#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxi s ARG 2 N 0.00 -0.05 -0.45 0.03 1.81 -1.26 -5.00 118.95 114.03 1xxi s ARG 2 Ca 0.00 0.32 -0.28 0.00 -1.72 0.00 0.00 55.73 54.06 1xxi s ARG 2 Cb 0.00 -0.38 -0.01 0.00 -0.45 0.00 0.00 34.95 34.11 1xxi s ARG 2 CO 0.00 -0.26 1.69 -0.46 -0.68 0.00 0.00 175.30 175.59 1xxi s TRP 3 N 1.73 1.94 0.49 -0.53 -0.00 -1.26 -4.78 118.94 116.53 1xxi s TRP 3 Ca -0.01 0.66 -0.07 0.00 -0.00 0.00 0.00 56.10 56.68 1xxi s TRP 3 Cb -0.12 -4.19 -0.04 0.00 -0.00 0.00 0.00 33.47 29.12 1xxi s TRP 3 CO -0.03 -2.47 0.81 0.71 -0.00 0.00 0.00 176.95 175.97 1xxi s TYR 4 N 7.12 3.56 0.32 5.86 2.02 -1.26 -5.02 117.35 129.94 1xxi s TYR 4 Ca 0.69 0.90 0.06 0.00 -0.37 0.00 0.00 57.07 58.35 1xxi s TYR 4 Cb -0.17 -2.37 0.53 0.00 -0.40 0.00 0.00 41.96 39.56 1xxi s TYR 4 CO 0.29 -0.31 1.78 -1.00 -1.57 0.00 0.00 175.55 174.74 1xxi h PRO 5 N 0.29 0.35 0.00 -1.71 0.13 -2.00 -3.05 132.00 126.00 1xxi h PRO 5 Ca -0.47 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1xxi h PRO 5 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xxi h PRO 5 CO 0.62 0.58 0.00 0.11 -0.23 0.00 0.00 178.00 179.08 1xxi h TRP 6 N 0.32 0.00 0.00 1.56 0.09 -1.97 -2.90 115.95 113.05 1xxi h TRP 6 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.03 1xxi h TRP 6 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.85 1xxi h TRP 6 CO 0.01 0.00 0.00 1.28 0.09 0.00 0.00 178.44 179.82 1xxi n LEU 7 N -2.49 0.00 0.14 0.11 4.77 -1.15 -4.12 117.00 114.26 1xxi n LEU 7 Ca 0.03 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1xxi n LEU 7 Cb 0.31 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1xxi n LEU 7 CO 0.25 -0.13 0.19 0.08 -1.33 0.00 0.00 177.39 176.46 1xxi h ARG 8 N 0.00 -0.43 -1.10 3.23 0.11 -1.71 -2.10 114.38 112.39 1xxi h ARG 8 Ca 0.00 0.03 0.30 0.00 0.10 0.00 0.00 59.98 60.41 1xxi h ARG 8 Cb 0.22 0.10 -0.10 0.00 1.11 0.00 0.00 29.97 31.30 1xxi h ARG 8 CO 0.00 -0.26 0.71 -1.35 0.10 0.00 0.00 179.97 179.16 1xxi h PRO 9 N -1.11 0.31 -0.05 0.08 0.11 -1.81 0.61 132.00 130.14 1xxi h PRO 9 Ca -0.05 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 1xxi h PRO 9 Cb 0.36 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.41 1xxi h PRO 9 CO 0.07 0.21 -0.48 -0.44 -0.21 0.00 0.00 178.00 177.15 1xxi h ASP 10 N 0.32 0.51 0.17 -2.05 5.19 -1.78 -3.08 116.42 115.70 1xxi h ASP 10 Ca 0.64 -0.70 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1xxi h ASP 10 Cb 1.73 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 41.09 1xxi h ASP 10 CO -0.32 1.13 -0.07 0.15 -3.12 0.00 0.00 179.24 177.01 1xxi h PHE 11 N -0.07 0.00 0.53 4.55 3.04 0.78 -2.37 116.94 123.39 1xxi h PHE 11 Ca -0.05 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.88 1xxi h PHE 11 Cb 1.15 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.67 1xxi h PHE 11 CO 0.13 0.07 -0.25 1.49 -2.02 0.00 0.00 178.31 177.73 1xxi h GLU 12 N 0.00 -0.68 0.00 1.11 4.81 -0.47 -3.00 114.58 116.34 1xxi h GLU 12 Ca -0.00 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1xxi h GLU 12 Cb 0.17 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1xxi h GLU 12 CO 0.01 -0.38 -0.06 1.57 -0.73 0.00 0.00 179.01 179.42 1xxi h LYS 13 N -1.01 0.00 0.00 1.92 2.10 -1.52 -1.18 116.57 116.89 1xxi h LYS 13 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1xxi h LYS 13 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1xxi h LYS 13 CO 0.12 0.06 0.00 -0.07 -2.00 0.00 0.00 179.45 177.56 1xxi h LEU 14 N 0.00 0.00 0.01 7.07 3.38 -1.39 -2.81 115.31 121.56 1xxi h LEU 14 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1xxi h LEU 14 Cb 0.49 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1xxi h LEU 14 CO 0.01 0.00 -2.29 0.52 0.09 0.00 0.00 178.44 176.77 1xxi n VAL 15 N -2.94 1.47 0.11 1.22 0.31 -1.07 -3.79 118.33 113.65 1xxi n VAL 15 Ca 0.03 -0.76 0.06 0.00 -0.01 0.00 0.00 64.34 63.65 1xxi n VAL 15 Cb 0.42 -0.87 0.30 0.00 -0.91 0.00 0.00 33.84 32.78 1xxi n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xxi n ALA 16 N -2.87 1.07 -0.06 3.52 0.00 -0.47 -0.43 120.51 121.27 1xxi n ALA 16 Ca -0.34 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 1xxi n ALA 16 Cb 1.09 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 19.25 1xxi n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xxi n SER 17 N -1.87 1.07 -0.01 0.00 3.41 -1.08 -3.82 113.62 111.32 1xxi n SER 17 Ca -0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.75 1xxi n SER 17 Cb 0.03 1.07 0.73 0.00 -0.26 0.00 0.00 64.21 65.79 1xxi n SER 17 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xxi n TYR 18 N -2.49 0.00 -0.10 7.33 4.01 0.43 -1.27 117.16 125.07 1xxi n TYR 18 Ca -0.21 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.39 1xxi n TYR 18 Cb 0.90 -0.29 -0.11 0.00 -0.31 0.00 0.00 39.34 39.54 1xxi n TYR 18 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1xxi n GLN 19 N -1.27 0.72 -0.19 -0.72 7.27 -0.34 -4.52 117.38 118.33 1xxi n GLN 19 Ca 0.14 0.09 0.10 0.00 0.07 0.00 0.00 57.00 57.41 1xxi n GLN 19 Cb 0.25 -1.44 0.27 0.00 2.41 0.00 0.00 30.24 31.73 1xxi n GLN 19 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xxi n ALA 20 N -3.02 2.45 0.00 1.69 0.00 -1.21 -4.97 120.51 115.45 1xxi n ALA 20 Ca -0.36 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1xxi n ALA 20 Cb 0.95 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1xxi n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xxi n GLY 21 N 1.36 3.11 0.00 0.00 0.00 -0.72 -4.89 105.19 104.05 1xxi n GLY 21 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1xxi n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxi n ARG 22 N -1.56 0.15 -1.70 1.61 5.12 -0.60 -4.85 116.66 114.84 1xxi n ARG 22 Ca 0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.48 1xxi n ARG 22 Cb 0.00 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.79 1xxi n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xxi n GLY 23 N -0.68 1.30 3.56 -0.13 0.00 -0.39 -4.91 105.19 103.93 1xxi n GLY 23 Ca 0.04 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 1xxi n GLY 23 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xxi s HIS 24 N 0.84 3.16 -0.43 1.61 2.46 -1.26 -4.94 115.29 116.73 1xxi s HIS 24 Ca 0.75 0.21 0.02 0.00 0.47 0.00 0.00 55.06 56.50 1xxi s HIS 24 Cb -0.58 -3.01 0.09 0.00 -0.13 0.00 0.00 32.58 28.94 1xxi s HIS 24 CO 0.38 -0.59 0.82 -2.39 -2.47 0.00 0.00 174.74 170.49 1xxi n HIS 25 N 5.86 0.06 -3.67 3.88 1.44 -1.26 -4.17 115.22 117.36 1xxi n HIS 25 Ca -0.04 0.03 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 1xxi n HIS 25 Cb 0.49 -0.30 -0.17 0.00 0.12 0.00 0.00 29.99 30.12 1xxi n HIS 25 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xxi s ALA 26 N -2.62 0.08 -0.11 1.59 0.00 -1.26 -0.57 121.76 118.86 1xxi s ALA 26 Ca -0.00 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1xxi s ALA 26 Cb 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1xxi s ALA 26 CO 0.01 -0.54 -0.15 -1.17 0.00 0.00 0.00 175.76 173.92 1xxi s LEU 27 N 2.22 1.69 -0.27 0.00 2.96 -0.82 -1.64 118.68 122.81 1xxi s LEU 27 Ca 0.04 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1xxi s LEU 27 Cb -0.12 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.50 1xxi s LEU 27 CO -0.04 0.00 0.03 -0.22 -1.32 0.00 0.00 176.35 174.80 1xxi s LEU 28 N 1.07 3.55 -0.19 -0.68 2.96 -0.87 0.30 118.68 124.81 1xxi s LEU 28 Ca -0.05 -0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 53.14 1xxi s LEU 28 Cb -0.15 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1xxi s LEU 28 CO -0.03 -0.14 0.04 -0.63 -1.32 0.00 0.00 176.35 174.27 1xxi s ILE 29 N 1.47 4.43 -0.16 6.68 1.09 -1.08 -1.50 121.20 132.14 1xxi s ILE 29 Ca 0.03 -0.15 -0.04 0.00 -1.10 0.00 0.00 60.65 59.38 1xxi s ILE 29 Cb -0.16 -3.00 -0.03 0.00 -1.06 0.00 0.00 42.46 38.20 1xxi s ILE 29 CO 0.00 0.44 -0.02 0.00 -0.10 0.00 0.00 174.94 175.26 1xxi s GLN 30 N 0.70 3.69 -0.08 2.79 -2.07 -1.11 -0.93 119.66 122.65 1xxi s GLN 30 Ca 0.02 -0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 52.76 1xxi s GLN 30 Cb -0.14 -2.95 0.09 0.00 -1.09 0.00 0.00 33.01 28.92 1xxi s GLN 30 CO 0.02 0.27 0.78 0.00 -1.32 0.00 0.00 175.29 175.04 1xxi s ALA 31 N 0.30 -1.82 0.91 2.60 0.00 -1.22 -2.16 121.76 120.38 1xxi s ALA 31 Ca -0.02 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 1xxi s ALA 31 Cb -0.14 -0.18 0.14 0.00 0.00 0.00 0.00 23.12 22.94 1xxi s ALA 31 CO 0.02 -0.37 1.11 -0.51 0.00 0.00 0.00 175.76 176.02 1xxi s LEU 32 N -1.24 2.59 0.76 0.00 1.43 -1.26 -4.37 118.68 116.59 1xxi s LEU 32 Ca -0.07 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 1xxi s LEU 32 Cb -0.00 -4.36 0.06 0.00 0.03 0.00 0.00 46.19 41.92 1xxi s LEU 32 CO 0.06 -2.95 1.20 -2.16 0.23 0.00 0.00 176.35 172.73 1xxi s PRO 33 N -4.71 1.94 -1.59 1.29 0.04 -1.26 -2.99 135.00 127.72 1xxi s PRO 33 Ca 0.65 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.28 1xxi s PRO 33 Cb -0.21 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1xxi s PRO 33 CO 0.58 -1.98 0.83 0.41 0.04 0.00 0.00 177.00 176.88 1xxi n GLY 34 N 0.34 -0.44 0.71 0.56 0.00 -1.26 -4.31 105.19 100.80 1xxi n GLY 34 Ca 0.13 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1xxi n GLY 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xxi n MET 35 N -4.51 2.03 -0.88 1.61 2.81 -1.16 -0.38 117.12 116.64 1xxi n MET 35 Ca 0.00 -1.83 0.00 0.00 -1.81 0.00 0.00 57.70 54.06 1xxi n MET 35 Cb 0.53 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 1xxi n MET 35 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xxi n GLY 36 N 0.80 0.60 0.37 3.03 0.00 -1.26 -4.91 105.19 103.81 1xxi n GLY 36 Ca 0.12 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.41 1xxi n GLY 36 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xxi h ASP 37 N 0.00 0.99 0.06 1.61 3.58 -1.91 -2.35 116.42 118.41 1xxi h ASP 37 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1xxi h ASP 37 Cb 0.15 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1xxi h ASP 37 CO 0.00 0.60 -0.19 -0.78 -2.88 0.00 0.00 179.24 175.99 1xxi h ASP 38 N 1.11 -0.57 0.04 2.28 1.82 -1.97 -3.09 116.42 116.04 1xxi h ASP 38 Ca 0.46 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 57.15 1xxi h ASP 38 Cb 0.29 0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 1xxi h ASP 38 CO -0.20 -0.21 -0.02 0.00 -1.61 0.00 0.00 179.24 177.20 1xxi h ALA 39 N -1.22 1.64 -0.31 -0.78 0.00 -1.77 -3.03 119.26 113.78 1xxi h ALA 39 Ca -0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1xxi h ALA 39 Cb 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xxi h ALA 39 CO -0.09 0.03 -0.49 1.25 0.00 0.00 0.00 179.25 179.95 1xxi h LEU 40 N 0.00 0.97 0.43 0.00 5.85 -1.35 -1.45 115.31 119.76 1xxi h LEU 40 Ca -0.00 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1xxi h LEU 40 Cb 0.05 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1xxi h LEU 40 CO 0.00 1.30 -0.21 0.40 -0.34 0.00 0.00 178.44 179.59 1xxi h ILE 41 N 0.68 0.57 -0.31 4.05 1.08 -1.54 -1.96 117.51 120.09 1xxi h ILE 41 Ca 0.03 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.36 1xxi h ILE 41 Cb 1.09 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 1xxi h ILE 41 CO 0.11 0.03 0.04 0.22 -0.69 0.00 0.00 178.15 177.87 1xxi h TYR 42 N -0.68 0.06 -0.27 1.37 3.20 -1.63 -1.78 116.97 117.23 1xxi h TYR 42 Ca -0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1xxi h TYR 42 Cb 0.50 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1xxi h TYR 42 CO -0.02 -0.00 0.13 0.00 -1.64 0.00 0.00 178.16 176.63 1xxi h ALA 43 N 1.24 1.72 -0.07 1.82 0.00 -1.23 -2.50 119.26 120.23 1xxi h