#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 4.63 -0.06 3.23 2.20 -1.26 -4.88 119.74 123.60 3irs s LYS 2 Ca 0.00 1.82 0.03 0.00 -0.36 0.00 0.00 55.97 57.47 3irs s LYS 2 Cb 0.00 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3irs s LYS 2 CO 0.00 0.19 -0.16 0.42 -0.36 0.00 0.00 175.35 175.44 3irs s ILE 3 N -1.13 1.37 -0.25 5.43 1.01 -0.95 -4.31 121.20 122.36 3irs s ILE 3 Ca 0.45 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 3irs s ILE 3 Cb -0.32 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 3irs s ILE 3 CO 0.41 0.40 0.01 -0.63 0.00 0.00 0.00 174.94 175.14 3irs s ILE 4 N 0.32 3.68 -0.51 2.92 1.01 0.25 -1.24 121.20 127.63 3irs s ILE 4 Ca -0.10 -0.55 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 3irs s ILE 4 Cb -0.14 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.59 3irs s ILE 4 CO 0.04 0.28 1.00 -0.62 0.00 0.00 0.00 174.94 175.63 3irs s ASP 5 N 1.50 6.45 0.00 3.58 -1.08 0.15 -4.67 116.67 122.60 3irs s ASP 5 Ca 0.04 0.00 0.17 0.00 -0.52 0.00 0.00 52.55 52.25 3irs s ASP 5 Cb -0.16 -2.47 1.02 0.00 -1.46 0.00 0.00 42.92 39.85 3irs s ASP 5 CO -0.00 -1.20 1.44 0.33 0.52 0.00 0.00 175.17 176.25 3irs n PHE 6 N 7.55 0.00 -3.30 -5.34 7.35 -0.55 -0.09 117.46 123.08 3irs n PHE 6 Ca 0.06 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.65 3irs n PHE 6 Cb 0.48 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.26 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 0.72 -0.17 -4.13 3.52 -1.26 -4.70 118.95 110.94 3irs s ARG 7 Ca 0.26 -0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 55.16 3irs s ARG 7 Cb 0.12 -0.40 0.06 0.00 -1.56 0.00 0.00 34.95 33.16 3irs s ARG 7 CO 0.20 -1.20 0.06 -1.17 -0.81 0.00 0.00 175.30 172.38 3irs s LEU 8 N 1.56 0.63 -0.41 -0.88 0.20 -0.79 -1.53 118.68 117.46 3irs s LEU 8 Ca 0.17 -0.61 -0.07 0.00 0.69 0.00 0.00 54.13 54.30 3irs s LEU 8 Cb -0.11 -0.37 0.08 0.00 -0.43 0.00 0.00 46.19 45.37 3irs s LEU 8 CO -0.04 -0.32 0.22 -0.13 -0.29 0.00 0.00 176.35 175.79 3irs s ARG 9 N 2.04 2.48 0.57 1.98 3.00 -0.44 -3.69 118.95 124.88 3irs s ARG 9 Ca 0.01 -1.51 -0.18 0.00 0.00 0.00 0.00 55.73 54.06 3irs s ARG 9 Cb -0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 34.95 31.06 3irs s ARG 9 CO -0.08 -0.94 1.09 -1.25 0.00 0.00 0.00 175.30 174.11 3irs s PRO 10 N 1.36 3.33 -1.34 3.54 0.04 -1.26 -4.20 135.00 136.47 3irs s PRO 10 Ca 0.03 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 62.32 3irs s PRO 10 Cb -0.23 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3irs s PRO 10 CO 0.01 -0.83 2.10 -0.35 0.04 0.00 0.00 177.00 177.97 3irs n PRO 11 N -1.63 2.71 -4.44 0.56 -0.04 -1.26 -4.63 135.00 126.27 3irs n PRO 11 Ca 0.10 -2.62 -0.21 0.00 -0.04 0.00 0.00 63.50 60.72 3irs n PRO 11 Cb 0.52 -3.29 -0.10 0.00 -0.04 0.00 0.00 33.50 30.58 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 3.85 2.37 0.09 0.55 0.00 -1.26 -4.44 121.76 122.92 3irs s ALA 12 Ca 0.50 -1.95 -0.36 0.00 0.00 0.00 0.00 51.96 50.15 3irs s ALA 12 Cb 0.12 0.28 -0.16 0.00 0.00 0.00 0.00 23.12 23.35 3irs s ALA 12 CO -0.03 -0.12 1.39 0.00 0.00 0.00 0.00 175.76 177.00 3irs n MET 13 N -0.61 1.31 0.00 0.00 0.00 -1.26 -1.71 117.12 114.84 3irs n MET 13 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 57.70 58.12 3irs n MET 13 Cb 0.64 -2.14 0.00 0.00 0.00 0.00 0.00 33.22 31.72 3irs n MET 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3irs n GLY 14 N 2.70 2.53 0.33 3.17 0.00 -1.26 -4.69 105.19 107.97 3irs n GLY 14 Ca 0.18 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.76 3irs n GLY 14 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3irs h PHE 15 N 0.00 0.34 0.00 1.61 0.04 -1.62 0.12 116.94 117.43 3irs h PHE 15 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3irs h PHE 15 Cb 0.00 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.04 3irs h PHE 15 CO 0.00 0.18 0.00 -0.07 -0.60 0.00 0.00 178.31 177.82 3irs h LEU 16 N 0.33 0.00 0.00 1.54 3.38 -1.71 -1.92 115.31 116.93 3irs h LEU 16 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3irs h LEU 16 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3irs h LEU 16 CO -0.05 0.00 -0.45 0.59 0.09 0.00 0.00 178.44 178.62 3irs n ASN 17 N -2.37 0.45 -4.85 -0.43 3.02 0.03 -3.94 115.26 107.16 3irs n ASN 17 Ca -0.01 -0.14 -0.31 0.00 -0.03 0.00 0.00 54.58 54.09 3irs n ASN 17 Cb 0.08 0.16 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 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 -3.01 2.97 0.49 5.41 0.00 -0.72 -4.29 121.76 122.60 3irs s ALA 18 Ca 0.11 -0.02 0.31 0.00 0.00 0.00 0.00 51.96 52.36 3irs s ALA 18 Cb 0.17 -3.11 1.68 0.00 0.00 0.00 0.00 23.12 21.87 3irs s ALA 18 CO 0.68 -0.83 2.16 -0.09 0.00 0.00 0.00 175.76 177.69 3irs h ARG 19 N -0.37 0.00 0.00 0.00 2.43 -1.49 0.91 114.38 115.86 3irs h ARG 19 Ca -0.44 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3irs h ARG 19 Cb 1.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3irs h ARG 19 CO 0.60 0.06 -0.04 -0.84 -1.51 0.00 0.00 179.97 178.25 3irs h ILE 20 N 0.00 0.63 0.00 1.20 3.07 -1.89 -1.93 117.51 118.60 3irs h ILE 20 Ca -0.00 -0.15 -0.11 0.00 1.55 0.00 0.00 64.86 66.15 3irs h ILE 20 Cb 0.20 1.09 -0.02 0.00 -0.27 0.00 0.00 36.82 37.82 3irs h ILE 20 CO 0.01 0.04 -1.40 -1.22 -1.05 0.00 0.00 178.15 174.52 3irs n TYR 21 N -3.92 0.00 0.33 0.16 4.01 -0.64 -4.65 117.16 112.44 3irs n TYR 21 Ca -0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.84 3irs n TYR 21 Cb 0.13 -0.29 0.32 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.00 -2.21 -0.72 1.35 -0.91 -3.32 112.91 107.10 3irs h THR 22 Ca -0.16 -0.76 -0.59 0.00 -0.55 0.00 0.00 66.41 64.35 3irs h THR 22 Cb 1.35 1.74 -0.42 0.00 -1.73 0.00 0.00 68.15 69.09 3irs h THR 22 CO 0.00 0.00 -0.63 0.54 -0.25 0.00 0.00 175.52 175.19 3irs n ARG 23 N -2.86 2.67 0.30 4.72 5.12 -0.73 -4.92 116.66 120.97 3irs n ARG 23 Ca 0.04 -4.68 0.17 0.00 -1.93 0.00 0.00 57.85 51.45 3irs n ARG 23 Cb 0.45 -2.22 0.95 0.00 -1.16 0.00 0.00 32.46 30.49 3irs n ARG 23 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3irs h PRO 24 N 3.82 0.00 0.31 5.56 0.13 -1.79 -2.28 132.00 137.74 3irs h PRO 24 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 3irs h PRO 24 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3irs h PRO 24 CO 0.82 0.03 -0.15 0.38 -0.23 0.00 0.00 178.00 178.85 3irs h ASP 25 N 0.00 -0.35 -0.35 1.44 2.03 -1.94 0.14 116.42 117.39 3irs h ASP 25 Ca -0.00 -0.06 -0.00 0.00 -0.73 0.00 0.00 57.03 56.24 3irs h ASP 25 Cb 0.10 0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 38.67 3irs h ASP 25 CO 0.00 -0.16 0.22 0.40 -1.03 0.00 0.00 179.24 178.67 3irs h ILE 26 N -0.53 1.11 0.12 4.15 2.04 -1.86 -1.89 117.51 120.65 3irs h ILE 26 Ca -0.04 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3irs h ILE 26 Cb 0.39 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3irs h ILE 26 CO 0.07 0.11 -0.19 -0.09 0.00 0.00 0.00 178.15 178.05 3irs h ARG 27 N 0.46 -0.36 -0.32 2.37 2.43 -1.32 -1.82 114.38 115.83 3irs h ARG 27 Ca 0.13 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3irs h ARG 27 Cb -0.01 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3irs h ARG 27 CO -0.02 -0.24 0.05 -0.91 -1.51 0.00 0.00 179.97 177.33 3irs h ASN 28 N -0.37 0.43 -0.67 -3.80 2.35 -0.66 -0.38 115.58 112.48 3irs h ASN 28 Ca 0.02 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 3irs h ASN 28 Cb 0.38 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3irs h ASN 28 CO -0.10 0.46 0.24 0.03 -1.65 0.00 0.00 177.43 176.41 3irs h ARG 29 N 0.46 1.05 -0.02 0.81 3.08 -1.10 -1.47 114.38 117.18 3irs h ARG 29 Ca 0.11 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3irs h ARG 29 Cb 0.23 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3irs h ARG 29 CO 0.00 0.88 0.00 0.35 -1.07 0.00 0.00 179.97 180.13 3irs h PHE 30 N 1.02 0.04 -0.37 3.04 3.57 -0.45 -2.01 116.94 121.78 3irs h PHE 30 Ca 0.23 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.79 3irs h PHE 30 Cb 0.25 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 3irs h PHE 30 CO 0.02 0.32 -0.06 1.15 -2.23 0.00 0.00 178.31 177.51 3irs h THR 31 N -0.25 0.66 -0.46 4.41 2.02 -0.93 0.96 112.91 119.31 3irs h THR 31 Ca 0.01 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3irs h THR 31 Cb 0.30 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3irs h THR 31 CO 0.00 0.01 0.00 0.03 0.37 0.00 0.00 175.52 175.93 3irs h ARG 32 N 0.03 0.75 -0.62 6.66 3.08 -1.17 -0.63 114.38 122.49 3irs h ARG 32 Ca 0.18 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3irs h ARG 32 Cb 0.27 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3irs h ARG 32 CO -0.35 0.76 0.01 0.37 -1.07 0.00 0.00 179.97 179.68 3irs h GLN 33 N 0.71 1.08 -0.53 0.04 4.15 -0.55 -2.39 115.11 117.62 3irs h GLN 33 Ca 0.14 -0.34 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 3irs h GLN 33 Cb 0.43 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3irs h GLN 33 CO 0.02 1.05 0.22 1.25 -1.93 0.00 0.00 178.83 179.43 3irs h LEU 34 N 0.99 0.69 0.00 -2.39 5.85 -0.62 -3.47 115.31 116.35 3irs h LEU 34 Ca 0.18 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3irs h LEU 34 Cb 0.56 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3irs h LEU 34 CO 0.03 0.62 0.00 0.61 -0.34 0.00 0.00 178.44 179.36 3irs n GLY 35 N -1.11 1.31 3.71 3.75 0.00 -0.52 -4.91 105.19 107.43 3irs n GLY 35 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.64 2.73 0.05 