#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 -0.21 0.76 1.61 1.04 -1.26 -5.17 113.70 110.47 1q8l s SER 2 Ca 0.00 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.61 1q8l s SER 2 Cb 0.00 0.73 0.04 0.00 0.10 0.00 0.00 66.02 66.90 1q8l s SER 2 CO 0.00 -1.37 1.09 -0.04 0.98 0.00 0.00 173.24 173.89 1q8l s MET 3 N -3.74 2.44 0.00 4.02 1.00 -1.26 -4.96 119.30 116.80 1q8l s MET 3 Ca 0.13 0.69 0.00 0.00 0.00 0.00 0.00 55.69 56.50 1q8l s MET 3 Cb -0.05 -1.95 0.00 0.00 0.00 0.00 0.00 34.83 32.82 1q8l s MET 3 CO 0.08 -1.38 0.00 0.00 0.00 0.00 0.00 175.02 173.71 1q8l n ALA 4 N -3.28 0.22 -3.26 3.03 0.00 -1.26 -5.06 120.51 110.91 1q8l n ALA 4 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1q8l n ALA 4 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 1q8l n ALA 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1q8l s GLN 5 N -1.39 0.71 0.30 0.00 0.74 -1.26 -4.95 119.66 113.81 1q8l s GLN 5 Ca 0.00 -0.34 0.13 0.00 0.05 0.00 0.00 55.36 55.20 1q8l s GLN 5 Cb 0.00 -0.16 0.44 0.00 1.10 0.00 0.00 33.01 34.39 1q8l s GLN 5 CO 0.00 -1.17 1.65 0.00 -0.55 0.00 0.00 175.29 175.22 1q8l h ALA 6 N 7.19 0.98 0.00 1.58 0.00 -2.01 -3.43 119.26 123.57 1q8l h ALA 6 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1q8l h ALA 6 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1q8l h ALA 6 CO 0.15 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1q8l n GLY 7 N 0.25 0.00 3.43 0.00 0.00 -1.26 -5.16 105.19 102.45 1q8l n GLY 7 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.67 -0.03 1.61 -1.05 -1.26 -4.36 118.70 115.27 1q8l s GLU 8 Ca 0.00 -1.66 0.01 0.00 -0.15 0.00 0.00 54.97 53.18 1q8l s GLU 8 Cb 0.00 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 1q8l s GLU 8 CO 0.00 -0.66 -0.06 0.14 0.95 0.00 0.00 175.26 175.63 1q8l s VAL 9 N -3.54 0.57 -0.37 1.83 -7.23 0.17 -4.67 120.40 107.17 1q8l s VAL 9 Ca 0.32 -0.19 -0.10 0.00 -1.81 0.00 0.00 61.98 60.20 1q8l s VAL 9 Cb 0.01 -0.56 0.04 0.00 0.56 0.00 0.00 36.38 36.43 1q8l s VAL 9 CO 0.17 0.21 0.19 0.68 -0.31 0.00 0.00 175.10 176.04 1q8l s VAL 10 N 0.59 4.34 0.22 1.32 -7.23 -1.26 -2.05 120.40 116.33 1q8l s VAL 10 Ca -0.08 -1.00 0.11 0.00 -1.81 0.00 0.00 61.98 59.21 1q8l s VAL 10 Cb -0.11 -3.46 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 1q8l s VAL 10 CO 0.00 -0.26 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.55 1q8l s LEU 11 N 1.50 2.48 -0.22 1.32 2.01 -1.24 -5.05 118.68 119.47 1q8l s LEU 11 Ca 0.01 -0.92 -0.01 0.00 0.01 0.00 0.00 54.13 53.22 1q8l s LEU 11 Cb -0.20 -1.13 0.06 0.00 0.01 0.00 0.00 46.19 44.94 1q8l s LEU 11 CO 0.05 0.09 -0.00 -0.75 1.01 0.00 0.00 176.35 176.75 1q8l s LYS 12 N -2.94 1.12 0.18 1.70 2.20 -1.26 -3.40 119.74 117.33 1q8l s LYS 12 Ca 0.23 -0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 1q8l s LYS 12 Cb -0.07 -2.34 -0.07 0.00 -1.51 0.00 0.00 37.83 33.84 1q8l s LYS 12 CO 0.11 -0.65 0.56 -1.64 -0.36 0.00 0.00 175.35 173.37 1q8l s MET 13 N 1.61 3.93 -0.55 4.03 -1.94 0.12 -4.79 119.30 121.71 1q8l s MET 