#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 -3.24 -0.01 1.61 3.41 -1.26 -4.76 113.62 109.36 1q8l n SER 2 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1q8l n SER 2 Cb 0.00 -2.15 -0.12 0.00 -0.26 0.00 0.00 64.21 61.69 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 0.25 0.00 4.33 2.86 -2.01 -3.09 114.93 117.27 1q8l h MET 3 Ca 0.00 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1q8l h MET 3 Cb 0.54 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 1q8l h MET 3 CO 0.00 1.01 -0.01 0.00 1.06 0.00 0.00 176.91 178.97 1q8l h ALA 4 N 0.25 1.01 -3.00 6.32 0.00 -2.04 -3.44 119.26 118.35 1q8l h ALA 4 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1q8l h ALA 4 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1q8l h ALA 4 CO 0.08 0.01 0.00 0.94 0.00 0.00 0.00 179.25 180.28 1q8l n GLN 5 N -3.11 0.00 0.00 0.00 7.27 -1.22 -5.19 117.38 115.13 1q8l n GLN 5 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1q8l n GLN 5 Cb 0.24 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.89 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 -3.00 0.00 -1.00 1.69 0.00 -1.17 -4.93 120.51 112.10 1q8l n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q8l n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.20 0.14 0.00 0.00 -1.26 -4.16 105.19 100.11 1q8l n GLY 7 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1q8l n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q8l n GLU 8 N 0.00 -0.28 -3.60 1.61 0.28 -1.26 -4.91 120.64 112.48 1q8l n GLU 8 Ca 0.00 0.19 -0.27 0.00 -0.16 0.00 0.00 57.16 56.92 1q8l n GLU 8 Cb 0.00 -0.34 -0.17 0.00 1.43 0.00 0.00 31.44 32.36 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 -1.12 -0.08 -1.02 3.84 -7.23 -0.16 -4.87 120.40 109.76 1q8l s VAL 9 Ca 0.00 -0.26 -0.04 0.00 -1.81 0.00 0.00 61.98 59.86 1q8l s VAL 9 Cb 0.00 -0.64 0.15 0.00 0.56 0.00 0.00 36.38 36.45 1q8l s VAL 9 CO 0.00 -0.35 2.37 1.33 -0.31 0.00 0.00 175.10 178.14 1q8l n VAL 10 N 5.27 4.80 -2.19 1.32 0.24 -1.26 -3.19 118.33 123.33 1q8l n VAL 10 Ca -0.07 -4.26 -0.32 0.00 -2.04 0.00 0.00 64.34 57.65 1q8l n VAL 10 Cb 0.48 -1.81 -0.01 0.00 -1.47 0.00 0.00 33.84 31.02 1q8l n VAL 10 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1q8l s LEU 11 N -2.64 3.48 -0.43 1.34 0.05 -1.26 -5.03 118.68 114.20 1q8l s LEU 11 Ca 0.53 1.55 0.04 0.00 0.05 0.00 0.00 54.13 56.29 1q8l s LEU 11 Cb 0.25 -4.50 0.12 0.00 -2.05 0.00 0.00 46.19 40.01 1q8l s LEU 11 CO -0.16 -0.74 0.16 -0.54 -0.55 0.00 0.00 176.35 174.52 1q8l s LYS 12 N -4.43 1.69 0.09 1.48 3.01 -1.26 -3.99 119.74 116.33 1q8l s LYS 12 Ca 0.58 -2.22 -0.27 0.00 -1.01 0.00 0.00 55.97 53.04 1q8l s LYS 12 Cb -0.11 -3.20 -0.06 0.00 -1.01 0.00 0.00 37.83 33.45 1q8l s LYS 12 CO 0.39 -1.03 0.86 -1.64 0.51 0.00 0.00 175.35 174.44 1q8l s MET 13 N 0.33 4.61 -0.56 1.68 -1.94 0.56 -2.82 119.30 121.16 1q8l s MET 13 Ca 0.14 1.26 0.01 0.00 -1.71 0.00 0.00 55.69 55.40 1q8l s MET 13 Cb -0.22 -3.36 0.14 0.00 2.01 0.00 0.00 34.83 33.40 1q8l s MET 