#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 -0.11 1.61 3.41 -1.26 -1.56 113.62 115.71 1q8l n SER 2 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1q8l n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1q8l n SER 2 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1q8l h MET 3 N 0.00 0.65 0.00 4.33 2.86 -2.01 -3.43 114.93 117.33 1q8l h MET 3 Ca 0.00 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1q8l h MET 3 Cb 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1q8l h MET 3 CO 0.00 0.82 0.00 0.00 1.06 0.00 0.00 176.91 178.79 1q8l n ALA 4 N -2.42 0.24 -2.87 6.32 0.00 -0.83 -5.10 120.51 115.85 1q8l n ALA 4 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 1q8l n ALA 4 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 3.13 -1.37 0.00 1.11 -0.60 -4.80 119.66 117.13 1q8l s GLN 5 Ca 0.00 -0.88 -0.09 0.00 0.01 0.00 0.00 55.36 54.40 1q8l s GLN 5 Cb 0.00 -4.18 0.10 0.00 -1.01 0.00 0.00 33.01 27.92 1q8l s GLN 5 CO 0.00 -1.55 2.23 0.00 0.01 0.00 0.00 175.29 175.98 1q8l n ALA 6 N 6.95 6.12 -2.77 6.09 0.00 -1.26 -0.26 120.51 135.38 1q8l n ALA 6 Ca -0.05 -4.07 -0.04 0.00 0.00 0.00 0.00 53.44 49.28 1q8l n ALA 6 Cb 0.45 -3.07 0.01 0.00 0.00 0.00 0.00 19.45 16.85 1q8l n ALA 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q8l s GLY 7 N 1.27 -1.35 0.03 0.00 0.00 -1.26 -4.78 107.32 101.22 1q8l s GLY 7 Ca 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1q8l s GLY 7 CO -0.05 3.75 0.00 -1.84 0.00 0.00 0.00 173.10 174.96 1q8l n GLU 8 N 2.98 -0.23 -3.91 2.90 0.28 -1.26 -4.92 120.64 116.48 1q8l n GLU 8 Ca 0.17 0.15 -0.11 0.00 -0.16 0.00 0.00 57.16 57.21 1q8l n GLU 8 Cb 0.57 -0.28 -0.11 0.00 1.43 0.00 0.00 31.44 33.05 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 -0.76 0.07 -0.45 3.84 -7.23 -0.14 -4.64 120.40 111.08 1q8l s VAL 9 Ca 0.00 -0.57 0.09 0.00 -1.81 0.00 0.00 61.98 59.69 1q8l s VAL 9 Cb 0.00 -0.26 0.38 0.00 0.56 0.00 0.00 36.38 37.06 1q8l s VAL 9 CO 0.00 -0.31 0.92 1.33 -0.31 0.00 0.00 175.10 176.73 1q8l n VAL 10 N 2.00 1.66 -2.14 1.32 0.24 -1.26 -2.35 118.33 117.79 1q8l n VAL 10 Ca -0.20 -4.75 -0.37 0.00 -2.04 0.00 0.00 64.34 56.98 1q8l n VAL 10 Cb 0.57 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 -3.13 3.94 -0.11 1.34 1.43 -1.26 -5.02 118.68 115.86 1q8l s LEU 11 Ca 0.43 2.40 -0.03 0.00 -1.03 0.00 0.00 54.13 55.90 1q8l s LEU 11 Cb 0.35 -4.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1q8l s LEU 11 CO -0.10 -1.12 0.00 -0.54 0.23 0.00 0.00 176.35 174.82 1q8l s LYS 12 N -2.82 3.27 -0.02 1.70 -0.14 -1.26 -4.24 119.74 116.23 1q8l s LYS 12 Ca 0.67 -0.42 0.01 0.00 -1.36 0.00 0.00 55.97 54.87 1q8l s LYS 12 Cb -0.31 -2.88 0.01 0.00 -1.68 0.00 0.00 37.83 32.97 1q8l s LYS 12 CO 0.37 0.55 -0.04 -1.64 -0.76 0.00 0.00 175.35 173.83 1q8l s MET 13 N -0.45 0.49 0.13 1.68 -1.94 0.07 -4.46 119.30 114.81 1q8l s MET 13 Ca 0.08 -0.12 0.07 0.00 -1.71 0.00 0.00 55.69 54.01 1q8l s MET 13 Cb -0.12 -0.51 -0.04 0.00 2.01 0.00 0.00 34.83 36.17 1q8l s MET 13 CO 0.02 0.03 -0.08 0.21 -0.01 0.00 0.00 175.02 175.19 1q8l s LYS 14 N 0.30 2.17 0.26 2.03 2.20 -1.25 -0.37 119.74 125.08 1q8l s LYS 14 Ca -0.03 -1.07 0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1q8l s LYS 14 Cb -0.07 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.90 1q8l s LYS 14 CO -0.00 0.49 0.03 0.08 -0.36 0.00 0.00 175.35 175.59 1q8l s VAL 15 N -1.37 0.95 -0.10 4.02 1.01 0.40 -0.67 120.40 124.64 1q8l s VAL 15 Ca 0.23 -2.