l n GLY 17 N 4.87 -0.20 7.00 -1.50 0.00 -1.26 -4.47 105.19 109.63 1q8l n GLY 17 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.58 0.00 0.00 1.61 1.56 -1.26 -4.77 117.12 113.68 1q8l n MET 18 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1q8l n MET 18 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 0.00 1.12 5.66 -1.26 -5.10 114.28 114.70 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 0.37 1.28 0.09 0.00 3.76 -1.26 -5.11 115.29 114.42 1q8l s HIS 21 Ca 0.00 0.23 -0.14 0.00 -0.15 0.00 0.00 55.06 55.00 1q8l s HIS 21 Cb 0.00 -4.23 0.02 0.00 1.11 0.00 0.00 32.58 29.48 1q8l s HIS 21 CO 0.00 -2.87 0.33 0.45 -0.85 0.00 0.00 174.74 171.80 1q8l s SER 22 N -4.93 -0.14 -0.08 1.40 0.15 -1.26 -4.91 113.70 103.94 1q8l s SER 22 Ca 0.76 -0.32 0.11 0.00 0.70 0.00 0.00 55.95 57.21 1q8l s SER 22 Cb -0.02 0.41 0.23 0.00 -1.71 0.00 0.00 66.02 64.92 1q8l s SER 22 CO 0.54 -0.74 1.14 0.00 1.20 0.00 0.00 173.24 175.38 1q8l n THR 24 N -0.17 0.30 0.01 0.00 -2.24 -1.26 -2.87 114.28 108.04 1q8l n THR 24 Ca -0.14 0.07 -0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1q8l n THR 24 Cb 0.86 -0.83 0.30 0.00 -2.10 0.00 0.00 70.33 68.56 1q8l n THR 24 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1q8l h SER 25 N 0.00 0.47 0.00 3.42 0.02 -2.03 -2.13 113.55 113.30 1q8l h SER 25 Ca 0.00 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1q8l h SER 25 Cb 0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1q8l h SER 25 CO 0.00 0.55 -0.17 0.71 -1.14 0.00 0.00 176.83 176.78 1q8l h THR 26 N 0.48 1.22 -0.55 -2.27 1.35 -1.97 -2.76 112.91 108.40 1q8l h THR 26 Ca 0.10 -0.98 0.07 0.00 -0.55 0.00 0.00 66.41 65.05 1q8l h THR 26 Cb 0.34 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 68.00 1q8l h THR 26 CO 0.01 0.31 0.37 0.40 -0.25 0.00 0.00 175.52 176.36 1q8l h ILE 27 N 0.30 0.96 0.09 6.82 2.04 -1.58 -0.60 117.51 125.55 1q8l h ILE 27 Ca 0.06 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1q8l h ILE 27 Cb 0.49 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1q8l h ILE 27 CO 0.03 0.09 -0.10 -0.08 0.00 0.00 0.00 178.15 178.08 1q8l h GLU 28 N 0.47 -0.19 0.00 2.37 4.22 -1.55 -2.21 114.58 117.69 1q8l h GLU 28 Ca 0.24 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.65 1q8l h GLU 28 Cb 0.36 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1q8l h GLU 28 CO -0.07 -0.13 -0.23 0.78 -2.18 0.00 0.00 179.01 177.19 1q8l h GLY 29 N -0.19 0.00 0.52 1.92 0.00 -1.69 -1.43 103.07 102.19 1q8l h GLY 29 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1q8l h GLY 29 CO -0.02 0.00 -0.00 1.70 0.00 0.00 0.00 176.54 178.22 1q8l h LYS 30 N 0.00 0.01 0.00 4.80 3.64 -1.12 -1.42 116.57 122.48 1q8l h LYS 30 Ca -0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1q8l h LYS 30 Cb 0.93 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1q8l h LYS 30 