1.61 0.08 -0.36 -4.98 117.98 115.48 3irs s PHE 36 Ca 0.00 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 56.65 3irs s PHE 36 Cb 0.00 -1.46 -0.06 0.00 -0.57 0.00 0.00 43.02 40.93 3irs s PHE 36 CO 0.00 0.46 0.37 -1.21 -0.10 0.00 0.00 175.22 174.73 3irs s GLU 37 N -3.78 3.74 0.36 0.44 0.41 -1.26 -2.99 118.70 115.62 3irs s GLU 37 Ca 0.35 0.15 -0.27 0.00 -0.41 0.00 0.00 54.97 54.79 3irs s GLU 37 Cb -0.04 -3.05 -0.12 0.00 -1.78 0.00 0.00 34.13 29.14 3irs s GLU 37 CO 0.22 0.60 1.21 -2.30 -0.49 0.00 0.00 175.26 174.50 3irs n PRO 38 N 1.10 1.87 -2.07 0.39 -0.02 -1.26 -4.45 135.00 130.56 3irs n PRO 38 Ca -0.10 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3irs n PRO 38 Cb 0.52 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.14 3.60 0.27 3.55 0.00 -1.26 -4.92 121.76 121.86 3irs s ALA 39 Ca 0.58 1.26 -0.00 0.00 0.00 0.00 0.00 51.96 53.80 3irs s ALA 39 Cb -0.57 -3.54 0.51 0.00 0.00 0.00 0.00 23.12 19.52 3irs s ALA 39 CO 0.60 -0.68 1.83 -1.35 0.00 0.00 0.00 175.76 176.16 3irs h PRO 40 N 5.25 0.91 -0.13 0.00 0.11 -1.99 -1.51 132.00 134.64 3irs h PRO 40 Ca -0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3irs h PRO 40 Cb 1.22 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3irs h PRO 40 CO 0.78 0.61 0.07 1.03 -0.21 0.00 0.00 178.00 180.28 3irs h SER 41 N 0.94 0.15 0.06 -2.05 0.87 -1.89 -0.46 113.55 111.18 3irs h SER 41 Ca 0.47 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 61.02 3irs h SER 41 Cb 0.45 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3irs h SER 41 CO -0.26 0.12 -0.03 0.00 -0.53 0.00 0.00 176.83 176.13 3irs h ALA 42 N 1.90 -0.08 -0.96 6.23 0.00 -1.62 -1.02 119.26 123.71 3irs h ALA 42 Ca 0.05 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3irs h ALA 42 Cb 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3irs h ALA 42 CO -0.01 -0.23 0.62 0.93 0.00 0.00 0.00 179.25 180.56 3irs h GLU 43 N -0.71 1.02 -0.01 0.00 4.39 -1.04 -2.41 114.58 115.83 3irs h GLU 43 Ca -0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3irs h GLU 43 Cb 0.59 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3irs h GLU 43 CO 0.01 0.68 -0.35 0.39 -1.16 0.00 0.00 179.01 178.58 3irs n GLU 44 N -4.52 0.92 -3.85 2.33 1.02 -0.21 -4.97 120.64 111.36 3irs n GLU 44 Ca 0.16 -0.64 -0.26 0.00 -0.02 0.00 0.00 57.16 56.40 3irs n GLU 44 Cb 0.24 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 3irs n GLU 44 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3irs n LYS 45 N -0.48 -4.74 -3.82 3.49 5.02 -0.46 -4.95 118.16 112.21 3irs n LYS 45 Ca 0.11 0.56 -0.36 0.00 -2.02 0.00 0.00 58.31 56.60 3irs n LYS 45 Cb 0.39 -5.17 -0.13 0.00 -0.02 0.00 0.00 35.03 30.10 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 -3.94 4.82 0.35 4.39 0.15 -0.77 -4.90 113.70 113.80 3irs s SER 46 Ca 0.28 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 56.38 3irs s SER 46 Cb -0.14 -1.82 0.64 0.00 -1.71 0.00 0.00 66.02 62.99 3irs s SER 46 CO 0.84 -0.12 1.90 0.25 1.20 0.00 0.00 173.24 177.31 3irs h LEU 47 N 8.17 0.49 0.50 3.45 5.85 -1.87 -2.65 115.31 129.25 3irs h LEU 47 Ca -0.35 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 3irs h LEU 47 Cb 1.14 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3irs h LEU 47 CO 0.60 0.53 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.58 3irs h GLU 48 N 0.51 -0.74 -0.71 1.25 4.39 -1.97 -1.89 114.58 115.42 3irs h GLU 48 Ca 0.12 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.88 3irs h GLU 48 Cb 0.27 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 3irs h GLU 48 CO 0.00 -0.50 0.47 -0.07 -1.16 0.00 0.00 179.01 177.76 3irs h LEU 49 N -0.77 0.82 -0.62 1.33 3.38 -1.94 -2.93 115.31 114.57 3irs h LEU 49 Ca -0.06 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3irs h LEU 49 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3irs h LEU 49 CO 0.06 0.59 0.41 -0.03 0.09 0.00 0.00 178.44 179.56 3irs h MET 50 N 0.96 0.82 -0.24 1.13 4.05 -1.18 0.35 114.93 120.82 3irs h MET 50 Ca 0.26 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.57 3irs h MET 50 Cb -0.10 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.50 3irs h MET 50 CO -0.06 0.54 -0.14 0.74 0.23 0.00 0.00 176.91 178.22 3irs h PHE 51 N 0.84 0.44 0.00 1.39 0.04 -1.17 0.10 116.94 118.59 3irs h PHE 51 Ca 0.23 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 3irs h PHE 51 Cb -0.10 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 37.93 3irs h PHE 51 CO -0.03 0.54 -0.00 0.93 -0.60 0.00 0.00 178.31 179.15 3irs h GLU 52 N 0.38 -0.00 -0.69 1.51 5.08 -1.27 -0.53 114.58 119.05 3irs h GLU 52 Ca 0.07 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3irs h GLU 52 Cb 0.48 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 3irs h GLU 52 CO 0.03 0.33 0.38 0.93 -1.00 0.00 0.00 179.01 179.68 3irs h GLU 53 N -0.34 0.66 0.47 2.33 5.08 -0.77 0.23 114.58 122.24 3irs h GLU 53 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3irs h GLU 53 Cb 0.34 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3irs h GLU 53 CO 0.00 0.44 -0.24 0.52 -1.00 0.00 0.00 179.01 178.73 3irs h MET 54 N 0.68 -0.63 -0.66 2.33 2.86 -0.73 -2.10 114.93 116.68 3irs h MET 54 Ca 0.32 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 3irs h MET 54 Cb 0.24 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3irs h MET 54 CO -0.21 -0.42 0.43 0.00 1.06 0.00 0.00 176.91 177.78 3irs h ALA 55 N -0.12 0.84 -0.93 6.32 0.00 -0.92 0.13 119.26 124.58 3irs h ALA 55 Ca -0.06 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3irs h ALA 55 Cb 0.51 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3irs h ALA 55 CO 0.09 0.28 0.61 0.00 0.00 0.00 0.00 179.25 180.23 3irs h ALA 56 N 1.23 1.46 0.00 0.00 0.00 -0.95 -2.12 119.26 118.88 3irs h ALA 56 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3irs h ALA 56 Cb -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3irs h ALA 56 CO -0.05 0.42 -0.20 0.00 0.00 0.00 0.00 179.25 179.42 3irs n ALA 57 N -2.39 2.78 -0.66 0.00 0.00 -0.79 -4.92 120.51 114.53 3irs n ALA 57 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3irs n ALA 57 Cb 0.17 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.49 0.63 3.55 0.00 0.00 -0.41 -4.93 105.19 105.51 3irs n GLY 58 Ca 0.06 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 4.21 0.05 -0.61 1.01 0.32 -2.24 121.20 121.93 3irs s ILE 59 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 60.65 61.12 3irs s ILE 59 Cb 0.00 -4.63 -0.32 0.00 0.01 0.00 0.00 42.46 37.52 3irs s ILE 59 CO 0.00 -1.22 1.04 -0.33 0.00 0.00 0.00 174.94 174.43 3irs h GLU 60 N 9.42 0.41 -4.15 2.79 5.08 -1.44 -3.36 114.58 123.33 3irs h GLU 60 Ca -0.26 -0.70 -0.24 0.00 -1.00 0.00 0.00 59.36 57.17 3irs h GLU 60 Cb 1.07 0.26 -0.24 0.00 0.50 0.00 0.00 28.75 30.34 3irs h GLU 60 CO 1.13 1.33 -0.72 -0.65 -1.00 0.00 0.00 179.01 179.10 3irs s GLN 61 N -2.62 0.33 0.09 2.33 -0.21 -1.11 -4.58 119.66 113.88 3irs s GLN 61 Ca -0.07 -0.46 0.10 0.00 0.02 0.00 0.00 55.36 54.95 3irs s GLN 61 Cb 0.05 -0.11 -0.03 0.00 1.00 0.00 0.00 33.01 33.92 3irs s GLN 61 CO 0.91 0.02 -0.26 0.20 -2.12 0.00 0.00 175.29 174.04 3irs s GLY 62 N -0.97 1.44 -0.45 3.09 0.00 0.22 -0.67 107.32 109.98 3irs s GLY 62 Ca -0.08 -1.33 -0.16 0.00 0.00 0.00 0.00 44.72 43.15 3irs s GLY 62 CO -0.00 -1.27 0.38 0.14 0.00 0.00 0.00 173.10 172.35 3irs s VAL 63 N -0.94 5.20 -1.07 1.40 1.01 0.87 -0.92 120.40 125.95 3irs s VAL 63 Ca 0.12 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 3irs s VAL 63 Cb -0.10 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.35 3irs s VAL 63 CO 0.04 -0.48 1.33 0.00 0.00 0.00 0.00 175.10 175.99 3irs s VAL 65 N 2.77 3.49 0.74 0.00 1.01 -1.26 -2.75 120.40 124.41 3irs s VAL 65 Ca 0.40 0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 3irs s VAL 65 Cb -0.03 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3irs s VAL 65 CO -0.05 -0.27 1.13 -0.83 0.00 0.00 0.00 175.10 175.09 3irs s GLY 66 N 5.29 2.01 -0.02 4.51 0.00 -0.32 -4.92 107.32 113.87 3irs s GLY 66 Ca 0.79 0.56 0.02 0.00 0.00 0.00 0.00 44.72 46.09 3irs s GLY 66 CO 0.32 0.93 -0.08 -1.60 0.00 0.00 0.00 173.10 172.68 3irs s ARG 67 N -4.34 0.75 -0.22 2.90 3.52 -1.26 -4.64 118.95 115.66 3irs s ARG 67 Ca 0.67 -0.26 -0.04 0.00 -0.13 0.00 0.00 55.73 55.97 3irs s ARG 67 Cb -0.22 -0.72 0.07 0.00 -1.56 0.00 0.00 34.95 32.52 3irs s ARG 67 CO 0.48 0.12 0.08 -0.80 -0.81 0.00 0.00 175.30 174.37 3irs s ASN 68 N 0.07 2.94 -0.24 -2.12 0.02 -1.26 -0.50 114.94 113.86 3irs s ASN 68 Ca -0.01 -0.92 -0.18 0.00 -1.02 0.00 0.00 52.86 50.73 3irs s ASN 68 Cb -0.06 -0.45 0.07 0.00 0.02 0.00 0.00 41.25 40.83 3irs s ASN 68 CO -0.00 -0.36 0.62 -0.55 0.02 0.00 0.00 177.10 176.83 3irs s SER 69 N 1.98 -0.74 0.12 -1.22 0.15 -0.99 -4.40 113.70 108.60 3irs s SER 69 Ca 0.03 1.31 -0.07 0.00 0.70 0.00 0.00 55.95 57.92 3irs s SER 69 Cb -0.17 1.26 -0.11 0.00 -1.71 0.00 0.00 66.02 65.29 3irs s SER 69 CO -0.16 -0.22 1.30 0.28 1.20 0.00 0.00 173.24 175.64 3irs h SER 70 N 6.04 0.67 -0.16 5.45 0.02 -1.79 -1.86 113.55 121.92 3irs h SER 70 Ca -0.30 -0.51 -0.14 0.00 -0.84 0.00 0.00 61.79 60.00 3irs h SER 70 Cb 1.