ALA 43 Ca 0.14 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1xxi h ALA 43 Cb 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xxi h ALA 43 CO -0.21 0.24 -0.74 -0.07 0.00 0.00 0.00 179.25 178.46 1xxi h LEU 44 N 0.38 0.78 -1.32 0.00 3.38 -0.78 -3.30 115.31 114.44 1xxi h LEU 44 Ca 0.10 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 1xxi h LEU 44 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1xxi h LEU 44 CO -0.01 1.35 -0.22 0.77 0.09 0.00 0.00 178.44 180.42 1xxi h SER 45 N 0.28 0.17 0.46 -0.43 4.64 -0.98 -2.47 113.55 115.22 1xxi h SER 45 Ca -0.07 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1xxi h SER 45 Cb 1.40 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1xxi h SER 45 CO 0.15 0.40 -0.12 0.03 -0.87 0.00 0.00 176.83 176.42 1xxi h ARG 46 N 0.17 0.00 0.09 4.77 2.47 -1.53 0.12 114.38 120.47 1xxi h ARG 46 Ca 0.03 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.48 1xxi h ARG 46 Cb 0.48 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1xxi h ARG 46 CO 0.03 0.12 -1.16 -0.92 0.56 0.00 0.00 179.97 178.60 1xxi h TYR 47 N 0.00 0.74 0.00 3.04 3.20 -1.53 -3.31 116.97 119.10 1xxi h TYR 47 Ca -0.00 -0.47 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 1xxi h TYR 47 Cb 0.39 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1xxi h TYR 47 CO 0.00 1.32 -0.51 -0.07 -1.64 0.00 0.00 178.16 177.27 1xxi h LEU 48 N 0.20 0.00 -3.47 2.82 3.38 -1.36 -3.32 115.31 113.56 1xxi h LEU 48 Ca -0.14 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.60 1xxi h LEU 48 Cb 1.84 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.45 1xxi h LEU 48 CO 0.21 0.08 0.28 0.18 0.09 0.00 0.00 178.44 179.28 1xxi n LEU 49 N -2.94 5.67 -4.74 1.67 4.32 -0.02 -4.54 117.00 116.41 1xxi n LEU 49 Ca 0.02 -2.95 -0.35 0.00 -0.02 0.00 0.00 56.01 52.70 1xxi n LEU 49 Cb 0.57 -0.73 -0.08 0.00 -1.62 0.00 0.00 43.42 41.57 1xxi n LEU 49 CO 0.37 0.77 -0.22 0.00 -1.22 0.00 0.00 177.39 177.10 1xxi h GLN 51 N 5.90 0.51 -2.08 0.00 1.08 -1.91 -3.39 115.11 115.21 1xxi h GLN 51 Ca -0.46 -0.77 -0.57 0.00 -1.45 0.00 0.00 58.65 55.40 1xxi h GLN 51 Cb 1.19 0.27 -0.40 0.00 -0.05 0.00 0.00 27.48 28.49 1xxi h GLN 51 CO 0.65 1.35 -0.90 1.04 -0.95 0.00 0.00 178.83 180.03 1xxi n GLN 52 N -3.71 1.52 -1.82 1.46 6.02 -1.26 -5.12 117.38 114.47 1xxi n GLN 52 Ca -0.13 -3.85 -0.38 0.00 -0.01 0.00 0.00 57.00 52.63 1xxi n GLN 52 Cb 1.03 -1.68 0.05 0.00 1.02 0.00 0.00 30.24 30.66 1xxi n GLN 52 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1xxi s PRO 53 N -1.84 2.97 -0.01 -1.09 0.04 -1.26 -4.12 135.00 129.70 1xxi s PRO 53 Ca 0.38 2.12 0.19 0.00 0.04 0.00 0.00 61.00 63.73 1xxi s PRO 53 Cb 0.18 -2.11 0.56 0.00 0.04 0.00 0.00 34.50 33.17 1xxi s PRO 53 CO -0.07 -1.29 1.47 1.04 0.04 0.00 0.00 177.00 178.19 1xxi n GLN 54 N -1.33 2.55 0.00 4.56 6.02 -0.31 -4.93 117.38 123.95 1xxi n GLN 54 Ca 0.12 -2.27 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 1xxi n GLN 54 Cb 0.47 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1xxi n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xxi n GLY 55 N 1.44 2.04 0.00 1.08 0.00 -1.26 -4.77 105.19 103.72 1xxi n GLY 55 Ca 0.21 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.74 1xxi n GLY 55 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xxi n HIS 56 N 0.00 0.00 -4.30 1.61 8.25 -1.26 -5.05 115.22 114.47 1xxi n HIS 56 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1xxi n HIS 56 Cb 0.00 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 30.83 1xxi n HIS 56 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xxi n LYS 57 N -1.77 0.42 -2.13 -0.41 3.00 -1.26 -4.98 118.16 111.03 1xxi n LYS 57 Ca -0.01 -3.36 -0.28 0.00 -0.00 0.00 0.00 58.31 54.65 1xxi n LYS 57 Cb 0.25 2.70 0.18 0.00 0.00 0.00 0.00 35.03 38.15 1xxi n LYS 57 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1xxi s SER 58 N -3.36 3.30 -0.14 3.14 0.01 -1.26 -1.16 113.70 114.24 1xxi s SER 58 Ca 0.39 0.00 -0.02 0.00 1.31 0.00 0.00 55.95 57.63 1xxi s SER 58 Cb 0.02 -0.08 -0.24 0.00 0.21 0.00 0.00 66.02 65.93 1xxi s SER 58 CO 0.27 -2.59 0.30 0.00 0.41 0.00 0.00 173.24 171.63 1xxi n GLY 60 N 1.97 3.32 0.09 0.00 0.00 -1.26 -4.92 105.19 104.38 1xxi n GLY 60 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1xxi n GLY 60 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xxi n HIS 61 N -1.94 0.65 -1.07 1.61 8.25 -1.26 -4.23 115.22 117.23 1xxi n HIS 61 Ca 0.00 0.28 -0.34 0.00 -0.26 0.00 0.00 57.72 57.40 1xxi n HIS 61 Cb 0.00 -0.78 0.01 0.00 1.12 0.00 0.00 29.99 30.35 1xxi n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xxi h ARG 63 N -0.17 0.13 0.72 0.00 3.08 -1.96 0.13 114.38 116.31 1xxi h ARG 63 Ca -0.37 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 1xxi h ARG 63 Cb 1.27 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.29 1xxi h ARG 63 CO 0.34 0.08 -0.35 0.78 -1.07 0.00 0.00 179.97 179.76 1xxi h GLY 64 N 0.13 -1.01 0.01 0.04 0.00 -1.88 -0.01 103.07 100.36 1xxi h GLY 64 Ca 0.62 0.37 0.20 0.00 0.00 0.00 0.00 47.33 48.52 1xxi h GLY 64 CO -0.74 -0.37 0.51 0.00 0.00 0.00 0.00 176.54 175.94 1xxi h GLN 66 N 0.60 -0.25 0.00 0.00 4.15 -0.77 0.15 115.11 118.99 1xxi h GLN 66 Ca 0.56 0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.00 1xxi h GLN 66 Cb 0.95 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1xxi h GLN 66 CO -0.44 0.16 0.00 -0.07 -1.93 0.00 0.00 178.83 176.55 1xxi h LEU 67 N -0.80 0.00 0.06 -2.39 3.38 -0.57 0.14 115.31 115.13 1xxi h LEU 67 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1xxi h LEU 67 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1xxi h LEU 67 CO 0.04 0.00 -0.36 -0.03 0.09 0.00 0.00 178.44 178.18 1xxi h MET 68 N 0.00 0.15 0.00 1.13 4.05 0.11 -1.86 114.93 118.51 1xxi h MET 68 Ca 0.00 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.18 1xxi h MET 68 Cb 0.17 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1xxi h MET 68 CO 0.00 1.09 -0.05 1.96 0.23 0.00 0.00 176.91 180.14 1xxi h GLN 69 N -0.68 0.00 -0.02 0.39 1.08 0.45 0.26 115.11 116.60 1xxi h GLN 69 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1xxi h GLN 69 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1xxi h GLN 69 CO 0.07 0.05 -0.02 0.00 -0.95 0.00 0.00 178.83 177.97 1xxi n ALA 70 N -2.14 2.60 0.00 3.87 0.00 0.39 -4.96 120.51 120.27 1xxi n ALA 70 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1xxi n ALA 70 Cb 0.24 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1xxi n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xxi n GLY 71 N 1.21 1.38 3.67 0.00 0.00 0.90 -4.89 105.19 107.47 1xxi n GLY 71 Ca 0.18 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 1xxi n GLY 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xxi n THR 72 N 0.00 0.63 -3.75 2.61 -1.04 -1.18 -4.62 114.28 106.93 1xxi n THR 72 Ca 0.00 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 61.76 1xxi n THR 72 Cb 0.00 -2.08 -0.09 0.00 -1.82 0.00 0.00 70.33 66.34 1xxi n THR 72 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1xxi s HIS 73 N 4.03 -0.24 -1.90 -1.42 5.04 -1.26 -4.46 115.29 115.07 1xxi s HIS 73 Ca 0.90 0.44 0.29 0.00 -1.54 0.00 0.00 55.06 55.15 1xxi s HIS 73 Cb -0.56 0.11 1.68 0.00 0.04 0.00 0.00 32.58 33.85 1xxi s HIS 73 CO 0.46 -0.35 2.05 -2.30 -2.34 0.00 0.00 174.74 172.26 1xxi n PRO 74 N 1.63 0.82 0.00 2.88 -0.02 -1.26 -3.80 135.00 135.25 1xxi n PRO 74 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1xxi n PRO 74 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1xxi n PRO 74 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xxi n ASP 75 N -1.05 0.61 -4.67 2.55 8.00 -1.26 -4.60 116.55 116.13 1xxi n ASP 75 Ca 0.20 -0.33 -0.38 0.00 0.71 0.00 0.00 54.79 54.99 1xxi n ASP 75 Cb 0.12 0.79 -0.08 0.00 -0.02 0.00 0.00 41.12 41.93 1xxi n ASP 75 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1xxi s TYR 76 N -0.91 3.37 -0.21 1.24 6.14 -1.25 -0.80 117.35 124.94 1xxi s TYR 76 Ca 0.00 0.56 -0.01 0.00 0.64 0.00 0.00 57.07 58.26 1xxi s TYR 76 Cb 0.00 -2.47 0.06 0.00 0.42 0.00 0.00 41.96 39.96 1xxi s TYR 76 CO 0.00 0.02 -0.02 0.71 0.64 0.00 0.00 175.55 176.91 1xxi s TYR 77 N 1.20 1.71 -0.36 4.97 2.02 -0.80 -4.76 117.35 121.33 1xxi s TYR 77 Ca 0.17 -1.27 -0.22 0.00 -0.37 0.00 0.00 57.07 55.37 1xxi s TYR 77 Cb -0.14 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1xxi s TYR 77 CO 0.07 -0.68 0.74 0.99 -1.57 0.00 0.00 175.55 175.10 1xxi s THR 78 N 1.63 4.78 -1.12 -0.71 2.01 -1.26 -2.45 115.64 118.51 1xxi s THR 78 Ca -0.03 0.79 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 1xxi s THR 78 Cb -0.18 -4.17 0.27 0.00 0.01 0.00 0.00 72.50 68.43 1xxi s THR 78 CO -0.07 -0.40 1.70 0.18 -0.69 0.00 0.00 174.62 175.34 1xxi n LEU 79 N 6.31 6.81 -4.80 4.42 4.32 -0.46 -5.01 117.00 128.61 1xxi n LEU 79 Ca 0.02 -5.14 -0.35 0.00 -0.02 0.00 0.00 56.01 50.52 1xxi n LEU 79 Cb 0.48 -1.29 -0.05 0.00 -1.62 0.00 0.00 43.42 40.95 1xxi n LEU 79 CO 0.52 1.75 0.70 0.00 -1.22 0.00 0.00 177.39 179.15 1xxi s ALA 80 N -2.49 3.00 0.79 -1.18 0.00 -1.26 -3.91 121.76 116.71 1xxi s ALA 80 Ca 0.36 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.77 1xxi s ALA 80 Cb 0.10 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 20.07 1xxi s ALA 80 CO 0.02 -0.14 1.16 -1.25 0.00 0.00 0.00 175.76 175.56 1xxi s PRO 81 N -2.92 1.84 -0.15 0.00 0.04 -1.26 -4.86 135.00 127.68 1xxi s PRO 81 Ca 0.62 1.58 -0.37 0.00 0.04 0.00 0.00 61.00 62.87 1xxi s PRO 81 Cb -0.16 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 1xxi s PRO 81 CO 0.21 -2.03 1.80 0.39 0.04 0.00 0.00 177.00 177.41 1xxi n GLU 82 N -3.31 1.72 -1.58 4.56 1.02 -1.16 -4.82 120.64 117.06 1xxi n GLU 82 Ca 0.12 0.63 -0.48 0.00 -0.02 0.00 0.00 57.16 57.41 1xxi n GLU 82 Cb 0.51 -2.40 -0.05 0.00 -0.02 0.00 0.00 31.44 29.48 1xxi n GLU 82 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xxi n LYS 83 N 5.87 1.71 0.00 3.49 3.00 -1.26 -2.00 118.16 128.98 1xxi n LYS 83 Ca 0.24 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 59.10 1xxi n LYS 83 Cb 0.22 -2.70 0.00 0.00 0.00 0.00 0.00 35.03 32.56 1xxi n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xxi n GLY 84 N 5.46 3.37 3.89 3.14 0.00 -1.26 -5.09 105.19 114.70 1xxi n GLY 84 Ca 0.31 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1xxi n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxi s LYS 85 N 0.00 3.66 -0.06 1.61 1.02 -0.85 -5.00 119.74 120.12 1xxi s LYS 85 Ca 0.00 0.25 0.09 0.00 0.02 0.00 0.00 55.97 56.32 1xxi s LYS 85 Cb 0.00 -2.45 0.35 0.00 -0.52 0.00 0.00 37.83 35.21 1xxi s LYS 85 CO 0.00 -0.03 1.17 0.09 -0.92 0.00 0.00 175.35 175.66 1xxi n ASN 86 N -1.55 2.62 -3.89 2.83 3.02 -1.26 -4.59 115.26 112.44 1xxi n ASN 86 Ca 0.01 -2.24 -0.19 0.00 -0.03 0.00 0.00 54.58 52.12 1xxi n ASN 86 Cb 0.54 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 39.20 1xxi n ASN 86 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xxi s THR 87 N -1.69 0.28 0.24 3.41 -4.23 -1.26 -4.89 115.64 107.49 1xxi s THR 87 Ca 0.25 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.85 1xxi s THR 87 Cb 0.16 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1xxi s THR 87 CO 0.11 0.00 0.01 -0.22 -0.54 0.00 0.00 174.62 173.99 1xxi s LEU 88 N -3.39 3.27 0.12 4.79 0.20 -1.17 -3.01 118.68 119.48 1xxi s LEU 88 Ca 0.35 -0.56 0.04 0.00 0.69 0.00 0.00 54.13 54.65 1xxi s LEU 88 Cb 0.04 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 1xxi s LEU 88 CO 0.19 0.02 0.12 -0.83 -0.29 0.00 0.00 176.35 175.56 1xxi s GLY 89 N -3.52 1.87 0.58 7.98 0.00 -1.26 -3.13 107.32 109.84 1xxi s GLY 89 Ca 0.30 -1.10 0.34 