#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz n LYS 2 N 0.00 0.00 -0.87 0.03 5.02 -1.26 -4.56 118.16 116.52 3huz n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3huz n LYS 2 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 3huz n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3huz n GLY 3 N 0.05 5.39 0.00 0.72 0.00 -1.26 -2.18 105.19 107.90 3huz n GLY 3 Ca 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3huz n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3huz n ILE 4 N 0.00 0.00 -4.01 -0.61 0.13 -1.18 -4.90 119.36 108.79 3huz n ILE 4 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.55 3huz n ILE 4 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 39.64 38.69 3huz n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3huz s LEU 5 N 0.00 2.24 0.00 9.51 1.43 -1.26 -3.76 118.68 126.85 3huz s LEU 5 Ca 0.00 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 3huz s LEU 5 Cb 0.00 0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.25 3huz s LEU 5 CO 0.00 -0.26 0.24 0.61 0.23 0.00 0.00 176.35 177.16 3huz n GLY 6 N 1.57 1.38 3.16 -3.19 0.00 -1.25 -3.81 105.19 103.05 3huz n GLY 6 Ca -0.23 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 3huz n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3huz s VAL 7 N -2.58 1.26 -0.60 1.61 -7.23 -1.21 0.74 120.40 112.39 3huz s VAL 7 Ca 0.05 -0.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.98 3huz s VAL 7 Cb -0.01 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 3huz s VAL 7 CO 0.02 0.13 1.70 -0.75 -0.31 0.00 0.00 175.10 175.89 3huz s LYS 8 N -0.97 2.88 0.27 4.82 2.20 -1.12 -2.24 119.74 125.57 3huz s LYS 8 Ca 0.04 0.54 0.10 0.00 -0.36 0.00 0.00 55.97 56.30 3huz s LYS 8 Cb -0.08 -4.30 0.35 0.00 -1.51 0.00 0.00 37.83 32.30 3huz s LYS 8 CO 0.01 -2.45 1.61 -0.39 -0.36 0.00 0.00 175.35 173.77 3huz h VAL 9 N 6.68 1.45 0.00 4.02 -1.51 -1.06 2.42 116.25 128.24 3huz h VAL 9 Ca -0.27 -2.13 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 3huz h VAL 9 Cb 1.14 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.44 3huz h VAL 9 CO 1.20 0.61 0.00 0.61 -1.23 0.00 0.00 177.57 178.76 3huz n GLY 10 N 0.25 0.01 3.12 5.19 0.00 -1.23 -4.69 105.19 107.85 3huz n GLY 10 Ca -0.01 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 3huz n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3huz s MET 11 N -1.46 0.70 0.00 1.61 0.23 -1.26 0.47 119.30 119.59 3huz s MET 11 Ca 0.00 -1.27 0.00 0.00 -1.03 0.00 0.00 55.69 53.39 3huz s MET 11 Cb 0.00 0.05 0.00 0.00 -1.53 0.00 0.00 34.83 33.35 3huz s MET 11 CO 0.00 -0.08 0.00 0.25 -2.03 0.00 0.00 175.02 173.16 3huz n THR 12 N 0.05 0.00 -4.02 3.16 -2.24 0.13 -4.98 114.28 106.37 3huz n THR 12 Ca -0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 3huz n THR 12 Cb 0.61 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.71 3huz n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3huz s ARG 13 N -0.07 0.32 0.00 -0.78 1.70 -1.26 0.65 118.95 119.51 3huz s ARG 13 Ca 0.00 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 3huz s ARG 13 Cb 0.00 -0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.22 3huz s ARG 13 CO 0.00 0.03 0.00 0.44 -1.08 0.00 0.00 175.30 174.69 3huz n ILE 14 N 2.29 0.00 -3.86 4.99 -5.35 -0.93 -4.88 119.36 111.62 3huz n ILE 14 Ca -0.18 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.12 3huz n ILE 14 Cb 0.57 -0.48 -0.17 0.00 -1.74 0.00 0.00 39.64 37.82 3huz n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3huz s PHE 15 N 1.35 0.28 0.02 4.28 0.08 -1.26 -2.76 117.98 119.96 3huz s PHE 15 Ca 0.00 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.10 3huz s PHE 15 Cb 0.00 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 41.99 3huz s PHE 15 CO 0.00 -0.16 -0.05 1.03 -0.10 0.00 0.00 175.22 175.94 3huz s ARG 16 N 1.30 0.41 -0.87 0.44 0.52 -0.37 -4.88 118.95 115.50 3huz s ARG 16 Ca -0.06 -0.46 -0.05 0.00 -0.52 0.00 0.00 55.73 54.64 3huz s ARG 16 Cb -0.13 -0.25 0.05 0.00 0.52 0.00 0.00 34.95 35.13 3huz s ARG 16 CO -0.02 0.05 0.13 -0.25 0.02 0.00 0.00 175.30 175.23 3huz n ASP 17 N 2.18 -0.09 -2.78 0.23 10.43 -1.26 0.92 116.55 126.18 3huz n ASP 17 Ca -0.18 -0.65 -0.13 0.00 2.57 0.00 0.00 54.79 56.40 3huz n ASP 17 Cb 0.57 -0.82 0.07 0.00 1.84 0.00 0.00 41.12 42.77 3huz n ASP 17 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3huz n ASP 18 N -1.16 -2.19 -3.64 -2.24 8.00 -1.26 -5.03 116.55 109.03 3huz n ASP 18 Ca -0.08 -0.45 -0.06 0.00 0.71 0.00 0.00 54.79 54.91 3huz n ASP 18 Cb 0.31 -3.90 -0.07 0.00 -0.02 0.00 0.00 41.12 37.44 3huz n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3huz s ARG 19 N -5.05 0.46 0.53 -1.24 1.70 0.26 -5.15 118.95 110.46 3huz s ARG 19 Ca 0.02 0.65 -0.19 0.00 -0.47 0.00 0.00 55.73 55.75 3huz s ARG 19 Cb -0.01 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.47 3huz s ARG 19 CO 0.54 -0.07 1.07 0.00 -1.08 0.00 0.00 175.30 175.76 3huz s ALA 20 N 0.79 2.77 -0.25 7.88 0.00 -1.26 -1.23 121.76 130.46 3huz s ALA 20 Ca -0.03 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 3huz s ALA 20 Cb -0.04 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 19.89 3huz s ALA 20 CO -0.11 -0.58 0.19 0.14 0.00 0.00 0.00 175.76 175.40 3huz s VAL 21 N -2.00 -0.22 0.16 0.00 -7.23 -1.11 -4.91 120.40 105.09 3huz s VAL 21 Ca 0.69 -0.45 -0.32 0.00 -1.81 0.00 0.00 61.98 60.08 3huz s VAL 21 Cb -0.19 -0.85 -0.12 0.00 0.56 0.00 0.00 36.38 35.78 3huz s VAL 21 CO 0.26 -0.47 1.71 -0.81 -0.31 0.00 0.00 175.10 175.48 3huz n PRO 22 N 5.29 2.57 -3.96 4.82 -0.04 -1.26 -2.19 135.00 140.22 3huz n PRO 22 Ca -0.05 0.93 -0.09 0.00 -0.04 0.00 0.00 63.50 64.25 3huz n PRO 22 Cb 0.46 -2.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.05 3huz n PRO 22 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3huz s VAL 23 N 1.56 0.12 -0.05 0.52 -7.23 0.21 -3.09 120.40 112.43 3huz s VAL 23 Ca 0.78 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 3huz s VAL 23 Cb -0.56 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 3huz s VAL 23 CO 0.36 -0.53 -0.02 0.28 -0.31 0.00 0.00 175.10 174.88 3huz s THR 24 N -1.80 4.08 -0.23 5.32 -1.32 0.64 -0.70 115.64 121.64 3huz s THR 24 Ca -0.12 -0.43 -0.11 0.00 -1.21 0.00 0.00 61.69 59.81 3huz s THR 24 Cb -0.07 -2.74 -0.05 0.00 -1.51 0.00 0.00 72.50 68.14 3huz s THR 24 CO -0.02 0.53 0.19 -0.69 -2.21 0.00 0.00 174.62 172.42 3huz s VAL 25 N -0.93 5.34 0.07 5.08 1.01 0.18 -2.55 120.40 128.60 3huz s VAL 25 Ca 0.15 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.45 3huz s VAL 25 Cb -0.11 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3huz s VAL 25 CO 0.05 0.35 -0.04 -0.63 0.00 0.00 0.00 175.10 174.82 3huz s ILE 26 N 0.97 3.75 -0.82 2.22 -1.09 -0.46 -0.40 121.20 125.37 3huz s ILE 26 Ca 0.09 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 3huz s ILE 26 Cb -0.13 -2.74 0.20 0.00 -1.58 0.00 0.00 42.46 38.21 3huz s ILE 26 CO 