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3irs h SER 70 CO 0.15 1.30 -0.47 0.58 -1.14 0.00 0.00 176.83 177.25 3irs h VAL 71 N 0.32 1.34 -0.36 2.27 2.07 -1.84 -3.36 116.25 116.69 3irs h VAL 71 Ca -0.08 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3irs h VAL 71 Cb 1.54 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3irs h VAL 71 CO 0.17 0.53 0.00 0.18 0.02 0.00 0.00 177.57 178.47 3irs n LEU 72 N -4.22 2.99 0.00 2.57 4.77 -1.25 -4.97 117.00 116.89 3irs n LEU 72 Ca -0.07 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.08 3irs n LEU 72 Cb 0.58 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3irs n LEU 72 CO 0.46 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3irs n GLY 73 N 0.77 -1.23 2.99 -0.72 0.00 -0.70 -1.27 105.19 105.03 3irs n GLY 73 Ca 0.13 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.07 0.20 -0.07 1.61 0.01 -1.26 -2.35 113.70 108.78 3irs s SER 74 Ca 0.00 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3irs s SER 74 Cb 0.00 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.36 3irs s SER 74 CO 0.00 -0.30 -0.06 0.54 0.41 0.00 0.00 173.24 173.83 3irs s VAL 75 N -1.41 0.74 0.62 3.43 0.11 0.35 -4.12 120.40 120.13 3irs s VAL 75 Ca -0.15 -0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 58.53 3irs s VAL 75 Cb -0.09 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3irs s VAL 75 CO -0.01 0.29 1.19 -0.94 -3.33 0.00 0.00 175.10 172.30 3irs s SER 76 N 1.18 5.03 0.40 3.54 1.04 -1.26 -4.36 113.70 119.26 3irs s SER 76 Ca -0.06 2.33 0.13 0.00 0.48 0.00 0.00 55.95 58.82 3irs s SER 76 Cb -0.14 -2.59 0.82 0.00 0.10 0.00 0.00 66.02 64.21 3irs s SER 76 CO -0.01 -1.70 1.89 0.78 0.98 0.00 0.00 173.24 175.17 3irs h ASN 77 N 0.59 0.01 -0.41 7.02 2.35 -1.94 -2.42 115.58 120.78 3irs h ASN 77 Ca -0.49 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.24 3irs h ASN 77 Cb 1.29 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 3irs h ASN 77 CO 0.54 0.30 0.21 0.00 -1.65 0.00 0.00 177.43 176.83 3irs h ALA 78 N 1.70 0.53 -0.64 -0.83 0.00 -1.96 -1.22 119.26 116.84 3irs h ALA 78 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3irs h ALA 78 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3irs h ALA 78 CO 0.04 0.07 0.38 -0.44 0.00 0.00 0.00 179.25 179.30 3irs h ASP 79 N 0.53 0.77 -0.32 0.00 5.19 -1.81 -0.84 116.42 119.94 3irs h ASP 79 Ca 0.14 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.44 3irs h ASP 79 Cb 0.09 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 3irs h ASP 79 CO -0.02 0.60 -0.08 0.58 -3.12 0.00 0.00 179.24 177.20 3irs h VAL 80 N 0.89 1.28 0.00 -1.35 2.07 -1.21 -2.07 116.25 115.86 3irs h VAL 80 Ca 0.23 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 3irs h VAL 80 Cb -0.03 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3irs h VAL 80 CO -0.04 0.36 -0.31 0.00 0.02 0.00 0.00 177.57 177.60 3irs h ALA 81 N 0.80 1.29 0.04 1.67 0.00 -0.89 -2.55 119.26 119.61 3irs h ALA 81 Ca 0.08 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 3irs h ALA 81 Cb 0.57 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3irs h ALA 81 CO 0.03 0.39 -1.03 0.00 0.00 0.00 0.00 179.25 178.64 3irs h ALA 82 N 1.69 0.33 -0.22 0.00 0.00 -1.02 -1.35 119.26 118.68 3irs h ALA 82 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 3irs h ALA 82 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3irs h ALA 82 CO 0.04 1.07 0.11 0.28 0.00 0.00 0.00 179.25 180.75 3irs h VAL 83 N 0.05 1.14 -0.84 0.00 2.07 -1.13 -1.40 116.25 116.14 3irs h VAL 83 Ca -0.06 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3irs h VAL 83 Cb 1.75 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 3irs h VAL 83 CO 0.15 0.14 0.54 0.00 0.02 0.00 0.00 177.57 178.42 3irs h ALA 84 N 0.97 1.07 0.00 1.67 0.00 -1.41 -2.42 119.26 119.13 3irs h ALA 84 Ca 0.08 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3irs h ALA 84 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3irs h ALA 84 CO -0.01 0.49 -0.67 1.57 0.00 0.00 0.00 179.25 180.63 3irs h LYS 85 N 1.14 0.00 0.00 0.00 2.10 -1.16 -2.00 116.57 116.66 3irs h LYS 85 Ca 0.31 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.90 3irs h LYS 85 Cb -0.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.22 3irs h LYS 85 CO -0.06 0.67 -0.25 0.00 -2.00 0.00 0.00 179.45 177.81 3irs h ALA 86 N 1.33 1.27 -2.01 0.07 0.00 -1.01 -3.34 119.26 115.57 3irs h ALA 86 Ca -0.01 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.14 3irs h ALA 86 Cb 1.26 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 3irs h ALA 86 CO 0.09 0.31 -1.11 0.66 0.00 0.00 0.00 179.25 179.20 3irs n TYR 87 N -3.78 0.02 0.29 0.00 4.01 -0.93 -4.99 117.16 111.76 3irs n TYR 87 Ca -0.01 -3.67 0.17 0.00 -0.16 0.00 0.00 57.90 54.23 3irs n TYR 87 Cb 0.35 -0.38 0.85 0.00 -0.31 0.00 0.00 39.34 39.85 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 3.69 0.00 0.00 -0.72 0.13 -1.50 -1.01 132.00 132.59 3irs h PRO 88 Ca 0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 3irs h PRO 88 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3irs h PRO 88 CO 0.49 0.05 -0.60 -0.44 -0.23 0.00 0.00 178.00 177.27 3irs h ASP 89 N 0.00 0.00 0.00 1.44 5.19 -1.94 -3.38 116.42 117.72 3irs h ASP 89 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3irs h ASP 89 Cb 0.30 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 3irs h ASP 89 CO 0.01 0.23 -1.83 0.29 -3.12 0.00 0.00 179.24 174.82 3irs n LYS 90 N -3.00 0.57 -4.00 3.56 4.76 -0.43 -4.76 118.16 114.86 3irs n LYS 90 Ca 0.00 -0.16 -0.19 0.00 -2.87 0.00 0.00 58.31 55.10 3irs n LYS 90 Cb 0.64 -1.42 -0.16 0.00 -1.84 0.00 0.00 35.03 32.24 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 -3.20 0.54 -0.25 2.13 0.08 -0.95 -0.61 117.98 115.72 3irs s PHE 91 Ca -0.07 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.78 3irs s PHE 91 Cb 0.11 -0.57 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 3irs s PHE 91 CO 0.74 -0.18 0.15 -1.01 -0.10 0.00 0.00 175.22 174.81 3irs s HIS 92 N 1.13 3.26 0.19 0.36 3.76 -0.10 -4.68 115.29 119.21 3irs s HIS 92 Ca -0.08 0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 54.64 3irs s HIS 92 Cb -0.14 -2.28 -0.08 0.00 1.11 0.00 0.00 32.58 31.20 3irs s HIS 92 CO -0.01 -0.03 0.98 -1.25 -0.85 0.00 0.00 174.74 173.57 3irs s PRO 93 N 1.24 4.76 -0.10 8.40 0.04 -1.26 -0.99 135.00 147.08 3irs s PRO 93 Ca 0.07 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.64 3irs s PRO 93 Cb -0.14 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.11 3irs s PRO 93 CO 0.06 0.34 -0.10 0.08 0.04 0.00 0.00 177.00 177.42 3irs s VAL 94 N -0.65 1.13 0.71 -0.36 1.01 -1.11 -4.61 120.40 116.52 3irs s VAL 94 Ca 0.44 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 3irs s VAL 94 Cb -0.26 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3irs s VAL 94 CO 0.32 0.37 1.07 -0.83 0.00 0.00 0.00 175.10 176.04 3irs s GLY 95 N 1.29 1.65 0.05 4.51 0.00 -0.45 -1.18 107.32 113.20 3irs s GLY 95 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3irs s GLY 95 CO -0.04 0.24 -0.04 -1.35 0.00 0.00 0.00 173.10 171.90 3irs s SER 96 N -4.01 0.62 -0.05 1.64 1.04 -1.26 0.12 113.70 111.81 3irs s SER 96 Ca 0.58 -0.84 0.05 0.00 0.48 0.00 0.00 55.95 56.22 3irs s SER 96 Cb -0.13 0.14 -0.00 0.00 0.10 0.00 0.00 66.02 66.12 3irs s SER 96 CO 0.54 -0.46 -0.19 -0.63 0.98 0.00 0.00 173.24 173.49 3irs s ILE 97 N -3.01 1.55 -0.11 -1.02 1.01 -1.17 -4.86 121.20 113.60 3irs s ILE 97 Ca 0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 3irs s ILE 97 Cb 0.01 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.19 3irs s ILE 97 CO -0.06 0.44 -0.04 -0.70 0.00 0.00 0.00 174.94 174.59 3irs s GLU 98 N -0.00 1.13 -0.04 2.79 2.12 -1.26 -4.63 118.70 118.80 3irs s GLU 98 Ca -0.04 -0.15 -0.12 0.00 0.36 0.00 0.00 54.97 55.03 3irs s GLU 98 Cb -0.12 -1.42 0.02 0.00 0.26 0.00 0.00 34.13 32.87 3irs s GLU 98 CO 0.02 -0.31 0.27 0.00 -0.54 0.00 0.00 175.26 174.70 3irs s ALA 99 N 1.81 -0.67 -0.22 6.30 0.00 -1.26 -4.89 121.76 122.84 3irs s ALA 99 Ca 0.04 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 3irs s ALA 99 Cb -0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 23.12 22.77 3irs s ALA 99 CO -0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 175.76 175.39 3irs n ALA 100 N 1.85 0.86 -2.73 0.00 0.00 -1.26 -4.96 120.51 114.28 3irs n ALA 100 Ca -0.19 -0.70 -0.32 0.00 0.00 0.00 0.00 53.44 52.23 3irs n ALA 100 Cb 0.57 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.45 5.23 0.06 0.00 -4.23 -1.26 -5.00 115.64 107.99 3irs s THR 101 Ca -0.29 -0.01 0.30 0.00 -1.18 0.00 0.00 61.69 60.51 3irs s THR 101 Cb 0.08 -3.62 0.35 0.00 1.34 0.00 0.00 72.50 70.65 3irs s THR 101 CO 0.48 0.12 1.92 0.08 -0.54 0.00 0.00 174.62 176.67 3irs h ARG 102 N 3.09 0.00 0.00 3.99 0.11 -1.94 -1.24 114.38 118.39 3irs h ARG 102 Ca -0.46 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.54 3irs h ARG 102 Cb 1.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 3irs h ARG 102 CO 0.72 0.06 -0.38 0.87 0.10 0.00 0.00 179.97 181.34 3irs h LYS 103 N 0.00 0.00 -0.14 0.08 1.57 -1.98 -0.48 116.57 115.62 3irs h LYS 103 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3irs h LYS 103 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3irs h LYS 103 CO 0.01 0.38 -0.04 0.93 -0.57 0.00 0.00 179.45 180.16 3irs h GLU 104 N 0.00 0.26 -0.92 3.15 5.08 -1.65 -2.61 114.58 117.89 3irs h GLU 104 Ca -0.00 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3irs h GLU 104 Cb 1.05 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 3irs h GLU 104 CO 0.05 0.56 0.60 0.00 -1.00 0.00 0.00 179.01 179.22 3irs h ALA 105 N 0.70 1.43 0.00 3.43 0.00 -1.22 -1.60 119.26 121.99 3irs h ALA 105 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3irs h ALA 105 Cb 0.46 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3irs h ALA 105 CO 0.01 0.47 -0.73 0.52 0.00 0.00 0.00 179.25 179.52 3irs h MET 106 N 1.14 0.00 -0.22 0.00 2.86 -1.13 -0.38 114.93 117.19 3irs h MET 106 Ca 0.37 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.81 3irs h MET 106 Cb 0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.72 3irs h MET 106 CO -0.12 0.73 -0.65 0.00 1.06 0.00 0.00 176.91 177.94 3irs h ALA 107 N 1.27 0.38 -0.62 6.32 0.00 -1.27 -1.97 119.26 123.37 3irs h ALA 107 Ca -0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 3irs h ALA 107 Cb 1.