0.00 0.00 0.00 0.00 44.72 44.26 1xxi s GLY 89 CO 0.20 -1.10 2.16 -2.08 0.00 0.00 0.00 173.10 172.28 1xxi h VAL 90 N 2.27 0.28 0.47 1.40 2.07 -1.92 -3.07 116.25 117.76 1xxi h VAL 90 Ca -0.47 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1xxi h VAL 90 Cb 1.18 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1xxi h VAL 90 CO 0.65 0.05 -0.23 0.44 0.02 0.00 0.00 177.57 178.50 1xxi h ASP 91 N 0.00 -0.54 -0.83 0.57 3.32 -1.99 -2.94 116.42 114.02 1xxi h ASP 91 Ca -0.00 0.02 0.20 0.00 0.02 0.00 0.00 57.03 57.27 1xxi h ASP 91 Cb 0.25 0.14 -0.14 0.00 0.22 0.00 0.00 39.33 39.80 1xxi h ASP 91 CO 0.01 -0.14 0.06 0.00 -1.72 0.00 0.00 179.24 177.44 1xxi h ALA 92 N -1.23 0.96 0.66 3.45 0.00 -1.96 -1.48 119.26 119.66 1xxi h ALA 92 Ca -0.06 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1xxi h ALA 92 Cb 0.48 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xxi h ALA 92 CO 0.11 -0.45 -0.39 0.28 0.00 0.00 0.00 179.25 178.80 1xxi h VAL 93 N 0.11 0.21 -0.99 0.00 2.07 -1.64 -2.69 116.25 113.32 1xxi h VAL 93 Ca 0.47 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.15 1xxi h VAL 93 Cb 0.89 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 1xxi h VAL 93 CO -0.71 0.00 0.61 0.03 0.02 0.00 0.00 177.57 177.52 1xxi h ARG 94 N -0.98 0.82 0.00 1.57 2.47 -1.12 0.01 114.38 117.14 1xxi h ARG 94 Ca -0.08 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1xxi h ARG 94 Cb 0.79 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1xxi h ARG 94 CO 0.10 0.54 0.00 0.39 0.56 0.00 0.00 179.97 181.56 1xxi n GLU 95 N -4.72 0.22 -0.03 0.04 1.02 -0.65 -2.24 120.64 114.28 1xxi n GLU 95 Ca 0.21 0.37 0.05 0.00 -0.02 0.00 0.00 57.16 57.77 1xxi n GLU 95 Cb 0.48 -1.87 -0.16 0.00 -0.02 0.00 0.00 31.44 29.87 1xxi n GLU 95 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xxi n VAL 96 N -2.27 0.37 0.34 2.62 0.31 -0.38 -3.37 118.33 115.95 1xxi n VAL 96 Ca 0.03 -0.58 -0.16 0.00 -0.01 0.00 0.00 64.34 63.63 1xxi n VAL 96 Cb 0.29 -0.12 -0.08 0.00 -0.91 0.00 0.00 33.84 33.02 1xxi n VAL 96 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1xxi h THR 97 N 0.00 0.21 0.00 2.52 2.02 -0.68 -2.53 112.91 114.45 1xxi h THR 97 Ca -0.15 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1xxi h THR 97 Cb 1.31 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1xxi h THR 97 CO 0.01 0.02 0.00 1.05 0.37 0.00 0.00 175.52 176.97 1xxi h GLU 98 N -1.10 0.00 -0.05 6.66 4.11 -1.65 -1.94 114.58 120.61 1xxi h GLU 98 Ca -0.09 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.22 1xxi h GLU 98 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1xxi h GLU 98 CO 0.15 0.00 -0.51 -0.22 0.07 0.00 0.00 179.01 178.50 1xxi h LYS 99 N 0.00 0.13 0.00 1.06 3.64 -1.52 -2.79 116.57 117.09 1xxi h LYS 99 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xxi h LYS 99 Cb 0.40 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1xxi h LYS 99 CO 0.00 0.61 -0.75 -0.07 -2.27 0.00 0.00 179.45 176.97 1xxi h LEU 100 N 0.11 0.00 0.00 5.20 3.38 -0.93 -3.34 115.31 119.73 1xxi h LEU 100 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xxi h LEU 100 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1xxi h LEU 100 CO 0.07 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.29 1xxi n ASN 101 N -2.21 0.00 -4.46 -0.43 5.03 -1.01 -4.65 115.26 107.53 1xxi n ASN 101 Ca 0.02 0.33 -0.30 0.00 0.87 0.00 0.00 54.58 55.51 1xxi n ASN 101 Cb 0.46 -0.39 -0.12 0.00 -1.02 0.00 0.00 39.78 38.70 1xxi n ASN 101 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1xxi s GLU 102 N -2.79 1.90 0.25 3.52 -1.05 -1.25 -5.10 118.70 114.17 1xxi s GLU 102 Ca 0.06 -1.09 -0.26 0.00 -0.15 0.00 0.00 54.97 53.53 1xxi s GLU 102 Cb 0.06 -2.13 -0.17 0.00 -0.44 0.00 0.00 34.13 31.45 1xxi s GLU 102 CO 0.14 0.51 0.43 0.72 0.95 0.00 0.00 175.26 178.01 1xxi n HIS 103 N 1.24 -0.83 -2.01 4.83 8.25 -1.26 -4.87 115.22 120.57 1xxi n HIS 103 Ca -0.16 0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 57.76 1xxi n HIS 103 Cb 0.52 -1.92 -0.03 0.00 1.12 0.00 0.00 29.99 29.68 1xxi n HIS 103 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xxi s ALA 104 N -1.16 3.67 0.48 -1.41 0.00 -1.26 -4.91 121.76 117.17 1xxi s ALA 104 Ca 0.63 1.15 0.20 0.00 0.00 0.00 0.00 51.96 53.93 1xxi s ALA 104 Cb -0.86 -3.66 1.22 0.00 0.00 0.00 0.00 23.12 19.83 1xxi s ALA 104 CO 0.58 -1.00 1.98 0.00 0.00 0.00 0.00 175.76 177.32 1xxi h ARG 105 N 7.97 0.19 -0.35 0.00 3.08 -1.89 -1.20 114.38 122.17 1xxi h ARG 105 Ca -0.41 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1xxi h ARG 105 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1xxi h ARG 105 CO 0.92 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 181.22 1xxi n LEU 106 N -4.43 3.39 -2.74 3.04 4.32 -1.26 -5.02 117.00 114.29 1xxi n LEU 106 Ca 0.10 -1.47 -0.06 0.00 -0.02 0.00 0.00 56.01 54.56 1xxi n LEU 106 Cb 0.52 -0.23 0.01 0.00 -1.62 0.00 0.00 43.42 42.10 1xxi n LEU 106 CO 0.35 0.72 0.09 0.61 -1.22 0.00 0.00 177.39 177.94 1xxi n GLY 107 N 1.44 -1.23 0.00 -0.72 0.00 -0.45 -5.00 105.19 99.22 1xxi n GLY 107 Ca 0.18 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.20 1xxi n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxi n GLY 108 N -0.57 -0.62 3.91 -0.02 0.00 -1.26 -5.09 105.19 101.54 1xxi n GLY 108 Ca 0.09 0.30 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 1xxi n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxi s ALA 109 N -1.00 3.90 -0.05 4.61 0.00 -1.26 -4.86 121.76 123.10 1xxi s ALA 109 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1xxi s ALA 109 Cb 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 1xxi s ALA 109 CO 0.00 0.71 -0.19 0.15 0.00 0.00 0.00 175.76 176.43 1xxi s LYS 110 N -2.68 2.43 0.05 0.00 3.01 -1.24 -4.89 119.74 116.42 1xxi s LYS 110 Ca 0.38 -0.80 0.05 0.00 -1.01 0.00 0.00 55.97 54.60 1xxi s LYS 110 Cb -0.12 -2.25 -0.02 0.00 -1.01 0.00 0.00 37.83 34.42 1xxi s LYS 110 CO 0.27 0.55 -0.15 0.14 0.51 0.00 0.00 175.35 176.66 1xxi s VAL 111 N -0.56 1.23 0.04 3.17 -7.23 0.02 0.81 120.40 117.88 1xxi s VAL 111 Ca 0.08 -1.09 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 1xxi s VAL 111 Cb -0.11 -1.11 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 1xxi s VAL 111 CO 0.01 0.01 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.97 1xxi s VAL 112 N -0.90 1.15 0.01 1.32 1.01 0.07 -1.90 120.40 121.16 1xxi s VAL 112 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1xxi s VAL 112 Cb -0.08 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1xxi s VAL 112 CO 0.02 0.00 -0.01 0.86 0.00 0.00 0.00 175.10 175.97 1xxi s TRP 113 N -0.88 0.09 -0.03 5.22 -0.00 -1.02 0.05 118.94 122.36 1xxi s TRP 113 Ca 0.02 -0.14 0.05 0.00 -0.00 0.00 0.00 56.10 56.03 1xxi s TRP 113 Cb -0.08 -0.06 -0.03 0.00 -0.00 0.00 0.00 33.47 33.30 1xxi s TRP 113 CO 0.01 -0.05 -0.18 0.08 -0.00 0.00 0.00 176.95 176.81 1xxi s VAL 114 N -0.38 2.72 0.00 5.86 1.01 -0.29 -1.35 120.40 127.98 1xxi s VAL 114 Ca -0.04 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 1xxi s VAL 114 Cb -0.03 -2.05 -0.16 0.00 0.00 0.00 0.00 36.38 34.14 1xxi s VAL 114 CO -0.00 0.55 1.18 0.74 0.00 0.00 0.00 175.10 177.57 1xxi h THR 115 N 4.33 0.68 -1.54 3.92 2.02 -1.87 -3.36 112.91 117.09 1xxi h THR 115 Ca -0.46 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.10 1xxi h THR 115 Cb 1.14 1.00 -0.23 0.00 -1.74 0.00 0.00 68.15 68.33 1xxi h THR 115 CO 0.49 0.12 -0.29 -0.62 0.37 0.00 0.00 175.52 175.59 1xxi s ASP 116 N -5.11 -0.91 0.54 4.18 -1.08 -1.25 -4.69 116.67 108.35 1xxi s ASP 116 Ca -0.14 0.92 0.33 0.00 -0.52 0.00 0.00 52.55 53.14 1xxi s ASP 116 Cb 0.02 1.92 1.35 0.00 -1.46 0.00 0.00 42.92 44.75 1xxi s ASP 116 CO 0.53 -0.26 1.97 0.00 0.52 0.00 0.00 175.17 177.94 1xxi h ALA 117 N 8.05 1.00 0.00 3.66 0.00 -1.77 -2.92 119.26 127.28 1xxi h ALA 117 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xxi h ALA 117 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xxi h ALA 117 CO 0.21 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1xxi n ALA 118 N -2.08 2.53 0.56 0.00 0.00 -1.26 -3.15 120.51 117.11 1xxi n ALA 118 Ca 0.01 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.40 1xxi n ALA 118 Cb 0.30 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.51 1xxi n ALA 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xxi n LEU 119 N -0.80 1.98 -4.88 0.00 4.77 -1.10 -5.03 117.00 111.94 1xxi n LEU 119 Ca 0.13 -0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 54.86 1xxi n LEU 119 Cb 0.06 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1xxi n LEU 119 CO 0.10 0.37 0.65 -1.48 -1.33 0.00 0.00 177.39 175.69 1xxi s LEU 120 N -1.25 3.31 0.39 2.23 2.34 -1.19 -3.04 118.68 121.48 1xxi s LEU 120 Ca 0.15 1.25 -0.25 0.00 0.06 0.00 0.00 54.13 55.33 1xxi s LEU 120 Cb 0.11 -4.25 -0.09 0.00 -0.56 0.00 0.00 46.19 41.40 1xxi s LEU 120 CO 0.20 -0.83 1.15 -0.89 -1.06 0.00 0.00 176.35 174.91 1xxi s THR 121 N -3.07 3.26 0.34 5.48 2.01 -1.18 -4.83 115.64 117.64 1xxi s THR 121 Ca 0.53 1.05 0.10 0.00 0.31 0.00 0.00 61.69 63.68 1xxi s THR 121 Cb -0.11 -3.59 0.33 0.00 0.01 0.00 0.00 72.50 69.14 1xxi s THR 121 CO 0.51 0.09 1.79 0.44 -0.69 0.00 0.00 174.62 176.77 1xxi h ASP 122 N 2.69 0.67 0.18 3.53 3.32 -1.96 0.59 116.42 125.44 1xxi h ASP 122 Ca -0.49 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 1xxi h ASP 122 Cb 1.23 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1xxi h ASP 122 CO 0.63 0.24 -0.44 0.00 -1.72 0.00 0.00 179.24 177.94 1xxi h ALA 123 N 1.63 1.00 0.00 3.45 0.00 -1.99 -2.64 119.26 120.72 1xxi h ALA 123 Ca 0.56 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xxi h ALA 123 Cb 1.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xxi h ALA 123 CO -0.33 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.41 1xxi h ALA 124 N 1.27 1.50 0.41 0.00 0.00 -0.18 -1.61 119.26 120.65 1xxi h ALA 124 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xxi h ALA 124 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xxi h ALA 124 CO 0.07 0.18 -0.20 0.00 0.00 0.00 0.00 179.25 179.30 1xxi h ALA 125 N 1.86 -0.55 -0.42 0.00 0.00 -1.01 -2.93 119.26 116.20 1xxi h ALA 125 Ca -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xxi h ALA 125 Cb 0.30 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1xxi h ALA 125 CO 0.02 -0.61 0.21 -0.91 0.00 0.00 0.00 179.25 177.95 1xxi h ASN 126 N -0.95 0.30 -0.25 0.00 2.35 -1.52 -1.50 115.58 114.01 1xxi h ASN 126 Ca -0.06 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1xxi h ASN 126 Cb 0.55 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1xxi h ASN 126 CO 0.09 0.22 0.32 0.00 -1.65 0.00 0.00 177.43 176.40 1xxi h ALA 127 N 1.22 1.85 0.13 -0.83 0.00 -1.34 -1.25 119.26 119.04 1xxi h ALA 127 Ca 0.18 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 1xxi h ALA 127 Cb 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xxi h ALA 127 CO -0.13 -0.44 -1.72 1.25 0.00 0.00 0.00 179.25 178.21 1xxi h LEU 128 N 0.00 0.44 -0.10 0.00 5.85 -1.10 -3.40 115.31 117.01 1xxi h LEU 128 Ca 0.12 -0.71 0.04 0.00 0.84 0.00 0.00 57.88 58.17 1xxi h LEU 128 Cb 0.75 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1xxi h LEU 128 CO -0.00 1.61 -0.29 0.25 -0.34 0.00 0.00 178.44 179.67 1xxi h LEU 129 N 0.08 -0.88 -1.81 2.25 5.85 -0.70 -2.80 115.31 117.29 1xxi h LEU 129 Ca -0.32 0.13 0.37 0.00 0.84 0.00 0.00 57.88 58.90 1xxi h LEU 129 Cb 2.05 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 43.39 1xxi h LEU 129 CO 0.15 -0.34 0.89 0.11 -0.34 0.00 0.00 178.44 178.90 1xxi h LYS 130 N -0.38 0.09 -0.02 1.25 1.79 -1.77 0.23 116.57 117.75 