13 Ca -0.02 0.44 0.03 0.00 -1.71 0.00 0.00 55.69 54.43 1q8l s MET 13 Cb -0.18 -2.83 0.14 0.00 2.01 0.00 0.00 34.83 33.96 1q8l s MET 13 CO -0.08 0.42 0.30 0.21 -0.01 0.00 0.00 175.02 175.85 1q8l s LYS 14 N -2.23 2.08 0.90 2.03 2.47 -1.25 -1.31 119.74 122.41 1q8l s LYS 14 Ca 0.41 -2.68 -0.12 0.00 -1.56 0.00 0.00 55.97 52.02 1q8l s LYS 14 Cb -0.14 -3.37 0.13 0.00 -1.46 0.00 0.00 37.83 32.99 1q8l s LYS 14 CO 0.20 -1.13 1.11 0.08 0.16 0.00 0.00 175.35 175.76 1q8l s VAL 15 N -0.37 2.45 -0.36 4.02 1.01 -1.15 -0.91 120.40 125.10 1q8l s VAL 15 Ca 0.18 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1q8l s VAL 15 Cb -0.24 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.43 1q8l s VAL 15 CO -0.02 -0.19 0.13 -0.70 0.00 0.00 0.00 175.10 174.32 1q8l s GLU 16 N -5.09 2.50 0.00 2.72 2.12 0.13 -4.53 118.70 116.55 1q8l s GLU 16 Ca 0.63 -1.34 0.03 0.00 0.36 0.00 0.00 54.97 54.65 1q8l s GLU 16 Cb -0.16 -3.49 0.15 0.00 0.26 0.00 0.00 34.13 30.89 1q8l s GLU 16 CO 0.55 -0.77 0.46 0.41 -0.54 0.00 0.00 175.26 175.37 1q8l n GLY 17 N 4.77 -0.19 7.00 -1.50 0.00 -1.26 -4.39 105.19 109.62 1q8l n GLY 17 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.71 0.00 0.00 1.61 1.56 -1.26 -4.57 117.12 113.75 1q8l n MET 18 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.45 1q8l n MET 18 Cb 0.01 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.38 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 -5.05 114.28 114.75 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 0.72 0.07 0.00 5.65 -1.26 -5.04 115.29 115.44 1q8l s HIS 21 Ca 0.00 -0.18 -0.06 0.00 0.25 0.00 0.00 55.06 55.07 1q8l s HIS 21 Cb 0.00 -0.59 -0.29 0.00 -1.18 0.00 0.00 32.58 30.52 1q8l s HIS 21 CO 0.00 -0.13 1.13 1.03 -0.65 0.00 0.00 174.74 176.12 1q8l h SER 22 N 6.76 0.48 0.00 9.88 0.87 -1.81 -3.47 113.55 126.26 1q8l h SER 22 Ca -0.35 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 1q8l h SER 22 Cb 1.16 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1q8l h SER 22 CO 0.48 1.40 0.00 0.00 -0.53 0.00 0.00 176.83 178.18 1q8l n THR 24 N -1.80 0.31 -0.31 0.00 -2.24 -1.26 -3.48 114.28 105.50 1q8l n THR 24 Ca 0.00 0.08 0.02 0.00 -2.27 0.00 0.00 64.05 61.87 1q8l n THR 24 Cb 0.18 -0.70 0.20 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.98 0.09 3.42 4.64 -2.02 -1.79 113.55 118.87 1q8l h SER 25 Ca 0.00 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1q8l h SER 25 Cb 0.24 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1q8l h SER 25 CO 0.00 0.67 -0.51 0.71 -0.87 0.00 0.00 176.83 176.83 1q8l h THR 26 N 1.13 1.33 -0.11 2.95 1.35 -1.98 -3.24 112.91 114.34 1q8l h THR 26 Ca 0.37 -1.75 0.01 0.00 -0.55 0.00 0.00 66.41 64.48 1q8l h THR 26 Cb 0.04 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1q8l h THR 26 CO -0.11 0.54 0.05 0.40 -0.25 0.00 0.00 175.52 176.14 1q8l h ILE 27 N 0.37 0.99 -0.71 6.82 2.04 -1.52 -3.06 117.51 122.44 1q8l h ILE 27 Ca 0.01 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1q8l h ILE 27 Cb 1.02 