#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxr s PRO 12 N 0.00 3.04 -0.27 0.00 0.04 -1.26 -4.98 135.00 131.56 1sxr s PRO 12 Ca 0.00 1.41 -0.22 0.00 0.04 0.00 0.00 61.00 62.22 1sxr s PRO 12 Cb 0.00 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1sxr s PRO 12 CO 0.00 -1.07 0.73 -0.08 0.04 0.00 0.00 177.00 176.62 1sxr s THR 13 N -2.22 4.88 -0.00 1.26 -1.32 -1.26 -5.02 115.64 111.96 1sxr s THR 13 Ca 0.68 1.24 -0.22 0.00 -1.21 0.00 0.00 61.69 62.18 1sxr s THR 13 Cb -0.20 -4.05 -0.05 0.00 -1.51 0.00 0.00 72.50 66.69 1sxr s THR 13 CO 0.37 -0.09 0.66 -0.63 -2.21 0.00 0.00 174.62 172.72 1sxr s ILE 14 N 2.73 4.88 -0.60 5.08 1.01 -1.26 -4.53 121.20 128.52 1sxr s ILE 14 Ca 0.30 1.39 -0.25 0.00 0.00 0.00 0.00 60.65 62.09 1sxr s ILE 14 Cb -0.15 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.36 1sxr s ILE 14 CO 0.10 0.37 1.03 -0.54 0.00 0.00 0.00 174.94 175.90 1sxr s LYS 15 N 0.04 3.30 0.85 2.79 3.01 0.07 -4.91 119.74 124.89 1sxr s LYS 15 Ca 0.34 -0.28 -0.11 0.00 -1.01 0.00 0.00 55.97 54.91 1sxr s LYS 15 Cb -0.19 -4.10 0.10 0.00 -1.01 0.00 0.00 37.83 32.64 1sxr s LYS 15 CO 0.19 -1.67 1.09 -0.51 0.51 0.00 0.00 175.35 174.96 1sxr s LEU 16 N 4.38 2.55 0.21 3.17 1.43 -1.26 -0.81 118.68 128.35 1sxr s LEU 16 Ca 0.32 1.61 -0.13 0.00 -1.03 0.00 0.00 54.13 54.90 1sxr s LEU 16 Cb -0.12 -4.14 0.25 0.00 0.03 0.00 0.00 46.19 42.21 1sxr s LEU 16 CO 0.18 -2.41 1.63 0.50 0.23 0.00 0.00 176.35 176.48 1sxr h LYS 17 N -1.39 0.01 -0.93 1.70 1.63 -1.91 0.13 116.57 115.80 1sxr h LYS 17 Ca -0.47 -0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.46 1sxr h LYS 17 Cb 1.26 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.82 1sxr h LYS 17 CO 0.53 0.01 0.60 -0.09 -3.45 0.00 0.00 179.45 177.04 1sxr h ARG 18 N 0.01 0.79 0.00 1.90 2.43 -1.92 0.57 114.38 118.16 1sxr h ARG 18 Ca 0.31 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1sxr h ARG 18 Cb 0.48 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1sxr h ARG 18 CO -0.65 0.52 -0.24 1.96 -1.51 0.00 0.00 179.97 180.05 1sxr h GLN 19 N 0.81 0.00 -0.37 0.20 4.20 -1.08 -2.49 115.11 116.39 1sxr h GLN 19 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1sxr h GLN 19 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1sxr h GLN 19 CO -0.23 0.24 0.00 -2.67 -0.67 0.00 0.00 178.83 175.50 1sxr n TRP 20 N -3.43 0.48 -0.83 2.96 4.27 -0.86 -4.97 117.44 115.07 1sxr n TRP 20 Ca -0.00 -0.31 0.00 0.00 -3.89 0.00 0.00 57.50 53.30 1sxr n TRP 20 Cb 0.43 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.37 1sxr n TRP 20 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1sxr n GLY 21 N 1.15 0.49 3.85 -1.67 0.00 -0.66 -4.73 105.19 103.62 1sxr n GLY 21 Ca 0.16 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1sxr n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxr s GLY 22 N -2.77 1.78 0.37 -0.02 0.00 0.10 -4.92 107.32 101.86 1sxr s GLY 22 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1sxr s GLY 22 CO 0.00 0.34 0.57 0.54 0.00 0.00 0.00 173.10 174.55 1sxr s LYS 23 N -4.83 3.41 0.75 2.90 1.02 -1.26 -4.49 119.74 117.24 1sxr s LYS 23 Ca 0.57 -0.37 -0.14 0.00 0.02 0.00 0.00 55.97 56.05 1sxr s LYS 23 Cb -0.12 -2.65 0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1sxr s LYS 23 CO 0.48 0.07 1.20 -2.14 -0.92 0.00 0.00 175.35 174.04 1sxr s PRO 24 N -4.36 2.04 0.64 -1.68 0.02 -1.26 -4.98 135.00 125.42 1sxr s PRO 24 Ca 0.42 1.72 -0.18 0.00 0.02 0.00 0.00 61.00 62.97 1sxr s PRO 24 Cb -0.10 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 1sxr s PRO 24 CO 0.36 -1.90 1.19 0.45 -0.33 0.00 0.00 177.00 176.77 1sxr n SER 25 N -2.89 1.63 -0.14 2.53 2.88 -1.26 -4.92 113.62 111.44 1sxr n SER 25 Ca 0.13 0.81 0.14 0.00 -1.33 0.00 0.00 58.87 58.62 1sxr n SER 25 Cb 0.50 -1.50 0.55 0.00 -0.75 0.00 0.00 64.21 63.01 1sxr n SER 25 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sxr n LEU 26 N -1.60 0.60 0.00 2.46 4.77 0.17 -4.85 117.00 118.55 1sxr n LEU 26 Ca 0.15 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1sxr n LEU 26 Cb 0.48 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1sxr n LEU 26 CO 0.48 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1sxr n GLY 27 N 1.30 0.45 3.74 -0.72 0.00 -1.26 -5.03 105.19 103.66 1sxr n GLY 27 Ca 0.14 0.66 -0.38 0.00 0.00 0.00 0.00 46.02 46.44 1sxr n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxr s LEU 28 N 0.00 4.32 -0.15 0.99 1.43 -1.26 -4.89 118.68 119.12 1sxr s LEU 28 Ca 0.00 0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1sxr s LEU 28 Cb 0.00 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.45 1sxr s LEU 28 CO 0.00 0.02 -0.09 -1.00 0.23 0.00 0.00 176.35 175.51 1sxr s HIS 29 N 0.40 1.83 0.25 0.29 3.76 -1.26 -5.06 115.29 115.50 1sxr s HIS 29 Ca 0.29 -1.07 -0.17 0.00 -0.15 0.00 0.00 55.06 53.96 1sxr s HIS 29 Cb -0.16 -1.40 -0.08 0.00 1.11 0.00 0.00 32.58 32.05 1sxr s HIS 29 CO 0.13 -0.61 0.70 0.71 -0.85 0.00 0.00 174.74 174.82 1sxr s TYR 30 N 1.59 3.53 0.37 1.40 2.02 -1.26 -0.32 117.35 124.68 1sxr s TYR 30 Ca 0.03 1.26 0.02 0.00 -0.37 0.00 0.00 57.07 58.00 1sxr s TYR 30 Cb -0.14 -2.54 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 1sxr s TYR 30 CO -0.09 0.26 0.56 -0.65 -1.57 0.00 0.00 175.55 174.06 1sxr s GLN 31 N -2.39 3.29 -0.19 -0.62 -0.21 0.13 -4.77 119.66 114.91 1sxr s GLN 31 Ca 0.47 -0.52 -0.20 0.00 0.02 0.00 0.00 55.36 55.14 1sxr s GLN 31 Cb -0.14 -2.67 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 1sxr s GLN 31 CO 0.19 0.02 0.57 0.08 -2.12 0.00 0.00 175.29 174.03 1sxr s VAL 32 N -2.35 5.08 0.11 1.09 1.01 -1.26 -4.93 120.40 119.15 1sxr s VAL 32 Ca 0.43 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.50 1sxr s VAL 32 Cb -0.10 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1sxr s VAL 32 CO 0.35 0.17 0.21 -0.13 0.00 0.00 0.00 175.10 175.70 1sxr s ARG 33 N 1.62 3.28 0.46 2.72 0.52 -1.26 -4.06 118.95 122.23 