0.04 0.20 0.67 -0.22 -1.23 0.00 0.00 174.94 174.40 3huz s LEU 27 N -2.03 5.28 -1.59 2.97 2.96 -0.95 -0.68 118.68 124.64 3huz s LEU 27 Ca 0.22 -3.76 -0.10 0.00 -0.22 0.00 0.00 54.13 50.27 3huz s LEU 27 Cb -0.11 -1.81 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 3huz s LEU 27 CO 0.14 -0.15 2.84 0.00 -1.32 0.00 0.00 176.35 177.87 3huz n ALA 28 N 2.21 7.29 -1.00 5.97 0.00 -0.89 -3.29 120.51 130.80 3huz n ALA 28 Ca 0.21 -3.61 0.00 0.00 0.00 0.00 0.00 53.44 50.04 3huz n ALA 28 Cb 0.36 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.45 3huz n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huz n GLY 29 N 3.54 -2.87 3.72 0.00 0.00 -1.25 -3.72 105.19 104.61 3huz n GLY 29 Ca 0.75 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3huz n GLY 29 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3huz s PRO 30 N -0.17 4.24 -0.44 1.61 0.02 -1.26 -4.59 135.00 134.41 3huz s PRO 30 Ca 0.00 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.35 3huz s PRO 30 Cb 0.00 -3.17 0.13 0.00 0.02 0.00 0.00 34.50 31.48 3huz s PRO 30 CO 0.00 -0.56 0.22 0.00 -0.33 0.00 0.00 177.00 176.33 3huz s PRO 32 N 0.36 3.30 0.16 0.00 0.02 -1.26 0.17 135.00 137.75 3huz s PRO 32 Ca 0.16 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 62.41 3huz s PRO 32 Cb -0.24 -4.23 -0.10 0.00 0.02 0.00 0.00 34.50 29.95 3huz s PRO 32 CO -0.03 -1.90 1.66 0.54 -0.33 0.00 0.00 177.00 176.94 3huz s VAL 33 N 7.15 2.50 -0.44 3.83 0.11 -1.26 -2.27 120.40 130.01 3huz s VAL 33 Ca 0.84 0.28 0.10 0.00 -2.93 0.00 0.00 61.98 60.26 3huz s VAL 33 Cb -0.24 -3.18 0.36 0.00 -1.53 0.00 0.00 36.38 31.79 3huz s VAL 33 CO 0.34 0.02 0.85 1.33 -3.33 0.00 0.00 175.10 174.31 3huz n VAL 34 N 4.17 1.25 0.00 2.04 0.24 0.11 -4.76 118.33 121.39 3huz n VAL 34 Ca 0.15 -4.81 0.00 0.00 -2.04 0.00 0.00 64.34 57.65 3huz n VAL 34 Cb 0.38 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 3huz n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3huz n GLN 35 N 0.01 0.00 -2.67 7.34 7.27 -1.26 -4.79 117.38 123.29 3huz n GLN 35 Ca 0.26 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.09 3huz n GLN 35 Cb 0.58 0.00 0.02 0.00 2.41 0.00 0.00 30.24 33.26 3huz n GLN 35 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3huz s ARG 36 N -4.90 2.97 -0.60 3.69 3.52 -1.26 -1.65 118.95 120.72 3huz s ARG 36 Ca 0.00 -0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.40 3huz s ARG 36 Cb 0.00 -2.41 0.31 0.00 -1.56 0.00 0.00 34.95 31.29 3huz s ARG 36 CO 0.00 -0.50 0.89 0.54 -0.81 0.00 0.00 175.30 175.42 3huz n ARG 37 N -2.34 3.04 -1.84 5.12 5.12 -1.05 -4.92 116.66 119.78 3huz n ARG 37 Ca 0.03 -4.81 -0.37 0.00 -1.93 0.00 0.00 57.85 50.77 3huz n ARG 37 Cb 0.58 -2.25 0.05 0.00 -1.16 0.00 0.00 32.46 29.68 3huz n ARG 37 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3huz s THR 38 N -3.88 2.24 0.56 0.55 -4.23 -1.26 0.18 115.64 109.80 3huz s THR 38 Ca 0.46 0.16 0.25 0.00 -1.18 0.00 0.00 61.69 61.38 3huz s THR 38 Cb 0.24 -3.07 0.34 0.00 1.34 0.00 0.00 72.50 71.35 3huz s THR 38 CO -0.10 -0.02 2.14 -0.65 -0.54 0.00 0.00 174.62 175.44 3huz h PRO 39 N 0.89 0.00 -0.15 3.99 0.11 -1.89 0.25 132.00 135.20 3huz h PRO 39 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3huz h PRO 39 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3huz h PRO 39 CO 0.55 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 3huz n GLU 40 N -4.10 1.84 0.00 1.05 0.00 -1.26 -1.37 120.64 116.79 3huz n GLU 40 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 57.16 55.91 3huz n GLU 40 Cb 0.24 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.25 3huz n GLU 40 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3huz n LYS 41 N 0.48 0.09 0.00 3.44 2.85 -0.97 -4.88 118.16 119.17 3huz n LYS 41 Ca 0.17 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 3huz n LYS 41 Cb 0.38 -0.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 3huz n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3huz n ASP 42 N -0.01 0.00 0.00 -5.58 8.00 0.77 -4.97 116.55 114.76 3huz n ASP 42 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3huz n ASP 42 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3huz n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3huz n GLY 43 N 0.57 1.25 0.00 0.44 0.00 -0.47 -4.90 105.19 102.07 3huz n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3huz n TYR 44 N -2.00 0.00 -0.14 1.61 4.11 -1.25 -4.63 117.16 114.86 3huz n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3huz n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3huz n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3huz n THR 45 N -1.59 -1.12 -3.45 -3.48 -1.04 0.48 -4.69 114.28 99.39 3huz n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3huz n THR 45 Cb 0.28 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 3huz n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3huz n ALA 46 N 0.18 0.00 -3.65 2.41 0.00 -1.23 -1.99 120.51 116.22 3huz n ALA 46 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3huz n ALA 46 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3huz n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3huz s VAL 47 N -3.00 -0.76 -0.40 0.00 1.01 -1.23 -2.52 120.40 113.50 3huz s VAL 47 Ca 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 3huz s VAL 47 Cb 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.55 3huz s VAL 47 CO 0.00 0.03 0.85 -1.58 0.00 0.00 0.00 175.10 174.40 3huz s GLN 48 N 2.66 3.69 -0.13 2.72 0.74 -0.66 -2.36 119.66 126.32 3huz s GLN 48 Ca -0.05 0.30 -0.04 0.00 0.05 0.00 0.00 55.36 55.62 3huz s GLN 48 Cb -0.12 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.11 3huz s GLN 48 CO -0.16 -0.99 0.03 -0.51 -0.55 0.00 0.00 175.29 173.11 3huz s LEU 49 N 3.36 3.72 0.00 3.68 1.02 -0.46 0.10 118.68 130.10 3huz s LEU 49 Ca 0.34 0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.63 3huz s LEU 49 Cb -0.12 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.20 3huz s LEU 49 CO 0.20 0.30 0.00 0.61 0.02 0.00 0.00 176.35 177.48 3huz n GLY 50 N 2.70 1.46 0.00 -3.19 0.00 -0.96 -0.95 105.19 104.26 3huz n GLY 50 Ca -0.18 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3huz n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3huz n PHE 51 N -0.84 0.00 -0.98 1.61 -0.00 -0.98 -4.15 117.46 112.12 3huz n PHE 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3huz n PHE 51 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3huz n PHE 51 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3huz n LEU 52 N 0.00 -1.30 -2.44 -2.13 7.94 -1.26 -3.69 117.00 114.11 3huz n LEU 52 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 3huz n LEU 52 Cb 0.00 -0.54 0.01 0.00 0.53 0.00 0.00 43.42 43.42 3huz n LEU 52 CO 0.00 0.00 -0.75 -2.65 -1.11 0.00 0.00 177.39 172.88 3huz n PRO 53 N -0.77 0.00 -0.90 1.96 -0.02 -1.26 -0.57 135.00 133.44 3huz n PRO 53 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.57 