13 CO -0.04 0.29 0.33 0.21 -0.01 0.00 0.00 175.02 175.79 1q8l s LYS 14 N -0.17 2.21 1.10 2.03 2.20 -1.26 -0.06 119.74 125.79 1q8l s LYS 14 Ca 0.42 -2.57 -0.16 0.00 -0.36 0.00 0.00 55.97 53.30 1q8l s LYS 14 Cb -0.22 -3.49 0.14 0.00 -1.51 0.00 0.00 37.83 32.75 1q8l s LYS 14 CO 0.27 -1.13 0.31 0.28 -0.36 0.00 0.00 175.35 174.71 1q8l n VAL 15 N 3.29 0.00 -4.84 4.02 0.31 -0.79 -1.04 118.33 119.29 1q8l n VAL 15 Ca 0.06 -0.31 -0.32 0.00 -0.01 0.00 0.00 64.34 63.76 1q8l n VAL 15 Cb 0.35 -0.70 -0.17 0.00 -0.91 0.00 0.00 33.84 32.41 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 -3.71 2.95 0.00 5.55 2.12 0.11 -4.46 118.70 121.26 1q8l s GLU 16 Ca 0.59 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1q8l s GLU 16 Cb -0.16 -2.34 0.00 0.00 0.26 0.00 0.00 34.13 31.89 1q8l s GLU 16 CO 0.66 0.05 0.38 0.41 -0.54 0.00 0.00 175.26 176.21 1q8l n GLY 17 N 3.89 1.05 2.19 -1.50 0.00 -1.26 -4.29 105.19 105.28 1q8l n GLY 17 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 0.21 -1.38 -1.60 1.61 1.56 -1.25 -2.91 117.12 113.36 1q8l n MET 18 Ca 0.00 0.83 -0.01 0.00 -0.27 0.00 0.00 57.70 58.25 1q8l n MET 18 Cb 0.19 -5.08 -0.00 0.00 2.15 0.00 0.00 33.22 30.48 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 -1.93 -0.03 0.00 1.12 5.66 -1.26 -4.73 114.28 113.11 1q8l n THR 19 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1q8l n THR 19 Cb 0.48 -0.17 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 1q8l n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q8l n HIS 21 N 0.00 -3.95 -3.45 0.00 -0.00 -1.26 -4.93 115.22 101.63 1q8l n HIS 21 Ca 0.00 2.19 -0.28 0.00 -0.00 0.00 0.00 57.72 59.62 1q8l n HIS 21 Cb 0.00 -3.60 -0.11 0.00 -0.00 0.00 0.00 29.99 26.28 1q8l n HIS 21 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1q8l s SER 22 N -7.33 2.46 0.00 0.26 1.04 -1.26 -4.59 113.70 104.27 1q8l s SER 22 Ca 0.00 -2.52 0.00 0.00 0.48 0.00 0.00 55.95 53.91 1q8l s SER 22 Cb 0.00 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1q8l s SER 22 CO 0.00 -0.26 0.89 0.00 0.98 0.00 0.00 173.24 174.85 1q8l n THR 24 N -0.48 1.74 -0.04 0.00 -2.24 -1.26 -2.61 114.28 109.39 1q8l n THR 24 Ca 0.00 0.44 0.13 0.00 -2.27 0.00 0.00 64.05 62.35 1q8l n THR 24 Cb 0.01 -1.44 0.55 0.00 -2.10 0.00 0.00 70.33 67.35 1q8l n THR 24 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1q8l h SER 25 N 0.00 0.26 -0.44 3.42 4.64 -2.04 -0.48 113.55 118.92 1q8l h SER 25 Ca 0.00 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1q8l h SER 25 Cb 0.01 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1q8l h SER 25 CO 0.00 0.16 -0.27 0.71 -0.87 0.00 0.00 176.83 176.56 1q8l h THR 26 N 0.29 1.27 -0.76 2.95 1.35 -1.87 -3.01 112.91 113.12 1q8l h THR 26 Ca 0.25 -1.44 0.21 0.00 -0.55 0.00 0.00 66.41 64.89 1q8l h THR 26 Cb 0.61 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 1q8l h THR 26 CO -0.06 0.49 0.54 0.40 -0.25 0.00 0.00 175.52 176.65 1q8l h ILE 27 N 0.82 0.64 0.00 6.82 2.04 -1.29 -1.06 117.51 125.48 1q8l h ILE 27 Ca 0.09 