1sxr s ARG 33 Ca 0.27 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.71 1sxr s ARG 33 Cb -0.16 -2.91 -0.09 0.00 0.52 0.00 0.00 34.95 32.31 1sxr s ARG 33 CO 0.10 0.55 0.93 -1.25 0.02 0.00 0.00 175.30 175.65 1sxr s PRO 34 N -2.84 4.03 0.25 3.54 0.04 -1.26 -5.12 135.00 133.64 1sxr s PRO 34 Ca 0.33 0.93 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 1sxr s PRO 34 Cb -0.12 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1sxr s PRO 34 CO 0.27 -0.13 0.89 0.42 0.04 0.00 0.00 177.00 178.49 1sxr s ILE 35 N -2.39 4.20 -1.35 0.56 -1.09 0.06 -4.63 121.20 116.57 1sxr s ILE 35 Ca 0.59 1.88 0.12 0.00 -2.23 0.00 0.00 60.65 61.01 1sxr s ILE 35 Cb -0.10 -4.17 0.06 0.00 -1.58 0.00 0.00 42.46 36.68 1sxr s ILE 35 CO 0.24 0.39 0.81 0.54 -1.23 0.00 0.00 174.94 175.69 1sxr n ARG 36 N 1.20 1.14 -4.22 2.79 1.74 -1.25 -0.64 116.66 117.42 1sxr n ARG 36 Ca -0.02 -1.02 -0.18 0.00 -0.77 0.00 0.00 57.85 55.86 1sxr n ARG 36 Cb 0.48 -1.20 -0.15 0.00 -1.02 0.00 0.00 32.46 30.58 1sxr n ARG 36 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1sxr s TYR 37 N -1.17 0.63 -0.12 -1.55 2.02 -1.22 -0.82 117.35 115.12 1sxr s TYR 37 Ca 0.13 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1sxr s TYR 37 Cb 0.10 -0.46 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 1sxr s TYR 37 CO 0.20 -0.06 -0.22 0.08 -1.57 0.00 0.00 175.55 173.98 1sxr s VAL 38 N 0.15 1.96 -0.18 0.71 1.01 0.12 -0.88 120.40 123.29 1sxr s VAL 38 Ca -0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1sxr s VAL 38 Cb -0.06 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1sxr s VAL 38 CO -0.00 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.89 1sxr s VAL 39 N 0.62 3.50 -0.13 2.92 1.01 -0.26 -0.70 120.40 127.37 1sxr s VAL 39 Ca -0.12 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1sxr s VAL 39 Cb -0.17 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1sxr s VAL 39 CO 0.03 0.46 0.25 -0.63 0.00 0.00 0.00 175.10 175.21 1sxr s ILE 40 N 0.93 5.32 0.22 2.22 -1.09 0.51 -0.90 121.20 128.41 1sxr s ILE 40 Ca -0.01 0.47 0.03 0.00 -2.23 0.00 0.00 60.65 58.91 1sxr s ILE 40 Cb -0.15 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1sxr s ILE 40 CO 0.01 0.49 0.01 -1.00 -1.23 0.00 0.00 174.94 173.22 1sxr s HIS 41 N -0.20 1.45 0.27 3.97 3.76 -0.22 -1.64 115.29 122.68 1sxr s HIS 41 Ca 0.16 -0.99 0.12 0.00 -0.15 0.00 0.00 55.06 54.19 1sxr s HIS 41 Cb -0.13 -0.84 -0.05 0.00 1.11 0.00 0.00 32.58 32.67 1sxr s HIS 41 CO 0.05 -0.14 -0.20 -3.38 -0.85 0.00 0.00 174.74 170.22 1sxr s HIS 42 N -3.55 2.23 -0.39 1.40 -3.43 -1.26 -1.08 115.29 109.22 1sxr s HIS 42 Ca 0.28 -0.36 0.23 0.00 -0.80 0.00 0.00 55.06 54.42 1sxr s HIS 42 Cb 0.06 -0.98 0.11 0.00 -1.43 0.00 0.00 32.58 30.34 1sxr s HIS 42 CO 0.08 0.67 1.13 1.79 -2.00 0.00 0.00 174.74 176.41 1sxr h THR 43 N 2.37 0.00 0.00 -5.38 1.35 -1.19 -3.47 112.91 106.59 1sxr h THR 43 Ca -0.40 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1sxr h THR 43 Cb 1.25 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1sxr h THR 43 CO 0.59 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 176.38 1sxr n VAL 44 N -2.46 0.00 -3.49 6.82 0.31 0.14 -4.83 118.33 114.82 1sxr n VAL 44 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.05 1sxr n VAL 44 Cb 0.51 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.40 1sxr n VAL 44 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1sxr s THR 45 N 0.00 5.08 0.00 2.52 -4.23 -1.26 -3.78 115.64 113.97 1sxr s THR 45 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1sxr s THR 45 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1sxr s THR 45 CO 0.00 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1sxr n GLY 46 N -0.62 1.20 3.62 3.99 0.00 -1.26 -4.30 105.19 107.83 1sxr n GLY 46 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 1sxr n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sxr n GLU 47 N -1.23 1.61 -3.51 1.61 2.13 -1.26 -4.77 120.64 115.22 1sxr n GLU 47 Ca 0.00 0.57 -0.15 0.00 0.66 0.00 0.00 57.16 58.24 1sxr n GLU 47 Cb 0.00 -2.11 -0.05 0.00 0.27 0.00 0.00 31.44 29.55 1sxr n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sxr s SER 49 N -1.64 3.31 0.00 0.00 0.15 -1.26 -2.75 113.70 111.51 1sxr s SER 49 Ca -0.05 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 55.75 1sxr s SER 49 Cb -0.00 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1sxr s SER 49 CO 0.02 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1sxr n GLY 50 N 4.70 -0.48 0.36 9.45 0.00 -1.26 -4.32 105.19 113.64 1sxr n GLY 50 Ca -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 1sxr n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sxr h LEU 51 N 0.00 1.08 -0.50 0.99 6.46 -1.97 -0.06 115.31 121.31 1sxr h LEU 51 Ca 0.00 -0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1sxr h LEU 51 Cb 0.00 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 39.60 1sxr h LEU 51 CO 0.00 0.79 0.19 -0.07 -0.62 0.00 0.00 178.44 178.73 1sxr h LEU 52 N 1.28 0.21 0.15 2.25 3.38 -1.99 -0.53 115.31 120.06 1sxr h LEU 52 Ca 0.34 0.06 -0.25 0.00 0.09 0.00 0.00 57.88 58.12 1sxr h LEU 52 Cb -0.14 0.03 0.03 0.00 0.09 0.00 0.00 40.66 40.67 1sxr h LEU 52 CO -0.07 0.15 -1.07 0.11 0.09 0.00 0.00 178.44 177.64 1sxr h LYS 53 N 0.38 0.46 0.00 1.13 1.79 -1.68 -3.34 116.57 115.31 1sxr h LYS 53 Ca 0.24 -0.70 -0.07 0.00 -2.18 0.00 0.00 60.65 57.95 1sxr h LYS 53 Cb 0.24 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1sxr h LYS 53 CO -0.23 1.32 -0.32 0.00 -1.08 0.00 0.00 179.45 179.14 1sxr h ALA 55 N 1.68 0.59 -0.46 0.00 0.00 -1.22 0.06 119.26 119.92 1sxr h ALA 55 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1sxr h ALA 55 Cb 0.60 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1sxr h ALA 55 CO 0.04 -0.04 -0.11 1.49 0.00 0.00 0.00 179.25 180.63 1sxr h GLU 56 N 0.55 0.83 -0.64 0.00 4.81 -1.77 0.61 114.58 118.96 1sxr h GLU 56 Ca 