#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irs s LYS 2 N 0.00 4.49 -0.12 1.96 2.20 -1.26 -4.92 119.74 122.09 3irs s LYS 2 Ca 0.00 1.69 0.02 0.00 -0.36 0.00 0.00 55.97 57.32 3irs s LYS 2 Cb 0.00 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 3irs s LYS 2 CO 0.00 -0.14 -0.18 0.42 -0.36 0.00 0.00 175.35 175.09 3irs s ILE 3 N 0.78 1.69 -0.30 5.43 1.01 -1.25 -4.19 121.20 124.37 3irs s ILE 3 Ca 0.55 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 3irs s ILE 3 Cb -0.28 -1.52 0.03 0.00 0.01 0.00 0.00 42.46 40.70 3irs s ILE 3 CO 0.30 0.48 0.06 -0.63 0.00 0.00 0.00 174.94 175.15 3irs s ILE 4 N 0.87 3.63 -0.34 2.92 1.01 0.13 -1.19 121.20 128.24 3irs s ILE 4 Ca -0.08 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 3irs s ILE 4 Cb -0.15 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 3irs s ILE 4 CO -0.01 -0.01 1.44 -0.62 0.00 0.00 0.00 174.94 175.75 3irs s ASP 5 N 1.41 6.41 0.00 3.58 -1.08 0.05 -4.66 116.67 122.38 3irs s ASP 5 Ca -0.00 1.13 0.30 0.00 -0.52 0.00 0.00 52.55 53.46 3irs s ASP 5 Cb -0.18 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.54 3irs s ASP 5 CO 0.01 -1.31 2.13 0.33 0.52 0.00 0.00 175.17 176.85 3irs n PHE 6 N 8.50 0.00 -3.20 -5.34 7.35 -0.06 -0.08 117.46 124.63 3irs n PHE 6 Ca 0.17 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.70 3irs n PHE 6 Cb 0.47 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.24 3irs n PHE 6 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3irs s ARG 7 N -2.00 0.86 -0.18 -4.13 3.52 -1.26 -4.71 118.95 111.05 3irs s ARG 7 Ca 0.45 -1.35 -0.00 0.00 -0.13 0.00 0.00 55.73 54.70 3irs s ARG 7 Cb 0.21 -0.75 0.04 0.00 -1.56 0.00 0.00 34.95 32.89 3irs s ARG 7 CO 0.35 -1.30 -0.06 -1.17 -0.81 0.00 0.00 175.30 172.31 3irs s LEU 8 N 0.80 1.81 -0.42 -0.88 0.20 -0.79 -1.45 118.68 117.95 3irs s LEU 8 Ca 0.26 -0.77 -0.06 0.00 0.69 0.00 0.00 54.13 54.25 3irs s LEU 8 Cb -0.04 -0.98 0.10 0.00 -0.43 0.00 0.00 46.19 44.84 3irs s LEU 8 CO -0.09 -0.19 0.24 -0.13 -0.29 0.00 0.00 176.35 175.89 3irs s ARG 9 N 1.58 2.35 0.45 1.98 3.00 -0.62 -3.62 118.95 124.07 3irs s ARG 9 Ca -0.00 -1.65 -0.23 0.00 0.00 0.00 0.00 55.73 53.85 3irs s ARG 9 Cb -0.16 -3.71 -0.08 0.00 0.00 0.00 0.00 34.95 31.01 3irs s ARG 9 CO -0.08 -1.03 1.13 -1.25 0.00 0.00 0.00 175.30 174.07 3irs s PRO 10 N 1.30 3.84 -1.11 3.54 0.04 -1.26 -4.23 135.00 137.12 3irs s PRO 10 Ca 0.05 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 3irs s PRO 10 Cb -0.24 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 3irs s PRO 10 CO -0.01 -0.46 2.10 -0.35 0.04 0.00 0.00 177.00 178.32 3irs n PRO 11 N -0.45 2.20 -3.84 0.56 -0.04 -1.26 -4.61 135.00 127.56 3irs n PRO 11 Ca 0.07 -2.18 -0.12 0.00 -0.04 0.00 0.00 63.50 61.23 3irs n PRO 11 Cb 0.49 -3.06 -0.13 0.00 -0.04 0.00 0.00 33.50 30.76 3irs n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3irs s ALA 12 N 4.03 -0.27 0.00 0.55 0.00 -1.26 -4.21 121.76 120.60 3irs s ALA 12 Ca 0.52 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3irs s ALA 12 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3irs s ALA 12 CO 0.01 -0.07 0.00 -1.33 0.00 0.00 0.00 175.76 174.37 3irs n MET 13 N 2.84 0.00 0.27 0.00 2.81 -1.26 -2.18 117.12 119.59 3irs n MET 13 Ca -0.14 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 55.93 3irs n MET 13 Cb 0.59 0.00 0.82 0.00 -0.71 0.00 0.00 33.22 33.91 3irs n MET 13 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3irs h GLY 14 N 0.00 0.00 0.77 3.03 0.00 -1.93 -2.53 103.07 102.41 3irs h GLY 14 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 3irs h GLY 14 CO 0.00 0.00 0.52 0.74 0.00 0.00 0.00 176.54 177.80 3irs h PHE 15 N 0.00 0.71 0.00 5.60 0.04 -1.72 0.23 116.94 121.79 3irs h PHE 15 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3irs h PHE 15 Cb 0.30 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3irs h PHE 15 CO 0.00 0.31 0.00 -0.07 -0.60 0.00 0.00 178.31 177.95 3irs h LEU 16 N 0.64 0.00 -0.40 1.54 3.38 -1.56 -2.14 115.31 116.77 3irs h LEU 16 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3irs h LEU 16 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3irs h LEU 16 CO -0.14 0.00 -0.39 0.59 0.09 0.00 0.00 178.44 178.59 3irs n ASN 17 N -2.32 1.01 -4.84 -0.43 3.02 0.07 -4.05 115.26 107.72 3irs n ASN 17 Ca -0.01 -0.81 -0.32 0.00 -0.03 0.00 0.00 54.58 53.41 3irs n ASN 17 Cb 0.09 0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 3irs n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3irs s ALA 18 N -2.65 3.07 0.57 5.41 0.00 -0.81 -4.25 121.76 123.11 3irs s ALA 18 Ca 0.19 0.21 0.28 0.00 0.00 0.00 0.00 51.96 52.65 3irs s ALA 18 Cb 0.18 -3.11 1.51 0.00 0.00 0.00 0.00 23.12 21.71 3irs s ALA 18 CO 0.59 -0.15 1.99 -0.09 0.00 0.00 0.00 175.76 178.10 3irs h ARG 19 N 1.14 0.00 -0.05 0.00 2.43 -1.45 -0.11 114.38 116.33 3irs h ARG 19 Ca -0.47 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 3irs h ARG 19 Cb 1.18 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3irs h ARG 19 CO 0.61 0.00 0.07 -0.84 -1.51 0.00 0.00 179.97 178.31 3irs h ILE 20 N 0.00 0.40 0.00 1.20 3.07 -1.88 -1.03 117.51 119.27 3irs h ILE 20 Ca 0.19 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.49 3irs h ILE 20 Cb 0.92 0.94 -0.02 0.00 -0.27 0.00 0.00 36.82 38.39 3irs h ILE 20 CO -0.00 0.00 -1.41 -1.22 -1.05 0.00 0.00 178.15 174.46 3irs n TYR 21 N -3.67 0.00 0.20 0.16 4.01 -0.17 -4.64 117.16 113.06 3irs n TYR 21 Ca -0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.80 3irs n TYR 21 Cb 0.16 -0.29 0.41 0.00 -0.31 0.00 0.00 39.34 39.32 3irs n TYR 21 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3irs h THR 22 N 0.00 0.80 -2.36 -0.72 1.35 -1.27 -3.34 112.91 107.37 3irs h THR 22 Ca -0.16 -1.29 -0.60 0.00 -0.55 0.00 0.00 66.41 63.81 3irs h THR 22 Cb 1.29 1.80 -0.42 0.00 -1.73 0.00 0.00 68.15 69.09 3irs h THR 22 CO -0.01 0.30 -0.59 0.54 -0.25 0.00 0.00 175.52 175.51 3irs n ARG 23 N -3.56 2.39 0.29 4.72 5.12 -0.39 -4.91 116.66 120.32 3irs n ARG 23 Ca -0.01 -4.63 0.16 0.00 -1.93 0.00 0.00 57.85 51.44 3irs n ARG 23 Cb 0.45 -2.26 0.89 0.00 -1.16 0.00 0.00 32.46 30.38 3irs n ARG 23 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3irs h PRO 24 N 4.41 0.00 -0.58 5.56 0.11 -1.78 -2.28 132.00 137.43 3irs h PRO 24 Ca 0.19 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 3irs h PRO 24 Cb 0.68 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.76 3irs h PRO 24 CO 0.81 0.05 0.26 0.38 -0.21 0.00 0.00 178.00 179.29 3irs h ASP 25 N 0.00 0.78 -0.11 -2.05 2.03 -1.95 0.22 116.42 115.34 3irs h ASP 25 Ca -0.00 -0.15 -0.04 0.00 -0.73 0.00 0.00 57.03 56.11 3irs h ASP 25 Cb 0.15 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.45 3irs h ASP 25 CO 0.01 0.71 -0.10 0.40 -1.03 0.00 0.00 179.24 179.22 3irs h ILE 26 N 0.79 1.35 0.26 4.15 2.04 -1.80 -2.53 117.51 121.78 3irs h ILE 26 Ca 0.20 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 3irs h ILE 26 Cb 0.15 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3irs h ILE 26 CO -0.02 0.35 -0.23 -0.09 0.00 0.00 0.00 178.15 178.16 3irs h ARG 27 N -0.12 -0.49 -0.11 2.37 2.43 -1.38 -2.69 114.38 114.40 3irs h ARG 27 Ca 0.02 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3irs h ARG 27 Cb 0.61 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3irs h ARG 27 CO 0.03 -0.33 0.04 -0.91 -1.51 0.00 0.00 179.97 177.29 3irs h ASN 28 N -0.51 0.13 0.20 -3.80 2.35 -0.64 -0.49 115.58 112.83 3irs h ASN 28 Ca -0.01 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3irs h ASN 28 Cb 0.46 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3irs h ASN 28 CO -0.03 0.12 -0.10 -0.09 -1.65 0.00 0.00 177.43 175.68 3irs h ARG 29 N 0.15 -0.26 -0.72 0.81 2.43 -1.25 -1.55 114.38 113.99 3irs h ARG 29 Ca 0.04 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3irs h ARG 29 Cb 0.03 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3irs h ARG 29 CO -0.00 -0.13 0.46 0.74 -1.51 0.00 0.00 179.97 179.52 3irs h PHE 30 N -0.34 0.92 -0.77 2.20 0.04 -1.07 -0.92 116.94 117.00 3irs h PHE 30 Ca -0.03 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.77 3irs h PHE 30 Cb 0.26 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 3irs h PHE 30 CO -0.04 0.60 0.50 1.15 -0.60 0.00 0.00 178.31 179.91 3irs h THR 31 N 0.97 1.15 -0.02 -1.55 2.02 -0.98 -0.15 112.91 114.35 3irs h THR 31 Ca 0.26 -0.34 -0.24 0.00 0.77 0.00 0.00 66.41 66.86 3irs h THR 31 Cb -0.08 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3irs h THR 31 CO -0.05 0.18 -0.95 0.03 0.37 0.00 0.00 175.52 175.09 3irs h ARG 32 N 0.99 0.56 -0.84 6.66 3.08 -1.16 -0.37 114.38 123.31 3irs h ARG 32 Ca 0.30 -0.58 0.05 0.00 0.07 0.00 0.00 59.98 59.82 3irs h ARG 32 Cb -0.05 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3irs h ARG 32 CO -0.09 1.20 0.55 1.96 -1.07 0.00 0.00 179.97 182.52 3irs h GLN 33 N 0.33 0.93 -0.08 0.04 4.20 -0.83 -1.66 115.11 118.04 3irs h GLN 33 Ca -0.09 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 3irs h GLN 33 Cb 1.59 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 3irs h GLN 33 CO 0.18 0.62 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.45 3irs h LEU 34 N 0.96 0.19 0.00 1.46 3.38 -0.86 -3.47 115.31 116.97 3irs h LEU 34 Ca 0.35 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3irs h LEU 34 Cb 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3irs h LEU 34 CO -0.12 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.62 3irs n GLY 35 N -0.17 1.70 3.72 0.83 0.00 -0.62 -4.91 105.19 105.74 3irs n GLY 35 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3irs n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3irs s PHE 36 N -2.00 2.89 -0.05 1.61 0.08 -0.19 -5.00 117.98 115.32 3irs s PHE 36 Ca 0.00 -0.16 -0.07 0.00 0.12 0.00 0.00 56.93 56.82 3irs s PHE 36 Cb 0.00 