#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 -0.77 -1.52 1.61 2.88 -1.26 -5.03 113.62 109.53 1q8l n SER 2 Ca 0.00 0.17 -0.15 0.00 -1.33 0.00 0.00 58.87 57.56 1q8l n SER 2 Cb 0.00 1.08 -0.06 0.00 -0.75 0.00 0.00 64.21 64.48 1q8l n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1q8l n MET 3 N -2.69 -1.39 -0.33 -1.46 0.00 -1.26 -4.83 117.12 105.16 1q8l n MET 3 Ca 0.00 0.90 -0.02 0.00 0.00 0.00 0.00 57.70 58.58 1q8l n MET 3 Cb 0.00 -5.21 0.11 0.00 0.00 0.00 0.00 33.22 28.11 1q8l n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1q8l h ALA 4 N 0.57 1.17 -2.58 3.04 0.00 -2.07 -3.41 119.26 115.97 1q8l h ALA 4 Ca -0.32 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 1q8l h ALA 4 Cb 1.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1q8l h ALA 4 CO 0.46 0.49 0.42 -1.14 0.00 0.00 0.00 179.25 179.48 1q8l s GLN 5 N -6.11 4.63 0.54 0.00 2.00 -1.26 -5.02 119.66 114.44 1q8l s GLN 5 Ca -0.13 1.57 -0.19 0.00 -2.00 0.00 0.00 55.36 54.61 1q8l s GLN 5 Cb 0.17 -3.35 -0.06 0.00 0.80 0.00 0.00 33.01 30.58 1q8l s GLN 5 CO 0.80 0.11 1.08 0.00 -0.50 0.00 0.00 175.29 176.78 1q8l s ALA 6 N 0.08 2.74 0.00 1.58 0.00 -1.26 -5.04 121.76 119.86 1q8l s ALA 6 Ca 0.49 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1q8l s ALA 6 Cb -0.26 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1q8l s ALA 6 CO 0.31 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1q8l n GLY 7 N -0.28 3.28 3.29 0.00 0.00 -1.26 -5.19 105.19 105.03 1q8l n GLY 7 Ca 0.10 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.65 1.72 0.05 1.61 -1.05 -1.26 -4.47 118.70 114.65 1q8l s GLU 8 Ca 0.00 -2.00 0.05 0.00 -0.15 0.00 0.00 54.97 52.87 1q8l s GLU 8 Cb 0.00 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1q8l s GLU 8 CO 0.00 -0.61 -0.15 0.14 0.95 0.00 0.00 175.26 175.59 1q8l s VAL 9 N -3.49 1.15 -0.33 1.83 -7.23 -0.40 -4.93 120.40 107.00 1q8l s VAL 9 Ca 0.39 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 1q8l s VAL 9 Cb 0.03 -1.05 0.10 0.00 0.56 0.00 0.00 36.38 36.02 1q8l s VAL 9 CO 0.25 -0.03 0.09 0.68 -0.31 0.00 0.00 175.10 175.79 1q8l s VAL 10 N -0.93 1.28 -0.26 1.32 -7.23 -1.26 -2.47 120.40 110.86 1q8l s VAL 10 Ca 0.01 -1.72 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 1q8l s VAL 10 Cb -0.08 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 1q8l s VAL 10 CO 0.01 -0.67 0.10 -0.76 -0.31 0.00 0.00 175.10 173.47 1q8l s LEU 11 N 1.36 3.57 -0.83 1.32 1.02 -1.24 -5.03 118.68 118.84 1q8l s LEU 11 Ca 0.11 -0.16 -0.14 0.00 0.02 0.00 0.00 54.13 53.95 1q8l s LEU 11 Cb -0.18 -1.97 0.22 0.00 0.02 0.00 0.00 46.19 44.28 1q8l s LEU 11 CO -0.19 -0.04 0.77 -0.54 0.02 0.00 0.00 176.35 176.37 1q8l s LYS 12 N 1.63 3.61 0.19 1.70 3.01 -1.26 -3.61 119.74 125.00 1q8l s LYS 12 Ca 0.06 -2.46 -0.27 0.00 -1.01 0.00 0.00 55.97 52.30 1q8l s LYS 12 Cb -0.15 -4.44 -0.08 0.00 -1.01 0.00 0.00 37.83 32.15 1q8l s LYS 12 CO 0.05 -1.30 0.84 -1.64 0.51 0.00 0.00 175.35 173.81 1q8l s MET 13 N 0.19 4.67 -0.53 1.68 -1.94 -0.03 -4.39 119.30 118.95 1q8l s MET 13 Ca 0.18 1.27 -0.06 0.00 -1.71 0.00 0.00 55.69 55.37 1q8l s MET 13 Cb -0.10 -3.27 0.14 0.00 2.01 0.00 0.00 34.83 33.60 1q8l s MET 13 CO -0.09 0.53 0.38 0.21 -0.01 0.00 0.00 175.02 176.04 1q8l s LYS 14 N -1.09 2.49 0.90 2.03 2.20 -0.96 -0.51 119.74 124.79 1q8l s LYS 14 Ca 0.38 -2.07 -0.10 0.00 -0.36 0.00 0.00 55.97 53.81 1q8l s LYS 14 Cb -0.24 -3.83 0.14 0.00 -1.51 0.00 0.00 37.83 32.38 1q8l s LYS 14 CO 0.28 -1.17 1.15 0.08 -0.36 0.00 0.00 175.35 175.33 1q8l s VAL 15 N 0.78 2.13 -0.48 4.02 1.01 -0.75 -0.59 120.40 126.51 1q8l s VAL 15 Ca 0.11 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.86 1q8l s VAL 15 Cb -0.22 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1q8l s VAL 15 CO -0.03 -0.05 1.04 -0.70 0.00 0.00 0.00 175.10 175.35 1q8l s GLU 16 N -4.62 3.61 0.00 2.72 2.12 0.61 -4.53 118.70 118.62 1q8l s GLU 16 Ca 0.67 0.33 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1q8l s GLU 16 Cb -0.23 -3.93 0.01 0.00 0.26 0.00 0.00 34.13 30.24 1q8l s GLU 16 CO 0.57 -1.33 0.90 0.41 -0.54 0.00 0.00 175.26 175.27 1q8l n GLY 17 N 4.91 -0.40 7.00 -1.50 0.00 -1.26 -4.81 105.19 109.13 1q8l n GLY 17 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.39 0.00 0.00 1.61 1.56 -1.26 -4.70 117.12 112.94 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 0.00 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 0.07 1.12 5.66 -1.26 -5.01 114.28 114.87 1q8l n THR 19 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1q8l n THR 19 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 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 -2.40 -0.68 -0.55 0.00 3.76 -1.26 -5.12 115.29 109.04 1q8l s HIS 21 Ca -0.04 1.33 -0.18 0.00 -0.15 0.00 0.00 55.06 56.03 1q8l s HIS 21 Cb 0.00 0.19 0.10 0.00 1.11 0.00 0.00 32.58 33.98 1q8l s HIS 21 CO 0.12 -0.45 0.61 -1.54 -0.85 0.00 0.00 174.74 172.63 1q8l s SER 22 N 2.55 6.19 -0.15 1.40 1.04 -1.26 -4.92 113.70 118.54 1q8l s SER 22 Ca -0.00 -1.42 -0.00 0.00 0.48 0.00 0.00 55.95 55.00 1q8l s SER 22 Cb -0.12 -2.26 0.13 0.00 0.10 0.00 0.00 66.02 63.87 1q8l s SER 22 CO -0.11 -0.96 1.77 0.00 0.98 0.00 0.00 173.24 174.91 1q8l n THR 24 N 0.62 0.05 0.12 0.00 -2.24 -1.26 -2.81 114.28 108.77 1q8l n THR 24 Ca 0.16 