CO 0.03 0.49 -0.50 0.82 -2.27 0.00 0.00 179.45 178.02 1q8l h ILE 31 N -0.47 1.08 0.00 2.00 1.08 -1.46 -2.94 117.51 116.79 1q8l h ILE 31 Ca 0.00 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.55 1q8l h ILE 31 Cb 0.49 2.13 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1q8l h ILE 31 CO 0.00 0.49 0.00 1.23 -0.69 0.00 0.00 178.15 179.18 1q8l h GLY 32 N 2.30 0.00 0.69 5.37 0.00 -1.17 -2.99 103.07 107.27 1q8l h GLY 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1q8l h GLY 32 CO 0.07 0.00 -0.15 1.17 0.00 0.00 0.00 176.54 177.62 1q8l n LYS 33 N -2.66 0.74 -2.16 4.80 3.00 -0.55 -4.88 118.16 116.44 1q8l n LYS 33 Ca 0.04 -0.32 -0.42 0.00 -0.00 0.00 0.00 58.31 57.60 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 -2.48 4.34 0.39 3.14 1.43 -1.13 -4.99 118.68 119.37 1q8l s LEU 34 Ca 0.27 2.23 -0.25 0.00 -1.03 0.00 0.00 54.13 55.36 1q8l s LEU 34 Cb 0.20 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.76 1q8l s LEU 34 CO 0.49 -0.72 1.07 0.00 0.23 0.00 0.00 176.35 177.42 1q8l s GLN 35 N 2.02 4.20 -0.21 1.70 -2.07 -1.26 -3.52 119.66 120.53 1q8l s GLN 35 Ca 0.66 1.59 0.00 0.00 -1.82 0.00 0.00 55.36 55.78 1q8l s GLN 35 Cb -0.34 -2.63 0.00 0.00 -1.09 0.00 0.00 33.01 28.94 1q8l s GLN 35 CO 0.29 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.54 1q8l n GLY 36 N 0.49 0.53 3.76 2.60 0.00 -1.26 -4.40 105.19 106.90 1q8l n GLY 36 Ca 0.04 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.91 4.81 0.00 1.61 1.01 -1.23 -1.13 120.40 123.55 1q8l s VAL 37 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1q8l s VAL 37 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1q8l s VAL 37 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.51 1q8l n GLN 38 N 2.63 0.00 -3.48 2.72 1.13 -0.26 -4.93 117.38 115.19 1q8l n GLN 38 Ca -0.05 0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.81 1q8l n GLN 38 Cb 0.51 -0.15 -0.01 0.00 0.11 0.00 0.00 30.24 30.70 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 -0.07 3.23 -0.34 -1.09 6.06 -1.02 -4.96 118.95 120.75 1q8l s ARG 39 Ca 0.00 -0.77 0.06 0.00 -2.50 0.00 0.00 55.73 52.52 1q8l s ARG 39 Cb 0.00 -2.77 0.18 0.00 0.06 0.00 0.00 34.95 32.42 1q8l s ARG 39 CO 0.00 0.09 0.55 -1.50 -2.50 0.00 0.00 175.30 171.94 1q8l s ILE 40 N -2.22 -0.86 0.18 4.11 2.07 -1.26 -1.47 121.20 121.75 1q8l s ILE 40 Ca 0.42 -0.17 0.05 0.00 -1.41 0.00 0.00 60.65 59.55 1q8l s ILE 40 Cb -0.09 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 1q8l s ILE 40 CO 0.33 -0.12 0.16 -0.54 -1.91 0.00 0.00 174.94 172.86 1q8l s LYS 41 N 2.26 2.96 -0.07 3.50 1.02 -0.56 -4.97 119.74 123.87 1q8l s LYS 41 Ca 0.13 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 1q8l s LYS 41 Cb -0.09 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1q8l s LYS 41 CO -0.17 0.47 0.17 0.08 -0.92 0.00 0.00 175.35 174.98 1q8l s VAL 42 N -1.83 -0.03 -0.07 3.17 1.01 -1.26 -0.40 120.40 120.99 1q8l s VAL 42 Ca 0.32 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1q8l s VAL 42 Cb -0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1q8l s VAL 42 CO 0.24 0.05 -0.10 -0.55 0.00 0.00 0.00 175.10 174.73 1q8l s SER 43 N 0.83 4.33 0.62 3.32 0.15 -0.08 -4.95 113.70 117.91 1q8l s SER 43 Ca -0.06 -0.14 0.38 0.00 0.70 0.00 0.00 55.95 56.83 1q8l s SER 43 Cb -0.08 -1.14 2.05 0.00 -1.71 0.00 0.00 66.02 65.15 1q8l s SER 43 CO -0.04 0.32 2.15 -0.07 1.20 0.00 0.00 173.24 176.80 1q8l h LEU 44 N 5.57 0.00 -8.17 3.45 3.38 -1.95 -1.59 115.31 116.00 1q8l h LEU 44 Ca -0.44 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.21 1q8l h LEU 44 Cb 1.17 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1q8l h LEU 44 CO 0.53 0.00 0.85 -1.81 0.09 0.00 0.00 178.44 178.10 1q8l s ASP 45 N -4.79 5.20 -1.34 -0.43 1.11 -1.26 -3.69 116.67 111.46 1q8l s ASP 45 Ca -0.04 -0.93 -0.02 0.00 0.18 0.00 0.00 52.55 51.74 1q8l s ASP 45 Cb 0.11 -2.57 -0.00 0.00 1.07 0.00 0.00 42.92 41.53 1q8l s ASP 45 CO 0.34 -2.74 0.55 0.59 1.18 0.00 0.00 175.17 175.10 1q8l n ASN 46 N 13.76 -1.09 -4.33 0.27 3.02 -1.26 -1.97 115.26 123.66 1q8l n ASN 46 Ca 0.41 -0.94 -0.33 0.00 -0.03 0.00 0.00 54.58 53.69 1q8l n ASN 46 Cb 0.47 -3.45 -0.09 0.00 -0.61 0.00 0.00 39.78 36.10 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 -4.33 -0.89 -2.20 3.52 -0.06 -1.11 -2.90 117.38 109.42 1q8l n GLN 47 Ca -0.29 0.10 -0.35 0.00 -2.00 0.00 0.00 57.00 54.46 1q8l n GLN 47 Cb 0.68 -3.77 -0.04 0.00 -4.06 0.00 0.00 30.24 23.05 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 -7.24 2.83 -0.15 3.69 2.12 -0.62 -3.64 118.70 115.69 1q8l s GLU 48 Ca 0.20 -0.07 -0.21 0.00 0.36 0.00 0.00 54.97 55.26 1q8l s GLU 48 Cb -0.12 -4.72 -0.03 0.00 0.26 0.00 0.00 34.13 29.52 1q8l s GLU 48 CO 0.98 -2.78 0.60 0.00 -0.54 0.00 0.00 175.26 173.52 1q8l s ALA 49 N 8.31 3.47 -0.60 6.30 0.00 0.03 -0.90 121.76 138.38 1q8l s ALA 49 Ca 0.60 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1q8l s ALA 49 Cb -0.08 -2.88 0.15 0.00 0.00 0.00 0.00 23.12 20.32 1q8l s ALA 49 CO 0.08 -0.30 0.42 0.99 0.00 0.00 0.00 175.76 176.95 1q8l s THR 50 N 1.30 3.78 0.05 0.00 2.01 0.47 -0.36 115.64 122.87 1q8l s THR 50 Ca 0.30 -2.73 -0.15 0.00 0.31 0.00 0.00 61.69 59.42 1q8l s THR 50 Cb -0.16 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 68.82 1q8l s THR 50 CO 0.12 -0.85 0.46 -0.63 -0.69 0.00 0.00 174.62 173.03 1q8l s ILE 51 N 0.21 4.96 0.01 1.82 1.09 -0.59 -1.49 121.20 127.20 1q8l s ILE 51 Ca 0.15 0.85 0.07 0.00 -1.10 0.00 0.00 60.65 60.63 1q8l s ILE 51 Cb -0.20 -3.74 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 1q8l s ILE 51 CO -0.04 0.48 -0.23 -0.69 -0.10 0.00 0.00 174.94 174.37 1q8l s VAL 52 N -1.19 1.82 0.15 2.92 1.01 -0.54 -1.22 120.40 123.35 1q8l s VAL 52 Ca 0.28 