#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw n ARG 3 N 0.00 0.00 0.00 1.61 -4.01 -1.26 -4.41 116.66 108.59 3huw n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3huw n ARG 3 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 3huw n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 3huw n TYR 4 N 0.00 0.00 -1.94 2.89 9.36 -1.26 -4.87 117.16 121.34 3huw n TYR 4 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 3huw n TYR 4 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 3huw n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3huw n ILE 5 N 0.00 -6.44 -3.74 2.97 5.41 -1.26 -5.09 119.36 111.20 3huw n ILE 5 Ca 0.00 0.93 0.00 0.00 1.00 0.00 0.00 62.75 64.68 3huw n ILE 5 Cb 0.00 -4.86 0.00 0.00 -0.71 0.00 0.00 39.64 34.07 3huw n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3huw n GLY 6 N 0.50 -0.87 3.51 7.39 0.00 -1.26 -5.07 105.19 109.39 3huw n GLY 6 Ca -0.10 -1.04 -0.48 0.00 0.00 0.00 0.00 46.02 44.40 3huw n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3huw n PRO 7 N 0.00 1.46 0.00 1.61 -0.02 -1.26 -4.84 135.00 131.95 3huw n PRO 7 Ca 0.00 0.41 -0.22 0.00 -2.02 0.00 0.00 63.50 61.67 3huw n PRO 7 Cb 0.00 -2.76 -0.14 0.00 -0.02 0.00 0.00 33.50 30.58 3huw n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3huw h VAL 8 N 7.03 0.90 0.00 -1.45 2.07 -2.00 -3.29 116.25 119.51 3huw h VAL 8 Ca -0.33 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 64.81 3huw h VAL 8 Cb 1.29 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 3huw h VAL 8 CO 0.99 0.73 0.00 0.00 0.02 0.00 0.00 177.57 179.32 3huw h ARG 10 N 0.00 0.33 -0.00 0.00 2.43 -1.92 -2.64 114.38 112.58 3huw h ARG 10 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3huw h ARG 10 Cb 0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3huw h ARG 10 CO 0.00 0.49 -0.77 1.47 -1.51 0.00 0.00 179.97 179.66 3huw n LEU 11 N -4.21 0.88 -0.21 3.80 -0.00 -0.74 -4.12 117.00 112.40 3huw n LEU 11 Ca -0.00 -0.52 -0.01 0.00 -0.00 0.00 0.00 56.01 55.48 3huw n LEU 11 Cb 0.32 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.84 3huw n LEU 11 CO 0.39 0.21 1.03 0.00 -0.00 0.00 0.00 177.39 179.02 3huw n ARG 13 N -4.91 0.95 0.00 0.00 0.00 -1.20 -3.73 116.66 107.78 3huw n ARG 13 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 3huw n ARG 13 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.69 3huw n ARG 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3huw n ARG 14 N -0.62 0.00 -0.56 2.89 3.00 -1.25 -3.49 116.66 116.62 3huw n ARG 14 Ca 0.00 0.00 0.46 0.00 -0.00 0.00 0.00 57.85 58.31 3huw n ARG 14 Cb 0.00 0.00 0.77 0.00 0.00 0.00 0.00 32.46 33.23 3huw n ARG 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3huw h GLU 15 N 0.00 0.02 0.00 -0.14 4.57 -1.76 -3.45 114.58 113.81 3huw h GLU 15 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3huw h GLU 15 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3huw h GLU 15 CO 0.00 0.01 0.00 0.41 -1.18 0.00 0.00 179.01 178.25 3huw n GLY 16 N -1.81 1.30 3.45 1.92 0.00 -1.23 -5.02 105.19 103.80 3huw n GLY 16 Ca 0.38 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3huw n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huw n VAL 17 N 0.00 1.21 -2.91 1.61 0.31 -1.26 -4.51 118.33 112.77 3huw n VAL 17 Ca 0.00 -0.33 -0.40 0.00 -0.01 0.00 0.00 64.34 63.60 3huw n VAL 17 Cb 0.00 -0.70 -0.05 0.00 -0.91 0.00 0.00 33.84 32.18 3huw n VAL 17 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3huw s LYS 18 N -3.05 4.58 -0.07 5.55 1.02 -1.26 -4.63 119.74 121.87 3huw s LYS 18 Ca 0.62 1.20 0.05 0.00 0.02 0.00 0.00 55.97 57.86 3huw s LYS 18 Cb -0.30 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 3huw s LYS 18 CO 0.61 0.34 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.63 3huw s LEU 19 N -0.32 2.13 -1.44 3.17 1.02 -1.26 -5.03 118.68 116.95 3huw s LEU 19 Ca 0.40 -0.51 -0.11 0.00 0.02 0.00 0.00 54.13 53.93 3huw s LEU 19 Cb -0.22 -1.40 0.05 0.00 0.02 0.00 0.00 46.19 44.64 3huw s LEU 19 CO 0.26 0.22 2.33 -1.22 0.02 0.00 0.00 176.35 177.95 3huw n TYR 20 N 3.13 3.03 0.78 0.29 4.02 -1.26 -4.46 117.16 122.68 3huw n TYR 20 Ca -0.18 -2.94 0.12 0.00 -0.01 0.00 0.00 57.90 54.89 3huw n TYR 20 Cb 0.52 -2.31 0.24 0.00 -0.02 0.00 0.00 39.34 37.77 3huw n TYR 20 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3huw n LEU 21 N 4.47 0.56 -0.13 7.72 4.77 -1.26 -4.14 117.00 128.98 3huw n LEU 21 Ca 0.56 0.15 -0.27 0.00 -0.03 0.00 0.00 56.01 56.42 3huw n LEU 21 Cb 0.33 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 3huw n LEU 21 CO 0.85 0.03 -1.34 0.29 -1.33 0.00 0.00 177.39 175.89 3huw n LYS 22 N -1.81 0.58 0.00 3.23 5.02 -1.26 -4.48 118.16 119.44 3huw n LYS 22 Ca 0.04 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3huw n LYS 22 Cb 0.39 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3huw n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3huw n GLY 23 N 1.28 1.74 0.00 0.72 0.00 -1.26 -4.16 105.19 103.52 3huw n GLY 23 Ca -0.49 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3huw n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huw n GLU 24 N 0.00 0.00 -0.34 1.61 -0.58 -1.26 -3.86 120.64 116.22 3huw n GLU 24 Ca 0.00 0.00 0.27 0.00 -0.42 0.00 0.00 57.16 57.01 3huw n GLU 24 Cb 0.00 -0.26 0.45 0.00 -0.57 0.00 0.00 31.44 31.06 3huw n GLU 24 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3huw n ARG 25 N 0.00 -0.02 0.00 3.49 0.63 -1.26 0.14 116.66 119.64 3huw n ARG 25 Ca 0.00 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 3huw n ARG 25 Cb 0.00 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.38 3huw n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3huw n TYR 27 N -1.38 0.03 -0.77 0.00 4.02 0.36 -4.70 117.16 114.72 3huw n TYR 27 Ca 0.00 0.01 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 3huw n TYR 27 Cb 0.03 -1.00 0.13 0.00 -0.02 0.00 0.00 39.34 38.48 3huw n TYR 27 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3huw n SER 28 N -3.98 -2.66 -2.33 7.72 2.88 -0.57 -4.71 113.62 109.98 3huw n SER 28 Ca -0.52 -0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 56.89 3huw n SER 28 Cb 0.92 -0.91 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 3huw n SER 28 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3huw n PRO 29 N -0.95 1.71 -2.35 -1.46 -0.02 -1.26 -3.78 135.00 126.89 3huw n PRO 29 Ca 0.01 -0.93 -0.02 0.00 -2.02 0.00 0.00 63.50 60.54 3huw n PRO 29 Cb 0.63 -2.00 0.09 0.00 -0.02 0.00 0.00 33.50 32.20 3huw n PRO 29 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3huw n LYS 30 N 2.86 1.07 0.00 -0.52 2.85 -1.26 -4.84 118.16 118.32 3huw n LYS 30 Ca 0.37 -1.03 0.00 0.00 -1.05 0.00 0.00 58.31 56.59 3huw n LYS 30 Cb 0.59 0.39 0.00 0.00 -0.65 0.00 0.00 35.03 35.36 3huw n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3huw n ALA 32 N -0.36 0.00 0.05 0.00 0.00 -1.26 -4.20 120.51 114.73 3huw n ALA 32 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3huw n ALA 32 Cb 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 3huw n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3huw