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.88 1q8l h ILE 27 CO 0.09 0.02 -0.50 -0.08 0.00 0.00 0.00 178.15 177.68 1q8l h GLU 28 N 0.11 -0.10 -0.18 2.37 4.22 -1.51 0.07 114.58 119.56 1q8l h GLU 28 Ca 0.05 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 1q8l h GLU 28 Cb 0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1q8l h GLU 28 CO -0.04 -0.07 0.08 0.78 -2.18 0.00 0.00 179.01 177.59 1q8l h GLY 29 N -0.11 0.26 1.54 1.92 0.00 -1.68 -1.95 103.07 103.06 1q8l h GLY 29 Ca 0.12 -0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1q8l h GLY 29 CO -0.73 0.10 -0.77 1.70 0.00 0.00 0.00 176.54 176.85 1q8l h LYS 30 N 0.25 0.44 -0.07 4.80 3.64 -1.04 -2.96 116.57 121.64 1q8l h LYS 30 Ca 0.07 -0.38 -0.12 0.00 -1.27 0.00 0.00 60.65 58.95 1q8l h LYS 30 Cb 0.04 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1q8l h LYS 30 CO -0.01 1.02 -0.50 0.82 -2.27 0.00 0.00 179.45 178.51 1q8l h ILE 31 N 0.29 1.35 0.00 2.00 2.04 -0.48 -2.48 117.51 120.23 1q8l h ILE 31 Ca -0.04 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1q8l h ILE 31 Cb 1.36 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1q8l h ILE 31 CO 0.13 0.51 0.00 1.23 0.00 0.00 0.00 178.15 180.02 1q8l h GLY 32 N 1.39 0.00 1.34 5.37 0.00 -1.28 -2.56 103.07 107.33 1q8l h GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q8l h GLY 32 CO 0.07 0.00 -0.21 1.17 0.00 0.00 0.00 176.54 177.57 1q8l n LYS 33 N -2.89 0.19 -2.13 4.80 3.00 -0.94 -4.89 118.16 115.30 1q8l n LYS 33 Ca 0.01 -0.07 -0.42 0.00 -0.00 0.00 0.00 58.31 57.84 1q8l n LYS 33 Cb 0.32 -1.50 -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 -2.86 4.37 0.16 3.14 1.43 -0.97 -5.00 118.68 118.96 1q8l s LEU 34 Ca 0.17 2.37 -0.27 0.00 -1.03 0.00 0.00 54.13 55.37 1q8l s LEU 34 Cb 0.19 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 1q8l s LEU 34 CO 0.58 -0.69 0.84 -1.10 0.23 0.00 0.00 176.35 176.21 1q8l s GLN 35 N 1.19 4.65 0.00 1.70 1.11 -1.26 -3.64 119.66 123.41 1q8l s GLN 35 Ca 0.66 1.27 0.00 0.00 0.01 0.00 0.00 55.36 57.29 1q8l s GLN 35 Cb -0.38 -3.29 0.00 0.00 -1.01 0.00 0.00 33.01 28.33 1q8l s GLN 35 CO 0.30 0.48 0.00 0.41 0.01 0.00 0.00 175.29 176.50 1q8l n GLY 36 N 1.74 0.76 3.81 3.09 0.00 -1.26 -4.72 105.19 108.61 1q8l n GLY 36 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.88 4.49 0.00 1.61 1.01 -1.24 -0.98 120.40 122.40 1q8l s VAL 37 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1q8l s VAL 37 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1q8l s VAL 37 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.25 1q8l n GLN 38 N 0.58 0.00 -3.25 2.72 1.13 -0.08 -4.86 117.38 113.61 1q8l n GLN 38 Ca -0.01 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 1q8l n GLN 38 Cb 0.51 -0.05 0.00 0.00 0.11 0.00 0.00 30.24 30.82 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 3.03 -0.25 -1.09 6.06 -0.86 -4.94 118.95 120.88 1q8l s ARG 39 Ca 0.00 -0.93 -0.02 0.00 -2.50 0.00 0.00 55.73 52.28 1q8l s ARG 39 Cb 0.00 -2.74 0.14 0.00 0.06 0.00 0.00 34.95 32.41 1q8l s ARG 39 