0.19 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1sxr h GLU 56 Cb 0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1sxr h GLU 56 CO -0.09 0.90 0.39 0.82 -0.73 0.00 0.00 179.01 180.29 1sxr h ILE 57 N 0.74 1.19 -0.26 2.32 2.04 -1.50 -1.19 117.51 120.85 1sxr h ILE 57 Ca 0.12 -0.41 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 1sxr h ILE 57 Cb 0.60 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1sxr h ILE 57 CO 0.04 0.19 -0.50 -0.07 0.00 0.00 0.00 178.15 177.81 1sxr h LEU 58 N 0.87 0.79 -0.59 1.44 3.38 -0.52 0.31 115.31 120.98 1sxr h LEU 58 Ca 0.23 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1sxr h LEU 58 Cb -0.02 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1sxr h LEU 58 CO -0.04 1.15 0.33 1.56 0.09 0.00 0.00 178.44 181.53 1sxr h GLN 59 N 0.56 0.62 0.01 1.13 4.20 -0.53 0.45 115.11 121.55 1sxr h GLN 59 Ca 0.02 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.50 1sxr h GLN 59 Cb 1.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1sxr h GLN 59 CO 0.10 0.41 -0.88 -0.91 -0.67 0.00 0.00 178.83 176.88 1sxr h ASN 60 N 0.64 0.15 -0.32 1.46 2.35 -1.07 -1.49 115.58 117.29 1sxr h ASN 60 Ca 0.26 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1sxr h ASN 60 Cb 0.12 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1sxr h ASN 60 CO -0.15 0.96 0.16 -0.03 -1.65 0.00 0.00 177.43 176.72 1sxr h MET 61 N 0.06 0.46 -0.64 0.81 4.05 -0.70 0.25 114.93 119.22 1sxr h MET 61 Ca -0.03 -0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.40 1sxr h MET 61 Cb 1.53 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 32.18 1sxr h MET 61 CO 0.13 0.42 0.31 0.37 0.23 0.00 0.00 176.91 178.36 1sxr h GLN 62 N 0.39 0.53 -0.53 0.39 4.15 -0.84 0.06 115.11 119.26 1sxr h GLN 62 Ca 0.11 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1sxr h GLN 62 Cb 0.11 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1sxr h GLN 62 CO -0.01 0.35 0.34 0.00 -1.93 0.00 0.00 178.83 177.57 1sxr h ALA 63 N 1.39 0.67 -0.19 3.38 0.00 -0.97 0.19 119.26 123.72 1sxr h ALA 63 Ca 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1sxr h ALA 63 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1sxr h ALA 63 CO -0.25 0.08 0.10 -0.92 0.00 0.00 0.00 179.25 178.26 1sxr h TYR 64 N 0.68 0.27 -0.43 0.00 3.20 -0.60 -0.14 116.97 119.95 1sxr h TYR 64 Ca 0.20 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1sxr h TYR 64 Cb -0.04 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1sxr h TYR 64 CO -0.05 0.28 0.14 0.45 -1.64 0.00 0.00 178.16 177.34 1sxr h HIS 65 N 0.19 0.69 -0.21 -3.82 3.86 -0.62 -0.76 115.15 114.47 1sxr h HIS 65 Ca 0.07 -0.07 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 1sxr h HIS 65 Cb 0.10 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1sxr h HIS 65 CO -0.03 0.62 -0.45 1.96 0.86 0.00 0.00 177.93 180.90 1sxr h GLN 66 N 0.55 0.68 0.00 2.45 4.20 -0.64 -0.88 115.11 121.47 1sxr h GLN 66 Ca 0.14 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1sxr h GLN 66 Cb 0.26 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1sxr h GLN 66 CO -0.00 1.07 -1.41 0.09 -0.67 0.00 0.00 178.83 177.90 1sxr n ASN 67 N -4.18 0.77 -0.04 1.46 3.02 -0.07 -3.52 115.26 112.70 1sxr n ASN 67 Ca -0.06 -0.42 -0.05 0.00 -0.03 0.00 0.00 54.58 54.02 1sxr n ASN 67 Cb 0.57 1.47 -0.04 0.00 -0.61 0.00 0.00 39.78 41.17 1sxr n ASN 67 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sxr n GLU 68 N -1.83 0.64 0.00 3.52 -0.58 -0.37 -4.69 120.64 117.33 1sxr n GLU 68 Ca -0.00 0.04 0.12 0.00 -0.42 0.00 0.00 57.16 56.90 1sxr n GLU 68 Cb 0.40 -1.16 0.20 0.00 -0.57 0.00 0.00 31.44 30.31 1sxr n GLU 68 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1sxr n LEU 69 N -2.66 1.25 -1.64 -4.62 4.77 -0.71 -4.96 117.00 108.43 1sxr n LEU 69 Ca -0.14 -0.39 -0.15 0.00 -0.03 0.00 0.00 56.01 55.30 1sxr n LEU 69 Cb 0.66 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1sxr n LEU 69 CO 0.09 0.24 -0.18 0.47 -1.33 0.00 0.00 177.39 176.68 1sxr n ASP 70 N -0.66 -4.44 -4.92 -1.43 8.00 -0.91 -4.98 116.55 107.21 1sxr n ASP 70 Ca 0.10 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.34 1sxr n ASP 70 Cb 0.38 -3.58 0.02 0.00 -0.02 0.00 0.00 41.12 37.92 1sxr n ASP 70 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1sxr s PHE 71 N -2.72 3.30 -0.30 1.24 0.08 -0.38 -5.00 117.98 114.21 1sxr s PHE 71 Ca 0.00 0.59 0.21 0.00 0.12 0.00 0.00 56.93 57.86 1sxr s PHE 71 Cb 0.00 -2.58 0.35 0.00 -0.57 0.00 0.00 43.02 40.21 1sxr s PHE 71 CO 0.00 -0.64 1.59 -0.91 -0.10 0.00 0.00 175.22 175.16 1sxr h ASN 72 N 0.00 0.00 -5.10 1.36 2.35 -1.90 -3.36 115.58 108.93 1sxr h ASN 72 Ca -0.46 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.34 1sxr h ASN 72 Cb 1.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 1sxr h ASN 72 CO 0.60 0.16 0.34 -0.62 -1.65 0.00 0.00 177.43 176.26 1sxr s ASP 73 N -6.25 -0.07 0.22 5.81 -1.08 -1.26 -0.66 116.67 113.39 1sxr s ASP 73 Ca 0.05 -0.88 -0.30 0.00 -0.52 0.00 0.00 52.55 50.90 1sxr s ASP 73 Cb 0.06 0.73 -0.15 0.00 -1.46 0.00 0.00 42.92 42.10 1sxr s ASP 73 CO 0.68 -1.43 1.00 -0.38 0.52 0.00 0.00 175.17 175.57 1sxr n ILE 74 N -0.54 1.52 -0.03 4.11 5.41 -1.26 -4.58 119.36 123.99 1sxr n ILE 74 Ca -0.06 -0.38 -0.05 0.00 1.00 0.00 0.00 62.75 63.26 1sxr n ILE 74 Cb 0.60 -0.78 0.16 0.00 -0.71 0.00 0.00 39.64 38.91 1sxr n ILE 74 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1sxr h SER 75 N 2.42 0.61 -3.95 4.38 4.64 -1.93 -3.33 113.55 116.39 1sxr h SER 75 Ca -0.40 -0.20 -0.46 0.00 -0.47 0.00 0.00 61.79 60.26 1sxr h SER 75 Cb 1.36 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1sxr h SER 75 CO 0.64 0.82 0.25 -0.31 -0.87 0.00 0.00 176.83 177.36 1sxr s TYR 76 N -4.59 3.36 0.15 4.77 2.02 -1.26 -1.02 117.35 120.78 1sxr s TYR 76 Ca -0.08 1.43 -0.09 0.00 -0.37 0.00 0.00 57.07 57.96 1sxr s TYR 76 Cb 0.14 -2.72 -0.01 0.00 -0.40 0.00 0.00 41.96 38.97 1sxr