3huz n PRO 53 Cb 0.33 -0.63 -0.03 0.00 -0.02 0.00 0.00 33.50 33.15 3huz n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3huz n GLN 54 N 1.43 -1.46 0.00 -0.52 10.64 -1.26 -4.23 117.38 121.99 3huz n GLN 54 Ca -0.01 1.07 0.00 0.00 -1.83 0.00 0.00 57.00 56.23 3huz n GLN 54 Cb 0.27 -1.96 0.00 0.00 -0.86 0.00 0.00 30.24 27.68 3huz n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3huz n ASN 55 N -4.21 0.00 -4.19 2.61 4.05 -1.26 -3.79 115.26 108.47 3huz n ASN 55 Ca -0.01 0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.79 3huz n ASN 55 Cb 0.59 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 41.48 3huz n ASN 55 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3huz n PRO 56 N 0.00 0.05 -2.64 1.20 -0.02 -1.26 -4.08 135.00 128.25 3huz n PRO 56 Ca 0.00 -1.35 -0.12 0.00 -2.02 0.00 0.00 63.50 60.01 3huz n PRO 56 Cb 0.00 -3.27 -0.02 0.00 -0.02 0.00 0.00 33.50 30.19 3huz n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3huz n LYS 57 N 7.79 -1.80 0.00 -0.52 5.02 -1.26 -4.66 118.16 122.73 3huz n LYS 57 Ca 0.40 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3huz n LYS 57 Cb 0.45 -3.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.13 3huz n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3huz n ARG 58 N -2.31 0.93 0.00 1.97 1.74 -1.26 -4.65 116.66 113.09 3huz n ARG 58 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3huz n ARG 58 Cb 0.35 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 3huz n ARG 58 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3huz n VAL 59 N 0.22 0.00 -2.78 1.55 3.14 -1.26 -5.11 118.33 114.08 3huz n VAL 59 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3huz n VAL 59 Cb 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 3huz n VAL 59 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3huz n ASN 60 N 0.00 0.00 0.00 6.55 0.23 -1.26 -5.06 115.26 115.72 3huz n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3huz n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3huz n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3huz n ARG 61 N 0.00 0.00 -2.60 -3.83 0.63 -1.26 -4.13 116.66 105.47 3huz n ARG 61 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3huz n ARG 61 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 3huz n ARG 61 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3huz s PRO 62 N -0.68 4.56 -0.00 -0.14 0.04 -1.26 -4.94 135.00 132.59 3huz s PRO 62 Ca 0.00 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.67 3huz s PRO 62 Cb 0.00 -3.38 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 3huz s PRO 62 CO 0.00 -0.02 0.16 -0.11 0.04 0.00 0.00 177.00 177.07 3huz n LEU 63 N 3.35 0.09 -3.70 -3.56 7.94 -1.26 -5.01 117.00 114.85 3huz n LEU 63 Ca 0.05 -0.19 -0.21 0.00 -1.11 0.00 0.00 56.01 54.55 3huz n LEU 63 Cb 0.48 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.39 3huz n LEU 63 CO 0.53 0.02 -0.25 1.17 -1.11 0.00 0.00 177.39 177.76 3huz n LYS 64 N -1.47 -0.86 0.00 1.96 4.81 -1.26 -4.66 118.16 116.68 3huz n LYS 64 Ca -0.00 -0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.58 3huz n LYS 64 Cb 0.12 -1.93 0.73 0.00 0.02 0.00 0.00 35.03 33.96 3huz n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3huz n GLY 65 N -1.90 -1.33 0.00 3.14 0.00 -1.26 -4.35 105.19 99.49 3huz n GLY 65 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3huz n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3huz n HIS 66 N -1.33 0.00 -3.80 1.61 -0.00 -1.26 -3.85 115.22 106.58 3huz n HIS 66 Ca 0.13 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.53 3huz n HIS 66 Cb 0.26 -0.48 -0.04 0.00 -0.00 0.00 0.00 29.99 29.72 3huz n HIS 66 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3huz s PHE 67 N -4.84 3.51 0.06 1.57 0.40 -1.26 -5.03 117.98 112.39 3huz s PHE 67 Ca 0.00 0.42 -0.15 0.00 -0.60 0.00 0.00 56.93 56.60 3huz s PHE 67 Cb 0.00 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 3huz s PHE 67 CO 0.00 0.54 1.25 0.00 0.70 0.00 0.00 175.22 177.71 3huz h ALA 68 N 3.17 -0.51 0.00 5.36 0.00 -1.93 -2.61 119.26 122.74 3huz h ALA 68 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3huz h ALA 68 Cb 1.17 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3huz h ALA 68 CO 0.73 -0.63 0.55 1.63 0.00 0.00 0.00 179.25 181.52 3huz n LYS 69 N -3.93 0.01 0.04 0.00 5.02 -1.26 -1.92 118.16 116.12 3huz n LYS 69 Ca -0.02 0.35 0.21 0.00 -2.02 0.00 0.00 58.31 56.84 3huz n LYS 69 Cb 0.15 -1.67 0.64 0.00 -0.02 0.00 0.00 35.03 34.13 3huz n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3huz h ALA 70 N 0.00 2.28 0.00 7.82 0.00 -1.74 -3.45 119.26 124.18 3huz h ALA 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3huz h ALA 70 Cb 1.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3huz h ALA 70 CO 0.00 -0.96 0.00 0.41 0.00 0.00 0.00 179.25 178.70 3huz n GLY 71 N -1.53 0.00 3.10 0.00 0.00 -0.81 0.28 105.19 106.24 3huz n GLY 71 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3huz n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huz n VAL 72 N 0.00 0.00 -1.59 1.61 0.31 -1.26 -4.56 118.33 112.83 3huz n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3huz n VAL 72 Cb 0.00 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3huz n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3huz n GLU 73 N -0.33 -4.36 -3.04 5.55 4.07 0.81 -4.70 120.64 118.64 3huz n GLU 73 Ca 0.00 3.32 -0.34 0.00 -0.06 0.00 0.00 57.16 60.08 3huz n GLU 73 Cb 0.00 -3.97 -0.06 0.00 -0.06 0.00 0.00 31.44 27.35 3huz n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3huz s PRO 74 N -4.68 4.16 0.00 5.31 0.04 -1.26 -4.15 135.00 134.42 3huz s PRO 74 Ca 0.00 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.89 3huz s PRO 74 Cb 0.00 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3huz s PRO 74 CO 0.00 0.20 0.24 0.28 0.04 0.00 0.00 177.00 177.76 3huz n VAL 75 N -0.03 0.00 -0.03 -0.36 0.31 0.26 -3.24 118.33 115.24 3huz n VAL 75 Ca 0.02 0.73 -0.01 0.00 -0.01 0.00 0.00 64.34 65.07 3huz n VAL 75 Cb 0.52 -1.70 -0.00 0.00 -0.91 0.00 0.00 33.84 31.75 3huz n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3huz n ARG 76 N -0.24 0.07 0.00 5.55 1.74 -1.24 -4.82 116.66 117.72 3huz n ARG 76 Ca 0.00 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 3huz n ARG 76 Cb 0.00 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 3huz n ARG 76 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3huz n ILE 77 N 3.87 0.00 -4.42 0.55 5.41 -1.20 -4.54 119.36 119.03 3huz n ILE 77 Ca 0.01 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.56 3huz n ILE 77 Cb 0.02 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.84 3huz n ILE 77 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3huz s LEU 78 N 0.00 2.48 -0.08 1.39 2.34 -1.26 -2.32 118.68 121.23 3huz s LEU 78 Ca 0.00 -1.17 -0.11 0.00 0.06 0.00 0.00 54.13 52.91 3huz s LEU 78 Cb 0.00 -0.63 0.02 