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 1q8l s VAL 52 Cb -0.17 -1.53 0.07 0.00 0.00 0.00 0.00 36.38 34.75 1q8l s VAL 52 CO 0.16 0.41 0.70 -0.72 0.00 0.00 0.00 175.10 175.65 1q8l s TYR 53 N -0.64 -0.41 0.21 5.22 1.13 -0.54 -1.10 117.35 121.23 1q8l s TYR 53 Ca 0.09 0.16 -0.30 0.00 -1.41 0.00 0.00 57.07 55.61 1q8l s TYR 53 Cb -0.09 0.59 -0.09 0.00 -1.10 0.00 0.00 41.96 41.28 1q8l s TYR 53 CO 0.00 -0.87 1.21 -0.65 -2.51 0.00 0.00 175.55 172.73 1q8l s GLN 54 N -3.64 4.49 0.80 -3.49 -0.21 -0.29 0.55 119.66 117.87 1q8l s GLN 54 Ca 0.04 1.92 -0.14 0.00 0.02 0.00 0.00 55.36 57.20 1q8l s GLN 54 Cb -0.02 -3.21 0.07 0.00 1.00 0.00 0.00 33.01 30.85 1q8l s GLN 54 CO -0.07 -0.07 1.15 -0.35 -2.12 0.00 0.00 175.29 173.83 1q8l n PRO 55 N 2.17 0.25 -0.48 2.91 -0.04 -1.26 -3.10 135.00 135.44 1q8l n PRO 55 Ca 0.03 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1q8l n PRO 55 Cb 0.44 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 -3.15 0.00 0.02 0.54 1.44 -1.26 -4.77 115.22 108.05 1q8l n HIS 56 Ca 0.13 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.65 1q8l n HIS 56 Cb 0.50 -1.30 -0.11 0.00 0.12 0.00 0.00 29.99 29.20 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 0.76 -7.05 2.39 -0.00 -1.88 -3.48 115.31 106.05 1q8l h LEU 57 Ca 0.00 -0.74 0.16 0.00 -0.00 0.00 0.00 57.88 57.29 1q8l h LEU 57 Cb 0.33 -0.23 -0.16 0.00 -0.00 0.00 0.00 40.66 40.60 1q8l h LEU 57 CO 0.00 1.40 0.59 -0.51 -0.00 0.00 0.00 178.44 179.92 1q8l s ILE 58 N -3.29 0.00 -0.44 1.22 2.07 -1.26 -4.91 121.20 114.59 1q8l s ILE 58 Ca -0.11 -0.05 -0.17 0.00 -1.41 0.00 0.00 60.65 58.91 1q8l s ILE 58 Cb 0.06 -1.09 0.04 0.00 0.13 0.00 0.00 42.46 41.59 1q8l s ILE 58 CO 0.88 0.00 0.43 -0.94 -1.91 0.00 0.00 174.94 173.40 1q8l s SER 59 N -2.45 6.17 0.24 4.50 1.04 -1.26 -4.90 113.70 117.05 1q8l s SER 59 Ca 0.07 -0.88 0.12 0.00 0.48 0.00 0.00 55.95 55.74 1q8l s SER 59 Cb -0.01 -2.21 0.14 0.00 0.10 0.00 0.00 66.02 64.04 1q8l s SER 59 CO -0.07 -0.61 1.47 0.58 0.98 0.00 0.00 173.24 175.59 1q8l h VAL 60 N 5.73 1.25 0.00 5.02 2.07 -1.99 -2.89 116.25 125.44 1q8l h VAL 60 Ca -0.27 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 64.78 1q8l h VAL 60 Cb 1.11 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1q8l h VAL 60 CO 0.82 0.65 0.00 -0.08 0.02 0.00 0.00 177.57 178.98 1q8l h GLU 61 N 0.00 0.00 0.18 1.57 4.81 -1.98 0.07 114.58 119.22 1q8l h GLU 61 Ca -0.01 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 1q8l h GLU 61 Cb 1.37 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.77 1q8l h GLU 61 CO 0.09 0.00 -1.31 1.49 -0.73 0.00 0.00 179.01 178.55 1q8l h GLU 62 N 0.00 0.38 -0.21 1.92 4.81 -1.93 -2.83 114.58 116.71 1q8l h GLU 62 Ca 0.00 -0.64 -0.10 0.00 -0.13 0.00 0.00 59.36 58.49 1q8l h GLU 62 Cb 0.52 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1q8l h GLU 62 CO 0.00 