#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iar h ALA 6 N 0.00 1.12 -2.94 3.55 0.00 -1.90 -3.38 119.26 115.70 3iar h ALA 6 Ca 0.00 -0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.19 3iar h ALA 6 Cb 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 17.79 17.11 3iar h ALA 6 CO 0.00 0.62 -0.77 0.12 0.00 0.00 0.00 179.25 179.22 3iar s PHE 7 N -5.42 0.55 -0.39 0.00 5.36 -1.26 -4.97 117.98 111.83 3iar s PHE 7 Ca -0.11 -0.86 -0.02 0.00 -0.96 0.00 0.00 56.93 54.97 3iar s PHE 7 Cb 0.16 -0.97 0.19 0.00 -0.34 0.00 0.00 43.02 42.05 3iar s PHE 7 CO 0.82 -0.74 2.26 -0.40 -1.46 0.00 0.00 175.22 175.70 3iar n ASP 8 N 5.18 6.59 -4.18 6.13 5.75 -1.26 -4.87 116.55 129.89 3iar n ASP 8 Ca -0.06 -3.18 -0.11 0.00 -0.01 0.00 0.00 54.79 51.43 3iar n ASP 8 Cb 0.44 -1.11 -0.10 0.00 -1.03 0.00 0.00 41.12 39.32 3iar n ASP 8 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3iar s LYS 9 N -1.97 1.05 0.30 0.11 1.02 -1.26 -5.11 119.74 113.87 3iar s LYS 9 Ca 0.43 -1.52 -0.29 0.00 0.02 0.00 0.00 55.97 54.60 3iar s LYS 9 Cb 0.31 0.21 -0.13 0.00 -0.52 0.00 0.00 37.83 37.70 3iar s LYS 9 CO -0.08 -0.30 1.29 -2.30 -0.92 0.00 0.00 175.35 173.05 3iar n PRO 10 N -0.18 2.00 -4.31 -1.68 -0.02 -1.26 -4.84 135.00 124.72 3iar n PRO 10 Ca -0.03 0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 61.96 3iar n PRO 10 Cb 0.65 -2.28 -0.11 0.00 -0.02 0.00 0.00 33.50 31.73 3iar n PRO 10 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3iar s LYS 11 N -1.35 1.21 -0.11 -0.52 1.02 -0.38 -4.95 119.74 114.66 3iar s LYS 11 Ca 0.60 -1.40 0.03 0.00 0.02 0.00 0.00 55.97 55.22 3iar s LYS 11 Cb -0.61 -1.14 -0.00 0.00 -0.52 0.00 0.00 37.83 35.55 3iar s LYS 11 CO 0.58 0.22 -0.21 0.08 -0.92 0.00 0.00 175.35 175.09 3iar s VAL 12 N -2.32 2.33 -0.13 3.17 1.01 -1.26 -0.90 120.40 122.30 3iar s VAL 12 Ca 0.15 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3iar s VAL 12 Cb -0.04 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3iar s VAL 12 CO 0.05 0.55 -0.22 -0.70 0.00 0.00 0.00 175.10 174.79 3iar s GLU 13 N 0.32 3.04 -0.00 2.72 2.12 -0.60 -4.70 118.70 121.59 3iar s GLU 13 Ca -0.16 -0.85 0.08 0.00 0.36 0.00 0.00 54.97 54.40 3iar s GLU 13 Cb -0.17 -2.42 -0.10 0.00 0.26 0.00 0.00 34.13 31.70 3iar s GLU 13 CO 0.08 0.03 0.33 1.28 -0.54 0.00 0.00 175.26 176.44 3iar n LEU 14 N 3.95 0.33 -3.55 2.70 4.77 -1.26 -1.30 117.00 122.64 3iar n LEU 14 Ca -0.20 -0.42 -0.29 0.00 -0.03 0.00 0.00 56.01 55.07 3iar n LEU 14 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 3iar n LEU 14 CO 0.27 0.08 -0.30 -2.28 -1.33 0.00 0.00 177.39 173.84 3iar s HIS 15 N -1.93 1.08 -0.21 -1.77 2.46 -1.26 -4.72 115.29 108.94 3iar s HIS 15 Ca 0.02 -1.78 -0.15 0.00 0.47 0.00 0.00 55.06 53.62 3iar s HIS 15 Cb 0.06 -1.22 0.06 0.00 -0.13 0.00 0.00 32.58 31.36 3iar s HIS 15 CO 0.35 -0.82 0.52 0.54 -2.47 0.00 0.00 174.74 172.86 3iar s VAL 16 N 0.99 -0.01 -0.20 0.89 0.11 -1.26 -1.72 120.40 119.20 3iar s VAL 16 Ca 0.17 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.15 3iar s VAL 16 Cb -0.23 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 3iar s VAL 16 CO -0.03 0.01 0.13 -1.00 -3.33 0.00 0.00 175.10 170.88 3iar s HIS 17 N 0.94 3.40 0.17 1.54 3.76 0.45 -1.07 115.29 124.48 3iar s HIS 17 Ca -0.05 0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 55.03 3iar s HIS 17 Cb -0.06 -2.17 0.08 0.00 1.11 0.00 0.00 32.58 31.54 3iar s HIS 17 CO -0.08 0.26 1.81 1.25 -0.85 0.00 0.00 174.74 177.13 3iar h LEU 18 N 6.78 0.45 0.00 0.89 5.85 -0.99 -1.30 115.31 126.98 3iar h LEU 18 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3iar h LEU 18 Cb 1.15 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3iar h LEU 18 CO 0.75 0.32 0.00 -0.90 -0.34 0.00 0.00 178.44 178.27 3iar n ASP 19 N -4.82 0.00 -1.48 1.25 5.75 -1.26 -1.95 116.55 114.04 3iar n ASP 19 Ca 0.03 0.41 0.08 0.00 -0.01 0.00 0.00 54.79 55.31 3iar n ASP 19 Cb 0.07 -0.46 0.34 0.00 -1.03 0.00 0.00 41.12 40.04 3iar n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iar n GLY 20 N 0.41 3.05 0.29 6.12 0.00 -0.51 -4.51 105.19 110.04 3iar n GLY 20 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.21 3iar n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iar n SER 21 N 0.66 0.24 -4.78 1.61 7.64 -0.82 -0.84 113.62 117.33 3iar n SER 21 Ca 0.25 -1.77 -0.37 0.00 1.01 0.00 0.00 58.87 57.99 3iar n SER 21 Cb 0.94 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.96 3iar n SER 21 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3iar s ILE 22 N -0.24 3.61 0.16 0.44 1.01 -1.23 -4.80 121.20 120.14 3iar s ILE 22 Ca 0.02 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.66 3iar s ILE 22 Cb 0.02 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3iar s ILE 22 CO 0.00 0.07 1.23 -0.54 0.00 0.00 0.00 174.94 175.70 3iar s LYS 23 N -2.34 4.45 0.36 2.79 1.02 -1.26 -4.84 119.74 119.93 3iar s LYS 23 Ca 0.56 1.90 0.04 0.00 0.02 0.00 0.00 55.97 58.50 3iar s LYS 23 Cb -0.24 -3.25 0.71 0.00 -0.52 0.00 0.00 37.83 34.52 3iar s LYS 23 CO 0.31 -0.17 2.00 -1.35 -0.92 0.00 0.00 175.35 175.22 3iar h PRO 24 N 5.67 0.75 -0.27 -1.68 0.11 -1.94 -0.96 132.00 133.68 3iar h PRO 24 Ca -0.44 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3iar h PRO 24 Cb 1.21 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3iar h PRO 24 CO 0.77 0.50 -0.06 0.93 -0.21 0.00 0.00 178.00 179.93 3iar h GLU 25 N 0.77 0.43 -0.29 1.05 4.39 -1.93 -1.07 114.58 117.92 3iar h GLU 25 Ca 0.25 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 3iar h GLU 25 Cb 0.03 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3iar h GLU 25 CO -0.06 0.51 -0.32 1.15 -1.16 0.00 0.00 179.01 179.12 3iar h THR 26 N 0.41 1.30 -0.29 1.13 2.02 -1.60 -0.58 112.91 115.30 3iar h THR 26 Ca 0.09 -1.50 0.06 0.00 0.77 0.00 0.00 66.41 65.83 3iar h THR 26 Cb 0.37 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 3iar h THR 26 CO 0.02 0.48 -0.12 0.40 0.37 0.00 0.00 175.52 176.67 3iar h ILE 27 N 0.48 0.61 -0.36 3.11 2.04 -1.08 -1.78 117.51 120.55 3iar h ILE 27 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3iar h ILE 27 Cb 0.90 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3iar h ILE 27 CO 0.08 0.00 0.22 0.25 0.00 0.00 0.00 178.15 178.70 3iar h LEU 28 N -0.07 0.42 -0.09 1.44 5.85 -1.10 -0.03 115.31 121.74 3iar h LEU 28 Ca 0.15 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3iar h LEU 28 Cb 0.29 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3iar h LEU 28 CO -0.33 0.33 0.03 0.22 -0.34 0.00 0.00 178.44 178.35 3iar h TYR 29 N 0.47 0.06 -0.10 1.25 3.20 -0.90 -1.80 116.97 119.15 3iar h TYR 29 Ca 0.13 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 3iar h TYR 29 Cb -0.02 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3iar h TYR 29 CO -0.04 0.03 -0.64 1.88 -1.64 0.00 0.00 178.16 177.75 3iar h TYR 30 N 0.08 0.51 -0.60 -3.82 0.05 -1.17 -0.36 116.97 111.64 3iar h TYR 30 Ca 0.04 -0.20 0.05 0.00 0.05 0.00 0.00 58.73 58.66 3iar h TYR 30 Cb 0.02 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 3iar h TYR 30 CO -0.10 0.92 0.33 0.78 -1.05 0.00 0.00 178.16 179.04 3iar h GLY 31 N 1.28 0.87 0.75 3.88 0.00 -0.86 -0.32 103.07 108.68 3iar h GLY 31 Ca -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3iar h GLY 31 CO 0.11 0.15 -0.07 -0.09 0.00 0.00 0.00 176.54 176.64 3iar h ARG 32 N 0.62 0.31 -0.61 4.80 2.43 -1.12 -0.02 114.38 120.80 3iar h ARG 32 Ca 0.27 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3iar h ARG 32 Cb 0.15 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3iar h ARG 32 CO -0.16 0.63 0.39 -0.09 -1.51 0.00 0.00 179.97 179.23 3iar h ARG 33 N -0.02 0.77 -0.01 0.20 2.43 -0.90 -2.78 114.38 114.08 3iar h ARG 33 Ca 0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3iar h ARG 33 Cb 0.54 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3iar h ARG 33 CO 0.02 0.51 -0.19 0.54 -1.51 0.00 0.00 179.97 179.34 3iar n ARG 34 N -4.68 0.81 -2.62 0.20 1.74 -0.14 -4.94 116.66 107.03 3iar n ARG 34 Ca 0.05 -0.41 -0.12 0.00 -0.77 0.00 0.00 57.85 56.60 3iar n ARG 34 Cb 0.04 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 3iar n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iar n GLY 35 N 1.31 0.04 3.36 -0.13 0.00 -0.35 -5.00 105.19 104.42 3iar n GLY 35 Ca 0.13 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3iar n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iar s ILE 36 N -2.84 3.77 0.34 -0.61 1.01 -0.17 -5.04 121.20 117.67 3iar s ILE 36 Ca 0.14 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.07 3iar s ILE 36 Cb -0.06 -2.78 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 3iar s ILE 36 CO 0.18 0.33 1.33 0.00 0.00 0.00 0.00 174.94 176.78 3iar s ALA 37 N 1.52 3.49 0.26 9.38 0.00 -1.26 -4.55 121.76 130.61 3iar s ALA 37 Ca 0.05 1.31 0.09 0.00 0.00 0.00 0.00 51.96 53.41 3iar s ALA 37 Cb -0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 3iar s ALA 37 CO -0.00 -0.71 -0.14 -0.51 0.00 0.00 0.00 175.76 174.40 3iar s LEU 38 N -1.88 2.57 0.00 0.00 1.43 -1.26 -4.92 118.68 114.62 3iar s LEU 38 Ca 0.50 -1.08 0.20 0.00 -1.03 0.00 0.00 54.13 52.72 3iar s LEU 38 Cb -0.41 -0.85 0.93 0.00 0.03 0.00 0.00 46.19 45.90 3iar s LEU 38 CO 0.54 -0.14 1.64 -0.81 0.23 0.00 0.00 176.35 177.81 3iar n PRO 39 N -0.55 1.40 -3.70 1.29 -0.04 -1.26 -4.81 135.00 127.33 3iar n PRO 39 Ca -0.06 -0.61 -0.10 0.00 -0.04 0.00 0.00 63.50 62.69 3iar n PRO 39 Cb 0.61 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 3iar n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iar s ALA 40 N -1.89 -0.92 -0.64 0.55 0.00 -1.26 -4.93 121.76 112.67 3iar s ALA 40 Ca 0.31 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.17 3iar s ALA 40 Cb 0.16 0.82 0.21 0.00 0.00 0.00 0.00 23.12 24.31 3iar s ALA 40 CO 0.25 -0.75 1.18 0.27 0.00 0.00 0.00 175.76 176.70 3iar n ASN 41 N -0.31 2.65 -4.10 0.00 6.94 -1.26 -4.81 115.26 114.37 3iar n ASN 41 Ca -0.12 -2.01 -0.09 0.00 -0.02 0.00 0.00 54.58 52.35 3iar n ASN 41 Cb 0.63 -0.16 -0.10 0.00 -2.36 0.00 0.00 39.78 37.79 3iar n ASN 41 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3iar s THR 42 N -1.01 0.13 0.18 5.53 -4.23 -1.26 -5.04 115.64 109.95 3iar s THR 42 Ca 0.16 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 3iar s THR 42 Cb 0.09 -1.85 0.10 0.00 1.34 0.00 0.00 72.50 72.18 3iar s THR 42 CO 0.11 -0.61 1.79 0.00 -0.54 0.00 0.00 174.62 175.37 3iar h ALA 43 N 2.91 0.83 -0.60 3.99 0.00 -1.94 0.60 119.26 125.05 3iar h ALA 43 Ca -0.34 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3iar h ALA 43 Cb 1.