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1q8l h ILE 27 Cb 0.85 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1q8l h ILE 27 CO 0.08 0.01 0.00 1.21 0.00 0.00 0.00 178.15 179.45 1q8l n GLU 28 N -4.34 0.00 0.07 2.37 2.13 -1.14 -1.27 120.64 118.46 1q8l n GLU 28 Ca 0.15 0.52 0.11 0.00 0.66 0.00 0.00 57.16 58.60 1q8l n GLU 28 Cb 0.79 -1.38 0.45 0.00 0.27 0.00 0.00 31.44 31.57 1q8l n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1q8l n GLY 29 N -0.91 -1.33 0.08 8.31 0.00 -1.13 -2.19 105.19 108.02 1q8l n GLY 29 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.06 0.00 1.61 3.64 -1.11 -3.13 116.57 117.52 1q8l h LYS 30 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1q8l h LYS 30 Cb 0.43 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1q8l h LYS 30 CO 0.00 0.51 -0.54 0.82 -2.27 0.00 0.00 179.45 177.97 1q8l h ILE 31 N -0.95 1.35 0.00 2.00 1.08 -1.23 -2.92 117.51 116.85 1q8l h ILE 31 Ca -0.01 -1.87 0.00 0.00 -0.39 0.00 0.00 64.86 62.60 1q8l h ILE 31 Cb 0.59 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1q8l h ILE 31 CO 0.01 0.53 0.00 0.61 -0.69 0.00 0.00 178.15 178.61 1q8l n GLY 32 N 0.07 -1.52 0.78 5.37 0.00 -0.93 -2.84 105.19 106.13 1q8l n GLY 32 Ca -0.01 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.25 2.06 -2.30 1.61 4.81 -1.10 -4.95 118.16 116.04 1q8l n LYS 33 Ca 0.04 -1.56 -0.42 0.00 -0.87 0.00 0.00 58.31 55.50 1q8l n LYS 33 Cb 0.34 -1.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.90 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 -1.89 4.31 0.25 3.14 1.43 -1.13 -5.01 118.68 119.77 1q8l s LEU 34 Ca 0.33 2.02 -0.22 0.00 -1.03 0.00 0.00 54.13 55.23 1q8l s LEU 34 Cb 0.20 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 1q8l s LEU 34 CO 0.31 -0.67 0.79 -1.10 0.23 0.00 0.00 176.35 175.92 1q8l s GLN 35 N 2.29 4.36 0.00 1.70 -0.21 -1.26 -3.75 119.66 122.79 1q8l s GLN 35 Ca 0.61 1.01 0.00 0.00 0.02 0.00 0.00 55.36 57.00 1q8l s GLN 35 Cb -0.29 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 30.87 1q8l s GLN 35 CO 0.25 0.36 0.00 0.41 -2.12 0.00 0.00 175.29 174.19 1q8l n GLY 36 N 0.67 0.52 3.87 3.09 0.00 -1.26 -4.64 105.19 107.43 1q8l n GLY 36 Ca -0.01 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 5.12 0.00 1.61 1.01 -1.25 -1.62 120.40 123.27 1q8l s VAL 37 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1q8l s VAL 37 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 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 0.81 0.00 -3.22 2.72 1.13 0.21 -4.90 117.38 114.14 1q8l n GLN 38 Ca -0.07 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.79 1q8l n GLN 38 Cb 0.52 -0.06 0.00 0.00 0.11 0.00 0.00 30.24 30.81 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 0.00 3.00 -0.26 -1.09 6.06 -0.57 -4.93 118.95 121.15 1q8l s ARG 39 Ca 0.00 -0.97 -0.01 0.00 -2.50 0.00 0.00 55.73 52.25 1q8l s ARG 39 Cb 0.00 -2.74 0.15 0.00 0.06 0.00 0.00 34.95 32.42 1q8l s ARG 39 CO 0.00 -0.13 0.41 -1.50 -2.50 0.00 0.00 175.30 171.59 