1xxi h LYS 130 Ca 0.09 -0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.33 1xxi h LYS 130 Cb 0.51 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1xxi h LYS 130 CO -0.31 0.06 -0.91 1.15 -1.08 0.00 0.00 179.45 178.35 1xxi h THR 131 N 0.09 1.37 0.00 -0.16 2.02 -1.75 -1.83 112.91 112.64 1xxi h THR 131 Ca 0.64 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1xxi h THR 131 Cb 2.34 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 71.08 1xxi h THR 131 CO -0.11 0.71 0.00 -0.07 0.37 0.00 0.00 175.52 176.42 1xxi h LEU 132 N 0.28 0.00 0.09 2.58 3.38 -0.61 -2.48 115.31 118.55 1xxi h LEU 132 Ca -0.08 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.61 1xxi h LEU 132 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1xxi h LEU 132 CO 0.16 0.00 -1.41 -0.33 0.09 0.00 0.00 178.44 176.95 1xxi h GLU 133 N 0.00 0.19 -2.35 1.13 5.08 -1.23 -3.36 114.58 114.04 1xxi h GLU 133 Ca 0.00 -0.33 -0.65 0.00 -1.00 0.00 0.00 59.36 57.38 1xxi h GLU 133 Cb 0.55 0.12 -0.38 0.00 0.50 0.00 0.00 28.75 29.54 1xxi h GLU 133 CO 0.00 1.06 -0.24 0.39 -1.00 0.00 0.00 179.01 179.22 1xxi n GLU 134 N -3.41 3.20 -1.84 2.33 -0.58 -0.70 -5.07 120.64 114.56 1xxi n GLU 134 Ca -0.12 -4.69 -0.43 0.00 -0.42 0.00 0.00 57.16 51.50 1xxi n GLU 134 Cb 1.02 -2.32 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 1xxi n GLU 134 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1xxi s PRO 135 N -2.82 3.23 -0.14 3.49 0.04 -0.98 -4.78 135.00 133.02 1xxi s PRO 135 Ca 0.40 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1xxi s PRO 135 Cb 0.15 -4.27 -0.06 0.00 0.04 0.00 0.00 34.50 30.36 1xxi s PRO 135 CO -0.02 -1.99 2.06 -2.14 0.04 0.00 0.00 177.00 174.95 1xxi s PRO 136 N 5.98 3.52 -0.06 0.56 0.02 -1.26 -4.80 135.00 138.96 1xxi s PRO 136 Ca 0.88 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.88 1xxi s PRO 136 Cb -0.26 -4.26 -0.08 0.00 0.02 0.00 0.00 34.50 29.92 1xxi s PRO 136 CO 0.34 -1.65 0.47 0.00 -0.33 0.00 0.00 177.00 175.83 1xxi n ALA 137 N 9.99 -1.30 -2.28 -1.55 0.00 -1.26 -2.34 120.51 121.77 1xxi n ALA 137 Ca 0.25 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.72 1xxi n ALA 137 Cb 0.44 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 1xxi n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xxi n GLU 138 N 0.89 -1.51 -2.97 0.00 1.02 -1.26 -4.96 120.64 111.85 1xxi n GLU 138 Ca 0.09 0.95 -0.20 0.00 -0.02 0.00 0.00 57.16 57.98 1xxi n GLU 138 Cb 0.01 -5.49 0.02 0.00 -0.02 0.00 0.00 31.44 25.96 1xxi n GLU 138 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xxi s THR 139 N -2.93 3.34 -0.01 2.62 2.01 -0.99 -3.59 115.64 116.10 1xxi s THR 139 Ca 0.00 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 1xxi s THR 139 Cb 0.00 -3.20 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 1xxi s THR 139 CO 0.00 -0.11 0.04 0.26 -0.69 0.00 0.00 174.62 174.12 1xxi s TRP 140 N -2.51 0.03 0.07 4.92 0.52 0.24 -4.77 118.94 117.45 1xxi s TRP 140 Ca 0.52 -0.04 0.07 0.00 0.02 0.00 0.00 56.10 56.67 1xxi s TRP 140 Cb -0.10 -0.03 -0.03 0.00 -1.15 0.00 0.00 33.47 32.16 1xxi s TRP 140 CO 0.36 -0.09 -0.18 -0.06 0.02 0.00 0.00 176.95 176.99 1xxi s PHE 141 N -0.44 1.59 -0.25 -1.98 0.40 0.26 -0.75 117.98 116.81 1xxi s PHE 141 Ca -0.05 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.83 1xxi s PHE 141 Cb -0.03 -0.90 0.09 0.00 0.51 0.00 0.00 43.02 42.69 1xxi s PHE 141 CO -0.00 0.13 0.12 -0.06 0.70 0.00 0.00 175.22 176.11 1xxi s PHE 142 N -1.06 0.27 0.60 0.36 0.08 0.11 -1.95 117.98 116.39 1xxi s PHE 142 Ca 0.04 -0.70 -0.03 0.00 0.12 0.00 0.00 56.93 56.36 1xxi s PHE 142 Cb -0.09 -0.83 0.03 0.00 -0.57 0.00 0.00 43.02 41.56 1xxi s PHE 142 CO 0.03 -0.74 0.87 -0.51 -0.10 0.00 0.00 175.22 174.77 1xxi s LEU 143 N 2.12 3.15 -0.28 -0.37 2.01 0.86 -1.14 118.68 125.03 1xxi s LEU 143 Ca 0.07 0.32 -0.18 0.00 0.01 0.00 0.00 54.13 54.36 1xxi s LEU 143 Cb -0.16 -3.11 0.11 0.00 0.01 0.00 0.00 46.19 43.03 1xxi s LEU 143 CO -0.29 -1.23 0.83 0.00 1.01 0.00 0.00 176.35 176.67 1xxi s ALA 144 N -2.95 -2.02 -0.25 4.21 0.00 -1.26 -2.62 121.76 116.87 1xxi s ALA 144 Ca 0.57 2.26 -0.25 0.00 0.00 0.00 0.00 51.96 54.54 1xxi s ALA 144 Cb -0.10 -1.51 0.07 0.00 0.00 0.00 0.00 23.12 21.57 1xxi s ALA 144 CO 0.42 -0.35 0.72 0.99 0.00 0.00 0.00 175.76 177.53 1xxi s THR 145 N 1.30 0.00 0.05 0.00 2.01 -0.11 -2.31 115.64 116.58 1xxi s THR 145 Ca -0.08 -0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 1xxi s THR 145 Cb -0.04 -1.00 -0.13 0.00 0.01 0.00 0.00 72.50 71.34 1xxi s THR 145 CO -0.15 -0.00 1.41 0.08 -0.69 0.00 0.00 174.62 175.26 1xxi h ARG 146 N 4.85 0.32 -4.55 4.92 0.11 -1.84 -3.23 114.38 114.95 1xxi h ARG 146 Ca -0.29 -0.14 -0.69 0.00 0.10 0.00 0.00 59.98 58.96 1xxi h ARG 146 Cb 1.16 -0.01 -0.35 0.00 1.11 0.00 0.00 29.97 31.88 1xxi h ARG 146 CO 0.08 0.63 -0.59 -1.83 0.10 0.00 0.00 179.97 178.36 1xxi s GLU 147 N -4.59 2.03 0.00 0.08 1.03 -1.26 -4.41 118.70 111.57 1xxi s GLU 147 Ca -0.14 -1.73 0.28 0.00 0.03 0.00 0.00 54.97 53.41 1xxi s GLU 147 Cb 0.05 -3.48 1.34 0.00 -0.80 0.00 0.00 34.13 31.24 1xxi s GLU 147 CO 0.74 -0.98 1.94 -0.35 -1.33 0.00 0.00 175.26 175.28 1xxi n PRO 148 N 4.57 0.25 0.07 -4.83 -0.04 -1.26 -3.65 135.00 130.10 1xxi n PRO 148 Ca -0.03 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 1xxi n PRO 148 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 1xxi n PRO 148 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xxi h GLU 149 N 0.00 0.54 -1.46 0.54 3.07 -1.98 -3.12 114.58 112.17 1xxi h GLU 149 Ca 0.00 -0.71 0.00 0.00 -0.50 0.00 0.00 59.36 58.15 1xxi h GLU 149 Cb 0.35 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1xxi h GLU 149 CO 0.00 1.31 0.00 0.54 -1.40 0.00 0.00 179.01 179.46 1xxi n ARG 150 N -3.93 0.50 -4.74 2.33 1.74 -1.24 -4.60 116.66 106.72 1xxi n ARG 150 Ca -0.13 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.67 1xxi n ARG 150 Cb 0.90 -1.25 -0.14 0.00 -1.02 0.00 0.00 32.46 30.94 1xxi n ARG 150 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1xxi s LEU 151 N 0.00 2.18 -0.10 0.55 2.96 -1.18 -4.81 118.68 118.29 1xxi s LEU 151 Ca 0.00 -0.58 -0.31 0.00 -0.22 0.00 0.00 54.13 53.03 1xxi s LEU 151 Cb 0.00 -1.13 -0.09 0.00 0.50 0.00 0.00 46.19 45.47 1xxi s LEU 151 CO 0.00 0.20 2.05 0.18 -1.32 0.00 0.00 176.35 177.47 1xxi n LEU 152 N 1.72 3.58 -0.38 -0.68 4.77 -1.26 -4.82 117.00 119.93 1xxi n LEU 152 Ca -0.17 0.66 0.30 0.00 -0.03 0.00 0.00 56.01 56.77 1xxi n LEU 152 Cb 0.53 -1.48 0.57 0.00 -2.33 0.00 0.00 43.42 40.71 1xxi n LEU 152 CO 0.23 -0.20 1.20 0.00 -1.33 0.00 0.00 177.39 177.28 1xxi h ALA 153 N 11.89 2.42 0.00 -1.18 0.00 -1.94 1.24 119.26 131.70 1xxi h ALA 153 Ca -0.45 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1xxi h ALA 153 Cb 1.25 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1xxi h ALA 153 CO 0.95 -0.99 -0.35 0.00 0.00 0.00 0.00 179.25 178.86 1xxi h THR 154 N 0.21 0.80 0.03 0.00 1.03 -2.00 -3.11 112.91 109.87 1xxi h THR 154 Ca 0.75 -1.50 -0.13 0.00 -0.01 0.00 0.00 66.41 65.51 1xxi h THR 154 Cb 2.10 1.94 -0.01 0.00 -1.07 0.00 0.00 68.15 71.12 1xxi h THR 154 CO -0.44 0.34 -0.69 0.25 -0.01 0.00 0.00 175.52 174.97 1xxi h LEU 155 N 0.00 0.11 0.00 0.00 7.12 0.11 -3.30 115.31 119.35 1xxi h LEU 155 Ca -0.00 -0.82 0.00 0.00 0.13 0.00 0.00 57.88 57.18 1xxi h LEU 155 Cb 0.92 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1xxi h LEU 155 CO 0.05 1.29 0.00 -2.11 -0.13 0.00 0.00 178.44 177.54 1xxi n ARG 156 N -4.39 0.37 0.01 1.25 1.85 -0.45 -1.48 116.66 113.82 1xxi n ARG 156 Ca -0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.64 1xxi n ARG 156 Cb 0.65 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.45 1xxi n ARG 156 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1xxi n SER 157 N -1.00 0.68 0.11 2.89 3.41 -1.18 -4.03 113.62 114.51 1xxi n SER 157 Ca 0.09 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1xxi n SER 157 Cb 0.04 0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 1xxi n SER 157 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1xxi h ARG 158 N 0.00 0.00 -6.38 4.33 2.47 -1.38 -3.47 114.38 109.96 1xxi h ARG 158 Ca -0.21 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.07 1xxi h ARG 158 Cb 1.66 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.99 1xxi h ARG 158 CO 0.04 0.56 -0.31 0.00 0.56 0.00 0.00 179.97 180.83 1xxi s ARG 160 N -4.24 3.07 0.18 0.00 3.52 -0.65 -4.89 118.95 115.94 1xxi s ARG 160 Ca 0.47 -0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 54.85 1xxi s ARG 160 Cb -0.10 -3.75 -0.08 0.00 -1.56 0.00 0.00 34.95 29.46 1xxi s ARG 160 CO 0.32 -0.61 1.13 -0.51 -0.81 0.00 0.00 175.30 174.82 1xxi s LEU 161 N 1.62 4.48 -0.11 -0.88 1.02 -1.26 -2.06 118.68 121.50 1xxi s LEU 161 Ca 0.04 2.14 -0.02 0.00 0.02 0.00 0.00 54.13 56.31 1xxi s LEU 161 Cb -0.18 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.46 1xxi s LEU 161 CO 0.08 -0.26 0.00 -2.28 0.02 0.00 0.00 176.35 173.91 1xxi s HIS 162 N -0.24 0.87 -0.34 0.29 2.46 -0.56 -4.96 115.29 112.80 1xxi s HIS 162 Ca 0.50 -0.43 -0.24 0.00 0.47 0.00 0.00 55.06 55.37 1xxi s HIS 162 Cb -0.30 -0.92 0.01 0.00 -0.13 0.00 0.00 32.58 31.24 1xxi s HIS 162 CO 0.36 -0.43 0.81 -0.47 -2.47 0.00 0.00 174.74 172.54 1xxi s TYR 163 N 1.91 3.14 -1.14 3.88 5.04 -1.26 -2.74 117.35 126.19 1xxi s TYR 163 Ca 0.03 0.68 -0.18 0.00 -2.44 0.00 0.00 57.07 55.17 1xxi s TYR 163 Cb -0.14 -3.37 0.11 0.00 0.35 0.00 0.00 41.96 38.92 1xxi s TYR 163 CO -0.06 -0.69 1.45 -1.17 -1.34 0.00 0.00 175.55 173.74 1xxi s LEU 164 N 3.10 4.45 -0.07 6.97 2.96 -0.92 -4.98 118.68 130.20 1xxi s LEU 164 Ca 0.33 -2.36 -0.30 0.00 -0.22 0.00 0.00 54.13 51.58 1xxi s LEU 164 Cb -0.13 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 1xxi s LEU 164 CO 0.16 -1.07 1.60 0.00 -1.32 0.00 0.00 176.35 175.72 1xxi s ALA 165 N 3.15 3.62 0.20 5.97 0.00 -1.26 -4.62 121.76 128.83 1xxi s ALA 165 Ca 0.44 0.87 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 1xxi s ALA 165 Cb -0.01 -3.73 -0.15 0.00 0.00 0.00 0.00 23.12 19.23 1xxi s ALA 165 CO -0.02 -1.36 1.08 -2.30 0.00 0.00 0.00 175.76 173.16 1xxi n PRO 166 N 7.05 1.13 -1.46 0.00 -0.02 -1.26 -4.84 135.00 135.61 1xxi n PRO 166 Ca 0.17 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 1xxi n PRO 166 Cb 0.43 -1.84 0.09 0.00 -0.02 0.00 0.00 33.50 32.16 1xxi n PRO 166 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xxi s PRO 167 N -0.71 2.21 0.26 0.52 0.02 -1.26 -4.89 135.00 131.14 1xxi s PRO 167 Ca 0.69 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 1xxi s PRO 167 Cb -0.82 -1.85 -0.15 0.00 0.02 0.00 0.00 34.50 31.70 1xxi s PRO 167 CO 0.54 -1.76 1.02 -2.30 -0.33 0.00 0.00 177.00 174.17 1xxi n PRO 168 N -2.74 1.24 -0.31 5.54 -0.02 -1.26 -4.67 135.00 132.78 1xxi n PRO 168 Ca 0.13 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.14 1xxi n PRO 168 Cb 0.51 -1.82 0.26 0.00 -0.02 0.00 0.00 33.50 32.43 1xxi n PRO 168 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xxi h GLU 169 N 2.29 0.58 -0.74 -0.52 5.08 -1.96 -0.89 114.58 118.43 1xxi h GLU 169 Ca -0.40 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1xxi h GLU 169 Cb 1.35 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1xxi h GLU 169 CO 0.63 0.39 0.49 1.96 -1.00 0.00 0.00 179.01 181.47 1xxi h GLN 170 N 0.60 0.90 -0.05 2.33 4.20 -2.00 -0.38 115.11 120.70 1xxi h GLN 170 Ca 0.51 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.98 1xxi h GLN 170 Cb 0.79 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.38 1xxi h GLN 170 CO -0.40 0.59 -0.69 1.88 -0.67 0.00 0.00 178.83 179.55 1xxi h TYR 171 N 0.92 0.79 -0.43 