s TYR 76 CO 0.81 -0.08 1.48 -0.91 -1.57 0.00 0.00 175.55 175.28 1sxr h ASN 77 N 1.85 0.94 -5.13 2.29 4.21 -1.05 0.03 115.58 118.72 1sxr h ASN 77 Ca -0.48 -0.44 -0.13 0.00 1.21 0.00 0.00 56.30 56.45 1sxr h ASN 77 Cb 1.18 -0.27 -0.17 0.00 -1.12 0.00 0.00 38.32 37.94 1sxr h ASN 77 CO 0.63 1.23 -0.61 -0.36 -1.29 0.00 0.00 177.43 177.02 1sxr s PHE 78 N -4.32 0.34 0.04 1.19 0.08 -0.92 -0.89 117.98 113.50 1sxr s PHE 78 Ca -0.10 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.23 1sxr s PHE 78 Cb 0.11 -0.25 -0.02 0.00 -0.57 0.00 0.00 43.02 42.29 1sxr s PHE 78 CO 0.88 -0.35 -0.11 -0.51 -0.10 0.00 0.00 175.22 175.02 1sxr s LEU 79 N -2.37 2.18 -0.11 -0.37 1.02 -0.50 -1.08 118.68 117.45 1sxr s LEU 79 Ca -0.01 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.69 1sxr s LEU 79 Cb 0.01 -0.44 0.02 0.00 0.02 0.00 0.00 46.19 45.80 1sxr s LEU 79 CO -0.07 -0.04 -0.12 -0.63 0.02 0.00 0.00 176.35 175.52 1sxr s ILE 80 N -0.94 1.29 0.75 -0.59 1.01 0.07 -0.12 121.20 122.67 1sxr s ILE 80 Ca -0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1sxr s ILE 80 Cb -0.08 -1.22 0.14 0.00 0.01 0.00 0.00 42.46 41.31 1sxr s ILE 80 CO 0.01 0.40 1.03 -0.83 0.00 0.00 0.00 174.94 175.55 1sxr s GLY 81 N 1.23 1.76 0.40 6.18 0.00 -0.65 -0.89 107.32 115.36 1sxr s GLY 81 Ca -0.03 -1.76 0.10 0.00 0.00 0.00 0.00 44.72 43.04 1sxr s GLY 81 CO -0.04 -1.15 1.94 -0.57 0.00 0.00 0.00 173.10 173.28 1sxr h ASN 82 N -0.64 0.20 0.03 1.64 -1.24 -1.81 -0.96 115.58 112.80 1sxr h ASN 82 Ca -0.36 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1sxr h ASN 82 Cb 1.26 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1sxr h ASN 82 CO 0.38 0.34 -0.01 0.47 -1.29 0.00 0.00 177.43 177.33 1sxr n ASP 83 N -4.30 0.46 0.00 1.15 9.92 -1.26 -4.27 116.55 118.24 1sxr n ASP 83 Ca -0.01 -1.09 0.00 0.00 -0.53 0.00 0.00 54.79 53.16 1sxr n ASP 83 Cb 0.25 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1sxr n ASP 83 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sxr n GLY 84 N 1.08 0.69 3.74 0.44 0.00 -0.37 -4.78 105.19 105.99 1sxr n GLY 84 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1sxr n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sxr s ILE 85 N -2.06 3.59 -0.27 -0.61 1.01 -1.26 -4.74 121.20 116.88 1sxr s ILE 85 Ca 0.00 1.39 -0.12 0.00 0.00 0.00 0.00 60.65 61.92 1sxr s ILE 85 Cb 0.00 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1sxr s ILE 85 CO 0.00 0.25 0.23 -0.69 0.00 0.00 0.00 174.94 174.73 1sxr s VAL 86 N -0.30 5.29 -0.17 2.92 1.01 -1.26 -1.63 120.40 126.26 1sxr s VAL 86 Ca 0.51 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.69 1sxr s VAL 86 Cb -0.32 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1sxr s VAL 86 CO 0.37 0.25 0.07 -0.31 0.00 0.00 0.00 175.10 175.48 1sxr s TYR 87 N 1.67 3.28 0.03 5.22 2.02 0.82 -0.75 117.35 129.65 1sxr s TYR 87 Ca 0.09 0.13 -0.30 0.00 -0.37 0.00 0.00 57.07 56.62 1sxr s TYR 87 Cb -0.15 -2.05 -0.07 0.00 -0.40 0.00 0.00 41.96 39.29 1sxr s TYR 87 CO 0.09 0.24 1.57 -2.00 -1.57 0.00 0.00 175.55 173.88 1sxr s GLU 88 N 0.14 4.22 0.00 -0.62 2.12 0.01 -1.41 118.70 123.16 1sxr s GLU 88 Ca 0.05 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.57 1sxr s GLU 88 Cb -0.12 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1sxr s GLU 88 CO 0.00 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 1sxr n GLY 89 N 3.89 0.34 0.25 -1.50 0.00 -0.07 -4.47 105.19 103.64 1sxr n GLY 89 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1sxr n GLY 89 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sxr h THR 90 N 0.00 1.09 0.00 2.61 2.02 -0.85 -3.47 112.91 114.31 1sxr h THR 90 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1sxr h THR 90 Cb 0.00 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1sxr h THR 90 CO 0.00 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.62 1sxr n GLY 91 N -1.22 -0.50 3.77 2.16 0.00 -0.28 -4.72 105.19 104.39 1sxr n GLY 91 Ca -0.02 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1sxr n GLY 91 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sxr s TRP 92 N -1.90 2.83 -0.08 1.61 0.23 -1.26 -3.51 118.94 116.86 1sxr s TRP 92 Ca 0.00 1.22 0.00 0.00 -2.03 0.00 0.00 56.10 55.29 1sxr s TRP 92 Cb 0.00 -3.87 0.00 0.00 0.03 0.00 0.00 33.47 29.63 1sxr s TRP 92 CO 0.00 -2.56 0.00 0.41 0.96 0.00 0.00 176.95 175.76 1sxr n GLY 93 N 0.93 0.45 3.28 0.98 0.00 -1.26 -5.01 105.19 104.56 1sxr n GLY 93 Ca 0.02 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1sxr n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxr s LEU 94 N -0.17 2.13 -0.05 0.99 1.43 -1.23 -0.69 118.68 121.08 1sxr s LEU 94 Ca 0.00 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 1sxr s LEU 94 Cb 0.00 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 1sxr s LEU 94 CO 0.00 0.22 1.16 -0.60 0.23 0.00 0.00 176.35 177.36 1sxr s ARG 95 N -1.00 4.38 0.00 1.70 3.52 0.56 -4.82 118.95 123.29 1sxr s ARG 95 Ca 0.09 1.63 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 1sxr s ARG 95 Cb -0.09 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1sxr s ARG 95 CO 0.01 -0.40 0.00 0.41 -0.81 0.00 0.00 175.30 174.51 1sxr n GLY 96 N 3.29 1.87 1.46 8.12 0.00 -1.26 -4.75 105.19 113.93 1sxr n GLY 96 Ca 0.10 -1.99 0.03 0.00 0.00 0.00 0.00 46.02 44.16 1sxr n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxr n ALA 97 N -3.00 2.53 0.04 4.61 0.00 -0.19 -4.82 120.51 119.68 1sxr n ALA 97 Ca 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 53.44 51.24 1sxr n ALA 97 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 1sxr n ALA 97 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1sxr h HIS 98 N 0.90 0.00 -1.99 0.00 2.07 -1.93 -3.46 115.15 110.74 1sxr h HIS 98 Ca -0.27 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.02 1sxr h HIS 98 Cb 1.84 0.00 -0.31 0.00 2.57 0.00 0.00 27.41 31.50 1sxr h HIS 98 CO 0.14 0.79 -0.56 0.99 -3.07 0.00 