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3irs h ALA 107 CO 0.10 0.67 0.00 1.96 0.00 0.00 0.00 179.25 181.97 3irs h GLN 108 N 0.60 1.09 -0.69 0.00 4.20 -1.24 -1.49 115.11 117.57 3irs h GLN 108 Ca -0.02 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.28 3irs h GLN 108 Cb 1.27 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 3irs h GLN 108 CO 0.14 1.05 0.15 1.98 -0.67 0.00 0.00 178.83 181.48 3irs h MET 109 N 0.99 1.12 -0.54 1.46 4.05 -1.07 -1.52 114.93 119.42 3irs h MET 109 Ca 0.17 -0.28 -0.07 0.00 -0.28 0.00 0.00 59.70 59.25 3irs h MET 109 Cb 0.56 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3irs h MET 109 CO 0.03 1.00 0.08 0.37 0.23 0.00 0.00 176.91 178.62 3irs h GLN 110 N 1.06 0.91 -0.17 0.39 5.75 -1.21 -1.66 115.11 120.17 3irs h GLN 110 Ca 0.22 -0.25 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3irs h GLN 110 Cb 0.39 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 3irs h GLN 110 CO 0.01 0.88 -0.05 1.49 -2.65 0.00 0.00 178.83 178.51 3irs h GLU 111 N 0.79 -0.02 -0.52 1.69 4.81 -1.06 0.88 114.58 121.16 3irs h GLU 111 Ca 0.16 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 3irs h GLU 111 Cb 0.42 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.73 3irs h GLU 111 CO 0.01 -0.01 0.05 0.82 -0.73 0.00 0.00 179.01 179.15 3irs h ILE 112 N -0.02 0.64 -0.28 2.32 2.04 -1.08 -0.80 117.51 120.32 3irs h ILE 112 Ca 0.09 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 3irs h ILE 112 Cb 0.15 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3irs h ILE 112 CO -0.19 0.03 -0.23 -0.07 0.00 0.00 0.00 178.15 177.69 3irs h LEU 113 N 0.17 0.52 -1.04 1.44 3.38 -0.85 -2.02 115.31 116.91 3irs h LEU 113 Ca 0.27 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3irs h LEU 113 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3irs h LEU 113 CO -0.40 0.75 -0.20 0.44 0.09 0.00 0.00 178.44 179.13 3irs h ASP 114 N 0.46 0.44 0.00 -0.43 3.32 -0.33 -2.45 116.42 117.43 3irs h ASP 114 Ca 0.07 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3irs h ASP 114 Cb 0.65 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3irs h ASP 114 CO 0.05 0.65 0.00 0.18 -1.72 0.00 0.00 179.24 178.40 3irs n LEU 115 N -4.16 0.00 0.00 1.55 4.77 -0.35 -4.88 117.00 113.93 3irs n LEU 115 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3irs n LEU 115 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3irs n LEU 115 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3irs n GLY 116 N 0.54 0.69 3.79 -0.72 0.00 -0.92 -4.95 105.19 103.61 3irs n GLY 116 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.65 4.48 -0.01 -0.61 1.01 -0.79 -4.99 121.20 117.64 3irs s ILE 117 Ca 0.00 1.51 0.02 0.00 0.00 0.00 0.00 60.65 62.18 3irs s ILE 117 Cb 0.00 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.48 3irs s ILE 117 CO 0.00 0.43 0.86 0.54 0.00 0.00 0.00 174.94 176.77 3irs n ARG 118 N 1.34 1.75 -4.25 2.79 5.12 -1.26 -4.03 116.66 118.13 3irs n ARG 118 Ca -0.05 -1.28 -0.18 0.00 -1.93 0.00 0.00 57.85 54.41 3irs n ARG 118 Cb 0.50 -0.87 -0.15 0.00 -1.16 0.00 0.00 32.46 30.77 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 -0.83 0.57 -0.00 0.55 1.01 -1.26 -4.07 121.20 117.16 3irs s ILE 119 Ca 0.03 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.49 3irs s ILE 119 Cb 0.03 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 3irs s ILE 119 CO 0.00 0.18 -0.18 0.54 0.00 0.00 0.00 174.94 175.48 3irs s VAL 120 N 0.18 2.74 -0.17 2.92 0.11 -1.06 -1.34 120.40 123.77 3irs s VAL 120 Ca -0.02 -1.02 -0.05 0.00 -2.93 0.00 0.00 61.98 57.96 3irs s VAL 120 Cb -0.07 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.66 3irs s VAL 120 CO -0.00 0.47 -0.00 0.21 -3.33 0.00 0.00 175.10 172.44 3irs s ASN 121 N -1.04 5.01 -0.17 3.54 2.47 0.33 -0.72 114.94 124.36 3irs s ASN 121 Ca 0.13 -0.09 0.01 0.00 0.42 0.00 0.00 52.86 53.33 3irs s ASN 121 Cb -0.10 -1.84 0.02 0.00 -1.45 0.00 0.00 41.25 37.88 3irs s ASN 121 CO 0.02 0.15 -0.19 -0.76 -3.72 0.00 0.00 177.10 172.60 3irs s LEU 122 N 0.51 2.04 -0.56 3.21 1.43 0.84 -3.03 118.68 123.10 3irs s LEU 122 Ca -0.01 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 3irs s LEU 122 Cb -0.14 -1.41 0.29 0.00 0.03 0.00 0.00 46.19 44.96 3irs s LEU 122 CO 0.02 0.00 0.78 -0.62 0.23 0.00 0.00 176.35 176.76 3irs n GLU 123 N 4.56 2.36 0.21 1.70 1.02 -1.26 -2.21 120.64 127.02 3irs n GLU 123 Ca -0.20 -4.41 0.15 0.00 -0.02 0.00 0.00 57.16 52.67 3irs n GLU 123 Cb 0.50 -2.06 0.63 0.00 -0.02 0.00 0.00 31.44 30.50 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 3.65 0.00 0.00 3.49 0.14 -1.88 -2.18 132.00 135.22 3irs h PRO 124 Ca 0.15 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.29 3irs h PRO 124 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.81 3irs h PRO 124 CO 0.75 0.00 0.00 0.78 0.14 0.00 0.00 178.00 179.67 3irs h GLY 125 N 1.86 0.00 -1.35 1.56 0.00 -1.57 -0.85 103.07 102.72 3irs h GLY 125 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3irs h GLY 125 CO 0.00 0.00 -0.02 3.33 0.00 0.00 0.00 176.54 179.85 3irs n VAL 126 N -2.52 2.25 -2.10 4.60 0.24 -0.82 -4.11 118.33 115.86 3irs n VAL 126 Ca 0.02 -2.10 -0.28 0.00 -2.04 0.00 0.00 64.34 59.94 3irs n VAL 126 Cb 0.29 -0.26 0.05 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.91 3.23 0.32 6.34 0.51 -1.16 -2.84 118.94 122.43 3irs s TRP 127 Ca 0.41 0.81 0.04 0.00 -2.12 0.00 0.00 56.10 55.24 3irs s TRP 127 Cb 0.34 -3.00 0.67 0.00 -0.81 0.00 0.00 33.47 30.67 3irs s TRP 127 CO 0.06 -1.13 1.89 0.00 -0.51 0.00 0.00 176.95 177.26 3irs h ALA 128 N -0.51 1.66 -2.87 0.98 0.00 -1.94 -3.03 119.26 113.55 3irs h ALA 128 Ca -0.45 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.74 3irs h ALA 128 Cb 1.27 -0.19 -0.31 0.00 0.00 0.00 0.00 17.79 18.55 3irs h ALA 128 CO 0.63 0.15 -0.33 0.99 0.00 0.00 0.00 179.25 180.69 3irs s THR 129 N -5.80 4.18 0.33 0.00 2.01 -1.26 -5.08 115.64 110.01 3irs s THR 129 Ca -0.11 -2.25 -0.29 0.00 0.31 0.00 0.00 61.69 59.35 3irs s THR 129 Cb 0.21 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 3irs s THR 129 CO 0.79 -0.83 1.48 -2.84 -0.69 0.00 0.00 174.62 172.53 3irs s PRO 130 N 0.75 4.18 0.06 4.92 0.02 -1.15 -4.95 135.00 138.83 3irs s PRO 130 Ca 0.11 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.58 3irs s PRO 130 Cb -0.22 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 3irs s PRO 130 CO -0.03 -0.48 -0.00 0.00 -0.33 0.00 0.00 177.00 176.16 3irs s MET 131 N -1.38 0.64 0.56 5.54 0.23 -0.34 -4.97 119.30 119.60 3irs s MET 131 Ca 0.56 -1.19 -0.15 0.00 -1.03 0.00 0.00 55.69 53.88 3irs s MET 131 Cb -0.45 0.23 -0.06 0.00 -1.53 0.00 0.00 34.83 33.02 3irs s MET 131 CO 0.55 -0.13 1.01 -1.01 -2.03 0.00 0.00 175.02 173.41 3irs s HIS 132 N -3.91 3.41 0.51 3.16 3.76 -1.26 -2.79 115.29 118.17 3irs s HIS 132 Ca 0.07 1.43 0.34 0.00 -0.15 0.00 0.00 55.06 56.74 3irs s HIS 132 Cb 0.08 -2.81 1.84 0.00 1.11 0.00 0.00 32.58 32.80 3irs s HIS 132 CO -0.10 -0.60 2.21 -0.39 -0.85 0.00 0.00 174.74 175.00 3irs h VAL 133 N 0.45 0.34 -0.56 -0.90 -1.51 -1.90 -1.65 116.25 110.51 3irs h VAL 133 Ca -0.46 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3irs h VAL 133 Cb 1.19 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3irs h VAL 133 CO 0.61 0.04 0.00 -0.90 -1.23 0.00 0.00 177.57 176.09 3irs n ASP 134 N -3.49 5.19 -4.72 4.19 5.75 -1.26 -4.89 116.55 117.32 3irs n ASP 134 Ca -0.02 -2.75 -0.42 0.00 -0.01 0.00 0.00 54.79 51.58 3irs n ASP 134 Cb 0.15 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.56 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 -0.76 6.42 0.40 -1.12 -1.08 -0.62 -4.87 116.67 115.03 3irs s ASP 135 Ca 0.50 2.83 0.24 0.00 -0.52 0.00 0.00 52.55 55.60 3irs s ASP 135 Cb 0.37 -2.60 1.33 0.00 -1.46 0.00 0.00 42.92 40.56 3irs s ASP 135 CO 0.17 -0.94 1.62 0.08 0.52 0.00 0.00 175.17 176.62 3irs h ARG 136 N 6.59 0.11 0.00 4.34 0.11 -1.93 0.45 114.38 124.06 3irs h ARG 136 Ca -0.43 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3irs h ARG 136 Cb 1.20 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3irs h ARG 136 CO 0.93 0.07 0.00 0.00 0.10 0.00 0.00 179.97 181.07 3irs h ARG 137 N 0.11 0.00 0.00 0.08 3.08 -1.96 -1.81 114.38 113.88 3irs h ARG 137 Ca 0.81 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.86 3irs h ARG 137 Cb 2.