2.96 0.99 -1.53 -2.88 116.97 117.79 1xxi h TYR 171 Ca 0.29 -0.39 -0.05 0.00 2.00 0.00 0.00 58.73 60.57 1xxi h TYR 171 Cb 0.02 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 37.62 1xxi h TYR 171 CO -0.00 1.20 0.05 0.00 -0.00 0.00 0.00 178.16 179.42 1xxi h ALA 172 N 0.41 1.29 -0.02 3.88 0.00 -0.87 -1.51 119.26 122.44 1xxi h ALA 172 Ca -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1xxi h ALA 172 Cb 1.35 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xxi h ALA 172 CO 0.14 0.49 -0.02 0.28 0.00 0.00 0.00 179.25 180.13 1xxi h VAL 173 N 0.64 1.39 -0.36 0.00 2.07 -1.12 -1.12 116.25 117.75 1xxi h VAL 173 Ca 0.14 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.52 1xxi h VAL 173 Cb 0.32 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 1xxi h VAL 173 CO 0.01 0.32 0.01 0.74 0.02 0.00 0.00 177.57 178.66 1xxi h THR 174 N -0.43 0.74 -0.71 2.57 2.02 -1.40 0.37 112.91 116.07 1xxi h THR 174 Ca 0.00 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1xxi h THR 174 Cb 0.53 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 1xxi h THR 174 CO 0.01 0.02 0.39 -0.25 0.37 0.00 0.00 175.52 176.05 1xxi h TRP 175 N 0.11 0.70 -0.44 3.16 2.91 -1.26 -2.65 115.95 118.48 1xxi h TRP 175 Ca 0.18 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 1xxi h TRP 175 Cb 0.24 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 1xxi h TRP 175 CO -0.25 0.30 0.08 -0.07 -1.03 0.00 0.00 178.44 177.47 1xxi h LEU 176 N 0.68 0.69 -1.75 0.65 3.38 0.38 -2.67 115.31 116.68 1xxi h LEU 176 Ca 0.34 -0.26 0.18 0.00 0.09 0.00 0.00 57.88 58.23 1xxi h LEU 176 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1xxi h LEU 176 CO -0.22 0.77 0.66 0.77 0.09 0.00 0.00 178.44 180.51 1xxi h SER 177 N 0.58 0.00 0.02 -0.43 4.64 0.01 0.54 113.55 118.92 1xxi h SER 177 Ca 0.13 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1xxi h SER 177 Cb 0.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1xxi h SER 177 CO 0.01 0.00 -0.21 0.03 -0.87 0.00 0.00 176.83 175.78 1xxi h ARG 178 N 0.00 0.11 0.00 4.77 2.47 -1.46 -3.32 114.38 116.95 1xxi h ARG 178 Ca 0.29 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1xxi h ARG 178 Cb 1.61 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.98 1xxi h ARG 178 CO -0.00 0.98 0.00 0.93 0.56 0.00 0.00 179.97 182.44 1xxi h GLU 179 N -0.70 0.00 -1.97 0.04 4.39 -0.91 -3.43 114.58 112.00 1xxi h GLU 179 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1xxi h GLU 179 Cb 1.08 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.51 1xxi h GLU 179 CO 0.04 0.00 0.12 0.14 -1.16 0.00 0.00 179.01 178.15 1xxi s VAL 180 N -3.58 0.00 -0.33 3.13 -7.23 -0.99 -5.12 120.40 106.28 1xxi s VAL 180 Ca 0.01 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.01 1xxi s VAL 180 Cb 0.09 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 1xxi s VAL 180 CO 0.41 0.00 0.45 0.42 -0.31 0.00 0.00 175.10 176.07 1xxi s THR 181 N 0.70 5.09 0.16 5.32 -4.23 -1.26 -4.31 115.64 117.11 1xxi s THR 181 Ca -0.02 0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 60.61 1xxi s THR 181 Cb -0.05 -3.88 0.04 0.00 1.34 0.00 0.00 72.50 69.95 1xxi s THR 181 CO -0.05 -0.11 0.49 -0.04 -0.54 0.00 0.00 174.62 174.37 1xxi s MET 182 N 2.23 1.24 0.42 3.99 -1.94 -1.26 -5.14 119.30 118.85 1xxi s MET 182 Ca 0.16 -0.72 -0.26 0.00 -1.71 0.00 0.00 55.69 53.16 1xxi s MET 182 Cb -0.16 0.52 -0.10 0.00 2.01 0.00 0.00 34.83 37.10 1xxi s MET 182 CO 0.12 -0.52 1.42 -1.13 -0.01 0.00 0.00 175.02 174.90 1xxi n SER 183 N -0.31 3.30 -0.03 3.03 3.41 -1.26 -4.78 113.62 116.99 1xxi n SER 183 Ca -0.14 1.15 0.07 0.00 -0.26 0.00 0.00 58.87 59.69 1xxi n SER 183 Cb 0.63 -1.59 0.45 0.00 -0.26 0.00 0.00 64.21 63.45 1xxi n SER 183 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1xxi h GLN 184 N 2.45 0.50 -0.93 4.33 4.20 -2.00 0.12 115.11 123.78 1xxi h GLN 184 Ca -0.50 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.23 1xxi h GLN 184 Cb 1.27 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.88 1xxi h GLN 184 CO 0.62 0.33 0.61 -0.44 -0.67 0.00 0.00 178.83 179.27 1xxi h ASP 185 N 0.51 0.97 0.20 1.46 3.32 -1.96 0.19 116.42 121.12 1xxi h ASP 185 Ca 0.19 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1xxi h ASP 185 Cb 0.14 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1xxi h ASP 185 CO -0.05 0.65 -0.10 0.00 -1.72 0.00 0.00 179.24 178.02 1xxi h ALA 186 N 1.48 -0.27 -0.95 3.45 0.00 -1.54 -2.95 119.26 118.47 1xxi h ALA 186 Ca 0.38 -0.20 0.29 0.00 0.00 0.00 0.00 54.91 55.39 1xxi h ALA 186 Cb 0.10 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 17.83 1xxi h ALA 186 CO -0.13 -0.34 0.27 -0.07 0.00 0.00 0.00 179.25 178.99 1xxi h LEU 187 N -0.91 -0.02 -0.65 0.00 3.38 -0.12 1.05 115.31 118.05 1xxi h LEU 187 Ca -0.03 0.23 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1xxi h LEU 187 Cb 0.50 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1xxi h LEU 187 CO 0.05 -0.27 -0.30 0.25 0.09 0.00 0.00 178.44 178.26 1xxi h LEU 188 N 0.12 0.76 -0.14 1.67 5.85 -0.73 -2.23 115.31 120.61 1xxi h LEU 188 Ca 0.65 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1xxi h LEU 188 Cb 1.45 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1xxi h LEU 188 CO -0.75 1.01 0.07 0.00 -0.34 0.00 0.00 178.44 178.42 1xxi h ALA 189 N 1.04 0.16 -0.54 1.25 0.00 0.13 0.63 119.26 121.93 1xxi h ALA 189 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1xxi h ALA 189 Cb 0.82 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1xxi h ALA 189 CO 0.07 -0.38 0.21 0.00 0.00 0.00 0.00 179.25 179.16 1xxi h ALA 190 N 1.07 0.68 0.26 0.00 0.00 -1.14 0.21 119.26 120.34 1xxi h ALA 190 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xxi h ALA 190 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xxi h ALA 190 CO -0.04 -0.18 -0.24 1.25 0.00 0.00 0.00 179.25 180.04 1xxi h LEU 191 N 0.41 -0.65 -1.65 0.00 5.85 -0.81 -1.80 115.31 116.66 1xxi h LEU 191 Ca 0.26 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1xxi h LEU 191 Cb 0.27 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1xxi h LEU 191 CO -0.25 -0.36 -0.06 0.03 -0.34 0.00 0.00 178.44 177.46 1xxi h ARG 192 N -0.53 0.14 -0.99 1.25 3.08 -0.30 -0.41 114.38 116.62 1xxi h ARG 192 Ca -0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1xxi h ARG 192 Cb 0.48 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1xxi h ARG 192 CO -0.04 0.21 0.09 1.28 -1.07 0.00 0.00 179.97 180.44 1xxi n LEU 193 N -4.38 3.27 -0.31 3.04 4.77 0.67 -2.64 117.00 121.41 1xxi n LEU 193 Ca -0.01 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1xxi n LEU 193 Cb 0.19 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1xxi n LEU 193 CO 0.36 0.54 0.21 -1.20 -1.33 0.00 0.00 177.39 175.96 1xxi n SER 194 N 0.20 0.00 -1.62 -1.43 7.64 -0.28 -4.93 113.62 113.20 1xxi n SER 194 Ca 0.09 -1.33 -0.20 0.00 1.01 0.00 0.00 58.87 58.44 1xxi n SER 194 Cb 0.64 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 1xxi n SER 194 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xxi n ALA 195 N 0.00 -0.34 0.00 -0.43 0.00 -1.08 -1.23 120.51 117.43 1xxi n ALA 195 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1xxi n ALA 195 Cb 0.57 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1xxi n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xxi n GLY 196 N -0.60 1.17 3.64 0.00 0.00 -0.54 -4.91 105.19 103.96 1xxi n GLY 196 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1xxi n GLY 196 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xxi s SER 197 N -1.68 6.19 0.28 1.61 0.15 -0.36 -4.55 113.70 115.33 1xxi s SER 197 Ca 0.00 2.14 0.13 0.00 0.70 0.00 0.00 55.95 58.92 1xxi s SER 197 Cb 0.00 -2.53 0.31 0.00 -1.71 0.00 0.00 66.02 62.09 1xxi s SER 197 CO 0.00 -1.33 1.56 -0.65 1.20 0.00 0.00 173.24 174.02 1xxi h PRO 198 N 11.68 0.00 -0.06 5.44 0.11 -1.86 -2.00 132.00 145.31 1xxi h PRO 198 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1xxi h PRO 198 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xxi h PRO 198 CO 0.96 0.60 -0.06 0.78 -0.21 0.00 0.00 178.00 180.07 1xxi h GLY 199 N 2.35 0.16 1.05 -0.55 0.00 -1.00 -0.43 103.07 104.65 1xxi h GLY 199 Ca -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1xxi h GLY 199 CO 0.08 0.15 0.05 0.00 0.00 0.00 0.00 176.54 176.82 1xxi h ALA 200 N 0.54 0.79 0.06 3.60 0.00 -1.58 -1.76 119.26 120.91 1xxi h ALA 200 Ca 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1xxi h ALA 200 Cb 0.57 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1xxi h ALA 200 CO 0.01 0.58 -0.40 0.00 0.00 0.00 0.00 179.25 179.45 1xxi h ALA 201 N 1.00 -0.66 -0.66 0.00 0.00 -1.28 0.29 119.26 117.95 1xxi h ALA 201 Ca 0.17 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1xxi h ALA 201 Cb 0.48 0.68 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 1xxi h ALA 201 CO 0.02 -0.94 -0.04 1.25 0.00 0.00 0.00 179.25 179.54 1xxi h LEU 202 N -0.59 -0.38 -2.25 0.00 7.12 -0.75 0.60 115.31 119.06 1xxi h LEU 202 Ca 0.04 0.17 -0.00 0.00 0.13 0.00 0.00 57.88 58.22 1xxi h LEU 202 Cb 0.65 0.32 -0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1xxi h LEU 202 CO -0.27 -0.16 -0.02 0.00 -0.13 0.00 0.00 178.44 177.86 1xxi h ALA 203 N 1.62 1.07 -0.01 1.25 0.00 -0.30 -2.15 119.26 120.74 1xxi h ALA 203 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1xxi h ALA 203 Cb 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xxi h ALA 203 CO -0.60 0.03 -0.05 -0.07 0.00 0.00 0.00 179.25 178.56 1xxi h LEU 204 N 0.00 0.01 0.14 0.00 3.38 0.22 -3.13 115.31 115.93 1xxi h LEU 204 Ca -0.00 -0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 1xxi h LEU 204 Cb 0.24 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xxi h LEU 204 CO 0.00 0.06 -1.88 -0.26 0.09 0.00 0.00 178.44 176.45 1xxi h PHE 205 N 0.01 0.54 -0.77 1.13 0.04 -1.43 -2.96 116.94 113.49 1xxi h PHE 205 Ca 0.00 -0.39 0.14 0.00 2.80 0.00 0.00 57.97 60.52 1xxi h PHE 205 Cb 0.10 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.18 1xxi h PHE 205 CO 0.00 1.74 0.51 1.96 -0.60 0.00 0.00 178.31 181.92 1xxi h GLN 206 N 0.04 0.46 0.00 1.51 7.50 -1.49 -3.35 115.11 119.78 1xxi h GLN 206 Ca -0.39 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.73 1xxi h GLN 206 Cb 2.02 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 29.45 1xxi h GLN 206 CO 0.11 0.31 0.00 0.41 -1.50 0.00 0.00 178.83 178.15 1xxi n GLY 207 N -1.50 -1.17 0.06 3.46 0.00 -1.26 -4.84 105.19 99.94 1xxi n GLY 207 Ca 0.14 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.82 1xxi n GLY 207 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xxi n ASP 208 N 0.00 2.02 -0.35 1.61 5.75 -1.26 -4.84 116.55 119.48 1xxi n ASP 208 Ca 0.00 -2.50 -0.11 0.00 -0.01 0.00 0.00 54.79 52.16 1xxi n ASP 208 Cb 0.00 -0.22 -0.09 0.00 -1.03 0.00 0.00 41.12 39.77 1xxi n ASP 208 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1xxi h ASN 209 N 0.00 -2.07 -0.95 -1.12 2.35 -1.74 0.12 115.58 112.18 1xxi h ASN 209 Ca 0.00 0.31 0.16 0.00 -0.55 0.00 0.00 56.30 56.22 1xxi h ASN 209 Cb 0.80 0.90 -0.10 0.00 0.05 0.00 0.00 38.32 39.98 1xxi h ASN 209 CO 0.00 -0.27 0.55 -0.25 -1.65 0.00 0.00 177.43 175.80 1xxi h TRP 210 N -0.10 0.96 -0.63 1.19 2.91 -1.72 0.73 115.95 119.29 1xxi h TRP 210 Ca 0.15 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.12 1xxi h TRP 210 Cb 0.46 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 1xxi h TRP 210 CO -0.95 0.24 0.08 1.96 -1.03 0.00 0.00 178.44 178.74 1xxi h GLN 211 N 0.74 1.06 0.00 2.65 1.08 -1.20 0.33 115.11 119.77 1xxi h GLN 211 Ca 0.53 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1xxi