CO 0.00 -0.10 0.41 -1.50 -2.50 0.00 0.00 175.30 171.60 1q8l s ILE 40 N -2.31 -0.65 -0.19 4.11 2.07 -1.26 -1.59 121.20 121.37 1q8l s ILE 40 Ca 0.48 -0.08 -0.09 0.00 -1.41 0.00 0.00 60.65 59.54 1q8l s ILE 40 Cb -0.10 -0.85 0.07 0.00 0.13 0.00 0.00 42.46 41.71 1q8l s ILE 40 CO 0.33 -0.12 0.45 -1.59 -1.91 0.00 0.00 174.94 172.10 1q8l s LYS 41 N 2.58 0.41 0.19 3.50 -2.85 -1.24 -4.99 119.74 117.34 1q8l s LYS 41 Ca 0.13 0.93 0.06 0.00 -1.00 0.00 0.00 55.97 56.09 1q8l s LYS 41 Cb -0.15 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.70 1q8l s LYS 41 CO -0.18 -0.19 0.14 0.08 0.10 0.00 0.00 175.35 175.30 1q8l s VAL 42 N 1.82 4.37 0.06 1.79 1.01 -1.26 -0.44 120.40 127.75 1q8l s VAL 42 Ca -0.07 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 60.75 1q8l s VAL 42 Cb -0.09 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1q8l s VAL 42 CO -0.14 -0.18 -0.17 -0.55 0.00 0.00 0.00 175.10 174.06 1q8l s SER 43 N -3.31 3.91 0.00 3.32 0.15 0.54 -4.92 113.70 113.39 1q8l s SER 43 Ca 0.31 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1q8l s SER 43 Cb -0.09 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1q8l s SER 43 CO 0.23 0.24 0.91 0.18 1.20 0.00 0.00 173.24 176.00 1q8l n LEU 44 N 1.34 0.00 -4.36 3.45 4.32 -1.26 -1.30 117.00 119.19 1q8l n LEU 44 Ca -0.16 0.41 -0.41 0.00 -0.02 0.00 0.00 56.01 55.83 1q8l n LEU 44 Cb 0.52 -0.41 -0.01 0.00 -1.62 0.00 0.00 43.42 41.91 1q8l n LEU 44 CO 0.28 -0.41 2.07 0.47 -1.22 0.00 0.00 177.39 178.58 1q8l n ASP 45 N -1.41 4.36 -3.47 -1.43 8.00 -1.26 -4.35 116.55 116.99 1q8l n ASP 45 Ca 0.00 -2.86 -0.18 0.00 0.71 0.00 0.00 54.79 52.46 1q8l n ASP 45 Cb 0.00 -1.70 0.02 0.00 -0.02 0.00 0.00 41.12 39.42 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1q8l n ASN 46 N 8.68 -6.14 -4.18 -2.24 4.13 -1.26 -2.43 115.26 111.83 1q8l n ASN 46 Ca 0.49 -0.66 -0.30 0.00 1.68 0.00 0.00 54.58 55.79 1q8l n ASN 46 Cb 0.44 -3.71 -0.07 0.00 -1.54 0.00 0.00 39.78 34.91 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 -2.89 -1.69 -2.31 3.52 -0.06 -1.23 -2.93 117.38 109.79 1q8l n GLN 47 Ca -0.12 0.20 -0.35 0.00 -2.00 0.00 0.00 57.00 54.73 1q8l n GLN 47 Cb 0.59 -3.85 -0.04 0.00 -4.06 0.00 0.00 30.24 22.88 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 -7.09 3.15 0.41 3.69 2.12 -0.42 -3.33 118.70 117.24 1q8l s GLU 48 Ca 0.03 -1.17 -0.25 0.00 0.36 0.00 0.00 54.97 53.94 1q8l s GLU 48 Cb -0.02 -5.31 -0.08 0.00 0.26 0.00 0.00 34.13 28.99 1q8l s GLU 48 CO 0.96 -2.99 1.19 0.00 -0.54 0.00 0.00 175.26 173.88 1q8l s ALA 49 N 7.65 3.13 -0.39 6.30 0.00 -0.43 -0.34 121.76 137.69 1q8l s ALA 49 Ca 0.60 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.66 1q8l s ALA 49 Cb -0.01 -3.40 0.30 0.00 0.00 0.00 0.00 23.12 20.02 1q8l s ALA 49 CO 0.03 -0.60 0.65 2.41 0.00 0.00 0.00 175.76 178.26 1q8l n THR 50 N -0.03 -0.40 -2.76 0.00 -1.04 0.42 0.11 114.28 110.58 1q8l n THR 50 Ca 0.05 -4.10 -0.41 0.00 -2.04 0.00 0.00 64.05 57.55 1q8l n THR 50 Cb 0.46 -0.91 -0.05 0.00 -1.82 0.00 0.00 70.33 68.02 