h MET 33 N 0.18 0.00 -0.05 0.00 1.85 -1.84 0.94 114.93 116.01 3huw h MET 33 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3huw h MET 33 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3huw h MET 33 CO 0.00 0.62 0.00 -1.91 -0.40 0.00 0.00 176.91 175.22 3huw n GLU 34 N -3.15 0.74 0.07 0.39 4.07 -1.26 -4.03 120.64 117.47 3huw n GLU 34 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 3huw n GLU 34 Cb 0.91 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 31.27 3huw n GLU 34 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3huw n ARG 35 N -0.46 0.00 -3.21 5.31 1.74 -1.05 -4.67 116.66 114.32 3huw n ARG 35 Ca 0.00 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.62 3huw n ARG 35 Cb 0.01 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.44 3huw n ARG 35 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3huw s ARG 36 N -2.00 3.72 0.56 5.56 0.52 0.32 -4.91 118.95 122.72 3huw s ARG 36 Ca 0.00 -2.41 0.28 0.00 -0.52 0.00 0.00 55.73 53.09 3huw s ARG 36 Cb 0.00 -4.60 1.46 0.00 0.52 0.00 0.00 34.95 32.33 3huw s ARG 36 CO 0.00 -1.43 1.94 -1.00 0.02 0.00 0.00 175.30 174.83 3huw h PRO 37 N 7.84 0.00 -7.13 3.54 0.13 -1.79 -3.41 132.00 131.19 3huw h PRO 37 Ca 0.14 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.82 3huw h PRO 37 Cb 1.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.20 3huw h PRO 37 CO 0.90 0.00 0.13 1.52 -0.23 0.00 0.00 178.00 180.32 3huw s TYR 38 N -4.84 2.71 0.84 1.56 -0.85 -1.26 -4.70 117.35 110.81 3huw s TYR 38 Ca -0.05 0.19 -0.12 0.00 -0.52 0.00 0.00 57.07 56.58 3huw s TYR 38 Cb 0.18 -3.04 0.10 0.00 0.38 0.00 0.00 41.96 39.58 3huw s TYR 38 CO 0.67 -1.29 1.12 -2.14 -1.52 0.00 0.00 175.55 172.39 3huw s PRO 39 N -5.08 1.72 0.00 -3.49 0.02 -1.25 -3.86 135.00 123.06 3huw s PRO 39 Ca 0.60 0.44 0.00 0.00 0.02 0.00 0.00 61.00 62.06 3huw s PRO 39 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3huw s PRO 39 CO 0.43 -1.83 0.00 -0.35 -0.33 0.00 0.00 177.00 174.92 3huw n PRO 40 N -3.54 1.04 -0.40 5.54 -0.04 -1.26 -4.06 135.00 132.28 3huw n PRO 40 Ca 0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 3huw n PRO 40 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 3huw n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3huw n GLY 41 N 1.33 -2.74 0.00 0.55 0.00 -1.26 -2.73 105.19 100.33 3huw n GLY 41 Ca 0.00 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.73 3huw n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3huw n GLN 42 N -2.69 0.17 0.00 1.61 7.27 -1.26 -3.02 117.38 119.46 3huw n GLN 42 Ca -0.02 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.22 3huw n GLN 42 Cb 0.19 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.34 3huw n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3huw n HIS 43 N -1.27 0.00 -0.10 3.69 8.25 -1.26 -4.84 115.22 119.68 3huw n HIS 43 Ca 0.06 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.59 3huw n HIS 43 Cb 0.09 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.34 3huw n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3huw n GLY 44 N 0.43 -0.31 3.20 -1.41 0.00 -1.11 -1.23 105.19 104.76 3huw n GLY 44 Ca 0.00 0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3huw n GLY 44 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3huw s GLN 45 N -4.73 3.54 -0.30 1.61 -2.07 -1.26 -3.91 119.66 112.54 3huw s GLN 45 Ca -0.03 -3.11 -0.03 0.00 -1.82 0.00 0.00 55.36 50.37 3huw s GLN 45 Cb 0.10 -4.18 0.19 0.00 -1.09 0.00 0.00 33.01 28.03 3huw s GLN 45 CO 0.24 -1.25 0.79 0.21 -1.32 0.00 0.00 175.29 173.95 3huw s LYS 46 N -1.04 0.39 0.00 9.60 2.20 -0.37 -5.09 119.74 125.42 3huw s LYS 46 Ca 0.26 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 3huw s LYS 46 Cb -0.10 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 3huw s LYS 46 CO -0.10 -0.64 0.00 -2.13 -0.36 0.00 0.00 175.35 172.13 3huw n ARG 47 N 5.34 0.00 -1.11 4.03 3.00 -1.26 -4.87 116.66 121.78 3huw n ARG 47 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.58 3huw n ARG 47 Cb 0.55 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.13 3huw n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3huw s ALA 48 N 0.00 1.85 0.29 5.13 0.00 -1.26 -5.07 121.76 122.70 3huw s ALA 48 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 51.96 52.30 3huw s ALA 48 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 3huw s ALA 48 CO 0.00 -2.17 -0.16 0.50 0.00 0.00 0.00 175.76 173.94 3huw s ARG 49 N -4.85 1.66 -0.69 0.00 3.00 -1.26 -5.07 118.95 111.74 3huw s ARG 49 Ca 0.63 -1.79 -0.31 0.00 -1.00 0.00 0.00 55.73 53.26 3huw s ARG 49 Cb -0.19 -1.63 -0.15 0.00 0.00 0.00 0.00 34.95 32.98 3huw s ARG 49 CO 0.57 0.24 2.48 0.54 0.00 0.00 0.00 175.30 179.14 3huw n ARG 50 N -0.63 0.51 -1.70 5.12 5.12 -1.26 -4.90 116.66 118.91 3huw n ARG 50 Ca -0.05 0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3huw n ARG 50 Cb 0.61 -2.25 -0.03 0.00 -1.16 0.00 0.00 32.46 29.63 3huw n ARG 50 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3huw s PRO 51 N 8.06 4.13 0.31 5.56 0.02 -1.26 -4.99 135.00 146.82 3huw s PRO 51 Ca 1.19 2.61 -0.28 0.00 0.02 0.00 0.00 61.00 64.53 3huw s PRO 51 Cb -0.88 -3.61 -0.09 0.00 0.02 0.00 0.00 34.50 29.93 3huw s PRO 51 CO 0.43 -0.85 1.08 -1.54 -0.33 0.00 0.00 177.00 175.79 3huw s SER 52 N 2.78 7.17 0.29 2.53 1.04 -1.26 -4.78 113.70 121.48 3huw s SER 52 Ca 0.81 2.19 -0.03 0.00 0.48 0.00 0.00 55.95 59.41 3huw s SER 52 Cb -0.46 -2.62 0.60 0.00 0.10 0.00 0.00 66.02 63.64 3huw s SER 52 CO 0.37 -0.21 1.55 0.47 0.98 0.00 0.00 173.24 176.39 3huw n ASP 53 N 0.91 -0.24 0.27 7.02 9.92 -1.26 0.28 116.55 133.44 3huw n ASP 53 Ca 0.00 1.69 -0.15 0.00 -0.53 0.00 0.00 54.79 55.80 3huw n ASP 53 Cb 0.46 -0.56 -0.08 0.00 -0.64 0.00 0.00 41.12 40.30 3huw n ASP 53 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 3huw h TYR 54 N 0.00 -0.63 -0.15 1.24 3.20 -1.97 -2.82 116.97 115.84 3huw h TYR 54 Ca 0.53 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.40 3huw h TYR 54 Cb 0.97 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 3huw h TYR 54 CO -0.64 -0.32 -0.09 0.00 -1.64 0.00 0.00 178.16 175.47 3huw n ALA 55 N -2.49 -0.10 -0.31 1.82 0.00 0.14 -0.17 120.51 119.40 3huw n ALA 55 Ca -0.11 0.13 0.22 0.00 0.00 0.00 0.00 53.44 53.68 3huw n ALA 55 Cb 0.31 0.40 0.42 0.00 0.00 0.00 0.00 19.45 20.58 3huw n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3huw n VAL 56 N -3.34 -0.39 0.06 0.00 0.31 0.38 0.90 118.33 116.25 3huw n VAL 56 Ca 0.00 1.96 -0.19 0.00 -0.01 0.00 0.00 64.34 66.10 3huw n VAL 56 Cb 0.04 -3.03 -0.10 0.00 -0.91 0.00 0.00 33.84 29.84 3huw n VAL 56 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3huw h ARG 57 N 0.00 0.62 0.56 5.55 3.08 -0.69 0.14 114.38 123.64 3huw h ARG 57 Ca 0.68 -0.70 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3huw h ARG 57 Cb 1.66 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.90 3huw h ARG 57 CO -0.79 1.29 -0.42 1.25 -1.07 0.00 0.00 179.97 180.22 3huw h LEU 58 N 0.33 -1.11 -0.03 3.04 6.46 0.39 0.34 115.31 124.73 3huw h LEU 58 