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3iar h ALA 43 CO 0.60 0.36 0.34 1.49 0.00 0.00 0.00 179.25 182.04 3iar h GLU 44 N 0.88 0.63 -0.34 0.00 4.22 -1.97 0.11 114.58 118.12 3iar h GLU 44 Ca 0.22 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.50 3iar h GLU 44 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3iar h GLU 44 CO -0.03 0.42 -0.29 0.78 -2.18 0.00 0.00 179.01 177.71 3iar h GLY 45 N 0.65 0.78 1.00 1.92 0.00 -1.85 -1.48 103.07 104.08 3iar h GLY 45 Ca 0.26 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3iar h GLY 45 CO -0.14 0.64 0.25 1.41 0.00 0.00 0.00 176.54 178.69 3iar h LEU 46 N 0.61 0.46 -1.36 3.11 3.38 -0.28 -2.35 115.31 118.89 3iar h LEU 46 Ca 0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3iar h LEU 46 Cb 0.80 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3iar h LEU 46 CO 0.07 0.35 0.02 -0.07 0.09 0.00 0.00 178.44 178.89 3iar h LEU 47 N 0.52 0.40 -1.41 1.67 3.38 -0.70 0.75 115.31 119.93 3iar h LEU 47 Ca 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3iar h LEU 47 Cb -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3iar h LEU 47 CO -0.03 0.46 0.30 0.78 0.09 0.00 0.00 178.44 180.04 3iar h ASN 48 N 0.43 0.62 0.12 -0.43 2.35 -0.78 0.19 115.58 118.08 3iar h ASN 48 Ca 0.10 -0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 3iar h ASN 48 Cb 0.26 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.48 3iar h ASN 48 CO 0.01 0.49 -0.98 0.58 -1.65 0.00 0.00 177.43 175.87 3iar h VAL 49 N 0.72 1.35 0.02 2.81 2.07 -0.89 -3.40 116.25 118.92 3iar h VAL 49 Ca 0.19 -2.47 -0.27 0.00 0.82 0.00 0.00 66.70 64.97 3iar h VAL 49 Cb -0.01 3.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 3iar h VAL 49 CO -0.03 0.69 -1.52 0.40 0.02 0.00 0.00 177.57 177.13 3iar h ILE 50 N -0.42 1.09 -4.33 4.57 2.04 -0.84 -3.47 117.51 116.15 3iar h ILE 50 Ca -0.20 -2.89 -0.51 0.00 1.00 0.00 0.00 64.86 62.27 3iar h ILE 50 Cb 1.63 2.56 0.10 0.00 -0.74 0.00 0.00 36.82 40.37 3iar h ILE 50 CO 0.10 0.66 0.36 -0.83 0.00 0.00 0.00 178.15 178.44 3iar s GLY 51 N -5.01 1.66 -0.13 5.37 0.00 0.05 -4.76 107.32 104.49 3iar s GLY 51 Ca -0.04 -0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.70 3iar s GLY 51 CO 0.82 0.34 -0.18 1.06 0.00 0.00 0.00 173.10 175.14 3iar s MET 52 N -5.08 2.62 0.01 2.90 -1.94 0.09 -4.94 119.30 112.95 3iar s MET 52 Ca 0.59 -0.70 0.22 0.00 -1.71 0.00 0.00 55.69 54.08 3iar s MET 52 Cb -0.14 -2.18 -0.27 0.00 2.01 0.00 0.00 34.83 34.25 3iar s MET 52 CO 0.55 -0.07 0.57 -0.25 -0.01 0.00 0.00 175.02 175.81 3iar n ASP 53 N 4.22 0.17 -4.16 3.03 8.00 -1.26 -4.75 116.55 121.81 3iar n ASP 53 Ca -0.19 0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.25 3iar n ASP 53 Cb 0.51 1.62 -0.10 0.00 -0.02 0.00 0.00 41.12 43.13 3iar n ASP 53 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iar s LYS 54 N -3.42 0.79 0.29 -1.24 1.02 -1.26 -5.08 119.74 110.84 3iar s LYS 54 Ca -0.07 -1.19 -0.29 0.00 0.02 0.00 0.00 55.97 54.44 3iar s LYS 54 Cb 0.13 -0.32 -0.10 0.00 -0.52 0.00 0.00 37.83 37.01 3iar s LYS 54 CO 0.88 0.02 1.40 -2.14 -0.92 0.00 0.00 175.35 174.59 3iar s PRO 55 N -3.15 4.28 0.00 -1.68 0.02 -1.26 -4.88 135.00 128.32 3iar s PRO 55 Ca 0.06 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3iar s PRO 55 Cb 0.00 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3iar s PRO 55 CO -0.02 -0.35 0.00 1.28 -0.33 0.00 0.00 177.00 177.57 3iar n LEU 56 N 1.61 0.00 -4.21 -5.54 4.77 -0.29 -4.94 117.00 108.39 3iar n LEU 56 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3iar n LEU 56 Cb 0.41 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 3iar n LEU 56 CO 0.60 0.00 -0.27 0.42 -1.33 0.00 0.00 177.39 176.81 3iar s THR 57 N 2.92 0.21 0.14 -5.08 -4.23 -1.25 -4.12 115.64 104.23 3iar s THR 57 Ca 0.00 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 3iar s THR 57 Cb 0.00 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3iar s THR 57 CO 0.00 -0.19 1.69 0.25 -0.54 0.00 0.00 174.62 175.83 3iar h LEU 58 N 2.66 0.62 -0.98 4.79 5.85 -1.92 -1.01 115.31 125.33 3iar h LEU 58 Ca -0.36 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 3iar h LEU 58 Cb 1.23 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3iar h LEU 58 CO 0.57 0.62 0.36 -0.65 -0.34 0.00 0.00 178.44 179.00 3iar h PRO 59 N 0.59 1.09 -0.81 5.25 0.11 -1.97 0.64 132.00 136.89 3iar h PRO 59 Ca 0.15 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3iar h PRO 59 Cb 0.19 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3iar h PRO 59 CO -0.01 0.84 0.36 -0.44 -0.21 0.00 0.00 178.00 178.54 3iar h ASP 60 N 1.08 1.09 -0.21 -2.05 3.32 -1.87 -1.70 116.42 116.09 3iar h ASP 60 Ca 0.26 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3iar h ASP 60 Cb 0.12 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3iar h ASP 60 CO -0.03 0.94 0.02 0.15 -1.72 0.00 0.00 179.24 178.60 3iar h PHE 61 N 1.17 0.02 0.00 4.55 3.57 -0.77 -2.97 116.94 122.51 3iar h PHE 61 Ca 0.28 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 3iar h PHE 61 Cb 0.16 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3iar h PHE 61 CO 0.02 -0.01 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.90 3iar h LEU 62 N 0.09 0.00 -1.39 0.59 3.38 -0.38 -1.38 115.31 116.23 3iar h LEU 62 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3iar h LEU 62 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3iar h LEU 62 CO -0.15 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.50 3iar h ALA 63 N 1.88 1.00 0.00 1.53 0.00 -1.15 -2.95 119.26 119.56 3iar h ALA 63 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3iar h ALA 63 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iar h ALA 63 CO 0.02 0.00 -0.21 0.87 0.00 0.00 0.00 179.25 179.93 3iar h LYS 64 N 0.00 0.00 -0.22 0.00 1.79 -1.30 -2.65 116.57 114.19 3iar h LYS 64 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3iar h LYS 64 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3iar h LYS 64 CO 0.00 0.21 0.12 0.74 -1.08 0.00 0.00 179.45 179.44 3iar h PHE 65 N 0.00 0.28 0.00 -1.35 0.04 -1.70 -2.39 116.94 111.82 3iar h PHE 65 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3iar h PHE 65 Cb 0.40 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 3iar h PHE 65 CO 0.00 0.20 -0.00 -0.44 -0.60 0.00 0.00 178.31 177.46 3iar h ASP 66 N 0.30 0.00 0.23 2.17 5.19 -1.68 -0.91 116.42 121.72 3iar h ASP 66 Ca 0.08 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.36 3iar h ASP 66 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3iar h ASP 66 CO -0.01 0.00 -0.49 1.88 -3.12 0.00 0.00 179.24 177.50 3iar h TYR 67 N 0.00 0.37 0.00 4.55 0.05 -1.61 -3.40 116.97 116.94 3iar h TYR 67 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3iar h TYR 67 Cb 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.67 3iar h TYR 67 CO 0.00 0.74 -0.75 2.48 -1.05 0.00 0.00 178.16 179.57 3iar n TYR 68 N -3.97 0.00 0.06 4.88 0.18 -0.96 -4.58 117.16 112.77 3iar n TYR 68 Ca -0.02 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.84 3iar n TYR 68 Cb 0.54 0.00 0.52 0.00 -0.38 0.00 0.00 39.34 40.02 3iar n TYR 68 CO 0.00 0.00 0.00 0.52 -2.08 0.00 0.00 176.86 175.30 3iar h MET 69 N 0.00 0.32 -0.61 -3.48 2.86 -1.38 -1.38 114.93 111.26 3iar h MET 69 Ca 0.00 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3iar h MET 69 Cb 0.20 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 3iar h MET 69 CO 0.00 0.21 0.41 -1.35 1.06 0.00 0.00 176.91 177.24 3iar h PRO 70 N 0.33 0.38 0.00 -0.22 0.11 -1.81 0.10 132.00 130.89 3iar h PRO 70 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3iar h PRO 70 Cb 0.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3iar h PRO 70 CO -0.03 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.01 3iar h ALA 71 N 1.70 1.00 0.00 -0.75 0.00 -1.58 -3.35 119.26 116.27 3iar h ALA 71 Ca 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 3iar h ALA 71 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3iar h ALA 71 CO -0.08 0.00 -1.58 -0.89 0.00 0.00 0.00 179.25 176.71 3iar n ILE 72 N -2.73 0.57 -1.68 0.00 2.08 -0.58 -4.40 119.36 112.62 3iar n ILE 72 Ca 0.02 -0.19 -0.42 0.00 0.56 0.00 0.00 62.75 62.72 3iar n ILE 72 Cb 0.29 -1.21 -0.00 0.00 -0.75 0.00 0.00 39.64 37.97 3iar n ILE 72 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3iar n ALA 73 N -3.10 1.00 -0.29 -1.39 0.00 -0.08 -2.30 120.51 114.35 3iar n ALA 73 Ca -0.19 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3iar n ALA 73 Cb 0.67 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3iar n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iar n GLY 74 N 0.87 1.61 3.24 0.00 0.00 0.02 -4.93 105.19 106.01 3iar n GLY 74 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3iar n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iar h ARG 76 N 8.11 1.02 -0.28 0.00 3.08 -1.95 -1.41 114.38 122.95 3iar h ARG 76 Ca -0.27 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 3iar h ARG 76 Cb 1.09 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 3iar h ARG 76 CO 0.58 0.67 -0.26 0.93 -1.07 0.00 0.00 179.97 180.82 3iar h GLU 77 N 1.05 0.67 -0.70 0.04 5.08 -1.95 -2.74 114.58 116.02 3iar h GLU 77 Ca 0.37 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3iar h GLU 77 Cb 0.14 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3iar h GLU 77 CO -0.13 0.95 0.21 0.00 -1.00 0.00 0.00 179.01 179.04 3iar h ALA 78 N 0.70 1.05 -0.31 3.43 0.00 -1.77 -1.86 119.26 120.50 3iar h ALA 78 Ca 0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 3iar h ALA 78 Cb 0.82 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iar h ALA 78 CO 0.07 0.64 -0.48 0.82 0.00 0.00 0.00 179.25 180.30 3iar h ILE 79 N 1.04 1.28 -0.60 0.00 2.04 -1.22 0.65 117.51 120.70 3iar h ILE 79 Ca 0.23 -1.66 -0.10 0.00 1.00 0.00 0.00 64.86 64.32 3iar h ILE 79 Cb 0.31 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3iar h ILE 79 CO -0.01 0.54 -0.03 0.50 0.00 0.00 0.00 178.15 179.16 3iar h LYS 80 N 0.66 1.08 -0.49 2.37 3.64 -1.48 -3.09 116.57 119.26 3iar h LYS 80 Ca 0.03 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 58.99 3iar h LYS 80 Cb 1.