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 3irs s PHE 36 CO 0.00 0.57 0.21 -1.21 -0.10 0.00 0.00 175.22 174.69 3irs s GLU 37 N -3.68 3.53 0.29 0.44 0.41 -1.26 -3.50 118.70 114.93 3irs s GLU 37 Ca 0.32 -0.08 -0.29 0.00 -0.41 0.00 0.00 54.97 54.51 3irs s GLU 37 Cb -0.07 -3.15 -0.14 0.00 -1.78 0.00 0.00 34.13 28.99 3irs s GLU 37 CO 0.22 0.72 1.13 -2.30 -0.49 0.00 0.00 175.26 174.54 3irs n PRO 38 N 1.55 1.59 -2.12 0.39 -0.02 -1.26 -4.54 135.00 130.59 3irs n PRO 38 Ca -0.15 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 3irs n PRO 38 Cb 0.54 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3irs n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3irs s ALA 39 N -0.88 3.58 0.22 3.55 0.00 -1.26 -4.94 121.76 122.02 3irs s ALA 39 Ca 0.60 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.69 3irs s ALA 39 Cb -0.68 -3.52 0.32 0.00 0.00 0.00 0.00 23.12 19.25 3irs s ALA 39 CO 0.59 -0.64 1.69 -1.35 0.00 0.00 0.00 175.76 176.05 3irs h PRO 40 N 5.17 0.23 -0.80 0.00 0.11 -1.99 -1.47 132.00 133.25 3irs h PRO 40 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3irs h PRO 40 Cb 1.22 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3irs h PRO 40 CO 0.77 0.15 0.53 0.66 -0.21 0.00 0.00 178.00 179.90 3irs h SER 41 N 0.23 0.92 0.05 -2.05 4.64 -1.88 0.23 113.55 115.69 3irs h SER 41 Ca 0.33 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3irs h SER 41 Cb 0.52 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3irs h SER 41 CO -0.45 0.67 -0.02 0.00 -0.87 0.00 0.00 176.83 176.16 3irs h ALA 42 N 1.50 -0.06 -0.81 5.18 0.00 -1.71 0.18 119.26 123.54 3irs h ALA 42 Ca 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3irs h ALA 42 Cb -0.12 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3irs h ALA 42 CO -0.06 -0.44 0.51 0.93 0.00 0.00 0.00 179.25 180.18 3irs h GLU 43 N -0.25 1.09 0.00 0.00 4.39 -0.75 -2.51 114.58 116.55 3irs h GLU 43 Ca -0.01 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3irs h GLU 43 Cb 0.23 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3irs h GLU 43 CO 0.01 0.75 -0.05 0.93 -1.16 0.00 0.00 179.01 179.49 3irs h GLU 44 N 1.11 0.00 -6.18 2.33 4.39 -0.54 -3.48 114.58 112.21 3irs h GLU 44 Ca 0.29 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.55 3irs h GLU 44 Cb -0.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3irs h GLU 44 CO -0.06 0.00 -0.81 1.63 -1.16 0.00 0.00 179.01 178.61 3irs n LYS 45 N -2.31 -5.05 -3.86 2.33 5.02 0.55 -4.99 118.16 109.85 3irs n LYS 45 Ca 0.05 0.60 -0.36 0.00 -2.02 0.00 0.00 58.31 56.59 3irs n LYS 45 Cb 0.44 -5.25 -0.13 0.00 -0.02 0.00 0.00 35.03 30.07 3irs n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3irs s SER 46 N -4.02 4.72 0.41 4.39 0.15 -0.66 -4.92 113.70 113.78 3irs s SER 46 Ca 0.22 -0.80 0.12 0.00 0.70 0.00 0.00 55.95 56.18 3irs s SER 46 Cb -0.11 -1.77 0.87 0.00 -1.71 0.00 0.00 66.02 63.30 3irs s SER 46 CO 0.82 -0.16 1.95 0.25 1.20 0.00 0.00 173.24 177.30 3irs h LEU 47 N 8.12 0.13 -0.03 3.45 5.85 -1.88 -1.68 115.31 129.27 3irs h LEU 47 Ca -0.32 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 3irs h LEU 47 Cb 1.12 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3irs h LEU 47 CO 0.59 0.30 0.01 -0.33 -0.34 0.00 0.00 178.44 178.66 3irs h GLU 48 N 0.14 0.05 -0.63 1.25 4.39 -1.95 -0.73 114.58 117.09 3irs h GLU 48 Ca 0.03 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 3irs h GLU 48 Cb 0.35 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 3irs h GLU 48 CO 0.02 0.25 0.18 -0.07 -1.16 0.00 0.00 179.01 178.23 3irs h LEU 49 N -0.16 0.91 -0.70 1.33 3.38 -1.94 -2.34 115.31 115.80 3irs h LEU 49 Ca 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3irs h LEU 49 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3irs h LEU 49 CO -0.00 0.87 0.42 -0.03 0.09 0.00 0.00 178.44 179.78 3irs h MET 50 N 0.94 0.95 -0.23 1.13 4.05 -1.19 -0.81 114.93 119.76 3irs h MET 50 Ca 0.21 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 3irs h MET 50 Cb 0.30 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3irs h MET 50 CO -0.00 0.68 0.02 0.74 0.23 0.00 0.00 176.91 178.58 3irs h PHE 51 N 0.95 0.34 0.01 1.39 0.04 -0.78 0.61 116.94 119.50 3irs h PHE 51 Ca 0.25 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 3irs h PHE 51 Cb -0.02 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.02 3irs h PHE 51 CO -0.01 0.33 -0.00 0.93 -0.60 0.00 0.00 178.31 178.96 3irs h GLU 52 N 0.33 -0.01 -0.53 1.51 5.08 -0.83 -2.34 114.58 117.80 3irs h GLU 52 Ca 0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3irs h GLU 52 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3irs h GLU 52 CO 0.00 0.37 0.08 0.93 -1.00 0.00 0.00 179.01 179.39 3irs h GLU 53 N -0.39 0.84 -0.27 2.33 5.08 -0.92 -1.05 114.58 120.20 3irs h GLU 53 Ca -0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3irs h GLU 53 Cb 0.38 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3irs h GLU 53 CO 0.00 0.79 0.12 1.98 -1.00 0.00 0.00 179.01 180.90 3irs h MET 54 N 0.80 0.40 -0.58 2.33 4.05 -0.91 -0.85 114.93 120.17 3irs h MET 54 Ca 0.17 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.42 3irs h MET 54 Cb 0.37 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 3irs h MET 54 CO 0.01 0.40 -0.04 0.00 0.23 0.00 0.00 176.91 177.51 3irs h ALA 55 N 0.97 0.78 -0.16 0.39 0.00 -1.13 -1.49 119.26 118.62 3irs h ALA 55 Ca 0.09 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3irs h ALA 55 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3irs h ALA 55 CO -0.01 0.65 -0.21 0.00 0.00 0.00 0.00 179.25 179.67 3irs h ALA 56 N 0.96 1.35 0.00 0.00 0.00 -1.11 -2.59 119.26 117.87 3irs h ALA 56 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3irs h ALA 56 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3irs h ALA 56 CO 0.04 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3irs n ALA 57 N -2.48 2.27 -0.87 0.00 0.00 -0.33 -4.91 120.51 114.18 3irs n ALA 57 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3irs n ALA 57 Cb 0.34 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3irs n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3irs n GLY 58 N 1.35 0.51 3.57 0.00 0.00 -0.98 -4.82 105.19 104.82 3irs n GLY 58 Ca 0.06 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3irs n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irs s ILE 59 N -2.00 4.94 0.02 -0.61 1.01 -0.59 -3.82 121.20 120.16 3irs s ILE 59 Ca 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 60.65 61.06 3irs s ILE 59 Cb 0.00 -4.02 -0.35 0.00 0.01 0.00 0.00 42.46 38.11 3irs s ILE 59 CO 0.00 -0.23 0.99 -0.08 0.00 0.00 0.00 174.94 175.62 3irs h GLU 60 N 8.39 0.51 -4.54 2.79 4.81 -1.44 -3.39 114.58 121.70 3irs h GLU 60 Ca -0.27 -0.85 -0.27 0.00 -0.13 0.00 0.00 59.36 57.84 3irs h GLU 60 Cb 1.12 0.31 -0.21 0.00 0.63 0.00 0.00 28.75 30.60 3irs h GLU 60 CO 0.80 1.41 -0.73 -0.65 -0.73 0.00 0.00 179.01 179.11 3irs s GLN 61 N -2.59 0.53 -0.01 1.92 -0.21 -1.04 -4.59 119.66 113.67 3irs s GLN 61 Ca -0.10 -0.77 0.07 0.00 0.02 0.00 0.00 55.36 54.58 3irs s GLN 61 Cb 0.03 -0.27 -0.02 0.00 1.00 0.00 0.00 33.01 33.75 3irs s GLN 61 CO 0.93 0.04 -0.23 0.20 -2.12 0.00 0.00 175.29 174.11 3irs s GLY 62 N -1.63 1.14 -0.52 3.09 0.00 0.37 -0.77 107.32 108.99 3irs s GLY 62 Ca -0.09 -1.01 -0.22 0.00 0.00 0.00 0.00 44.72 43.40 3irs s GLY 62 CO 0.00 -0.86 0.77 0.14 0.00 0.00 0.00 173.10 173.15 3irs s VAL 63 N -0.58 4.65 -1.03 1.40 1.01 0.88 -1.24 120.40 125.48 3irs s VAL 63 Ca 0.09 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 3irs s VAL 63 Cb -0.09 -4.40 0.02 0.00 0.00 0.00 0.00 36.38 31.92 3irs s VAL 63 CO -0.00 -0.91 1.62 0.00 0.00 0.00 0.00 175.10 175.80 3irs s VAL 65 N 6.33 4.12 0.86 0.00 1.01 -1.26 -1.88 120.40 129.58 3irs s VAL 65 Ca 0.53 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 63.50 3irs s VAL 65 Cb -0.01 -4.65 0.11 0.00 0.00 0.00 0.00 36.38 31.83 3irs s VAL 65 CO -0.05 -1.14 1.14 -0.83 0.00 0.00 0.00 175.10 174.22 3irs s GLY 66 N 2.70 1.75 -0.07 4.51 0.00 -0.27 -4.90 107.32 111.03 3irs s GLY 66 Ca 0.46 0.53 -0.06 0.00 0.00 0.00 0.00 44.72 45.66 3irs s GLY 66 CO 0.29 0.93 0.19 -1.60 0.00 0.00 0.00 173.10 172.91 3irs s ARG 67 N -4.65 0.20 -0.21 2.90 3.52 -1.26 -4.61 118.95 114.85 3irs s ARG 67 Ca 0.66 0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 56.52 3irs s ARG 67 Cb -0.22 0.05 0.07 0.00 -1.56 0.00 0.00 34.95 33.29 3irs s ARG 67 CO 0.56 -0.06 0.09 -0.80 -0.81 0.00 0.00 175.30 174.28 3irs s ASN 68 N 0.36 2.79 -0.21 -2.12 0.01 -1.26 -0.71 114.94 113.80 3irs s ASN 68 Ca -0.02 -0.84 -0.11 0.00 -0.71 0.00 0.00 52.86 51.18 3irs s ASN 68 Cb -0.04 -0.38 0.07 0.00 0.41 0.00 0.00 41.25 41.32 3irs s ASN 68 CO -0.02 -0.36 0.51 -0.55 -1.51 0.00 0.00 177.10 175.18 3irs s SER 69 N 2.04 -0.66 0.20 -1.22 0.15 -0.94 -4.43 113.70 108.84 3irs s SER 69 Ca 0.03 1.14 -0.12 0.00 0.70 0.00 0.00 55.95 57.70 3irs s SER 69 Cb -0.16 1.11 0.13 0.00 -1.71 0.00 0.00 66.02 65.38 3irs s SER 69 CO -0.15 -0.21 1.86 -1.28 1.20 0.00 0.00 173.24 174.66 3irs h SER 70 N 7.25 0.74 -0.02 5.45 0.87 -1.83 0.36 113.55 126.37 3irs h SER 70 Ca -0.31 -0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.04 3irs h SER 70 Cb 1.19 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3irs h SER 70 CO 0.22 0.54 -0.74 0.58 -0.53 0.00 0.00 176.83 176.89 3irs h VAL 71 N 0.88 1.36 -0.34 2.23 2.07 -1.84 -3.35 116.25 117.26 3irs h VAL 71 Ca 0.25 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.67 3irs h VAL 71 Cb -0.09 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3irs h VAL 71 CO -0.06 0.63 0.00 0.18 0.02 0.00 0.00 177.57 178.34 3irs n LEU 72 N -4.09 2.98 0.00 2.57 4.77 -1.22 -4.95 117.00 117.05 3irs n LEU 72 Ca -0.10 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 3irs n LEU 72 Cb 0.74 