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.04 1q8l s VAL 15 Cb -0.10 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1q8l s VAL 15 CO 0.15 -0.19 0.37 -0.70 0.00 0.00 0.00 175.10 174.73 1q8l s GLU 16 N -3.91 4.13 -0.02 2.72 2.56 0.46 -4.39 118.70 120.25 1q8l s GLU 16 Ca 0.32 0.27 0.01 0.00 0.00 0.00 0.00 54.97 55.57 1q8l s GLU 16 Cb 0.07 -3.35 0.07 0.00 2.00 0.00 0.00 34.13 32.91 1q8l s GLU 16 CO 0.11 0.38 0.64 0.41 -0.56 0.00 0.00 175.26 176.24 1q8l n GLY 17 N 2.81 1.49 4.00 -1.50 0.00 -1.25 -4.79 105.19 105.95 1q8l n GLY 17 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.03 0.00 -4.16 1.61 1.56 -1.26 -4.51 117.12 110.39 1q8l n MET 18 Ca 0.02 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.29 1q8l n MET 18 Cb 0.32 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.63 1q8l n MET 18 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1q8l s THR 19 N 0.00 0.00 0.60 1.12 -4.23 -1.26 -5.02 115.64 106.85 1q8l s THR 19 Ca 0.00 -1.75 0.30 0.00 -1.18 0.00 0.00 61.69 59.06 1q8l s THR 19 Cb 0.00 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.62 1q8l s THR 19 CO 0.00 0.00 2.21 0.00 -0.54 0.00 0.00 174.62 176.29 1q8l n HIS 21 N -3.76 1.79 -1.08 0.00 8.25 -1.26 -4.98 115.22 114.18 1q8l n HIS 21 Ca -0.01 -2.08 -0.32 0.00 -0.26 0.00 0.00 57.72 55.05 1q8l n HIS 21 Cb 0.17 -1.20 0.12 0.00 1.12 0.00 0.00 29.99 30.20 1q8l n HIS 21 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1q8l s SER 22 N -0.00 3.74 -0.20 0.41 1.04 -0.70 -4.97 113.70 113.02 1q8l s SER 22 Ca 0.47 2.14 0.12 0.00 0.48 0.00 0.00 55.95 59.16 1q8l s SER 22 Cb 0.34 -2.56 0.42 0.00 0.10 0.00 0.00 66.02 64.32 1q8l s SER 22 CO -0.12 -2.56 1.22 0.00 0.98 0.00 0.00 173.24 172.76 1q8l h THR 24 N 1.25 0.00 -0.87 0.00 1.35 -1.97 -2.73 112.91 109.93 1q8l h THR 24 Ca -0.00 -0.08 0.17 0.00 -0.55 0.00 0.00 66.41 65.94 1q8l h THR 24 Cb 1.04 0.68 -0.07 0.00 -1.73 0.00 0.00 68.15 68.08 1q8l h THR 24 CO 0.01 0.00 0.57 0.77 -0.25 0.00 0.00 175.52 176.63 1q8l h SER 25 N 0.00 0.51 -0.11 5.36 4.64 -2.02 -0.10 113.55 121.83 1q8l h SER 25 Ca 0.00 0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.17 1q8l h SER 25 Cb 0.12 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1q8l h SER 25 CO 0.00 0.24 -0.67 0.71 -0.87 0.00 0.00 176.83 176.23 1q8l h THR 26 N 0.53 1.32 -0.85 2.95 1.35 -1.90 -3.23 112.91 113.08 1q8l h THR 26 Ca 0.45 -1.94 0.13 0.00 -0.55 0.00 0.00 66.41 64.50 1q8l h THR 26 Cb 0.93 2.14 -0.06 0.00 -1.73 0.00 0.00 68.15 69.43 1q8l h THR 26 CO -0.19 0.60 0.55 0.40 -0.25 0.00 0.00 175.52 176.63 1q8l h ILE 27 