0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.96 1q8l n THR 24 Cb 0.62 -0.77 0.34 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.20 -0.51 3.42 0.02 -2.03 -2.41 113.55 112.23 1q8l h SER 25 Ca 0.00 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1q8l h SER 25 Cb 0.01 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1q8l h SER 25 CO 0.00 0.45 0.10 0.71 -1.14 0.00 0.00 176.83 176.95 1q8l h THR 26 N 0.19 1.24 -0.77 -2.27 1.35 -1.92 -2.72 112.91 108.00 1q8l h THR 26 Ca 0.03 -0.91 0.18 0.00 -0.55 0.00 0.00 66.41 65.16 1q8l h THR 26 Cb 0.53 0.70 -0.05 0.00 -1.73 0.00 0.00 68.15 67.61 1q8l h THR 26 CO 0.04 0.34 0.53 0.40 -0.25 0.00 0.00 175.52 176.57 1q8l h ILE 27 N 0.85 0.71 0.00 6.82 2.04 -1.64 0.08 117.51 126.37 1q8l h ILE 27 Ca 0.18 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1q8l h ILE 27 Cb 0.36 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1q8l h ILE 27 CO 0.01 0.05 0.00 1.21 0.00 0.00 0.00 178.15 179.41 1q8l n GLU 28 N -4.43 0.00 0.07 2.37 0.00 -1.03 -1.23 120.64 116.39 1q8l n GLU 28 Ca 0.15 0.48 0.09 0.00 0.00 0.00 0.00 57.16 57.89 1q8l n GLU 28 Cb 0.66 -1.48 0.40 0.00 0.00 0.00 0.00 31.44 31.02 1q8l n GLU 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q8l n GLY 29 N -0.98 -1.12 0.06 8.31 0.00 -1.13 -0.90 105.19 109.43 1q8l n GLY 29 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 3.64 -0.95 -3.22 116.57 117.65 1q8l h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1q8l h LYS 30 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1q8l h LYS 30 CO 0.00 0.05 -0.00 -0.89 -2.27 0.00 0.00 179.45 176.34 1q8l n ILE 31 N -4.73 0.00 0.22 2.00 2.08 -0.37 -3.40 119.36 115.17 1q8l n ILE 31 Ca -0.03 -0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.37 1q8l n ILE 31 Cb 0.10 -0.50 -0.13 0.00 -0.75 0.00 0.00 39.64 38.36 1q8l n ILE 31 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1q8l n GLY 32 N 1.13 -0.82 1.07 7.39 0.00 -0.07 -4.38 105.19 109.51 1q8l n GLY 32 Ca 0.20 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.96 2.37 -2.91 1.61 4.81 -1.21 -4.96 118.16 115.90 1q8l n LYS 33 Ca -0.02 -2.10 -0.39 0.00 -0.87 0.00 0.00 58.31 54.93 1q8l n LYS 33 Cb 0.43 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 33.94 1q8l n LYS 33 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1q8l s LEU 34 N -1.26 4.58 0.54 3.14 0.05 -1.26 -5.06 118.68 119.40 1q8l s LEU 34 Ca 0.39 1.74 -0.06 0.00 0.05 0.00 0.00 54.13 56.25 1q8l s LEU 34 Cb 0.21 -3.45 -0.02 0.00 -2.05 0.00 0.00 46.19 40.89 1q8l s LEU 34 CO 0.29 0.17 0.86 -1.10 -0.55 0.00 0.00 176.35 176.02 1q8l s GLN 35 N -1.26 3.35 0.00 1.48 1.11 -1.26 -4.09 119.66 118.99 1q8l s GLN 35 Ca 0.39 0.21 0.00 0.00 0.01 0.00 0.00 55.36 55.97 1q8l s GLN 35 Cb -0.23 -2.30 0.00 0.00 -1.01 0.00 0.00 33.01 29.47 1q8l s GLN 35 CO 0.28 -0.41 0.00 0.41 0.01 0.00 0.00 175.29 175.57 1q8l n GLY 36 N -2.43 0.49 3.58 3.09 0.00 -1.26 -4.77 105.19 103.89 1q8l n GLY 36 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.07 3.51 0.00 1.61 1.01 -1.26 -3.66 120.40 119.54 1q8l s VAL 37 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1q8l s VAL 37 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.83 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 1.33 0.00 -3.50 2.72 6.02 -0.36 -4.96 117.38 118.63 1q8l n GLN 38 Ca -0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.64 1q8l n GLN 38 Cb 0.52 -0.09 -0.01 0.00 1.02 0.00 0.00 30.24 31.69 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 3.23 -0.21 -1.09 6.06 -0.69 -4.95 118.95 121.29 1q8l s ARG 39 Ca 0.00 -0.78 -0.06 0.00 -2.50 0.00 0.00 55.73 52.40 1q8l s ARG 39 Cb 0.00 -2.77 0.10 0.00 0.06 0.00 0.00 34.95 32.34 1q8l s ARG 39 CO 0.00 0.11 0.41 -1.50 -2.50 0.00 0.00 175.30 171.82 1q8l s ILE 40 N -2.21 -0.64 -0.24 4.11 -1.16 -1.26 -1.31 121.20 118.48 1q8l s ILE 40 Ca 0.42 0.10 -0.04 0.00 -0.51 0.00 0.00 60.65 60.63 1q8l s ILE 40 Cb -0.09 -0.71 0.13 0.00 0.61 0.00 0.00 42.46 42.40 1q8l s ILE 40 CO 0.32 0.02 0.43 -1.59 -2.81 0.00 0.00 174.94 171.31 1q8l s LYS 41 N 2.60 0.39 0.19 3.50 -2.85 -0.90 -5.00 119.74 117.67 1q8l s LYS 41 Ca 0.03 0.77 -0.07 0.00 -1.00 0.00 0.00 55.97 55.70 1q8l s LYS 41 Cb -0.13 -0.07 -0.06 0.00 -2.06 0.00 0.00 37.83 35.51 1q8l s LYS 41 CO -0.14 -0.53 0.46 0.08 0.10 0.00 0.00 175.35 175.32 1q8l s VAL 42 N 2.63 5.06 -0.05 1.79 1.01 -1.26 -1.38 120.40 128.19 1q8l s VAL 42 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1q8l s VAL 42 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1q8l s VAL 42 CO -0.16 -0.04 -0.04 -0.55 0.00 0.00 0.00 175.10 174.31 1q8l s SER 43 N -2.49 4.90 0.64 3.32 0.15 -0.14 -4.91 113.70 115.17 1q8l s SER 43 Ca 0.44 0.01 0.35 0.00 0.70 0.00 0.00 55.95 57.45 1q8l s SER 43 Cb -0.12 -1.27 1.94 0.00 -1.71 0.00 0.00 66.02 64.86 1q8l s SER 43 CO 0.24 0.34 2.15 -0.07 1.20 0.00 0.00 173.24 177.10 1q8l h LEU 44 N 4.98 0.00 -8.26 3.45 -0.00 -1.94 0.17 115.31 113.70 1q8l h LEU 44 Ca -0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.32 1q8l h LEU 44 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1q8l h LEU 44 CO 0.54 0.00 0.18 -0.62 -0.00 0.00 0.00 178.44 178.54 1q8l s ASP 45 N -5.11 4.05 -1.55 -0.43 2.15 -1.26 -2.96 116.67 111.55 1q8l s ASP 45 Ca -0.04 -0.31 -0.14 0.00 0.43 0.00 0.00 