0.00 -0.56 0.00 0.00 46.19 45.02 3huz s LEU 78 CO 0.00 -0.33 0.28 -0.13 -1.06 0.00 0.00 176.35 175.11 3huz s ARG 79 N -3.72 0.42 0.65 1.48 3.00 -0.12 -4.96 118.95 115.69 3huz s ARG 79 Ca 0.29 0.21 -0.08 0.00 0.00 0.00 0.00 55.73 56.15 3huz s ARG 79 Cb 0.03 0.19 0.02 0.00 0.00 0.00 0.00 34.95 35.19 3huz s ARG 79 CO 0.11 -0.08 0.99 -1.21 0.00 0.00 0.00 175.30 175.12 3huz s GLU 80 N -0.28 2.84 0.00 3.54 2.02 -1.26 -1.35 118.70 124.20 3huz s GLU 80 Ca -0.04 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.12 3huz s GLU 80 Cb -0.03 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.04 3huz s GLU 80 CO 0.01 -0.88 0.52 -0.89 0.02 0.00 0.00 175.26 174.05 3huz n ILE 81 N -2.78 0.27 -1.13 -1.63 2.08 -0.99 -4.90 119.36 110.28 3huz n ILE 81 Ca 0.06 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 62.97 3huz n ILE 81 Cb 0.58 1.09 0.00 0.00 -0.75 0.00 0.00 39.64 40.56 3huz n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3huz n ARG 82 N -0.14 -0.86 -4.40 0.38 5.12 -1.26 -4.50 116.66 111.00 3huz n ARG 82 Ca 0.00 0.65 -0.38 0.00 -1.93 0.00 0.00 57.85 56.19 3huz n ARG 82 Cb 0.25 -1.15 -0.07 0.00 -1.16 0.00 0.00 32.46 30.33 3huz n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3huz n ASP 83 N -1.10 -1.30 -3.72 0.55 8.00 -0.84 -4.81 116.55 113.32 3huz n ASP 83 Ca 0.00 -1.20 -0.14 0.00 0.71 0.00 0.00 54.79 54.15 3huz n ASP 83 Cb 0.01 -1.88 -0.15 0.00 -0.02 0.00 0.00 41.12 39.08 3huz n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3huz s PHE 84 N -3.58 -0.19 -0.27 1.24 5.99 -1.26 -3.04 117.98 116.87 3huz s PHE 84 Ca 0.57 0.56 -0.04 0.00 0.00 0.00 0.00 56.93 58.02 3huz s PHE 84 Cb -0.33 -0.12 0.09 0.00 0.00 0.00 0.00 43.02 42.66 3huz s PHE 84 CO 1.00 -0.21 0.11 1.21 -0.00 0.00 0.00 175.22 177.33 3huz s ASN 85 N 1.55 3.35 0.73 6.13 3.84 -1.26 -3.52 114.94 125.76 3huz s ASN 85 Ca -0.05 -1.18 -0.04 0.00 0.21 0.00 0.00 52.86 51.80 3huz s ASN 85 Cb -0.12 -0.40 0.12 0.00 -0.55 0.00 0.00 41.25 40.30 3huz s ASN 85 CO -0.06 -0.41 1.02 -2.16 -2.79 0.00 0.00 177.10 172.69 3huz s PRO 86 N 2.04 1.70 -1.12 0.43 0.04 -1.26 -4.93 135.00 131.89 3huz s PRO 86 Ca 0.07 -0.85 -0.18 0.00 0.04 0.00 0.00 61.00 60.08 3huz s PRO 86 Cb -0.16 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.07 3huz s PRO 86 CO -0.29 -1.47 2.06 -0.85 0.04 0.00 0.00 177.00 176.48 3huz n GLU 87 N -2.93 2.19 0.00 4.56 0.28 -1.26 -4.82 120.64 118.66 3huz n GLU 87 Ca 0.13 -2.28 0.00 0.00 -0.16 0.00 0.00 57.16 54.86 3huz n GLU 87 Cb 0.60 -3.14 0.00 0.00 1.43 0.00 0.00 31.44 30.33 3huz n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3huz n GLY 88 N 4.42 0.00 2.71 -1.84 0.00 -1.26 -4.73 105.19 104.49 3huz n GLY 88 Ca 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.46 3huz n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3huz n ASP 89 N 0.00 -2.03 -0.71 1.61 2.03 -1.26 -5.00 116.55 111.18 3huz n ASP 89 Ca 0.00 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.47 3huz n ASP 89 Cb 0.00 1.52 0.00 0.00 -0.72 0.00 0.00 41.12 41.92 3huz n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3huz n THR 90 N 0.89 -1.61 -4.84 5.18 -1.04 -1.26 -4.90 114.28 106.70 3huz n THR 90 Ca 0.03 0.74 -0.26 0.00 -2.04 0.00 0.00 64.05 62.52 3huz n THR 90 Cb 0.70 -1.17 -0.16 0.00 -1.82 0.00 0.00 70.33 67.88 3huz n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3huz s VAL 91 N -4.29 1.43 0.04 12.58 1.01 0.46 -4.82 120.40 126.81 3huz s VAL 91 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3huz s VAL 91 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3huz s VAL 91 CO 0.00 0.41 -0.03 0.42 0.00 0.00 0.00 175.10 175.91 3huz s THR 92 N -0.01 0.18 0.25 3.92 -4.23 -1.26 -0.05 115.64 114.44 3huz s THR 92 Ca -0.03 -1.52 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 3huz s THR 92 Cb -0.11 -1.13 0.11 0.00 1.34 0.00 0.00 72.50 72.70 3huz s THR 92 CO 0.02 -0.84 0.48 0.52 -0.54 0.00 0.00 174.62 174.26 3huz n VAL 93 N 0.56 0.00 -0.52 2.29 0.31 -1.24 -0.96 118.33 118.77 3huz n VAL 93 Ca -0.17 0.47 0.43 0.00 -0.01 0.00 0.00 64.34 65.06 3huz n VAL 93 Cb 0.59 -0.87 0.76 0.00 -0.91 0.00 0.00 33.84 33.42 3huz n VAL 93 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3huz h GLU 94 N 0.00 0.03 -0.58 5.55 5.08 -1.95 -1.64 114.58 121.06 3huz h GLU 94 Ca 0.13 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3huz h GLU 94 Cb 1.06 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.19 3huz h GLU 94 CO -0.00 0.02 -0.42 0.82 -1.00 0.00 0.00 179.01 178.43 3huz h ILE 95 N 0.03 0.10 -2.99 3.13 5.03 -1.45 -3.42 117.51 117.93 3huz h ILE 95 Ca 0.77 0.00 -0.61 0.00 -0.12 0.00 0.00 64.86 64.90 3huz h ILE 95 Cb 2.98 0.10 -0.06 0.00 -3.03 0.00 0.00 36.82 36.81 3huz h ILE 95 CO -0.08 0.00 -0.23 -0.36 -0.68 0.00 0.00 178.15 176.80 3huz s PHE 96 N -5.86 3.70 -0.20 1.37 0.08 -0.62 -5.09 117.98 111.36 3huz s PHE 96 Ca -0.14 0.93 -0.07 0.00 0.12 0.00 0.00 56.93 57.77 3huz s PHE 96 Cb 0.14 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 3huz s PHE 96 CO 0.67 0.63 0.05 0.15 -0.10 0.00 0.00 175.22 176.61 3huz s LYS 97 N -0.97 3.81 -0.05 0.44 -0.14 -1.26 -4.98 119.74 116.59 3huz s LYS 97 Ca 0.23 -0.42 -0.39 0.00 -1.36 0.00 0.00 55.97 54.02 3huz s LYS 97 Cb -0.16 -3.20 -0.18 0.00 -1.68 0.00 0.00 37.83 32.61 3huz s LYS 97 CO 0.12 0.11 1.31 -2.30 -0.76 0.00 0.00 175.35 173.83 3huz n PRO 98 N 4.01 0.59 0.00 -1.68 -0.02 -1.26 -2.23 135.00 134.40 3huz n PRO 98 Ca -0.17 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3huz n PRO 98 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3huz n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huz n GLY 99 N 2.48 1.15 0.00 -1.23 0.00 0.35 -4.99 105.19 102.95 3huz n GLY 99 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3huz n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huz n GLU 100 N -0.45 0.34 -3.79 1.61 1.02 -0.95 -4.74 120.64 113.67 3huz n GLU 100 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3huz n GLU 100 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 3huz n GLU 100 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3huz s ARG 101 N -1.50 0.12 0.16 3.49 1.81 -1.26 -2.85 118.95 118.92 3huz s ARG 101 Ca 0.00 0.25 0.01 0.00 -1.72 0.00 0.00 55.73 54.27 3huz s ARG 101 Cb 0.00 -0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.41 3huz s ARG 101 CO 0.00 -0.08 0.01 0.14 -0.68 0.00 0.00 175.30 174.69 3huz s VAL 102 N 0.55 0.56 -0.24 3.52 -7.23 -0.44 -2.77 120.40 114.34 3huz s VAL 102 Ca -0.04 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 3huz s VAL 102 Cb -0.06 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.83 3huz s VAL 102 CO -0.02 -0.51 -0.04 -1.81 -0.31 0.00 0.00 175.10 172.40 3huz s ASP 103 N -3.14 4.35 -0.21 4.85 1.01 0.93 -0.15 116.67 124.32 3huz s ASP 103 Ca 0.23 -0.71 -0.09 0.00 0.71 0.00 0.00 52.55 52.69 3huz s ASP 103 Cb 0.06 -1.70 -0.05 0.00 1.01 0.00 0.00 42.92 42.24 3huz