#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 -0.89 -1.46 1.61 0.15 -0.52 -4.92 113.70 107.67 1q8l s SER 2 Ca 0.00 1.44 -0.07 0.00 0.70 0.00 0.00 55.95 58.03 1q8l s SER 2 Cb 0.00 1.33 0.05 0.00 -1.71 0.00 0.00 66.02 65.68 1q8l s SER 2 CO 0.00 -0.23 0.71 0.80 1.20 0.00 0.00 173.24 175.72 1q8l n MET 3 N 4.20 -4.36 -3.76 5.44 0.00 -1.26 -1.55 117.12 115.83 1q8l n MET 3 Ca -0.20 0.51 -0.23 0.00 -0.00 0.00 0.00 57.70 57.79 1q8l n MET 3 Cb 0.58 -5.07 0.02 0.00 0.00 0.00 0.00 33.22 28.76 1q8l n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1q8l n ALA 4 N -4.44 -2.05 -3.57 -5.12 0.00 -1.26 -4.99 120.51 99.08 1q8l n ALA 4 Ca -0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 1q8l n ALA 4 Cb 0.61 -1.97 -0.11 0.00 0.00 0.00 0.00 19.45 17.99 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 -6.11 0.41 0.39 0.00 2.00 -0.59 -4.89 119.66 110.87 1q8l s GLN 5 Ca 0.03 0.71 -0.11 0.00 -2.00 0.00 0.00 55.36 53.99 1q8l s GLN 5 Cb -0.01 0.06 0.04 0.00 0.80 0.00 0.00 33.01 33.90 1q8l s GLN 5 CO 0.83 -0.13 0.70 0.00 -0.50 0.00 0.00 175.29 176.20 1q8l s ALA 6 N 1.01 -0.19 0.00 1.58 0.00 -1.26 -1.44 121.76 121.46 1q8l s ALA 6 Ca -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1q8l s ALA 6 Cb -0.07 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1q8l s ALA 6 CO -0.08 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1q8l n GLY 7 N -0.56 1.55 2.90 0.00 0.00 -1.26 -4.98 105.19 102.83 1q8l n GLY 7 Ca -0.06 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.21 -3.82 1.61 0.28 -1.26 -4.93 120.64 112.31 1q8l n GLU 8 Ca 0.00 0.14 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 1q8l n GLU 8 Cb 0.00 -0.26 -0.14 0.00 1.43 0.00 0.00 31.44 32.47 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 -0.69 -0.02 -0.53 3.84 -7.23 -0.09 -4.66 120.40 111.02 1q8l s VAL 9 Ca 0.00 0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.28 1q8l s VAL 9 Cb 0.00 -0.13 0.40 0.00 0.56 0.00 0.00 36.38 37.21 1q8l s VAL 9 CO 0.00 0.03 1.22 1.33 -0.31 0.00 0.00 175.10 177.37 1q8l n VAL 10 N 3.43 2.75 -2.16 1.32 0.24 -1.26 -1.85 118.33 120.79 1q8l n VAL 10 Ca -0.17 -4.99 -0.34 0.00 -2.04 0.00 0.00 64.34 56.80 1q8l n VAL 10 Cb 0.57 -1.29 0.01 0.00 -1.47 0.00 0.00 33.84 31.65 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 -3.62 3.65 0.11 1.34 1.43 -1.25 -4.97 118.68 115.37 1q8l s LEU 11 Ca 0.48 2.04 0.10 0.00 -1.03 0.00 0.00 54.13 55.72 1q8l s LEU 11 Cb 0.38 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1q8l s LEU 11 CO -0.21 -1.23 -0.21 -0.75 0.23 0.00 0.00 176.35 174.18 1q8l s LYS 12 N -3.58 1.67 0.01 1.70 2.20 -1.26 -3.53 119.74 116.95 1q8l s LYS 12 Ca 0.69 -1.