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3iar h LYS 80 CO 0.11 1.06 0.06 -0.09 -2.27 0.00 0.00 179.45 178.32 3iar h ARG 81 N 0.97 0.83 -0.16 1.90 2.43 -0.96 -1.98 114.38 117.42 3iar h ARG 81 Ca 0.17 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3iar h ARG 81 Cb 0.60 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3iar h ARG 81 CO 0.04 0.84 -0.12 -0.84 -1.51 0.00 0.00 179.97 178.38 3iar h ILE 82 N 0.70 1.17 -0.14 1.20 3.07 -0.90 0.56 117.51 123.18 3iar h ILE 82 Ca 0.15 -0.76 -0.01 0.00 1.55 0.00 0.00 64.86 65.79 3iar h ILE 82 Cb 0.43 1.19 -0.01 0.00 -0.27 0.00 0.00 36.82 38.16 3iar h ILE 82 CO 0.01 0.24 0.04 0.00 -1.05 0.00 0.00 178.15 177.39 3iar h ALA 83 N 1.65 0.19 0.02 0.16 0.00 -1.40 -0.06 119.26 119.82 3iar h ALA 83 Ca 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3iar h ALA 83 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iar h ALA 83 CO 0.02 -0.19 -0.05 -0.92 0.00 0.00 0.00 179.25 178.11 3iar h TYR 84 N 0.04 -0.13 -0.04 0.00 3.20 -0.98 -2.65 116.97 116.41 3iar h TYR 84 Ca 0.05 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3iar h TYR 84 Cb 0.24 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3iar h TYR 84 CO 0.00 -0.08 -0.19 0.93 -1.64 0.00 0.00 178.16 177.18 3iar h GLU 85 N -0.10 0.06 -0.60 1.82 5.08 -0.90 -2.52 114.58 117.41 3iar h GLU 85 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3iar h GLU 85 Cb 0.12 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3iar h GLU 85 CO -0.04 0.25 0.33 0.35 -1.00 0.00 0.00 179.01 178.90 3iar h PHE 86 N 0.05 0.82 -0.30 4.33 3.57 -0.65 -0.69 116.94 124.08 3iar h PHE 86 Ca 0.01 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 3iar h PHE 86 Cb 0.38 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3iar h PHE 86 CO 0.00 0.59 -0.06 0.28 -2.23 0.00 0.00 178.31 176.90 3iar h VAL 87 N 0.82 1.28 -0.75 1.41 2.07 -1.28 -1.34 116.25 118.45 3iar h VAL 87 Ca 0.21 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.71 3iar h VAL 87 Cb 0.04 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3iar h VAL 87 CO -0.03 0.35 0.46 -0.08 0.02 0.00 0.00 177.57 178.28 3iar h GLU 88 N 0.35 0.83 -0.08 1.57 4.81 -1.16 -1.58 114.58 119.32 3iar h GLU 88 Ca 0.08 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 3iar h GLU 88 Cb 0.54 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3iar h GLU 88 CO 0.03 0.55 -0.73 0.52 -0.73 0.00 0.00 179.01 178.64 3iar h MET 89 N 0.85 0.43 0.00 1.92 2.86 -0.96 -3.02 114.93 117.01 3iar h MET 89 Ca 0.32 -0.35 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3iar h MET 89 Cb 0.13 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3iar h MET 89 CO -0.16 0.99 -0.35 0.87 1.06 0.00 0.00 176.91 179.32 3iar h LYS 90 N 0.29 0.00 -0.66 1.72 1.79 -0.91 -1.97 116.57 116.83 3iar h LYS 90 Ca -0.03 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.53 3iar h LYS 90 Cb 1.31 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.92 3iar h LYS 90 CO 0.13 0.35 0.44 0.00 -1.08 0.00 0.00 179.45 179.28 3iar h ALA 91 N 1.65 1.92 0.00 3.86 0.00 -1.16 -1.04 119.26 124.50 3iar h ALA 91 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iar h ALA 91 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3iar h ALA 91 CO 0.05 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.86 3iar n LYS 92 N -4.48 0.11 -0.18 0.00 5.02 -0.74 -1.78 118.16 116.10 3iar n LYS 92 Ca 0.11 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 3iar n LYS 92 Cb 0.35 -1.69 0.26 0.00 -0.02 0.00 0.00 35.03 33.93 3iar n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3iar n GLU 93 N -1.89 2.30 -1.03 1.97 1.02 -0.41 -4.93 120.64 117.67 3iar n GLU 93 Ca 0.03 -1.97 -0.01 0.00 -0.02 0.00 0.00 57.16 55.19 3iar n GLU 93 Cb 0.23 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3iar n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iar n GLY 94 N 1.41 0.47 3.76 0.62 0.00 -0.74 -4.85 105.19 105.86 3iar n GLY 94 Ca 0.19 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 3iar n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iar s VAL 95 N -2.02 3.70 -0.03 1.61 1.01 -1.12 -1.25 120.40 122.31 3iar s VAL 95 Ca 0.00 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.65 3iar s VAL 95 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3iar s VAL 95 CO 0.00 0.34 0.07 1.33 0.00 0.00 0.00 175.10 176.83 3iar n VAL 96 N 1.06 0.00 -3.75 2.92 0.24 -0.08 -4.58 118.33 114.14 3iar n VAL 96 Ca -0.00 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 3iar n VAL 96 Cb 0.46 0.54 -0.13 0.00 -1.47 0.00 0.00 33.84 33.25 3iar n VAL 96 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3iar s TYR 97 N -2.01 -0.29 -0.01 6.34 5.04 -1.22 -1.73 117.35 123.46 3iar s TYR 97 Ca -0.01 0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 55.33 3iar s TYR 97 Cb 0.02 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.39 3iar s TYR 97 CO 0.11 -0.20 0.02 0.54 -1.34 0.00 0.00 175.55 174.69 3iar s VAL 98 N 0.92 -0.02 -0.26 3.14 0.11 -0.50 -1.56 120.40 122.23 3iar s VAL 98 Ca -0.07 0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 3iar s VAL 98 Cb -0.08 -0.05 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 3iar s VAL 98 CO -0.06 0.03 0.09 -1.61 -3.33 0.00 0.00 175.10 170.23 3iar s GLU 99 N 0.39 3.66 -0.13 1.54 2.02 -0.42 -1.07 118.70 124.69 3iar s GLU 99 Ca -0.03 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.46 3iar s GLU 99 Cb -0.05 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 3iar s GLU 99 CO -0.01 -0.21 -0.08 0.54 0.02 0.00 0.00 175.26 175.52 3iar s VAL 100 N 1.63 3.56 0.15 2.63 0.11 -0.07 -4.10 120.40 124.31 3iar s VAL 100 Ca 0.06 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 58.70 3iar s VAL 100 Cb -0.15 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.14 3iar s VAL 100 CO 0.05 0.53 -0.10 0.00 -3.33 0.00 0.00 175.10 172.25 3iar s ARG 101 N 0.08 2.06 0.01 1.54 1.70 -0.24 -0.74 118.95 123.38 3iar s ARG 101 Ca -0.03 -1.18 -0.28 0.00 -0.47 0.00 0.00 55.73 53.77 3iar s ARG 101 Cb -0.14 -2.21 0.10 0.00 -0.57 0.00 0.00 34.95 32.13 3iar s ARG 101 CO 0.03 0.46 0.93 1.52 -1.08 0.00 0.00 175.30 177.16 3iar s TYR 102 N -1.50 -0.29 -0.33 5.89 -0.85 -0.75 -0.31 117.35 119.21 3iar s TYR 102 Ca 0.23 0.13 -0.18 0.00 -0.52 0.00 0.00 57.07 56.73 3iar s TYR 102 Cb -0.10 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 3iar s TYR 102 CO 0.14 -0.57 0.50 0.45 -1.52 0.00 0.00 175.55 174.55 3iar s SER 103 N -2.56 6.32 0.36 -0.18 0.15 -1.26 -0.23 113.70 116.30 3iar s SER 103 Ca 0.07 0.07 0.11 0.00 0.70 0.00 0.00 55.95 56.90 3iar s SER 103 Cb -0.01 -2.26 0.68 0.00 -1.71 0.00 0.00 66.02 62.71 3iar s SER 103 CO -0.07 -0.42 1.81 1.55 1.20 0.00 0.00 173.24 177.31 3iar h PRO 104 N 8.37 0.08 -1.00 5.44 0.13 -1.90 -2.29 132.00 140.83 3iar h PRO 104 Ca -0.28 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.89 3iar h PRO 104 Cb 1.13 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 3iar h PRO 104 CO 0.75 0.42 0.64 0.45 -0.23 0.00 0.00 178.00 180.03 3iar h HIS 105 N 0.07 1.19 0.00 1.56 3.86 -1.91 -1.63 115.15 118.28 3iar h HIS 105 Ca 0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3iar h HIS 105 Cb 0.65 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3iar h HIS 105 CO 0.00 0.60 0.00 1.28 0.86 0.00 0.00 177.93 180.68 3iar n LEU 106 N -4.51 0.00 -0.27 2.43 4.77 -0.86 -2.35 117.00 116.21 3iar n LEU 106 Ca 0.16 0.20 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 3iar n LEU 106 Cb 0.20 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3iar n LEU 106 CO 0.32 -0.08 0.29 0.18 -1.33 0.00 0.00 177.39 176.77 3iar n LEU 107 N -1.20 1.41 -4.97 2.23 4.77 -0.64 -4.79 117.00 113.81 3iar n LEU 107 Ca 0.11 -0.87 -0.21 0.00 -0.03 0.00 0.00 56.01 55.01 3iar n LEU 107 Cb 0.12 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3iar n LEU 107 CO 0.13 0.28 0.23 0.00 -1.33 0.00 0.00 177.39 176.71 3iar s ALA 108 N -1.05 3.99 -0.05 -1.18 0.00 -0.99 -0.80 121.76 121.68 3iar s ALA 108 Ca 0.09 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.84 3iar s ALA 108 Cb 0.07 -1.96 0.11 0.00 0.00 0.00 0.00 23.12 21.35 3iar s ALA 108 CO 0.18 -0.37 1.01 0.27 0.00 0.00 0.00 175.76 176.85 3iar n ASN 109 N -2.01 1.03 -3.62 0.00 0.23 -0.21 -4.59 115.26 106.09 3iar n ASN 109 Ca 0.03 -2.31 -0.14 0.00 -0.53 0.00 0.00 54.58 51.63 3iar n ASN 109 Cb 0.58 -0.25 -0.06 0.00 -2.08 0.00 0.00 39.78 37.97 3iar n ASN 109 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3iar s SER 110 N -1.61 -0.39 -1.42 0.53 0.15 -0.94 -0.84 113.70 109.19 3iar s SER 110 Ca 0.12 0.19 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 3iar s SER 110 Cb 0.10 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 3iar s SER 110 CO 0.01 -0.65 0.56 0.29 1.20 0.00 0.00 173.24 174.66 3iar n LYS 111 N 0.64 -4.23 -3.73 5.44 5.02 -1.26 -4.11 118.16 115.93 3iar n LYS 111 Ca -0.19 0.69 -0.17 0.00 -2.02 0.00 0.00 58.31 56.62 3iar n LYS 111 Cb 0.59 -5.49 -0.17 0.00 -0.02 0.00 0.00 35.03 29.95 3iar n LYS 111 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iar s VAL 112 N -3.06 -0.08 -0.16 -0.18 0.11 -1.26 -4.68 120.40 111.09 3iar s VAL 112 Ca 0.36 0.31 0.01 0.00 -2.93 0.00 0.00 61.98 59.73 3iar s VAL 112 Cb -0.18 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 3iar s VAL 112 CO 0.44 0.13 -0.18 -0.70 -3.33 0.00 0.00 175.10 171.46 3iar s GLU 113 N 1.56 2.73 0.57 1.54 2.56 -1.26 -2.67 118.70 123.73 3iar s GLU 113 Ca -0.03 -0.73 -0.15 0.00 0.00 0.00 0.00 54.97 54.06 3iar s GLU 113 Cb -0.13 -2.36 -0.05 0.00 2.00 0.00 0.00 34.13 33.60 3iar s GLU 113 CO -0.03 -0.17 1.02 -1.25 -0.56 0.00 0.00 175.26 