s ASP 103 CO 0.03 -0.10 0.12 -0.69 0.21 0.00 0.00 175.17 174.74 3huz s VAL 104 N 1.39 5.23 -0.14 -1.27 1.01 -0.83 -2.32 120.40 123.47 3huz s VAL 104 Ca 0.02 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 3huz s VAL 104 Cb -0.16 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3huz s VAL 104 CO -0.04 0.42 0.07 -0.89 0.00 0.00 0.00 175.10 174.67 3huz s THR 105 N 0.56 4.92 0.00 3.92 2.01 -1.22 -2.05 115.64 123.78 3huz s THR 105 Ca 0.07 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3huz s THR 105 Cb -0.12 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3huz s THR 105 CO 0.00 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 3huz n GLY 106 N 2.76 5.42 2.58 4.40 0.00 0.97 -2.72 105.19 118.60 3huz n GLY 106 Ca -0.18 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 3huz n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3huz n THR 107 N 0.00 -0.56 -0.48 2.61 -1.04 -1.26 -2.76 114.28 110.80 3huz n THR 107 Ca 0.00 -2.18 -0.18 0.00 -2.04 0.00 0.00 64.05 59.66 3huz n THR 107 Cb 0.00 -0.23 -0.02 0.00 -1.82 0.00 0.00 70.33 68.26 3huz n THR 107 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3huz n SER 108 N 2.79 -0.17 -4.65 8.00 3.41 -0.78 -4.23 113.62 117.99 3huz n SER 108 Ca 0.23 0.37 -0.47 0.00 -0.26 0.00 0.00 58.87 58.75 3huz n SER 108 Cb 0.53 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 3huz n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3huz n LYS 109 N 0.42 1.92 -2.47 4.33 5.02 -1.26 -0.77 118.16 125.35 3huz n LYS 109 Ca 0.06 0.69 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 3huz n LYS 109 Cb 0.05 -2.39 -0.02 0.00 -0.02 0.00 0.00 35.03 32.64 3huz n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3huz s GLY 110 N 0.62 1.45 0.00 0.72 0.00 -1.26 -3.51 107.32 105.34 3huz s GLY 110 Ca 0.76 0.10 0.22 0.00 0.00 0.00 0.00 44.72 45.80 3huz s GLY 110 CO 0.43 2.51 1.73 0.54 0.00 0.00 0.00 173.10 178.31 3huz n ARG 111 N 7.14 1.28 0.00 2.90 3.00 0.11 -4.80 116.66 126.30 3huz n ARG 111 Ca 0.14 -0.42 0.00 0.00 -0.01 0.00 0.00 57.85 57.56 3huz n ARG 111 Cb 0.46 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.56 3huz n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3huz n GLY 112 N 0.96 -1.87 2.82 -0.13 0.00 -1.21 -4.24 105.19 101.52 3huz n GLY 112 Ca 0.16 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 3huz n GLY 112 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3huz n PHE 113 N 0.00 2.77 -2.18 1.61 -0.00 -1.26 -1.30 117.46 117.10 3huz n PHE 113 Ca 0.00 -2.53 -0.42 0.00 -0.00 0.00 0.00 57.45 54.50 3huz n PHE 113 Cb 0.00 -2.21 -0.03 0.00 -0.00 0.00 0.00 39.48 37.24 3huz n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3huz s ALA 114 N 3.77 3.58 1.00 3.13 0.00 -1.23 -4.68 121.76 127.33 3huz s ALA 114 Ca 0.52 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 3huz s ALA 114 Cb 0.14 -3.53 0.20 0.00 0.00 0.00 0.00 23.12 19.93 3huz s ALA 114 CO -0.01 -0.61 1.21 0.20 0.00 0.00 0.00 175.76 176.56 3huz s GLY 115 N 1.05 1.67 0.61 0.00 0.00 -1.26 -2.37 107.32 107.02 3huz s GLY 115 Ca 0.64 -0.93 -0.17 0.00 0.00 0.00 0.00 44.72 44.26 3huz s GLY 115 CO 0.31 -0.21 1.12 0.54 0.00 0.00 0.00 173.10 174.86 3huz s VAL 116 N -3.50 3.19 0.00 1.40 0.11 -1.26 -2.41 120.40 117.94 3huz s VAL 116 Ca 0.70 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 60.38 3huz s VAL 116 Cb -0.08 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 3huz s VAL 116 CO 0.53 -0.27 0.00 0.80 -3.33 0.00 0.00 175.10 172.83 3huz n MET 117 N -1.96 0.00 0.00 1.54 0.00 -1.26 -4.65 117.12 110.79 3huz n MET 117 Ca 0.11 0.47 0.00 0.00 -0.00 0.00 0.00 57.70 58.28 3huz n MET 117 Cb 0.51 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.31 3huz n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3huz n LYS 118 N -0.84 0.00 0.00 2.12 4.81 -1.26 -4.79 118.16 118.21 3huz n LYS 118 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3huz n LYS 118 Cb 0.36 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.41 3huz n LYS 118 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3huz n ARG 119 N 0.00 0.00 -0.26 1.64 5.12 -1.01 -4.27 116.66 117.88 3huz n ARG 119 Ca 0.00 0.03 0.12 0.00 -1.93 0.00 0.00 57.85 56.07 3huz n ARG 119 Cb 0.00 -0.96 0.26 0.00 -1.16 0.00 0.00 32.46 30.60 3huz n ARG 119 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3huz n TRP 120 N -0.49 0.68 -0.96 -1.55 7.02 -1.26 -4.98 117.44 115.90 3huz n TRP 120 Ca 0.00 -0.35 0.00 0.00 -1.02 0.00 0.00 57.50 56.13 3huz n TRP 120 Cb 0.00 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3huz n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3huz n ASN 121 N 1.56 -3.44 -4.27 -0.99 4.13 -1.26 -4.78 115.26 106.21 3huz n ASN 121 Ca 0.21 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 56.09 3huz n ASN 121 Cb 0.61 -1.57 0.02 0.00 -1.54 0.00 0.00 39.78 37.31 3huz n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3huz n PHE 122 N -2.49 -2.66 1.42 3.10 3.01 -1.26 -4.78 117.46 113.80 3huz n PHE 122 Ca 0.00 0.40 0.15 0.00 1.01 0.00 0.00 57.45 59.01 3huz n PHE 122 Cb 0.16 -1.72 0.75 0.00 -0.01 0.00 0.00 39.48 38.67 3huz n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3huz n ALA 123 N -1.68 2.46 -0.91 4.37 0.00 -1.26 -4.46 120.51 119.03 3huz n ALA 123 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3huz n ALA 123 Cb 0.48 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3huz n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huz n GLY 124 N 1.21 2.08 3.37 0.00 0.00 -1.26 -4.89 105.19 105.69 3huz n GLY 124 Ca 0.14 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 3huz n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huz s GLY 125 N -1.26 1.35 -0.90 -0.02 0.00 -0.04 -4.89 107.32 101.56 3huz s GLY 125 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 42.91 3huz s GLY 125 CO 0.00 -1.14 2.49 -1.05 0.00 0.00 0.00 173.10 173.40 3huz n PRO 126 N -0.41 0.00 0.21 2.90 -0.02 -1.26 -4.68 135.00 131.75 3huz n PRO 126 Ca 0.02 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.57 3huz n PRO 126 Cb 0.64 -1.40 0.42 0.00 -0.02 0.00 0.00 33.50 33.13 3huz n PRO 126 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3huz h ASP 127 N 11.03 0.00 -2.56 2.55 5.19 -1.90 -3.38 116.42 127.34 3huz h ASP 127 Ca -0.05 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.24 3huz h ASP 127 Cb 1.23 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.71 3huz h ASP 127 CO 1.28 0.00 -0.07 -1.54 -3.12 0.00 0.00 179.24 175.79 3huz n SER 128 N -2.25 -0.48 0.00 6.45 3.41 -1.26 -4.96 113.62 114.53 3huz n SER 128 Ca -0.01 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 3huz n SER 128 Cb 0.41 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 3huz n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3huz n HIS 129 N -0.22 0.00 -1.77 7.33 8.25 -1.26 -4.71 115.22 122.84 3huz n HIS 129 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 