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.14 1q8l s LYS 12 Cb -0.21 -2.04 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 1q8l s LYS 12 CO 0.30 0.47 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.93 1q8l s MET 13 N -2.05 1.50 -0.53 4.03 -1.94 0.70 -3.61 119.30 117.40 1q8l s MET 13 Ca 0.16 -0.78 0.04 0.00 -1.71 0.00 0.00 55.69 53.40 1q8l s MET 13 Cb -0.10 -1.51 0.16 0.00 2.01 0.00 0.00 34.83 35.38 1q8l s MET 13 CO 0.08 0.40 0.35 0.21 -0.01 0.00 0.00 175.02 176.06 1q8l s LYS 14 N -0.71 1.67 1.16 2.03 2.20 -1.22 -1.52 119.74 123.34 1q8l s LYS 14 Ca 0.07 -2.55 -0.13 0.00 -0.36 0.00 0.00 55.97 53.00 1q8l s LYS 14 Cb -0.08 -2.58 0.28 0.00 -1.51 0.00 0.00 37.83 33.94 1q8l s LYS 14 CO 0.00 -1.26 1.03 0.08 -0.36 0.00 0.00 175.35 174.85 1q8l s VAL 15 N -0.41 1.97 -0.01 4.02 1.01 -1.10 -0.71 120.40 125.18 1q8l s VAL 15 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1q8l s VAL 15 Cb -0.11 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1q8l s VAL 15 CO -0.10 0.00 -0.10 -0.70 0.00 0.00 0.00 175.10 174.19 1q8l s GLU 16 N -4.59 2.48 0.00 2.72 2.12 0.85 -4.54 118.70 117.74 1q8l s GLU 16 Ca 0.68 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1q8l s GLU 16 Cb -0.23 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.73 1q8l s GLU 16 CO 0.63 0.60 0.63 0.41 -0.54 0.00 0.00 175.26 176.99 1q8l n GLY 17 N 1.78 1.57 7.00 -1.50 0.00 -1.26 -4.64 105.19 108.14 1q8l n GLY 17 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.20 0.00 -3.68 1.61 1.56 -1.26 -4.45 117.12 111.09 1q8l n MET 18 Ca 0.00 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.32 1q8l n MET 18 Cb 0.31 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.59 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 -0.01 0.00 1.12 -4.23 -1.26 -5.04 115.64 106.22 1q8l s THR 19 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1q8l s THR 19 Cb 0.00 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.10 1q8l s THR 19 CO 0.00 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 1q8l s HIS 21 N 0.00 2.63 -0.16 0.00 5.65 -1.26 -5.13 115.29 117.02 1q8l s HIS 21 Ca 0.00 -0.30 -0.08 0.00 0.25 0.00 0.00 55.06 54.93 1q8l s HIS 21 Cb 0.00 -2.51 0.07 0.00 -1.18 0.00 0.00 32.58 28.95 1q8l s HIS 21 CO 0.00 -0.70 0.37 -1.54 -0.65 0.00 0.00 174.74 172.23 1q8l s SER 22 N -4.42 -0.31 -0.46 9.88 1.04 -1.26 -4.66 113.70 113.51 1q8l s SER 22 Ca 0.57 0.84 -0.03 0.00 0.48 0.00 0.00 55.95 57.81 1q8l s SER 22 Cb -0.09 0.88 0.17 0.00 0.10 0.00 0.00 66.02 67.07 1q8l s SER 22 CO 0.36 -0.21 2.40 0.00 0.98 0.00 0.00 173.24 176.77 1q8l n THR 24 N 0.42 0.73 -0.03 0.00 -2.24 -1.26 -3.09 114.28 108.81 1q8l n THR 24 Ca 0.44 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.51 1q8l n THR 24 Cb 0.55 -0.94 0.50 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.35 -0.46 3.42 0.02 -2.03 -1.35 113.55 113.49 1q8l h SER 25 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1q8l h SER 25 Cb 0.17 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1q8l h SER 25 CO 0.00 0.22 -0.18 0.71 -1.14 0.00 0.00 176.83 176.44 1q8l h THR 26 N 0.39 1.27 -0.88 -2.27 1.35 -1.96 -3.08 112.91 107.73 1q8l h THR 26 Ca 0.22 -1.34 0.18 0.00 -0.55 0.00 0.00 66.41 64.93 1q8l h THR 26 Cb 0.37 1.09 -0.07 0.00 -1.73 0.00 0.00 68.15 67.81 1q8l h THR 26 CO -0.06 0.46 0.58 0.40 -0.25 0.00 0.00 175.52 176.66 1q8l h ILE 