0.00 177.93 176.22 1sxr s THR 99 N -2.78 -0.52 0.11 6.12 2.01 -1.26 -5.06 115.64 114.25 1sxr s THR 99 Ca -0.02 -0.25 -0.36 0.00 0.31 0.00 0.00 61.69 61.38 1sxr s THR 99 Cb 0.09 -0.89 -0.16 0.00 0.01 0.00 0.00 72.50 71.55 1sxr s THR 99 CO 0.81 -0.27 1.44 0.00 -0.69 0.00 0.00 174.62 175.91 1sxr n TYR 100 N 5.34 1.82 0.00 4.92 9.36 -1.26 -0.62 117.16 136.71 1sxr n TYR 100 Ca -0.02 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.69 1sxr n TYR 100 Cb 0.49 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.78 1sxr n TYR 100 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1sxr n GLY 101 N 2.90 2.33 0.16 2.98 0.00 -1.26 -4.80 105.19 107.49 1sxr n GLY 101 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1sxr n GLY 101 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sxr n TYR 102 N -2.00 0.00 -0.08 1.61 4.01 0.21 -4.72 117.16 116.19 1sxr n TYR 102 Ca 0.00 -0.50 -0.15 0.00 -0.16 0.00 0.00 57.90 57.10 1sxr n TYR 102 Cb 0.00 -0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 38.83 1sxr n TYR 102 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1sxr h ASN 103 N 0.00 0.00 -0.45 7.72 2.35 -1.76 -1.59 115.58 121.85 1sxr h ASN 103 Ca 0.00 -0.82 -0.06 0.00 -0.55 0.00 0.00 56.30 54.87 1sxr h ASN 103 Cb 1.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 1sxr h ASN 103 CO 0.00 1.07 0.07 0.00 -1.65 0.00 0.00 177.43 176.91 1sxr h ALA 104 N -0.18 1.14 -0.17 -0.83 0.00 -1.87 -3.29 119.26 114.06 1sxr h ALA 104 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sxr h ALA 104 Cb 1.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1sxr h ALA 104 CO -0.04 0.56 0.00 0.44 0.00 0.00 0.00 179.25 180.21 1sxr n ILE 105 N -4.24 0.28 -4.28 0.00 -5.35 -1.26 -4.62 119.36 99.90 1sxr n ILE 105 Ca 0.03 -0.64 -0.15 0.00 -0.27 0.00 0.00 62.75 61.72 1sxr n ILE 105 Cb 0.27 1.12 -0.10 0.00 -1.74 0.00 0.00 39.64 39.19 1sxr n ILE 105 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1sxr s GLY 106 N -1.33 1.20 -0.26 3.28 0.00 -0.60 -3.41 107.32 106.20 1sxr s GLY 106 Ca 0.25 -1.56 -0.08 0.00 0.00 0.00 0.00 44.72 43.33 1sxr s GLY 106 CO 0.23 -1.63 0.09 -1.59 0.00 0.00 0.00 173.10 170.20 1sxr s THR 107 N -3.28 4.44 -0.20 0.90 2.01 -0.06 -4.70 115.64 114.74 1sxr s THR 107 Ca 0.19 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 1sxr s THR 107 Cb 0.02 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1sxr s THR 107 CO 0.03 0.29 0.38 -0.83 -0.69 0.00 0.00 174.62 173.80 1sxr s GLY 108 N 1.63 2.09 -0.15 4.40 0.00 -1.26 -1.10 107.32 112.93 1sxr s GLY 108 Ca 0.06 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1sxr s GLY 108 CO 0.05 0.77 -0.19 -0.42 0.00 0.00 0.00 173.10 173.31 1sxr s ILE 109 N 1.25 1.86 -0.16 0.90 1.01 -0.08 -0.44 121.20 125.55 1sxr s ILE 109 Ca 0.18 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1sxr s ILE 109 Cb -0.15 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1sxr s ILE 109 CO 0.08 0.51 -0.04 0.00 0.00 0.00 0.00 174.94 175.49 1sxr s ALA 110 N 1.11 2.99 -0.06 9.38 0.00 -0.25 -1.05 121.76 133.89 1sxr s ALA 110 Ca -0.01 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1sxr s ALA 110 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1sxr s ALA 110 CO -0.07 0.21 1.10 -0.06 0.00 0.00 0.00 175.76 176.94 1sxr s PHE 111 N 0.37 3.40 -0.15 0.00 0.08 -0.24 -0.75 117.98 120.69 1sxr s PHE 111 Ca -0.04 1.44 -0.29 0.00 0.12 0.00 0.00 56.93 58.15 1sxr s PHE 111 Cb -0.14 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 1sxr s PHE 111 CO 0.03 -0.71 1.42 0.42 -0.10 0.00 0.00 175.22 176.28 1sxr s ILE 112 N 1.85 4.00 -2.84 0.64 1.01 -0.06 -1.79 121.20 124.00 1sxr s ILE 112 Ca 0.53 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.37 1sxr s ILE 112 Cb -0.22 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1sxr s ILE 112 CO 0.22 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1sxr n GLY 113 N 3.96 0.75 3.03 6.18 0.00 -1.26 -4.70 105.19 113.14 1sxr n GLY 113 Ca 0.16 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 1sxr n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sxr s ASN 114 N -2.84 4.21 -0.28 1.61 3.84 -1.25 -0.68 114.94 119.54 1sxr s ASN 114 Ca 0.00 -1.30 0.08 0.00 0.21 0.00 0.00 52.86 51.85 1sxr s ASN 114 Cb 0.00 -1.42 0.46 0.00 -0.55 0.00 0.00 41.25 39.74 1sxr s ASN 114 CO 0.00 -0.20 1.35 0.49 -2.79 0.00 0.00 177.10 175.95 1sxr n PHE 115 N 4.52 1.21 -0.25 0.43 3.72 -1.26 -4.57 117.46 121.25 1sxr n PHE 115 Ca -0.14 -1.79 -0.06 0.00 -0.05 0.00 0.00 57.45 55.41 1sxr n PHE 115 Cb 0.43 -0.43 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 1sxr n PHE 115 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 1sxr h VAL 116 N 1.26 1.23 -0.00 -4.37 -1.51 -1.83 -2.97 116.25 108.06 1sxr h VAL 116 Ca 0.20 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1sxr h VAL 116 Cb 1.37 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1sxr h VAL 116 CO 0.41 0.27 -0.00 0.47 -1.23 0.00 0.00 177.57 177.49 1sxr n ASP 117 N -4.44 1.18 -3.95 4.19 8.00 -1.26 -1.98 116.55 118.29 1sxr n ASP 117 Ca 0.06 -1.09 -0.09 0.00 0.71 0.00 0.00 54.79 54.38 1sxr n ASP 117 Cb 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 1sxr n ASP 117 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1sxr s LYS 118 N -0.18 1.50 0.21 -1.24 -2.85 -1.26 -4.99 119.74 110.93 1sxr s LYS 118 Ca 0.02 -1.17 0.02 0.00 -1.00 0.00 0.00 55.97 53.84 1sxr s LYS 118 Cb 0.02 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 1sxr s LYS 118 CO 0.03 -0.62 0.37 -0.51 0.10 0.00 0.00 175.35 174.72 1sxr s LEU 119 N -2.99 4.26 1.02 2.77 1.43 -1.26 -4.40 118.68 119.52 1sxr s LEU 119 Ca 0.19 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1sxr s LEU 119 Cb -0.01 -3.03 0.19 0.00 0.03 0.00 0.00 46.19 43.37 1sxr s LEU 119 CO 0.06 -0.05 1.00 -2.65 0.23 0.00 0.00 176.35 174.94 1sxr n PRO 120 N -0.96 -1.20 -0.75 1.29 -0.02 -1.26 -4.98 135.00 127.13 