1q8l s ILE 40 N -2.32 -0.66 -0.23 4.11 2.07 -1.26 -1.25 121.20 121.66 1q8l s ILE 40 Ca 0.49 -0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.57 1q8l s ILE 40 Cb -0.10 -0.88 0.11 0.00 0.13 0.00 0.00 42.46 41.72 1q8l s ILE 40 CO 0.33 -0.15 0.29 -1.59 -1.91 0.00 0.00 174.94 171.91 1q8l s LYS 41 N 2.58 0.27 -0.07 3.50 -2.85 -1.21 -4.98 119.74 116.97 1q8l s LYS 41 Ca 0.13 0.27 -0.10 0.00 -1.00 0.00 0.00 55.97 55.26 1q8l s LYS 41 Cb -0.14 -0.86 -0.05 0.00 -2.06 0.00 0.00 37.83 34.72 1q8l s LYS 41 CO -0.21 -0.71 0.25 0.08 0.10 0.00 0.00 175.35 174.87 1q8l s VAL 42 N 2.41 5.31 0.44 1.79 1.01 -1.26 -1.07 120.40 129.03 1q8l s VAL 42 Ca 0.09 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.63 1q8l s VAL 42 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1q8l s VAL 42 CO -0.17 0.60 0.58 -0.55 0.00 0.00 0.00 175.10 175.56 1q8l s SER 43 N -1.00 5.54 0.00 3.32 0.15 -0.50 -4.95 113.70 116.26 1q8l s SER 43 Ca 0.19 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1q8l s SER 43 Cb -0.14 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1q8l s SER 43 CO 0.08 -0.82 0.00 0.18 1.20 0.00 0.00 173.24 173.88 1q8l n LEU 44 N -1.87 0.00 0.00 3.45 4.32 -1.26 -3.04 117.00 118.59 1q8l n LEU 44 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1q8l n LEU 44 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1q8l n LEU 44 CO 0.39 0.00 0.00 -0.90 -1.22 0.00 0.00 177.39 175.66 1q8l n ASP 45 N 0.00 0.00 -3.27 -1.43 5.68 -1.26 0.51 116.55 116.78 1q8l n ASP 45 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.91 1q8l n ASP 45 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1q8l n ASN 46 N 0.00 7.51 -3.79 -1.12 4.13 -1.26 -4.79 115.26 115.95 1q8l n ASN 46 Ca 0.00 -3.37 -0.25 0.00 1.68 0.00 0.00 54.58 52.64 1q8l n ASN 46 Cb 0.00 -1.26 0.00 0.00 -1.54 0.00 0.00 39.78 36.99 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 0.86 -1.45 -2.53 3.52 7.27 0.18 -1.88 117.38 123.36 1q8l n GLN 47 Ca 0.55 0.73 -0.40 0.00 0.07 0.00 0.00 57.00 57.95 1q8l n GLN 47 Cb 0.31 -2.43 -0.03 0.00 2.41 0.00 0.00 30.24 30.50 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 -5.05 3.49 0.09 3.69 2.12 -1.17 -2.61 118.70 119.25 1q8l s GLU 48 Ca 0.04 -0.99 -0.31 0.00 0.36 0.00 0.00 54.97 54.07 1q8l s GLU 48 Cb -0.02 -5.24 -0.07 0.00 0.26 0.00 0.00 34.13 29.06 1q8l s GLU 48 CO 0.90 -2.28 1.34 0.00 -0.54 0.00 0.00 175.26 174.68 1q8l s ALA 49 N 5.36 3.53 -0.52 6.30 0.00 0.91 -1.41 121.76 135.94 1q8l s ALA 49 Ca 0.47 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.51 1q8l s ALA 49 Cb -0.01 -3.52 0.26 0.00 0.00 0.00 0.00 23.12 19.85 1q8l s ALA 49 CO -0.07 -0.60 0.66 2.41 0.00 0.00 0.00 175.76 178.16 1q8l n THR 50 N 4.03 0.97 -2.79 0.00 -1.04 -0.23 -0.32 114.28 114.90 1q8l n THR 50 Ca 0.11 -4.69 -0.42 0.00 -2.04 0.00 0.00 64.05 57.01 1q8l n THR 50 Cb 0.44 -1.93 -0.03 0.00 -1.82 0.00 0.00 70.33 66.98 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 -2.01 4.86 -0.15 12.58 1.09 -1.26 -3.32 121.20 133.00 1q8l s