52.55 52.48 1q8l s ASP 45 Cb 0.12 -2.56 0.09 0.00 -0.30 0.00 0.00 42.92 40.27 1q8l s ASP 45 CO 0.41 -3.83 0.96 0.59 -0.17 0.00 0.00 175.17 173.12 1q8l n ASN 46 N 17.96 -4.60 -4.12 -0.34 3.02 -1.26 -0.90 115.26 125.03 1q8l n ASN 46 Ca 0.45 -0.81 -0.29 0.00 -0.03 0.00 0.00 54.58 53.89 1q8l n ASN 46 Cb 0.44 -3.75 -0.04 0.00 -0.61 0.00 0.00 39.78 35.82 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 -4.65 -2.59 -2.16 3.52 -0.06 -1.05 -1.81 117.38 108.58 1q8l n GLN 47 Ca 0.04 0.31 -0.33 0.00 -2.00 0.00 0.00 57.00 55.03 1q8l n GLN 47 Cb 0.52 -4.41 -0.04 0.00 -4.06 0.00 0.00 30.24 22.25 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 -6.86 2.77 0.14 3.69 2.12 0.02 -3.43 118.70 117.16 1q8l s GLU 48 Ca 0.18 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 54.99 1q8l s GLU 48 Cb -0.10 -4.89 -0.09 0.00 0.26 0.00 0.00 34.13 29.31 1q8l s GLU 48 CO 0.93 -2.97 1.45 0.00 -0.54 0.00 0.00 175.26 174.13 1q8l s ALA 49 N 8.78 3.65 -0.40 6.30 0.00 0.33 -0.97 121.76 139.46 1q8l s ALA 49 Ca 0.63 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.82 1q8l s ALA 49 Cb -0.07 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.61 1q8l s ALA 49 CO 0.04 -0.67 0.20 0.99 0.00 0.00 0.00 175.76 176.31 1q8l s THR 50 N 1.01 1.13 -0.12 0.00 2.01 -0.48 -0.85 115.64 118.34 1q8l s THR 50 Ca 0.66 -2.16 -0.11 0.00 0.31 0.00 0.00 61.69 60.38 1q8l s THR 50 Cb -0.39 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 1q8l s THR 50 CO 0.32 -0.85 0.24 -0.63 -0.69 0.00 0.00 174.62 173.00 1q8l s ILE 51 N 0.76 5.34 -0.10 1.82 1.09 -1.24 -2.12 121.20 126.75 1q8l s ILE 51 Ca 0.16 0.43 -0.02 0.00 -1.10 0.00 0.00 60.65 60.12 1q8l s ILE 51 Cb -0.23 -3.54 -0.03 0.00 -1.06 0.00 0.00 42.46 37.60 1q8l s ILE 51 CO -0.06 0.52 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.59 1q8l s VAL 52 N -0.40 4.12 0.17 2.92 1.01 -0.42 -3.65 120.40 124.15 1q8l s VAL 52 Ca 0.16 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 1q8l s VAL 52 Cb -0.13 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.57 1q8l s VAL 52 CO 0.05 0.58 0.78 -0.72 0.00 0.00 0.00 175.10 175.79 1q8l s TYR 53 N -0.60 -0.28 -0.04 5.22 1.13 -1.03 -1.23 117.35 120.52 1q8l s TYR 53 Ca 0.10 -0.03 -0.22 0.00 -1.41 0.00 0.00 57.07 55.51 1q8l s TYR 53 Cb -0.12 0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 41.33 1q8l s TYR 53 CO 0.02 -0.93 0.63 1.14 -2.51 0.00 0.00 175.55 173.90 1q8l s GLN 54 N -3.59 4.38 -0.23 -3.49 0.00 -1.24 -1.27 119.66 114.22 1q8l s GLN 54 Ca 0.08 0.78 -0.00 0.00 -0.00 0.00 0.00 55.36 56.21 1q8l s GLN 54 Cb -0.03 -3.39 0.17 0.00 0.00 0.00 0.00 33.01 29.76 1q8l s GLN 54 CO -0.01 