1sxr n PRO 120 Ca -0.06 -0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 60.80 1sxr n PRO 120 Cb 0.55 -2.24 0.16 0.00 -0.02 0.00 0.00 33.50 31.95 1sxr n PRO 120 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sxr n SER 121 N -4.18 0.31 -0.31 2.55 3.41 -1.26 -4.74 113.62 109.40 1sxr n SER 121 Ca 0.08 0.44 0.04 0.00 -0.26 0.00 0.00 58.87 59.17 1sxr n SER 121 Cb 0.53 -1.47 0.23 0.00 -0.26 0.00 0.00 64.21 63.25 1sxr n SER 121 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sxr h ASP 122 N -1.71 0.92 -0.75 4.04 3.32 -1.93 -1.39 116.42 118.91 1sxr h ASP 122 Ca -0.44 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1sxr h ASP 122 Cb 1.28 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1sxr h ASP 122 CO 0.41 0.59 0.36 0.00 -1.72 0.00 0.00 179.24 178.88 1sxr h ALA 123 N 1.50 0.97 -0.32 3.45 0.00 -1.91 -0.57 119.26 122.38 1sxr h ALA 123 Ca 0.39 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1sxr h ALA 123 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1sxr h ALA 123 CO -0.15 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 1sxr h ALA 124 N 1.18 0.43 -0.61 0.00 0.00 -1.52 -0.78 119.26 117.96 1sxr h ALA 124 Ca 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1sxr h ALA 124 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1sxr h ALA 124 CO -0.03 0.19 0.31 -0.07 0.00 0.00 0.00 179.25 179.66 1sxr h LEU 125 N 0.37 0.78 -0.84 0.00 3.38 -1.07 -1.71 115.31 116.23 1sxr h LEU 125 Ca 0.09 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1sxr h LEU 125 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1sxr h LEU 125 CO 0.02 0.67 -0.23 -0.61 0.09 0.00 0.00 178.44 178.38 1sxr h GLN 126 N 0.83 0.61 -0.87 1.13 5.75 -1.00 -2.26 115.11 119.30 1sxr h GLN 126 Ca 0.21 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1sxr h GLN 126 Cb 0.08 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1sxr h GLN 126 CO -0.03 0.79 0.46 0.00 -2.65 0.00 0.00 178.83 177.40 1sxr h ALA 127 N 1.21 1.12 -0.30 3.38 0.00 -0.72 0.82 119.26 124.77 1sxr h ALA 127 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1sxr h ALA 127 Cb 0.69 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1sxr h ALA 127 CO 0.05 0.65 0.10 0.00 0.00 0.00 0.00 179.25 180.05 1sxr h ALA 128 N 1.25 0.39 -0.61 0.00 0.00 -1.04 0.12 119.26 119.36 1sxr h ALA 128 Ca 0.30 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1sxr h ALA 128 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1sxr h ALA 128 CO -0.05 0.01 0.37 0.87 0.00 0.00 0.00 179.25 180.45 1sxr h LYS 129 N 0.32 0.71 -0.70 0.00 1.57 -1.07 -1.15 116.57 116.26 1sxr h LYS 129 Ca 0.10 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1sxr h LYS 129 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1sxr h LYS 129 CO -0.00 0.47 0.21 -0.44 -0.57 0.00 0.00 179.45 179.11 1sxr h ASP 130 N 0.73 1.01 -0.62 0.86 3.32 -0.65 -1.99 116.42 119.08 1sxr h ASP 130 Ca 0.25 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1sxr h ASP 130 Cb 0.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1sxr h ASP 130 CO -0.10 0.95 0.28 0.25 -1.72 0.00 0.00 179.24 178.89 1sxr h LEU 131 N 1.04 0.83 -0.47 1.55 5.85 -0.21 -1.21 115.31 122.69 1sxr h LEU 131 Ca 0.23 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1sxr h LEU 131 Cb 0.30 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1sxr h LEU 131 CO -0.01 0.75 0.12 -0.07 -0.34 0.00 0.00 178.44 178.89 1sxr h LEU 132 N 0.86 0.71 -0.59 2.25 3.38 -1.08 0.01 115.31 120.84 1sxr h LEU 132 Ca 0.21 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1sxr h LEU 132 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1sxr h LEU 132 CO -0.02 0.75 -0.36 0.00 0.09 0.00 0.00 178.44 178.90 1sxr h ALA 133 N 0.98 0.77 -0.61 1.53 0.00 -1.20 -1.90 119.26 118.82 1sxr h ALA 133 Ca 0.15 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1sxr h ALA 133 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1sxr h ALA 133 CO 0.00 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.10 1sxr h GLY 135 N 0.88 1.33 0.92 0.00 0.00 -0.56 0.08 103.07 105.72 1sxr h GLY 135 Ca 0.20 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1sxr h GLY 135 CO -0.01 0.39 0.00 -2.08 0.00 0.00 0.00 176.54 174.84 1sxr h VAL 136 N 1.15 1.26 -0.61 4.60 2.07 -1.11 0.84 116.25 124.45 1sxr h VAL 136 Ca 0.37 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1sxr h VAL 136 Cb 0.03 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1sxr h VAL 136 CO -0.12 0.32 0.25 -0.61 0.02 0.00 0.00 177.57 177.44 1sxr h GLN 137 N 0.43 0.88 -0.01 1.57 4.15 -0.63 -2.29 115.11 119.22 1sxr h GLN 137 Ca 0.10 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1sxr h GLN 137 Cb 0.45 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1sxr h GLN 137 CO 0.02 0.72 -0.01 1.04 -1.93 0.00 0.00 178.83 178.66 1sxr n GLN 138 N -4.32 1.34 -0.96 1.69 6.02 -0.06 -4.91 117.38 116.19 1sxr n GLN 138 Ca 0.05 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 1sxr n GLN 138 Cb 0.16 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1sxr n GLN 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxr n GLY 139 N 1.12 0.61 0.17 1.08 0.00 -0.86 -4.92 105.19 102.39 1sxr n GLY 139 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1sxr n GLY 139 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sxr h GLU 140 N 1.49 0.45 -6.66 1.61 4.39 -1.10 -3.38 114.58 111.39 1sxr h GLU 140 Ca 0.00 -0.41 -0.69 0.00 0.34 0.00 0.00 59.36 58.60 1sxr h GLU 140 Cb 0.00 0.10 -0.23 0.00 -0.10 0.00 0.00 28.75 28.52 1sxr h GLU 140 CO 0.00 1.06 -0.83 -0.51 -1.16 0.00 0.00 179.01 177.57 1sxr s LEU 141 N -7.92 2.49 0.66 1.33 1.43 -0.70 -0.76 118.68 115.21 1sxr s LEU 141 Ca -0.06 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 1sxr s LEU 141 Cb 0.10 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1sxr s LEU 141 CO 0.86 0.24 1.14 -0.94 0.23 0.00 0.00 176.35 