27 N 0.84 0.72 0.00 6.82 2.04 -1.46 -1.69 117.51 124.79 1q8l h ILE 27 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1q8l h ILE 27 Cb 0.75 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1q8l h ILE 27 CO 0.06 0.09 0.00 1.21 0.00 0.00 0.00 178.15 179.51 1q8l n GLU 28 N -4.53 0.00 0.25 2.37 2.13 -1.16 -1.79 120.64 117.92 1q8l n GLU 28 Ca 0.18 0.65 0.14 0.00 0.66 0.00 0.00 57.16 58.79 1q8l n GLU 28 Cb 0.63 -1.40 0.59 0.00 0.27 0.00 0.00 31.44 31.53 1q8l n GLU 28 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1q8l h GLY 29 N 0.00 0.00 1.04 8.31 0.00 -1.71 -0.02 103.07 110.69 1q8l h GLY 29 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1q8l h GLY 29 CO 0.00 0.00 0.24 1.70 0.00 0.00 0.00 176.54 178.48 1q8l h LYS 30 N 0.00 1.11 0.00 4.80 1.63 -1.14 -1.76 116.57 121.21 1q8l h LYS 30 Ca -0.00 -0.23 -0.11 0.00 -0.85 0.00 0.00 60.65 59.46 1q8l h LYS 30 Cb 0.61 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1q8l h LYS 30 CO 0.01 0.95 -1.41 -0.89 -3.45 0.00 0.00 179.45 174.66 1q8l n ILE 31 N -4.29 0.90 0.66 2.00 5.41 -0.74 -3.94 119.36 119.36 1q8l n ILE 31 Ca 0.06 -0.64 0.12 0.00 1.00 0.00 0.00 62.75 63.29 1q8l n ILE 31 Cb 0.22 -0.52 0.47 0.00 -0.71 0.00 0.00 39.64 39.09 1q8l n ILE 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q8l n GLY 32 N 1.34 -1.39 0.52 7.39 0.00 -0.03 -2.72 105.19 110.29 1q8l n GLY 32 Ca -0.08 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.86 1.63 -2.36 1.61 3.00 -0.68 -4.93 118.16 114.58 1q8l n LYS 33 Ca 0.05 -1.04 -0.42 0.00 -0.00 0.00 0.00 58.31 56.89 1q8l n LYS 33 Cb 0.30 -1.48 -0.03 0.00 0.00 0.00 0.00 35.03 33.83 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 -2.09 4.31 0.15 3.14 1.43 -1.10 -5.02 118.68 119.50 1q8l s LEU 34 Ca 0.34 1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 55.18 1q8l s LEU 34 Cb 0.20 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.79 1q8l s LEU 34 CO 0.37 -0.62 0.72 -1.10 0.23 0.00 0.00 176.35 175.94 1q8l s GLN 35 N 2.08 4.44 0.00 1.70 1.11 -1.26 -3.74 119.66 123.98 1q8l s GLN 35 Ca 0.60 1.02 0.00 0.00 0.01 0.00 0.00 55.36 56.98 1q8l s GLN 35 Cb -0.28 -3.21 0.00 0.00 -1.01 0.00 0.00 33.01 28.51 1q8l s GLN 35 CO 0.25 0.57 0.00 0.41 0.01 0.00 0.00 175.29 176.53 1q8l n GLY 36 N 1.51 0.81 3.83 3.09 0.00 -1.26 -4.50 105.19 108.66 1q8l n GLY 36 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.12 4.68 0.00 1.61 1.01 -1.25 -2.40 120.40 120.93 1q8l s VAL 37 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1q8l s VAL 37 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1q8l s VAL 37 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.33 1q8l n GLN 38 N 0.79 0.00 -3.27 2.72 6.02 -0.34 -4.89 117.38 118.41 1q8l n GLN 38 Ca -0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.76 1q8l n GLN 38 Cb 0.51 -0.07 0.00 0.00 1.02 0.00 0.00 30.24 31.71 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 3.05 -0.22 -1.09 6.06 -0.38 -4.96 118.95 121.41 1q8l s ARG 39 Ca 0.00 -0.89 -0.08 0.00 -2.50 0.00 0.00 55.73 