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3irs n LEU 72 CO 0.50 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 3irs n GLY 73 N 0.89 -1.44 3.02 -0.72 0.00 0.11 -1.17 105.19 105.88 3irs n GLY 73 Ca 0.14 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 3irs n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3irs s SER 74 N -3.40 0.03 -0.08 1.61 0.01 -1.26 -2.21 113.70 108.41 3irs s SER 74 Ca 0.00 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.16 3irs s SER 74 Cb 0.00 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.42 3irs s SER 74 CO 0.00 -0.22 -0.14 0.54 0.41 0.00 0.00 173.24 173.84 3irs s VAL 75 N -0.82 1.30 0.60 3.43 0.11 0.12 -4.26 120.40 120.86 3irs s VAL 75 Ca -0.09 -0.56 -0.19 0.00 -2.93 0.00 0.00 61.98 58.21 3irs s VAL 75 Cb -0.05 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 3irs s VAL 75 CO 0.00 0.39 1.28 -0.94 -3.33 0.00 0.00 175.10 172.50 3irs s SER 76 N 0.75 5.03 0.41 3.54 1.04 -1.26 -4.44 113.70 118.78 3irs s SER 76 Ca -0.12 2.57 0.08 0.00 0.48 0.00 0.00 55.95 58.96 3irs s SER 76 Cb -0.16 -2.62 0.87 0.00 0.10 0.00 0.00 66.02 64.22 3irs s SER 76 CO 0.03 -1.71 2.02 0.78 0.98 0.00 0.00 173.24 175.34 3irs h ASN 77 N 0.96 0.37 -0.67 7.02 2.35 -1.94 -2.03 115.58 121.63 3irs h ASN 77 Ca -0.51 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.15 3irs h ASN 77 Cb 1.31 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.56 3irs h ASN 77 CO 0.55 0.33 0.15 0.00 -1.65 0.00 0.00 177.43 176.81 3irs h ALA 78 N 1.73 0.98 -0.83 -0.83 0.00 -1.95 -1.60 119.26 116.75 3irs h ALA 78 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3irs h ALA 78 Cb 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3irs h ALA 78 CO -0.01 0.66 0.49 -0.44 0.00 0.00 0.00 179.25 179.94 3irs h ASP 79 N 1.03 1.00 -0.16 0.00 5.19 -1.80 -1.86 116.42 119.84 3irs h ASP 79 Ca 0.21 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 3irs h ASP 79 Cb 0.38 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3irs h ASP 79 CO 0.00 0.78 0.00 0.58 -3.12 0.00 0.00 179.24 177.49 3irs h VAL 80 N 1.15 1.25 -0.99 -1.35 2.07 -0.88 -2.02 116.25 115.49 3irs h VAL 80 Ca 0.30 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3irs h VAL 80 Cb -0.03 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3irs h VAL 80 CO -0.05 0.25 0.65 0.00 0.02 0.00 0.00 177.57 178.43 3irs h ALA 81 N 0.77 1.38 -0.36 1.67 0.00 -1.25 -2.66 119.26 118.80 3irs h ALA 81 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3irs h ALA 81 Cb 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3irs h ALA 81 CO 0.01 0.51 0.16 0.00 0.00 0.00 0.00 179.25 179.93 3irs h ALA 82 N 1.44 0.46 -0.62 0.00 0.00 -1.12 -1.01 119.26 118.41 3irs h ALA 82 Ca 0.41 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3irs h ALA 82 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3irs h ALA 82 CO -0.14 0.03 0.37 0.28 0.00 0.00 0.00 179.25 179.79 3irs h VAL 83 N 0.44 1.04 -0.26 0.00 2.07 -1.12 -1.50 116.25 116.92 3irs h VAL 83 Ca 0.12 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 3irs h VAL 83 Cb 0.14 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3irs h VAL 83 CO -0.01 0.13 -0.49 0.00 0.02 0.00 0.00 177.57 177.22 3irs h ALA 84 N 1.29 0.65 0.00 1.67 0.00 -1.25 -2.71 119.26 118.91 3irs h ALA 84 Ca 0.26 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3irs h ALA 84 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3irs h ALA 84 CO -0.12 0.68 -0.18 1.57 0.00 0.00 0.00 179.25 181.20 3irs h LYS 85 N 0.55 0.00 -0.02 0.00 2.10 -1.05 -2.15 116.57 116.00 3irs h LYS 85 Ca 0.03 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.53 3irs h LYS 85 Cb 1.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 3irs h LYS 85 CO 0.10 0.18 -0.66 0.00 -2.00 0.00 0.00 179.45 177.07 3irs h ALA 86 N 1.82 0.87 -2.05 0.07 0.00 -1.15 -3.35 119.26 115.47 3irs h ALA 86 Ca -0.00 -0.59 -0.55 0.00 0.00 0.00 0.00 54.91 53.77 3irs h ALA 86 Cb 1.00 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.30 3irs h ALA 86 CO 0.02 0.80 -1.01 0.66 0.00 0.00 0.00 179.25 179.72 3irs n TYR 87 N -3.78 0.78 0.28 0.00 4.01 -1.03 -5.00 117.16 112.42 3irs n TYR 87 Ca -0.02 -3.76 0.14 0.00 -0.16 0.00 0.00 57.90 54.11 3irs n TYR 87 Cb 0.65 -0.41 0.70 0.00 -0.31 0.00 0.00 39.34 39.97 3irs n TYR 87 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3irs h PRO 88 N 3.70 0.00 -0.01 -0.72 0.13 -1.54 0.27 132.00 133.82 3irs h PRO 88 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3irs h PRO 88 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3irs h PRO 88 CO 0.56 0.00 -0.57 -0.40 -0.23 0.00 0.00 178.00 177.36 3irs n ASP 89 N -2.53 1.71 -0.05 1.44 5.75 -1.26 -4.36 116.55 117.24 3irs n ASP 89 Ca -0.00 -1.33 -0.05 0.00 -0.01 0.00 0.00 54.79 53.39 3irs n ASP 89 Cb 0.13 0.55 -0.09 0.00 -1.03 0.00 0.00 41.12 40.69 3irs n ASP 89 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3irs n LYS 90 N -0.41 2.09 -4.62 0.11 4.76 -0.02 -4.73 118.16 115.34 3irs n LYS 90 Ca 0.08 -0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.29 3irs n LYS 90 Cb 0.43 -1.29 -0.15 0.00 -1.84 0.00 0.00 35.03 32.18 3irs n LYS 90 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3irs s PHE 91 N -2.30 1.24 -0.12 2.13 0.08 -0.57 -0.48 117.98 117.96 3irs s PHE 91 Ca -0.05 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 56.74 3irs s PHE 91 Cb 0.04 -0.81 -0.01 0.00 -0.57 0.00 0.00 43.02 41.66 3irs s PHE 91 CO 0.46 -0.05 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.38 3irs s HIS 92 N -0.22 2.77 0.18 0.36 3.76 -0.37 -4.75 115.29 117.02 3irs s HIS 92 Ca 0.03 -0.70 -0.23 0.00 -0.15 0.00 0.00 55.06 54.01 3irs s HIS 92 Cb -0.06 -1.82 -0.08 0.00 1.11 0.00 0.00 32.58 31.73 3irs s HIS 92 CO -0.00 -0.24 0.75 -1.25 -0.85 0.00 0.00 174.74 173.14 3irs s PRO 93 N 0.34 4.44 -0.10 8.40 0.04 -1.26 -0.15 135.00 146.70 3irs s PRO 93 Ca -0.12 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 3irs s PRO 93 Cb -0.16 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.28 3irs s PRO 93 CO 0.06 0.51 -0.06 0.08 0.04 0.00 0.00 177.00 177.64 3irs s VAL 94 N -1.28 0.89 0.66 -0.36 1.01 -0.79 -4.65 120.40 115.89 3irs s VAL 94 Ca 0.38 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 3irs s VAL 94 Cb -0.21 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3irs s VAL 94 CO 0.24 0.34 1.06 -0.83 0.00 0.00 0.00 175.10 175.91 3irs s GLY 95 N 1.71 1.85 0.08 4.51 0.00 -0.56 -1.12 107.32 113.80 3irs s GLY 95 Ca 0.04 0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.01 3irs s GLY 95 CO -0.07 0.54 -0.09 -1.35 0.00 0.00 0.00 173.10 172.13 3irs s SER 96 N -3.36 1.23 -0.02 1.64 1.04 -1.26 0.44 113.70 113.42 3irs s SER 96 Ca 0.60 -0.75 0.08 0.00 0.48 0.00 0.00 55.95 56.36 3irs s SER 96 Cb -0.15 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 3irs s SER 96 CO 0.48 -0.27 -0.25 -0.63 0.98 0.00 0.00 173.24 173.55 3irs s ILE 97 N -2.24 2.14 -0.15 -1.02 1.01 -1.20 -4.84 121.20 114.89 3irs s ILE 97 Ca 0.01 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 3irs s ILE 97 Cb -0.04 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.72 3irs s ILE 97 CO -0.01 0.56 -0.01 -0.70 0.00 0.00 0.00 174.94 174.78 3irs s GLU 98 N -0.67 1.01 0.08 2.79 2.12 -1.26 -4.66 118.70 118.11 3irs s GLU 98 Ca 0.10 -0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.13 3irs s GLU 98 Cb -0.10 -1.80 -0.03 0.00 0.26 0.00 0.00 34.13 32.46 3irs s GLU 98 CO -0.01 -0.46 -0.12 0.00 -0.54 0.00 0.00 175.26 174.13 3irs s ALA 99 N 1.78 1.11 -0.19 6.30 0.00 -1.26 -4.91 121.76 124.59 3irs s ALA 99 Ca 0.01 -1.08 0.18 0.00 0.00 0.00 0.00 51.96 51.07 3irs s ALA 99 Cb -0.15 -0.03 -0.25 0.00 0.00 0.00 0.00 23.12 22.69 3irs s ALA 99 CO -0.07 0.06 0.08 0.00 0.00 0.00 0.00 175.76 175.83 3irs n ALA 100 N 0.94 1.54 -2.36 0.00 0.00 -1.26 -4.77 120.51 114.60 3irs n ALA 100 Ca -0.19 -1.30 -0.19 0.00 0.00 0.00 0.00 53.44 51.77 3irs n ALA 100 Cb 0.56 -0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 3irs n ALA 100 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3irs s THR 101 N -2.51 1.47 0.33 0.00 -4.23 -1.26 -5.05 115.64 104.39 3irs s THR 101 Ca -0.10 -2.12 0.07 0.00 -1.18 0.00 0.00 61.69 58.36 3irs s THR 101 Cb 0.06 -2.25 0.09 0.00 1.34 0.00 0.00 72.50 71.74 3irs s THR 101 CO 0.82 -0.43 1.78 0.08 -0.54 0.00 0.00 174.62 176.33 3irs h ARG 102 N 2.45 0.28 -0.43 3.99 -0.00 -1.97 -2.06 114.38 116.65 3irs h ARG 102 Ca -0.39 -0.10 -0.10 0.00 -0.00 0.00 0.00 59.98 59.39 3irs h ARG 102 Cb 1.22 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 31.16 3irs h ARG 102 CO 0.65 0.54 -0.14 0.87 -0.00 0.00 0.00 179.97 181.89 3irs h LYS 103 N 0.25 0.78 -0.55 0.08 1.57 -1.97 -0.67 116.57 116.07 3irs h LYS 103 Ca 0.04 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 3irs h LYS 103 Cb 0.62 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3irs h LYS 103 CO 0.05 0.88 0.02 0.93 -0.57 0.00 0.00 179.45 180.76 3irs h GLU 104 N 0.70 0.92 -0.72 3.15 5.08 -1.91 -0.86 114.58 120.95 3irs h GLU 104 Ca 0.11 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3irs h GLU 104 Cb 0.63 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3irs h GLU 104 CO 0.04 0.90 0.24 0.00 -1.00 0.00 0.00 179.01 179.20 3irs h ALA 105 N 1.16 0.93 -0.12 3.43 0.00 -1.00 -1.99 119.26 121.66 3irs h ALA 105 Ca 0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3irs h ALA 105 Cb 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3irs h ALA 105 CO 0.02 0.60 -0.38 1.98 0.00 0.00 0.00 179.25 181.46 3irs h MET 106 N 1.04 0.48 -0.80 0.00 1.85 -0.89 -1.37 114.93 115.23 3irs h MET 106 Ca 0.23 -0.35 0.11 0.00 -0.61 0.00 0.00 59.70 59.08 3irs h MET 106 Cb 0.27 0.06 -0.08 0.00 0.43 0.00 0.00 31.60 32.29 3irs h MET 106 CO -0.01 0.97 0.43 0.00 -0.40 0.00 0.00 176.91 177.90 3irs h ALA 107 N 0.51 1.16 -0.33 0.39 0.00 -1.14 0.13 119.26 119.98 3irs h ALA 107 Ca -0.01 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3irs h ALA 107 Cb 1.