1.31 -0.30 1.98 -0.73 0.00 0.00 179.01 181.27 1q8l h MET 63 N -0.12 0.43 0.00 1.92 4.05 -1.34 -2.60 114.93 117.26 1q8l h MET 63 Ca -0.25 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 1q8l h MET 63 Cb 1.90 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.68 1q8l h MET 63 CO 0.17 0.68 0.00 1.57 0.23 0.00 0.00 176.91 179.57 1q8l h LYS 64 N 0.37 0.00 -0.10 0.39 5.09 -1.07 -3.12 116.57 118.12 1q8l h LYS 64 Ca 0.05 0.00 0.03 0.00 0.09 0.00 0.00 60.65 60.82 1q8l h LYS 64 Cb 0.71 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.04 1q8l h LYS 64 CO 0.05 0.00 0.08 -0.22 -2.09 0.00 0.00 179.45 177.27 1q8l h LYS 65 N 0.00 0.00 -0.21 0.07 1.63 -1.20 0.15 116.57 117.01 1q8l h LYS 65 Ca 0.00 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 1q8l h LYS 65 Cb 0.84 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1q8l h LYS 65 CO 0.00 0.00 -0.26 1.96 -3.45 0.00 0.00 179.45 177.70 1q8l h GLN 66 N 0.00 0.40 -0.13 1.90 1.08 -1.66 -1.33 115.11 115.36 1q8l h GLN 66 Ca 0.05 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1q8l h GLN 66 Cb 0.21 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1q8l h GLN 66 CO -0.00 0.64 -0.19 0.82 -0.95 0.00 0.00 178.83 179.15 1q8l h ILE 67 N 0.35 1.20 0.00 2.54 2.04 -0.87 -1.21 117.51 121.57 1q8l h ILE 67 Ca 0.05 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 1q8l h ILE 67 Cb 0.65 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1q8l h ILE 67 CO 0.05 0.28 -0.46 -0.33 0.00 0.00 0.00 178.15 177.69 1q8l h GLU 68 N 0.21 0.00 0.02 2.37 5.08 -1.09 0.85 114.58 122.02 1q8l h GLU 68 Ca 0.04 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 1q8l h GLU 68 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1q8l h GLU 68 CO 0.03 0.39 -1.04 0.00 -1.00 0.00 0.00 179.01 177.38 1q8l h ALA 69 N 1.60 0.21 0.00 3.43 0.00 -0.31 -3.15 119.26 121.03 1q8l h ALA 69 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1q8l h ALA 69 Cb 1.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1q8l h ALA 69 CO 0.05 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1q8l n MET 70 N -3.78 0.19 0.00 0.00 0.00 -0.55 -4.87 117.12 108.12 1q8l n MET 70 Ca -0.09 0.32 0.00 0.00 0.00 0.00 0.00 57.70 57.93 1q8l n MET 70 Cb 0.89 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 32.30 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 0.48 0.77 3.00 3.17 0.00 -1.19 -5.07 105.19 106.35 1q8l n GLY 71 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.56 3.61 0.17 1.61 0.40 0.29 -4.72 117.98 117.77 1q8l s PHE 72 Ca 0.00 -3.13 -0.33 0.00 -0.60 0.00 0.00 56.93 52.86 1q8l s PHE 72 Cb 0.00 -2.97 -0.15 0.00 0.51 0.00 0.00 43.02 40.41 1q8l s PHE 72 CO 0.00 -0.67 1.26 -2.30 0.70 0.00 0.00 175.22 174.20 1q8l n PRO 73 N 2.44 1.36 -4.07 0.24 -0.02 -1.26 -3.01 135.00 130.68 1q8l n PRO 73 Ca 0.17 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 