Ca -0.13 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 3huw h LEU 58 Cb 1.72 0.35 -0.06 0.00 -0.73 0.00 0.00 40.66 41.94 3huw h LEU 58 CO 0.20 -0.62 -0.41 0.03 -0.62 0.00 0.00 178.44 177.02 3huw h ARG 59 N -0.96 -0.52 0.00 1.25 2.47 -0.45 0.27 114.38 116.45 3huw h ARG 59 Ca -0.06 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3huw h ARG 59 Cb 0.81 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 3huw h ARG 59 CO 0.01 -0.35 0.11 -1.91 0.56 0.00 0.00 179.97 178.39 3huw n GLU 60 N -5.44 0.00 -0.03 0.04 4.07 0.49 -1.63 120.64 118.14 3huw n GLU 60 Ca -0.05 0.34 -0.03 0.00 -0.06 0.00 0.00 57.16 57.36 3huw n GLU 60 Cb 0.36 -1.61 -0.06 0.00 -0.06 0.00 0.00 31.44 30.07 3huw n GLU 60 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3huw n LYS 61 N -1.33 2.38 0.00 5.31 0.00 0.07 -4.29 118.16 120.30 3huw n LYS 61 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 58.31 58.32 3huw n LYS 61 Cb 0.11 -1.20 0.17 0.00 0.00 0.00 0.00 35.03 34.11 3huw n LYS 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3huw n GLN 62 N -2.21 0.82 -0.02 1.64 1.13 -0.21 -0.90 117.38 117.64 3huw n GLN 62 Ca -0.11 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.93 3huw n GLN 62 Cb 0.67 -1.11 -0.01 0.00 0.11 0.00 0.00 30.24 29.90 3huw n GLN 62 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3huw n LYS 63 N -0.61 0.14 0.27 -1.09 4.81 -1.13 -2.96 118.16 117.59 3huw n LYS 63 Ca 0.04 0.24 0.18 0.00 -0.87 0.00 0.00 58.31 57.90 3huw n LYS 63 Cb 0.02 -0.95 0.94 0.00 0.02 0.00 0.00 35.03 35.06 3huw n LYS 63 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3huw h LEU 64 N -0.30 0.00 0.10 3.14 5.85 -1.71 0.55 115.31 122.94 3huw h LEU 64 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 3huw h LEU 64 Cb 0.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3huw h LEU 64 CO 0.00 0.00 -1.20 -0.09 -0.34 0.00 0.00 178.44 176.81 3huw h ARG 65 N 0.00 0.22 0.00 1.25 2.43 -1.19 -3.36 114.38 113.73 3huw h ARG 65 Ca 0.00 -0.38 -0.10 0.00 -0.81 0.00 0.00 59.98 58.70 3huw h ARG 65 Cb 0.05 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3huw h ARG 65 CO 0.00 1.18 -0.45 0.00 -1.51 0.00 0.00 179.97 179.19 3huw h ARG 66 N -0.41 0.00 -0.05 0.20 3.08 -1.24 -3.08 114.38 112.89 3huw h ARG 66 Ca -0.26 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.80 3huw h ARG 66 Cb 1.66 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.71 3huw h ARG 66 CO 0.05 0.45 0.05 0.82 -1.07 0.00 0.00 179.97 180.28 3huw h ILE 67 N 0.00 0.55 -0.25 2.04 2.04 -1.06 -2.20 117.51 118.63 3huw h ILE 67 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3huw h ILE 67 Cb 1.03 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3huw h ILE 67 CO 0.06 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.99 3huw n TYR 68 N -3.89 0.33 -4.19 1.37 4.02 -1.17 -4.94 117.16 108.69 3huw n TYR 68 Ca -0.02 -0.35 -0.38 0.00 -0.01 0.00 0.00 57.90 57.14 3huw n TYR 68 Cb 0.14 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 3huw n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3huw n GLY 69 N 0.55 -0.46 3.20 2.72 0.00 -0.83 -4.95 105.19 105.42 3huw n GLY 69 Ca 0.10 0.25 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 3huw n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3huw s ILE 70 N -3.97 1.42 0.78 -0.61 2.07 -1.25 -4.79 121.20 114.86 3huw s ILE 70 Ca 0.23 -1.02 -0.13 0.00 -1.41 0.00 0.00 60.65 58.32 3huw s ILE 70 Cb -0.13 -1.23 0.07 0.00 0.13 0.00 0.00 42.46 41.30 3huw s ILE 70 CO 0.98 0.19 1.18 -0.94 -1.91 0.00 0.00 174.94 174.44 3huw s SER 71 N -0.97 3.90 0.35 4.50 1.04 -1.26 -4.75 113.70 116.50 3huw s SER 71 Ca 0.05 2.26 0.03 0.00 0.48 0.00 0.00 55.95 58.77 3huw s SER 71 Cb -0.08 -2.58 0.65 0.00 0.10 0.00 0.00 66.02 64.12 3huw s SER 71 CO 0.01 -2.45 1.97 -0.08 0.98 0.00 0.00 173.24 173.67 3huw h GLU 72 N -0.79 0.83 0.00 4.02 4.57 -1.97 0.21 114.58 121.46 3huw h GLU 72 Ca -0.46 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3huw h GLU 72 Cb 1.28 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3huw h GLU 72 CO 0.48 0.55 0.00 -2.13 -1.18 0.00 0.00 179.01 176.73 3huw n ARG 73 N -4.46 0.00 -0.30 1.92 3.00 -1.26 -1.62 116.66 113.94 3huw n ARG 73 Ca 0.09 0.53 -0.04 0.00 -0.00 0.00 0.00 57.85 58.43 3huw n ARG 73 Cb 0.14 -1.27 0.07 0.00 0.00 0.00 0.00 32.46 31.41 3huw n ARG 73 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3huw h GLN 74 N 0.00 1.14 -0.99 -0.14 4.20 -1.90 -2.58 115.11 114.84 3huw h GLN 74 Ca 0.00 -0.12 0.27 0.00 0.06 0.00 0.00 58.65 58.87 3huw h GLN 74 Cb 0.00 -0.23 -0.14 0.00 0.30 0.00 0.00 27.48 27.41 3huw h GLN 74 CO 0.00 0.82 0.56 0.35 -0.67 0.00 0.00 178.83 179.89 3huw h PHE 75 N 1.14 0.94 0.03 2.96 3.57 -0.47 -2.20 116.94 122.91 3huw h PHE 75 Ca 0.29 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.69 3huw h PHE 75 Cb -0.00 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.49 3huw h PHE 75 CO 0.00 -0.05 -0.55 -0.09 -2.23 0.00 0.00 178.31 175.39 3huw h ARG 76 N 0.45 0.32 -0.22 1.11 9.65 -0.89 -2.98 114.38 121.82 3huw h ARG 76 Ca 0.67 -0.39 0.06 0.00 -1.10 0.00 0.00 59.98 59.23 3huw h ARG 76 Cb 1.39 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 30.08 3huw h ARG 76 CO -0.54 1.09 0.72 -0.91 2.80 0.00 0.00 179.97 183.14 3huw h ASN 77 N -0.29 0.00 0.00 -3.80 2.35 -1.27 -0.15 115.58 112.42 3huw h ASN 77 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3huw h ASN 77 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 3huw h ASN 77 CO 0.11 0.00 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.66 3huw h LEU 78 N 0.00 0.00 -0.97 1.61 3.38 -1.46 -2.17 115.31 115.70 3huw h LEU 78 Ca 0.10 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.37 3huw h LEU 78 Cb 1.54 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.14 3huw h LEU 78 CO -0.00 0.51 0.48 0.15 0.09 0.00 0.00 178.44 179.67 3huw h PHE 79 N -0.86 0.78 0.65 1.13 3.57 -0.93 0.64 116.94 121.92 3huw h PHE 79 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3huw h PHE 79 Cb 0.16 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.72 3huw h PHE 79 CO -0.07 -0.19 -0.31 0.93 -2.23 0.00 0.00 178.31 176.44 3huw h GLU 80 N 0.29 -0.84 0.00 1.11 4.39 -1.36 -2.73 114.58 115.45 3huw h GLU 80 Ca 0.69 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.45 3huw h GLU 80 Cb 1.54 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 3huw h GLU 80 CO -0.62 -0.56 0.26 1.49 -1.16 0.00 0.00 179.01 178.41 3huw h GLU 81 N -1.12 0.00 0.00 2.33 4.81 -0.34 0.80 114.58 121.06 3huw h GLU 81 Ca -0.09 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 3huw h GLU 81 Cb 0.67 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3huw h GLU 81 CO 0.15 0.00 -0.82 0.00 -0.73 0.00 0.00 179.01 177.61 3huw h ALA 82 N 1.42 0.50 0.01 2.92 0.00 0.44 -2.90 119.26 121.65 3huw h ALA 82 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 3huw h ALA 82 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3huw h ALA 82 CO 0.00 0.99 -0.00 0.77 0.00 0.00 0.00 179.25 181.01 3huw h SER 83 N 0.00 -0.01 -1.00 0.00 0.02 