N 0.31 0.87 0.08 6.82 2.04 -1.18 0.26 117.51 126.72 1q8l h ILE 27 Ca -0.05 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1q8l h ILE 27 Cb 1.32 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1q8l h ILE 27 CO 0.14 0.13 -0.19 -0.08 0.00 0.00 0.00 178.15 178.14 1q8l h GLU 28 N 0.69 -0.29 0.00 2.37 4.81 -1.43 -0.92 114.58 119.80 1q8l h GLU 28 Ca 0.42 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1q8l h GLU 28 Cb 0.64 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1q8l h GLU 28 CO -0.18 -0.19 0.00 0.41 -0.73 0.00 0.00 179.01 178.32 1q8l n GLY 29 N -1.19 -1.52 0.06 1.92 0.00 -1.12 -2.41 105.19 100.94 1q8l n GLY 29 Ca -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 1q8l n GLY 29 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1q8l h LYS 30 N 0.00 0.00 0.00 1.61 3.11 -0.80 -3.10 116.57 117.38 1q8l h LYS 30 Ca 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1q8l h LYS 30 Cb 0.56 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1q8l h LYS 30 CO 0.00 0.16 -0.16 0.97 -2.81 0.00 0.00 179.45 177.61 1q8l h ILE 31 N -1.00 0.82 0.00 2.00 -0.00 -1.30 -2.01 117.51 116.01 1q8l h ILE 31 Ca -0.03 -0.60 0.00 0.00 -0.00 0.00 0.00 64.86 64.23 1q8l h ILE 31 Cb 0.37 1.36 0.00 0.00 -0.00 0.00 0.00 36.82 38.55 1q8l h ILE 31 CO -0.02 0.15 -0.15 0.61 -0.00 0.00 0.00 178.15 178.74 1q8l n GLY 32 N -0.81 -1.52 0.00 8.18 0.00 -1.01 -3.44 105.19 106.59 1q8l n GLY 32 Ca -0.02 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.81 0.20 -1.74 1.61 3.00 -0.76 -4.88 118.16 113.80 1q8l n LYS 33 Ca 0.06 0.03 -0.41 0.00 -0.00 0.00 0.00 58.31 57.99 1q8l n LYS 33 Cb 0.38 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.92 1q8l n LYS 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1q8l n LEU 34 N -1.39 4.38 -4.78 3.14 4.77 -1.22 -4.97 117.00 116.92 1q8l n LEU 34 Ca 0.10 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.88 1q8l n LEU 34 Cb 0.26 -1.55 -0.05 0.00 -2.33 0.00 0.00 43.42 39.75 1q8l n LEU 34 CO 0.23 -0.27 0.70 0.00 -1.33 0.00 0.00 177.39 176.72 1q8l s GLN 35 N -2.16 4.37 0.00 3.23 -2.07 -1.26 -3.56 119.66 118.21 1q8l s GLN 35 Ca 0.58 1.45 0.00 0.00 -1.82 0.00 0.00 55.36 55.57 1q8l s GLN 35 Cb -0.50 -2.68 0.00 0.00 -1.09 0.00 0.00 33.01 28.74 1q8l s GLN 35 CO 0.60 0.06 0.00 0.41 -1.32 0.00 0.00 175.29 175.04 1q8l n GLY 36 N 0.46 0.43 3.72 2.60 0.00 -1.26 -4.35 105.19 106.80 1q8l n GLY 36 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.94 4.58 0.00 1.61 1.01 -1.23 -1.64 120.40 122.79 1q8l s VAL 37 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.02 1q8l s VAL 37 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1q8l s VAL 37 CO 0.00 0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.36 1q8l n GLN 38 N 3.13 0.00 -3.38 2.72 6.02 -0.07 -4.94 117.38 120.87 1q8l n GLN 38 Ca 0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.83 1q8l n GLN 38 Cb 0.50 -0.09 -0.00 0.00 1.02 0.00 0.00 30.24 31.67 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 3.12 -0.16 -1.09 