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3irs h ALA 107 CO 0.08 0.01 -0.36 1.96 0.00 0.00 0.00 179.25 180.95 3irs h GLN 108 N 0.70 0.77 -0.82 0.00 4.20 -1.37 -1.84 115.11 116.75 3irs h GLN 108 Ca 0.40 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3irs h GLN 108 Cb 0.44 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 3irs h GLN 108 CO -0.28 1.01 0.35 1.98 -0.67 0.00 0.00 178.83 181.22 3irs h MET 109 N 0.64 1.21 -0.62 1.46 4.05 -0.43 -0.96 114.93 120.28 3irs h MET 109 Ca 0.06 -0.21 -0.10 0.00 -0.28 0.00 0.00 59.70 59.18 3irs h MET 109 Cb 0.91 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 3irs h MET 109 CO 0.08 0.96 0.01 0.37 0.23 0.00 0.00 176.91 178.56 3irs h GLN 110 N 1.19 1.08 -1.00 0.39 5.75 -0.70 -0.80 115.11 121.02 3irs h GLN 110 Ca 0.28 -0.34 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 3irs h GLN 110 Cb 0.18 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.58 3irs h GLN 110 CO -0.03 1.05 0.65 1.49 -2.65 0.00 0.00 178.83 179.35 3irs h GLU 111 N 0.99 1.23 -0.14 1.69 4.81 -1.00 0.59 114.58 122.75 3irs h GLU 111 Ca 0.18 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3irs h GLU 111 Cb 0.56 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3irs h GLU 111 CO 0.03 0.81 0.02 0.82 -0.73 0.00 0.00 179.01 179.96 3irs h ILE 112 N 1.27 1.23 -0.72 2.32 2.04 -0.63 -2.79 117.51 120.22 3irs h ILE 112 Ca 0.40 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3irs h ILE 112 Cb -0.01 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3irs h ILE 112 CO -0.12 0.22 0.44 -0.07 0.00 0.00 0.00 178.15 178.62 3irs h LEU 113 N 0.01 0.86 -2.24 1.44 3.38 -0.83 -2.37 115.31 115.57 3irs h LEU 113 Ca 0.04 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3irs h LEU 113 Cb 0.31 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3irs h LEU 113 CO 0.00 0.66 0.05 0.44 0.09 0.00 0.00 178.44 179.69 3irs h ASP 114 N 0.98 0.00 -0.07 -0.43 3.32 -0.83 -0.27 116.42 119.13 3irs h ASP 114 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3irs h ASP 114 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3irs h ASP 114 CO -0.05 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.65 3irs n LEU 115 N -4.13 0.70 -0.13 1.55 4.77 -0.92 -4.90 117.00 113.94 3irs n LEU 115 Ca -0.02 -0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 55.66 3irs n LEU 115 Cb 0.15 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3irs n LEU 115 CO 0.30 0.14 -0.02 0.61 -1.33 0.00 0.00 177.39 177.10 3irs n GLY 116 N 0.94 0.53 3.80 -0.72 0.00 -0.11 -4.96 105.19 104.67 3irs n GLY 116 Ca 0.15 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3irs n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irs s ILE 117 N -1.96 4.71 -0.00 -0.61 1.01 -1.03 -5.00 121.20 118.32 3irs s ILE 117 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 60.65 61.93 3irs s ILE 117 Cb 0.00 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3irs s ILE 117 CO 0.00 0.54 0.80 0.54 0.00 0.00 0.00 174.94 176.82 3irs n ARG 118 N 1.79 1.69 -4.39 2.79 5.12 -1.26 -3.96 116.66 118.43 3irs n ARG 118 Ca -0.10 -1.12 -0.19 0.00 -1.93 0.00 0.00 57.85 54.51 3irs n ARG 118 Cb 0.51 -0.80 -0.15 0.00 -1.16 0.00 0.00 32.46 30.85 3irs n ARG 118 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3irs s ILE 119 N -0.63 0.75 0.10 0.55 1.01 -1.26 -4.12 121.20 117.59 3irs s ILE 119 Ca 0.01 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.37 3irs s ILE 119 Cb 0.01 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3irs s ILE 119 CO 0.00 0.21 -0.26 0.54 0.00 0.00 0.00 174.94 175.43 3irs s VAL 120 N -0.17 2.26 -0.16 2.92 0.11 -1.01 -1.49 120.40 122.86 3irs s VAL 120 Ca 0.03 -1.63 -0.02 0.00 -2.93 0.00 0.00 61.98 57.43 3irs s VAL 120 Cb -0.04 -1.96 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 3irs s VAL 120 CO -0.00 0.18 -0.08 0.21 -3.33 0.00 0.00 175.10 172.07 3irs s ASN 121 N -1.80 4.31 -0.15 3.54 2.47 0.17 -0.64 114.94 122.84 3irs s ASN 121 Ca 0.13 -0.28 0.02 0.00 0.42 0.00 0.00 52.86 53.15 3irs s ASN 121 Cb -0.10 -1.69 0.01 0.00 -1.45 0.00 0.00 41.25 38.02 3irs s ASN 121 CO 0.05 0.13 -0.21 -0.76 -3.72 0.00 0.00 177.10 172.58 3irs s LEU 122 N 0.59 2.10 -0.52 3.21 1.43 0.12 -3.26 118.68 122.34 3irs s LEU 122 Ca -0.05 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 3irs s LEU 122 Cb -0.15 -1.44 0.31 0.00 0.03 0.00 0.00 46.19 44.94 3irs s LEU 122 CO 0.03 0.06 0.81 -0.62 0.23 0.00 0.00 176.35 176.86 3irs n GLU 123 N 4.21 2.29 0.16 1.70 1.02 -1.26 -1.81 120.64 126.95 3irs n GLU 123 Ca -0.20 -4.31 0.13 0.00 -0.02 0.00 0.00 57.16 52.76 3irs n GLU 123 Cb 0.51 -2.01 0.54 0.00 -0.02 0.00 0.00 31.44 30.46 3irs n GLU 123 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3irs h PRO 124 N 3.36 0.00 0.00 3.49 0.13 -1.87 -2.21 132.00 134.90 3irs h PRO 124 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3irs h PRO 124 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3irs h PRO 124 CO 0.71 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 3irs n GLY 125 N -0.01 -1.32 0.68 1.56 0.00 -1.08 -1.00 105.19 104.01 3irs n GLY 125 Ca 0.02 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3irs n GLY 125 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3irs n VAL 126 N -2.16 1.89 -1.96 1.61 0.24 -0.83 -3.94 118.33 113.19 3irs n VAL 126 Ca 0.03 -1.70 -0.29 0.00 -2.04 0.00 0.00 64.34 60.33 3irs n VAL 126 Cb 0.26 -0.05 0.05 0.00 -1.47 0.00 0.00 33.84 32.63 3irs n VAL 126 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3irs s TRP 127 N -2.35 3.24 0.35 6.34 0.51 -1.12 -3.03 118.94 122.88 3irs s TRP 127 Ca 0.34 0.93 0.03 0.00 -2.12 0.00 0.00 56.10 55.29 3irs s TRP 127 Cb 0.27 -3.11 0.67 0.00 -0.81 0.00 0.00 33.47 30.49 3irs s TRP 127 CO 0.09 -1.25 1.99 0.00 -0.51 0.00 0.00 176.95 177.27 3irs h ALA 128 N -0.67 1.60 -2.96 0.98 0.00 -1.92 -3.13 119.26 113.17 3irs h ALA 128 Ca -0.45 -0.04 -0.75 0.00 0.00 0.00 0.00 54.91 53.67 3irs h ALA 128 Cb 1.27 -0.23 -0.30 0.00 0.00 0.00 0.00 17.79 18.52 3irs h ALA 128 CO 0.64 0.33 -0.08 0.99 0.00 0.00 0.00 179.25 181.13 3irs s THR 129 N -5.71 4.83 0.20 0.00 2.01 -1.26 -5.08 115.64 110.63 3irs s THR 129 Ca -0.10 -2.76 -0.30 0.00 0.31 0.00 0.00 61.69 58.84 3irs s THR 129 Cb 0.18 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 3irs s THR 129 CO 0.77 -0.98 1.23 -2.84 -0.69 0.00 0.00 174.62 172.11 3irs s PRO 130 N -0.04 4.46 0.07 4.92 0.02 -1.18 -4.93 135.00 138.31 3irs s PRO 130 Ca 0.18 1.95 -0.01 0.00 0.02 0.00 0.00 61.00 63.14 3irs s PRO 130 Cb -0.14 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 3irs s PRO 130 CO -0.07 -0.13 -0.00 0.00 -0.33 0.00 0.00 177.00 176.46 3irs s MET 131 N -0.31 0.69 0.60 5.54 0.23 -0.17 -4.95 119.30 120.93 3irs s MET 131 Ca 0.54 -1.26 -0.15 0.00 -1.03 0.00 0.00 55.69 53.79 3irs s MET 131 Cb -0.34 0.22 -0.04 0.00 -1.53 0.00 0.00 34.83 33.14 3irs s MET 131 CO 0.38 -0.15 1.04 -1.01 -2.03 0.00 0.00 175.02 173.25 3irs s HIS 132 N -3.95 3.18 0.51 3.16 3.76 -1.26 -2.62 115.29 118.07 3irs s HIS 132 Ca 0.11 1.46 0.41 0.00 -0.15 0.00 0.00 55.06 56.89 3irs s HIS 132 Cb 0.08 -2.91 2.11 0.00 1.11 0.00 0.00 32.58 32.97 3irs s HIS 132 CO -0.07 -0.92 2.26 -0.39 -0.85 0.00 0.00 174.74 174.77 3irs h VAL 133 N 0.26 0.04 -0.66 -0.90 -1.51 -1.91 -1.95 116.25 109.62 3irs h VAL 133 Ca -0.46 -0.15 -0.13 0.00 -1.23 0.00 0.00 66.70 64.72 3irs h VAL 133 Cb 1.21 1.14 -0.08 0.00 -2.13 0.00 0.00 31.29 31.43 3irs h VAL 133 CO 0.59 0.01 0.16 -0.90 -1.23 0.00 0.00 177.57 176.20 3irs n ASP 134 N -3.13 5.10 -4.74 4.19 5.75 -1.26 -4.92 116.55 117.53 3irs n ASP 134 Ca -0.02 -3.13 -0.41 0.00 -0.01 0.00 0.00 54.79 51.21 3irs n ASP 134 Cb 0.14 -0.72 -0.02 0.00 -1.03 0.00 0.00 41.12 39.48 3irs n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3irs s ASP 135 N -1.01 6.69 0.35 -1.12 -1.08 -0.74 -4.89 116.67 114.87 3irs s ASP 135 Ca 0.55 2.61 0.16 0.00 -0.52 0.00 0.00 52.55 55.35 3irs s ASP 135 Cb 0.43 -2.62 1.11 0.00 -1.46 0.00 0.00 42.92 40.38 3irs s ASP 135 CO 0.14 -0.68 1.67 0.08 0.52 0.00 0.00 175.17 176.89 3irs h ARG 136 N 5.28 0.31 0.00 4.34 0.11 -1.93 -0.73 114.38 121.77 3irs h ARG 136 Ca -0.45 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 59.61 3irs h ARG 136 Cb 1.22 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 3irs h ARG 136 CO 0.79 0.21 -0.00 0.00 0.10 0.00 0.00 179.97 181.07 3irs h ARG 137 N 0.32 0.00 0.00 0.08 3.08 -1.97 -1.37 114.38 114.53 3irs h ARG 137 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.78 3irs h ARG 137 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.76 3irs h ARG 137 CO -0.57 0.00 -1.07 1.28 -1.07 0.00 0.00 179.97 178.54 3irs n LEU 138 N -3.10 0.61 -0.32 3.04 4.77 -0.28 -4.26 117.00 117.45 3irs n LEU 138 Ca -0.03 0.07 0.02 0.00 -0.03 0.00 0.00 56.01 56.05 3irs n LEU 138 Cb 0.09 -0.09 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 3irs n LEU 138 CO 0.21 -0.02 1.20 1.88 -1.33 0.00 0.00 177.39 179.33 3irs h TYR 139 N 0.00 1.01 -0.76 -1.77 -1.99 -1.26 -1.48 116.97 110.72 3irs h TYR 139 Ca 0.00 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.79 3irs h TYR 139 Cb 0.81 -0.32 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 3irs h TYR 139 CO 0.00 0.47 0.50 -1.35 -0.00 0.00 0.00 178.16 177.78 3irs h PRO 140 N 0.96 0.92 -0.33 4.88 0.11 -1.77 -0.69 132.00 136.08 3irs h PRO 140 Ca 0.41 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.43 3irs h PRO 140 Cb 0.26 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3irs h PRO 140 CO -0.21 0.61 0.09 1.25 -0.21 0.00 0.00 178.00 179.53 3irs h LEU 141 N 0.94 0.49 -0.93 2.35 5.85 -1.60 -1.93 115.31 120.48 3irs h LEU 141 Ca 0.30 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3irs