0.23 1.90 -0.35 0.00 0.00 0.00 175.29 177.06 1q8l n PRO 55 N 3.22 1.58 -0.42 9.60 -0.04 -1.26 -3.62 135.00 144.06 1q8l n PRO 55 Ca -0.05 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1q8l n PRO 55 Cb 0.51 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.51 0.00 -0.10 0.54 1.44 -1.26 -4.97 115.22 111.38 1q8l n HIS 56 Ca 0.22 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.79 1q8l n HIS 56 Cb 0.62 0.18 -0.06 0.00 0.12 0.00 0.00 29.99 30.85 1q8l n HIS 56 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1q8l n LEU 57 N 0.00 1.90 -3.60 2.39 7.99 -1.24 -5.08 117.00 119.35 1q8l n LEU 57 Ca 0.00 0.43 -0.07 0.00 -0.01 0.00 0.00 56.01 56.36 1q8l n LEU 57 Cb 0.53 -0.83 -0.02 0.00 -0.11 0.00 0.00 43.42 43.00 1q8l n LEU 57 CO 0.00 -0.05 0.67 -0.51 -1.51 0.00 0.00 177.39 175.99 1q8l s ILE 58 N -2.56 0.00 -0.42 -0.08 2.07 -1.26 -5.01 121.20 113.93 1q8l s ILE 58 Ca -0.28 -0.29 -0.29 0.00 -1.41 0.00 0.00 60.65 58.39 1q8l s ILE 58 Cb 0.06 -1.41 0.01 0.00 0.13 0.00 0.00 42.46 41.25 1q8l s ILE 58 CO 0.41 0.00 1.47 -0.94 -1.91 0.00 0.00 174.94 173.97 1q8l s SER 59 N -2.69 6.23 0.12 4.50 1.04 -1.26 -4.83 113.70 116.80 1q8l s SER 59 Ca 0.08 0.81 0.14 0.00 0.48 0.00 0.00 55.95 57.46 1q8l s SER 59 Cb -0.01 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.46 1q8l s SER 59 CO -0.05 -1.52 1.05 0.58 0.98 0.00 0.00 173.24 174.28 1q8l h VAL 60 N 6.51 0.85 0.00 5.02 2.07 -1.97 -3.23 116.25 125.50 1q8l h VAL 60 Ca -0.28 -2.40 -0.06 0.00 0.82 0.00 0.00 66.70 64.78 1q8l h VAL 60 Cb 1.11 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1q8l h VAL 60 CO 1.09 0.49 -0.27 -0.08 0.02 0.00 0.00 177.57 178.81 1q8l h GLU 61 N 0.00 0.00 -0.36 1.57 4.81 -1.99 -2.45 114.58 116.16 1q8l h GLU 61 Ca -0.11 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.98 1q8l h GLU 61 Cb 1.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 1q8l h GLU 61 CO 0.07 0.27 -0.31 1.49 -0.73 0.00 0.00 179.01 179.80 1q8l h GLU 62 N 0.00 0.80 -0.77 1.92 4.81 -1.96 -0.84 114.58 118.54 1q8l h GLU 62 Ca -0.00 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1q8l h GLU 62 Cb 0.82 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1q8l h GLU 62 CO 0.04 1.00 0.31 0.52 -0.73 0.00 0.00 179.01 180.15 1q8l h MET 63 N 0.67 1.14 0.00 1.92 2.86 -1.52 -1.38 114.93 118.63 1q8l h MET 63 Ca 0.07 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1q8l h MET 63 Cb 0.86 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1q8l h MET 63 CO 0.07 0.93 0.00 1.63 1.06 0.00 0.00 176.91 180.60 1q8l n LYS 64 N -4.31 0.05 0.12 1.72 5.02 -1.02 -2.88 118.16 116.86 1q8l n LYS 64 Ca 0.07 0.09 -0.02 0.00 -2.02 0.00 0.00 58.31 56.42 1q8l n LYS 64 Cb 0.18 -1.56 0.10 0.00 -0.02 0.00 0.00 35.03 33.73 1q8l n LYS 64 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1q8l h LYS 65 N 0.00 0.00 -0.05 1.97 3.64 0.01 -2.90 116.57 119.23 1q8l h LYS 65 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1q8l h LYS 65 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1q8l h LYS 65 CO 0.00 0.70 -0.07 1.96 -2.27 0.00 0.00 179.45 179.78 1q8l h GLN 66 N 0.00 0.08 -0.03 1.90 1.08 -1.42 0.01 115.11 116.73 1q8l h GLN 66 Ca -0.01 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1q8l h GLN 66 Cb 1.27 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 1q8l h GLN 66 CO 0.09 0.15 -0.28 0.82 -0.95 0.00 0.00 178.83 178.67 1q8l h ILE 67 N 0.08 1.21 0.00 2.54 2.04 -1.66 -1.56 117.51 120.16 1q8l h ILE 67 Ca 0.02 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 1q8l h ILE 67 Cb 0.18 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1q8l h ILE 67 CO 0.01 0.29 -0.54 -0.33 0.00 0.00 0.00 178.15 177.58 1q8l h GLU 68 N 0.04 0.00 -0.02 2.37 5.08 -0.91 0.60 114.58 121.74 1q8l h GLU 68 Ca 0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 1q8l h GLU 68 Cb 0.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1q8l h GLU 68 CO 0.04 0.38 -0.94 0.00 -1.00 0.00 0.00 179.01 177.48 1q8l h ALA 69 N 1.59 0.31 0.00 3.43 0.00 -0.44 -3.08 119.26 121.06 1q8l h ALA 69 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1q8l h ALA 69 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 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 -3.80 0.11 0.00 0.00 0.00 -0.70 -4.87 117.12 107.85 1q8l n MET 70 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1q8l n MET 70 Cb 0.83 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 32.39 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 0.63 0.74 3.07 3.17 0.00 -1.16 -5.08 105.19 106.56 1q8l n GLY 71 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.68 3.73 0.13 1.61 0.40 0.20 -4.98 117.98 117.40 1q8l s PHE 72 Ca 0.00 -3.02 -0.35 0.00 -0.60 0.00 0.00 56.93 52.96 1q8l s PHE 72 Cb 0.00 -3.14 -0.15 0.00 0.51 0.00 0.00 43.02 40.24 1q8l s PHE 72 CO 0.00 -0.73 1.48 -0.35 0.70 0.00 0.00 175.22 176.32 1q8l n PRO 73 N 2.52 1.75 -3.81 0.24 -0.04 -1.26 -2.96 135.00 131.45 1q8l n PRO 73 Ca 0.18 0.63 -0.37 0.00 -0.04 0.00 0.00 63.50 63.91 1q8l n PRO 73 Cb 0.37 -2.35 -0.13 0.00 -0.04 0.00 0.00 33.50 31.35 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 0.72 2.97 -0.91 0.55 0.00 -1.26 -0.28 121.76 123.54 1q8l s ALA 74 Ca 0.81 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.74 1q8l s ALA 74 Cb -0.79 -2.