52.25 1q8l s ARG 39 Cb 0.00 -2.73 0.09 0.00 0.06 0.00 0.00 34.95 32.37 1q8l s ARG 39 CO 0.00 -0.09 0.48 -1.50 -2.50 0.00 0.00 175.30 171.69 1q8l s ILE 40 N -2.31 -0.57 0.14 4.11 2.07 -1.26 -1.93 121.20 121.44 1q8l s ILE 40 Ca 0.47 0.11 -0.11 0.00 -1.41 0.00 0.00 60.65 59.71 1q8l s ILE 40 Cb -0.10 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.76 1q8l s ILE 40 CO 0.33 0.05 0.32 -1.59 -1.91 0.00 0.00 174.94 172.14 1q8l s LYS 41 N 2.41 1.10 -0.02 3.50 -2.85 -1.26 -4.99 119.74 117.62 1q8l s LYS 41 Ca -0.04 -0.99 0.01 0.00 -1.00 0.00 0.00 55.97 53.95 1q8l s LYS 41 Cb -0.11 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1q8l s LYS 41 CO -0.14 -0.41 -0.01 0.08 0.10 0.00 0.00 175.35 174.96 1q8l s VAL 42 N -3.90 0.22 0.04 1.79 1.01 -1.26 -1.18 120.40 117.12 1q8l s VAL 42 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1q8l s VAL 42 Cb 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1q8l s VAL 42 CO -0.05 0.12 0.20 -0.44 0.00 0.00 0.00 175.10 174.93 1q8l s SER 43 N 0.62 6.35 0.00 3.32 0.01 -0.05 -4.92 113.70 119.03 1q8l s SER 43 Ca -0.06 0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.53 1q8l s SER 43 Cb -0.09 -1.96 0.27 0.00 0.21 0.00 0.00 66.02 64.45 1q8l s SER 43 CO -0.01 0.20 0.64 0.00 0.41 0.00 0.00 173.24 174.48 1q8l n LEU 44 N 0.49 0.00 -3.77 2.44 -0.00 -1.26 -1.50 117.00 113.41 1q8l n LEU 44 Ca -0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.52 1q8l n LEU 44 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1q8l n LEU 44 CO 0.49 0.00 2.26 -0.67 -0.00 0.00 0.00 177.39 179.47 1q8l n ASP 45 N -0.81 5.21 -3.24 1.45 2.03 -1.26 -4.54 116.55 115.38 1q8l n ASP 45 Ca 0.03 -3.02 -0.06 0.00 0.52 0.00 0.00 54.79 52.26 1q8l n ASP 45 Cb 0.02 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.90 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1q8l n ASN 46 N 4.22 -7.07 -4.28 1.67 4.13 -1.26 -2.93 115.26 109.75 1q8l n ASN 46 Ca 0.47 -0.30 -0.32 0.00 1.68 0.00 0.00 54.58 56.11 1q8l n ASN 46 Cb 0.35 -4.43 -0.08 0.00 -1.54 0.00 0.00 39.78 34.08 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 -2.01 -0.99 -2.41 3.52 0.00 -1.22 -2.69 117.38 111.58 1q8l n GLN 47 Ca -0.08 0.10 -0.37 0.00 -0.00 0.00 0.00 57.00 56.65 1q8l n GLN 47 Cb 0.55 -3.52 -0.03 0.00 0.00 0.00 0.00 30.24 27.24 1q8l n GLN 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1q8l s GLU 48 N -7.36 3.38 0.03 3.69 2.12 -0.56 -3.40 118.70 116.60 1q8l s GLU 48 Ca 0.05 -1.28 -0.30 0.00 0.36 0.00 0.00 54.97 53.79 1q8l s GLU 48 Cb -0.03 -5.35 -0.05 0.00 0.26 0.00 0.00 34.13 28.96 1q8l s GLU 48 CO 0.99 -2.69 1.24 0.00 -0.54 0.00 0.00 175.26 174.25 1q8l s ALA 49 N 6.51 3.45 -0.69 6.30 0.00 -0.58 -0.87 121.76 135.88 1q8l s ALA 49 Ca 0.56 0.81 0.05 0.00 0.00 0.00 0.00 51.96 53.38 1q8l s ALA 49 Cb 0.00 -3.49 0.24 0.00 0.00 0.00 0.00 23.12 19.87 1q8l s ALA 49 CO 0.01 -0.59 0.74 2.41 0.00 0.00 0.00 175.76 178.33 1q8l n THR 50 N 4.20 2.43 -2.40 0.00 -1.04 -0.32 -0.21 114.28 116.94 1q8l n THR 50 Ca 0.10 -5.20 -0.41 0.00 -2.04 0.00 0.00 64.05 56.51 1q8l n THR 50 Cb 0.46 -2.13 -0.04 0.00 -1.82 0.00 0.00 70.33 66.80 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 -2.28 3.37 -0.10 12.58 1.09 -1.23 -4.05 121.20 130.58 1q8l s ILE 51 Ca 0.36 1.33 0.02 0.00 -1.10 0.00 0.00 60.65 61.27 1q8l s ILE 51 Cb 0.10 -3.85 -0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1q8l s ILE 51 CO -0.04 0.30 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.25 1q8l s VAL 52 N -0.95 2.76 0.16 2.92 1.01 -0.81 -3.80 120.40 121.68 1q8l s VAL 52 Ca 0.47 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1q8l s VAL 52 Cb -0.33 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1q8l s VAL 52 CO 0.42 0.55 0.39 -0.72 0.00 0.00 0.00 175.10 175.73 1q8l s TYR 53 N 0.12 0.06 0.62 5.22 1.13 -0.77 -1.19 117.35 122.53 1q8l s TYR 53 Ca -0.08 -0.41 -0.18 0.00 -1.41 0.00 0.00 57.07 54.98 1q8l s TYR 53 Cb -0.15 0.17 -0.02 0.00 -1.10 0.00 0.00 41.96 40.86 1q8l s TYR 53 CO 0.05 -0.77 1.25 -0.65 -2.51 0.00 0.00 175.55 172.92 1q8l s GLN 54 N -3.89 2.78 0.00 -3.49 -0.21 -1.01 -0.91 119.66 112.93 1q8l s GLN 54 Ca 0.10 1.94 0.22 0.00 0.02 0.00 0.00 55.36 57.65 1q8l s GLN 54 Cb 0.02 -1.89 1.18 0.00 1.00 0.00 0.00 33.01 33.31 1q8l s GLN 54 CO -0.05 -1.39 1.71 -0.35 -2.12 0.00 0.00 175.29 173.10 1q8l n PRO 55 N -1.73 0.43 -0.86 2.91 -0.04 -1.26 -3.30 135.00 131.15 1q8l n PRO 55 Ca 0.15 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1q8l n PRO 55 Cb 0.49 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.20 0.00 -0.05 0.54 1.44 -1.26 -4.94 115.22 109.75 1q8l n HIS 56 Ca 0.12 -0.36 -0.20 0.00 -2.01 0.00 0.00 57.72 55.27 1q8l n HIS 56 Cb 0.15 0.43 -0.13 0.00 0.12 0.00 0.00 29.99 30.56 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 0.17 -7.16 2.39 -0.00 -1.88 -3.49 115.31 105.33 1q8l h LEU 57 Ca -0.41 -0.77 0.02 0.00 -0.00 0.00 0.00 57.88 56.72 1q8l h LEU 57 Cb 1.28 -0.05 -0.11 0.00 -0.00 0.00 0.00 40.66 41.77 1q8l h LEU 57 CO -0.21 1.43 0.27 -0.51 -0.00 0.00 0.00 178.44 179.42 1q8l s ILE 58 N -2.38 0.00 -0.33 1.22 2.07 -1.26 -4.97 121.20 115.55 1q8l s ILE 58 Ca -0.23 -0.16 -0.10 0.00 -1.41 0.00 0.00 60.65 58.75 1q8l s ILE 58 Cb 0.03 -1.18 0.01 0.00 0.13 0.00 0.00 42.46 41.45 1q8l s ILE 58 CO 0.69 0.00 0.17 -0.94 -1.91 0.00 0.00 174.94 172.95 1q8l s SER 59 N -2.74 5.63 0.41 4.50 1.04 -1.26 -4.93 113.70 116.35 1q8l s SER 59 Ca 0.03 -0.69 0.21 0.00 0.48 0.00 0.00 55.95 55.99 1q8l s SER 59 Cb -0.02 -2.01 0.84 0.00 0.10 0.00 0.00 66.02 64.93 1q8l s SER 59 CO -0.09 -0.26 1.80 0.58 0.98 0.00 0.00 173.24 176.24 1q8l h VAL 60 N 5.73 0.73 0.00 5.02 2.07 -2.00 -2.71 116.25 125.09 1q8l h VAL 60 Ca -0.30 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 1q8l h VAL 60 Cb 1.13 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1q8l h VAL 60 CO 0.63 0.29 -0.01 -0.08 0.02 0.00 0.00 177.57 178.42 1q8l h GLU 61 N 0.00 0.00 -0.29 1.57 4.81 -1.99 -0.63 114.58 118.05 1q8l h GLU 61 Ca -0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1q8l h GLU 61 Cb 0.79 