0.91 -3.17 113.55 110.30 3huw h SER 83 Ca -0.02 -0.83 0.22 0.00 -0.84 0.00 0.00 61.79 60.32 3huw h SER 83 Cb 1.61 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 64.05 3huw h SER 83 CO 0.10 0.86 0.62 0.11 -1.14 0.00 0.00 176.83 177.38 3huw h LYS 84 N -0.91 0.59 -6.88 3.45 1.79 -1.54 -3.40 116.57 109.66 3huw h LYS 84 Ca -0.00 -0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 57.90 3huw h LYS 84 Cb 0.84 -0.13 0.08 0.00 -1.58 0.00 0.00 32.23 31.44 3huw h LYS 84 CO 0.00 0.39 0.75 0.15 -1.08 0.00 0.00 179.45 179.66 3huw s LYS 85 N -5.71 4.20 0.45 3.15 -0.14 -1.09 -5.01 119.74 115.60 3huw s LYS 85 Ca -0.10 2.43 -0.21 0.00 -1.36 0.00 0.00 55.97 56.73 3huw s LYS 85 Cb 0.25 -3.02 -0.10 0.00 -1.68 0.00 0.00 37.83 33.28 3huw s LYS 85 CO 0.80 -0.43 1.00 0.15 -0.76 0.00 0.00 175.35 176.10 3huw s LYS 86 N -1.55 4.04 0.00 1.68 -0.14 -1.26 -4.84 119.74 117.67 3huw s LYS 86 Ca 0.54 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 56.42 3huw s LYS 86 Cb -0.44 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.52 3huw s LYS 86 CO 0.55 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 175.34 3huw n GLY 87 N -0.35 1.80 3.33 -3.33 0.00 -1.26 -4.91 105.19 100.48 3huw n GLY 87 Ca 0.08 -1.66 -0.54 0.00 0.00 0.00 0.00 46.02 43.90 3huw n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huw n VAL 88 N 1.76 0.02 -0.34 1.61 0.31 -1.26 -4.78 118.33 115.65 3huw n VAL 88 Ca 0.00 -0.04 0.06 0.00 -0.01 0.00 0.00 64.34 64.36 3huw n VAL 88 Cb 0.00 -0.65 0.22 0.00 -0.91 0.00 0.00 33.84 32.51 3huw n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3huw h THR 89 N 7.26 0.88 0.00 2.52 2.02 -1.88 -2.35 112.91 121.36 3huw h THR 89 Ca -0.11 -0.30 -0.24 0.00 0.77 0.00 0.00 66.41 66.53 3huw h THR 89 Cb 1.38 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3huw h THR 89 CO 1.16 0.16 1.48 0.61 0.37 0.00 0.00 175.52 179.29 3huw n GLY 90 N -1.34 2.56 0.11 2.16 0.00 -1.26 -2.62 105.19 104.81 3huw n GLY 90 Ca 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3huw n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3huw n SER 91 N 3.68 0.00 -0.20 1.61 2.88 -1.00 -4.93 113.62 115.66 3huw n SER 91 Ca 0.32 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 58.06 3huw n SER 91 Cb 0.25 0.03 0.36 0.00 -0.75 0.00 0.00 64.21 64.10 3huw n SER 91 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3huw n VAL 92 N -1.13 -0.26 0.00 2.46 0.31 -0.92 0.80 118.33 119.59 3huw n VAL 92 Ca 0.00 1.26 0.00 0.00 -0.01 0.00 0.00 64.34 65.59 3huw n VAL 92 Cb 0.00 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 30.88 3huw n VAL 92 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3huw n PHE 93 N -4.41 0.00 -0.16 3.52 -0.00 -1.08 -2.18 117.46 113.16 3huw n PHE 93 Ca 0.23 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.71 3huw n PHE 93 Cb 0.79 -0.00 0.07 0.00 -0.00 0.00 0.00 39.48 40.34 3huw n PHE 93 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3huw n LEU 94 N -0.60 -0.15 0.00 -2.13 4.77 0.24 0.81 117.00 119.94 3huw n LEU 94 Ca 0.00 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 3huw n LEU 94 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3huw n LEU 94 CO 0.00 -0.74 0.50 0.61 -1.33 0.00 0.00 177.39 176.43 3huw n GLY 95 N -1.28 -2.93 0.42 -0.72 0.00 -0.35 -0.32 105.19 100.02 3huw n GLY 95 Ca 0.07 0.41 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 3huw n GLY 95 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3huw h LEU 96 N 0.00 -1.66 -1.81 0.99 -0.00 0.91 1.13 115.31 114.88 3huw h LEU 96 Ca 0.00 0.24 0.41 0.00 -0.00 0.00 0.00 57.88 58.53 3huw h LEU 96 Cb 0.00 0.71 -0.06 0.00 -0.00 0.00 0.00 40.66 41.31 3huw h LEU 96 CO 0.00 -0.37 1.12 -0.07 -0.00 0.00 0.00 178.44 179.11 3huw h LEU 97 N -0.32 0.00 -3.63 1.67 3.38 -0.78 1.80 115.31 117.42 3huw h LEU 97 Ca 0.12 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.73 3huw h LEU 97 Cb 0.58 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.12 3huw h LEU 97 CO -0.63 0.00 0.16 1.21 0.09 0.00 0.00 178.44 179.28 3huw n GLU 98 N -3.85 2.18 0.00 1.13 4.07 0.38 -4.24 120.64 120.31 3huw n GLU 98 Ca 0.31 -3.24 0.00 0.00 -0.06 0.00 0.00 57.16 54.17 3huw n GLU 98 Cb 1.55 -2.01 0.00 0.00 -0.06 0.00 0.00 31.44 30.93 3huw n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3huw n SER 99 N -1.08 0.81 -4.73 4.31 7.64 0.61 -4.80 113.62 116.38 3huw n SER 99 Ca 0.45 -1.24 -0.42 0.00 1.01 0.00 0.00 58.87 58.67 3huw n SER 99 Cb 1.17 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.34 3huw n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3huw s ARG 100 N -0.24 4.42 0.32 1.43 0.52 -1.20 0.79 118.95 124.99 3huw s ARG 100 Ca 0.00 1.93 0.09 0.00 -0.52 0.00 0.00 55.73 57.23 3huw s ARG 100 Cb 0.00 -3.26 0.87 0.00 0.52 0.00 0.00 34.95 33.08 3huw s ARG 100 CO 0.00 -0.23 1.74 1.25 0.02 0.00 0.00 175.30 178.08 3huw h LEU 101 N 5.94 0.69 -1.19 2.53 5.85 -0.47 0.98 115.31 129.64 3huw h LEU 101 Ca -0.43 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 3huw h LEU 101 Cb 1.21 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3huw h LEU 101 CO 0.79 0.13 -0.33 -2.24 -0.34 0.00 0.00 178.44 176.45 3huw h ASP 102 N 0.60 0.13 0.61 1.25 2.03 -1.77 -2.72 116.42 116.55 3huw h ASP 102 Ca 0.63 -0.04 -0.16 0.00 -0.73 0.00 0.00 57.03 56.73 3huw h ASP 102 Cb 1.18 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.63 3huw h ASP 102 CO -0.46 0.46 -0.75 -1.13 -1.03 0.00 0.00 179.24 176.34 3huw h ASN 103 N 0.12 0.13 -0.03 4.15 -1.24 0.66 -2.86 115.58 116.51 3huw h ASN 103 Ca 0.01 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 3huw h ASN 103 Cb 0.64 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.65 3huw h ASN 103 CO 0.05 0.83 -0.00 0.58 -1.29 0.00 0.00 177.43 177.59 3huw h VAL 104 N 0.07 1.27 -0.33 2.57 2.07 -1.08 -1.86 116.25 118.97 3huw h VAL 104 Ca -0.02 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.78 3huw h VAL 104 Cb 1.31 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 3huw h VAL 104 CO 0.11 0.22 0.59 0.58 0.02 0.00 0.00 177.57 179.08 3huw h VAL 105 N -0.26 0.16 0.01 2.57 2.07 -1.40 0.45 116.25 119.84 3huw h VAL 105 Ca 0.01 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.23 3huw h VAL 105 Cb 0.35 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3huw h VAL 105 CO 0.00 0.00 -1.76 0.00 0.02 0.00 0.00 177.57 175.84 3huw n TYR 106 N -3.24 0.98 0.30 1.57 9.36 -0.85 -2.31 117.16 122.98 3huw n TYR 106 Ca 0.06 0.34 0.12 0.00 3.32 0.00 0.00 57.90 61.74 3huw n TYR 106 Cb 0.72 -1.18 0.20 0.00 -0.63 0.00 0.00 39.34 38.45 3huw n TYR 106 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3huw h ARG 107 N 0.01 0.00 -0.57 2.98 2.47 0.51 -2.97 114.38 116.81 3huw h ARG 107 Ca -0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 3huw h ARG 107 Cb 2.