h GLN 211 Cb 0.75 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1xxi h GLN 211 CO -0.36 0.99 -0.12 0.00 -0.95 0.00 0.00 178.83 178.39 1xxi h ALA 212 N 1.02 1.66 0.05 3.87 0.00 0.19 -0.54 119.26 125.52 1xxi h ALA 212 Ca 0.19 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1xxi h ALA 212 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xxi h ALA 212 CO 0.02 0.15 -1.05 -0.09 0.00 0.00 0.00 179.25 178.27 1xxi h ARG 213 N 0.00 0.16 -0.09 0.00 2.43 0.14 -3.16 114.38 113.86 1xxi h ARG 213 Ca -0.00 -0.24 -0.10 0.00 -0.81 0.00 0.00 59.98 58.83 1xxi h ARG 213 Cb 0.23 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1xxi h ARG 213 CO 0.02 1.07 -0.39 0.93 -1.51 0.00 0.00 179.97 180.08 1xxi h GLU 214 N 0.06 0.19 -0.36 0.20 5.08 0.57 -2.52 114.58 117.79 1xxi h GLU 214 Ca -0.07 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1xxi h GLU 214 Cb 1.77 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.99 1xxi h GLU 214 CO 0.16 0.55 -0.01 1.15 -1.00 0.00 0.00 179.01 179.86 1xxi h THR 215 N 0.16 1.21 -0.41 1.13 2.02 -1.28 -2.68 112.91 113.06 1xxi h THR 215 Ca 0.02 -0.85 -0.16 0.00 0.77 0.00 0.00 66.41 66.19 1xxi h THR 215 Cb 0.77 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1xxi h THR 215 CO 0.06 0.29 -0.36 0.25 0.37 0.00 0.00 175.52 176.13 1xxi h LEU 216 N 0.54 1.02 -0.75 2.58 6.46 -1.44 -2.36 115.31 121.37 1xxi h LEU 216 Ca 0.11 -0.45 -0.05 0.00 -0.12 0.00 0.00 57.88 57.37 1xxi h LEU 216 Cb 0.37 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1xxi h LEU 216 CO 0.01 1.26 -0.25 0.00 -0.62 0.00 0.00 178.44 178.84 1xxi h GLN 218 N 0.00 0.53 -0.42 0.00 4.20 -1.35 -1.91 115.11 116.16 1xxi h GLN 218 Ca -0.00 -0.65 -0.04 0.00 0.06 0.00 0.00 58.65 58.02 1xxi h GLN 218 Cb 0.91 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1xxi h GLN 218 CO 0.03 1.26 0.12 0.00 -0.67 0.00 0.00 178.83 179.58 1xxi h ALA 219 N 0.29 0.56 -0.81 3.87 0.00 -1.36 -2.55 119.26 119.26 1xxi h ALA 219 Ca -0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1xxi h ALA 219 Cb 1.64 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1xxi h ALA 219 CO 0.18 0.22 0.38 1.25 0.00 0.00 0.00 179.25 181.28 1xxi h LEU 220 N 0.55 1.05 -1.69 0.00 6.46 -1.32 -1.75 115.31 118.61 1xxi h LEU 220 Ca 0.14 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1xxi h LEU 220 Cb 0.28 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1xxi h LEU 220 CO -0.00 0.89 -0.12 0.00 -0.62 0.00 0.00 178.44 178.58 1xxi h ALA 221 N 1.27 1.14 0.05 1.25 0.00 -1.04 0.13 119.26 122.05 1xxi h ALA 221 Ca 0.28 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1xxi h ALA 221 Cb 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xxi h ALA 221 CO -0.03 0.16 -0.29 -0.92 0.00 0.00 0.00 179.25 178.16 1xxi h TYR 222 N 0.00 0.18 -0.10 0.00 3.20 -0.97 -3.39 116.97 115.89 1xxi h TYR 222 Ca -0.00 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 1xxi h TYR 222 Cb 0.46 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1xxi h TYR 222 CO 0.00 1.11 0.02 0.66 -1.64 0.00 0.00 178.16 178.31 1xxi h SER 223 N -0.79 0.16 -0.72 -2.11 4.64 -1.05 -2.82 113.55 110.84 1xxi h SER 223 Ca -0.05 -0.26 0.12 0.00 -0.47 0.00 0.00 61.79 61.13 1xxi h SER 223 Cb 1.22 -0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 63.13 1xxi h SER 223 CO 0.05 0.37 -0.34 0.58 -0.87 0.00 0.00 176.83 176.61 1xxi h VAL 224 N -0.07 0.12 0.00 0.95 2.07 -1.17 0.79 116.25 118.95 1xxi h VAL 224 Ca 0.03 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.38 1xxi h VAL 224 Cb 0.28 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1xxi h VAL 224 CO 0.00 0.00 -0.83 1.55 0.02 0.00 0.00 177.57 178.31 1xxi h PRO 225 N -0.11 0.00 0.00 1.57 0.13 -1.75 -3.34 132.00 128.50 1xxi h PRO 225 Ca 0.27 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.20 1xxi h PRO 225 Cb 0.57 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 1xxi h PRO 225 CO -0.78 0.83 -1.14 0.66 -0.23 0.00 0.00 178.00 177.34 1xxi h SER 226 N 0.00 0.00 0.00 1.44 4.64 -0.96 -3.48 113.55 115.19 1xxi h SER 226 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xxi h SER 226 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1xxi h SER 226 CO 0.11 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 1xxi n GLY 227 N 1.38 2.96 3.57 -0.77 0.00 0.26 -4.97 105.19 107.62 1xxi n GLY 227 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1xxi n GLY 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xxi s ASP 228 N 0.51 5.17 0.35 1.61 -1.08 -1.25 -4.70 116.67 117.28 1xxi s ASP 228 Ca 0.00 -1.14 0.20 0.00 -0.52 0.00 0.00 52.55 51.09 1xxi s ASP 228 Cb 0.00 -2.57 0.19 0.00 -1.46 0.00 0.00 42.92 39.08 1xxi s ASP 228 CO 0.00 -2.82 1.46 -0.50 0.52 0.00 0.00 175.17 173.84 1xxi h TRP 229 N 10.53 0.00 0.00 -5.34 4.06 -1.91 -3.19 115.95 120.11 1xxi h TRP 229 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 1xxi h TRP 229 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1xxi h TRP 229 CO 1.22 0.19 0.00 0.98 -3.56 0.00 0.00 178.44 177.27 1xxi n TYR 230 N -3.09 0.00 0.35 0.49 9.36 -1.26 -1.56 117.16 121.45 1xxi n TYR 230 Ca 0.02 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.38 1xxi n TYR 230 Cb 0.61 -0.31 0.38 0.00 -0.63 0.00 0.00 39.34 39.40 1xxi n TYR 230 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1xxi h SER 231 N 0.00 0.00 1.25 2.98 4.64 -1.95 -2.94 113.55 117.53 1xxi h SER 231 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xxi h SER 231 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1xxi h SER 231 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 1xxi h LEU 232 N 0.00 0.00 -0.94 5.97 3.38 -1.55 -3.33 115.31 118.85 1xxi h LEU 232 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 1xxi h LEU 232 Cb 0.75 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.34 1xxi h LEU 232 CO 0.00 0.00 0.24 0.25 0.09 0.00 0.00 178.44 179.02 1xxi h LEU 233 N 0.00 -0.06 -0.64 1.67 5.85 -1.71 0.42 115.31 120.84 1xxi h LEU 233 Ca 0.00 0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.84 1xxi h LEU 233 Cb 0.62 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1xxi h LEU 233 CO 0.00 -0.26 -0.13 0.00 -0.34 0.00 0.00 178.44 177.72 1xxi h ALA 234 N 1.88 0.84 -0.21 1.25 0.00 -1.84 0.77 119.26 121.95 1xxi h ALA 234 Ca 0.62 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1xxi h ALA 234 Cb 1.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xxi h ALA 234 CO -0.75 0.65 -0.44 0.00 0.00 0.00 0.00 179.25 178.72 1xxi h ALA 235 N 1.01 0.86 0.04 0.00 0.00 -0.47 -3.36 119.26 117.34 1xxi h ALA 235 Ca 0.13 -0.45 -0.34 0.00 0.00 0.00 0.00 54.91 54.24 1xxi h ALA 235 Cb 0.67 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1xxi h ALA 235 CO 0.05 0.65 -1.93 1.28 0.00 0.00 0.00 179.25 179.29 1xxi n LEU 236 N -4.01 2.31 -4.55 0.00 4.77 -0.13 -4.83 117.00 110.55 1xxi n LEU 236 Ca -0.02 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 55.91 1xxi n LEU 236 Cb 0.53 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 1xxi n LEU 236 CO 0.45 0.62 1.71 0.21 -1.33 0.00 0.00 177.39 179.05 1xxi s ASN 237 N -6.99 4.42 -0.06 -1.43 3.04 0.26 -4.18 114.94 110.00 1xxi s ASN 237 Ca -0.30 0.60 -0.30 0.00 0.04 0.00 0.00 52.86 52.90 1xxi s ASN 237 Cb 0.08 -2.52 0.11 0.00 -1.54 0.00 0.00 41.25 37.38 1xxi s ASN 237 CO 0.63 -3.09 0.97 -2.28 -3.04 0.00 0.00 177.10 170.29 1xxi s HIS 238 N 12.43 -0.30 0.49 0.43 2.46 -1.26 -4.90 115.29 124.65 1xxi s HIS 238 Ca 0.91 0.20 0.19 0.00 0.47 0.00 0.00 55.06 56.83 1xxi s HIS 238 Cb -0.15 0.53 1.23 0.00 -0.13 0.00 0.00 32.58 34.06 1xxi s HIS 238 CO 0.19 -0.45 2.03 1.49 -2.47 0.00 0.00 174.74 175.52 1xxi h GLU 239 N 2.03 0.15 -0.83 2.88 4.22 -2.01 0.28 114.58 121.31 1xxi h GLU 239 Ca -0.19 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.24 1xxi h GLU 239 Cb 1.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1xxi h GLU 239 CO 0.29 0.10 0.00 1.04 -2.18 0.00 0.00 179.01 178.26 1xxi n GLN 240 N -4.45 0.98 -0.24 1.92 1.13 -1.26 -4.45 117.38 111.01 1xxi n GLN 240 Ca 0.07 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.14 1xxi n GLN 240 Cb 0.40 -1.41 0.09 0.00 0.11 0.00 0.00 30.24 29.43 1xxi n GLN 240 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xxi h ALA 241 N 2.13 0.53 -0.45 -1.58 0.00 -0.59 -1.44 119.26 117.87 1xxi h ALA 241 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1xxi h ALA 241 Cb 0.41 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1xxi h ALA 241 CO 0.00 -0.42 0.17 -1.00 0.00 0.00 0.00 179.25 178.00 1xxi h PRO 242 N 0.02 0.67 -0.13 0.00 0.13 -1.85 0.19 132.00 131.04 1xxi h PRO 242 Ca 0.35 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1xxi h PRO 242 Cb 0.56 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1xxi h PRO 242 CO -0.70 0.62 -0.04 0.00 -0.23 0.00 0.00 178.00 177.65 1xxi h ALA 243 N 1.02 1.69 0.03 -0.56 0.00 -1.77 -1.99 119.26 117.67 1xxi h ALA 243 Ca 0.15 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.67 1xxi h ALA 243 Cb 0.20 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xxi h ALA 243 CO -0.01 0.23 -1.08 0.00 0.00 0.00 0.00 179.25 178.39 1xxi h ARG 244 N 0.19 0.69 -0.55 0.00 3.08 -0.62 -2.75 114.38 114.41 1xxi h ARG 244 Ca 0.04 -0.77 -0.03 0.00 0.07 0.00 0.00 59.98 59.29 1xxi h ARG 244 Cb 0.20 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1xxi h ARG 244 CO 0.01 1.34 0.23 -0.07 -1.07 0.00 0.00 179.97 180.41 1xxi h LEU 245 N 0.36 0.71 -0.26 3.04 -0.00 -0.36 -1.23 115.31 117.57 1xxi h LEU 245 Ca -0.14 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.63 1xxi h LEU 245 Cb 1.74 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 42.21 1xxi h LEU 245 CO 0.21 0.64 0.05 -0.74 -0.00 0.00 0.00 178.44 178.60 1xxi h HIS 246 N 0.78 0.46 -0.16 1.13 2.76 -1.40 -1.77 115.15 116.95 1xxi h HIS 246 Ca 0.19 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 1xxi h HIS 246 Cb 0.14 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.91 1xxi h HIS 246 CO 0.01 0.54 -0.22 -1.49 -1.30 0.00 0.00 177.93 175.46 1xxi h TRP 247 N 0.25 -0.59 -0.21 5.26 6.55 -0.95 0.19 115.95 126.44 1xxi h TRP 247 Ca 0.08 0.03 0.06 0.00 0.95 0.00 0.00 58.89 60.01 1xxi h TRP 247 Cb 0.32 0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.90 1xxi h TRP 247 CO 0.02 -0.30 0.20 1.25 -1.05 0.00 0.00 178.44 178.55 1xxi h LEU 248 N -0.27 0.00 0.01 -4.49 5.85 -1.14 -1.39 115.31 113.88 1xxi h LEU 248 Ca 0.11 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 1xxi h LEU 248 Cb 0.43 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.48 1xxi h LEU 248 CO -0.32 0.00 -0.74 0.00 -0.34 0.00 0.00 178.44 177.04 1xxi h ALA 249 N 1.80 0.08 -0.43 1.25 0.00 0.23 -2.78 119.26 119.41 1xxi h ALA 249 Ca 0.10 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1xxi h ALA 249 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1xxi h ALA 249 CO -0.00 0.45 0.29 1.79 0.00 0.00 0.00 179.25 181.78 1xxi h THR 250 N 0.03 1.09 -0.27 0.00 1.35 -0.01 0.23 112.91 115.34 1xxi h THR 250 Ca -0.09 -0.19 -0.15 0.00 -0.55 0.00 0.00 66.41 65.43 1xxi h THR 250 Cb 1.44 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1xxi h THR 250 CO 0.15 0.10 -0.43 -0.07 -0.25 0.00 0.00 175.52 175.02 1xxi h LEU 251 N 0.56 0.72 -0.47 3.87 3.38 -1.55 -1.89 115.31 119.93 1xxi h LEU 251 Ca 0.16 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1xxi h LEU 251 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xxi h LEU 251 CO -0.04 1.05 -0.06 -0.07 0.09 0.00 0.00 178.44 179.41 1xxi h LEU 252 N 0.54 0.86 0.27 1.67 4.07 -0.49 -2.50 115.31 119.74 1xxi h LEU 252 Ca 0.04 