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 -1.64 4.49 -0.11 12.58 1.09 -1.22 -3.69 121.20 132.70 1q8l s ILE 51 Ca 0.37 2.03 -0.04 0.00 -1.10 0.00 0.00 60.65 61.91 1q8l s ILE 51 Cb 0.26 -4.30 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 1q8l s ILE 51 CO -0.10 0.34 0.05 -0.69 -0.10 0.00 0.00 174.94 174.43 1q8l s VAL 52 N -0.10 4.68 0.26 2.92 1.01 -0.62 -3.67 120.40 124.88 1q8l s VAL 52 Ca 0.46 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 1q8l s VAL 52 Cb -0.23 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1q8l s VAL 52 CO 0.29 0.59 0.45 -0.72 0.00 0.00 0.00 175.10 175.71 1q8l s TYR 53 N -0.75 0.54 0.18 5.22 1.13 -0.87 -0.91 117.35 121.90 1q8l s TYR 53 Ca 0.12 -0.88 -0.16 0.00 -1.41 0.00 0.00 57.07 54.74 1q8l s TYR 53 Cb -0.12 0.09 -0.07 0.00 -1.10 0.00 0.00 41.96 40.75 1q8l s TYR 53 CO 0.03 -0.99 0.62 -0.65 -2.51 0.00 0.00 175.55 172.05 1q8l s GLN 54 N -3.87 4.08 -0.01 -3.49 -0.21 -0.15 -0.65 119.66 115.36 1q8l s GLN 54 Ca 0.25 0.64 -0.05 0.00 0.02 0.00 0.00 55.36 56.22 1q8l s GLN 54 Cb 0.00 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 1q8l s GLN 54 CO 0.11 0.43 0.54 -1.00 -2.12 0.00 0.00 175.29 173.25 1q8l h PRO 55 N 3.44 -0.17 -0.19 2.91 0.13 -1.88 -3.19 132.00 133.06 1q8l h PRO 55 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1q8l h PRO 55 Cb 1.19 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1q8l h PRO 55 CO 0.66 -0.12 0.00 -2.39 -0.23 0.00 0.00 178.00 175.92 1q8l n HIS 56 N -2.91 0.00 -0.06 1.56 1.44 -1.26 -3.72 115.22 110.27 1q8l n HIS 56 Ca -0.02 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.65 1q8l n HIS 56 Cb 0.07 -0.02 -0.01 0.00 0.12 0.00 0.00 29.99 30.15 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 0.07 0.00 -7.02 2.39 -0.00 -1.80 -3.46 115.31 105.49 1q8l h LEU 57 Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 57.88 58.14 1q8l h LEU 57 Cb 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 40.57 1q8l h LEU 57 CO 0.00 0.63 0.82 -0.51 -0.00 0.00 0.00 178.44 179.39 1q8l s ILE 58 N -1.99 0.00 -0.27 1.22 2.07 -1.24 -5.05 121.20 115.93 1q8l s ILE 58 Ca -0.11 -0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.02 1q8l s ILE 58 Cb 0.01 -1.09 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 1q8l s ILE 58 CO 0.16 0.00 0.12 -0.94 -1.91 0.00 0.00 174.94 172.37 1q8l s SER 59 N -2.24 5.48 0.30 4.50 1.04 -1.26 -4.76 113.70 116.76 1q8l s SER 59 Ca 0.10 -0.21 0.23 0.00 0.48 0.00 0.00 55.95 56.55 1q8l s SER 59 Cb -0.00 -2.00 1.10 0.00 0.10 0.00 0.00 66.02 65.21 1q8l s SER 59 CO -0.04 -0.07 1.70 0.52 0.98 0.00 0.00 173.24 176.32 1q8l n VAL 60 N 4.98 0.93 0.19 5.02 0.31 -1.26 -1.89 118.33 126.61 1q8l n VAL 60 Ca -0.15 0.49 0.11 0.00 -0.01 0.00 0.00 64.34 64.78 1q8l n VAL 60 Cb 0.51 -1.46 0.58 0.00 -0.91 0.00 0.00 33.84 32.55 1q8l n VAL 60 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1q8l n GLU 61 N -2.27 0.15 -0.12 5.55 2.13 -1.26 -1.25 120.64 123.56 1q8l n GLU 61 Ca 0.00 0.61 -0.12 0.00 0.66 0.00 0.00 57.16 58.32 