174.27 3iar s PRO 114 N 1.24 3.62 0.10 4.30 0.04 -1.26 -4.93 135.00 138.10 3iar s PRO 114 Ca 0.02 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 61.77 3iar s PRO 114 Cb -0.14 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3iar s PRO 114 CO -0.09 -0.55 1.34 0.42 0.04 0.00 0.00 177.00 178.15 3iar s ILE 115 N -2.66 3.50 0.71 0.56 1.01 -1.09 -4.98 121.20 118.25 3iar s ILE 115 Ca 0.60 1.08 -0.10 0.00 0.00 0.00 0.00 60.65 62.22 3iar s ILE 115 Cb -0.12 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.69 3iar s ILE 115 CO 0.37 0.08 1.08 -2.16 0.00 0.00 0.00 174.94 174.32 3iar s PRO 116 N 1.08 2.65 -1.98 2.79 0.04 -1.26 -4.29 135.00 134.03 3iar s PRO 116 Ca 0.63 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3iar s PRO 116 Cb -0.35 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3iar s PRO 116 CO 0.30 -1.11 0.00 0.91 0.04 0.00 0.00 177.00 177.14 3iar n TRP 117 N -3.00 -0.57 -1.47 0.56 7.02 -1.26 -2.09 117.44 116.63 3iar n TRP 117 Ca 0.07 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.39 3iar n TRP 117 Cb 0.58 -3.77 -0.07 0.00 -2.42 0.00 0.00 31.31 25.63 3iar n TRP 117 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3iar n ASN 118 N -1.74 -5.22 -4.76 -0.99 3.02 -1.26 -4.85 115.26 99.46 3iar n ASN 118 Ca -0.23 0.40 -0.38 0.00 -0.03 0.00 0.00 54.58 54.34 3iar n ASN 118 Cb 0.69 -4.13 0.01 0.00 -0.61 0.00 0.00 39.78 35.73 3iar n ASN 118 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3iar s GLN 119 N -3.33 3.62 0.54 3.52 -0.21 -0.89 -5.03 119.66 117.88 3iar s GLN 119 Ca 0.00 1.97 -0.19 0.00 0.02 0.00 0.00 55.36 57.16 3iar s GLN 119 Cb 0.00 -2.43 -0.06 0.00 1.00 0.00 0.00 33.01 31.52 3iar s GLN 119 CO 0.00 -0.72 1.11 0.00 -2.12 0.00 0.00 175.29 173.56 3iar s ALA 120 N -1.43 2.72 0.19 6.09 0.00 -1.26 -4.88 121.76 123.19 3iar s ALA 120 Ca 0.65 0.76 -0.32 0.00 0.00 0.00 0.00 51.96 53.05 3iar s ALA 120 Cb -0.34 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.34 3iar s ALA 120 CO 0.41 -0.70 1.74 -2.00 0.00 0.00 0.00 175.76 175.21 3iar s GLU 121 N -3.33 4.13 0.00 0.00 2.12 -1.26 -4.92 118.70 115.45 3iar s GLU 121 Ca 0.71 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.63 3iar s GLU 121 Cb -0.22 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3iar s GLU 121 CO 0.26 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 3iar n GLY 122 N 4.03 5.00 0.10 -1.50 0.00 -0.02 -5.02 105.19 107.78 3iar n GLY 122 Ca 0.16 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.51 3iar n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iar n ASP 123 N 0.00 2.10 -4.30 1.61 5.68 -1.26 -4.56 116.55 115.81 3iar n ASP 123 Ca 0.00 -2.87 -0.38 0.00 -0.50 0.00 0.00 54.79 51.05 3iar n ASP 123 Cb 0.00 -0.36 -0.12 0.00 -1.14 0.00 0.00 41.12 39.49 3iar n ASP 123 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3iar s LEU 124 N -2.42 4.14 0.37 -2.12 2.96 -1.26 -4.99 118.68 115.36 3iar s LEU 124 Ca 0.26 -0.99 0.03 0.00 -0.22 0.00 0.00 54.13 53.22 3iar s LEU 124 Cb 0.23 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 3iar s LEU 124 CO 0.02 -0.28 0.54 0.42 -1.32 0.00 0.00 176.35 175.73 3iar s THR 125 N 1.44 4.30 0.44 3.68 -4.23 -1.26 -1.05 115.64 118.96 3iar s THR 125 Ca -0.00 -0.76 0.10 0.00 -1.18 0.00 0.00 61.69 59.85 3iar s THR 125 Cb -0.19 -3.54 0.26 0.00 1.34 0.00 0.00 72.50 70.38 3iar s THR 125 CO 0.03 -0.28 2.08 -0.65 -0.54 0.00 0.00 174.62 175.26 3iar h PRO 126 N 0.73 0.36 -0.30 3.99 0.11 -1.82 -1.29 132.00 133.79 3iar h PRO 126 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3iar h PRO 126 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3iar h PRO 126 CO 0.56 0.25 0.15 0.22 -0.21 0.00 0.00 178.00 178.98 3iar h ASP 127 N 0.37 0.39 0.35 -2.05 3.58 -1.94 -1.82 116.42 115.30 3iar h ASP 127 Ca 0.10 -0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 3iar h ASP 127 Cb -0.03 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3iar h ASP 127 CO -0.02 0.38 -0.48 -0.08 -2.88 0.00 0.00 179.24 176.16 3iar h GLU 128 N 0.36 0.16 -0.40 0.28 4.81 -1.81 -2.34 114.58 115.64 3iar h GLU 128 Ca 0.10 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3iar h GLU 128 Cb 0.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3iar h GLU 128 CO -0.01 0.61 0.15 0.28 -0.73 0.00 0.00 179.01 179.31 3iar h VAL 129 N 0.13 0.90 -0.67 0.32 2.07 -0.84 -0.47 116.25 117.68 3iar h VAL 129 Ca 0.01 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3iar h VAL 129 Cb 0.91 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3iar h VAL 129 CO 0.07 0.06 0.39 0.58 0.02 0.00 0.00 177.57 178.69 3iar h VAL 130 N 0.32 1.20 -0.52 2.57 2.07 -0.83 -0.43 116.25 120.62 3iar h VAL 130 Ca 0.18 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.28 3iar h VAL 130 Cb 0.15 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3iar h VAL 130 CO -0.17 0.21 0.25 0.00 0.02 0.00 0.00 177.57 177.88 3iar h ALA 131 N 1.20 0.67 -0.31 1.67 0.00 -1.01 -1.22 119.26 120.26 3iar h ALA 131 Ca 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3iar h ALA 131 Cb -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iar h ALA 131 CO -0.04 -0.10 0.02 -0.07 0.00 0.00 0.00 179.25 179.06 3iar h LEU 132 N 0.49 0.51 -0.48 0.00 3.38 -0.62 -1.66 115.31 116.93 3iar h LEU 132 Ca 0.24 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iar h LEU 132 Cb 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3iar h LEU 132 CO -0.18 0.67 0.32 0.58 0.09 0.00 0.00 178.44 179.91 3iar h VAL 133 N 0.33 1.12 -0.93 1.22 2.07 -0.96 -1.41 116.25 117.70 3iar h VAL 133 Ca 0.09 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3iar h VAL 133 Cb 0.39 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3iar h VAL 133 CO 0.01 0.12 0.60 1.23 0.02 0.00 0.00 177.57 179.55 3iar h GLY 134 N 0.65 1.37 0.97 2.17 0.00 -1.06 0.18 103.07 107.34 3iar h GLY 134 Ca 0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3iar h GLY 134 CO -0.04 0.38 0.14 1.46 0.00 0.00 0.00 176.54 178.47 3iar h GLN 135 N 1.16 0.76 -0.44 4.80 4.20 -0.92 -0.29 115.11 124.37 3iar h GLN 135 Ca 0.38 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 3iar h GLN 135 Cb 0.03 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3iar h GLN 135 CO -0.13 0.73 -0.06 0.78 -0.67 0.00 0.00 178.83 179.48 3iar h GLY 136 N 0.65 0.81 1.02 3.46 0.00 -0.68 -1.45 103.07 106.88 3iar h GLY 136 Ca 0.15 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3iar h GLY 136 CO -0.00 0.52 -0.12 1.41 0.00 0.00 0.00 176.54 178.36 3iar h LEU 137 N 0.69 0.87 -0.37 3.11 3.38 -0.73 -1.10 115.31 121.16 3iar h LEU 137 Ca 0.13 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3iar h LEU 137 Cb 0.51 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3iar h LEU 137 CO 0.03 1.03 0.22 -0.61 0.09 0.00 0.00 178.44 179.21 3iar h GLN 138 N 0.69 0.51 -0.39 1.13 5.75 -0.79 0.13 115.11 122.14 3iar h GLN 138 Ca 0.11 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.44 3iar h GLN 138 Cb 0.66 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 3iar h GLN 138 CO 0.05 0.38 -0.25 0.93 -2.65 0.00 0.00 178.83 177.29 3iar h GLU 139 N 0.49 0.79 -0.60 1.69 5.08 -1.23 -1.71 114.58 119.09 3iar h GLU 139 Ca 0.13 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3iar h GLU 139 Cb 0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3iar h GLU 139 CO -0.02 0.96 0.14 0.78 -1.00 0.00 0.00 179.01 179.87 3iar h GLY 140 N 0.95 1.03 0.92 -3.84 0.00 -0.86 -1.01 103.07 100.26 3iar h GLY 140 Ca 0.09 -0.65 0.02 0.00 0.00 0.00 0.00 47.33 46.79 3iar h GLY 140 CO 0.06 0.60 0.48 -2.09 0.00 0.00 0.00 176.54 175.59 3iar h GLU 141 N 0.87 0.92 -0.39 4.80 4.81 -0.56 0.19 114.58 125.21 3iar h GLU 141 Ca 0.19 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3iar h GLU 141 Cb 0.35 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3iar h GLU 141 CO 0.00 0.61 0.12 -0.09 -0.73 0.00 0.00 179.01 178.92 3iar h ARG 142 N 0.94 0.61 0.00 1.92 2.43 -1.08 -1.56 114.38 117.65 3iar h ARG 142 Ca 0.29 -0.13 -0.20 0.00 -0.81 0.00 0.00 59.98 59.13 3iar h ARG 142 Cb -0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3iar h ARG 142 CO -0.09 0.62 -0.94 -0.44 -1.51 0.00 0.00 179.97 177.60 3iar h ASP 143 N 0.49 0.00 -0.00 -3.80 3.32 -0.89 -3.38 116.42 112.15 3iar h ASP 143 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3iar h ASP 143 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3iar h ASP 143 CO -0.00 0.92 -0.15 0.49 -1.72 0.00 0.00 179.24 178.77 3iar n PHE 144 N -3.32 0.00 -1.05 4.55 3.72 0.66 -5.03 117.46 117.00 3iar n PHE 144 Ca -0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 3iar n PHE 144 Cb 0.91 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.44 3iar n PHE 144 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iar n GLY 145 N 0.83 0.51 3.27 1.37 0.00 -0.59 -4.92 105.19 105.67 3iar n GLY 145 Ca 0.02 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 3iar n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iar s VAL 146 N -2.04 2.95 0.08 1.61 1.01 -1.25 -4.93 120.40 117.82 3iar s VAL 146 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 3iar s VAL 146 Cb 0.00 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 3iar s VAL 146 CO 0.00 0.48 1.17 -0.75 0.00 0.00 0.00 175.10 176.00 3iar s LYS 147 N 1.18 4.47 -0.06 2.72 2.20 -0.70 -4.16 119.74 125.38 3iar s LYS 147 Ca 0.02 1.75 0.00 0.00 -0.36 0.00 0.00 55.97 57.38 3iar s LYS 147 Cb -0.14 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 3iar s LYS 147 CO -0.04 -0.18 -0.04 0.00 -0.36 0.00 0.00 175.35 174.73 3iar s ALA 148 N 0.78 0.82 0.28 3.13 0.00 -1.26 -1.41 121.76 124.09 3iar s ALA 148 Ca 0.56 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3iar s ALA 148 Cb -0.29 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 3iar s ALA 148 CO 0.31 -0.16 0.00 1.03 0.00 0.00 0.00 175.76 176.94 3iar s ARG 149 N 1.23 1.53 0.15 0.00 1.81 -0.23 -4.83 118.95 118.61 3iar s ARG 149 Ca -0.06 -1.81 0.08 0.00 -1.72 0.00 0.00 55.73 52.23 3iar s ARG 149 Cb -0.14 -0.89 -0.04 0.00 -0.45 0.00 0.00 34.95 33.44 3iar s ARG 149 CO -0.02 -0.09 -0.18 -1.54 -0.68 