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.34 3huw h ARG 107 CO 0.08 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.89 3huw n LEU 108 N -2.83 5.67 0.00 3.04 4.32 0.55 -4.85 117.00 122.90 3huw n LEU 108 Ca 0.04 -2.93 0.00 0.00 -0.02 0.00 0.00 56.01 53.10 3huw n LEU 108 Cb 0.51 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 3huw n LEU 108 CO 0.34 0.64 0.00 0.61 -1.22 0.00 0.00 177.39 177.76 3huw n GLY 109 N 0.60 0.00 0.22 -0.72 0.00 -1.12 -4.68 105.19 99.48 3huw n GLY 109 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.40 3huw n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3huw h PHE 110 N 0.00 0.00 -3.94 1.61 -1.00 -1.75 -3.41 116.94 108.46 3huw h PHE 110 Ca 0.00 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 3huw h PHE 110 Cb 0.36 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.78 3huw h PHE 110 CO 0.23 0.00 -0.40 0.00 -1.61 0.00 0.00 178.31 176.52 3huw s ALA 111 N -3.59 0.04 -0.04 2.45 0.00 -1.18 -4.74 121.76 114.70 3huw s ALA 111 Ca -0.02 -0.87 0.13 0.00 0.00 0.00 0.00 51.96 51.20 3huw s ALA 111 Cb 0.06 0.67 -0.18 0.00 0.00 0.00 0.00 23.12 23.67 3huw s ALA 111 CO 0.18 -0.55 0.90 -0.39 0.00 0.00 0.00 175.76 175.89 3huw h VAL 112 N 2.71 0.94 -3.37 0.00 -1.51 -1.91 -3.44 116.25 109.66 3huw h VAL 112 Ca -0.33 -2.64 -0.43 0.00 -1.23 0.00 0.00 66.70 62.07 3huw h VAL 112 Cb 1.21 2.41 -0.14 0.00 -2.13 0.00 0.00 31.29 32.64 3huw h VAL 112 CO 0.54 0.54 -0.58 -0.94 -1.23 0.00 0.00 177.57 175.89 3huw s SER 113 N -6.17 1.85 0.03 4.19 1.04 -1.26 -4.32 113.70 109.06 3huw s SER 113 Ca -0.02 -1.47 -0.24 0.00 0.48 0.00 0.00 55.95 54.69 3huw s SER 113 Cb 0.09 0.21 -0.17 0.00 0.10 0.00 0.00 66.02 66.24 3huw s SER 113 CO 0.81 -0.77 1.47 0.03 0.98 0.00 0.00 173.24 175.76 3huw h ARG 114 N 2.17 0.03 0.59 4.02 3.08 -1.79 -2.65 114.38 119.83 3huw h ARG 114 Ca -0.37 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 3huw h ARG 114 Cb 1.25 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3huw h ARG 114 CO 0.60 0.30 -0.33 0.00 -1.07 0.00 0.00 179.97 179.47 3huw h ARG 115 N -0.25 -0.83 -0.74 0.04 3.08 -1.94 -2.21 114.38 111.54 3huw h ARG 115 Ca 0.00 0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.25 3huw h ARG 115 Cb 0.29 0.19 -0.14 0.00 0.08 0.00 0.00 29.97 30.39 3huw h ARG 115 CO 0.00 -0.55 -0.24 0.37 -1.07 0.00 0.00 179.97 178.48 3huw h GLN 116 N -0.86 -0.04 -0.05 0.04 4.15 -1.90 0.11 115.11 116.56 3huw h GLN 116 Ca -0.07 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.39 3huw h GLN 116 Cb 0.69 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.33 3huw h GLN 116 CO 0.09 -0.03 -0.35 0.00 -1.93 0.00 0.00 178.83 176.62 3huw h ALA 117 N 1.55 -0.49 -0.73 3.38 0.00 -1.29 -2.08 119.26 119.60 3huw h ALA 117 Ca 0.33 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.32 3huw h ALA 117 Cb 0.56 0.63 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 3huw h ALA 117 CO -0.77 -0.86 -0.36 -2.13 0.00 0.00 0.00 179.25 175.14 3huw n ARG 118 N -5.42 -0.24 -0.18 0.00 0.63 0.34 -0.54 116.66 111.24 3huw n ARG 118 Ca -0.05 1.12 -0.03 0.00 -0.92 0.00 0.00 57.85 57.98 3huw n ARG 118 Cb 0.34 -1.65 0.04 0.00 0.45 0.00 0.00 32.46 31.64 3huw n ARG 118 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3huw h GLN 119 N 0.00 -0.06 -0.08 -0.14 4.15 -1.02 0.13 115.11 118.10 3huw h GLN 119 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3huw h GLN 119 Cb 0.37 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 3huw h GLN 119 CO -0.71 -0.04 0.04 -0.07 -1.93 0.00 0.00 178.83 176.12 3huw h LEU 120 N -0.06 0.10 -0.39 -2.39 3.38 -0.79 1.43 115.31 116.60 3huw h LEU 120 Ca 0.26 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3huw h LEU 120 Cb 0.47 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 3huw h LEU 120 CO -0.61 0.18 -0.33 0.58 0.09 0.00 0.00 178.44 178.36 3huw h VAL 121 N 0.02 0.23 0.23 1.22 2.07 -0.60 -1.51 116.25 117.90 3huw h VAL 121 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3huw h VAL 121 Cb 0.10 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3huw h VAL 121 CO -0.00 0.00 -0.21 -0.09 0.02 0.00 0.00 177.57 177.28 3huw h ARG 122 N -0.26 -0.42 0.00 1.57 9.65 -0.12 -2.14 114.38 122.65 3huw h ARG 122 Ca 0.17 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3huw h ARG 122 Cb 0.54 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3huw h ARG 122 CO -0.53 -0.28 0.00 0.72 2.80 0.00 0.00 179.97 182.68 3huw n HIS 123 N -3.63 0.00 -4.11 2.20 8.25 0.48 -4.45 115.22 113.96 3huw n HIS 123 Ca -0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.10 3huw n HIS 123 Cb 0.20 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 3huw n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3huw n GLY 124 N 0.30 -0.31 0.12 -1.41 0.00 -0.82 -4.86 105.19 98.20 3huw n GLY 124 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3huw n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3huw n HIS 125 N -4.41 0.44 -2.29 1.61 8.25 -0.63 -4.90 115.22 113.29 3huw n HIS 125 Ca -0.14 0.12 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 3huw n HIS 125 Cb 0.60 -1.07 0.10 0.00 1.12 0.00 0.00 29.99 30.74 3huw n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3huw s ILE 126 N -2.53 2.22 -0.26 1.59 -1.09 -1.25 0.53 121.20 120.41 3huw s ILE 126 Ca -0.21 -0.34 -0.18 0.00 -2.23 0.00 0.00 60.65 57.70 3huw s ILE 126 Cb 0.08 -2.88 0.07 0.00 -1.58 0.00 0.00 42.46 38.14 3huw s ILE 126 CO 0.73 0.00 0.65 0.42 -1.23 0.00 0.00 174.94 175.51 3huw s THR 127 N -3.30 -0.00 -0.65 2.92 -4.23 -1.26 -3.47 115.64 105.65 3huw s THR 127 Ca 0.64 0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 61.00 3huw s THR 127 Cb -0.08 -0.93 0.14 0.00 1.34 0.00 0.00 72.50 72.98 3huw s THR 127 CO 0.46 0.00 0.66 -0.69 -0.54 0.00 0.00 174.62 174.51 3huw s VAL 128 N 1.14 5.16 -0.64 2.29 1.01 -0.05 -1.39 120.40 127.91 3huw s VAL 128 Ca -0.06 -1.58 -0.00 0.00 0.00 0.00 0.00 61.98 60.33 3huw s VAL 128 Cb -0.05 -4.44 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 3huw s VAL 128 CO -0.11 -1.02 0.54 0.59 0.00 0.00 0.00 175.10 175.09 3huw n ASN 129 N 5.35 -2.32 0.00 3.32 4.13 0.16 -4.05 115.26 121.86 3huw n ASN 129 Ca -0.04 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.88 3huw n ASN 129 Cb 0.43 -3.01 0.00 0.00 -1.54 0.00 0.00 39.78 35.66 3huw n ASN 129 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3huw n GLY 130 N -1.10 2.08 3.60 7.41 0.00 -1.26 -4.98 105.19 110.93 3huw n GLY 130 Ca -0.14 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3huw n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huw n ARG 131 N 0.00 1.18 -2.65 1.61 3.00 -1.26 -4.73 116.66 113.82 3huw n ARG 131 Ca 0.00 0.43 -0.25 0.00 -0.01 0.00 0.00 57.85 58.02 3huw n ARG 131 Cb 0.00 -2.04 0.02 0.00 0.00 0.00 0.00 32.46 30.44 3huw n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3huw s ARG 132 N -2.19 3.07 -0.09 5.56 1.70 -1.26 -0.87 118.95 124.88 3huw s ARG 132 Ca 0.66 -0.15 -0.07 0.00 -0.47 0.00 0.00 55.73 55.70 3huw s ARG 132 Cb -0.51 -2.39 0.03 0.00 -0.57 0.00 0.00 34.95 31.50 3huw s ARG 132 CO 0.54 -0.46 0.23 0.08 -1.08 0.00 0.00 175.30 174.62 3huw s VAL 133 N -2.79 -0.01 -0.20 4.99 1.01 -1.23 -4.81 120.40 117.37 3huw s VAL 133 Ca 0.51 0.03 0.12 0.00 0.00 0.00 0.00 61.98 62.63 3huw s VAL 133 Cb -0.10 -0.33 