1q8l n GLU 61 Cb 0.13 -1.95 -0.03 0.00 0.27 0.00 0.00 31.44 29.86 1q8l n GLU 61 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1q8l h GLU 62 N 0.00 0.70 -1.00 5.31 4.22 -1.79 -2.63 114.58 119.38 1q8l h GLU 62 Ca 0.00 -0.29 0.03 0.00 0.08 0.00 0.00 59.36 59.17 1q8l h GLU 62 Cb 0.04 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1q8l h GLU 62 CO 0.00 0.89 0.66 0.52 -2.18 0.00 0.00 179.01 178.90 1q8l h MET 63 N 0.48 1.27 -0.36 1.92 2.86 -1.40 -1.04 114.93 118.65 1q8l h MET 63 Ca 0.08 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1q8l h MET 63 Cb 0.66 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1q8l h MET 63 CO 0.04 0.84 0.25 0.87 1.06 0.00 0.00 176.91 179.97 1q8l h LYS 64 N 1.30 0.22 -0.25 1.72 6.56 -1.49 -1.26 116.57 123.37 1q8l h LYS 64 Ca 0.39 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.94 1q8l h LYS 64 Cb -0.06 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 1q8l h LYS 64 CO -0.11 0.14 0.05 -0.22 -2.06 0.00 0.00 179.45 177.25 1q8l h LYS 65 N 0.22 0.41 -0.27 3.15 3.64 -0.98 0.14 116.57 122.88 1q8l h LYS 65 Ca 0.16 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1q8l h LYS 65 Cb 0.36 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1q8l h LYS 65 CO -0.03 0.53 -0.18 1.96 -2.27 0.00 0.00 179.45 179.46 1q8l h GLN 66 N 0.22 0.48 -0.16 1.90 4.20 -1.33 -0.06 115.11 120.36 1q8l h GLN 66 Ca 0.08 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1q8l h GLN 66 Cb 0.31 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1q8l h GLN 66 CO 0.00 0.64 -0.29 0.82 -0.67 0.00 0.00 178.83 179.34 1q8l h ILE 67 N 0.44 1.26 0.00 2.54 2.04 -0.98 -1.24 117.51 121.57 1q8l h ILE 67 Ca 0.07 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1q8l h ILE 67 Cb 0.56 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1q8l h ILE 67 CO 0.04 0.38 -0.08 -0.33 0.00 0.00 0.00 178.15 178.16 1q8l h GLU 68 N 0.28 0.00 0.19 2.37 5.08 -0.04 -0.50 114.58 121.96 1q8l h GLU 68 Ca 0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.09 1q8l h GLU 68 Cb 0.65 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.92 1q8l h GLU 68 CO 0.05 0.00 -1.38 0.00 -1.00 0.00 0.00 179.01 176.67 1q8l h ALA 69 N 2.16 -0.03 0.00 3.43 0.00 -0.04 -3.23 119.26 121.55 1q8l h ALA 69 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1q8l h ALA 69 Cb 0.92 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1q8l h ALA 69 CO 0.00 0.84 0.00 0.00 0.00 0.00 0.00 179.25 180.09 1q8l n MET 70 N -3.62 0.11 0.00 0.00 0.00 -0.57 -4.86 117.12 108.18 1q8l n MET 70 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1q8l n MET 70 Cb 1.07 -1.67 0.00 0.00 0.00 0.00 0.00 33.22 32.62 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 0.58 1.96 2.78 3.17 0.00 -1.20 -5.09 105.19 107.38 1q8l n GLY 71 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 2.87 0.11 1.61 0.40 -0.20 -4.74 117.98 116.04 1q8l s PHE 72 Ca 0.00 -3.03 -0.35 0.00 -0.60 0.00 0.00 56.93 52.94 1q8l s PHE 72 Cb 0.00 -2.25 -0.17 0.00 0.51 0.00 0.00 43.02 