0.00 0.00 175.30 172.79 3iar s SER 150 N -3.42 2.56 -0.06 0.23 1.04 0.49 -0.89 113.70 113.65 3iar s SER 150 Ca 0.32 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3iar s SER 150 Cb 0.06 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.05 3iar s SER 150 CO 0.12 -0.03 -0.12 -0.63 0.98 0.00 0.00 173.24 173.56 3iar s ILE 151 N -1.88 1.15 -0.21 -1.02 1.01 0.08 -0.32 121.20 120.00 3iar s ILE 151 Ca 0.13 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3iar s ILE 151 Cb -0.06 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 3iar s ILE 151 CO 0.06 0.36 0.19 -0.76 0.00 0.00 0.00 174.94 174.78 3iar s LEU 152 N 0.60 4.17 -0.22 2.97 1.43 -0.72 -1.82 118.68 125.10 3iar s LEU 152 Ca -0.14 0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 3iar s LEU 152 Cb -0.15 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3iar s LEU 152 CO 0.04 0.09 0.59 0.00 0.23 0.00 0.00 176.35 177.30 3iar s MET 155 N -3.70 2.98 0.38 0.00 -1.94 -1.26 -1.05 119.30 114.71 3iar s MET 155 Ca 0.71 -0.78 0.09 0.00 -1.71 0.00 0.00 55.69 54.00 3iar s MET 155 Cb -0.23 -2.41 0.84 0.00 2.01 0.00 0.00 34.83 35.03 3iar s MET 155 CO 0.35 0.31 1.95 0.00 -0.01 0.00 0.00 175.02 177.62 3iar h ARG 156 N 6.33 0.62 -0.00 2.03 3.08 -1.09 -0.77 114.38 124.58 3iar h ARG 156 Ca -0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3iar h ARG 156 Cb 1.20 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3iar h ARG 156 CO 0.51 0.41 -0.03 -2.39 -1.07 0.00 0.00 179.97 177.41 3iar n HIS 157 N -4.49 0.00 -3.24 3.04 1.44 -1.26 -4.23 115.22 106.48 3iar n HIS 157 Ca 0.12 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.58 3iar n HIS 157 Cb 0.32 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 30.31 3iar n HIS 157 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3iar n GLN 158 N -0.70 1.85 0.28 -1.40 1.13 -0.29 -4.91 117.38 113.33 3iar n GLN 158 Ca 0.20 -4.06 0.17 0.00 -1.94 0.00 0.00 57.00 51.36 3iar n GLN 158 Cb 0.22 -1.84 0.94 0.00 0.11 0.00 0.00 30.24 29.67 3iar n GLN 158 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3iar h PRO 159 N 3.78 0.00 -0.28 -1.09 0.13 -1.74 -1.06 132.00 131.75 3iar h PRO 159 Ca 0.13 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.34 3iar h PRO 159 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3iar h PRO 159 CO 0.67 0.00 0.22 -2.95 -0.23 0.00 0.00 178.00 175.71 3iar h ASN 160 N 0.00 0.00 1.90 1.44 -1.07 -1.93 -2.39 115.58 113.53 3iar h ASN 160 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.39 3iar h ASN 160 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 3iar h ASN 160 CO -0.00 0.00 -0.04 -0.50 0.07 0.00 0.00 177.43 176.96 3iar h TRP 161 N 0.00 0.00 -0.70 4.14 6.55 -1.55 -3.39 115.95 121.01 3iar h TRP 161 Ca 0.13 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.92 3iar h TRP 161 Cb 0.57 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.84 3iar h TRP 161 CO 0.00 0.00 0.22 0.77 -1.05 0.00 0.00 178.44 178.38 3iar h SER 162 N 0.00 1.00 -0.94 -3.49 0.02 -1.52 -1.56 113.55 107.06 3iar h SER 162 Ca 0.00 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3iar h SER 162 Cb 0.97 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.19 3iar h SER 162 CO 0.00 0.94 0.62 -0.65 -1.14 0.00 0.00 176.83 176.59 3iar h PRO 163 N 1.04 1.11 -0.27 3.45 0.11 -1.75 -1.94 132.00 133.74 3iar h PRO 163 Ca 0.23 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 3iar h PRO 163 Cb 0.29 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3iar h PRO 163 CO -0.01 0.74 -0.40 -0.22 -0.21 0.00 0.00 178.00 177.90 3iar h LYS 164 N 1.15 0.65 -0.24 1.05 1.63 -1.66 -1.65 116.57 117.50 3iar h LYS 164 Ca 0.39 -0.34 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 3iar h LYS 164 Cb 0.08 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3iar h LYS 164 CO -0.13 0.94 0.11 0.28 -3.45 0.00 0.00 179.45 177.20 3iar h VAL 165 N 0.54 0.98 -0.18 2.00 2.07 -0.56 0.32 116.25 121.41 3iar h VAL 165 Ca 0.05 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 3iar h VAL 165 Cb 0.92 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3iar h VAL 165 CO 0.08 0.04 -0.45 1.62 0.02 0.00 0.00 177.57 178.88 3iar h VAL 166 N 0.23 1.32 -0.56 2.57 3.04 -1.32 -0.68 116.25 120.85 3iar h VAL 166 Ca 0.10 -1.65 0.08 0.00 -1.01 0.00 0.00 66.70 64.22 3iar h VAL 166 Cb 0.04 1.68 -0.06 0.00 -2.01 0.00 0.00 31.29 30.93 3iar h VAL 166 CO -0.08 0.51 0.22 -0.08 -1.01 0.00 0.00 177.57 177.12 3iar h GLU 167 N 0.36 0.39 -0.30 4.17 4.81 -0.92 -1.20 114.58 121.89 3iar h GLU 167 Ca 0.02 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3iar h GLU 167 Cb 0.94 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3iar h GLU 167 CO 0.08 0.26 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.19 3iar h LEU 168 N 0.41 0.72 -0.87 1.64 3.38 -0.50 0.05 115.31 120.14 3iar h LEU 168 Ca 0.27 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3iar h LEU 168 Cb 0.30 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3iar h LEU 168 CO -0.27 1.01 0.55 0.00 0.09 0.00 0.00 178.44 179.82 3iar h LYS 170 N 1.01 0.74 -0.32 0.00 1.57 -0.74 -2.51 116.57 116.33 3iar h LYS 170 Ca 0.37 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 3iar h LYS 170 Cb 0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3iar h LYS 170 CO -0.16 0.94 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.29 3iar h LYS 171 N 0.52 0.55 -0.30 3.15 3.64 -0.68 -3.20 116.57 120.27 3iar h LYS 171 Ca 0.08 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3iar h LYS 171 Cb 0.72 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3iar h LYS 171 CO 0.05 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.58 3iar n TYR 172 N -4.18 1.06 0.31 1.91 4.01 -0.34 -4.64 117.16 115.29 3iar n TYR 172 Ca 0.01 -0.85 0.20 0.00 -0.16 0.00 0.00 57.90 57.10 3iar n TYR 172 Cb 0.35 -0.33 0.99 0.00 -0.31 0.00 0.00 39.34 40.03 3iar n TYR 172 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 3iar h GLN 173 N 2.05 0.00 -0.58 -0.72 3.07 -1.44 0.22 115.11 117.71 3iar h GLN 173 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3iar h GLN 173 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.05 3iar h GLN 173 CO 0.25 0.00 0.00 1.04 0.09 0.00 0.00 178.83 180.21 3iar n GLN 174 N -3.09 3.12 -2.44 0.06 1.13 -1.26 -4.31 117.38 110.58 3iar n GLN 174 Ca -0.01 -2.60 -0.21 0.00 -1.94 0.00 0.00 57.00 52.23 3iar n GLN 174 Cb 0.18 -1.62 0.01 0.00 0.11 0.00 0.00 30.24 28.92 3iar n GLN 174 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3iar n GLN 175 N 1.05 2.94 0.00 -1.09 6.02 0.03 -4.95 117.38 121.37 3iar n GLN 175 Ca 0.22 -4.15 0.00 0.00 -0.01 0.00 0.00 57.00 53.06 3iar n GLN 175 Cb 0.68 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3iar n GLN 175 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3iar n THR 176 N -0.46 0.00 -2.61 5.09 -2.24 -1.22 -4.53 114.28 108.31 3iar n THR 176 Ca 0.32 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.68 3iar n THR 176 Cb 0.76 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 3iar n THR 176 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iar s VAL 177 N -2.27 4.60 -0.26 2.28 1.01 -0.99 -0.38 120.40 124.39 3iar s VAL 177 Ca 0.00 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.92 3iar s VAL 177 Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3iar s VAL 177 CO 0.00 -0.05 0.26 1.33 0.00 0.00 0.00 175.10 176.64 3iar n VAL 178 N 4.81 0.00 -3.69 2.92 0.24 0.57 -4.30 118.33 118.88 3iar n VAL 178 Ca 0.10 -0.42 -0.04 0.00 -2.04 0.00 0.00 64.34 61.95 3iar n VAL 178 Cb 0.47 1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.85 3iar n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iar s ALA 179 N -1.20 -1.78 0.05 2.33 0.00 -1.24 -3.66 121.76 116.25 3iar s ALA 179 Ca 0.02 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.43 3iar s ALA 179 Cb 0.03 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3iar s ALA 179 CO 0.15 -0.97 -0.05 -1.50 0.00 0.00 0.00 175.76 173.39 3iar s ILE 180 N -3.10 3.73 0.26 0.00 2.07 -0.19 -1.75 121.20 122.23 3iar s ILE 180 Ca 0.11 -0.92 0.03 0.00 -1.41 0.00 0.00 60.65 58.46 3iar s ILE 180 Cb -0.00 -2.70 -0.05 0.00 0.13 0.00 0.00 42.46 39.83 3iar s ILE 180 CO -0.01 0.26 0.03 -0.62 -1.91 0.00 0.00 174.94 172.69 3iar s ASP 181 N -1.84 1.86 -0.09 4.50 2.15 -0.21 -1.30 116.67 121.74 3iar s ASP 181 Ca 0.21 -1.28 -0.01 0.00 0.43 0.00 0.00 52.55 51.89 3iar s ASP 181 Cb -0.11 0.01 0.03 0.00 -0.30 0.00 0.00 42.92 42.54 3iar s ASP 181 CO 0.12 -0.57 -0.03 -0.22 -0.17 0.00 0.00 175.17 174.30 3iar s LEU 182 N -3.35 0.88 0.00 -1.34 2.96 -1.23 -0.05 118.68 116.55 3iar s LEU 182 Ca 0.32 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3iar s LEU 182 Cb 0.07 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 46.14 3iar s LEU 182 CO 0.11 -0.15 0.07 0.00 -1.32 0.00 0.00 176.35 175.06 3iar n ALA 183 N 4.99 0.24 0.00 5.97 0.00 -0.21 -1.24 120.51 130.26 3iar n ALA 183 Ca -0.10 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3iar n ALA 183 Cb 0.50 0.58 0.00 0.00 0.00 0.00 0.00 19.45 20.53 3iar n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iar n GLY 184 N 0.87 -1.61 3.56 0.00 0.00 -1.26 -0.41 105.19 106.33 3iar n GLY 184 Ca -0.02 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 3iar n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iar s ASP 185 N -4.00 6.40 0.47 1.61 2.15 -1.26 -4.88 116.67 117.15 3iar s ASP 185 Ca 0.00 -0.09 0.32 0.00 0.43 0.00 0.00 52.55 53.21 3iar s ASP 185 Cb 0.00 -2.51 1.55 0.00 -0.30 0.00 0.00 42.92 41.66 3iar s ASP 185 CO 0.00 -1.39 1.96 -0.08 -0.17 0.00 0.00 175.17 175.49 3iar h GLU 186 N 9.47 0.00 0.00 4.34 4.81 -1.94 -2.99 114.58 128.27 3iar h GLU 186 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3iar h GLU 186 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3iar h GLU 186 CO 1.15 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.68 3iar n THR 187 N -2.70 0.46 -1.67 0.32 -2.24 -1.26 -4.84 114.28 102.35 3iar n THR 187 Ca -0.01 -0.03 -0.45 0.00 -2.27 0.00 0.00 64.05 61.29 3iar n THR 187 Cb 0.15 