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.34 3irs h ARG 137 CO -0.56 0.00 -0.81 1.28 -1.07 0.00 0.00 179.97 178.81 3irs n LEU 138 N -2.63 0.64 -0.28 3.04 4.77 0.15 -4.43 117.00 118.26 3irs n LEU 138 Ca -0.00 -0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 3irs n LEU 138 Cb 0.16 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3irs n LEU 138 CO 0.19 0.09 1.14 1.88 -1.33 0.00 0.00 177.39 179.36 3irs h TYR 139 N 0.00 1.04 -0.80 -1.77 -1.99 -1.38 -1.61 116.97 110.46 3irs h TYR 139 Ca 0.00 -0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.83 3irs h TYR 139 Cb 0.62 -0.34 -0.08 0.00 2.00 0.00 0.00 36.73 38.94 3irs h TYR 139 CO 0.00 0.72 0.43 -1.35 -0.00 0.00 0.00 178.16 177.96 3irs h PRO 140 N 1.07 0.67 -0.53 4.88 0.11 -1.77 0.30 132.00 136.72 3irs h PRO 140 Ca 0.28 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 3irs h PRO 140 Cb -0.00 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 3irs h PRO 140 CO -0.05 0.44 0.16 1.25 -0.21 0.00 0.00 178.00 179.60 3irs h LEU 141 N 0.69 0.78 -0.68 2.35 5.85 -1.67 -1.41 115.31 121.22 3irs h LEU 141 Ca 0.41 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3irs h LEU 141 Cb 0.46 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3irs h LEU 141 CO -0.29 0.78 0.22 1.88 -0.34 0.00 0.00 178.44 180.69 3irs h TYR 142 N 0.74 1.09 -0.57 1.25 0.05 -0.80 -0.97 116.97 117.76 3irs h TYR 142 Ca 0.17 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3irs h TYR 142 Cb 0.28 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 3irs h TYR 142 CO 0.02 0.87 0.38 0.00 -1.05 0.00 0.00 178.16 178.38 3irs h ALA 143 N 1.09 0.73 0.04 3.88 0.00 -0.77 0.10 119.26 124.33 3irs h ALA 143 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3irs h ALA 143 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3irs h ALA 143 CO -0.01 0.17 -0.06 0.35 0.00 0.00 0.00 179.25 179.70 3irs h PHE 144 N 0.77 -0.15 -0.86 0.00 3.57 -1.02 -1.75 116.94 117.51 3irs h PHE 144 Ca 0.21 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3irs h PHE 144 Cb -0.08 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3irs h PHE 144 CO -0.03 -0.10 0.43 0.00 -2.23 0.00 0.00 178.31 176.38 3irs h GLU 146 N 1.21 0.27 0.00 0.00 4.81 -0.73 0.83 114.58 120.97 3irs h GLU 146 Ca 0.30 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3irs h GLU 146 Cb 0.09 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3irs h GLU 146 CO -0.04 0.43 -0.21 -0.44 -0.73 0.00 0.00 179.01 178.02 3irs h ASP 147 N 0.07 0.00 -0.42 1.04 3.32 -1.12 -3.02 116.42 116.29 3irs h ASP 147 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3irs h ASP 147 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3irs h ASP 147 CO 0.00 0.21 0.00 0.59 -1.72 0.00 0.00 179.24 178.32 3irs n ASN 148 N -3.75 3.90 -2.72 6.45 3.02 -0.63 -4.98 115.26 116.56 3irs n ASN 148 Ca -0.02 -2.49 -0.21 0.00 -0.03 0.00 0.00 54.58 51.83 3irs n ASN 148 Cb 0.32 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.39 -0.51 3.62 7.41 0.00 -0.75 -3.00 105.19 112.36 3irs n GLY 149 Ca 0.20 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.04 5.04 0.51 -0.61 1.01 0.21 -1.64 121.20 122.67 3irs s ILE 150 Ca 0.15 0.99 -0.19 0.00 0.00 0.00 0.00 60.65 61.59 3irs s ILE 150 Cb -0.07 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 3irs s ILE 150 CO 0.18 0.07 1.06 -2.16 0.00 0.00 0.00 174.94 174.09 3irs s PRO 151 N 2.36 3.65 -0.18 2.79 0.05 -1.26 -4.55 135.00 137.86 3irs s PRO 151 Ca 0.23 1.38 0.01 0.00 0.05 0.00 0.00 61.00 62.68 3irs s PRO 151 Cb -0.16 -2.07 0.03 0.00 0.05 0.00 0.00 34.50 32.35 3irs s PRO 151 CO 0.09 -0.56 -0.18 0.08 0.05 0.00 0.00 177.00 176.48 3irs s VAL 152 N -2.01 1.96 0.04 -0.36 1.01 0.05 -2.58 120.40 118.51 3irs s VAL 152 Ca 0.68 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 3irs s VAL 152 Cb -0.18 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3irs s VAL 152 CO 0.24 0.45 0.78 -0.63 0.00 0.00 0.00 175.10 175.94 3irs s ILE 153 N 1.31 4.76 -0.02 2.22 1.01 0.10 -0.95 121.20 129.63 3irs s ILE 153 Ca 0.03 1.65 0.01 0.00 0.00 0.00 0.00 60.65 62.34 3irs s ILE 153 Cb -0.14 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.22 3irs s ILE 153 CO -0.12 0.34 -0.03 0.00 0.00 0.00 0.00 174.94 175.13 3irs s MET 154 N 0.07 0.50 -0.61 2.79 0.23 -0.01 -0.11 119.30 122.17 3irs s MET 154 Ca 0.39 -0.07 -0.25 0.00 -1.03 0.00 0.00 55.69 54.73 3irs s MET 154 Cb -0.20 -0.56 0.04 0.00 -1.53 0.00 0.00 34.83 32.58 3irs s MET 154 CO 0.23 -0.03 1.03 1.41 -2.03 0.00 0.00 175.02 175.63 3irs s MET 155 N 0.57 3.29 0.00 3.16 1.75 -0.94 -1.33 119.30 125.80 3irs s MET 155 Ca -0.06 -0.31 0.00 0.00 -1.25 0.00 0.00 55.69 54.07 3irs s MET 155 Cb -0.10 -4.10 0.00 0.00 2.84 0.00 0.00 34.83 33.47 3irs s MET 155 CO -0.01 -1.68 0.87 0.25 -0.65 0.00 0.00 175.02 173.81 3irs n THR 156 N 6.23 0.76 -4.54 10.11 -2.24 -1.20 -4.81 114.28 118.59 3irs n THR 156 Ca 0.02 -0.79 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 3irs n THR 156 Cb 0.47 0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.76 2.28 0.00 3.38 0.00 -1.17 -4.17 107.32 106.88 3irs s GLY 157 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.54 3irs s GLY 157 CO 0.00 -1.98 0.00 0.61 0.00 0.00 0.00 173.10 171.73 3irs n GLY 158 N -0.83 0.23 2.52 0.20 0.00 0.63 -3.76 105.19 104.17 3irs n GLY 158 Ca -0.04 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 0.68 7.46 0.26 1.61 3.02 -1.26 -4.70 115.26 122.33 3irs n ASN 159 Ca 0.00 -2.97 0.16 0.00 -0.03 0.00 0.00 54.58 51.74 3irs n ASN 159 Cb 0.00 -1.45 0.61 0.00 -0.61 0.00 0.00 39.78 38.33 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 4.99 1.01 -2.85 5.41 0.00 -1.88 -3.47 119.26 122.48 3irs h ALA 160 Ca 0.69 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.49 3irs h ALA 160 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3irs h ALA 160 CO 1.61 0.05 0.00 0.41 0.00 0.00 0.00 179.25 181.32 3irs n GLY 161 N 0.13 2.34 0.30 0.00 0.00 -1.26 -3.40 105.19 103.30 3irs n GLY 161 Ca 0.01 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.84 3irs n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3irs h PRO 162 N 0.00 0.00 -4.00 1.61 0.13 -1.91 -3.45 132.00 124.38 3irs h PRO 162 Ca -0.11 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.76 3irs h PRO 162 Cb 0.45 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.52 3irs h PRO 162 CO 0.15 0.00 -0.12 0.16 -0.23 0.00 0.00 178.00 177.95 3irs s ASP 163 N -6.24 0.92 0.33 1.44 1.47 -1.26 -5.05 116.67 108.28 3irs s ASP 163 Ca -0.05 -1.50 0.25 0.00 1.18 0.00 0.00 52.55 52.43 3irs s ASP 163 Cb 0.16 0.71 1.15 0.00 -0.34 0.00 0.00 42.92 44.60 3irs s ASP 163 CO 0.58 -1.38 1.76 -0.29 0.68 0.00 0.00 175.17 176.52 3irs h ILE 164 N 2.06 0.00 0.00 2.11 2.10 -1.96 -2.21 117.51 119.61 3irs h ILE 164 Ca -0.29 -0.18 -0.01 0.00 1.08 0.00 0.00 64.86 65.45 3irs h ILE 164 Cb 1.24 0.89 -0.00 0.00 -1.09 0.00 0.00 36.82 37.85 3irs h ILE 164 CO 0.39 0.00 -0.07 0.71 -1.08 0.00 0.00 178.15 178.10 3irs h THR 165 N 0.00 0.38 0.00 2.19 1.35 -1.97 -1.73 112.91 113.13 3irs h THR 165 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3irs h THR 165 Cb 0.26 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3irs h THR 165 CO 0.00 0.07 0.00 -1.22 -0.25 0.00 0.00 175.52 174.12 3irs n TYR 166 N -3.49 0.00 0.09 4.73 4.01 -0.83 -2.07 117.16 119.60 3irs n TYR 166 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 3irs n TYR 166 Cb 0.20 -0.38 0.04 0.00 -0.31 0.00 0.00 39.34 38.89 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 -1.38 0.40 -1.72 -0.72 -2.24 -0.66 -4.74 114.28 103.23 3irs n THR 167 Ca 0.08 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 3irs n THR 167 Cb 0.21 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.15 3.52 0.01 3.42 2.85 -0.88 -4.82 115.26 119.51 3irs n ASN 168 Ca 0.04 1.13 0.05 0.00 -0.11 0.00 0.00 54.58 55.69 3irs n ASN 168 Cb 0.21 -1.53 0.21 0.00 1.24 0.00 0.00 39.78 39.91 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 2.41 0.01 0.24 1.20 -0.04 -1.26 -2.57 135.00 135.00 3irs n PRO 169 Ca 0.11 0.36 0.06 0.00 -0.04 0.00 0.00 63.50 64.00 3irs n PRO 169 Cb 0.34 -1.53 0.56 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.00 0.23 0.54 4.11 -1.96 -2.39 114.58 115.12 3irs h GLU 170 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3irs h GLU 170 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3irs h GLU 170 CO 0.00 0.12 -0.11 0.45 0.07 0.00 0.00 179.01 179.54 3irs h HIS 171 N 0.00 -0.29 -0.37 2.06 3.86 -1.87 -2.29 115.15 116.25 3irs h HIS 171 Ca -0.00 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 3irs h HIS 171 Cb 0.21 0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3irs h HIS 171 CO 0.00 0.09 0.00 0.97 0.86 0.00 0.00 177.93 179.85 3irs h ILE 172 N -0.82 1.21 -0.51 2.45 2.10 -1.75 -2.86 117.51 117.33 3irs h ILE 172 Ca -0.03 -0.83 -0.06 0.00 1.08 0.00 0.00 64.86 65.01 3irs h ILE 172 Cb 0.51 0.92 -0.02 0.00 -1.09 0.00 0.00 36.82 37.14 3irs h ILE 172 CO 0.05 0.29 0.07 -0.78 -1.08 0.00 0.00 178.15 176.70 3irs h ASP 173 N 0.56 0.76 -0.36 2.19 3.58 -1.39 -1.15 116.42 120.60 3irs h ASP 173 Ca 0.12 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 3irs h ASP 173 Cb 0.35 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3irs h ASP 173 CO 0.01 0.78 0.11 0.03 -2.88 0.00 0.00 179.24 177.29 3irs h ARG 174 N 0.77 0.57 -0.10 0.28 3.08 -1.19 -0.47 114.38 117.32 3irs h ARG 174 Ca 0.16 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3irs h ARG 174 Cb 0.36 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3irs h ARG 174 CO 0.01 0.59 0.06 0.28 -1.07 0.00 0.00 179.97 179.84 3irs h VAL 175 N 0.44 1.03 -0.89 2.04 2.07 -1.29 -1.07 116.25 118.58 3irs h VAL 175 Ca 0.12 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3irs h VAL 175 Cb 0.26 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3irs h VAL 175 CO -0.00 0.03 0.59 -0.07 0.02 0.00 0.00 177.57 178.13 3irs h LEU 176 N 0.13 1.01 -0.65 2.57 3.38 -1.13 0.32 115.31 120.93 3irs h LEU 176 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3irs h LEU 176 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3irs h LEU 176 CO -0.01 0.72 0.37 1.23 0.09 0.00 0.00 178.44 180.84 3irs h GLY 177 N 1.19 0.97 1.41 0.83 0.00 -0.83 -3.03 103.07 103.61 3irs h GLY 177 Ca 0.34 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3irs h GLY 177 CO -0.09 0.41 -0.45 -0.55 0.00 0.00 0.00 176.54 175.87 3irs h ASP 178 N 0.89 0.00 -2.09 0.19 3.32 -0.73 -3.36 116.42 114.64 3irs h ASP 178 Ca 0.23 -0.14 -0.57 0.00 0.02 0.00 0.00 57.03 56.57 3irs h ASP 178 Cb 0.02 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.16 3irs h ASP 178 CO -0.04 0.07 -0.89 0.49 -1.72 0.00 0.00 179.24 177.15 3irs n PHE 179 N -2.20 1.50 0.54 4.55 3.72 0.06 -4.99 117.46 120.64 3irs n PHE 179 Ca 0.04 -3.84 0.08 0.00 -0.05 0.00 0.00 57.45 53.68 3irs n PHE 179 Cb 0.44 -0.44 0.36 0.00 -0.94 0.00 0.00 39.48 38.90 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 0.99 0.02 -0.19 -1.08 -0.04 -1.15 -1.42 135.00 132.14 3irs n PRO 180 Ca 0.25 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 64.03 3irs n PRO 180 Cb 0.49 -1.54 0.17 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.57 3.03 -4.65 3.54 8.00 -1.26 -4.63 116.55 119.00 3irs n ASP 181 Ca 0.04 -1.92 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 3irs n ASP 181 Cb 0.19 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.05 4.11 -0.22 0.64 2.96 -0.51 -4.93 118.68 119.69 3irs s LEU 182 Ca 0.28 1.06 -0.29 0.00 -0.22 0.00 0.00 54.13 54.96 3irs s LEU 182 Cb 0.15 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 3irs s LEU 182 CO 0.20 -0.47 1.47 -0.89 -1.32 0.00 0.00 176.35 175.34 3irs s THR 183 N 2.60 3.91 -0.07 3.68 2.01 -1.26 -4.73 115.64 121.79 3irs s THR 183 Ca 0.35 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.45 3irs s THR 183 Cb -0.16 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 3irs s THR 183 CO 0.09 -0.30 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.81 3irs s VAL 184 N 4.56 2.31 -0.20 3.82 1.01 -0.93 -0.77 120.40 130.19 3irs s VAL 184 Ca 0.64 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3irs s VAL 184 Cb -0.23 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 3irs s VAL 184 CO 0.25 0.57 -0.08 -0.69 0.00 0.00 0.00 175.10 175.15 3irs s VAL 185 N -0.15 3.13 -0.57 2.92 1.01 -0.12 -0.37 120.40 126.24 3irs s VAL 185 Ca -0.03 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 3irs s VAL 185 Cb -0.14 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3irs s VAL 185 CO 0.04 0.46 0.99 -0.55 0.00 0.00 0.00 175.10 176.04 3irs s SER 186 N 1.27 6.33 0.38 3.32 0.15 -0.04 -0.83 113.70 124.27 3irs s SER 186 Ca 0.03 -0.35 -0.25 0.00 0.70 0.00 0.00 55.95 56.08 3irs s SER 186 Cb -0.14 -2.46 -0.09 0.00 -1.71 0.00 0.00 66.02 61.62 3irs s SER 186 CO -0.03 -1.31 1.08 -0.94 1.20 0.00 0.00 173.24 173.23 3irs s SER 187 N 2.97 6.81 -0.15 5.45 1.04 -0.44 -1.62 113.70 127.76 3irs s SER 187 Ca 0.32 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.87 3irs s SER 187 Cb -0.12 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3irs s SER 187 CO 0.19 -0.46 0.00 1.41 0.98 0.00 0.00 173.24 175.36 3irs n HIS 188 N 0.18 0.00 -1.65 5.02 8.25 -0.22 -3.04 115.22 123.76 3irs n HIS 188 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 3irs n HIS 188 Cb 0.48 -1.56 -0.05 0.00 1.12 0.00 0.00 29.99 29.98 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 -0.20 0.97 2.50 -1.41 0.00 -0.64 -1.69 105.19 104.73 3irs n GLY 189 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.94 -5.02 -4.75 1.61 5.15 -1.26 -4.82 115.26 105.24 3irs n ASN 190 Ca -0.15 0.40 -0.42 0.00 -0.60 0.00 0.00 54.58 53.80 3irs n ASN 190 Cb 0.52 -3.93 -0.01 0.00 -0.53 0.00 0.00 39.78 35.83 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 -2.50 2.80 1.48 1.20 -0.00 -0.68 -1.66 117.44 118.08 3irs n TRP 191 Ca -0.16 0.40 0.14 0.00 -0.00 0.00 0.00 57.50 57.88 3irs n TRP 191 Cb 0.54 -2.53 0.52 0.00 -0.00 0.00 0.00 31.31 29.84 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 1.07 1.51 -1.71 5.87 -0.04 -1.26 -0.27 135.00 140.18 3irs n PRO 192 Ca 0.05 -0.86 -0.41 0.00 -0.04 0.00 0.00 63.50 62.24 3irs n PRO 192 Cb 0.37 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.00 2.86 -0.00 0.54 7.02 -0.66 -4.70 117.44 122.51 3irs n TRP 193 Ca 0.18 -2.97 -0.17 0.00 -1.02 0.00 0.00 57.50 53.52 3irs n TRP 193 Cb 0.34 -2.32 -0.13 0.00 -2.42 0.00 0.00 31.31 26.79 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 3.34 1.55 -0.87 -0.99 2.07 -1.92 -0.52 116.25 118.91 3irs h VAL 194 Ca 0.68 -2.23 0.14 0.00 0.82 0.00 0.00 66.70 66.11 3irs h VAL 194 Cb 0.45 2.96 -0.09 0.00 -1.52 0.00 0.00 31.29 33.09 3irs h VAL 194 CO 1.74 0.62 0.48 1.56 0.02 0.00 0.00 177.57 181.99 3irs h GLN 195 N -0.44 0.69 -0.07 1.57 4.20 -1.95 -1.90 115.11 117.20 3irs h GLN 195 Ca -0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3irs h GLN 195 Cb 1.28 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.91 3irs h GLN 195 CO 0.09 0.45 -0.03 0.93 -0.67 0.00 0.00 178.83 179.61 3irs h GLU 196 N 0.71 0.15 0.00 1.46 3.07 -1.93 -3.10 114.58 114.94 3irs h GLU 196 Ca 0.46 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.22 3irs h GLU 196 Cb 0.59 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3irs h GLU 196 CO -0.33 0.51 -0.18 0.97 -1.40 0.00 0.00 179.01 178.58 3irs h ILE 197 N -0.22 0.86 -0.56 3.13 6.09 -0.63 -0.88 117.51 125.31 3irs h ILE 197 Ca 0.02 -0.68 -0.10 0.00 -1.37 0.00 0.00 64.86 62.72 3irs h ILE 197 Cb 0.46 1.40 -0.02 0.00 0.47 0.00 0.00 36.82 39.13 3irs h ILE 197 CO 0.01 0.18 -0.05 0.40 -3.07 0.00 0.00 178.15 175.62 3irs h ILE 198 N 0.00 1.27 -0.51 2.19 1.08 -1.33 0.39 117.51 120.60 3irs h ILE 198 Ca -0.00 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 3irs h ILE 198 Cb 0.38 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 3irs h ILE 198 CO 0.02 0.43 0.34 -0.74 -0.69 0.00 0.00 178.15 177.51 3irs h HIS 199 N 0.90 0.64 -0.16 1.37 -0.00 -1.21 -0.19 115.15 116.50 3irs h HIS 199 Ca 0.15 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3irs h HIS 199 Cb 0.61 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 3irs h HIS 199 CO 0.04 0.41 0.04 0.28 -0.00 0.00 0.00 177.93 178.70 3irs h VAL 200 N 0.69 0.94 -0.99 5.26 2.07 -0.78 0.40 116.25 123.85 3irs h VAL 200 Ca 0.19 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.69 3irs h VAL 200 Cb -0.08 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3irs h VAL 200 CO -0.04 0.02 0.65 0.00 0.02 0.00 0.00 177.57 178.22 3irs h ALA 201 N 1.11 1.28 -0.54 1.67 0.00 -0.78 0.42 119.26 122.43 3irs h ALA 201 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3irs h ALA 201 Cb 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3irs h ALA 201 CO -0.09 0.60 0.28 0.35 0.00 0.00 0.00 179.25 180.39 3irs h PHE 202 N 1.31 0.75 0.03 0.00 3.57 -0.46 -3.10 116.94 119.03 3irs h PHE 202 Ca 0.38 -0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.60 3irs h PHE 202 Cb -0.09 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.43 3irs h PHE 202 CO -0.00 0.56 -1.04 -0.09 -2.23 0.00 0.00 178.31 175.51 3irs h ARG 203 N 0.72 0.53 -4.22 1.11 2.43 -0.31 -3.43 114.38 111.21 3irs h ARG 203 Ca 0.19 -0.60 -0.70 0.00 -0.81 0.00 0.00 59.98 58.05 3irs h ARG 203 Cb 0.07 0.18 -0.33 0.00 -0.42 0.00 0.00 29.97 29.47 3irs h ARG 203 CO -0.03 1.23 -0.45 1.03 -1.51 0.00 0.00 179.97 180.24 3irs s ARG 204 N -3.20 2.29 0.16 0.20 1.81 0.14 -4.96 118.95 115.39 3irs s ARG 204 Ca -0.07 -1.99 0.19 0.00 -1.72 0.00 0.00 55.73 52.13 3irs s ARG 204 Cb 0.08 -3.72 0.81 0.00 -0.45 0.00 0.00 34.95 31.66 3irs s ARG 204 CO 0.90 -1.13 1.57 -0.35 -0.68 0.00 0.00 175.30 175.61 3irs n PRO 205 N 4.39 0.11 0.00 3.54 -0.04 -1.26 -2.01 135.00 139.74 3irs n PRO 205 Ca -0.01 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 3irs n PRO 205 Cb 0.41 -1.73 0.56 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.94 0.21 -4.71 3.54 6.94 -1.26 -4.90 115.26 113.14 3irs n ASN 206 Ca 0.02 0.02 -0.39 0.00 -0.02 0.00 0.00 54.58 54.21 3irs n ASN 206 Cb 0.17 -0.22 -0.05 0.00 -2.36 0.00 0.00 39.78 37.32 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 -2.83 4.27 -0.09 -4.53 2.96 -0.85 -2.20 118.68 115.42 3irs s LEU 207 Ca 0.19 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 55.08 3irs s LEU 207 Cb 0.19 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 3irs s LEU 207 CO 0.54 -0.11 -0.00 -0.31 -1.32 0.00 0.00 176.35 175.15 3irs s TYR 208 N 0.95 3.15 -0.19 5.38 2.02 0.50 -4.88 117.35 124.28 3irs s TYR 208 Ca 0.32 0.18 -0.05 0.00 -0.37 0.00 0.00 57.07 57.15 3irs s TYR 208 Cb -0.16 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3irs s TYR 208 CO 0.14 0.45 -0.01 -0.51 -1.57 0.00 0.00 175.55 174.05 3irs s LEU 209 N -0.85 3.22 -0.62 -1.29 1.43 0.43 -0.87 118.68 120.13 3irs s LEU 209 Ca 0.13 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 3irs s LEU 209 Cb -0.11 -1.81 0.16 0.00 0.03 0.00 0.00 46.19 44.46 3irs s LEU 209 CO 0.02 0.07 0.43 -0.55 0.23 0.00 0.00 176.35 176.55 3irs s SER 210 N 0.93 4.13 0.64 2.29 0.15 -0.76 -1.29 113.70 119.79 3irs s SER 210 Ca 0.01 -3.55 0.39 0.00 0.70 0.00 0.00 55.95 53.50 3irs s SER 210 Cb -0.14 -1.39 2.18 0.00 -1.71 0.00 0.00 66.02 64.95 3irs s SER 210 CO 0.02 -0.13 2.32 1.55 