h LEU 141 Cb 0.02 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3irs h LEU 141 CO -0.08 0.58 0.34 1.88 -0.34 0.00 0.00 178.44 180.82 3irs h TYR 142 N 0.37 1.12 -0.30 1.25 0.05 -0.95 -0.35 116.97 118.16 3irs h TYR 142 Ca 0.10 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.85 3irs h TYR 142 Cb 0.28 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 3irs h TYR 142 CO 0.01 0.83 0.11 0.00 -1.05 0.00 0.00 178.16 178.06 3irs h ALA 143 N 1.27 0.34 -0.46 3.88 0.00 -0.96 0.11 119.26 123.45 3irs h ALA 143 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3irs h ALA 143 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3irs h ALA 143 CO -0.03 -0.29 0.20 0.35 0.00 0.00 0.00 179.25 179.48 3irs h PHE 144 N 0.25 0.67 -0.57 0.00 3.57 -0.96 -1.65 116.94 118.25 3irs h PHE 144 Ca 0.13 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3irs h PHE 144 Cb 0.09 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3irs h PHE 144 CO -0.13 0.56 0.21 0.00 -2.23 0.00 0.00 178.31 176.72 3irs h GLU 146 N 0.79 0.57 0.00 0.00 4.81 -0.60 -0.96 114.58 119.18 3irs h GLU 146 Ca 0.19 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 3irs h GLU 146 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3irs h GLU 146 CO -0.01 0.49 -0.40 -0.44 -0.73 0.00 0.00 179.01 177.91 3irs h ASP 147 N 0.50 0.00 -0.54 1.04 3.32 -1.18 -3.12 116.42 116.44 3irs h ASP 147 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3irs h ASP 147 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3irs h ASP 147 CO -0.02 0.40 0.00 0.59 -1.72 0.00 0.00 179.24 178.49 3irs n ASN 148 N -3.82 4.23 -2.26 6.45 3.02 -0.54 -4.97 115.26 117.36 3irs n ASN 148 Ca -0.01 -2.40 -0.20 0.00 -0.03 0.00 0.00 54.58 51.93 3irs n ASN 148 Cb 0.47 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 3irs n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3irs n GLY 149 N 0.82 -0.07 3.59 7.41 0.00 -0.89 -1.57 105.19 114.48 3irs n GLY 149 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3irs n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irs s ILE 150 N -2.96 4.99 0.32 -0.61 1.01 -0.42 -2.71 121.20 120.83 3irs s ILE 150 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 3irs s ILE 150 Cb 0.00 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 3irs s ILE 150 CO 0.00 -0.11 1.28 -2.84 0.00 0.00 0.00 174.94 173.28 3irs s PRO 151 N 2.47 4.39 -0.20 2.79 0.02 -1.26 -4.59 135.00 138.62 3irs s PRO 151 Ca 0.22 2.16 -0.02 0.00 0.02 0.00 0.00 61.00 63.38 3irs s PRO 151 Cb -0.15 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3irs s PRO 151 CO 0.12 -0.14 -0.10 0.08 -0.33 0.00 0.00 177.00 176.63 3irs s VAL 152 N -1.10 2.90 0.03 3.83 1.01 -0.21 -2.41 120.40 124.44 3irs s VAL 152 Ca 0.49 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 3irs s VAL 152 Cb -0.39 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3irs s VAL 152 CO 0.51 0.47 0.73 -0.63 0.00 0.00 0.00 175.10 176.17 3irs s ILE 153 N 1.36 4.79 -0.02 2.22 1.01 0.19 -0.81 121.20 129.95 3irs s ILE 153 Ca 0.05 1.54 0.01 0.00 0.00 0.00 0.00 60.65 62.24 3irs s ILE 153 Cb -0.14 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.27 3irs s ILE 153 CO -0.06 0.37 -0.04 0.00 0.00 0.00 0.00 174.94 175.21 3irs s MET 154 N -0.01 0.46 -0.72 2.79 0.23 0.19 0.10 119.30 122.33 3irs s MET 154 Ca 0.37 -0.10 -0.26 0.00 -1.03 0.00 0.00 55.69 54.68 3irs s MET 154 Cb -0.20 -0.49 0.04 0.00 -1.53 0.00 0.00 34.83 32.65 3irs s MET 154 CO 0.21 0.01 1.19 1.41 -2.03 0.00 0.00 175.02 175.81 3irs s MET 155 N 0.37 3.18 -0.03 3.16 1.75 -0.75 -1.48 119.30 125.50 3irs s MET 155 Ca -0.04 -0.44 0.04 0.00 -1.25 0.00 0.00 55.69 54.00 3irs s MET 155 Cb -0.07 -4.22 0.06 0.00 2.84 0.00 0.00 34.83 33.44 3irs s MET 155 CO -0.00 -2.05 1.03 0.25 -0.65 0.00 0.00 175.02 173.60 3irs n THR 156 N 6.25 1.19 -4.41 10.11 -2.24 -1.21 -4.78 114.28 119.19 3irs n THR 156 Ca 0.02 -1.28 -0.20 0.00 -2.27 0.00 0.00 64.05 60.32 3irs n THR 156 Cb 0.48 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 3irs n THR 156 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3irs s GLY 157 N -1.41 1.88 0.00 3.38 0.00 -1.20 -4.14 107.32 105.83 3irs s GLY 157 Ca 0.07 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 42.84 3irs s GLY 157 CO 0.01 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 171.94 3irs n GLY 158 N -0.59 1.13 2.64 0.20 0.00 0.30 -3.71 105.19 105.16 3irs n GLY 158 Ca -0.03 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 3irs n GLY 158 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3irs n ASN 159 N 1.28 6.77 0.25 1.61 3.02 -1.26 -4.71 115.26 122.21 3irs n ASN 159 Ca 0.00 -3.11 0.14 0.00 -0.03 0.00 0.00 54.58 51.58 3irs n ASN 159 Cb 0.00 -1.42 0.54 0.00 -0.61 0.00 0.00 39.78 38.29 3irs n ASN 159 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3irs h ALA 160 N 5.12 1.00 -2.53 5.41 0.00 -1.87 -3.47 119.26 122.93 3irs h ALA 160 Ca 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 3irs h ALA 160 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3irs h ALA 160 CO 1.56 0.11 0.02 0.41 0.00 0.00 0.00 179.25 181.35 3irs n GLY 161 N 0.20 2.26 0.36 0.00 0.00 -1.26 -3.42 105.19 103.33 3irs n GLY 161 Ca 0.01 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 44.93 3irs n GLY 161 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3irs h PRO 162 N 0.00 0.38 -4.05 1.61 0.11 -1.91 -3.45 132.00 124.69 3irs h PRO 162 Ca -0.07 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.75 3irs h PRO 162 Cb 0.28 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.23 3irs h PRO 162 CO 0.09 0.25 -0.15 0.16 -0.21 0.00 0.00 178.00 178.14 3irs s ASP 163 N -6.16 0.92 0.32 -2.05 1.47 -1.26 -5.05 116.67 104.86 3irs s ASP 163 Ca -0.08 -1.49 0.25 0.00 1.18 0.00 0.00 52.55 52.41 3irs s ASP 163 Cb 0.20 0.69 1.15 0.00 -0.34 0.00 0.00 42.92 44.62 3irs s ASP 163 CO 0.75 -1.34 1.75 -0.29 0.68 0.00 0.00 175.17 176.72 3irs h ILE 164 N 2.08 0.00 0.00 2.11 2.10 -1.95 -1.70 117.51 120.15 3irs h ILE 164 Ca -0.28 -0.16 -0.00 0.00 1.08 0.00 0.00 64.86 65.50 3irs h ILE 164 Cb 1.24 0.83 -0.00 0.00 -1.09 0.00 0.00 36.82 37.80 3irs h ILE 164 CO 0.39 0.00 -0.02 0.71 -1.08 0.00 0.00 178.15 178.15 3irs h THR 165 N 0.00 0.07 0.00 2.19 1.35 -1.96 -0.69 112.91 113.87 3irs h THR 165 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3irs h THR 165 Cb 0.22 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3irs h THR 165 CO 0.00 0.02 0.00 -1.22 -0.25 0.00 0.00 175.52 174.07 3irs n TYR 166 N -3.15 0.00 0.04 4.73 4.01 -0.64 -2.32 117.16 119.82 3irs n TYR 166 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 3irs n TYR 166 Cb 0.21 -0.08 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 3irs n TYR 166 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3irs n THR 167 N -1.08 0.19 -1.68 -0.72 -2.24 -0.28 -4.70 114.28 103.77 3irs n THR 167 Ca 0.20 -0.59 -0.46 0.00 -2.27 0.00 0.00 64.05 60.93 3irs n THR 167 Cb 0.14 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 3irs n THR 167 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3irs n ASN 168 N -0.01 3.25 0.12 3.42 2.85 -0.98 -4.82 115.26 119.09 3irs n ASN 168 Ca 0.01 1.07 0.08 0.00 -0.11 0.00 0.00 54.58 55.63 3irs n ASN 168 Cb 0.08 -1.44 0.43 0.00 1.24 0.00 0.00 39.78 40.08 3irs n ASN 168 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3irs n PRO 169 N 3.80 0.11 0.04 1.20 -0.04 -1.26 -2.27 135.00 136.58 3irs n PRO 169 Ca 0.17 0.57 0.04 0.00 -0.04 0.00 0.00 63.50 64.24 3irs n PRO 169 Cb 0.30 -1.83 0.44 0.00 -0.04 0.00 0.00 33.50 32.37 3irs n PRO 169 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3irs h GLU 170 N 0.00 0.44 0.09 0.54 4.11 -1.96 -1.87 114.58 115.94 3irs h GLU 170 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 3irs h GLU 170 Cb 0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3irs h GLU 170 CO 0.00 0.33 -0.04 0.45 0.07 0.00 0.00 179.01 179.82 3irs h HIS 171 N 0.45 -0.12 -0.29 2.06 3.86 -1.82 -2.08 115.15 117.22 3irs h HIS 171 Ca 0.12 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 3irs h HIS 171 Cb 0.02 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 3irs h HIS 171 CO 0.00 0.26 -0.21 0.97 0.86 0.00 0.00 177.93 179.81 3irs h ILE 172 N -0.52 1.26 -0.75 2.45 2.10 -1.75 -2.93 117.51 117.37 3irs h ILE 172 Ca -0.01 -1.21 -0.06 0.00 1.08 0.00 0.00 64.86 64.66 3irs h ILE 172 Cb 0.43 1.27 -0.03 0.00 -1.09 0.00 0.00 36.82 37.40 3irs h ILE 172 CO 0.02 0.39 0.25 -0.78 -1.08 0.00 0.00 178.15 176.95 3irs h ASP 173 N 0.48 1.08 -0.40 2.19 3.58 -1.19 -1.12 116.42 121.04 3irs h ASP 173 Ca 0.08 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 3irs h ASP 173 Cb 0.63 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 3irs h ASP 173 CO 0.04 1.00 0.13 0.03 -2.88 0.00 0.00 179.24 177.56 3irs h ARG 174 N 1.11 0.62 -0.53 0.28 3.08 -1.28 -0.80 114.38 116.86 3irs h ARG 174 Ca 0.24 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.23 3irs h ARG 174 Cb 0.29 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 3irs h ARG 174 CO -0.01 0.61 0.20 0.28 -1.07 0.00 0.00 179.97 179.98 3irs h VAL 175 N 0.50 0.84 -0.49 2.04 2.07 -1.29 -1.00 116.25 118.91 3irs h VAL 175 Ca 0.13 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3irs h VAL 175 Cb 0.25 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3irs h VAL 175 CO -0.01 0.07 -0.16 -0.07 0.02 0.00 0.00 177.57 177.43 3irs h LEU 176 N 0.39 0.97 -0.58 2.57 3.38 -0.97 -1.01 115.31 120.06 3irs h LEU 176 Ca 0.25 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3irs h LEU 176 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3irs h LEU 176 CO -0.24 1.11 0.33 1.23 0.09 0.00 0.00 178.44 180.96 3irs h GLY 177 N 0.93 0.85 1.77 0.83 0.00 -0.92 -2.84 103.07 103.69 3irs h GLY 177 