177.88 1sxr s SER 142 N -1.53 4.94 0.53 2.29 1.04 0.19 -4.29 113.70 116.87 1sxr s SER 142 Ca 0.14 2.11 0.25 0.00 0.48 0.00 0.00 55.95 58.94 1sxr s SER 142 Cb -0.10 -2.56 1.49 0.00 0.10 0.00 0.00 66.02 64.94 1sxr s SER 142 CO 0.05 -1.75 2.12 -0.33 0.98 0.00 0.00 173.24 174.32 1sxr h GLU 143 N 0.09 0.00 -0.72 4.02 5.08 -1.91 -2.66 114.58 118.47 1sxr h GLU 143 Ca -0.47 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.41 1sxr h GLU 143 Cb 1.26 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.23 1sxr h GLU 143 CO 0.53 0.09 0.01 -0.40 -1.00 0.00 0.00 179.01 178.24 1sxr n ASP 144 N -3.86 4.91 -4.62 1.42 5.75 -1.26 -5.06 116.55 113.84 1sxr n ASP 144 Ca -0.02 -3.77 -0.36 0.00 -0.01 0.00 0.00 54.79 50.62 1sxr n ASP 144 Cb 0.18 -0.66 0.07 0.00 -1.03 0.00 0.00 41.12 39.69 1sxr n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sxr n TYR 145 N -0.93 0.76 -3.61 2.11 0.18 -1.00 -4.99 117.16 109.67 1sxr n TYR 145 Ca 0.48 0.41 -0.37 0.00 1.88 0.00 0.00 57.90 60.30 1sxr n TYR 145 Cb 0.95 -2.11 -0.07 0.00 -0.38 0.00 0.00 39.34 37.73 1sxr n TYR 145 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sxr s ALA 146 N -1.68 3.67 -0.22 -3.48 0.00 -0.00 -4.78 121.76 115.28 1sxr s ALA 146 Ca 0.75 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 1sxr s ALA 146 Cb -0.37 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1sxr s ALA 146 CO 0.48 0.26 0.10 -1.17 0.00 0.00 0.00 175.76 175.44 1sxr s LEU 147 N -0.08 3.88 0.08 0.00 2.96 -0.01 -0.70 118.68 124.81 1sxr s LEU 147 Ca 0.17 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1sxr s LEU 147 Cb -0.13 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1sxr s LEU 147 CO 0.05 0.10 -0.05 0.27 -1.32 0.00 0.00 176.35 175.39 1sxr s ILE 148 N 0.84 0.51 0.22 6.68 -4.36 0.13 -1.31 121.20 123.91 1sxr s ILE 148 Ca 0.05 -1.79 -0.18 0.00 -0.26 0.00 0.00 60.65 58.47 1sxr s ILE 148 Cb -0.13 -1.49 -0.08 0.00 1.25 0.00 0.00 42.46 42.00 1sxr s ILE 148 CO 0.02 -0.86 0.70 0.00 0.24 0.00 0.00 174.94 175.05 1sxr s ALA 149 N -3.45 3.43 0.29 2.27 0.00 -1.26 -0.36 121.76 122.67 1sxr s ALA 149 Ca 0.08 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1sxr s ALA 149 Cb 0.04 -2.77 0.69 0.00 0.00 0.00 0.00 23.12 21.08 1sxr s ALA 149 CO -0.06 0.35 1.73 0.78 0.00 0.00 0.00 175.76 178.55 1sxr h GLY 150 N 3.32 1.56 2.00 0.00 0.00 -1.38 -0.64 103.07 107.93 1sxr h GLY 150 Ca -0.48 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1sxr h GLY 150 CO 0.65 -0.18 0.00 1.48 0.00 0.00 0.00 176.54 178.49 1sxr h SER 151 N 0.51 0.00 1.52 0.19 4.64 -1.33 -1.75 113.55 117.32 1sxr h SER 151 Ca 0.54 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1sxr h SER 151 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1sxr h SER 151 CO -0.46 0.00 -0.02 1.56 -0.87 0.00 0.00 176.83 177.04 1sxr h GLN 152 N 0.00 0.00 0.00 4.77 4.20 -1.41 -3.38 115.11 119.29 1sxr h GLN 152 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sxr h GLN 152 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1sxr h GLN 152 CO 0.00 0.02 -0.59 1.33 -0.67 0.00 0.00 178.83 178.92 1sxr n VAL 153 N -3.11 0.00 -4.36 -0.54 0.24 -0.74 -4.87 118.33 104.95 1sxr n VAL 153 Ca 0.02 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.34 62.11 1sxr n VAL 153 Cb 0.43 0.39 -0.10 0.00 -1.47 0.00 0.00 33.84 33.09 1sxr n VAL 153 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1sxr s ILE 154 N -1.25 0.76 -0.95 1.34 -4.36 -0.75 -4.87 121.20 111.11 1sxr s ILE 154 Ca 0.00 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.16 1sxr s ILE 154 Cb 0.00 -2.69 0.05 0.00 1.25 0.00 0.00 42.46 41.08 1sxr s ILE 154 CO 0.00 0.00 1.38 -0.55 0.24 0.00 0.00 174.94 176.01 1sxr s SER 155 N -3.37 6.44 0.09 4.36 0.15 -1.26 -4.45 113.70 115.66 1sxr s SER 155 Ca 0.37 -1.31 -0.22 0.00 0.70 0.00 0.00 55.95 55.49 1sxr s SER 155 Cb 0.08 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1sxr s SER 155 CO 0.14 -1.53 0.54 0.28 1.20 0.00 0.00 173.24 173.88 1sxr s THR 156 N 4.90 0.02 -0.59 6.45 -1.32 -1.26 -5.03 115.64 118.82 1sxr s THR 156 Ca 0.42 -0.19 0.24 0.00 -1.21 0.00 0.00 61.69 60.95 1sxr s THR 156 Cb -0.02 -1.02 -0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1sxr s THR 156 CO -0.05 -0.10 1.21 0.00 -2.21 0.00 0.00 174.62 173.47 1sxr n GLN 157 N 0.06 0.32 -1.74 7.08 6.02 -1.26 -4.35 117.38 123.51 1sxr n GLN 157 Ca -0.17 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 1sxr n GLN 157 Cb 0.62 -1.67 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 1sxr n GLN 157 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1sxr n SER 158 N -2.13 3.47 -1.44 1.08 2.88 -1.26 -0.46 113.62 115.76 1sxr n SER 158 Ca 0.03 1.19 0.02 0.00 -1.33 0.00 0.00 58.87 58.78 1sxr n SER 158 Cb 0.45 -1.56 0.25 0.00 -0.75 0.00 0.00 64.21 62.59 1sxr n SER 158 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1sxr n PRO 159 N 1.17 3.33 0.00 -1.46 -0.04 -1.26 -1.16 135.00 135.58 1sxr n PRO 159 Ca 0.05 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1sxr n PRO 159 Cb 0.37 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1sxr n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sxr n GLY 160 N 0.30 1.34 0.27 0.55 0.00 0.39 -4.31 105.19 103.73 1sxr n GLY 160 Ca 0.20 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.77 1sxr n GLY 160 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sxr h LEU 161 N 0.00 0.43 -0.70 0.99 5.85 -1.68 0.10 115.31 120.30 1sxr h LEU 161 Ca 0.00 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1sxr h LEU 161 Cb 0.00 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1sxr h LEU 161 CO 0.00 0.24 0.26 0.74 -0.34 0.00 0.00 178.44 179.33 1sxr h THR 162 N 0.58 1.25 -0.13 1.05 2.02 -1.31 -0.45 112.91 115.92 1sxr h THR 162 Ca 0.36 -0.82 -0.19 0.00 0.77 0.00 0.00 66.41 66.52 1sxr h THR 162 Cb 0.41 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1sxr h THR 162 CO -0.29 0.33 -0.70 0.25 0.37 0.00 0.00 175.52 175.47 1sxr h LEU 163 N 1.02 0.67 -0.61 2.58 5.85 -1.24 -2.79 115.31 120.79 1sxr h LEU 163 Ca 0.23 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1sxr h LEU 163 Cb 0.25 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1sxr h LEU 163 CO -0.01 1.17 0.38 0.22 -0.34 0.00 0.00 178.44 179.86 1sxr h TYR 164 N 0.40 0.71 -0.65 1.25 3.20 -0.71 -1.06 116.97 120.10 1sxr h TYR 164 Ca -0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1sxr h TYR 164 Cb 1.29 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1sxr h TYR 164 CO 0.06 0.42 0.43 -0.91 -1.64 0.00 0.00 178.16 176.52 1sxr h ASN 165 N 0.75 0.75 0.21 -2.11 2.35 -1.00 -2.17 115.58 114.35 1sxr h ASN 165 Ca 0.24 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1sxr h ASN 165 Cb -0.00 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1sxr h ASN 165 CO -0.09 0.54 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.05 1sxr h GLU 166 N 0.88 -0.27 0.00 0.81 4.57 -1.07 -3.25 114.58 116.25 1sxr h GLU 166 Ca 0.24 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1sxr h GLU 166 Cb -0.10 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1sxr h GLU 166 CO -0.05 0.02 -0.08 -0.84 -1.18 0.00 0.00 179.01 176.88 1sxr h ILE 167 N -0.57 0.37 0.00 2.32 3.07 -0.97 -1.15 117.51 120.59 1sxr h ILE 167 Ca -0.03 -0.47 -0.00 0.00 1.55 0.00 0.00 64.86 65.91 1sxr h ILE 167 Cb 0.42 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 1sxr h ILE 167 CO 0.05 0.08 -0.00 1.56 -1.05 0.00 0.00 178.15 178.79 1sxr h GLN 168 N 0.00 0.00 -0.04 0.16 4.20 -1.43 -0.95 115.11 117.05 1sxr h GLN 168 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sxr h GLN 168 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1sxr h GLN 168 CO 0.01 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.56 1sxr n GLU 169 N -3.33 1.84 -2.96 1.46 -0.58 -0.43 -4.86 120.64 111.78 1sxr n GLU 169 Ca -0.03 -1.23 -0.31 0.00 -0.42 0.00 0.00 57.16 55.17 1sxr n GLU 169 Cb 0.08 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 1sxr n GLU 169 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1sxr s TRP 170 N -1.97 3.44 0.57 -0.32 0.52 -0.36 -5.03 118.94 115.79 1sxr s TRP 170 Ca 0.35 1.09 -0.21 0.00 0.02 0.00 0.00 56.10 57.35 1sxr s TRP 170 Cb 0.21 -2.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 1sxr s TRP 170 CO 0.32 -0.03 1.30 -2.14 0.02 0.00 0.00 176.95 176.42 1sxr s PRO 171 N -3.56 3.04 0.00 4.98 0.02 -1.26 -2.48 135.00 135.74 1sxr s PRO 171 Ca 0.52 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1sxr s PRO 171 Cb -0.10 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1sxr s PRO 171 CO 0.27 -1.22 0.00 0.72 -0.33 0.00 0.00 177.00 176.44 1sxr n HIS 172 N -1.27 0.00 -1.70 6.54 8.25 -1.26 -4.88 115.22 120.90 1sxr n HIS 172 Ca 0.12 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.14 1sxr n HIS 172 Cb 0.47 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 1sxr n HIS 172 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1sxr n TRP 173 N -2.00 2.50 -3.86 4.41 -0.00 -1.04 -0.83 117.44 116.63 1sxr n TRP 173 Ca 0.00 0.21 -0.36 0.00 -0.00 0.00 0.00 57.50 57.35 1sxr n TRP 173 Cb 0.00 -2.59 -0.14 0.00 -0.00 0.00 0.00 31.31 28.59 1sxr n TRP 173 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 1sxr s LEU 174 N 0.72 3.13 0.31 5.87 2.96 -0.43 -4.84 118.68 126.41 1sxr s LEU 174 Ca 0.74 -0.42 0.16 0.00 -0.22 0.00 0.00 54.13 54.39 1sxr s LEU 174 Cb -0.59 -1.79 0.31 0.00 0.50 0.00 0.00 46.19 44.62 1sxr s LEU 174 CO 0.39 -0.05 1.55 0.77 -1.32 0.00 0.00 176.35 177.69 1sxr h SER 175 N 8.15 0.00 -2.06 3.68 4.64 -1.93 -3.39 113.55 122.63 1sxr h SER 175 Ca -0.39 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.40 1sxr h SER 175 Cb 1.16 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.84 1sxr h SER 175 CO 0.60 0.47 -0.93 -0.46 -0.87 0.00 0.00 176.83 175.63 1sxr n ASN 176 N -3.34 2.64 -4.78 4.97 6.94 -1.26 -5.10 115.26 115.34 1sxr n ASN 176 Ca 0.01 -3.33 -0.34 0.00 -0.02 0.00 0.00 54.58 50.90 1sxr n ASN 176 Cb 0.65 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 37.50 1sxr n ASN 176 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1sxr s PRO 177 N -2.97 3.28 0.56 -0.53 0.04 -1.26 -5.01 135.00 129.10 1sxr s PRO 177 Ca 0.44 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 1sxr s PRO 177 Cb 0.33 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.80 1sxr s PRO 177 CO -0.11 -0.89 1.02 -1.01 0.04 0.00 0.00 177.00 176.06 1sxr s HIS 178 N -2.01 3.21 -0.05 0.56 3.76 -1.26 -4.95 115.29 114.55 1sxr s HIS 178 Ca 0.70 1.49 -0.08 0.00 -0.15 0.00 0.00 55.06 57.01 1sxr s HIS 178 Cb -0.21 -2.90 0.02 0.00 1.11 0.00 0.00 32.58 30.59 1sxr s HIS 178 CO 0.31 -0.76 0.21 -3.38 -0.85 0.00 0.00 174.74 170.26 1sxr s HIS 179 N -2.54 -0.15 0.19 1.40 -3.43 -1.26 -4.94 115.29 104.56 1sxr s HIS 179 Ca 0.61 0.33 0.05 0.00 -0.80 0.00 0.00 55.06 55.25 1sxr s HIS 179 Cb -0.13 0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.03 1sxr s HIS 179 CO 0.34 -0.20 0.21 -1.01 -2.00 0.00 0.00 174.74 172.08 1sxr s HIS 180 N -0.52 3.25 0.15 0.38 3.76 -1.26 -5.09 115.29 115.96 1sxr s HIS 180 Ca -0.06 -0.01 -0.30 0.00 -0.15 0.00 0.00 55.06 54.54 1sxr s HIS 180 Cb -0.04 -1.53 -0.07 0.00 1.11 0.00 0.00 32.58 32.05 1sxr s HIS 180 CO 0.01 0.51 1.19 -1.01 -0.85 0.00 0.00 174.74 174.60 1sxr s HIS 181 N -1.85 3.44 0.59 1.40 3.76 -1.26 -4.91 115.29 116.46 1sxr s HIS 181 Ca 0.32 1.39 0.29 0.00 -0.15 0.00 0.00 55.06 56.91 1sxr s HIS 181 Cb -0.10 -3.42 1.68 0.00 1.11 0.00 0.00 32.58 31.85 1sxr s HIS 181 CO 0.25 -1.20 2.12 0.45 -0.85 0.00 0.00 174.74 175.51 1sxr h HIS 182 N 5.71 0.00 0.00 1.40 3.86 -2.02 -3.53 115.15 120.57 1sxr h HIS 182 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1sxr h HIS 182 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1sxr h HIS 182 CO 0.64 0.00 0.00 0.72 0.86 0.00 0.00 177.93 180.15