1.20 0.00 0.00 173.24 178.20 3irs h PRO 211 N 5.64 0.00 0.00 5.44 0.13 -1.80 -0.37 132.00 141.04 3irs h PRO 211 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3irs h PRO 211 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3irs h PRO 211 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 3irs n ASP 212 N -3.34 0.00 0.13 1.44 5.68 -1.26 -1.51 116.55 117.70 3irs n ASP 212 Ca -0.03 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.30 3irs n ASP 212 Cb 0.09 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.53 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 0.24 0.00 0.11 -0.00 -1.76 -2.75 114.93 110.77 3irs h MET 213 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 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 0.28 0.00 0.66 -0.00 0.00 0.00 176.91 177.85 3irs n TYR 214 N -4.38 0.00 0.28 -0.10 4.01 -0.57 -2.51 117.16 113.90 3irs n TYR 214 Ca -0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.89 3irs n TYR 214 Cb 0.18 -0.31 0.80 0.00 -0.31 0.00 0.00 39.34 39.71 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 0.00 0.00 -8.54 7.72 5.85 -1.56 -3.41 115.31 115.37 3irs h LEU 215 Ca 0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 3irs h LEU 215 Cb 0.27 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 3irs h LEU 215 CO 0.00 0.07 0.60 -0.47 -0.34 0.00 0.00 178.44 178.30 3irs s TYR 216 N -4.02 2.81 -1.46 1.25 5.04 -1.04 -4.30 117.35 115.62 3irs s TYR 216 Ca -0.02 0.12 -0.10 0.00 -2.44 0.00 0.00 57.07 54.63 3irs s TYR 216 Cb 0.12 -4.08 0.04 0.00 0.35 0.00 0.00 41.96 38.39 3irs s TYR 216 CO 0.54 -1.30 0.90 -1.71 -1.34 0.00 0.00 175.55 172.64 3irs n ASN 217 N 7.46 -5.48 -4.24 4.32 5.15 -1.26 -4.99 115.26 116.22 3irs n ASN 217 Ca 0.03 -0.55 -0.13 0.00 -0.60 0.00 0.00 54.58 53.33 3irs n ASN 217 Cb 0.48 -4.37 -0.10 0.00 -0.53 0.00 0.00 39.78 35.25 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 -7.07 2.32 0.50 1.20 1.43 -1.26 -5.10 118.68 110.70 3irs s LEU 218 Ca 0.53 -1.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 3irs s LEU 218 Cb -0.25 -0.16 -0.09 0.00 0.03 0.00 0.00 46.19 45.72 3irs s LEU 218 CO 0.66 -0.48 0.84 -2.65 0.23 0.00 0.00 176.35 174.95 3irs n PRO 219 N -0.21 0.96 0.00 1.29 -0.02 -1.26 -2.46 135.00 133.30 3irs n PRO 219 Ca -0.09 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3irs n PRO 219 Cb 0.62 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 1.41 2.13 0.33 -1.23 0.00 -1.26 -4.94 105.19 101.63 3irs n GLY 220 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.88 -0.55 1.61 6.17 -1.77 -0.83 115.15 118.91 3irs h HIS 221 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.12 3irs h HIS 221 Cb 0.00 0.40 -0.03 0.00 2.52 0.00 0.00 27.41 30.30 3irs h HIS 221 CO 0.00 -0.40 0.35 0.00 0.71 0.00 0.00 177.93 178.59 3irs h ALA 222 N 0.34 1.59 -0.41 5.26 0.00 -1.92 -1.94 119.26 122.18 3irs h ALA 222 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3irs h ALA 222 Cb 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3irs h ALA 222 CO -0.31 0.38 0.19 -0.44 0.00 0.00 0.00 179.25 179.06 3irs h ASP 223 N 0.75 0.55 -0.36 0.00 3.32 -1.80 -0.45 116.42 118.43 3irs h ASP 223 Ca 0.20 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3irs h ASP 223 Cb -0.07 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3irs h ASP 223 CO -0.04 0.54 0.16 -0.26 -1.72 0.00 0.00 179.24 177.92 3irs h PHE 224 N 0.52 0.53 -0.36 4.55 0.04 -0.61 -1.34 116.94 120.27 3irs h PHE 224 Ca 0.14 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 3irs h PHE 224 Cb 0.14 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3irs h PHE 224 CO -0.01 0.47 -0.19 0.82 -0.60 0.00 0.00 178.31 178.80 3irs h ILE 225 N 0.43 1.29 -0.66 -0.55 1.08 -1.27 -0.12 117.51 117.70 3irs h ILE 225 Ca 0.12 -1.32 0.04 0.00 -0.39 0.00 0.00 64.86 63.32 3irs h ILE 225 Cb 0.15 1.37 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 3irs h ILE 225 CO -0.01 0.43 0.39 -0.61 -0.69 0.00 0.00 178.15 177.66 3irs h GLN 226 N 0.55 0.72 -0.71 2.37 4.15 -1.02 -1.85 115.11 119.32 3irs h GLN 226 Ca 0.08 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 3irs h GLN 226 Cb 0.74 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 3irs h GLN 226 CO 0.06 0.47 0.28 0.00 -1.93 0.00 0.00 178.83 177.71 3irs h ALA 227 N 1.32 0.93 -0.18 3.38 0.00 -0.87 -2.77 119.26 121.07 3irs h ALA 227 Ca 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3irs h ALA 227 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3irs h ALA 227 CO -0.15 0.55 0.12 0.00 0.00 0.00 0.00 179.25 179.78 3irs h ALA 228 N 1.13 1.94 -0.11 0.00 0.00 -0.33 -0.26 119.26 121.64 3irs h ALA 228 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3irs h ALA 228 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3irs h ALA 228 CO -0.02 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3irs n ASN 229 N -4.51 1.69 0.00 0.00 3.02 -0.76 -3.16 115.26 111.54 3irs n ASN 229 Ca 0.00 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 3irs n ASN 229 Cb 0.12 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3irs n ASN 229 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3irs n SER 230 N 0.32 0.00 0.31 6.41 3.41 -0.36 -4.98 113.62 118.73 3irs n SER 230 Ca 0.17 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.97 3irs n SER 230 Cb 0.36 0.00 1.01 0.00 -0.26 0.00 0.00 64.21 65.32 3irs n SER 230 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3irs h PHE 231 N 0.00 0.00 -0.41 7.33 -5.15 -1.86 -3.03 116.94 113.83 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 0.02 0.00 -0.11 -2.00 0.00 0.00 178.31 176.22 3irs n LEU 232 N -3.42 3.02 -0.34 2.10 7.94 -0.25 -4.41 117.00 121.64 3irs n LEU 232 Ca -0.03 -1.36 0.22 0.00 -1.11 0.00 0.00 56.01 53.74 3irs n LEU 232 Cb 0.11 -0.27 0.48 0.00 0.53 0.00 0.00 43.42 44.28 3irs n LEU 232 CO 0.24 0.68 1.20 0.00 -1.11 0.00 0.00 177.39 178.40 3irs h ALA 233 N 4.30 2.14 -0.01 1.96 0.00 -1.48 -0.65 119.26 125.52 3irs h ALA 233 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3irs h ALA 233 Cb 0.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3irs h ALA 233 CO 0.00 -0.59 -0.24 -0.25 0.00 0.00 0.00 179.25 178.18 3irs n ASP 234 N -4.72 0.86 -0.16 0.00 8.00 -1.26 -4.27 116.55 115.00 3irs n ASP 234 Ca 0.27 -0.77 0.04 0.00 0.71 0.00 0.00 54.79 55.04 3irs n ASP 234 Cb 0.88 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 42.13 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 -0.78 1.09 -4.58 -1.24 5.12 -0.28 -4.85 116.66 111.15 3irs n ARG 235 Ca 0.12 -1.62 -0.33 0.00 -1.93 0.00 0.00 57.85 54.09 3irs n ARG 235 Cb 0.33 -0.98 -0.11 0.00 -1.16 0.00 0.00 32.46 30.54 3irs n ARG 235 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 3irs s MET 236 N -1.28 2.59 -0.16 5.56 1.75 -1.02 -0.43 119.30 126.31 3irs s MET 236 Ca 0.12 -0.67 0.00 0.00 -1.25 0.00 0.00 55.69 53.89 3irs s MET 236 Cb 0.11 -2.51 0.03 0.00 2.84 0.00 0.00 34.83 35.30 3irs s MET 236 CO 0.01 0.62 -0.11 -0.51 -0.65 0.00 0.00 175.02 174.38 3irs s LEU 237 N -1.12 1.75 0.34 4.11 1.43 -0.41 -4.36 118.68 120.41 3irs s LEU 237 Ca 0.15 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 3irs s LEU 237 Cb -0.11 -1.11 -0.11 0.00 0.03 0.00 0.00 46.19 44.88 3irs s LEU 237 CO 0.04 -0.10 1.53 0.33 0.23 0.00 0.00 176.35 178.39 3irs n PHE 238 N 4.79 2.90 -3.53 0.29 7.35 -0.52 -4.50 117.46 124.24 3irs n PHE 238 Ca -0.15 0.36 -0.16 0.00 -0.76 0.00 0.00 57.45 56.73 3irs n PHE 238 Cb 0.49 -2.56 -0.06 0.00 0.35 0.00 0.00 39.48 37.70 3irs n PHE 238 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3irs s GLY 239 N 0.17 -0.52 0.03 7.13 0.00 -1.26 -1.49 107.32 111.38 3irs s GLY 239 Ca 0.59 1.47 0.21 0.00 0.00 0.00 0.00 44.72 46.98 3irs s GLY 239 CO 0.56 0.98 0.64 -1.30 0.00 0.00 0.00 173.10 173.98 3irs n THR 240 N 0.88 0.50 -1.86 0.90 -2.24 -1.25 -4.26 114.28 106.95 3irs n THR 240 Ca -0.17 -0.58 -0.18 0.00 -2.27 0.00 0.00 64.05 60.85 3irs n THR 240 Cb 0.57 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.31 -0.38 -1.58 6.98 0.00 -0.58 -3.78 120.51 118.87 3irs n ALA 241 Ca -0.07 0.23 -0.46 0.00 0.00 0.00 0.00 53.44 53.13 3irs n ALA 241 Cb 0.67 -1.