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 1q8l s ALA 74 CO 0.42 -1.33 1.98 -0.06 0.00 0.00 0.00 175.76 176.76 1q8l s PHE 75 N 1.34 1.77 -0.16 0.00 0.08 0.25 -4.69 117.98 116.56 1q8l s PHE 75 Ca -0.03 0.71 -0.29 0.00 0.12 0.00 0.00 56.93 57.45 1q8l s PHE 75 Cb -0.20 -4.00 -0.02 0.00 -0.57 0.00 0.00 43.02 38.24 1q8l s PHE 75 CO 0.01 -1.71 1.29 0.08 -0.10 0.00 0.00 175.22 174.79 1q8l s VAL 76 N 10.45 4.23 -0.51 -0.44 1.01 -1.26 -2.27 120.40 131.61 1q8l s VAL 76 Ca 0.71 1.49 0.15 0.00 0.00 0.00 0.00 61.98 64.34 1q8l s VAL 76 Cb -0.07 -3.97 0.80 0.00 0.00 0.00 0.00 36.38 33.14 1q8l s VAL 76 CO 0.00 -0.14 1.72 0.29 0.00 0.00 0.00 175.10 176.97 1q8l n LYS 77 N 6.67 4.59 -3.52 2.72 5.02 -1.26 -4.86 118.16 127.52 1q8l n LYS 77 Ca 0.14 -3.09 -0.00 0.00 -2.02 0.00 0.00 58.31 53.34 1q8l n LYS 77 Cb 0.45 -2.17 -0.05 0.00 -0.02 0.00 0.00 35.03 33.24 1q8l n LYS 77 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1q8l s LYS 78 N -2.50 0.39 -0.37 1.97 0.00 -1.26 -5.06 119.74 112.91 1q8l s LYS 78 Ca 0.54 0.88 0.02 0.00 0.00 0.00 0.00 55.97 57.40 1q8l s LYS 78 Cb 0.39 0.42 0.29 0.00 0.00 0.00 0.00 37.83 38.93 1q8l s LYS 78 CO 0.19 -0.12 1.21 0.00 0.00 0.00 0.00 175.35 176.63 1q8l n GLN 79 N 4.73 0.33 -0.94 1.78 10.64 -1.26 -5.00 117.38 127.66 1q8l n GLN 79 Ca -0.12 -1.00 -0.30 0.00 -1.83 0.00 0.00 57.00 53.74 1q8l n GLN 79 Cb 0.53 -0.50 0.25 0.00 -0.86 0.00 0.00 30.24 29.66 1q8l n GLN 79 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1q8l s PRO 80 N 0.21 -1.52 0.01 2.61 0.04 -1.26 -4.99 135.00 130.10 1q8l s PRO 80 Ca 0.25 -0.00 -0.22 0.00 0.04 0.00 0.00 61.00 61.07 1q8l s PRO 80 Cb 0.24 -1.56 -0.12 0.00 0.04 0.00 0.00 34.50 33.11 1q8l s PRO 80 CO -0.14 -3.92 1.07 0.87 0.04 0.00 0.00 177.00 174.92 1q8l h LYS 81 N -2.73 -0.77 -2.88 4.56 1.79 -2.02 -3.46 116.57 111.06 1q8l h LYS 81 Ca -0.45 0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 57.93 1q8l h LYS 81 Cb 1.30 0.17 -0.26 0.00 -1.58 0.00 0.00 32.23 31.87 1q8l h LYS 81 CO 0.34 -0.51 -0.33 0.71 -1.08 0.00 0.00 179.45 178.57 1q8l s TYR 82 N -4.33 -0.40 0.45 -1.35 2.02 -1.26 -5.03 117.35 107.45 1q8l s TYR 82 Ca -0.12 0.96 0.12 0.00 -0.37 0.00 0.00 57.07 57.66 1q8l s TYR 82 Cb 0.01 0.14 1.02 0.00 -0.40 0.00 0.00 41.96 42.73 1q8l s TYR 82 CO 0.35 -0.21 2.05 1.25 -1.57 0.00 0.00 175.55 177.42 1q8l h LEU 83 N 6.03 0.17 0.00 -1.29 5.85 -1.93 -3.55 115.31 120.59 1q8l h LEU 83 Ca -0.30 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1q8l h LEU 83 Cb 1.18 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1q8l h LEU 83 CO 0.30 0.20 0.00 1.17 -0.34 0.00 0.00 178.44 179.77