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 1xxi h LEU 252 Cb 0.97 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1xxi h LEU 252 CO 0.09 1.00 -0.24 -0.03 -1.08 0.00 0.00 178.44 178.17 1xxi h MET 253 N 0.71 -0.49 -0.95 1.13 4.05 -0.53 -1.88 114.93 116.97 1xxi h MET 253 Ca 0.12 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.76 1xxi h MET 253 Cb 0.59 0.11 -0.18 0.00 -0.80 0.00 0.00 31.60 31.32 1xxi h MET 253 CO 0.04 -0.32 -0.25 -0.25 0.23 0.00 0.00 176.91 176.35 1xxi n ASP 254 N -3.80 -0.37 -0.35 1.39 8.00 -0.72 0.19 116.55 120.88 1xxi n ASP 254 Ca -0.06 1.64 0.00 0.00 0.71 0.00 0.00 54.79 57.09 1xxi n ASP 254 Cb 0.23 -0.48 0.14 0.00 -0.02 0.00 0.00 41.12 40.98 1xxi n ASP 254 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xxi h ALA 255 N 1.84 1.27 -0.29 2.24 0.00 -1.23 -1.06 119.26 122.04 1xxi h ALA 255 Ca 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1xxi h ALA 255 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xxi h ALA 255 CO -0.98 0.45 0.16 -0.07 0.00 0.00 0.00 179.25 178.81 1xxi h LEU 256 N 1.16 0.36 -1.12 0.00 3.38 0.29 -2.76 115.31 116.62 1xxi h LEU 256 Ca 0.39 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.30 1xxi h LEU 256 Cb 0.06 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1xxi h LEU 256 CO -0.14 0.35 0.59 0.11 0.09 0.00 0.00 178.44 179.44 1xxi h LYS 257 N 0.35 1.12 0.00 1.13 1.57 -0.17 -2.09 116.57 118.48 1xxi h LYS 257 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1xxi h LYS 257 Cb 0.07 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1xxi h LYS 257 CO -0.02 0.74 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.37 1xxi h ARG 258 N 1.15 0.00 0.00 3.15 2.43 -0.95 -0.37 114.38 119.79 1xxi h ARG 258 Ca 0.35 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1xxi h ARG 258 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1xxi h ARG 258 CO -0.10 0.14 -0.22 0.45 -1.51 0.00 0.00 179.97 178.73 1xxi h HIS 259 N 0.00 0.00 -0.52 2.20 3.86 -1.18 -1.22 115.15 118.30 1xxi h HIS 259 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xxi h HIS 259 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1xxi h HIS 259 CO 0.00 0.22 0.00 0.72 0.86 0.00 0.00 177.93 179.73 1xxi n HIS 260 N -3.73 0.68 -2.92 2.45 8.25 -0.23 -4.95 115.22 114.76 1xxi n HIS 260 Ca -0.01 -0.34 -0.15 0.00 -0.26 0.00 0.00 57.72 56.96 1xxi n HIS 260 Cb 0.33 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.48 1xxi n HIS 260 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xxi n GLY 261 N 1.54 -0.07 3.67 -1.41 0.00 -0.46 -4.97 105.19 103.49 1xxi n GLY 261 Ca 0.21 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1xxi n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxi s ALA 262 N -3.05 3.53 0.14 4.61 0.00 -0.68 -4.96 121.76 121.35 1xxi s ALA 262 Ca 0.27 0.23 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 1xxi s ALA 262 Cb -0.12 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1xxi s ALA 262 CO 0.33 -0.78 1.73 0.00 0.00 0.00 0.00 175.76 177.05 1xxi h ALA 263 N 7.28 0.26 -2.55 0.00 0.00 -1.93 -3.42 119.26 118.89 1xxi h ALA 263 Ca -0.26 0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 1xxi h ALA 263 Cb 1.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xxi h ALA 263 CO 0.89 -0.37 0.52 -0.65 0.00 0.00 0.00 179.25 179.64 1xxi s GLN 264 N -6.18 4.50 -0.03 0.00 -1.52 -1.26 -5.05 119.66 110.12 1xxi s GLN 264 Ca -0.13 1.74 0.01 0.00 -1.95 0.00 0.00 55.36 55.02 1xxi s GLN 264 Cb 0.10 -3.32 0.02 0.00 -0.22 0.00 0.00 33.01 29.59 1xxi s GLN 264 CO 0.69 -0.12 -0.02 0.08 -0.25 0.00 0.00 175.29 175.67 1xxi s VAL 265 N 0.53 0.34 0.12 1.09 1.01 -1.26 -4.98 120.40 117.25 1xxi s VAL 265 Ca 0.55 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1xxi s VAL 265 Cb -0.29 -0.39 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 1xxi s VAL 265 CO 0.32 0.17 1.40 0.74 0.00 0.00 0.00 175.10 177.73 1xxi h THR 266 N 6.07 1.28 -2.02 3.92 2.02 -1.96 -3.35 112.91 118.86 1xxi h THR 266 Ca -0.40 -1.71 -0.78 0.00 0.77 0.00 0.00 66.41 64.30 1xxi h THR 266 Cb 1.15 1.63 -0.21 0.00 -1.74 0.00 0.00 68.15 68.98 1xxi h THR 266 CO 0.48 0.56 1.50 0.59 0.37 0.00 0.00 175.52 179.02 1xxi n ASN 267 N -4.04 6.10 0.26 4.18 3.02 -1.26 -4.59 115.26 118.93 1xxi n ASN 267 Ca -0.04 -3.28 0.15 0.00 -0.03 0.00 0.00 54.58 51.37 1xxi n ASN 267 Cb 0.62 -1.36 0.61 0.00 -0.61 0.00 0.00 39.78 39.04 1xxi n ASN 267 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1xxi h VAL 268 N 3.37 0.22 -0.98 2.41 -1.51 -1.87 -2.88 116.25 115.01 1xxi h VAL 268 Ca 0.36 -0.72 0.16 0.00 -1.23 0.00 0.00 66.70 65.27 1xxi h VAL 268 Cb 0.56 1.58 -0.09 0.00 -2.13 0.00 0.00 31.29 31.22 1xxi h VAL 268 CO 1.47 0.08 0.62 -0.78 -1.23 0.00 0.00 177.57 177.72 1xxi h ASP 269 N 0.00 0.81 -1.72 4.19 3.58 -1.83 -3.32 116.42 118.13 1xxi h ASP 269 Ca -0.00 0.07 -0.45 0.00 0.42 0.00 0.00 57.03 57.07 1xxi h ASP 269 Cb 0.58 -0.09 -0.37 0.00 1.72 0.00 0.00 39.33 41.17 1xxi h ASP 269 CO 0.01 0.37 -1.10 1.33 -2.88 0.00 0.00 179.24 176.97 1xxi n VAL 270 N -4.66 -0.14 -0.18 2.25 0.24 -1.09 -4.95 118.33 109.80 1xxi n VAL 270 Ca 0.20 -4.16 0.29 0.00 -2.04 0.00 0.00 64.34 58.64 1xxi n VAL 270 Cb 0.48 -0.01 0.72 0.00 -1.47 0.00 0.00 33.84 33.55 1xxi n VAL 270 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1xxi h PRO 271 N 3.00 0.00 -0.21 7.34 0.13 -1.66 0.53 132.00 141.13 1xxi h PRO 271 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1xxi h PRO 271 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1xxi h PRO 271 CO 0.45 0.00 -0.01 0.78 -0.23 0.00 0.00 178.00 178.99 1xxi h GLY 272 N 0.00 0.33 0.40 1.56 0.00 -1.92 -2.01 103.07 101.43 1xxi h GLY 272 Ca 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1xxi h GLY 272 CO -0.00 0.16 -0.19 -2.00 0.00 0.00 0.00 176.54 174.50 1xxi h LEU 273 N 0.30 -0.46 -1.94 3.11 5.85 -0.32 -2.69 115.31 119.17 1xxi h LEU 273 Ca 0.07 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.03 1xxi h LEU 273 Cb 0.22 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1xxi h LEU 273 CO 0.01 -0.12 0.62 -0.37 -0.34 0.00 0.00 178.44 178.24 1xxi h VAL 274 N -0.97 0.46 0.26 1.05 -1.51 -1.50 -0.40 116.25 113.64 1xxi h VAL 274 Ca -0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.40 1xxi h VAL 274 Cb 0.42 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1xxi h VAL 274 CO 0.09 0.00 -0.13 0.00 -1.23 0.00 0.00 177.57 176.31 1xxi h ALA 275 N 1.48 -0.69 -0.70 5.19 0.00 -1.33 -1.89 119.26 121.31 1xxi h ALA 275 Ca 0.36 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.34 1xxi h ALA 275 Cb 1.59 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 19.40 1xxi h ALA 275 CO -0.00 -0.66 0.07 1.49 0.00 0.00 0.00 179.25 180.15 1xxi h GLU 276 N -0.53 0.17 -0.04 0.00 4.81 -0.92 0.22 114.58 118.29 1xxi h GLU 276 Ca -0.04 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1xxi h GLU 276 Cb 0.27 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 1xxi h GLU 276 CO 0.06 0.11 -0.51 1.25 -0.73 0.00 0.00 179.01 179.19 1xxi h LEU 277 N 0.17 -1.59 -2.11 1.64 6.46 -1.17 0.39 115.31 119.11 1xxi h LEU 277 Ca 0.38 0.18 0.03 0.00 -0.12 0.00 0.00 57.88 58.36 1xxi h LEU 277 Cb 0.65 0.61 -0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1xxi h LEU 277 CO -0.55 -0.50 0.09 0.00 -0.62 0.00 0.00 178.44 176.85 1xxi h ALA 278 N -0.29 1.97 -0.05 1.25 0.00 -0.02 -1.17 119.26 120.95 1xxi h ALA 278 Ca 0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xxi h ALA 278 Cb 0.70 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xxi h ALA 278 CO -0.37 -0.14 -0.07 -0.91 0.00 0.00 0.00 179.25 177.76 1xxi h ASN 279 N 0.00 0.15 1.39 0.00 2.35 0.27 -3.28 115.58 116.46 1xxi h ASN 279 Ca 0.05 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1xxi h ASN 279 Cb 0.23 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1xxi h ASN 279 CO -0.00 0.63 0.00 1.41 -1.65 0.00 0.00 177.43 177.82 1xxi n HIS 280 N -4.72 0.96 -3.99 1.19 8.25 -0.11 -4.75 115.22 112.04 1xxi n HIS 280 Ca -0.08 0.29 -0.30 0.00 -0.26 0.00 0.00 57.72 57.37 1xxi n HIS 280 Cb 0.31 -0.97 -0.16 0.00 1.12 0.00 0.00 29.99 30.29 1xxi n HIS 280 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xxi s LEU 281 N -4.59 1.87 0.78 2.41 1.43 -0.49 -5.10 118.68 115.00 1xxi s LEU 281 Ca 0.10 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1xxi s LEU 281 Cb 0.12 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 45.19 1xxi s LEU 281 CO 0.57 -0.10 0.73 -1.54 0.23 0.00 0.00 176.35 176.24 1xxi n SER 282 N 4.76 -0.56 0.32 2.29 3.41 -1.26 -4.66 113.62 117.93 1xxi n SER 282 Ca -0.15 0.56 0.21 0.00 -0.26 0.00 0.00 58.87 59.23 1xxi n SER 282 Cb 0.48 -1.31 1.10 0.00 -0.26 0.00 0.00 64.21 64.22 1xxi n SER 282 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1xxi h PRO 283 N -0.66 0.00 0.01 4.33 0.13 -1.96 -1.94 132.00 131.91 1xxi h PRO 283 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1xxi h PRO 283 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1xxi h PRO 283 CO 0.43 0.00 -0.05 0.66 -0.23 0.00 0.00 178.00 178.81 1xxi h SER 284 N 0.00 0.03 -0.71 1.44 4.64 -2.00 -2.61 113.55 114.34 1xxi h SER 284 Ca -0.00 -0.94 0.14 0.00 -0.47 0.00 0.00 61.79 60.52 1xxi h SER 284 Cb 0.11 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 62.10 1xxi h SER 284 CO 0.00 0.97 0.23 -0.09 -0.87 0.00 0.00 176.83 177.07 1xxi h ARG 285 N -0.91 0.35 -0.42 4.77 2.43 -1.80 0.10 114.38 118.90 1xxi h ARG 285 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xxi h ARG 285 Cb 0.98 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1xxi h ARG 285 CO 0.01 0.23 0.26 -0.07 -1.51 0.00 0.00 179.97 178.89 1xxi h LEU 286 N 0.36 0.50 -0.00 3.80 3.38 -1.43 -1.75 115.31 120.16 1xxi h LEU 286 Ca 0.39 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.35 1xxi h LEU 286 Cb 0.61 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1xxi h LEU 286 CO -0.43 0.40 -0.28 1.56 0.09 0.00 0.00 178.44 179.78 1xxi h GLN 287 N 0.56 -0.41 -0.32 1.13 1.08 -0.45 -0.35 115.11 116.34 1xxi h GLN 287 Ca 0.15 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.45 1xxi h GLN 287 Cb -0.02 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.42 1xxi h GLN 287 CO -0.03 -0.27 -0.38 0.00 -0.95 0.00 0.00 178.83 177.19 1xxi h ALA 288 N 0.37 -0.38 -0.20 3.87 0.00 -0.80 -2.00 119.26 120.13 1xxi h ALA 288 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xxi h ALA 288 Cb 0.51 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1xxi h ALA 288 CO -0.24 -0.83 0.13 0.82 0.00 0.00 0.00 179.25 179.13 1xxi h ILE 289 N -0.34 1.06 -0.92 0.00 2.04 -1.03 -2.72 117.51 115.59 1xxi h ILE 289 Ca 0.13 -0.11 0.26 0.00 1.00 0.00 0.00 64.86 66.15 1xxi h ILE 289 Cb 0.58 0.77 -0.15 0.00 -0.74 0.00 0.00 36.82 37.28 1xxi h ILE 289 CO -0.51 0.05 0.33 0.25 0.00 0.00 0.00 178.15 178.28 1xxi h LEU 290 N 0.27 0.15 0.25 1.44 6.46 -0.36 0.18 115.31 123.69 1xxi h LEU 290 Ca 0.07 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 1xxi h LEU 290 Cb -0.02 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1xxi h LEU 290 CO -0.02 -0.16 -0.12 1.23 -0.62 0.00 0.00 178.44 178.76 1xxi h GLY 291 N 0.24 -0.35 0.59 3.75 0.00 -1.11 -0.98 103.07 105.20 1xxi h GLY 291 Ca 0.61 0.13 0.09 0.00 0.00 0.00 0.00 47.33 48.16 1xxi h GLY 291 CO -0.65 -0.13 0.58 -0.55 0.00 0.00 0.00 176.54 175.79 1xxi h ASP 292 N -0.80 0.87 -0.70 0.19 5.19 -1.17 0.85 116.42 120.86 1xxi h ASP 292 Ca -0.03 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1xxi h ASP 292 Cb 0.51 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 1xxi h ASP 292 CO 0.06 0.51 0.36 0.58 -3.12 0.00 0.00 179.24 177.62 