6.06 -0.89 -4.95 118.95 121.04 1q8l s ARG 39 Ca 0.00 -0.89 -0.05 0.00 -2.50 0.00 0.00 55.73 52.30 1q8l s ARG 39 Cb 0.00 -2.77 0.08 0.00 0.06 0.00 0.00 34.95 32.32 1q8l s ARG 39 CO 0.00 0.00 0.28 -1.50 -2.50 0.00 0.00 175.30 171.58 1q8l s ILE 40 N -2.25 -0.44 -0.41 4.11 2.07 -1.26 -1.29 121.20 121.72 1q8l s ILE 40 Ca 0.45 0.19 0.06 0.00 -1.41 0.00 0.00 60.65 59.94 1q8l s ILE 40 Cb -0.10 -0.53 0.22 0.00 0.13 0.00 0.00 42.46 42.18 1q8l s ILE 40 CO 0.33 0.05 0.49 2.29 -1.91 0.00 0.00 174.94 176.18 1q8l n LYS 41 N 5.35 0.50 -2.95 3.50 2.85 -1.25 -5.00 118.16 121.16 1q8l n LYS 41 Ca -0.06 -3.03 -0.38 0.00 -1.05 0.00 0.00 58.31 53.79 1q8l n LYS 41 Cb 0.50 -1.42 -0.06 0.00 -0.65 0.00 0.00 35.03 33.40 1q8l n LYS 41 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1q8l s VAL 42 N -0.46 4.37 0.84 0.58 1.01 -1.26 -3.38 120.40 122.10 1q8l s VAL 42 Ca 0.34 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.86 1q8l s VAL 42 Cb 0.11 -4.02 0.18 0.00 0.00 0.00 0.00 36.38 32.65 1q8l s VAL 42 CO -0.15 0.31 1.15 -0.24 0.00 0.00 0.00 175.10 176.17 1q8l n SER 43 N 1.00 0.71 -4.99 3.32 2.88 -0.20 -4.92 113.62 111.43 1q8l n SER 43 Ca -0.02 -1.80 -0.23 0.00 -1.33 0.00 0.00 58.87 55.50 1q8l n SER 43 Cb 0.50 -0.82 0.04 0.00 -0.75 0.00 0.00 64.21 63.18 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 2.87 0.00 2.46 1.43 -1.26 -4.07 118.68 120.11 1q8l s LEU 44 Ca 0.70 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1q8l s LEU 44 Cb -0.03 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1q8l s LEU 44 CO 0.48 -1.33 0.00 0.47 0.23 0.00 0.00 176.35 176.19 1q8l n ASP 45 N -2.12 0.00 -0.35 2.29 9.92 -1.26 -1.85 116.55 123.18 1q8l n ASP 45 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1q8l n ASP 45 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 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 2.96 0.67 -3.56 -2.24 4.13 -1.26 -3.74 115.26 112.22 1q8l n ASN 46 Ca 0.00 -1.92 -0.17 0.00 1.68 0.00 0.00 54.58 54.17 1q8l n ASN 46 Cb 0.00 -0.34 -0.02 0.00 -1.54 0.00 0.00 39.78 37.88 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 -0.14 -0.85 -1.93 3.52 -0.06 -0.77 -0.45 117.38 116.70 1q8l n GLN 47 Ca 0.00 -0.09 -0.29 0.00 -2.00 0.00 0.00 57.00 54.62 1q8l n GLN 47 Cb 0.17 -1.20 -0.05 0.00 -4.06 0.00 0.00 30.24 25.11 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 -5.47 2.39 0.05 3.69 2.12 -1.26 -4.05 118.70 116.17 1q8l s GLU 48 Ca 0.09 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 1q8l s GLU 48 Cb -0.05 -4.78 -0.05 0.00 0.26 0.00 0.00 34.13 29.51 1q8l s GLU 48 CO 0.45 -3.34 1.11 0.00 -0.54 0.00 0.00 175.26 172.94 1q8l s ALA 49 N 10.68 3.30 -0.42 6.30 0.00 0.51 -1.03 121.76 141.10 1q8l s ALA 49 Ca 0.75 0.73 0.10 0.00 0.00 0.00 0.00 51.96 53.53 1q8l s ALA 49 Cb -0.10 -3.40 0.32 0.00 0.00 0.00 0.00 23.12 19.94 1q8l s ALA 49 CO 0.09 -0.34 0.70 2.41 0.00 0.00 0.00 175.76 178.63 1q8l n THR 50 N 3.80 0.26 -2.35 0.00 -1.04 -1.22 -0.75 114.28 112.98 1q8l n THR 50 Ca 0.07 -4.60 -0.41 0.00 -2.04 0.00 