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.13 1.23 1.86 0.00 9.36 -0.90 -0.08 117.16 125.49 3irs n TYR 242 Ca -0.19 0.70 0.11 0.00 3.32 0.00 0.00 57.90 61.84 3irs n TYR 242 Cb 0.61 -2.26 0.63 0.00 -0.63 0.00 0.00 39.34 37.70 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 1.22 1.14 -0.16 2.98 -0.04 -1.26 -1.33 135.00 137.56 3irs n PRO 243 Ca 0.12 -0.21 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 3irs n PRO 243 Cb 0.28 -1.37 0.32 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.46 0.81 -6.55 0.54 2.86 -0.79 -3.42 114.93 108.84 3irs h MET 244 Ca 0.00 -0.05 -0.64 0.00 -2.06 0.00 0.00 59.70 56.96 3irs h MET 244 Cb 0.10 -0.18 -0.23 0.00 0.06 0.00 0.00 31.60 31.35 3irs h MET 244 CO 0.00 0.54 -0.85 0.00 1.06 0.00 0.00 176.91 177.65 3irs s PRO 246 N -1.81 4.46 0.16 0.00 0.04 -1.26 -4.00 135.00 132.59 3irs s PRO 246 Ca 0.10 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 3irs s PRO 246 Cb -0.10 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.33 3irs s PRO 246 CO 0.04 -0.08 1.77 -0.07 0.04 0.00 0.00 177.00 178.71 3irs h LEU 247 N 4.15 0.60 0.65 -3.56 3.38 -1.96 -2.65 115.31 115.92 3irs h LEU 247 Ca -0.47 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 3irs h LEU 247 Cb 1.22 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.82 3irs h LEU 247 CO 0.70 0.51 -0.31 0.50 0.09 0.00 0.00 178.44 179.92 3irs h LYS 248 N 0.64 -0.84 -0.13 1.13 3.64 -1.93 -2.04 116.57 117.04 3irs h LYS 248 Ca 0.17 0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.40 3irs h LYS 248 Cb 0.04 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3irs h LYS 248 CO -0.03 -0.52 -0.74 0.93 -2.27 0.00 0.00 179.45 176.82 3irs h GLU 249 N -1.06 0.65 0.19 1.90 3.07 -1.97 -1.79 114.58 115.57 3irs h GLU 249 Ca -0.09 -0.52 -0.01 0.00 -0.50 0.00 0.00 59.36 58.25 3irs h GLU 249 Cb 0.71 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 3irs h GLU 249 CO 0.15 1.14 -0.09 -0.92 -1.40 0.00 0.00 179.01 177.88 3irs h TYR 250 N 0.45 -0.24 -0.59 4.33 3.20 -1.55 -1.96 116.97 120.61 3irs h TYR 250 Ca -0.04 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3irs h TYR 250 Cb 1.34 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.67 3irs h TYR 250 CO 0.07 -0.10 0.31 1.15 -1.64 0.00 0.00 178.16 177.95 3irs h THR 251 N -0.32 1.20 -0.12 1.81 2.02 -1.35 0.10 112.91 116.24 3irs h THR 251 Ca -0.03 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.65 3irs h THR 251 Cb 0.25 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3irs h THR 251 CO 0.04 0.22 0.00 -0.08 0.37 0.00 0.00 175.52 176.07 3irs h GLU 252 N 0.80 0.04 -0.53 6.66 4.81 -1.32 -0.15 114.58 124.89 3irs h GLU 252 Ca 0.21 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3irs h GLU 252 Cb 0.07 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3irs h GLU 252 CO -0.03 0.03 0.32 2.35 -0.73 0.00 0.00 179.01 180.95 3irs h TRP 253 N 0.04 0.60 -0.61 0.92 7.01 -1.03 -2.93 115.95 119.97 3irs h TRP 253 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 3irs h TRP 253 Cb 0.06 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 3irs h TRP 253 CO -0.14 0.35 0.33 0.35 -2.79 0.00 0.00 178.44 176.54 3irs h PHE 254 N 0.64 0.84 -0.01 2.65 3.57 -0.15 -1.67 116.94 122.82 3irs h PHE 254 Ca 0.21 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3irs h PHE 254 Cb 0.02 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 3irs h PHE 254 CO -0.06 0.61 0.03 -0.07 -2.23 0.00 0.00 178.31 176.58 3irs h LEU 255 N 0.82 0.00 -0.40 0.59 3.38 -0.86 -1.80 115.31 117.05 3irs h LEU 255 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3irs h LEU 255 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3irs h LEU 255 CO -0.03 0.00 -0.08 0.35 0.09 0.00 0.00 178.44 178.77 3irs n THR 256 N -3.22 0.00 -2.50 0.22 -2.24 -0.63 -4.95 114.28 100.97 3irs n THR 256 Ca -0.03 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 3irs n THR 256 Cb 0.10 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.27 4.03 -1.48 3.22 1.43 -0.68 -4.91 118.68 118.03 3irs s LEU 257 Ca 0.34 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.36 3irs s LEU 257 Cb 0.21 -4.30 0.03 0.00 0.03 0.00 0.00 46.19 42.15 3irs s LEU 257 CO 0.42 -0.65 2.31 -0.81 0.23 0.00 0.00 176.35 177.85 3irs n PRO 258 N -0.40 2.94 -4.36 1.29 -0.04 -1.26 -4.86 135.00 128.30 3irs n PRO 258 Ca 0.07 -2.56 -0.34 0.00 -0.04 0.00 0.00 63.50 60.63 3irs n PRO 258 Cb 0.50 -3.24 -0.13 0.00 -0.04 0.00 0.00 33.50 30.59 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 3.09 3.59 0.52 0.52 1.01 -1.26 -4.97 121.20 123.70 3irs s ILE 259 Ca 0.49 -0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 3irs s ILE 259 Cb 0.14 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 3irs s ILE 259 CO -0.09 0.48 1.28 2.29 0.00 0.00 0.00 174.94 178.90 3irs n LYS 260 N 3.86 1.63 -0.30 2.79 2.85 -1.26 -4.57 118.16 123.16 3irs n LYS 260 Ca -0.18 0.60 0.07 0.00 -1.05 0.00 0.00 58.31 57.75 3irs n LYS 260 Cb 0.52 -2.46 0.29 0.00 -0.65 0.00 0.00 35.03 32.73 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 1.46 0.88 -0.56 -1.58 0.11 -1.98 0.16 132.00 130.48 3irs h PRO 261 Ca -0.50 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.47 3irs h PRO 261 Cb 1.31 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3irs h PRO 261 CO 0.57 0.58 0.00 -0.44 -0.21 0.00 0.00 178.00 178.50 3irs h ASP 262 N 0.90 0.98 -0.32 -2.05 5.19 -2.00 -1.55 116.42 117.58 3irs h ASP 262 Ca 0.43 -0.31 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 3irs h ASP 262 Cb 0.42 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3irs h ASP 262 CO -0.19 1.05 -0.24 0.00 -3.12 0.00 0.00 179.24 176.74 3irs h ALA 263 N 0.97 0.82 -0.57 3.45 0.00 -1.66 -2.52 119.26 119.75 3irs h ALA 263 Ca 0.16 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3irs h ALA 263 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3irs h ALA 263 CO 0.03 0.64 0.37 1.98 0.00 0.00 0.00 179.25 182.28 3irs h MET 264 N 0.70 0.74 -0.32 0.00 1.85 -0.35 0.10 114.93 117.65 3irs h MET 264 Ca 0.09 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 3irs h MET 264 Cb 0.77 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.62 3irs h MET 264 CO 0.06 0.49 0.21 0.93 -0.40 0.00 0.00 176.91 178.20 3irs h GLU 265 N 0.76 0.42 -0.01 0.39 5.08 -1.24 -0.11 114.58 119.86 3irs h GLU 265 Ca 0.21 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3irs h GLU 265 Cb -0.07 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3irs h GLU 265 CO -0.05 0.28 0.01 0.87 -1.00 0.00 0.00 179.01 179.11 3irs h LYS 266 N 0.43 0.02 -0.45 2.33 1.57 -0.98 -2.19 116.57 117.29 3irs h LYS 266 Ca 0.12 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 3irs h LYS 266 Cb -0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3irs h LYS 266 CO -0.02 0.08 -0.14 0.82 -0.57 0.00 0.00 179.45 179.62 3irs h ILE 267 N -0.06 1.26 -0.14 1.86 2.04 -0.69 0.30 117.51 122.09 3irs h ILE 267 Ca 0.00 -1.24 -0.13 0.00 1.00 0.00 0.00 64.86 64.50 3irs h ILE 267 Cb 0.07 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3irs h ILE 267 CO -0.00 0.42 -0.48 -0.07 0.00 0.00 0.00 178.15 178.02 3irs h LEU 268 N 0.74 0.38 0.00 1.44 3.38 -1.00 -1.37 115.31 118.89 3irs h LEU 268 Ca 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3irs h LEU 268 Cb 0.65 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3irs h LEU 268 CO 0.05 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.38 3irs n HIS 269 N -3.98 -0.31 -0.16 1.13 1.44 -0.91 -0.58 115.22 111.85 3irs n HIS 269 Ca -0.02 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.64 3irs n HIS 269 Cb 0.54 0.09 0.05 0.00 0.12 0.00 0.00 29.99 30.78 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 0.70 0.94 -1.39 0.00 -0.80 0.14 103.07 102.66 3irs h GLY 270 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3irs h GLY 270 CO 0.00 0.13 0.15 3.43 0.00 0.00 0.00 176.54 180.25 3irs h ASN 271 N 0.52 0.39 -0.27 0.19 2.35 -0.69 -2.15 115.58 115.93 3irs h ASN 271 Ca 0.22 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3irs h ASN 271 Cb 0.10 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3irs h ASN 271 CO -0.14 0.40 0.11 0.00 -1.65 0.00 0.00 177.43 176.15 3irs h ALA 272 N 1.01 0.36 -0.55 -0.83 0.00 -1.70 -1.67 119.26 115.88 3irs h ALA 272 Ca 0.10 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3irs h ALA 272 Cb 0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3irs h ALA 272 CO -0.01 -0.05 0.09 0.93 0.00 0.00 0.00 179.25 180.20 3irs h GLU 273 N 0.29 0.21 -0.33 0.00 5.08 -0.64 0.16 114.58 119.34 3irs h GLU 273 Ca 0.09 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3irs h GLU 273 Cb 0.18 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3irs h GLU 273 CO -0.01 0.14 0.20 -0.09 -1.00 0.00 0.00 179.01 178.25 3irs h ARG 274 N 0.21 0.45 -0.38 2.33 2.43 -1.28 -1.39 114.38 116.75 3irs h ARG 274 Ca 0.28 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3irs h ARG 274 Cb 0.41 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3irs h ARG 274 CO -0.39 0.34 0.12 1.25 -1.51 0.00 0.00 179.97 179.78 3irs h LEU 275 N 0.43 0.55 -1.18 3.80 6.46 -0.50 -0.70 115.31 124.17 3irs h LEU 275 Ca 0.12 -0.20 -0.08 0.00 -0.12 0.00 0.00 57.88 57.59 3irs h LEU 275 Cb 0.01 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 3irs h LEU 275 CO -0.02 0.61 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.94 3irs h LEU 276 N 0.46 0.00 0.10 2.25 3.38 -0.60 -2.13 115.31 118.78 3irs h LEU 276 Ca 0.12 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.82 3irs h LEU 276 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3irs h LEU 276 CO -0.00 0.40 -1.26 0.00 0.09 0.00 0.00 178.44 177.66 3irs h ALA 277 N 1.60 0.19 -0.17 1.53 0.00 -1.13 -3.30 119.26 117.98 3irs h ALA 277 Ca -0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 54.91 53.87 3irs h ALA 277 Cb 0.73 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3irs h ALA 277 CO 0.05 1.07 -0.29 0.37 0.00 0.00 0.00 179.25 180.45 3irs h GLN 278 N 0.06 0.32 -5.96 0.00 4.15 -0.94 -3.46 115.11 109.27 3irs h GLN 278 Ca -0.13 -0.12 -0.63 0.00 0.77 0.00 0.00 58.65 58.53 3irs h GLN 278 Cb 1.94 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.60 3irs h GLN 278 CO 0.18 0.59 1.46 0.00 -1.93 0.00 0.00 178.83 179.13 3irs n ALA 279 N -2.48 1.33 0.00 3.38 0.00 -0.82 -3.70 120.51 118.23 3irs n ALA 279 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3irs n ALA 279 Cb 0.41 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 6.25 0.79 0.81 0.00 0.00 -0.65 -4.90 105.19 107.49 3irs n GLY 280 Ca 0.37 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.52 3irs n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86