0.41 0.00 0.00 0.00 0.00 36.38 36.36 3huw s VAL 133 CO 0.42 0.01 1.21 -0.90 0.00 0.00 0.00 175.10 175.85 3huw n ASP 134 N 3.17 1.71 -4.17 3.32 3.85 -1.16 -4.41 116.55 118.86 3huw n ASP 134 Ca -0.15 -3.81 -0.40 0.00 -0.71 0.00 0.00 54.79 49.73 3huw n ASP 134 Cb 0.57 -0.52 -0.08 0.00 -1.35 0.00 0.00 41.12 39.75 3huw n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3huw s LEU 135 N -3.11 5.65 0.00 -2.12 2.01 -1.26 -4.10 118.68 115.75 3huw s LEU 135 Ca 0.38 -2.46 0.00 0.00 0.01 0.00 0.00 54.13 52.05 3huw s LEU 135 Cb 0.37 -1.96 0.00 0.00 0.01 0.00 0.00 46.19 44.60 3huw s LEU 135 CO -0.07 -0.52 0.08 -2.65 1.01 0.00 0.00 176.35 174.20 3huw n PRO 136 N 4.11 0.10 0.00 1.29 -0.02 -1.26 -0.79 135.00 138.43 3huw n PRO 136 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3huw n PRO 136 Cb 0.41 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 3huw n PRO 136 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3huw n SER 137 N -0.10 0.11 -4.45 2.55 3.41 -1.26 -4.16 113.62 109.73 3huw n SER 137 Ca 0.00 -0.48 -0.47 0.00 -0.26 0.00 0.00 58.87 57.66 3huw n SER 137 Cb 0.01 0.67 -0.09 0.00 -0.26 0.00 0.00 64.21 64.54 3huw n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3huw n TYR 138 N -0.67 1.31 -2.23 7.33 9.36 0.03 -4.62 117.16 127.68 3huw n TYR 138 Ca 0.00 0.33 -0.43 0.00 3.32 0.00 0.00 57.90 61.12 3huw n TYR 138 Cb 0.01 -2.49 -0.02 0.00 -0.63 0.00 0.00 39.34 36.20 3huw n TYR 138 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3huw s ARG 139 N 7.11 3.43 0.12 2.98 6.06 -1.25 0.18 118.95 137.58 3huw s ARG 139 Ca 1.14 1.04 -0.30 0.00 -2.50 0.00 0.00 55.73 55.12 3huw s ARG 139 Cb -0.90 -4.10 -0.06 0.00 0.06 0.00 0.00 34.95 29.95 3huw s ARG 139 CO 0.47 -1.74 0.94 0.08 -2.50 0.00 0.00 175.30 172.55 3huw s VAL 140 N 6.11 4.47 0.44 7.11 1.01 0.24 -4.97 120.40 134.81 3huw s VAL 140 Ca 0.67 2.04 -0.07 0.00 0.00 0.00 0.00 61.98 64.61 3huw s VAL 140 Cb -0.16 -4.31 0.11 0.00 0.00 0.00 0.00 36.38 32.02 3huw s VAL 140 CO 0.32 0.34 0.48 0.54 0.00 0.00 0.00 175.10 176.79 3huw n ARG 141 N 2.64 -1.19 -3.45 2.72 5.12 -1.26 -4.93 116.66 116.31 3huw n ARG 141 Ca 0.01 -0.76 -0.33 0.00 -1.93 0.00 0.00 57.85 54.84 3huw n ARG 141 Cb 0.49 -0.60 -0.05 0.00 -1.16 0.00 0.00 32.46 31.14 3huw n ARG 141 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3huw s PRO 142 N -4.08 3.83 -0.88 5.56 0.02 -1.26 -4.25 135.00 133.95 3huw s PRO 142 Ca 0.29 0.29 -0.03 0.00 0.02 0.00 0.00 61.00 61.58 3huw s PRO 142 Cb -0.02 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.69 3huw s PRO 142 CO 0.21 0.43 0.75 0.41 -0.33 0.00 0.00 177.00 178.47 3huw n GLY 143 N 0.37 -0.10 3.49 0.52 0.00 0.93 -4.96 105.19 105.43 3huw n GLY 143 Ca -0.03 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3huw n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3huw s ASP 144 N -3.62 4.19 -0.28 1.61 1.01 -1.26 -4.85 116.67 113.47 3huw s ASP 144 Ca 0.18 -0.17 -0.20 0.00 0.71 0.00 0.00 52.55 53.07 3huw s ASP 144 Cb -0.08 -1.05 -0.01 0.00 1.01 0.00 0.00 42.92 42.78 3huw s ASP 144 CO 0.50 0.32 0.62 -0.70 0.21 0.00 0.00 175.17 176.12 3huw s GLU 145 N -0.57 4.00 -1.05 8.23 2.12 -1.26 -1.79 118.70 128.38 3huw s GLU 145 Ca 0.08 0.41 -0.03 0.00 0.36 0.00 0.00 54.97 55.79 3huw s GLU 145 Cb -0.12 -3.69 0.31 0.00 0.26 0.00 0.00 34.13 30.90 3huw s GLU 145 CO 0.01 -0.49 1.52 -0.89 -0.54 0.00 0.00 175.26 174.88 3huw n ILE 146 N 5.29 5.38 0.00 -3.70 -0.00 -1.26 0.39 119.36 125.47 3huw n ILE 146 Ca -0.01 -5.93 0.00 0.00 -0.00 0.00 0.00 62.75 56.81 3huw n ILE 146 Cb 0.49 -1.97 0.00 0.00 -0.00 0.00 0.00 39.64 38.16 3huw n ILE 146 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3huw n ALA 147 N 1.02 0.00 -3.56 -1.39 0.00 -0.49 -3.24 120.51 112.85 3huw n ALA 147 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.73 3huw n ALA 147 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 3huw n ALA 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3huw s VAL 148 N 0.00 -0.97 -0.14 0.00 1.01 -1.08 -4.00 120.40 115.23 3huw s VAL 148 Ca 0.00 0.01 -0.39 0.00 0.00 0.00 0.00 61.98 61.60 3huw s VAL 148 Cb 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 36.38 35.25 3huw s VAL 148 CO 0.00 0.00 1.59 0.00 0.00 0.00 0.00 175.10 176.69 3huw n ALA 149 N 5.44 -0.51 -0.35 5.51 0.00 0.19 -4.75 120.51 126.03 3huw n ALA 149 Ca -0.10 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 3huw n ALA 149 Cb 0.49 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 3huw n ALA 149 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3huw n GLU 150 N 4.26 -0.37 0.32 0.00 0.00 -1.26 0.31 120.64 123.91 3huw n GLU 150 Ca 0.23 1.28 0.15 0.00 0.00 0.00 0.00 57.16 58.82 3huw n GLU 150 Cb 0.15 -1.88 0.76 0.00 0.00 0.00 0.00 31.44 30.47 3huw n GLU 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3huw h LYS 151 N 0.00 0.00 0.13 3.44 3.64 -1.95 -0.39 116.57 121.44 3huw h LYS 151 Ca 0.14 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.20 3huw h LYS 151 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3huw h LYS 151 CO -0.80 0.00 -1.64 0.77 -2.27 0.00 0.00 179.45 175.51 3huw h SER 152 N 0.00 0.42 0.00 4.20 0.02 -0.44 -3.44 113.55 114.31 3huw h SER 152 Ca 0.01 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 3huw h SER 152 Cb 0.79 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3huw h SER 152 CO -0.00 1.54 0.00 0.54 -1.14 0.00 0.00 176.83 177.77 3huw n ARG 153 N -3.46 0.00 0.00 3.45 1.74 -0.16 -2.95 116.66 115.28 3huw n ARG 153 Ca -0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 3huw n ARG 153 Cb 1.05 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.49 3huw n ARG 153 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3huw n ASN 154 N 0.00 0.00 -0.35 0.55 3.02 -1.26 -4.09 115.26 113.12 3huw n ASN 154 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3huw n ASN 154 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3huw n ASN 154 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3huw n LEU 155 N 0.00 0.00 0.00 3.41 4.77 -1.15 -2.92 117.00 121.10 3huw n LEU 155 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3huw n LEU 155 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3huw n LEU 155 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3huw n GLU 156 N 0.08 0.00 -0.24 3.23 4.71 -1.26 0.35 120.64 127.50 3huw n GLU 156 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.29 3huw n GLU 156 Cb 0.00 0.00 0.28 0.00 -1.01 0.00 0.00 31.44 30.71 3huw n GLU 156 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3huw n LEU 157 N -0.08 0.02 0.41 -4.62 4.32 -1.26 0.15 117.00 115.94 3huw n LEU 157 Ca 0.00 1.21 -0.17 0.00 -0.02 0.00 0.00 56.01 57.04 3huw n LEU 157 Cb 0.00 -0.49 -0.08 0.00 -1.62 0.00 0.00 43.42 41.23 3huw n LEU 157 CO 0.00 -1.27 0.47 0.40 -1.22 0.00 0.00 177.39 175.77 3huw h ILE 158 N 0.00 0.07 0.00 -0.08 1.08 -0.29 -2.09 117.51 116.20 3huw h ILE 158 Ca 0.49 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.77 3huw h ILE 158 Cb 1.12 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3huw h