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1q8l h GLU 61 CO 0.04 0.01 -0.40 1.49 -0.73 0.00 0.00 179.01 179.42 1q8l h GLU 62 N 0.00 0.79 -0.68 1.92 4.57 -1.91 -1.84 114.58 117.44 1q8l h GLU 62 Ca -0.00 -0.45 -0.05 0.00 -1.18 0.00 0.00 59.36 57.68 1q8l h GLU 62 Cb 0.02 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1q8l h GLU 62 CO 0.00 1.08 0.23 0.52 -1.18 0.00 0.00 179.01 179.66 1q8l h MET 63 N 0.55 1.02 -0.25 1.92 2.86 -1.28 -1.59 114.93 118.16 1q8l h MET 63 Ca 0.03 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1q8l h MET 63 Cb 0.99 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1q8l h MET 63 CO 0.09 0.86 0.01 0.87 1.06 0.00 0.00 176.91 179.81 1q8l h LYS 64 N 0.99 0.37 -0.55 1.72 1.79 -1.07 -1.39 116.57 118.44 1q8l h LYS 64 Ca 0.22 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1q8l h LYS 64 Cb 0.26 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1q8l h LYS 64 CO -0.01 0.39 0.24 -0.22 -1.08 0.00 0.00 179.45 178.77 1q8l h LYS 65 N 0.37 0.80 -0.44 3.15 3.11 -0.44 0.19 116.57 123.30 1q8l h LYS 65 Ca 0.08 -0.13 -0.08 0.00 -2.81 0.00 0.00 60.65 57.72 1q8l h LYS 65 Cb 0.23 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.30 1q8l h LYS 65 CO 0.00 0.68 -0.04 1.96 -2.81 0.00 0.00 179.45 179.24 1q8l h GLN 66 N 0.74 0.75 -0.15 1.90 4.20 -1.16 0.17 115.11 121.56 1q8l h GLN 66 Ca 0.19 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1q8l h GLN 66 Cb 0.16 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1q8l h GLN 66 CO -0.02 0.79 -0.30 0.82 -0.67 0.00 0.00 178.83 179.44 1q8l h ILE 67 N 0.69 1.27 0.00 2.54 2.04 -0.67 -1.03 117.51 122.36 1q8l h ILE 67 Ca 0.13 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1q8l h ILE 67 Cb 0.49 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1q8l h ILE 67 CO 0.03 0.39 -0.15 -0.33 0.00 0.00 0.00 178.15 178.08 1q8l h GLU 68 N 0.25 0.00 0.17 2.37 5.08 0.21 0.10 114.58 122.76 1q8l h GLU 68 Ca 0.03 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.09 1q8l h GLU 68 Cb 0.67 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1q8l h GLU 68 CO 0.05 0.06 -1.36 0.00 -1.00 0.00 0.00 179.01 176.76 1q8l h ALA 69 N 1.94 0.03 0.00 3.43 0.00 0.11 -3.26 119.26 121.51 1q8l h ALA 69 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1q8l h ALA 69 Cb 1.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1q8l h ALA 69 CO 0.01 0.90 0.00 0.00 0.00 0.00 0.00 179.25 180.16 1q8l n MET 70 N -3.59 0.10 0.00 0.00 0.00 -0.47 -4.87 117.12 108.30 1q8l n MET 70 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1q8l n MET 70 Cb 1.05 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.64 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 1.00 1.48 2.62 3.17 0.00 -1.17 -5.10 105.19 107.19 1q8l n GLY 71 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.48 1.98 0.16 1.61 0.08 0.34 -4.30 117.98 116.37 1q8l s PHE 72 Ca 0.00 -2.59 -0.33 0.00 0.12 0.00 0.00 56.93 54.13 1q8l s PHE 72 Cb 0.00 -1.66 -0.16 0.00 -0.57 0.00 0.00 43.02 40.63 1q8l s PHE 72 