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3irs h GLY 177 CO 0.06 0.36 -0.22 -0.55 0.00 0.00 0.00 176.54 176.19 3irs h ASP 178 N 0.78 0.00 -2.08 0.19 3.32 -0.92 -3.36 116.42 114.35 3irs h ASP 178 Ca 0.21 -0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.66 3irs h ASP 178 Cb 0.01 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.16 3irs h ASP 178 CO -0.04 0.01 -0.91 0.49 -1.72 0.00 0.00 179.24 177.07 3irs n PHE 179 N -2.79 1.15 0.38 4.55 3.72 -0.40 -4.98 117.46 119.08 3irs n PHE 179 Ca 0.04 -3.79 0.11 0.00 -0.05 0.00 0.00 57.45 53.76 3irs n PHE 179 Cb 0.51 -0.43 0.49 0.00 -0.94 0.00 0.00 39.48 39.11 3irs n PHE 179 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3irs n PRO 180 N 1.21 0.18 -0.29 -1.08 -0.04 -1.08 -1.65 135.00 132.25 3irs n PRO 180 Ca 0.24 0.43 0.08 0.00 -0.04 0.00 0.00 63.50 64.22 3irs n PRO 180 Cb 0.48 -1.86 0.23 0.00 -0.04 0.00 0.00 33.50 32.32 3irs n PRO 180 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3irs n ASP 181 N -2.20 3.48 -4.66 3.54 8.00 -1.26 -4.63 116.55 118.82 3irs n ASP 181 Ca 0.02 -2.10 -0.41 0.00 0.71 0.00 0.00 54.79 53.01 3irs n ASP 181 Cb 0.21 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 3irs n ASP 181 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3irs s LEU 182 N -1.18 4.16 -0.17 0.64 2.96 -0.66 -4.92 118.68 119.52 3irs s LEU 182 Ca 0.35 1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.99 3irs s LEU 182 Cb 0.20 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 3irs s LEU 182 CO 0.22 -0.36 1.33 -0.89 -1.32 0.00 0.00 176.35 175.33 3irs s THR 183 N 2.10 4.15 -0.06 3.68 2.01 -1.26 -4.75 115.64 121.51 3irs s THR 183 Ca 0.34 1.38 0.04 0.00 0.31 0.00 0.00 61.69 63.77 3irs s THR 183 Cb -0.16 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 3irs s THR 183 CO 0.11 -0.17 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.99 3irs s VAL 184 N 3.73 1.67 -0.24 3.82 1.01 -0.74 -1.04 120.40 128.60 3irs s VAL 184 Ca 0.58 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3irs s VAL 184 Cb -0.23 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3irs s VAL 184 CO 0.18 0.47 0.00 -0.69 0.00 0.00 0.00 175.10 175.06 3irs s VAL 185 N 0.18 3.66 -0.49 2.92 1.01 0.01 -0.11 120.40 127.58 3irs s VAL 185 Ca -0.09 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 3irs s VAL 185 Cb -0.14 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.54 3irs s VAL 185 CO 0.04 0.34 0.98 -0.55 0.00 0.00 0.00 175.10 175.91 3irs s SER 186 N 1.51 6.48 0.30 3.32 0.15 -0.08 -0.64 113.70 124.73 3irs s SER 186 Ca 0.05 0.07 -0.28 0.00 0.70 0.00 0.00 55.95 56.50 3irs s SER 186 Cb -0.15 -2.47 -0.09 0.00 -1.71 0.00 0.00 66.02 61.60 3irs s SER 186 CO -0.01 -1.15 0.97 -0.94 1.20 0.00 0.00 173.24 173.31 3irs s SER 187 N 2.46 7.39 0.00 5.45 1.04 -0.55 -1.07 113.70 128.43 3irs s SER 187 Ca 0.38 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.75 3irs s SER 187 Cb -0.10 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3irs s SER 187 CO 0.26 -0.03 0.00 1.41 0.98 0.00 0.00 173.24 175.86 3irs n HIS 188 N 0.90 0.00 -2.15 5.02 8.25 0.01 -3.24 115.22 124.01 3irs n HIS 188 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.28 3irs n HIS 188 Cb 0.48 -1.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.25 3irs n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3irs n GLY 189 N -0.49 0.19 2.45 -1.41 0.00 -0.93 -1.66 105.19 103.33 3irs n GLY 189 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3irs n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3irs n ASN 190 N -1.71 -4.96 -4.75 1.61 5.15 -1.26 -4.83 115.26 104.51 3irs n ASN 190 Ca -0.21 0.46 -0.41 0.00 -0.60 0.00 0.00 54.58 53.82 3irs n ASN 190 Cb 0.65 -4.41 0.01 0.00 -0.53 0.00 0.00 39.78 35.50 3irs n ASN 190 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 3irs n TRP 191 N -2.24 2.67 1.49 1.20 -0.00 -0.67 -1.75 117.44 118.14 3irs n TRP 191 Ca -0.19 0.47 0.14 0.00 -0.00 0.00 0.00 57.50 57.92 3irs n TRP 191 Cb 0.62 -2.47 0.53 0.00 -0.00 0.00 0.00 31.31 29.98 3irs n TRP 191 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3irs n PRO 192 N 0.24 1.64 -1.52 5.87 -0.04 -1.26 -0.54 135.00 139.39 3irs n PRO 192 Ca 0.04 -0.93 -0.39 0.00 -0.04 0.00 0.00 63.50 62.17 3irs n PRO 192 Cb 0.39 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3irs n PRO 192 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3irs n TRP 193 N 0.13 2.54 -0.03 0.54 7.02 -0.72 -4.71 117.44 122.21 3irs n TRP 193 Ca 0.19 -3.02 -0.15 0.00 -1.02 0.00 0.00 57.50 53.50 3irs n TRP 193 Cb 0.34 -2.34 -0.12 0.00 -2.42 0.00 0.00 31.31 26.77 3irs n TRP 193 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3irs h VAL 194 N 2.98 1.60 -0.87 -0.99 2.07 -1.91 0.60 116.25 119.73 3irs h VAL 194 Ca 0.81 -2.02 0.17 0.00 0.82 0.00 0.00 66.70 66.49 3irs h VAL 194 Cb 0.31 2.91 -0.11 0.00 -1.52 0.00 0.00 31.29 32.89 3irs h VAL 194 CO 1.72 0.54 0.42 1.56 0.02 0.00 0.00 177.57 181.83 3irs h GLN 195 N -0.63 0.52 -0.02 1.57 4.20 -1.95 -1.62 115.11 117.18 3irs h GLN 195 Ca -0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3irs h GLN 195 Cb 0.99 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 3irs h GLN 195 CO 0.04 0.35 -0.00 0.93 -0.67 0.00 0.00 178.83 179.47 3irs h GLU 196 N 0.54 0.03 0.00 1.46 3.07 -1.90 -3.16 114.58 114.61 3irs h GLU 196 Ca 0.50 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.30 3irs h GLU 196 Cb 0.81 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 3irs h GLU 196 CO -0.42 0.34 -0.25 0.97 -1.40 0.00 0.00 179.01 178.24 3irs h ILE 197 N -0.29 1.02 -0.43 3.13 6.09 -0.41 -1.51 117.51 125.11 3irs h ILE 197 Ca 0.00 -0.91 -0.01 0.00 -1.37 0.00 0.00 64.86 62.57 3irs h ILE 197 Cb 0.33 1.51 -0.02 0.00 0.47 0.00 0.00 36.82 39.11 3irs h ILE 197 CO 0.00 0.25 0.21 0.40 -3.07 0.00 0.00 178.15 175.94 3irs h ILE 198 N 0.00 1.17 -0.47 2.19 1.08 -1.32 0.13 117.51 120.29 3irs h ILE 198 Ca -0.00 -0.48 0.07 0.00 -0.39 0.00 0.00 64.86 64.05 3irs h ILE 198 Cb 0.49 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 3irs h ILE 198 CO 0.03 0.19 0.16 -0.74 -0.69 0.00 0.00 178.15 177.10 3irs h HIS 199 N 0.55 0.27 -0.39 1.37 -0.00 -1.41 0.52 115.15 116.07 3irs h HIS 199 Ca 0.15 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.56 3irs h HIS 199 Cb 0.10 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 3irs h HIS 199 CO -0.01 0.08 0.24 0.28 -0.00 0.00 0.00 177.93 178.52 3irs h VAL 200 N 0.32 1.06 -0.60 5.26 2.07 -0.69 -0.05 116.25 123.62 3irs h VAL 200 Ca 0.23 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 3irs h VAL 200 Cb 0.25 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3irs h VAL 200 CO -0.24 0.09 0.07 0.00 0.02 0.00 0.00 177.57 177.50 3irs h ALA 201 N 1.16 0.98 -0.79 1.67 0.00 -0.51 0.25 119.26 122.04 3irs h ALA 201 Ca 0.15 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3irs h ALA 201 Cb -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3irs h ALA 201 CO -0.06 0.63 0.51 0.35 0.00 0.00 0.00 179.25 180.69 3irs h PHE 202 N 0.93 0.97 0.14 0.00 3.57 -0.45 -3.15 116.94 118.95 3irs h PHE 202 Ca 0.18 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.42 3irs h PHE 202 Cb 0.45 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 38.87 3irs h PHE 202 CO 0.03 0.59 -1.33 -0.09 -2.23 0.00 0.00 178.31 175.27 3irs h ARG 203 N 1.03 0.30 -4.11 1.11 2.43 -0.39 -3.43 114.38 111.31 3irs h ARG 203 Ca 0.30 -0.51 -0.71 0.00 -0.81 0.00 0.00 59.98 58.25 3irs h ARG 203 Cb -0.06 0.19 -0.33 0.00 -0.42 0.00 0.00 29.97 29.35 3irs h ARG 203 CO -0.08 1.22 -0.41 1.03 -1.51 0.00 0.00 179.97 180.22 3irs s ARG 204 N -2.64 2.40 0.00 0.20 1.81 0.84 -4.96 118.95 116.60 3irs s ARG 204 Ca -0.06 -2.07 0.18 0.00 -1.72 0.00 0.00 55.73 52.06 3irs s ARG 204 Cb 0.07 -3.78 0.89 0.00 -0.45 0.00 0.00 34.95 31.68 3irs s ARG 204 CO 0.88 -1.15 1.54 -0.35 -0.68 0.00 0.00 175.30 175.54 3irs n PRO 205 N 4.29 0.23 0.00 3.54 -0.04 -1.26 -2.09 135.00 139.68 3irs n PRO 205 Ca 0.00 0.12 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 3irs n PRO 205 Cb 0.40 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.86 3irs n PRO 205 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3irs n ASN 206 N -1.30 1.19 -4.72 3.54 6.94 -1.26 -4.90 115.26 114.74 3irs n ASN 206 Ca 0.08 -1.19 -0.38 0.00 -0.02 0.00 0.00 54.58 53.07 3irs n ASN 206 Cb 0.15 0.04 -0.06 0.00 -2.36 0.00 0.00 39.78 37.55 3irs n ASN 206 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3irs s LEU 207 N -2.22 4.27 -0.09 -4.53 2.96 -0.89 -1.79 118.68 116.39 3irs s LEU 207 Ca 0.33 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 3irs s LEU 207 Cb 0.20 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 3irs s LEU 207 CO 0.41 -0.01 -0.08 -0.31 -1.32 0.00 0.00 176.35 175.04 3irs s TYR 208 N 0.69 2.92 -0.17 5.38 2.02 0.84 -4.89 117.35 124.14 3irs s TYR 208 Ca 0.26 -0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.74 3irs s TYR 208 Cb -0.15 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3irs s TYR 208 CO 0.10 0.17 0.11 -0.51 -1.57 0.00 0.00 175.55 173.86 3irs s LEU 209 N -0.41 4.14 -0.54 -1.29 1.43 0.56 -0.91 118.68 121.66 3irs s LEU 209 Ca 0.06 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 3irs s LEU 209 Cb -0.12 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.22 3irs s LEU 209 CO 0.02 0.25 0.40 -0.55 0.23 0.00 0.00 176.35 176.71 3irs s SER 210 N -0.07 2.94 0.60 2.29 0.15 -0.23 -1.29 113.70 118.09 3irs s SER 210 Ca 0.09 -3.40 0.35 0.00 0.70 0.00 0.00 55.95 53.69 3irs s SER 210 Cb -0.12 -0.96 1.90 0.00 -1.71 0.00 0.00 66.02 65.13 3irs s SER 210 CO 0.00 -0.14 2.23 1.55 1.20 0.00 0.00 173.24 178.08 3irs h PRO 211 N 5.56 0.00 0.00 5.44 0.13 -1.80 0.18 132.00 141.51 3irs h PRO 211 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3irs h PRO 211 