3huz n HIS 129 Cb 0.22 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3huz n HIS 129 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3huz s GLY 130 N 0.00 0.06 0.00 -1.41 0.00 -1.26 -4.97 107.32 99.74 3huz s GLY 130 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.69 3huz s GLY 130 CO 0.00 3.76 0.00 0.00 0.00 0.00 0.00 173.10 176.86 3huz n ALA 131 N 13.59 0.00 0.00 3.20 0.00 -1.26 -4.77 120.51 131.27 3huz n ALA 131 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3huz n ALA 131 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3huz n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3huz n HIS 132 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.11 115.22 109.85 3huz n HIS 132 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3huz n HIS 132 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3huz n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3huz n LYS 133 N 0.00 0.00 -2.75 1.57 5.02 -1.26 -5.10 118.16 115.65 3huz n LYS 133 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3huz n LYS 133 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 3huz n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3huz n ILE 134 N 0.00 0.23 0.04 -0.18 -0.00 -1.26 -4.95 119.36 113.24 3huz n ILE 134 Ca 0.00 -2.21 -0.10 0.00 -0.00 0.00 0.00 62.75 60.44 3huz n ILE 134 Cb 0.00 0.88 0.02 0.00 -0.00 0.00 0.00 39.64 40.54 3huz n ILE 134 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 3huz h HIS 135 N 2.54 0.60 -0.08 4.28 3.86 -1.90 -3.25 115.15 121.20 3huz h HIS 135 Ca -0.16 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 58.77 3huz h HIS 135 Cb 1.20 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 3huz h HIS 135 CO 0.29 1.02 -0.08 0.54 0.86 0.00 0.00 177.93 180.56 3huz n ARG 136 N -3.85 1.70 -1.81 2.45 1.74 -1.26 -0.86 116.66 114.77 3huz n ARG 136 Ca -0.04 -2.79 -0.29 0.00 -0.77 0.00 0.00 57.85 53.95 3huz n ARG 136 Cb 0.71 -1.61 0.09 0.00 -1.02 0.00 0.00 32.46 30.62 3huz n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3huz s HIS 137 N -2.95 2.91 -0.19 -1.55 3.76 -1.23 -4.83 115.29 111.21 3huz s HIS 137 Ca 0.36 0.84 0.19 0.00 -0.15 0.00 0.00 55.06 56.30 3huz s HIS 137 Cb 0.32 -3.39 -0.01 0.00 1.11 0.00 0.00 32.58 30.60 3huz s HIS 137 CO 0.02 -1.80 1.08 -1.00 -0.85 0.00 0.00 174.74 172.19 3huz h PRO 138 N -1.09 0.00 0.00 8.40 0.13 -1.93 -3.36 132.00 134.16 3huz h PRO 138 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3huz h PRO 138 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3huz h PRO 138 CO 0.64 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 3huz n GLY 139 N 1.27 0.56 3.83 1.56 0.00 -1.26 -4.87 105.19 106.28 3huz n GLY 139 Ca -0.03 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 3huz n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3huz s SER 140 N -4.00 6.93 -0.03 1.61 0.15 -1.26 -5.01 113.70 112.09 3huz s SER 140 Ca 0.00 1.33 0.02 0.00 0.70 0.00 0.00 55.95 58.00 3huz s SER 140 Cb 0.00 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 3huz s SER 140 CO 0.00 -0.05 0.00 2.30 1.20 0.00 0.00 173.24 176.69 3huz n ILE 141 N 0.33 0.20 0.00 6.45 -5.35 -1.26 -5.10 119.36 114.63 3huz n ILE 141 Ca -0.00 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3huz n ILE 141 Cb 0.52 -0.87 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 3huz n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3huz n GLY 142 N 2.92 4.87 0.00 3.28 0.00 -1.26 -4.79 105.19 110.20 3huz n GLY 142 Ca -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3huz n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3huz n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.14 115.26 115.50 3huz n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3huz n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3huz n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3huz n ARG 144 N 0.00 1.54 -0.23 3.52 5.12 -1.26 -4.97 116.66 120.39 3huz n ARG 144 Ca 0.00 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3huz n ARG 144 Cb 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.36 3huz n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3huz h LYS 145 N 0.00 -0.02 -5.33 5.56 1.79 -2.02 -2.02 116.57 114.54 3huz h LYS 145 Ca 0.00 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.81 3huz h LYS 145 Cb 0.00 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.38 3huz h LYS 145 CO 0.00 -0.01 -0.78 0.95 -1.08 0.00 0.00 179.45 178.53 3huz s THR 146 N -6.21 2.92 -0.08 -0.16 -4.23 -1.26 -0.98 115.64 105.64 3huz s THR 146 Ca -0.14 -0.71 0.30 0.00 -1.18 0.00 0.00 61.69 59.96 3huz s THR 146 Cb 0.20 -2.21 0.34 0.00 1.34 0.00 0.00 72.50 72.16 3huz s THR 146 CO 0.74 0.53 1.90 1.55 -0.54 0.00 0.00 174.62 178.80 3huz h PRO 147 N 6.69 0.00 -3.86 3.99 0.13 -1.98 -3.46 132.00 133.51 3huz h PRO 147 Ca -0.25 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.56 3huz h PRO 147 Cb 1.22 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.41 3huz h PRO 147 CO 0.54 0.00 -0.50 0.41 -0.23 0.00 0.00 178.00 178.23 3huz n GLY 148 N -0.10 -0.28 3.73 1.56 0.00 -0.15 -4.97 105.19 104.98 3huz n GLY 148 Ca 0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3huz n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3huz s ARG 149 N -5.56 1.66 -0.09 1.61 1.70 -1.26 -5.01 118.95 112.00 3huz s ARG 149 Ca 0.28 -1.03 -0.02 0.00 -0.47 0.00 0.00 55.73 54.48 3huz s ARG 149 Cb -0.12 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 3huz s ARG 149 CO 0.34 -0.74 0.01 0.08 -1.08 0.00 0.00 175.30 173.91 3huz s VAL 150 N -3.94 4.34 1.18 4.99 1.01 -1.26 -4.72 120.40 122.00 3huz s VAL 150 Ca 0.14 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3huz s VAL 150 Cb -0.04 -2.84 0.24 0.00 0.00 0.00 0.00 36.38 33.75 3huz s VAL 150 CO 0.06 0.59 0.52 -1.22 0.00 0.00 0.00 175.10 175.06 3huz n TYR 151 N 2.27 -2.71 -0.12 5.22 4.01 -1.26 -5.00 117.16 119.58 3huz n TYR 151 Ca -0.18 -0.27 -0.26 0.00 -0.16 0.00 0.00 57.90 57.03 3huz n TYR 151 Cb 0.54 -1.40 -0.11 0.00 -0.31 0.00 0.00 39.34 38.06 3huz n TYR 151 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3huz n LYS 152 N -3.29 0.59 0.01 -0.72 3.00 -1.26 -4.19 118.16 112.29 3huz n LYS 152 Ca 0.08 0.39 0.06 0.00 -0.00 0.00 0.00 58.31 58.84 3huz n LYS 152 Cb 0.46 -1.61 0.25 0.00 0.00 0.00 0.00 35.03 34.13 3huz n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3huz n GLY 153 N 1.39 -0.89 0.07 3.14 0.00 -1.26 -4.89 105.19 102.76 3huz n GLY 153 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 3huz n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3huz n LYS 154 N -1.57 0.00 -3.33 1.61 3.00 -1.26 -4.87 118.16 111.74 3huz n LYS 154 Ca 0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.94 3huz n LYS 154 Cb 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 35.03 35.05 3huz n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3huz s