0.00 64.05 57.07 1q8l n THR 50 Cb 0.48 -0.97 -0.03 0.00 -1.82 0.00 0.00 70.33 67.98 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 -2.36 3.51 -0.15 12.58 1.09 -1.26 -3.83 121.20 130.79 1q8l s ILE 51 Ca 0.40 1.27 -0.07 0.00 -1.10 0.00 0.00 60.65 61.15 1q8l s ILE 51 Cb 0.28 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 1q8l s ILE 51 CO -0.09 0.20 0.10 -0.69 -0.10 0.00 0.00 174.94 174.36 1q8l s VAL 52 N -0.04 5.12 0.16 2.92 1.01 -0.41 -4.35 120.40 124.80 1q8l s VAL 52 Ca 0.53 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 1q8l s VAL 52 Cb -0.33 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1q8l s VAL 52 CO 0.37 0.54 0.41 -0.72 0.00 0.00 0.00 175.10 175.70 1q8l s TYR 53 N -0.35 -0.04 0.53 5.22 1.13 -0.99 -0.89 117.35 121.97 1q8l s TYR 53 Ca 0.10 -0.30 -0.21 0.00 -1.41 0.00 0.00 57.07 55.24 1q8l s TYR 53 Cb -0.12 0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 40.93 1q8l s TYR 53 CO 0.01 -0.78 1.28 -0.65 -2.51 0.00 0.00 175.55 172.91 1q8l s GLN 54 N -3.86 3.25 0.00 -3.49 -0.21 -0.65 -0.97 119.66 113.72 1q8l s GLN 54 Ca 0.08 2.05 0.16 0.00 0.02 0.00 0.00 55.36 57.67 1q8l s GLN 54 Cb 0.01 -2.23 0.95 0.00 1.00 0.00 0.00 33.01 32.74 1q8l s GLN 54 CO -0.06 -1.05 1.54 -0.35 -2.12 0.00 0.00 175.29 173.25 1q8l n PRO 55 N -1.01 0.90 -0.67 2.91 -0.04 -1.26 -3.25 135.00 132.57 1q8l n PRO 55 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1q8l n PRO 55 Cb 0.47 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.78 0.00 -0.00 0.54 1.44 -1.26 -4.29 115.22 110.86 1q8l n HIS 56 Ca 0.12 -0.18 -0.20 0.00 -2.01 0.00 0.00 57.72 55.45 1q8l n HIS 56 Cb 0.05 0.34 -0.14 0.00 0.12 0.00 0.00 29.99 30.37 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 0.30 -7.94 2.39 -0.00 -1.88 -3.49 115.31 104.68 1q8l h LEU 57 Ca -0.21 -0.87 0.08 0.00 -0.00 0.00 0.00 57.88 56.88 1q8l h LEU 57 Cb 1.12 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.63 1q8l h LEU 57 CO -0.10 1.43 0.29 -0.51 -0.00 0.00 0.00 178.44 179.55 1q8l s ILE 58 N -2.41 0.00 -0.34 1.22 1.10 -1.26 -4.95 121.20 114.57 1q8l s ILE 58 Ca -0.19 -0.93 -0.08 0.00 -0.51 0.00 0.00 60.65 58.95 1q8l s ILE 58 Cb 0.02 -2.18 0.03 0.00 0.15 0.00 0.00 42.46 40.49 1q8l s ILE 58 CO 0.75 0.00 0.13 -0.94 -2.11 0.00 0.00 174.94 172.77 1q8l s SER 59 N -2.97 5.39 0.33 4.50 1.04 -1.26 -4.93 113.70 115.79 1q8l s SER 59 Ca 0.12 -1.01 0.14 0.00 0.48 0.00 0.00 55.95 55.69 1q8l s SER 59 Cb -0.05 -1.91 0.52 0.00 0.10 0.00 0.00 66.02 64.68 1q8l s SER 59 CO 0.07 -0.31 1.68 0.58 0.98 0.00 0.00 173.24 176.24 1q8l h VAL 60 N 6.03 1.17 0.00 5.02 2.07 -1.98 -2.54 116.25 126.01 1q8l h VAL 60 Ca -0.26 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 1q8l h VAL 60 Cb 1.10 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1q8l h VAL 60 CO 0.62 0.48 -0.01 -0.08 0.02 0.00 0.00 177.57 178.60 1q8l h GLU 61 N 0.00 0.00 -0.17 1.57 4.81 -2.00 -1.39 114.58 117.40 1q8l h GLU 61 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1q8l h GLU 61 