ILE 158 CO -0.64 0.01 0.00 0.54 -0.69 0.00 0.00 178.15 177.37 3huw n ARG 159 N -5.49 0.00 -0.14 2.37 5.12 0.40 -1.11 116.66 117.81 3huw n ARG 159 Ca -0.14 0.52 -0.04 0.00 -1.93 0.00 0.00 57.85 56.27 3huw n ARG 159 Cb 0.42 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 3huw n ARG 159 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3huw n GLN 160 N -1.84 -0.15 -0.07 5.56 6.02 0.23 -0.26 117.38 126.87 3huw n GLN 160 Ca 0.00 0.66 -0.07 0.00 -0.01 0.00 0.00 57.00 57.58 3huw n GLN 160 Cb 0.00 -0.98 -0.01 0.00 1.02 0.00 0.00 30.24 30.28 3huw n GLN 160 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3huw h ASN 161 N 0.00 -0.02 0.00 1.08 2.35 -1.32 -1.57 115.58 116.10 3huw h ASN 161 Ca 0.05 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3huw h ASN 161 Cb 0.14 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3huw h ASN 161 CO -0.32 0.02 0.05 0.18 -1.65 0.00 0.00 177.43 175.71 3huw n LEU 162 N -5.10 0.00 0.06 1.61 4.77 0.64 -0.54 117.00 118.44 3huw n LEU 162 Ca -0.01 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3huw n LEU 162 Cb 0.13 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3huw n LEU 162 CO 0.26 -0.24 0.20 -0.08 -1.33 0.00 0.00 177.39 176.20 3huw h GLU 163 N 0.00 0.42 -0.10 3.23 4.57 -1.04 -3.05 114.58 118.61 3huw h GLU 163 Ca 0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3huw h GLU 163 Cb 0.09 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3huw h GLU 163 CO 0.00 1.10 0.00 0.00 -1.18 0.00 0.00 179.01 178.93 3huw n ALA 164 N -2.54 2.54 0.74 2.92 0.00 0.30 -2.81 120.51 121.66 3huw n ALA 164 Ca -0.07 -0.29 0.08 0.00 0.00 0.00 0.00 53.44 53.16 3huw n ALA 164 Cb 0.82 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 3huw n ALA 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3huw n MET 165 N -0.21 1.77 -3.26 0.00 2.81 -1.16 -3.87 117.12 113.20 3huw n MET 165 Ca 0.11 -0.21 -0.45 0.00 -1.81 0.00 0.00 57.70 55.35 3huw n MET 165 Cb 0.16 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3huw n MET 165 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3huw n LYS 166 N -1.06 3.60 0.00 0.03 5.02 -1.12 -4.09 118.16 120.54 3huw n LYS 166 Ca 0.04 -4.39 0.00 0.00 -2.02 0.00 0.00 58.31 51.94 3huw n LYS 166 Cb 0.27 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 3huw n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3huw n GLY 167 N 2.72 1.29 3.79 0.72 0.00 -1.26 -5.01 105.19 107.44 3huw n GLY 167 Ca 0.26 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3huw n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huw s ARG 168 N 0.00 3.91 -0.17 1.61 0.52 -1.25 -5.05 118.95 118.52 3huw s ARG 168 Ca 0.00 1.44 -0.08 0.00 -0.52 0.00 0.00 55.73 56.57 3huw s ARG 168 Cb 0.00 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 3huw s ARG 168 CO 0.00 -0.35 0.09 0.21 0.02 0.00 0.00 175.30 175.28 3huw s LYS 169 N -2.95 3.87 -0.25 3.54 2.36 -1.26 -4.91 119.74 120.14 3huw s LYS 169 Ca 0.64 -0.27 -0.14 0.00 -2.55 0.00 0.00 55.97 53.65 3huw s LYS 169 Cb -0.19 -3.24 -0.04 0.00 -1.05 0.00 0.00 37.83 33.30 3huw s LYS 169 CO 0.23 0.41 0.33 0.08 1.55 0.00 0.00 175.35 177.95 3huw s VAL 170 N 0.00 5.22 0.62 4.02 1.01 -1.26 -5.06 120.40 124.96 3huw s VAL 170 Ca 0.08 0.50 -0.14 0.00 0.00 0.00 0.00 61.98 62.42 3huw s VAL 170 Cb -0.12 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 3huw s VAL 170 CO 0.00 0.22 -0.40 0.61 0.00 0.00 0.00 175.10 175.53 3huw n GLY 171 N 4.47 -3.21 0.00 4.51 0.00 -1.26 -4.63 105.19 105.07 3huw n GLY 171 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3huw n GLY 171 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3huw n PRO 172 N 1.64 0.00 0.00 1.61 -0.02 -1.26 -1.67 135.00 135.30 3huw n PRO 172 Ca 0.02 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3huw n PRO 172 Cb 0.42 -0.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 3huw n PRO 172 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3huw n TRP 173 N -0.19 0.00 -3.79 6.00 2.14 -1.26 -4.02 117.44 116.31 3huw n TRP 173 Ca 0.00 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.29 3huw n TRP 173 Cb 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.34 3huw n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3huw s LEU 174 N -1.75 1.49 -0.37 5.67 1.43 -0.67 0.12 118.68 124.60 3huw s LEU 174 Ca 0.00 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.17 3huw s LEU 174 Cb 0.00 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.54 3huw s LEU 174 CO 0.00 -0.28 0.16 -0.94 0.23 0.00 0.00 176.35 175.52 3huw s SER 175 N 1.75 5.44 0.20 2.29 1.04 -1.13 -4.42 113.70 118.87 3huw s SER 175 Ca -0.02 -1.29 -0.10 0.00 0.48 0.00 0.00 55.95 55.03 3huw s SER 175 Cb -0.17 -1.91 -0.07 0.00 0.10 0.00 0.00 66.02 63.97 3huw s SER 175 CO -0.07 -0.40 0.52 -0.22 0.98 0.00 0.00 173.24 174.04 3huw s LEU 176 N 1.40 4.22 -0.74 2.42 2.96 -1.26 -3.08 118.68 124.61 3huw s LEU 176 Ca 0.01 0.91 0.04 0.00 -0.22 0.00 0.00 54.13 54.86 3huw s LEU 176 Cb -0.21 -3.53 0.18 0.00 0.50 0.00 0.00 46.19 43.14 3huw s LEU 176 CO 0.02 -0.01 0.55 -0.67 -1.32 0.00 0.00 176.35 174.92 3huw n ASP 177 N 0.12 3.25 0.00 3.68 -0.08 -0.08 -4.97 116.55 118.46 3huw n ASP 177 Ca -0.01 -3.21 0.00 0.00 -1.51 0.00 0.00 54.79 50.05 3huw n ASP 177 Cb 0.52 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.18 3huw n ASP 177 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3huw n VAL 178 N 1.96 0.89 -0.12 5.18 0.31 -1.26 -2.36 118.33 122.92 3huw n VAL 178 Ca 0.21 0.47 -0.23 0.00 -0.01 0.00 0.00 64.34 64.77 3huw n VAL 178 Cb 0.35 -1.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.74 3huw n VAL 178 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3huw n GLU 179 N -1.21 0.57 0.00 5.55 1.02 -1.26 -4.36 120.64 120.95 3huw n GLU 179 Ca 0.00 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.48 3huw n GLU 179 Cb 0.25 -1.47 0.54 0.00 -0.02 0.00 0.00 31.44 30.74 3huw n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3huw n GLY 180 N 1.32 -0.80 3.07 0.62 0.00 -1.09 -4.90 105.19 103.41 3huw n GLY 180 Ca -0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 3huw n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3huw n MET 181 N -1.16 -1.53 -3.64 1.61 2.81 -0.99 -4.83 117.12 109.39 3huw n MET 181 Ca 0.12 1.57 -0.03 0.00 -1.81 0.00 0.00 57.70 57.55 3huw n MET 181 Cb 0.12 -5.50 -0.03 0.00 -0.71 0.00 0.00 33.22 27.10 3huw n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3huw s LYS 182 N -3.04 0.08 0.00 0.03 -2.85 -1.23 -2.62 119.74 110.12 3huw s LYS 182 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.00 3huw s LYS 182 Cb -0.01 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 3huw s LYS 182 CO 0.76 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 176.59 3huw n GLY 183 N 0.15 4.39 0.00 0.59 0.00 -1.20 -0.90 105.19 108.22 3huw n GLY 183 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3huw n GLY 183 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3huw n LYS 184 N 0.00 0.00 -3.18 1.61 4.81 -1.18 -4.07 118.16 116.15 3huw n LYS 184 