LYS 155 N -0.00 4.08 0.12 1.64 1.02 -1.26 -5.04 119.74 120.30 3huz s LYS 155 Ca 0.02 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.20 3huz s LYS 155 Cb -0.03 -3.62 -0.00 0.00 -0.52 0.00 0.00 37.83 33.66 3huz s LYS 155 CO 0.01 -0.24 0.16 -1.33 -0.92 0.00 0.00 175.35 173.03 3huz n MET 156 N 5.18 0.23 0.00 1.68 2.81 -1.26 -5.06 117.12 120.70 3huz n MET 156 Ca -0.07 -1.05 0.00 0.00 -1.81 0.00 0.00 57.70 54.77 3huz n MET 156 Cb 0.50 0.97 0.00 0.00 -0.71 0.00 0.00 33.22 33.99 3huz n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3huz n ALA 157 N -2.17 0.00 0.00 3.04 0.00 -1.26 -4.61 120.51 115.51 3huz n ALA 157 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3huz n ALA 157 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3huz n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huz n GLY 158 N 0.00 3.54 2.55 0.00 0.00 -1.00 -4.89 105.19 105.39 3huz n GLY 158 Ca 0.00 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 43.92 3huz n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3huz n HIS 159 N -0.74 1.18 -4.30 1.61 -0.00 -1.26 -3.56 115.22 108.15 3huz n HIS 159 Ca 0.00 0.77 -0.30 0.00 -0.00 0.00 0.00 57.72 58.19 3huz n HIS 159 Cb 0.00 -1.54 -0.17 0.00 -0.00 0.00 0.00 29.99 28.29 3huz n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3huz s TYR 160 N 2.22 2.14 0.00 1.57 6.04 -0.42 -4.90 117.35 124.00 3huz s TYR 160 Ca 0.73 -1.10 0.00 0.00 0.04 0.00 0.00 57.07 56.74 3huz s TYR 160 Cb -1.03 -1.54 0.00 0.00 -1.04 0.00 0.00 41.96 38.35 3huz s TYR 160 CO 0.56 -0.57 0.00 0.41 -1.54 0.00 0.00 175.55 174.40 3huz n GLY 161 N 4.42 0.64 3.62 8.97 0.00 -1.26 0.09 105.19 121.67 3huz n GLY 161 Ca -0.18 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 3huz n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huz n ALA 162 N 0.55 -1.00 -2.36 4.61 0.00 0.05 -4.83 120.51 117.54 3huz n ALA 162 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 3huz n ALA 162 Cb 0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 3huz n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3huz s GLU 163 N -5.84 1.38 0.34 0.00 -1.05 -1.25 -4.92 118.70 107.37 3huz s GLU 163 Ca 0.53 -1.67 -0.29 0.00 -0.15 0.00 0.00 54.97 53.39 3huz s GLU 163 Cb -0.31 -0.89 -0.11 0.00 -0.44 0.00 0.00 34.13 32.38 3huz s GLU 163 CO 0.65 0.02 1.44 0.50 0.95 0.00 0.00 175.26 178.82 3huz s ARG 164 N -3.76 4.20 -0.07 -4.83 3.52 -1.26 -1.86 118.95 114.89 3huz s ARG 164 Ca 0.26 2.43 -0.07 0.00 -0.13 0.00 0.00 55.73 58.23 3huz s ARG 164 Cb 0.04 -3.02 0.02 0.00 -1.56 0.00 0.00 34.95 30.42 3huz s ARG 164 CO 0.08 -0.42 0.19 0.08 -0.81 0.00 0.00 175.30 174.43 3huz s VAL 165 N -0.90 0.00 -0.21 7.11 1.01 -1.11 -4.83 120.40 121.48 3huz s VAL 165 Ca 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 3huz s VAL 165 Cb -0.44 -0.29 0.06 0.00 0.00 0.00 0.00 36.38 35.71 3huz s VAL 165 CO 0.56 -0.02 0.01 -0.89 0.00 0.00 0.00 175.10 174.76 3huz s THR 166 N 0.04 0.88 0.11 3.92 2.01 -1.26 -0.02 115.64 121.33 3huz s THR 166 Ca -0.01 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 3huz s THR 166 Cb -0.02 -1.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.11 3huz s THR 166 CO 0.00 -0.18 0.57 0.54 -0.69 0.00 0.00 174.62 174.87 3huz s VAL 167 N 1.69 4.77 0.30 3.82 0.11 -0.87 -4.98 120.40 125.25 3huz s VAL 167 Ca -0.03 1.07 0.10 0.00 -2.93 0.00 0.00 61.98 60.19 3huz s VAL 167 Cb -0.18 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.79 3huz s VAL 167 CO -0.08 0.41 -0.02 -0.04 -3.33 0.00 0.00 175.10 172.04 3huz s MET 168 N -1.51 2.12 -1.22 1.54 -1.94 -1.26 -1.96 119.30 115.08 3huz s MET 168 Ca 0.33 -1.61 -0.34 0.00 -1.71 0.00 0.00 55.69 52.36 3huz s MET 168 Cb -0.17 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 34.70 3huz s MET 168 CO 0.19 0.25 0.68 -1.71 -0.01 0.00 0.00 175.02 174.43 3huz n ASN 169 N -0.89 -4.12 -4.87 3.03 4.05 -0.98 -4.94 115.26 106.54 3huz n ASN 169 Ca -0.05 -1.30 -0.33 0.00 0.45 0.00 0.00 54.58 53.36 3huz n ASN 169 Cb 0.61 -1.72 -0.05 0.00 1.23 0.00 0.00 39.78 39.84 3huz n ASN 169 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3huz s LEU 170 N -7.45 4.22 0.27 1.20 1.02 0.79 -4.77 118.68 113.96 3huz s LEU 170 Ca 0.49 0.96 -0.19 0.00 0.02 0.00 0.00 54.13 55.41 3huz s LEU 170 Cb -0.27 -3.56 -0.09 0.00 0.02 0.00 0.00 46.19 42.30 3huz s LEU 170 CO 0.97 -0.02 0.76 -0.70 0.02 0.00 0.00 176.35 177.38 3huz s GLU 171 N -2.57 4.23 -0.37 1.70 2.12 -1.26 -1.33 118.70 121.21 3huz s GLU 171 Ca 0.45 0.88 -0.06 0.00 0.36 0.00 0.00 54.97 56.60 3huz s GLU 171 Cb -0.12 -2.73 0.07 0.00 0.26 0.00 0.00 34.13 31.60 3huz s GLU 171 CO 0.20 0.31 0.16 0.08 -0.54 0.00 0.00 175.26 175.48 3huz s VAL 172 N -1.67 3.73 0.52 3.70 1.01 -1.13 -3.12 120.40 123.44 3huz s VAL 172 Ca 0.47 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3huz s VAL 172 Cb -0.15 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3huz s VAL 172 CO 0.20 -0.38 0.75 0.68 0.00 0.00 0.00 175.10 176.35 3huz s VAL 173 N 1.34 3.10 0.00 2.92 -7.23 0.41 0.13 120.40 121.07 3huz s VAL 173 Ca 0.01 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3huz s VAL 173 Cb -0.21 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.56 3huz s VAL 173 CO 0.01 -0.12 0.00 -0.67 -0.31 0.00 0.00 175.10 174.01 3huz n ASP 174 N -2.28 0.00 -4.12 4.85 4.64 -1.26 -3.69 116.55 114.69 3huz n ASP 174 Ca 0.06 0.00 -0.28 0.00 -1.38 0.00 0.00 54.79 53.18 3huz n ASP 174 Cb 0.59 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.50 3huz n ASP 174 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3huz s VAL 175 N 0.00 1.60 -0.90 5.18 -7.23 -1.26 -2.52 120.40 115.27 3huz s VAL 175 Ca 0.00 -0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 59.26 3huz s VAL 175 Cb 0.00 -1.42 0.17 0.00 0.56 0.00 0.00 36.38 35.70 3huz s VAL 175 CO 0.00 0.46 0.98 -0.63 -0.31 0.00 0.00 175.10 175.60 3huz s ILE 176 N 0.54 5.15 -0.76 -0.62 1.09 -0.77 -4.87 121.20 120.96 3huz s ILE 176 Ca -0.16 -2.04 0.02 0.00 -1.10 0.00 0.00 60.65 57.37 3huz s ILE 176 Cb -0.17 -4.65 0.02 0.00 -1.06 0.00 0.00 42.46 36.61 3huz s ILE 176 CO 0.06 -1.30 0.98 -0.81 -0.10 0.00 0.00 174.94 173.77 3huz n PRO 177 N 5.31 0.01 0.05 2.79 -0.04 -1.26 -2.15 135.00 139.72 3huz n PRO 177 Ca 0.20 0.44 -0.04 0.00 -0.04 0.00 0.00 63.50 64.05 3huz n PRO 177 Cb 0.48 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 3huz n PRO 177 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3huz h GLU 178 N 0.00 -0.22 -1.01 0.54 4.57 -1.94 -3.35 114.58 113.16 3huz h GLU 178 Ca 0.00 0.02 -0.58 0.00 -1.18 0.00 0.00 59.36 57.61 3huz h GLU 178 Cb 0.17 0.05 -0.29 0.00 -0.16 0.00 0.00 28.75 28.52 3huz h GLU 178 CO 0.00 -0.10 0.75 0.39 -1.18 0.00 0.00 179.01 178.87 3huz n GLU 179 N -4.93 2.42 -4.14 1.92 4.71 -0.94 -4.90 120.64 114.79 3huz n GLU 179 Ca -0.03 -3.07 -0.36 0.00 -0.01 0.00 0.00 57.16 53.68 3huz n GLU 179 Cb 0.11 -2.20 -0.07 0.00 -1.01 0.00 0.00 31.44 28.27 3huz n GLU 179 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3huz n ASN 180 N -1.00 -1.26 -4.88 1.62 3.02 -0.91 -4.88 115.26 106.97 3huz n ASN 180 Ca 0.60 -1.09 -0.32 0.00 -0.03 0.00 0.00 54.58 53.74 3huz n ASN 180 Cb 1.19 -1.