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3irs h PRO 211 CO 0.52 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 3irs n ASP 212 N -3.47 0.00 0.04 1.44 5.68 -1.26 -1.35 116.55 117.62 3irs n ASP 212 Ca -0.02 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.39 3irs n ASP 212 Cb 0.14 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 40.70 3irs n ASP 212 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3irs h MET 213 N 0.00 0.19 -0.01 0.11 -0.00 -1.75 -2.21 114.93 111.27 3irs h MET 213 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3irs h MET 213 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.56 3irs h MET 213 CO 0.00 0.13 -0.01 0.66 -0.00 0.00 0.00 176.91 177.69 3irs n TYR 214 N -4.46 0.00 0.27 -0.10 4.01 -0.45 -2.44 117.16 113.98 3irs n TYR 214 Ca 0.06 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.95 3irs n TYR 214 Cb 0.34 -0.02 0.50 0.00 -0.31 0.00 0.00 39.34 39.86 3irs n TYR 214 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3irs h LEU 215 N 0.87 0.00 -8.54 7.72 5.85 -1.46 -3.42 115.31 116.32 3irs h LEU 215 Ca 0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 3irs h LEU 215 Cb 0.21 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3irs h LEU 215 CO 0.00 0.00 1.01 -0.47 -0.34 0.00 0.00 178.44 178.64 3irs s TYR 216 N -3.49 2.50 -1.48 1.25 5.04 -1.02 -4.29 117.35 115.85 3irs s TYR 216 Ca 0.03 0.35 -0.10 0.00 -2.44 0.00 0.00 57.07 54.91 3irs s TYR 216 Cb 0.08 -4.52 0.06 0.00 0.35 0.00 0.00 41.96 37.93 3irs s TYR 216 CO 0.58 -1.74 0.91 -1.71 -1.34 0.00 0.00 175.55 172.26 3irs n ASN 217 N 8.80 -3.94 -4.22 4.32 5.15 -1.26 -4.97 115.26 119.14 3irs n ASN 217 Ca 0.08 -0.79 -0.13 0.00 -0.60 0.00 0.00 54.58 53.15 3irs n ASN 217 Cb 0.49 -3.92 -0.10 0.00 -0.53 0.00 0.00 39.78 35.72 3irs n ASN 217 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3irs s LEU 218 N -7.15 2.15 0.37 1.20 1.43 -1.26 -5.10 118.68 110.33 3irs s LEU 218 Ca 0.51 -1.15 -0.26 0.00 -1.03 0.00 0.00 54.13 52.19 3irs s LEU 218 Cb -0.25 -0.02 -0.11 0.00 0.03 0.00 0.00 46.19 45.83 3irs s LEU 218 CO 0.83 -0.57 1.19 -2.65 0.23 0.00 0.00 176.35 175.38 3irs n PRO 219 N -0.19 1.81 0.00 1.29 -0.02 -1.26 -2.13 135.00 134.50 3irs n PRO 219 Ca -0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3irs n PRO 219 Cb 0.63 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3irs n PRO 219 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3irs n GLY 220 N 0.92 1.63 0.32 -1.23 0.00 -1.26 -4.93 105.19 100.64 3irs n GLY 220 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3irs n GLY 220 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3irs h HIS 221 N 0.00 -0.85 -0.13 1.61 6.17 -1.72 -0.34 115.15 119.89 3irs h HIS 221 Ca 0.00 0.05 -0.05 0.00 0.71 0.00 0.00 60.37 61.08 3irs h HIS 221 Cb 0.00 0.41 -0.01 0.00 2.52 0.00 0.00 27.41 30.33 3irs h HIS 221 CO 0.00 -0.38 -0.15 0.00 0.71 0.00 0.00 177.93 178.11 3irs h ALA 222 N 0.64 1.52 -0.50 5.26 0.00 -1.92 -2.29 119.26 121.97 3irs h ALA 222 Ca 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3irs h ALA 222 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3irs h ALA 222 CO -0.44 0.35 0.10 -0.44 0.00 0.00 0.00 179.25 178.82 3irs h ASP 223 N 0.19 0.77 -0.48 0.00 3.32 -1.54 -0.33 116.42 118.35 3irs h ASP 223 Ca 0.04 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 3irs h ASP 223 Cb 0.39 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3irs h ASP 223 CO 0.02 0.82 0.16 -0.26 -1.72 0.00 0.00 179.24 178.26 3irs h PHE 224 N 0.69 0.76 -0.22 4.55 0.04 -0.81 -1.78 116.94 120.17 3irs h PHE 224 Ca 0.15 -0.07 -0.16 0.00 2.80 0.00 0.00 57.97 60.69 3irs h PHE 224 Cb 0.36 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3irs h PHE 224 CO 0.02 0.66 -0.53 0.82 -0.60 0.00 0.00 178.31 178.69 3irs h ILE 225 N 0.64 1.31 -0.64 -0.55 1.08 -1.33 0.55 117.51 118.56 3irs h ILE 225 Ca 0.16 -1.75 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 3irs h ILE 225 Cb 0.25 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.67 3irs h ILE 225 CO -0.01 0.55 0.41 -0.61 -0.69 0.00 0.00 178.15 177.81 3irs h GLN 226 N 0.49 0.85 -0.46 2.37 4.15 -0.94 -2.29 115.11 119.28 3irs h GLN 226 Ca 0.02 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 3irs h GLN 226 Cb 1.08 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 3irs h GLN 226 CO 0.10 0.57 -0.14 0.00 -1.93 0.00 0.00 178.83 177.44 3irs h ALA 227 N 1.22 0.64 -0.83 3.38 0.00 -0.99 -2.95 119.26 119.74 3irs h ALA 227 Ca 0.23 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3irs h ALA 227 Cb -0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 3irs h ALA 227 CO -0.05 0.56 0.54 0.00 0.00 0.00 0.00 179.25 180.30 3irs h ALA 228 N 0.87 1.65 0.00 0.00 0.00 -0.66 0.29 119.26 121.41 3irs h ALA 228 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3irs h ALA 228 Cb 0.69 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3irs h ALA 228 CO 0.05 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.59 3irs n ASN 229 N -4.50 0.00 0.00 0.00 3.02 -0.88 -3.18 115.26 109.71 3irs n ASN 229 Ca 0.13 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 3irs n ASN 229 Cb 0.27 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3irs n ASN 229 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3irs n SER 230 N -1.43 0.00 0.30 6.41 2.88 -0.17 -4.95 113.62 116.66 3irs n SER 230 Ca 0.09 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.81 3irs n SER 230 Cb 0.29 0.00 0.97 0.00 -0.75 0.00 0.00 64.21 64.72 3irs n SER 230 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3irs h PHE 231 N 0.00 0.00 -0.34 0.66 -5.15 -1.85 -2.76 116.94 107.50 3irs h PHE 231 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3irs h PHE 231 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3irs h PHE 231 CO 0.00 0.03 0.00 -0.11 -2.00 0.00 0.00 178.31 176.23 3irs n LEU 232 N -3.33 2.51 -0.34 2.10 7.94 -0.09 -4.27 117.00 121.53 3irs n LEU 232 Ca -0.02 -1.13 0.15 0.00 -1.11 0.00 0.00 56.01 53.90 3irs n LEU 232 Cb 0.15 -0.22 0.37 0.00 0.53 0.00 0.00 43.42 44.26 3irs n LEU 232 CO 0.25 0.56 1.20 0.00 -1.11 0.00 0.00 177.39 178.29 3irs h ALA 233 N 4.15 1.81 -0.01 1.96 0.00 -1.45 -0.86 119.26 124.86 3irs h ALA 233 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3irs h ALA 233 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3irs h ALA 233 CO 0.00 -0.20 -0.02 -0.25 0.00 0.00 0.00 179.25 178.78 3irs n ASP 234 N -4.74 1.46 -0.24 0.00 8.00 -1.26 -4.29 116.55 115.48 3irs n ASP 234 Ca 0.24 -1.45 0.02 0.00 0.71 0.00 0.00 54.79 54.31 3irs n ASP 234 Cb 0.65 0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.78 3irs n ASP 234 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3irs n ARG 235 N 0.10 0.54 -4.47 -1.24 1.74 -0.37 -4.88 116.66 108.08 3irs n ARG 235 Ca 0.18 -1.22 -0.32 0.00 -0.77 0.00 0.00 57.85 55.73 3irs n ARG 235 Cb 0.35 -0.74 -0.11 0.00 -1.02 0.00 0.00 32.46 30.95 3irs n ARG 235 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3irs s MET 236 N -0.64 2.51 -0.12 5.56 1.75 -0.92 -0.32 119.30 127.11 3irs s MET 236 Ca 0.06 -0.75 0.00 0.00 -1.25 0.00 0.00 55.69 53.75 3irs s MET 236 Cb 0.05 -2.47 0.02 0.00 2.84 0.00 0.00 34.83 35.27 3irs s MET 236 CO 0.01 0.60 -0.12 -0.51 -0.65 0.00 0.00 175.02 174.35 3irs s LEU 237 N -1.43 1.49 0.39 4.11 1.43 -0.41 -4.39 118.68 119.86 3irs s LEU 237 Ca 0.17 -0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 3irs s LEU 237 Cb -0.11 -1.01 -0.10 0.00 0.03 0.00 0.00 46.19 45.00 3irs s LEU 237 CO 0.07 -0.07 1.47 0.12 0.23 0.00 0.00 176.35 178.18 3irs s PHE 238 N 1.45 2.58 -0.19 0.29 5.36 -0.09 -4.56 117.98 122.81 3irs s PHE 238 Ca 0.02 1.20 -0.29 0.00 -0.96 0.00 0.00 56.93 56.90 3irs s PHE 238 Cb -0.13 -3.99 0.12 0.00 -0.34 0.00 0.00 43.02 38.68 3irs s PHE 238 CO -0.08 -2.94 0.99 0.20 -1.46 0.00 0.00 175.22 171.94 3irs s GLY 239 N -0.23 -0.24 -0.04 13.12 0.00 -1.26 -0.89 107.32 117.78 3irs s GLY 239 Ca 0.54 2.20 0.18 0.00 0.00 0.00 0.00 44.72 47.65 3irs s GLY 239 CO 0.61 1.28 0.53 -1.30 0.00 0.00 0.00 173.10 174.23 3irs n THR 240 N 1.21 1.01 -1.57 0.90 -2.24 -1.26 -4.25 114.28 108.09 3irs n THR 240 Ca -0.11 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.81 3irs n THR 240 Cb 0.57 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 3irs n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3irs n ALA 241 N -2.47 -0.27 -1.58 6.98 0.00 -0.53 -3.95 120.51 118.69 3irs n ALA 241 Ca -0.15 0.23 -0.47 0.00 0.00 0.00 0.00 53.44 53.05 3irs n ALA 241 Cb 0.88 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 3irs n ALA 241 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3irs n TYR 242 N -2.78 1.25 1.84 0.00 9.36 -0.95 -0.21 117.16 125.67 3irs n TYR 242 Ca -0.16 0.69 0.08 0.00 3.32 0.00 0.00 57.90 61.84 3irs n TYR 242 Cb 0.52 -2.26 0.43 0.00 -0.63 0.00 0.00 39.34 37.41 3irs n TYR 242 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3irs n PRO 243 N 1.26 1.14 0.09 2.98 -0.04 -1.26 -1.58 135.00 137.59 3irs n PRO 243 Ca 0.12 -0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.38 3irs n PRO 243 Cb 0.28 -1.27 0.35 0.00 -0.04 0.00 0.00 33.50 32.83 3irs n PRO 243 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3irs h MET 244 N 0.42 0.30 -5.83 0.54 2.86 -0.89 -3.43 114.93 108.89 3irs h MET 244 Ca 0.00 -0.07 -0.56 0.00 -2.06 0.00 0.00 59.70 57.00 3irs h MET 244 Cb 0.09 -0.04 -0.28 0.00 0.06 0.00 0.00 31.60 31.43 3irs h MET 244 CO 0.00 0.44 -0.84 0.00 1.06 0.00 0.00 176.91 177.57 3irs s PRO 246 N -0.64 4.12 0.13 0.00 0.04 -1.26 -4.06 135.00 133.33 3irs s PRO 246 Ca 0.07 2.19 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 3irs s PRO 246 Cb -0.08 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 3irs s PRO 246 CO -0.00 -0.38 1.64 -0.07 0.04 0.00 0.00 177.00 178.23 3irs h LEU 247 N 2.95 0.62 