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1q8l h GLU 61 CO 0.06 0.01 -0.43 1.49 -0.73 0.00 0.00 179.01 179.42 1q8l h GLU 62 N 0.00 0.60 -0.04 1.92 4.57 -1.88 -2.81 114.58 116.95 1q8l h GLU 62 Ca -0.00 -0.41 -0.04 0.00 -1.18 0.00 0.00 59.36 57.72 1q8l h GLU 62 Cb 0.18 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1q8l h GLU 62 CO 0.00 1.03 -0.19 0.52 -1.18 0.00 0.00 179.01 179.20 1q8l h MET 63 N 0.26 0.06 -0.25 1.92 2.86 -1.37 -1.54 114.93 116.87 1q8l h MET 63 Ca -0.00 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1q8l h MET 63 Cb 1.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1q8l h MET 63 CO 0.09 0.25 -0.06 0.87 1.06 0.00 0.00 176.91 179.12 1q8l h LYS 64 N 0.05 0.39 -0.23 1.72 1.79 -1.22 -1.79 116.57 117.28 1q8l h LYS 64 Ca 0.01 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 1q8l h LYS 64 Cb 0.36 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1q8l h LYS 64 CO 0.03 0.46 -0.14 -0.22 -1.08 0.00 0.00 179.45 178.50 1q8l h LYS 65 N 0.37 0.39 -0.39 3.15 1.63 -1.07 -0.96 116.57 119.69 1q8l h LYS 65 Ca 0.08 -0.11 -0.14 0.00 -0.85 0.00 0.00 60.65 59.63 1q8l h LYS 65 Cb 0.34 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1q8l h LYS 65 CO 0.01 0.53 -0.32 1.96 -3.45 0.00 0.00 179.45 178.18 1q8l h GLN 66 N 0.36 0.88 0.00 1.90 1.08 -1.28 0.29 115.11 118.35 1q8l h GLN 66 Ca 0.07 -0.43 -0.06 0.00 -1.45 0.00 0.00 58.65 56.78 1q8l h GLN 66 Cb 0.46 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1q8l h GLN 66 CO 0.03 1.07 -0.28 0.82 -0.95 0.00 0.00 178.83 179.52 1q8l h ILE 67 N 0.74 1.07 0.00 2.54 2.04 -0.88 -0.70 117.51 122.32 1q8l h ILE 67 Ca 0.08 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1q8l h ILE 67 Cb 0.89 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1q8l h ILE 67 CO 0.08 0.28 -0.89 -0.33 0.00 0.00 0.00 178.15 177.29 1q8l h GLU 68 N 0.00 0.00 0.09 2.37 5.08 -0.69 0.77 114.58 122.21 1q8l h GLU 68 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1q8l h GLU 68 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1q8l h GLU 68 CO 0.04 0.17 -1.16 0.00 -1.00 0.00 0.00 179.01 177.06 1q8l h ALA 69 N 1.74 0.15 0.00 3.43 0.00 0.47 -3.17 119.26 121.88 1q8l h ALA 69 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1q8l h ALA 69 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1q8l h ALA 69 CO 0.02 0.84 0.00 0.00 0.00 0.00 0.00 179.25 180.12 1q8l n MET 70 N -3.67 0.14 0.00 0.00 0.00 -0.36 -4.89 117.12 108.34 1q8l n MET 70 Ca -0.09 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.84 1q8l n MET 70 Cb 0.96 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 32.48 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 0.74 0.56 3.24 3.17 0.00 -1.20 -5.10 105.19 106.60 1q8l n GLY 71 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.10 3.48 0.19 1.61 0.40 0.26 -4.92 117.98 117.91 1q8l s PHE 72 Ca 0.00 -1.95 -0.32 0.00 -0.60 0.00 0.00 56.93 54.05 1q8l s PHE 72 Cb 0.00 -3.59 -0.15 0.00 0.51 0.00 0.00 43.02 39.79 1q8l s PHE 72 CO 0.00 -0.97 1.29 -2.30 0.70 0.00 0.00 