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 3huz n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3huz s LEU 181 N -6.48 4.22 -0.01 3.41 1.02 -1.02 -2.10 118.68 117.72 3huz s LEU 181 Ca 0.63 0.83 0.03 0.00 0.02 0.00 0.00 54.13 55.63 3huz s LEU 181 Cb -0.37 -3.51 -0.00 0.00 0.02 0.00 0.00 46.19 42.33 3huz s LEU 181 CO 0.89 -0.01 -0.09 -0.22 0.02 0.00 0.00 176.35 176.94 3huz s LEU 182 N -2.67 1.94 -0.24 1.79 2.96 0.15 -1.85 118.68 120.76 3huz s LEU 182 Ca 0.44 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3huz s LEU 182 Cb -0.12 -0.47 0.04 0.00 0.50 0.00 0.00 46.19 46.14 3huz s LEU 182 CO 0.22 0.09 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.47 3huz s LEU 183 N -0.08 3.06 0.36 -0.68 1.02 -1.05 -1.36 118.68 119.95 3huz s LEU 183 Ca 0.01 -1.05 0.04 0.00 0.02 0.00 0.00 54.13 53.16 3huz s LEU 183 Cb -0.05 -1.57 -0.06 0.00 0.02 0.00 0.00 46.19 44.53 3huz s LEU 183 CO -0.00 -0.13 0.05 0.68 0.02 0.00 0.00 176.35 176.97 3huz s VAL 184 N 1.22 1.34 0.00 -1.59 -7.23 -1.06 -0.45 120.40 112.63 3huz s VAL 184 Ca -0.03 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 3huz s VAL 184 Cb -0.17 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 3huz s VAL 184 CO -0.07 0.00 1.13 0.29 -0.31 0.00 0.00 175.10 176.14 3huz n LYS 185 N -0.80 0.44 0.00 4.82 4.76 -1.18 -0.26 118.16 125.94 3huz n LYS 185 Ca -0.04 -0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 3huz n LYS 185 Cb 0.67 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 3huz n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3huz n GLY 186 N 2.72 0.00 0.00 0.72 0.00 -1.18 -4.65 105.19 102.81 3huz n GLY 186 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3huz n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huz n ALA 187 N 0.29 2.24 -1.91 4.61 0.00 -1.26 -4.69 120.51 119.79 3huz n ALA 187 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 3huz n ALA 187 Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 3huz n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huz s VAL 188 N -2.00 2.89 0.00 0.00 0.11 -1.26 -4.89 120.40 115.25 3huz s VAL 188 Ca 0.18 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 60.00 3huz s VAL 188 Cb 0.08 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 3huz s VAL 188 CO 0.14 0.13 0.00 -0.81 -3.33 0.00 0.00 175.10 171.23 3huz n PRO 189 N 2.18 2.40 -0.88 1.54 -0.04 -1.26 -5.00 135.00 133.94 3huz n PRO 189 Ca 0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 3huz n PRO 189 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 3huz n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3huz n GLY 190 N 1.16 -1.18 3.82 0.55 0.00 -1.26 -4.85 105.19 103.42 3huz n GLY 190 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3huz n GLY 190 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3huz s PRO 191 N -3.93 0.85 -0.31 1.61 0.02 -1.26 -4.85 135.00 127.12 3huz s PRO 191 Ca 0.00 0.03 -0.29 0.00 0.02 0.00 0.00 61.00 60.76 3huz s PRO 191 Cb 0.00 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.70 3huz s PRO 191 CO 0.00 -2.34 1.11 -0.80 -0.33 0.00 0.00 177.00 174.64 3huz s ASN 192 N -4.34 6.89 0.00 2.53 0.02 -1.26 -3.06 114.94 115.72 3huz s ASN 192 Ca 0.67 1.09 0.00 0.00 -1.02 0.00 0.00 52.86 53.60 3huz s ASN 192 Cb -0.11 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.62 3huz s ASN 192 CO 0.53 -0.91 0.00 0.61 0.02 0.00 0.00 177.10 177.35 3huz n GLY 193 N 3.94 1.32 3.29 0.66 0.00 0.81 -4.95 105.19 110.25 3huz n GLY 193 Ca 0.12 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3huz n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huz s GLY 194 N -2.15 1.26 -0.12 -0.02 0.00 -1.17 -4.85 107.32 100.27 3huz s GLY 194 Ca 0.00 -1.08 -0.37 0.00 0.00 0.00 0.00 44.72 43.27 3huz s GLY 194 CO 0.00 -0.83 1.68 -0.10 0.00 0.00 0.00 173.10 173.85 3huz n LEU 195 N 2.60 2.57 0.00 0.66 7.94 -1.26 -2.80 117.00 126.71 3huz n LEU 195 Ca -0.16 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 3huz n LEU 195 Cb 0.51 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.23 3huz n LEU 195 CO 0.24 -0.44 0.00 1.33 -1.11 0.00 0.00 177.39 177.40 3huz n VAL 196 N 4.21 0.00 0.00 1.96 0.24 0.23 -4.56 118.33 120.40 3huz n VAL 196 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 3huz n VAL 196 Cb 0.20 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 3huz n VAL 196 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3huz n ILE 197 N 0.00 0.00 -2.04 1.34 3.06 -1.10 -3.94 119.36 116.68 3huz n ILE 197 Ca 0.00 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.83 3huz n ILE 197 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 3huz n ILE 197 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3huz s VAL 198 N 0.00 2.87 0.05 9.51 1.01 -1.25 -3.45 120.40 129.14 3huz s VAL 198 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3huz s VAL 198 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3huz s VAL 198 CO 0.00 0.07 -0.04 -0.13 0.00 0.00 0.00 175.10 175.00 3huz s ARG 199 N 0.60 0.56 0.59 2.72 0.52 -0.98 -3.12 118.95 119.85 3huz s ARG 199 Ca 0.64 -1.01 -0.17 0.00 -0.52 0.00 0.00 55.73 54.67 3huz s ARG 199 Cb -0.41 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 3huz s ARG 199 CO 0.35 -0.05 1.09 -2.00 0.02 0.00 0.00 175.30 174.71 3huz s GLU 200 N -2.89 3.21 0.73 3.54 -6.30 -0.93 -0.05 118.70 116.01 3huz s GLU 200 Ca -0.01 1.39 -0.01 0.00 -2.50 0.00 0.00 54.97 53.85 3huz s GLU 200 Cb -0.00 -2.01 0.14 0.00 0.00 0.00 0.00 34.13 32.26 3huz s GLU 200 CO -0.05 -0.92 1.01 -0.08 0.02 0.00 0.00 175.26 175.24 3huz s THR 201 N -2.18 2.09 -0.29 -1.70 -1.32 -1.11 -4.43 115.64 106.69 3huz s THR 201 Ca 0.68 -0.60 0.02 0.00 -1.21 0.00 0.00 61.69 60.58 3huz s THR 201 Cb -0.20 -2.49 0.08 0.00 -1.51 0.00 0.00 72.50 68.39 3huz s THR 201 CO 0.34 0.00 -0.00 -0.54 -2.21 0.00 0.00 174.62 172.21 3huz s LYS 202 N -5.17 1.53 0.00 7.08 3.01 -1.26 -4.71 119.74 120.23 3huz s LYS 202 Ca 0.67 -1.40 0.00 0.00 -1.01 0.00 0.00 55.97 54.23 3huz s LYS 202 Cb -0.05 -2.78 0.00 0.00 -1.01 0.00 0.00 37.83 33.99 3huz s LYS 202 CO 0.45 -0.78 0.00 0.36 0.51 0.00 0.00 175.35 175.88 3huz n LYS 203 N 4.50 0.00 0.00 1.68 -0.00 -1.26 -4.91 118.16 118.17 3huz n LYS 203 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 3huz n LYS 203 Cb 0.43 -0.16 0.00 0.00 -0.00 0.00 0.00 35.03 35.29 3huz n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3huz n ALA 204 N -1.72 2.08 0.00 0.58 0.00 -1.26 -5.29 120.51 114.90 3huz n ALA 204 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3huz n ALA 204 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3huz n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50