ILE 51 Ca 0.38 1.88 -0.11 0.00 -1.10 0.00 0.00 60.65 61.70 1q8l s ILE 51 Cb 0.17 -4.24 -0.05 0.00 -1.06 0.00 0.00 42.46 37.29 1q8l s ILE 51 CO -0.06 0.08 0.20 -0.69 -0.10 0.00 0.00 174.94 174.37 1q8l s VAL 52 N 1.61 5.38 0.28 2.92 1.01 -0.38 -4.35 120.40 126.86 1q8l s VAL 52 Ca 0.46 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.64 1q8l s VAL 52 Cb -0.19 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1q8l s VAL 52 CO 0.19 0.49 0.56 -0.72 0.00 0.00 0.00 175.10 175.62 1q8l s TYR 53 N -0.10 0.29 -0.37 5.22 1.13 -1.19 -0.62 117.35 121.71 1q8l s TYR 53 Ca 0.13 -0.69 -0.20 0.00 -1.41 0.00 0.00 57.07 54.90 1q8l s TYR 53 Cb -0.12 0.34 0.01 0.00 -1.10 0.00 0.00 41.96 41.08 1q8l s TYR 53 CO 0.02 -1.12 0.63 -0.65 -2.51 0.00 0.00 175.55 171.92 1q8l s GLN 54 N -3.73 3.62 0.06 -3.49 -0.21 -0.64 -0.99 119.66 114.28 1q8l s GLN 54 Ca 0.20 -0.01 -0.24 0.00 0.02 0.00 0.00 55.36 55.32 1q8l s GLN 54 Cb -0.02 -3.83 -0.17 0.00 1.00 0.00 0.00 33.01 29.99 1q8l s GLN 54 CO 0.10 -0.77 1.60 -1.00 -2.12 0.00 0.00 175.29 173.10 1q8l h PRO 55 N 8.52 -0.08 0.00 2.91 0.13 -1.88 0.40 132.00 141.99 1q8l h PRO 55 Ca -0.26 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1q8l h PRO 55 Cb 1.11 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1q8l h PRO 55 CO 0.84 0.06 -0.00 1.12 -0.23 0.00 0.00 178.00 179.79 1q8l h HIS 56 N -0.21 0.00 0.10 1.56 2.07 -1.97 -2.60 115.15 114.09 1q8l h HIS 56 Ca -0.01 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.18 1q8l h HIS 56 Cb 0.18 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.14 1q8l h HIS 56 CO -0.03 0.00 -1.78 1.25 -3.07 0.00 0.00 177.93 174.30 1q8l h LEU 57 N 0.00 0.33 -7.21 6.12 5.85 -1.81 -3.49 115.31 115.10 1q8l h LEU 57 Ca -0.00 -0.61 0.06 0.00 0.84 0.00 0.00 57.88 58.17 1q8l h LEU 57 Cb 0.00 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 40.81 1q8l h LEU 57 CO 0.00 1.53 0.34 -0.51 -0.34 0.00 0.00 178.44 179.47 1q8l s ILE 58 N -2.59 0.00 -0.24 4.05 2.07 0.09 -4.88 121.20 119.70 1q8l s ILE 58 Ca -0.14 -0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 58.88 1q8l s ILE 58 Cb 0.07 -1.25 0.07 0.00 0.13 0.00 0.00 42.46 41.48 1q8l s ILE 58 CO 0.81 0.00 0.04 -0.44 -1.91 0.00 0.00 174.94 173.44 1q8l s SER 59 N -2.70 3.47 0.29 4.50 0.01 -1.26 -3.71 113.70 114.29 1q8l s SER 59 Ca 0.05 -1.17 0.26 0.00 1.31 0.00 0.00 55.95 56.40 1q8l s SER 59 Cb -0.02 -0.80 0.84 0.00 0.21 0.00 0.00 66.02 66.26 1q8l s SER 59 CO -0.07 -0.33 1.75 0.58 0.41 0.00 0.00 173.24 175.58 1q8l h VAL 60 N 6.54 0.00 -0.14 3.43 2.07 -1.95 -2.99 116.25 123.21 1q8l h VAL 60 Ca -0.16 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 1q8l h VAL 60 Cb 1.07 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1q8l h VAL 60 CO 0.40 0.00 -0.33 -0.08 0.02 0.00 0.00 177.57 177.58 1q8l h GLU 61 N 0.00 0.28 -0.15 1.57 4.81 -1.98 0.20 114.58 119.32 1q8l h GLU 61 Ca 0.00 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 1q8l h GLU 61 Cb 0.65 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1q8l