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 3iar n THR 187 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3iar n ILE 188 N -1.86 0.63 -2.01 2.28 5.41 -1.13 -4.84 119.36 117.84 3iar n ILE 188 Ca 0.05 -0.11 -0.42 0.00 1.00 0.00 0.00 62.75 63.27 3iar n ILE 188 Cb 0.33 -2.09 -0.03 0.00 -0.71 0.00 0.00 39.64 37.15 3iar n ILE 188 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3iar s PRO 189 N 4.02 4.26 -0.60 0.38 0.02 -1.26 -1.74 135.00 140.07 3iar s PRO 189 Ca 0.90 2.29 0.00 0.00 0.02 0.00 0.00 61.00 64.21 3iar s PRO 189 Cb -0.56 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 30.82 3iar s PRO 189 CO 0.46 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3iar n GLY 190 N 3.00 0.71 0.27 0.52 0.00 -1.26 -4.90 105.19 103.54 3iar n GLY 190 Ca 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.96 3iar n GLY 190 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iar h SER 191 N 0.00 0.37 0.16 1.61 4.64 -1.70 -1.02 113.55 117.62 3iar h SER 191 Ca -0.12 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3iar h SER 191 Cb 0.71 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3iar h SER 191 CO 0.17 0.41 -0.06 0.28 -0.87 0.00 0.00 176.83 176.77 3iar h SER 192 N 0.40 0.00 -0.20 4.97 0.02 -1.90 -2.79 113.55 114.05 3iar h SER 192 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3iar h SER 192 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3iar h SER 192 CO 0.00 0.06 0.00 0.18 -1.14 0.00 0.00 176.83 175.93 3iar n LEU 193 N -3.77 3.15 -4.73 5.07 4.77 -0.39 -4.44 117.00 116.65 3iar n LEU 193 Ca -0.02 -1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 54.33 3iar n LEU 193 Cb 0.15 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3iar n LEU 193 CO 0.29 0.60 1.31 -0.76 -1.33 0.00 0.00 177.39 177.50 3iar s LEU 194 N -1.76 4.36 0.30 2.23 1.43 -1.06 -4.78 118.68 119.41 3iar s LEU 194 Ca 0.33 2.88 0.05 0.00 -1.03 0.00 0.00 54.13 56.36 3iar s LEU 194 Cb 0.21 -3.61 0.68 0.00 0.03 0.00 0.00 46.19 43.50 3iar s LEU 194 CO 0.31 -0.94 1.81 -0.65 0.23 0.00 0.00 176.35 177.11 3iar h PRO 195 N 6.01 0.82 -0.76 1.29 0.11 -1.92 -0.84 132.00 136.71 3iar h PRO 195 Ca -0.45 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.69 3iar h PRO 195 Cb 1.21 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 3iar h PRO 195 CO 0.89 0.54 0.43 0.78 -0.21 0.00 0.00 178.00 180.43 3iar h GLY 196 N 0.85 1.14 0.61 -0.55 0.00 -1.90 0.11 103.07 103.33 3iar h GLY 196 Ca 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 3iar h GLY 196 CO -0.31 0.15 -0.06 0.45 0.00 0.00 0.00 176.54 176.76 3iar h HIS 197 N 0.75 0.18 -0.63 5.60 3.86 -1.39 -2.06 115.15 121.46 3iar h HIS 197 Ca 0.35 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 3iar h HIS 197 Cb 0.27 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3iar h HIS 197 CO -0.07 0.60 0.32 0.28 0.86 0.00 0.00 177.93 179.91 3iar h VAL 198 N -0.29 1.21 -0.32 2.45 2.07 -1.04 -1.52 116.25 118.81 3iar h VAL 198 Ca 0.01 -0.58 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 3iar h VAL 198 Cb 0.57 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3iar h VAL 198 CO 0.02 0.24 -0.24 1.56 0.02 0.00 0.00 177.57 179.16 3iar h GLN 199 N 0.86 0.63 -0.65 1.57 4.20 -0.84 -0.56 115.11 120.33 3iar h GLN 199 Ca 0.22 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3iar h GLN 199 Cb 0.09 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3iar h GLN 199 CO -0.03 0.82 0.20 0.00 -0.67 0.00 0.00 178.83 179.15 3iar h ALA 200 N 1.18 0.85 -0.14 3.87 0.00 -0.81 -0.80 119.26 123.40 3iar h ALA 200 Ca 0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3iar h ALA 200 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3iar h ALA 200 CO 0.05 0.53 -0.46 1.88 0.00 0.00 0.00 179.25 181.25 3iar h TYR 201 N 0.94 0.42 -0.63 0.00 -1.99 -1.05 0.67 116.97 115.34 3iar h TYR 201 Ca 0.21 -0.13 -0.04 0.00 2.00 0.00 0.00 58.73 60.77 3iar h TYR 201 Cb 0.30 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 38.92 3iar h TYR 201 CO 0.02 0.75 0.24 1.96 -0.00 0.00 0.00 178.16 181.13 3iar h GLN 202 N 0.29 0.94 -0.46 4.88 4.20 -0.80 -0.31 115.11 123.85 3iar h GLN 202 Ca 0.02 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 3iar h GLN 202 Cb 0.92 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3iar h GLN 202 CO 0.08 0.80 -0.13 1.49 -0.67 0.00 0.00 178.83 180.39 3iar h GLU 203 N 0.88 0.86 -0.55 1.46 4.57 -0.92 -0.79 114.58 120.09 3iar h GLU 203 Ca 0.21 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3iar h GLU 203 Cb 0.22 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3iar h GLU 203 CO -0.02 0.94 0.36 0.00 -1.18 0.00 0.00 179.01 179.12 3iar h ALA 204 N 1.08 0.69 0.09 2.92 0.00 -0.39 -0.40 119.26 123.26 3iar h ALA 204 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iar h ALA 204 Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3iar h ALA 204 CO 0.05 0.14 -0.04 0.28 0.00 0.00 0.00 179.25 179.67 3iar h VAL 205 N 0.74 0.95 -0.84 0.00 2.07 -0.80 0.86 116.25 119.23 3iar h VAL 205 Ca 0.20 -0.15 0.12 0.00 0.82 0.00 0.00 66.70 67.69 3iar h VAL 205 Cb -0.08 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 3iar h VAL 205 CO -0.04 0.04 0.46 0.50 0.02 0.00 0.00 177.57 178.55 3iar h LYS 206 N -0.19 0.69 -0.16 1.57 3.64 -1.01 -2.87 116.57 118.25 3iar h LYS 206 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3iar h LYS 206 Cb 0.16 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3iar h LYS 206 CO 0.02 0.46 0.00 0.43 -2.27 0.00 0.00 179.45 178.09 3iar n SER 207 N -4.80 2.37 -1.15 4.20 7.64 -0.17 -4.95 113.62 116.76 3iar n SER 207 Ca 0.15 -1.80 -0.08 0.00 1.01 0.00 0.00 58.87 58.15 3iar n SER 207 Cb 0.36 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.47 3iar n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iar n GLY 208 N 1.28 0.18 3.63 0.23 0.00 -0.27 -5.02 105.19 105.23 3iar n GLY 208 Ca 0.17 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3iar n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iar s ILE 209 N -2.65 5.15 0.84 -0.61 -1.09 0.14 -5.04 121.20 117.94 3iar s ILE 209 Ca 0.08 0.72 -0.12 0.00 -2.23 0.00 0.00 60.65 59.10 3iar s ILE 209 Cb -0.03 -3.75 0.10 0.00 -1.58 0.00 0.00 42.46 37.20 3iar s ILE 209 CO 0.10 0.17 1.17 -1.00 -1.23 0.00 0.00 174.94 174.15 3iar s HIS 210 N 1.85 1.80 -0.05 3.97 3.76 -1.24 -4.43 115.29 120.95 3iar s HIS 210 Ca 0.18 1.71 0.00 0.00 -0.15 0.00 0.00 55.06 56.81 3iar s HIS 210 Cb -0.15 -3.39 0.02 0.00 1.11 0.00 0.00 32.58 30.17 3iar s HIS 210 CO 0.09 -2.74 -0.02 1.03 -0.85 0.00 0.00 174.74 172.25 3iar s ARG 211 N -4.38 0.71 0.19 1.40 0.52 -1.26 -1.02 118.95 115.11 3iar s ARG 211 Ca 0.70 -0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.97 3iar s ARG 211 Cb -0.25 -0.87 -0.04 0.00 0.52 0.00 0.00 34.95 34.31 3iar s ARG 211 CO 0.53 -0.17 -0.16 -0.08 0.02 0.00 0.00 175.30 175.45 3iar s THR 212 N 1.32 1.76 -0.09 0.02 -1.32 -0.42 -0.77 115.64 116.14 3iar s THR 212 Ca -0.05 -2.10 -0.05 0.00 -1.21 0.00 0.00 61.69 58.28 3iar s THR 212 Cb -0.13 -1.96 0.04 0.00 -1.51 0.00 0.00 72.50 68.93 3iar s THR 212 CO -0.02 -0.50 0.21 -0.69 -2.21 0.00 0.00 174.62 171.41 3iar s VAL 213 N -2.64 -0.03 -0.11 5.08 1.01 -1.14 -3.55 120.40 119.02 3iar s VAL 213 Ca 0.20 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 3iar s VAL 213 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3iar s VAL 213 CO 0.07 0.05 1.46 -1.00 0.00 0.00 0.00 175.10 175.68 3iar s HIS 214 N 0.90 2.40 -0.23 5.22 3.76 -0.38 -0.40 115.29 126.57 3iar s HIS 214 Ca -0.07 0.59 -0.26 0.00 -0.15 0.00 0.00 55.06 55.17 3iar s HIS 214 Cb -0.08 -3.71 0.07 0.00 1.11 0.00 0.00 32.58 29.97 3iar s HIS 214 CO -0.05 -2.80 0.73 0.00 -0.85 0.00 0.00 174.74 171.77 3iar s ALA 215 N 3.78 -1.79 0.00 -1.40 0.00 -0.80 -4.89 121.76 116.66 3iar s ALA 215 Ca 0.64 1.89 0.00 0.00 0.00 0.00 0.00 51.96 54.49 3iar s ALA 215 Cb -0.28 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3iar s ALA 215 CO 0.22 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3iar n GLY 216 N 2.32 0.55 0.08 0.00 0.00 -1.26 -0.95 105.19 105.93 3iar n GLY 216 Ca -0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 3iar n GLY 216 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iar h GLU 217 N 1.07 -0.09 0.00 1.61 4.81 -1.91 -0.86 114.58 119.21 3iar h GLU 217 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3iar h GLU 217 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3iar h GLU 217 CO 0.00 -0.06 0.00 1.33 -0.73 0.00 0.00 179.01 179.55 3iar n VAL 218 N -4.60 0.00 -2.76 0.32 0.24 -1.26 -4.61 118.33 105.66 3iar n VAL 218 Ca -0.01 -0.46 -0.25 0.00 -2.04 0.00 0.00 64.34 61.58 3iar n VAL 218 Cb 0.04 1.05 0.01 0.00 -1.47 0.00 0.00 33.84 33.47 3iar n VAL 218 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iar s GLY 219 N -0.38 1.55 1.10 7.63 0.00 -1.26 -4.98 107.32 110.98 3iar s GLY 219 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.70 3iar s GLY 219 CO 0.00 -0.64 1.26 -1.35 0.00 0.00 0.00 173.10 172.37 3iar s SER 220 N -4.21 1.89 0.60 1.64 1.04 -1.26 -4.05 113.70 109.36 3iar s SER 220 Ca 0.49 0.30 0.40 0.00 0.48 0.00 0.00 55.95 57.62 3iar s SER 220 Cb -0.10 -0.32 2.03 0.00 0.10 0.00 0.00 66.02 67.72 3iar s SER 220 CO 0.41 -3.49 2.21 0.00 0.98 0.00 0.00 173.24 173.35 3iar h ALA 221 N -2.16 1.00 -0.29 5.32 0.00 -1.94 -2.16 119.26 119.03 3iar h ALA 221 Ca -0.43 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 3iar h ALA 221 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3iar h ALA 221 CO 0.31 0.00 -0.16 0.93 0.00 0.00 0.00 179.25 180.32 3iar h GLU 222 N 0.00 0.52 -0.18 0.00 4.39 -1.93 -1.08 114.58 116.30 3iar h GLU 222 Ca 0.00 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 3iar h GLU 222 Cb 0.15 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3iar h GLU 222 CO 0.00 0.67 -0.33 0.28 -1.16 0.00 0.00 179.01 178.47 3iar h VAL 223 N 0.47 1.28 -0.36 3.13 2.07 -1.73 -1.40 116.25 119.71 3iar h VAL 223 Ca 0.08 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 3iar h VAL 223 Cb 0.56 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3iar h VAL 223 CO 0.04 0.42 0.03 0.58 0.02 0.00 0.00 177.57 178.66 3iar h VAL 224 N 0.32 1.25 -0.80 2.57 2.07 -1.43 -1.79 116.25 118.44 3iar h VAL 224 Ca 0.04 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.73 3iar h VAL 224 Cb 0.73 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3iar h VAL 224 CO 0.06 0.30 0.48 0.11 0.02 0.00 0.00 177.57 178.53 3iar h LYS 225 N 0.44 0.82 -0.70 1.57 1.57 -0.89 -0.86 116.57 118.51 3iar h LYS 225 Ca 0.11 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3iar h LYS 225 Cb 0.40 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3iar h LYS 225 CO 0.01 0.54 0.46 0.93 -0.57 0.00 0.00 179.45 180.83 3iar h GLU 226 N 0.85 0.91 -0.81 3.15 5.08 -1.10 0.26 114.58 122.92 3iar h GLU 226 Ca 0.36 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 3iar h GLU 226 Cb 0.24 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3iar h GLU 226 CO -0.20 0.60 0.44 0.00 -1.00 0.00 0.00 179.01 178.85 3iar h ALA 227 N 1.26 1.04 0.03 3.43 0.00 -0.40 -0.41 119.26 124.21 3iar h ALA 227 Ca 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3iar h ALA 227 Cb -0.10 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.37 3iar h ALA 227 CO -0.06 0.56 -0.20 0.28 0.00 0.00 0.00 179.25 179.82 3iar h VAL 228 N 1.13 1.67 0.05 0.00 2.07 -0.85 0.24 116.25 120.55 3iar h VAL 228 Ca 0.28 -2.23 -0.31 0.00 0.82 0.00 0.00 66.70 65.27 3iar h VAL 228 Cb 0.04 3.