1q8l n PRO 73 Cb 0.36 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.01 2.29 -1.43 3.55 0.00 -1.26 0.29 121.76 125.20 1q8l s ALA 74 Ca 0.75 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1q8l s ALA 74 Cb -0.83 -1.31 0.05 0.00 0.00 0.00 0.00 23.12 21.03 1q8l s ALA 74 CO 0.50 -0.70 2.14 1.19 0.00 0.00 0.00 175.76 178.89 1q8l n PHE 75 N 4.59 3.67 -2.82 0.00 3.72 -0.10 -4.85 117.46 121.67 1q8l n PHE 75 Ca -0.17 -2.96 -0.43 0.00 -0.05 0.00 0.00 57.45 53.84 1q8l n PHE 75 Cb 0.47 -2.54 -0.03 0.00 -0.94 0.00 0.00 39.48 36.44 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 3.19 4.49 -0.43 -4.37 1.01 -1.26 -3.67 120.40 119.36 1q8l s VAL 76 Ca 0.48 -1.32 0.07 0.00 0.00 0.00 0.00 61.98 61.21 1q8l s VAL 76 Cb 0.12 -4.85 0.22 0.00 0.00 0.00 0.00 36.38 31.87 1q8l s VAL 76 CO -0.06 -1.63 0.60 2.29 0.00 0.00 0.00 175.10 176.30 1q8l n LYS 77 N 7.22 0.60 -0.08 2.72 2.85 -1.26 -4.98 118.16 125.24 1q8l n LYS 77 Ca 0.26 -2.71 -0.11 0.00 -1.05 0.00 0.00 58.31 54.70 1q8l n LYS 77 Cb 0.50 -1.40 -0.04 0.00 -0.65 0.00 0.00 35.03 33.44 1q8l n LYS 77 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1q8l h LYS 78 N 4.44 0.39 -2.15 -1.58 3.64 -1.87 -3.37 116.57 116.07 1q8l h LYS 78 Ca 0.05 -0.09 -0.57 0.00 -1.27 0.00 0.00 60.65 58.77 1q8l h LYS 78 Cb 0.95 -0.05 -0.39 0.00 -0.41 0.00 0.00 32.23 32.32 1q8l h LYS 78 CO 0.36 0.48 -0.99 0.00 -2.27 0.00 0.00 179.45 177.03 1q8l n GLN 79 N -4.74 0.87 -0.12 1.90 10.64 -1.26 -5.00 117.38 119.68 1q8l n GLN 79 Ca -0.03 -3.45 -0.12 0.00 -1.83 0.00 0.00 57.00 51.57 1q8l n GLN 79 Cb 0.17 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.03 1q8l n GLN 79 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1q8l h PRO 80 N 4.45 0.75 0.00 2.61 0.13 -1.87 -3.46 132.00 134.61 1q8l h PRO 80 Ca 0.13 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1q8l h PRO 80 Cb 0.85 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1q8l h PRO 80 CO 0.50 0.94 0.00 1.17 -0.23 0.00 0.00 178.00 180.38 1q8l n LYS 81 N -4.30 -0.40 -4.30 0.86 4.81 -1.26 -4.91 118.16 108.66 1q8l n LYS 81 Ca -0.02 0.10 -0.18 0.00 -0.87 0.00 0.00 58.31 57.33 1q8l n LYS 81 Cb 0.40 -4.02 -0.09 0.00 0.02 0.00 0.00 35.03 31.34 1q8l n LYS 81 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1q8l s TYR 82 N -1.75 1.62 -0.28 5.64 2.02 -1.26 -5.03 117.35 118.30 1q8l s TYR 82 Ca 0.00 -1.52 -0.03 0.00 -0.37 0.00 0.00 57.07 55.15 1q8l s TYR 82 Cb 0.00 -0.75 0.06 0.00 -0.40 0.00 0.00 41.96 40.87 1q8l s TYR 82 CO 0.00 -0.71 2.52 1.28 -1.57 0.00 0.00 175.55 177.07 1q8l n LEU 83 N -0.57 6.16 0.00 -1.29 4.77 -1.26 -5.19 117.00 119.62 1q8l n LEU 83 Ca 0.04 -3.45 0.00 0.00 -0.03 0.00 0.00 56.01 52.57 1q8l n LEU 83 Cb 0.64 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1q8l n LEU 83 CO 0.33 1.45 0.00 1.17 -1.33 0.00 0.00 177.39 179.01