h GLU 61 CO 0.00 0.58 -0.24 1.49 -0.73 0.00 0.00 179.01 180.11 1q8l h GLU 62 N 0.25 0.42 -0.26 1.92 4.22 -1.96 -1.13 114.58 118.04 1q8l h GLU 62 Ca 0.03 -0.26 0.03 0.00 0.08 0.00 0.00 59.36 59.24 1q8l h GLU 62 Cb 0.70 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1q8l h GLU 62 CO 0.05 0.85 0.17 1.98 -2.18 0.00 0.00 179.01 179.89 1q8l h MET 63 N 0.04 0.21 0.00 1.92 4.05 -1.44 0.26 114.93 119.97 1q8l h MET 63 Ca 0.01 -0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.24 1q8l h MET 63 Cb 0.82 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 1q8l h MET 63 CO 0.06 0.14 -0.82 -0.22 0.23 0.00 0.00 176.91 176.29 1q8l h LYS 64 N 0.22 0.06 -0.16 0.39 1.63 -0.24 -3.13 116.57 115.34 1q8l h LYS 64 Ca 0.11 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1q8l h LYS 64 Cb 0.16 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1q8l h LYS 64 CO -0.02 0.85 0.11 -0.22 -3.45 0.00 0.00 179.45 176.72 1q8l h LYS 65 N 0.03 0.21 -0.30 1.90 1.63 0.34 0.11 116.57 120.49 1q8l h LYS 65 Ca -0.02 -0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.61 1q8l h LYS 65 Cb 1.44 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.02 1q8l h LYS 65 CO 0.11 0.14 -0.43 1.96 -3.45 0.00 0.00 179.45 177.78 1q8l h GLN 66 N 0.21 0.76 -0.01 1.90 4.20 -1.48 0.22 115.11 120.92 1q8l h GLN 66 Ca 0.06 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.28 1q8l h GLN 66 Cb -0.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1q8l h GLN 66 CO -0.01 1.04 -0.34 0.82 -0.67 0.00 0.00 178.83 179.67 1q8l h ILE 67 N 0.62 1.25 0.00 2.54 2.04 -1.13 -1.27 117.51 121.55 1q8l h ILE 67 Ca 0.04 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 1q8l h ILE 67 Cb 0.99 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1q8l h ILE 67 CO 0.09 0.34 -0.49 -0.33 0.00 0.00 0.00 178.15 177.77 1q8l h GLU 68 N 0.02 0.00 0.11 2.37 5.08 -0.55 -0.68 114.58 120.93 1q8l h GLU 68 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1q8l h GLU 68 Cb 0.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1q8l h GLU 68 CO 0.04 0.18 -1.21 0.00 -1.00 0.00 0.00 179.01 177.03 1q8l h ALA 69 N 1.79 0.09 0.00 3.43 0.00 0.38 -3.15 119.26 121.79 1q8l h ALA 69 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1q8l h ALA 69 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 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 0.16 0.00 0.00 0.00 -0.57 -4.85 117.12 108.17 1q8l n MET 70 Ca -0.11 0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.92 1q8l n MET 70 Cb 0.98 -1.77 0.00 0.00 0.00 0.00 0.00 33.22 32.42 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 0.35 0.42 2.52 3.17 0.00 -1.19 -5.08 105.19 105.38 1q8l n GLY 71 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 3.55 -1.58 1.61 3.01 -0.27 -3.88 117.46 119.91 1q8l n PHE 72 Ca 0.00 -4.09 -0.52 0.00 1.01 0.00 0.00 57.45 53.85 1q8l n PHE 72 Cb 0.00 -0.62 -0.06 0.00 -0.01 0.00 0.00 39.48 38.79 1q8l n PHE 72 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1q8l