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 3iar h VAL 228 CO -0.04 0.60 -1.70 0.44 0.02 0.00 0.00 177.57 176.88 3iar h ASP 229 N -0.75 0.17 0.01 0.57 3.32 -0.53 -2.99 116.42 116.22 3iar h ASP 229 Ca -0.03 -0.32 -0.40 0.00 0.02 0.00 0.00 57.03 56.29 3iar h ASP 229 Cb 1.09 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 3iar h ASP 229 CO 0.04 1.28 -2.31 -0.38 -1.72 0.00 0.00 179.24 176.15 3iar n ILE 230 N -3.24 1.54 1.03 0.35 2.08 -0.26 -4.51 119.36 116.35 3iar n ILE 230 Ca -0.19 -0.42 0.12 0.00 0.56 0.00 0.00 62.75 62.82 3iar n ILE 230 Cb 1.04 -1.74 0.34 0.00 -0.75 0.00 0.00 39.64 38.53 3iar n ILE 230 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3iar n LEU 231 N -3.89 0.44 -3.34 1.39 4.77 -0.60 -4.91 117.00 110.85 3iar n LEU 231 Ca -0.47 0.07 -0.22 0.00 -0.03 0.00 0.00 56.01 55.36 3iar n LEU 231 Cb 0.91 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.79 3iar n LEU 231 CO 0.16 0.11 0.23 0.29 -1.33 0.00 0.00 177.39 176.84 3iar n LYS 232 N -1.42 -7.34 -2.11 3.23 4.76 -0.80 -4.81 118.16 109.65 3iar n LYS 232 Ca 0.07 0.76 -0.36 0.00 -2.87 0.00 0.00 58.31 55.91 3iar n LYS 232 Cb 0.33 -5.61 0.02 0.00 -1.84 0.00 0.00 35.03 27.93 3iar n LYS 232 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3iar s THR 233 N -3.29 2.84 -0.10 -0.18 -1.32 0.01 -4.89 115.64 108.71 3iar s THR 233 Ca 0.54 0.53 0.22 0.00 -1.21 0.00 0.00 61.69 61.77 3iar s THR 233 Cb -0.24 -3.22 -0.24 0.00 -1.51 0.00 0.00 72.50 67.29 3iar s THR 233 CO 0.67 -0.10 0.61 -0.62 -2.21 0.00 0.00 174.62 172.97 3iar n GLU 234 N -1.41 0.65 -4.05 7.08 1.02 0.05 -4.82 120.64 119.16 3iar n GLU 234 Ca 0.12 -0.09 -0.08 0.00 -0.02 0.00 0.00 57.16 57.10 3iar n GLU 234 Cb 0.50 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 3iar n GLU 234 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iar s ARG 235 N -3.39 0.52 -0.16 3.49 0.52 -1.10 -3.98 118.95 114.85 3iar s ARG 235 Ca -0.06 -1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 54.12 3iar s ARG 235 Cb 0.12 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.76 3iar s ARG 235 CO 0.87 -0.10 -0.08 -0.51 0.02 0.00 0.00 175.30 175.50 3iar s LEU 236 N -2.45 2.95 -0.20 2.53 1.43 -0.17 -2.89 118.68 119.87 3iar s LEU 236 Ca -0.00 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 3iar s LEU 236 Cb 0.02 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3iar s LEU 236 CO -0.07 0.13 1.03 -0.83 0.23 0.00 0.00 176.35 176.84 3iar s GLY 237 N 0.55 1.84 0.00 -3.19 0.00 0.46 -0.46 107.32 106.52 3iar s GLY 237 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3iar s GLY 237 CO 0.03 2.13 0.00 1.42 0.00 0.00 0.00 173.10 176.68 3iar n HIS 238 N 6.04 0.00 -1.02 1.90 8.25 -0.21 -1.91 115.22 128.28 3iar n HIS 238 Ca 0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.56 3iar n HIS 238 Cb 0.47 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.57 3iar n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iar n GLY 239 N 0.00 0.44 0.26 -1.41 0.00 -0.13 -4.39 105.19 99.96 3iar n GLY 239 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 3iar n GLY 239 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iar h TYR 240 N 0.00 0.81 0.00 1.61 0.05 -1.58 -1.66 116.97 116.20 3iar h TYR 240 Ca -0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3iar h TYR 240 Cb 0.26 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.73 3iar h TYR 240 CO 0.15 0.50 0.00 0.72 -1.05 0.00 0.00 178.16 178.49 3iar n HIS 241 N -4.64 0.00 -0.33 4.88 8.25 -0.40 -2.14 115.22 120.84 3iar n HIS 241 Ca 0.05 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.72 3iar n HIS 241 Cb 0.03 -0.17 0.46 0.00 1.12 0.00 0.00 29.99 31.42 3iar n HIS 241 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3iar h THR 242 N 0.00 0.55 0.00 1.59 2.02 -1.57 -0.27 112.91 115.24 3iar h THR 242 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3iar h THR 242 Cb 0.11 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3iar h THR 242 CO 0.00 0.09 0.00 0.18 0.37 0.00 0.00 175.52 176.16 3iar n LEU 243 N -4.70 0.00 0.28 2.58 4.77 -0.91 -1.69 117.00 117.34 3iar n LEU 243 Ca 0.25 0.03 0.18 0.00 -0.03 0.00 0.00 56.01 56.44 3iar n LEU 243 Cb 0.81 -0.03 0.82 0.00 -2.33 0.00 0.00 43.42 42.70 3iar n LEU 243 CO 0.23 -0.01 1.04 -0.33 -1.33 0.00 0.00 177.39 176.99 3iar h GLU 244 N 0.00 0.00 -3.42 3.23 5.08 -1.27 -3.41 114.58 114.79 3iar h GLU 244 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3iar h GLU 244 Cb 0.02 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.87 3iar h GLU 244 CO 0.00 0.00 -0.76 0.34 -1.00 0.00 0.00 179.01 177.59 3iar s ASP 245 N -5.42 3.94 0.28 1.42 -1.08 -0.68 -5.01 116.67 110.12 3iar s ASP 245 Ca -0.00 -1.65 -0.01 0.00 -0.52 0.00 0.00 52.55 50.37 3iar s ASP 245 Cb 0.10 -0.80 0.40 0.00 -1.46 0.00 0.00 42.92 41.16 3iar s ASP 245 CO 0.49 -0.41 1.82 1.56 0.52 0.00 0.00 175.17 179.15 3iar h GLN 246 N 8.05 0.81 -0.46 4.34 1.08 -1.80 -1.06 115.11 126.07 3iar h GLN 246 Ca -0.13 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 56.81 3iar h GLN 246 Cb 1.01 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 3iar h GLN 246 CO 0.46 0.75 -0.04 0.00 -0.95 0.00 0.00 178.83 179.05 3iar h ALA 247 N 1.34 0.63 -0.32 3.87 0.00 -1.94 -1.00 119.26 121.83 3iar h ALA 247 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3iar h ALA 247 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3iar h ALA 247 CO 0.00 0.46 0.13 1.25 0.00 0.00 0.00 179.25 181.09 3iar h LEU 248 N 0.68 0.43 -0.53 0.00 5.85 -1.78 -1.43 115.31 118.54 3iar h LEU 248 Ca 0.13 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3iar h LEU 248 Cb 0.56 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3iar h LEU 248 CO 0.03 0.47 0.26 0.22 -0.34 0.00 0.00 178.44 179.08 3iar h TYR 249 N 0.36 0.47 -0.27 1.25 3.20 -1.11 -0.65 116.97 120.22 3iar h TYR 249 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3iar h TYR 249 Cb 0.17 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3iar h TYR 249 CO -0.01 0.21 0.07 -0.97 -1.64 0.00 0.00 178.16 175.82 3iar h ASN 250 N 0.49 0.04 -0.34 -2.11 -1.24 -0.91 0.68 115.58 112.19 3iar h ASN 250 Ca 0.24 0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.34 3iar h ASN 250 Cb 0.17 0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.22 3iar h ASN 250 CO -0.18 0.06 0.05 -0.09 -1.29 0.00 0.00 177.43 175.98 3iar h ARG 251 N 0.17 0.16 -0.37 6.67 2.43 -0.85 -0.01 114.38 122.59 3iar h ARG 251 Ca 0.12 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 3iar h ARG 251 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3iar h ARG 251 CO -0.15 0.11 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.17 3iar h LEU 252 N 0.16 0.68 -0.55 3.80 3.38 -0.74 -1.73 115.31 120.31 3iar h LEU 252 Ca 0.16 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3iar h LEU 252 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3iar h LEU 252 CO -0.23 0.86 0.18 0.03 0.09 0.00 0.00 178.44 179.37 3iar h ARG 253 N 0.61 0.85 -0.07 1.13 2.47 -0.49 -1.11 114.38 117.77 3iar h ARG 253 Ca 0.10 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3iar h ARG 253 Cb 0.64 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3iar h ARG 253 CO 0.05 0.77 0.02 1.96 0.56 0.00 0.00 179.97 183.32 3iar h GLN 254 N 0.76 0.09 -0.46 0.04 4.20 -0.17 -1.22 115.11 118.35 3iar h GLN 254 Ca 0.18 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3iar h GLN 254 Cb 0.27 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3iar h GLN 254 CO -0.01 0.08 0.00 0.39 -0.67 0.00 0.00 178.83 178.63 3iar n GLU 255 N -4.50 2.31 -2.91 1.46 1.02 -0.76 -4.94 120.64 112.32 3iar n GLU 255 Ca -0.02 -2.01 -0.22 0.00 -0.02 0.00 0.00 57.16 54.89 3iar n GLU 255 Cb 0.11 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3iar n GLU 255 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iar n ASN 256 N 1.17 -6.00 -4.69 1.62 5.15 -0.46 -4.92 115.26 107.13 3iar n ASN 256 Ca 0.19 -0.23 -0.44 0.00 -0.60 0.00 0.00 54.58 53.50 3iar n ASN 256 Cb 0.51 -4.88 -0.02 0.00 -0.53 0.00 0.00 39.78 34.86 3iar n ASN 256 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 3iar n MET 257 N -3.82 2.15 -3.33 1.20 0.00 -0.48 -4.93 117.12 107.91 3iar n MET 257 Ca -0.14 0.76 -0.38 0.00 -0.00 0.00 0.00 57.70 57.95 3iar n MET 257 Cb 0.63 -2.41 -0.06 0.00 0.00 0.00 0.00 33.22 31.38 3iar n MET 257 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3iar s HIS 258 N -0.36 3.52 -0.23 1.12 2.46 -1.26 -4.41 115.29 116.12 3iar s HIS 258 Ca 0.64 0.88 -0.08 0.00 0.47 0.00 0.00 55.06 56.96 3iar s HIS 258 Cb -0.60 -2.53 -0.04 0.00 -0.13 0.00 0.00 32.58 29.27 3iar s HIS 258 CO 0.53 0.19 0.10 -0.06 -2.47 0.00 0.00 174.74 173.03 3iar s PHE 259 N 0.56 