1xxi h VAL 293 N 0.98 1.22 0.18 -1.35 2.07 -1.01 0.76 116.25 119.10 1xxi h VAL 293 Ca 0.44 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1xxi h VAL 293 Cb 0.33 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1xxi h VAL 293 CO -0.22 0.26 -0.09 0.00 0.02 0.00 0.00 177.57 177.53 1xxi h HIS 295 N -0.48 1.09 -0.22 0.00 -0.00 0.58 -2.88 115.15 113.24 1xxi h HIS 295 Ca -0.02 -0.28 -0.05 0.00 -0.00 0.00 0.00 60.37 60.01 1xxi h HIS 295 Cb 0.37 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1xxi h HIS 295 CO 0.00 1.09 -0.10 0.82 -0.00 0.00 0.00 177.93 179.75 1xxi h ILE 296 N 0.78 1.19 -0.46 2.45 5.03 -0.86 -0.92 117.51 124.72 1xxi h ILE 296 Ca 0.09 -0.83 -0.08 0.00 -0.12 0.00 0.00 64.86 63.92 1xxi h ILE 296 Cb 0.82 1.14 -0.02 0.00 -3.03 0.00 0.00 36.82 35.73 1xxi h ILE 296 CO 0.07 0.27 -0.03 -0.09 -0.68 0.00 0.00 178.15 177.69 1xxi h ARG 297 N 0.33 0.78 -0.28 2.37 2.43 -1.09 -2.95 114.38 115.97 1xxi h ARG 297 Ca 0.07 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 1xxi h ARG 297 Cb 0.39 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1xxi h ARG 297 CO 0.02 0.81 -0.23 1.49 -1.51 0.00 0.00 179.97 180.55 1xxi h GLU 298 N 0.72 0.65 0.00 0.20 4.22 -1.01 -2.21 114.58 117.15 1xxi h GLU 298 Ca 0.14 -0.32 -0.01 0.00 0.08 0.00 0.00 59.36 59.24 1xxi h GLU 298 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xxi h GLU 298 CO 0.02 0.92 -0.04 -0.56 -2.18 0.00 0.00 179.01 177.18 1xxi h GLN 299 N 0.38 0.00 -0.18 1.92 3.07 -1.15 0.35 115.11 119.51 1xxi h GLN 299 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.71 1xxi h GLN 299 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.34 1xxi h GLN 299 CO 0.06 0.04 -0.20 -0.07 0.09 0.00 0.00 178.83 178.75 1xxi h LEU 300 N 0.00 0.48 0.10 0.06 3.38 -1.31 -2.38 115.31 115.64 1xxi h LEU 300 Ca -0.00 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1xxi h LEU 300 Cb 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xxi h LEU 300 CO 0.01 0.87 -0.05 0.24 0.09 0.00 0.00 178.44 179.60 1xxi h MET 301 N 0.10 -0.13 0.00 1.13 2.86 -0.53 -3.41 114.93 114.96 1xxi h MET 301 Ca 0.03 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1xxi h MET 301 Cb 0.75 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1xxi h MET 301 CO 0.05 0.27 0.00 -1.13 1.06 0.00 0.00 176.91 177.16 1xxi n SER 302 N -4.95 0.00 -4.68 1.22 3.41 0.11 -4.83 113.62 103.89 1xxi n SER 302 Ca -0.09 0.51 -0.56 0.00 -0.26 0.00 0.00 58.87 58.47 1xxi n SER 302 Cb 0.24 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 1xxi n SER 302 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xxi n VAL 303 N -1.35 0.22 -0.26 -3.33 0.31 -0.90 -4.85 118.33 108.18 1xxi n VAL 303 Ca 0.00 -0.04 0.11 0.00 -0.01 0.00 0.00 64.34 64.40 1xxi n VAL 303 Cb 0.00 -1.10 0.22 0.00 -0.91 0.00 0.00 33.84 32.06 1xxi n VAL 303 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1xxi n THR 304 N 4.02 -0.32 -2.70 2.52 -1.04 -1.26 -4.15 114.28 111.35 1xxi n THR 304 Ca 0.24 1.66 -0.06 0.00 -2.04 0.00 0.00 64.05 63.85 1xxi n THR 304 Cb 0.14 -2.43 0.09 0.00 -1.82 0.00 0.00 70.33 66.31 1xxi n THR 304 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xxi n GLY 305 N -1.38 -0.44 3.80 3.41 0.00 -1.26 -5.14 105.19 104.17 1xxi n GLY 305 Ca 0.18 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 1xxi n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxi s ILE 306 N 0.25 1.93 -0.38 -0.61 1.01 -1.26 -4.95 121.20 117.18 1xxi s ILE 306 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.60 1xxi s ILE 306 Cb 0.27 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1xxi s ILE 306 CO -0.13 0.00 1.14 0.20 0.00 0.00 0.00 174.94 176.15 1xxi s ASN 307 N -4.28 6.75 0.24 3.58 0.01 -1.26 -4.87 114.94 115.11 1xxi s ASN 307 Ca 0.67 0.83 -0.07 0.00 -0.71 0.00 0.00 52.86 53.58 1xxi s ASN 307 Cb -0.11 -2.55 0.23 0.00 0.41 0.00 0.00 41.25 39.24 1xxi s ASN 307 CO 0.53 -1.08 1.91 -0.09 -1.51 0.00 0.00 177.10 176.86 1xxi h ARG 308 N 8.81 1.18 0.56 -0.60 2.43 -2.00 -2.24 114.38 122.53 1xxi h ARG 308 Ca -0.22 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.85 1xxi h ARG 308 Cb 1.07 -0.27 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1xxi h ARG 308 CO 1.07 0.78 -0.27 1.49 -1.51 0.00 0.00 179.97 181.54 1xxi h GLU 309 N 1.22 -0.73 0.49 0.20 4.81 -1.98 -2.73 114.58 115.85 1xxi h GLU 309 Ca 0.34 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1xxi h GLU 309 Cb -0.11 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1xxi h GLU 309 CO -0.08 -0.43 -0.35 1.25 -0.73 0.00 0.00 179.01 178.67 1xxi h LEU 310 N -0.94 -0.90 -0.50 1.64 6.46 -1.95 -1.07 115.31 118.05 1xxi h LEU 310 Ca -0.08 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 57.83 1xxi h LEU 310 Cb 0.64 0.28 -0.10 0.00 -0.73 0.00 0.00 40.66 40.75 1xxi h LEU 310 CO 0.13 -0.52 -0.38 0.25 -0.62 0.00 0.00 178.44 177.29 1xxi h LEU 311 N -0.81 -1.30 -0.61 2.25 5.85 -1.48 0.06 115.31 119.27 1xxi h LEU 311 Ca -0.05 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1xxi h LEU 311 Cb 0.68 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1xxi h LEU 311 CO 0.02 -0.33 0.35 0.40 -0.34 0.00 0.00 178.44 178.54 1xxi h ILE 312 N -0.24 1.19 -0.82 4.05 2.04 -1.39 0.16 117.51 122.49 1xxi h ILE 312 Ca 0.18 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.69 1xxi h ILE 312 Cb 0.56 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1xxi h ILE 312 CO -0.62 0.20 0.54 0.74 0.00 0.00 0.00 178.15 179.00 1xxi h THR 313 N 0.83 0.96 -0.19 -0.27 2.02 -0.11 0.45 112.91 116.60 1xxi h THR 313 Ca 0.22 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 67.00 1xxi h THR 313 Cb 0.01 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1xxi h THR 313 CO -0.04 0.14 -0.39 -0.78 0.37 0.00 0.00 175.52 174.82 1xxi h ASP 314 N 0.79 0.67 0.14 4.18 3.58 0.02 -0.51 116.42 125.29 1xxi h ASP 314 Ca 0.38 -0.56 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1xxi h ASP 314 Cb 0.41 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1xxi h ASP 314 CO -0.15 1.10 -0.08 0.25 -2.88 0.00 0.00 179.24 177.49 1xxi h LEU 315 N 0.27 -0.19 0.25 2.28 6.46 0.11 -1.02 115.31 123.46 1xxi h LEU 315 Ca 0.00 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1xxi h LEU 315 Cb 1.00 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1xxi h LEU 315 CO 0.09 -0.13 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.49 1xxi h LEU 316 N -0.21 -0.59 -1.02 2.25 3.38 -0.15 0.56 115.31 119.53 1xxi h LEU 316 Ca -0.01 0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.21 1xxi h LEU 316 Cb 0.17 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.99 1xxi h LEU 316 CO 0.02 -0.30 0.61 -0.07 0.09 0.00 0.00 178.44 178.79 1xxi h LEU 317 N -0.46 0.73 -1.08 1.67 3.38 -1.12 0.80 115.31 119.23 1xxi h LEU 317 Ca -0.03 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1xxi h LEU 317 Cb 0.39 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1xxi h LEU 317 CO -0.01 0.21 0.11 -0.09 0.09 0.00 0.00 178.44 178.75 1xxi h ARG 318 N 0.68 0.76 -0.95 1.13 2.43 -0.69 -1.64 114.38 116.11 1xxi h ARG 318 Ca 0.60 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.63 1xxi h ARG 318 Cb 1.04 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.43 1xxi h ARG 318 CO -0.41 0.70 0.62 0.82 -1.51 0.00 0.00 179.97 180.19 1xxi h ILE 319 N 0.74 1.24 0.00 1.20 2.04 0.15 -2.38 117.51 120.50 1xxi h ILE 319 Ca 0.16 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1xxi h ILE 319 Cb 0.29 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1xxi h ILE 319 CO -0.00 0.24 -0.13 -0.33 0.00 0.00 0.00 178.15 177.93 1xxi h GLU 320 N 1.28 0.00 0.00 2.37 5.08 -0.98 -1.94 114.58 120.39 1xxi h GLU 320 Ca 0.35 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1xxi h GLU 320 Cb -0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1xxi h GLU 320 CO -0.07 0.13 -0.29 1.25 -1.00 0.00 0.00 179.01 179.03 1xxi h HIS 321 N 0.00 0.00 -0.11 4.33 2.76 -1.24 -3.11 115.15 117.78 1xxi h HIS 321 Ca -0.00 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 1xxi h HIS 321 Cb 0.47 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 1xxi h HIS 321 CO 0.00 0.19 -0.65 1.88 -1.30 0.00 0.00 177.93 178.05 1xxi h TYR 322 N 0.00 0.54 0.00 5.26 0.05 -1.21 -3.06 116.97 118.56 1xxi h TYR 322 Ca -0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 1xxi h TYR 322 Cb 1.15 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.80 1xxi h TYR 322 CO 0.00 0.95 -0.05 -0.07 -1.05 0.00 0.00 178.16 177.93 1xxi h LEU 323 N 0.30 0.00 -9.64 3.88 3.38 -1.44 -3.44 115.31 108.35 1xxi h LEU 323 Ca -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 1xxi h LEU 323 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1xxi h LEU 323 CO 0.11 0.05 0.43 -1.10 0.09 0.00 0.00 178.44 178.03 1xxi s GLN 324 N -3.83 4.65 0.22 1.13 -0.21 -1.16 -4.99 119.66 115.47 1xxi s GLN 324 Ca -0.01 1.62 -0.32 0.00 0.02 0.00 0.00 55.36 56.67 1xxi s GLN 324 Cb 0.10 -3.31 -0.12 0.00 1.00 0.00 0.00 33.01 30.68 1xxi s GLN 324 CO 0.54 0.15 1.65 -2.30 -2.12 0.00 0.00 175.29 173.21 1xxi n PRO 325 N 2.42 2.58 0.00 2.91 -0.02 -1.26 -2.93 135.00 138.70 1xxi n PRO 325 Ca 0.02 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1xxi n PRO 325 Cb 0.47 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1xxi n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xxi n GLY 326 N 3.35 2.41 3.74 -1.23 0.00 -1.26 -5.06 105.19 107.14 1xxi n GLY 326 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1xxi n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxi s VAL 327 N -2.67 3.58 -0.75 1.61 1.01 -1.15 -5.00 120.40 117.03 1xxi s VAL 327 Ca 0.00 1.41 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 1xxi s VAL 327 Cb 0.00 -3.90 0.15 0.00 0.00 0.00 0.00 36.38 32.63 1xxi s VAL 327 CO 0.00 0.26 0.82 0.54 0.00 0.00 0.00 175.10 176.72 1xxi s VAL 328 N -0.43 5.07 0.91 2.92 0.11 -1.26 -5.03 120.40 122.69 1xxi s VAL 328 Ca 0.50 -1.63 -0.10 0.00 -2.93 0.00 0.00 61.98 57.81 1xxi s VAL 328 Cb -0.32 -4.55 0.14 0.00 -1.53 0.00 0.00 36.38 30.13 1xxi s VAL 328 CO 0.38 -1.18 1.15 0.00 -3.33 0.00 0.00 175.10 172.12 1xxi n LEU 329 N 5.58 3.39 -4.73 2.54 -0.00 -1.26 -5.00 117.00 117.52 1xxi n LEU 329 Ca 0.06 0.43 -0.30 0.00 -0.00 0.00 0.00 56.01 56.20 1xxi n LEU 329 Cb 0.45 -1.48 0.12 0.00 -0.00 0.00 0.00 43.42 42.52 1xxi n LEU 329 CO 0.48 -2.14 0.68 -2.16 -0.00 0.00 0.00 177.39 174.25 1xxi s PRO 330 N -4.59 1.61 -0.02 1.47 0.04 -1.26 -5.11 135.00 127.14 1xxi s PRO 330 Ca 0.67 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1xxi s PRO 330 Cb -0.23 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1xxi s PRO 330 CO 0.58 -2.04 -0.10 0.08 0.04 0.00 0.00 177.00 175.56 1xxi s VAL 331 N -2.91 0.83 0.87 -0.36 1.01 -1.26 -4.86 120.40 113.72 1xxi s VAL 331 Ca 0.63 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 1xxi s VAL 331 Cb -0.18 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1xxi s VAL 331 CO 0.57 0.24 0.55 -2.65 0.00 0.00 0.00 175.10 173.81 1xxi n PRO 332 N 3.01 -0.08 -3.33 2.72 -0.02 -1.26 -5.02 135.00 131.03 1xxi n PRO 332 Ca -0.16 0.03 -0.19 0.00 -2.02 0.00 0.00 63.50 61.16 1xxi n PRO 332 Cb 0.55 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 32.10 1xxi n PRO 332 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1xxi s HIS 333 N -2.24 2.60 0.00 6.00 3.76 -1.26 -5.34 115.29 118.81 1xxi s HIS 333 Ca 0.61 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 1xxi s HIS 333 Cb -0.26 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.19 1xxi s HIS 333 CO 0.63 -0.33 0.00 1.28 -0.85 0.00 0.00 174.74 175.47