n PRO 73 N 1.01 1.07 -4.15 -1.08 -0.02 -1.26 -3.59 135.00 126.98 1q8l n PRO 73 Ca 0.29 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 1q8l n PRO 73 Cb 0.40 -2.00 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.37 2.76 -1.70 3.55 0.00 -1.26 0.06 121.76 125.54 1q8l s ALA 74 Ca 0.83 -1.08 0.10 0.00 0.00 0.00 0.00 51.96 51.82 1q8l s ALA 74 Cb -0.96 -1.55 0.55 0.00 0.00 0.00 0.00 23.12 21.16 1q8l s ALA 74 CO 0.48 -0.22 1.13 1.19 0.00 0.00 0.00 175.76 178.34 1q8l n PHE 75 N 4.40 0.00 -1.45 0.00 3.72 -0.21 -4.79 117.46 119.12 1q8l n PHE 75 Ca -0.18 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.41 1q8l n PHE 75 Cb 0.51 -0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 1q8l n PHE 75 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1q8l n VAL 76 N -1.15 0.00 0.00 -4.37 0.31 -1.26 -4.52 118.33 107.34 1q8l n VAL 76 Ca 0.06 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1q8l n VAL 76 Cb 0.06 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1q8l n VAL 76 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1q8l n LYS 77 N -4.28 0.00 -0.90 5.55 0.00 -1.13 -4.05 118.16 113.36 1q8l n LYS 77 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.99 1q8l n LYS 77 Cb 0.68 -0.12 0.14 0.00 -0.00 0.00 0.00 35.03 35.73 1q8l n LYS 77 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1q8l s LYS 78 N 0.00 1.45 0.05 -1.58 1.02 -1.26 -4.89 119.74 114.53 1q8l s LYS 78 Ca 0.00 1.40 -0.31 0.00 0.02 0.00 0.00 55.97 57.08 1q8l s LYS 78 Cb 0.00 -1.79 -0.10 0.00 -0.52 0.00 0.00 37.83 35.42 1q8l s LYS 78 CO 0.00 -2.28 1.93 0.94 -0.92 0.00 0.00 175.35 175.02 1q8l n GLN 79 N -3.98 2.79 -1.70 1.68 7.27 -1.26 -4.88 117.38 117.30 1q8l n GLN 79 Ca 0.11 1.02 -0.43 0.00 0.07 0.00 0.00 57.00 57.77 1q8l n GLN 79 Cb 0.52 -2.95 -0.03 0.00 2.41 0.00 0.00 30.24 30.20 1q8l n GLN 79 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1q8l s PRO 80 N 3.93 3.40 0.00 3.69 0.04 -1.26 -4.84 135.00 139.96 1q8l s PRO 80 Ca 0.87 2.06 0.10 0.00 0.04 0.00 0.00 61.00 64.07 1q8l s PRO 80 Cb -0.47 -4.29 0.49 0.00 0.04 0.00 0.00 34.50 30.27 1q8l s PRO 80 CO 0.42 -1.79 1.26 0.36 0.04 0.00 0.00 177.00 177.29 1q8l n LYS 81 N 8.40 0.09 -1.76 4.56 2.85 -1.26 -4.80 118.16 126.24 1q8l n LYS 81 Ca 0.26 0.24 -0.41 0.00 -1.05 0.00 0.00 58.31 57.35 1q8l n LYS 81 Cb 0.44 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.32 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 -1.37 2.94 0.00 5.58 9.36 -1.26 -4.74 117.16 127.67 1q8l n TYR 82 Ca 0.04 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1q8l n TYR 82 Cb 0.10 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.26 1q8l n TYR 82 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1q8l n LEU 83 N 0.92 0.00 -0.31 2.98 -0.00 -1.26 -5.25 117.00 114.08 1q8l n LEU 83 Ca 0.03 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.19 1q8l n LEU 83 Cb 0.38 0.00 0.68 0.00 -0.00 0.00 0.00 43.42 44.48 1q8l n LEU 83 CO 0.64 0.00 0.96 1.17 -0.00 0.00 0.00 177.39 180.16