175.22 173.94 1q8l n PRO 73 N 4.47 1.54 -5.06 0.24 -0.01 -1.26 -3.18 135.00 131.74 1q8l n PRO 73 Ca -0.00 0.55 -0.32 0.00 -0.01 0.00 0.00 63.50 63.71 1q8l n PRO 73 Cb 0.42 -2.13 -0.16 0.00 -0.01 0.00 0.00 33.50 31.61 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 -0.04 2.27 -1.26 3.55 0.00 -1.26 -0.40 121.76 124.62 1q8l s ALA 74 Ca 0.72 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1q8l s ALA 74 Cb -0.77 -0.92 0.17 0.00 0.00 0.00 0.00 23.12 21.60 1q8l s ALA 74 CO 0.50 0.24 2.12 1.19 0.00 0.00 0.00 175.76 179.81 1q8l n PHE 75 N 3.60 2.67 -2.58 0.00 3.01 0.16 -4.90 117.46 119.41 1q8l n PHE 75 Ca -0.19 -2.76 -0.42 0.00 1.01 0.00 0.00 57.45 55.09 1q8l n PHE 75 Cb 0.53 -1.73 -0.02 0.00 -0.01 0.00 0.00 39.48 38.25 1q8l n PHE 75 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1q8l s VAL 76 N -1.32 4.04 0.00 -4.37 1.01 -1.26 -3.89 120.40 114.61 1q8l s VAL 76 Ca 0.47 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1q8l s VAL 76 Cb 0.15 -5.11 0.00 0.00 0.00 0.00 0.00 36.38 31.42 1q8l s VAL 76 CO -0.06 -1.97 0.15 0.29 0.00 0.00 0.00 175.10 173.52 1q8l n LYS 77 N 8.59 -0.06 -2.19 2.72 5.02 -1.26 -5.04 118.16 125.94 1q8l n LYS 77 Ca 0.40 -0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 56.10 1q8l n LYS 77 Cb 0.49 -0.58 -0.02 0.00 -0.02 0.00 0.00 35.03 34.90 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 -0.02 4.17 -0.09 1.97 2.36 -1.26 -4.88 119.74 121.99 1q8l s LYS 78 Ca 0.00 1.92 -0.05 0.00 -2.55 0.00 0.00 55.97 55.30 1q8l s LYS 78 Cb 0.00 -3.90 -0.04 0.00 -1.05 0.00 0.00 37.83 32.84 1q8l s LYS 78 CO 0.00 -0.82 -0.12 1.04 1.55 0.00 0.00 175.35 177.00 1q8l n GLN 79 N 6.95 0.20 0.00 4.03 1.13 -1.26 -4.71 117.38 123.72 1q8l n GLN 79 Ca 0.16 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1q8l n GLN 79 Cb 0.44 -0.84 0.00 0.00 0.11 0.00 0.00 30.24 29.95 1q8l n GLN 79 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1q8l n PRO 80 N -3.40 0.00 0.00 -1.09 -0.04 -1.26 -5.00 135.00 124.21 1q8l n PRO 80 Ca -0.18 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1q8l n PRO 80 Cb 0.63 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 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 -0.87 0.00 -3.40 0.54 0.00 -1.26 -5.05 118.16 108.12 1q8l n LYS 81 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1q8l n LYS 81 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 35.03 35.09 1q8l n LYS 81 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1q8l n TYR 82 N 0.00 -2.28 -2.20 5.58 9.36 -1.26 -4.86 117.16 121.49 1q8l n TYR 82 Ca 0.00 0.72 -0.39 0.00 3.32 0.00 0.00 57.90 61.55 1q8l n TYR 82 Cb 0.00 -3.88 -0.03 0.00 -0.63 0.00 0.00 39.34 34.80 1q8l n TYR 82 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1q8l s LEU 83 N -5.73 3.25 0.00 2.98 2.96 -1.26 -5.22 118.68 115.66 1q8l s LEU 83 Ca 0.45 0.02 0.22 0.00 -0.22 0.00 0.00 54.13 54.60 1q8l s LEU 83 Cb -0.10 -2.54 1.29 0.00 0.50 0.00 0.00 46.19 45.34 1q8l s LEU 83 CO 0.78 -2.22 1.67 1.17 -1.32 0.00 0.00 176.35 176.44