41.11 1q8l s PHE 72 CO 0.00 -0.64 1.25 -2.30 0.70 0.00 0.00 175.22 174.23 1q8l n PRO 73 N 2.36 1.08 -4.08 0.24 -0.02 -1.26 -3.42 135.00 129.90 1q8l n PRO 73 Ca 0.20 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1q8l n PRO 73 Cb 0.38 -1.96 -0.16 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 0.19 2.26 -1.39 3.55 0.00 -1.26 0.19 121.76 125.29 1q8l s ALA 74 Ca 0.80 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1q8l s ALA 74 Cb -0.93 -1.26 0.09 0.00 0.00 0.00 0.00 23.12 21.01 1q8l s ALA 74 CO 0.49 -0.59 2.12 1.19 0.00 0.00 0.00 175.76 178.97 1q8l n PHE 75 N 4.61 3.25 -3.05 0.00 3.72 -0.08 -4.89 117.46 121.01 1q8l n PHE 75 Ca -0.18 -2.91 -0.41 0.00 -0.05 0.00 0.00 57.45 53.90 1q8l n PHE 75 Cb 0.48 -2.31 -0.06 0.00 -0.94 0.00 0.00 39.48 36.65 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 2.00 4.92 0.22 -4.37 1.01 -1.26 -3.93 120.40 119.00 1q8l s VAL 76 Ca 0.45 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1q8l s VAL 76 Cb 0.13 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1q8l s VAL 76 CO -0.05 -0.06 1.54 0.50 0.00 0.00 0.00 175.10 177.02 1q8l h LYS 77 N 7.96 0.34 -7.35 2.72 1.63 -1.92 -3.45 116.57 116.49 1q8l h LYS 77 Ca -0.26 -0.23 -0.45 0.00 -0.85 0.00 0.00 60.65 58.87 1q8l h LYS 77 Cb 1.11 0.03 0.16 0.00 -0.60 0.00 0.00 32.23 32.94 1q8l h LYS 77 CO 0.81 0.83 0.17 0.15 -3.45 0.00 0.00 179.45 177.96 1q8l s LYS 78 N -3.83 0.19 0.28 1.90 -0.14 -1.26 -5.09 119.74 111.79 1q8l s LYS 78 Ca -0.05 0.48 0.09 0.00 -1.36 0.00 0.00 55.97 55.13 1q8l s LYS 78 Cb 0.12 -1.71 -0.04 0.00 -1.68 0.00 0.00 37.83 34.51 1q8l s LYS 78 CO 0.81 -2.88 0.06 -0.65 -0.76 0.00 0.00 175.35 171.93 1q8l s GLN 79 N -4.95 2.43 1.21 1.68 1.11 -1.26 -5.14 119.66 114.75 1q8l s GLN 79 Ca 0.66 -1.37 -0.20 0.00 0.01 0.00 0.00 55.36 54.45 1q8l s GLN 79 Cb -0.19 -2.24 0.31 0.00 -1.01 0.00 0.00 33.01 29.88 1q8l s GLN 79 CO 0.58 0.32 0.81 -2.30 0.01 0.00 0.00 175.29 174.71 1q8l n PRO 80 N -1.00 -4.02 -1.79 2.91 -0.02 -1.26 -4.94 135.00 124.88 1q8l n PRO 80 Ca -0.06 -1.34 -0.40 0.00 -2.02 0.00 0.00 63.50 59.69 1q8l n PRO 80 Cb 0.59 -1.57 0.02 0.00 -0.02 0.00 0.00 33.50 32.52 1q8l n PRO 80 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1q8l s LYS 81 N -4.90 3.56 0.46 -0.52 -2.85 -1.26 -4.98 119.74 109.25 1q8l s LYS 81 Ca 0.59 2.39 0.00 0.00 -1.00 0.00 0.00 55.97 57.96 1q8l s LYS 81 Cb -0.09 -2.57 -0.00 0.00 -2.06 0.00 0.00 37.83 33.11 1q8l s LYS 81 CO 0.48 -0.91 0.02 0.98 0.10 0.00 0.00 175.35 176.02 1q8l n TYR 82 N -0.37 0.98 0.00 1.78 9.36 -1.26 -5.01 117.16 122.63 1q8l n TYR 82 Ca 0.06 -2.36 0.00 0.00 3.32 0.00 0.00 57.90 58.93 1q8l n TYR 82 Cb 0.42 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 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 0.00 0.00 0.00 2.98 -0.00 -1.26 -4.96 117.00 113.76 1q8l n LEU 83 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1q8l n LEU 83 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1q8l n LEU 83 CO 0.32 0.00 0.14 1.17 -0.00 0.00 0.00 177.39 179.02