0.57 -3.56 3.38 -1.97 -2.79 115.31 114.51 3irs h LEU 247 Ca -0.49 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 3irs h LEU 247 Cb 1.24 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.83 3irs h LEU 247 CO 0.64 0.68 -0.27 0.50 0.09 0.00 0.00 178.44 180.08 3irs h LYS 248 N 0.53 -0.74 -0.20 1.13 3.64 -1.93 -2.11 116.57 116.88 3irs h LYS 248 Ca 0.13 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 3irs h LYS 248 Cb 0.30 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3irs h LYS 248 CO 0.00 -0.43 -0.40 0.93 -2.27 0.00 0.00 179.45 177.28 3irs h GLU 249 N -1.09 0.47 -0.09 1.90 3.07 -1.98 -0.46 114.58 116.39 3irs h GLU 249 Ca -0.08 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 3irs h GLU 249 Cb 0.64 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3irs h GLU 249 CO 0.13 0.79 0.01 -0.92 -1.40 0.00 0.00 179.01 177.61 3irs h TYR 250 N 0.39 0.17 -0.50 4.33 3.20 -1.57 -2.05 116.97 120.94 3irs h TYR 250 Ca 0.04 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3irs h TYR 250 Cb 0.87 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3irs h TYR 250 CO 0.03 0.40 -0.13 1.15 -1.64 0.00 0.00 178.16 177.96 3irs h THR 251 N -0.11 1.27 -0.53 1.81 2.02 -1.16 0.15 112.91 116.37 3irs h THR 251 Ca 0.03 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 3irs h THR 251 Cb 0.33 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3irs h THR 251 CO 0.00 0.45 0.20 -0.33 0.37 0.00 0.00 175.52 176.21 3irs h GLU 252 N 0.84 0.80 -0.42 6.66 5.08 -1.14 -0.69 114.58 125.70 3irs h GLU 252 Ca 0.13 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3irs h GLU 252 Cb 0.70 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3irs h GLU 252 CO 0.05 0.71 0.27 2.35 -1.00 0.00 0.00 179.01 181.39 3irs h TRP 253 N 0.72 0.53 -0.88 4.33 7.01 -1.10 -3.00 115.95 123.56 3irs h TRP 253 Ca 0.17 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.22 3irs h TRP 253 Cb 0.22 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.04 3irs h TRP 253 CO 0.01 0.34 0.57 0.35 -2.79 0.00 0.00 178.44 176.92 3irs h PHE 254 N 0.56 1.06 0.00 2.65 3.57 -0.29 -2.82 116.94 121.68 3irs h PHE 254 Ca 0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3irs h PHE 254 Cb -0.05 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.33 3irs h PHE 254 CO -0.04 0.60 0.00 -0.07 -2.23 0.00 0.00 178.31 176.57 3irs h LEU 255 N 1.10 0.00 -2.31 0.59 3.38 -0.99 -2.07 115.31 115.01 3irs h LEU 255 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3irs h LEU 255 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3irs h LEU 255 CO -0.12 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.76 3irs n THR 256 N -2.89 0.65 -2.32 0.22 -2.24 -1.06 -4.97 114.28 101.66 3irs n THR 256 Ca -0.00 -0.79 -0.35 0.00 -2.27 0.00 0.00 64.05 60.65 3irs n THR 256 Cb 0.22 0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 3irs n THR 256 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3irs s LEU 257 N -1.29 3.77 -1.15 3.22 1.43 -0.78 -4.91 118.68 118.97 3irs s LEU 257 Ca 0.41 2.11 -0.18 0.00 -1.03 0.00 0.00 54.13 55.44 3irs s LEU 257 Cb 0.23 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3irs s LEU 257 CO 0.31 -1.11 2.06 -0.81 0.23 0.00 0.00 176.35 177.03 3irs n PRO 258 N -1.24 2.25 -4.46 1.29 -0.04 -1.26 -4.87 135.00 126.67 3irs n PRO 258 Ca 0.11 -2.32 -0.32 0.00 -0.04 0.00 0.00 63.50 60.93 3irs n PRO 258 Cb 0.51 -3.17 -0.16 0.00 -0.04 0.00 0.00 33.50 30.64 3irs n PRO 258 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3irs s ILE 259 N 4.40 1.97 0.38 0.52 1.01 -1.26 -4.93 121.20 123.29 3irs s ILE 259 Ca 0.53 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 60.00 3irs s ILE 259 Cb 0.13 -1.76 -0.11 0.00 0.01 0.00 0.00 42.46 40.73 3irs s ILE 259 CO 0.02 0.53 1.31 2.29 0.00 0.00 0.00 174.94 179.09 3irs n LYS 260 N 4.28 2.12 -0.32 2.79 2.85 -1.26 -4.53 118.16 124.09 3irs n LYS 260 Ca -0.20 0.75 0.19 0.00 -1.05 0.00 0.00 58.31 58.00 3irs n LYS 260 Cb 0.51 -2.41 0.45 0.00 -0.65 0.00 0.00 35.03 32.93 3irs n LYS 260 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3irs h PRO 261 N 2.40 0.50 0.00 -1.58 0.11 -1.99 0.32 132.00 131.76 3irs h PRO 261 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3irs h PRO 261 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3irs h PRO 261 CO 0.62 0.33 -0.42 0.38 -0.21 0.00 0.00 178.00 178.69 3irs h ASP 262 N 0.51 0.00 0.54 -2.05 2.03 -2.00 -0.67 116.42 114.77 3irs h ASP 262 Ca 0.57 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.58 3irs h ASP 262 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3irs h ASP 262 CO -0.31 0.42 -1.35 0.00 -1.03 0.00 0.00 179.24 176.97 3irs h ALA 263 N 1.58 0.12 -0.85 4.15 0.00 -1.39 -3.24 119.26 119.63 3irs h ALA 263 Ca -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 3irs h ALA 263 Cb 0.99 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3irs h ALA 263 CO 0.05 0.99 0.45 1.98 0.00 0.00 0.00 179.25 182.73 3irs h MET 264 N 0.08 1.19 -0.46 0.00 -1.53 -0.20 -1.66 114.93 112.35 3irs h MET 264 Ca -0.18 -0.15 -0.09 0.00 -3.44 0.00 0.00 59.70 55.84 3irs h MET 264 Cb 2.01 -0.23 -0.02 0.00 -0.55 0.00 0.00 31.60 32.81 3irs h MET 264 CO 0.20 0.89 -0.06 1.05 0.14 0.00 0.00 176.91 179.12 3irs h GLU 265 N 1.20 0.85 -0.67 0.39 4.11 -1.24 -1.77 114.58 117.44 3irs h GLU 265 Ca 0.30 -0.30 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3irs h GLU 265 Cb 0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3irs h GLU 265 CO -0.04 0.93 0.31 0.87 0.07 0.00 0.00 179.01 181.15 3irs h LYS 266 N 0.69 0.98 0.11 1.06 1.57 -1.54 -1.18 116.57 118.26 3irs h LYS 266 Ca 0.12 -0.15 -0.27 0.00 -1.87 0.00 0.00 60.65 58.48 3irs h LYS 266 Cb 0.59 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.74 3irs h LYS 266 CO 0.04 0.79 -1.19 0.82 -0.57 0.00 0.00 179.45 179.33 3irs h ILE 267 N 0.94 1.42 -0.04 1.86 2.04 -1.22 0.99 117.51 123.50 3irs h ILE 267 Ca 0.23 -2.79 -0.15 0.00 1.00 0.00 0.00 64.86 63.15 3irs h ILE 267 Cb 0.14 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3irs h ILE 267 CO -0.03 0.82 -0.65 -0.07 0.00 0.00 0.00 178.15 178.23 3irs h LEU 268 N 0.15 0.20 0.00 1.44 3.38 -1.33 -0.21 115.31 118.94 3irs h LEU 268 Ca -0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3irs h LEU 268 Cb 1.88 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.57 3irs h LEU 268 CO 0.21 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.53 3irs n HIS 269 N -3.82 0.00 -0.34 1.13 1.44 -0.55 0.20 115.22 113.28 3irs n HIS 269 Ca -0.02 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.71 3irs n HIS 269 Cb 0.65 0.00 0.17 0.00 0.12 0.00 0.00 29.99 30.92 3irs n HIS 269 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 3irs h GLY 270 N 0.00 1.44 1.34 -1.39 0.00 -0.46 0.08 103.07 104.08 3irs h GLY 270 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 47.33 46.68 3irs h GLY 270 CO 0.00 0.29 -0.81 3.43 0.00 0.00 0.00 176.54 179.45 3irs h ASN 271 N 1.07 0.77 -0.49 0.19 2.35 0.73 -2.57 115.58 117.64 3irs h ASN 271 Ca 0.42 -0.53 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3irs h ASN 271 Cb 0.20 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3irs h ASN 271 CO -0.18 1.31 0.02 0.00 -1.65 0.00 0.00 177.43 176.93 3irs h ALA 272 N 0.67 0.66 -0.21 -0.83 0.00 -1.65 -2.27 119.26 115.62 3irs h ALA 272 Ca -0.06 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3irs h ALA 272 Cb 1.42 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3irs h ALA 272 CO 0.16 0.44 0.04 0.93 0.00 0.00 0.00 179.25 180.81 3irs h GLU 273 N 0.71 0.11 -0.30 0.00 5.08 -0.99 0.56 114.58 119.76 3irs h GLU 273 Ca 0.14 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3irs h GLU 273 Cb 0.48 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3irs h GLU 273 CO 0.02 0.08 0.18 -0.09 -1.00 0.00 0.00 179.01 178.19 3irs h ARG 274 N 0.12 0.35 -0.55 2.33 2.43 -1.41 -1.07 114.38 116.58 3irs h ARG 274 Ca 0.10 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3irs h ARG 274 Cb 0.10 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3irs h ARG 274 CO -0.13 0.23 0.31 1.25 -1.51 0.00 0.00 179.97 180.13 3irs h LEU 275 N 0.36 0.68 -1.09 3.80 6.46 -1.20 -0.06 115.31 124.26 3irs h LEU 275 Ca 0.12 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 3irs h LEU 275 Cb -0.01 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 3irs h LEU 275 CO -0.05 0.56 -0.12 -0.07 -0.62 0.00 0.00 178.44 178.15 3irs h LEU 276 N 0.74 0.49 -0.18 2.25 3.38 -0.68 -2.02 115.31 119.29 3irs h LEU 276 Ca 0.20 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 3irs h LEU 276 Cb 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3irs h LEU 276 CO -0.03 0.64 -0.94 0.00 0.09 0.00 0.00 178.44 178.20 3irs h ALA 277 N 1.41 0.37 0.00 1.53 0.00 -0.92 -3.23 119.26 118.42 3irs h ALA 277 Ca 0.09 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 3irs h ALA 277 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3irs h ALA 277 CO 0.03 0.82 -0.49 1.96 0.00 0.00 0.00 179.25 181.57 3irs h GLN 278 N 0.23 0.00 -6.10 0.00 1.08 -0.86 -3.45 115.11 106.00 3irs h GLN 278 Ca -0.08 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.48 3irs h GLN 278 Cb 1.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.01 3irs h GLN 278 CO 0.16 0.49 1.28 0.00 -0.95 0.00 0.00 178.83 179.81 3irs n ALA 279 N -2.30 1.02 0.00 3.87 0.00 -0.77 -4.15 120.51 118.17 3irs n ALA 279 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3irs n ALA 279 Cb 0.60 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3irs n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3irs n GLY 280 N 5.47 0.75 0.00 0.00 0.00 -1.10 -4.90 105.19 105.42 3irs n GLY 280 Ca 0.32 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3irs n GLY 280 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19