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 3huw n LYS 184 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3huw n LYS 184 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3huw n PHE 185 N -0.08 4.80 -0.33 5.64 7.35 -0.74 -2.82 117.46 131.28 3huw n PHE 185 Ca 0.00 -3.61 -0.08 0.00 -0.76 0.00 0.00 57.45 53.00 3huw n PHE 185 Cb 0.00 -1.77 -0.07 0.00 0.35 0.00 0.00 39.48 37.99 3huw n PHE 185 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3huw n LEU 186 N 3.18 -0.81 0.00 -2.13 4.77 0.32 0.31 117.00 122.65 3huw n LEU 186 Ca 0.28 1.40 -0.10 0.00 -0.03 0.00 0.00 56.01 57.55 3huw n LEU 186 Cb 0.39 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3huw n LEU 186 CO 0.54 -1.15 0.37 -2.11 -1.33 0.00 0.00 177.39 173.71 3huw n ARG 187 N -5.00 0.91 -1.88 3.23 0.00 -1.25 -3.70 116.66 108.97 3huw n ARG 187 Ca 0.02 -2.27 -0.43 0.00 -0.00 0.00 0.00 57.85 55.17 3huw n ARG 187 Cb 0.21 2.56 -0.03 0.00 -0.00 0.00 0.00 32.46 35.21 3huw n ARG 187 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3huw s LEU 188 N 0.00 3.79 0.90 2.89 1.43 -1.26 -4.64 118.68 121.79 3huw s LEU 188 Ca 0.19 1.80 -0.17 0.00 -1.03 0.00 0.00 54.13 54.93 3huw s LEU 188 Cb -0.03 -3.52 -0.14 0.00 0.03 0.00 0.00 46.19 42.52 3huw s LEU 188 CO 0.14 -1.50 -0.61 -0.81 0.23 0.00 0.00 176.35 173.80 3huw n PRO 189 N 8.08 -0.01 -4.96 1.29 -0.04 -1.26 -4.98 135.00 133.13 3huw n PRO 189 Ca 0.23 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.36 3huw n PRO 189 Cb 0.45 -1.05 -0.14 0.00 -0.04 0.00 0.00 33.50 32.72 3huw n PRO 189 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3huw s ASP 190 N -1.05 3.80 0.21 3.54 2.15 -1.26 -4.91 116.67 119.16 3huw s ASP 190 Ca 0.44 -0.29 -0.19 0.00 0.43 0.00 0.00 52.55 52.94 3huw s ASP 190 Cb -0.24 -0.96 0.18 0.00 -0.30 0.00 0.00 42.92 41.60 3huw s ASP 190 CO 0.79 0.29 1.58 -0.09 -0.17 0.00 0.00 175.17 177.57 3huw h ARG 191 N 5.74 -0.09 -0.88 4.34 9.65 -1.93 0.14 114.38 131.35 3huw h ARG 191 Ca -0.40 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.54 3huw h ARG 191 Cb 1.17 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.71 3huw h ARG 191 CO 0.51 -0.06 0.56 1.49 2.80 0.00 0.00 179.97 185.26 3huw h GLU 192 N -0.10 1.03 0.00 0.20 4.57 -2.00 -1.63 114.58 116.66 3huw h GLU 192 Ca 0.28 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3huw h GLU 192 Cb 0.57 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3huw h GLU 192 CO -0.79 0.68 0.00 -0.25 -1.18 0.00 0.00 179.01 177.47 3huw n ASP 193 N -4.56 0.00 -4.84 1.04 8.00 0.47 -4.64 116.55 112.02 3huw n ASP 193 Ca 0.12 0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.41 3huw n ASP 193 Cb 0.13 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3huw n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3huw s LEU 194 N -2.19 3.42 -0.30 0.64 2.01 -0.61 -4.93 118.68 116.71 3huw s LEU 194 Ca 0.05 -0.70 -0.07 0.00 0.01 0.00 0.00 54.13 53.42 3huw s LEU 194 Cb 0.02 -2.02 0.18 0.00 0.01 0.00 0.00 46.19 44.39 3huw s LEU 194 CO 0.04 -0.52 0.81 0.00 1.01 0.00 0.00 176.35 177.69 3huw s ALA 195 N -2.43 -2.79 0.08 4.21 0.00 -1.26 -5.03 121.76 114.54 3huw s ALA 195 Ca 0.44 1.67 -0.06 0.00 0.00 0.00 0.00 51.96 54.01 3huw s ALA 195 Cb -0.03 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 3huw s ALA 195 CO 0.26 -1.38 0.13 -0.51 0.00 0.00 0.00 175.76 174.26 3huw s LEU 196 N 2.90 1.71 0.00 0.00 1.02 -1.26 -5.01 118.68 118.04 3huw s LEU 196 Ca 0.11 -0.77 0.00 0.00 0.02 0.00 0.00 54.13 53.48 3huw s LEU 196 Cb -0.13 0.79 0.00 0.00 0.02 0.00 0.00 46.19 46.87 3huw s LEU 196 CO -0.16 -0.70 0.60 -0.81 0.02 0.00 0.00 176.35 175.30 3huw n PRO 197 N -0.02 0.74 -3.62 1.29 -0.04 -1.26 -4.73 135.00 127.35 3huw n PRO 197 Ca -0.14 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.94 3huw n PRO 197 Cb 0.62 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.76 3huw n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3huw s VAL 198 N -0.20 5.31 -1.18 0.52 1.01 -1.26 -4.96 120.40 119.64 3huw s VAL 198 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 3huw s VAL 198 Cb 0.00 -3.51 0.14 0.00 0.00 0.00 0.00 36.38 33.01 3huw s VAL 198 CO 0.00 0.29 1.45 0.21 0.00 0.00 0.00 175.10 177.05 3huw s ASN 199 N 1.51 6.94 0.22 3.32 3.84 -1.26 -4.86 114.94 124.64 3huw s ASN 199 Ca 0.07 -2.68 0.15 0.00 0.21 0.00 0.00 52.86 50.61 3huw s ASN 199 Cb -0.15 -2.45 0.79 0.00 -0.55 0.00 0.00 41.25 38.89 3huw s ASN 199 CO 0.09 -0.91 0.88 1.21 -2.79 0.00 0.00 177.10 175.57 3huw n GLU 200 N 6.49 -0.03 0.02 0.43 2.13 -1.26 0.41 120.64 128.84 3huw n GLU 200 Ca 0.37 0.74 -0.12 0.00 0.66 0.00 0.00 57.16 58.81 3huw n GLU 200 Cb 0.45 -1.38 -0.09 0.00 0.27 0.00 0.00 31.44 30.68 3huw n GLU 200 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3huw h GLN 201 N 0.00 -0.11 -0.84 5.31 1.08 -1.91 -3.30 115.11 115.34 3huw h GLN 201 Ca 0.48 0.01 0.27 0.00 -1.45 0.00 0.00 58.65 57.96 3huw h GLN 201 Cb 1.40 0.02 -0.15 0.00 -0.05 0.00 0.00 27.48 28.70 3huw h GLN 201 CO -0.36 0.40 0.16 1.28 -0.95 0.00 0.00 178.83 179.36 3huw n LEU 202 N -4.87 0.03 0.18 1.46 7.99 0.17 -0.29 117.00 121.66 3huw n LEU 202 Ca -0.08 1.42 -0.14 0.00 -0.01 0.00 0.00 56.01 57.19 3huw n LEU 202 Cb 0.28 -0.57 -0.08 0.00 -0.11 0.00 0.00 43.42 42.94 3huw n LEU 202 CO 0.30 -1.48 0.67 0.58 -1.51 0.00 0.00 177.39 175.95 3huw h VAL 203 N 0.00 0.72 -0.84 4.08 2.07 -1.63 0.16 116.25 120.80 3huw h VAL 203 Ca 0.58 -0.28 0.19 0.00 0.82 0.00 0.00 66.70 68.00 3huw h VAL 203 Cb 1.32 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 31.85 3huw h VAL 203 CO -0.74 0.06 0.34 0.40 0.02 0.00 0.00 177.57 177.65 3huw h ILE 204 N -0.57 0.54 0.00 4.57 1.08 -0.76 0.79 117.51 123.16 3huw h ILE 204 Ca -0.04 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 3huw h ILE 204 Cb 0.42 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 3huw h ILE 204 CO 0.07 0.08 -0.25 -0.33 -0.69 0.00 0.00 178.15 177.02 3huw h GLU 205 N 0.41 0.00 -0.09 2.37 5.08 -1.06 -2.97 114.58 118.32 3huw h GLU 205 Ca 0.50 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.82 3huw h GLU 205 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3huw h GLU 205 CO -0.49 0.25 -0.11 0.35 -1.00 0.00 0.00 179.01 178.01 3huw h PHE 206 N 0.00 0.14 -1.81 4.33 3.57 0.27 -3.38 116.94 120.06 3huw h PHE 206 Ca -0.00 -0.01 -0.71 0.00 3.53 0.00 0.00 57.97 60.77 3huw h PHE 206 Cb 0.47 -0.04 -0.15 0.00 2.79 0.00 0.00 35.95 39.02 3huw h PHE 206 CO 0.00 0.25 1.55 0.71 -2.23 0.00 0.00 178.31 178.59 3huw s TYR 207 N -4.78 3.26 0.00 0.41 1.51 -1.12 -3.42 117.35 113.21 3huw s TYR 207 Ca -0.05 -1.91 0.00 0.00 -1.01 0.00 0.00 57.07 54.10 3huw s TYR 207 Cb 0.16 -4.44 0.00 0.00 -0.11 0.00 0.00 41.96 37.57 3huw s TYR 207 CO 0.71 -1.53 0.04 0.43 -1.11 0.00 0.00 175.55 174.10 3huw n SER 208 N 6.53 -0.04 0.00 2.29 7.64 -1.26 -5.09 113.62 123.69 3huw n SER 208 Ca 0.39 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.18 3huw n SER 208 Cb 0.44 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3huw n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89