CO 0.00 -0.74 1.12 -2.30 -0.10 0.00 0.00 175.22 173.21 1q8l n PRO 73 N 2.86 1.03 -3.94 0.24 -0.02 -1.26 -3.18 135.00 130.73 1q8l n PRO 73 Ca 0.21 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 1q8l n PRO 73 Cb 0.40 -1.84 -0.16 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.23 1.71 -1.34 3.55 0.00 -1.26 -0.11 121.76 124.08 1q8l s ALA 74 Ca 0.74 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 1q8l s ALA 74 Cb -0.88 -1.19 0.12 0.00 0.00 0.00 0.00 23.12 21.17 1q8l s ALA 74 CO 0.53 -0.79 1.97 1.19 0.00 0.00 0.00 175.76 178.65 1q8l n PHE 75 N 4.79 3.35 -1.66 0.00 3.72 0.12 -4.81 117.46 122.97 1q8l n PHE 75 Ca -0.13 -2.89 -0.29 0.00 -0.05 0.00 0.00 57.45 54.09 1q8l n PHE 75 Cb 0.47 -2.21 -0.04 0.00 -0.94 0.00 0.00 39.48 36.76 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 1.62 3.08 -1.26 -4.37 1.01 -1.26 -3.40 120.40 115.83 1q8l s VAL 76 Ca 0.43 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1q8l s VAL 76 Cb 0.10 -3.20 0.10 0.00 0.00 0.00 0.00 36.38 33.37 1q8l s VAL 76 CO -0.03 -0.20 1.65 -0.75 0.00 0.00 0.00 175.10 175.77 1q8l s LYS 77 N 8.23 4.00 1.05 2.72 2.20 -1.24 -4.96 119.74 131.74 1q8l s LYS 77 Ca 0.90 -2.12 -0.18 0.00 -0.36 0.00 0.00 55.97 54.22 1q8l s LYS 77 Cb -0.14 -5.40 0.26 0.00 -1.51 0.00 0.00 37.83 31.03 1q8l s LYS 77 CO 0.18 -2.13 1.08 0.36 -0.36 0.00 0.00 175.35 174.48 1q8l n LYS 78 N 7.69 -2.37 -3.90 4.03 0.00 -1.26 -4.64 118.16 117.71 1q8l n LYS 78 Ca 0.45 -1.70 -0.29 0.00 -0.00 0.00 0.00 58.31 56.76 1q8l n LYS 78 Cb 0.45 -1.42 -0.13 0.00 -0.00 0.00 0.00 35.03 33.93 1q8l n LYS 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1q8l s GLN 79 N -5.41 2.00 0.35 -1.58 -1.52 -1.26 -5.08 119.66 107.15 1q8l s GLN 79 Ca 0.67 -2.73 -0.05 0.00 -1.95 0.00 0.00 55.36 51.29 1q8l s GLN 79 Cb -0.05 -3.20 0.08 0.00 -0.22 0.00 0.00 33.01 29.63 1q8l s GLN 79 CO 0.50 -1.17 0.47 -0.35 -0.25 0.00 0.00 175.29 174.49 1q8l n PRO 80 N 2.86 -0.39 -3.32 2.91 -0.04 -1.26 -5.12 135.00 130.65 1q8l n PRO 80 Ca 0.10 -0.77 -0.00 0.00 -0.04 0.00 0.00 63.50 62.78 1q8l n PRO 80 Cb 0.33 -0.47 -0.04 0.00 -0.04 0.00 0.00 33.50 33.29 1q8l n PRO 80 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1q8l s LYS 81 N -3.98 0.51 -0.02 0.54 2.47 -1.26 -5.14 119.74 112.85 1q8l s LYS 81 Ca 0.27 1.00 -0.22 0.00 -1.56 0.00 0.00 55.97 55.46 1q8l s LYS 81 Cb -0.01 0.40 -0.05 0.00 -1.46 0.00 0.00 37.83 36.71 1q8l s LYS 81 CO 0.19 -0.52 0.66 -0.47 0.16 0.00 0.00 175.35 175.36 1q8l s TYR 82 N 2.79 3.65 -0.48 4.03 5.04 -1.26 -4.99 117.35 126.13 1q8l s TYR 82 Ca 0.13 1.25 0.08 0.00 -2.44 0.00 0.00 57.07 56.09 1q8l s TYR 82 Cb -0.14 -2.71 0.35 0.00 0.35 0.00 0.00 41.96 39.81 1q8l s TYR 82 CO -0.19 0.24 0.87 1.28 -1.34 0.00 0.00 175.55 176.41 1q8l n LEU 83 N 3.15 2.96 0.00 6.97 4.77 -1.26 -5.37 117.00 128.21 1q8l n LEU 83 Ca -0.04 -5.31 0.00 0.00 -0.03 0.00 0.00 56.01 50.63 1q8l n LEU 83 Cb 0.51 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1q8l n LEU 83 CO 0.45 2.29 0.00 0.29 -1.33 0.00 0.00 177.39 179.09