3.18 -0.81 3.88 0.08 -0.38 -1.00 117.98 123.48 3iar s PHE 259 Ca 0.25 -0.12 -0.18 0.00 0.12 0.00 0.00 56.93 57.01 3iar s PHE 259 Cb -0.15 -2.22 0.14 0.00 -0.57 0.00 0.00 43.02 40.22 3iar s PHE 259 CO 0.10 -0.13 0.93 -1.21 -0.10 0.00 0.00 175.22 174.81 3iar s GLU 260 N 1.23 3.44 0.04 0.44 2.02 0.39 -1.87 118.70 124.40 3iar s GLU 260 Ca 0.05 -1.76 -0.21 0.00 0.02 0.00 0.00 54.97 53.08 3iar s GLU 260 Cb -0.14 -4.60 -0.06 0.00 0.10 0.00 0.00 34.13 29.42 3iar s GLU 260 CO 0.04 -1.61 0.61 0.42 0.02 0.00 0.00 175.26 174.74 3iar s ILE 261 N 2.19 4.78 -0.53 -1.63 -1.09 -0.60 -1.04 121.20 123.29 3iar s ILE 261 Ca 0.24 1.29 0.04 0.00 -2.23 0.00 0.00 60.65 59.98 3iar s ILE 261 Cb -0.11 -3.94 0.16 0.00 -1.58 0.00 0.00 42.46 36.98 3iar s ILE 261 CO -0.04 0.48 0.36 0.00 -1.23 0.00 0.00 174.94 174.51 3iar h PRO 263 N 5.92 -0.15 -0.22 0.00 0.11 -1.93 -0.16 132.00 135.56 3iar h PRO 263 Ca 0.13 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.12 3iar h PRO 263 Cb 0.86 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3iar h PRO 263 CO 0.53 -0.09 -0.38 2.35 -0.21 0.00 0.00 178.00 180.20 3iar h TRP 264 N -0.16 0.82 -0.58 0.65 2.91 -1.92 -2.63 115.95 115.04 3iar h TRP 264 Ca -0.02 -0.29 0.12 0.00 1.13 0.00 0.00 58.89 59.84 3iar h TRP 264 Cb 0.12 -0.16 -0.10 0.00 -0.51 0.00 0.00 29.16 28.51 3iar h TRP 264 CO -0.07 1.04 -0.08 1.03 -1.03 0.00 0.00 178.44 179.34 3iar h SER 265 N 0.36 -0.41 0.07 2.65 0.87 -1.80 -1.78 113.55 113.52 3iar h SER 265 Ca 0.02 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3iar h SER 265 Cb 0.98 0.31 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3iar h SER 265 CO 0.09 -0.15 -0.06 0.77 -0.53 0.00 0.00 176.83 176.94 3iar h SER 266 N 0.05 0.00 -0.00 6.23 4.64 -0.67 -1.18 113.55 122.62 3iar h SER 266 Ca 0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3iar h SER 266 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3iar h SER 266 CO -0.55 0.06 -0.00 0.22 -0.87 0.00 0.00 176.83 175.69 3iar h TYR 267 N 0.00 0.01 0.00 4.77 3.20 -1.07 0.55 116.97 124.42 3iar h TYR 267 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3iar h TYR 267 Cb 0.12 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3iar h TYR 267 CO 0.00 0.58 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.74 3iar h LEU 268 N -0.56 0.00 -0.19 2.82 3.38 -0.56 -2.18 115.31 118.02 3iar h LEU 268 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iar h LEU 268 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3iar h LEU 268 CO 0.00 0.29 -0.32 0.35 0.09 0.00 0.00 178.44 178.85 3iar n THR 269 N -3.54 0.00 -0.80 0.22 -2.24 -0.52 -1.14 114.28 106.25 3iar n THR 269 Ca -0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3iar n THR 269 Cb 0.43 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3iar n THR 269 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iar n GLY 270 N 1.42 0.80 0.36 3.38 0.00 -0.82 -3.16 105.19 107.17 3iar n GLY 270 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 3iar n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iar h ALA 271 N 0.00 1.51 -3.19 4.61 0.00 -1.60 -3.39 119.26 117.21 3iar h ALA 271 Ca 0.00 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 3iar h ALA 271 Cb 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 17.79 17.17 3iar h ALA 271 CO 0.00 0.38 -0.86 -0.46 0.00 0.00 0.00 179.25 178.31 3iar s TRP 272 N -5.89 2.60 -0.02 0.00 -0.00 0.11 -4.89 118.94 110.85 3iar s TRP 272 Ca -0.11 -1.34 -0.22 0.00 -0.00 0.00 0.00 56.10 54.42 3iar s TRP 272 Cb 0.19 -1.78 -0.05 0.00 -0.00 0.00 0.00 33.47 31.83 3iar s TRP 272 CO 0.80 -0.63 0.65 0.15 -0.00 0.00 0.00 176.95 177.92 3iar s LYS 273 N 0.92 4.39 0.00 5.86 -0.14 -1.26 -4.31 119.74 125.20 3iar s LYS 273 Ca -0.05 0.83 0.22 0.00 -1.36 0.00 0.00 55.97 55.60 3iar s LYS 273 Cb -0.15 -3.38 1.05 0.00 -1.68 0.00 0.00 37.83 33.67 3iar s LYS 273 CO -0.04 0.25 1.69 -0.35 -0.76 0.00 0.00 175.35 176.15 3iar n PRO 274 N 3.10 0.24 -0.75 -1.68 -0.04 -1.26 -1.38 135.00 133.22 3iar n PRO 274 Ca -0.04 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 3iar n PRO 274 Cb 0.51 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.75 3iar n PRO 274 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3iar n ASP 275 N -1.33 4.46 -4.34 3.54 5.75 -1.26 -4.85 116.55 118.52 3iar n ASP 275 Ca 0.09 -2.83 -0.20 0.00 -0.01 0.00 0.00 54.79 51.85 3iar n ASP 275 Cb 0.19 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.51 3iar n ASP 275 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3iar s THR 276 N -2.40 1.76 0.07 2.12 -4.23 -0.48 -5.11 115.64 107.36 3iar s THR 276 Ca 0.43 -2.09 -0.30 0.00 -1.18 0.00 0.00 61.69 58.54 3iar s THR 276 Cb 0.33 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 72.17 3iar s THR 276 CO 0.12 -0.49 1.12 -1.61 -0.54 0.00 0.00 174.62 173.22 3iar s GLU 277 N -3.30 4.50 0.39 3.99 0.41 -1.26 -4.89 118.70 118.54 3iar s GLU 277 Ca 0.20 1.67 -0.27 0.00 -0.41 0.00 0.00 54.97 56.15 3iar s GLU 277 Cb -0.03 -3.36 -0.10 0.00 -1.78 0.00 0.00 34.13 28.86 3iar s GLU 277 CO 0.07 -0.13 1.42 -1.58 -0.49 0.00 0.00 175.26 174.55 3iar s HIS 278 N 0.76 2.66 0.47 1.61 2.46 -1.26 -4.89 115.29 117.09 3iar s HIS 278 Ca 0.55 1.26 0.22 0.00 0.47 0.00 0.00 55.06 57.56 3iar s HIS 278 Cb -0.27 -3.90 1.23 0.00 -0.13 0.00 0.00 32.58 29.51 3iar s HIS 278 CO 0.30 -2.68 1.91 0.00 -2.47 0.00 0.00 174.74 171.80 3iar h ALA 279 N 2.84 2.39 0.00 1.58 0.00 -1.94 -1.45 119.26 122.69 3iar h ALA 279 Ca -0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3iar h ALA 279 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iar h ALA 279 CO 0.63 -0.62 -0.01 -0.24 0.00 0.00 0.00 179.25 179.01 3iar h VAL 280 N 0.23 0.05 -0.27 0.00 3.04 -1.98 -2.37 116.25 114.95 3iar h VAL 280 Ca 0.39 -0.29 -0.06 0.00 -1.01 0.00 0.00 66.70 65.73 3iar h VAL 280 Cb 1.18 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 3iar h VAL 280 CO -0.09 0.01 -0.06 0.40 -1.01 0.00 0.00 177.57 176.82 3iar h ILE 281 N 0.00 1.28 -0.56 3.17 2.04 -1.63 0.21 117.51 122.01 3iar h ILE 281 Ca -0.00 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3iar h ILE 281 Cb 0.27 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3iar h ILE 281 CO 0.00 0.34 0.35 -0.09 0.00 0.00 0.00 178.15 178.75 3iar h ARG 282 N 0.27 0.75 -0.65 2.37 9.65 -1.58 0.35 114.38 125.54 3iar h ARG 282 Ca 0.07 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3iar h ARG 282 Cb 0.53 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 3iar h ARG 282 CO 0.03 0.53 0.41 -0.07 2.80 0.00 0.00 179.97 183.67 3iar h LEU 283 N 0.76 0.70 -0.05 3.80 3.38 -1.30 0.15 115.31 122.74 3iar h LEU 283 Ca 0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3iar h LEU 283 Cb -0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3iar h LEU 283 CO -0.04 0.49 0.02 0.50 0.09 0.00 0.00 178.44 179.51 3iar h LYS 284 N 0.83 0.07 -0.41 1.13 3.64 -0.63 0.10 116.57 121.31 3iar h LYS 284 Ca 0.25 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3iar h LYS 284 Cb -0.03 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3iar h LYS 284 CO -0.08 0.17 0.10 -0.91 -2.27 0.00 0.00 179.45 176.46 3iar h ASN 285 N -0.05 0.55 0.04 4.20 2.35 -0.56 -1.13 115.58 120.99 3iar h ASN 285 Ca 0.02 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3iar h ASN 285 Cb 0.12 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3iar h ASN 285 CO -0.00 0.55 -0.02 0.47 -1.65 0.00 0.00 177.43 176.79 3iar n ASP 286 N -4.32 0.71 -3.83 5.81 8.00 0.01 -4.94 116.55 117.99 3iar n ASP 286 Ca 0.03 -1.16 -0.25 0.00 0.71 0.00 0.00 54.79 54.11 3iar n ASP 286 Cb 0.19 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.30 3iar n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iar n GLN 287 N -0.48 -4.74 -1.81 -1.24 1.13 -0.43 -4.98 117.38 104.82 3iar n GLN 287 Ca 0.21 0.57 -0.30 0.00 -1.94 0.00 0.00 57.00 55.54 3iar n GLN 287 Cb 0.24 -5.15 0.18 0.00 0.11 0.00 0.00 30.24 25.61 3iar n GLN 287 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3iar s ALA 288 N -3.60 2.08 -0.43 -1.58 0.00 0.26 -5.02 121.76 113.47 3iar s ALA 288 Ca 0.22 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 3iar s ALA 288 Cb -0.11 -2.82 0.04 0.00 0.00 0.00 0.00 23.12 20.22 3iar s ALA 288 CO 0.84 -2.46 0.34 1.21 0.00 0.00 0.00 175.76 175.68 3iar s ASN 289 N -4.70 6.13 0.17 0.00 2.47 -1.26 -4.89 114.94 112.86 3iar s ASN 289 Ca 0.72 -1.03 -0.18 0.00 0.42 0.00 0.00 52.86 52.79 3iar s ASN 289 Cb -0.06 -2.17 0.03 0.00 -1.45 0.00 0.00 41.25 37.60 3iar s ASN 289 CO 0.53 -0.52 0.49 -0.72 -3.72 0.00 0.00 177.10 173.16 3iar s TYR 290 N 1.69 -0.18 0.23 0.43 -0.85 -1.26 -1.25 117.35 116.16 3iar s TYR 290 Ca 0.05 -0.15 0.07 0.00 -0.52 0.00 0.00 57.07 56.53 3iar s TYR 290 Cb -0.21 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 3iar s TYR 290 CO 0.09 -0.85 -0.11 -1.54 -1.52 0.00 0.00 175.55 171.62 3iar s SER 291 N -2.84 2.57 -0.10 -0.18 1.04 -0.78 -4.49 113.70 108.91 3iar s SER 291 Ca 0.07 -1.08 -0.00 0.00 0.48 0.00 0.00 55.95 55.41 3iar s SER 291 Cb -0.00 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 3iar s SER 291 CO -0.06 -0.25 -0.09 -0.76 0.98 0.00 0.00 173.24 173.07 3iar s LEU 292 N -3.35 3.02 -0.01 2.42 1.43 -1.26 -1.55 118.68 119.38 3iar s LEU 292 Ca 0.25 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 3iar s LEU 292 Cb 0.01 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3iar s LEU 292 CO 0.08 0.27 0.26 0.20 0.23 0.00 0.00 176.35 177.40 3iar s ASN 293 N -0.25 -0.14 0.16 2.29 0.01 -0.35 -4.71 114.94 111.96 3iar s ASN 293 Ca 0.03 0.02 0.17 0.00 -0.71 0.00 0.00 52.86 52.37 3iar s ASN 293 Cb -0.13 0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.79 3iar s ASN 293 CO 0.03 -0.42 1.08 0.71 -1.51 0.00 0.00 177.10 176.99 3iar h THR 294 N 3.98 0.53 0.00 1.60 1.35 -1.87 -3.38 112.91 115.13 3iar h THR 294 Ca -0.30 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 3iar h THR 294 Cb 1.18 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3iar h THR 294 CO 0.40 0.30 0.00 -0.67 -0.25 0.00 0.00 175.52 175.30 3iar n ASP 295 N -2.98 0.00 -3.28 5.36 2.03 -0.70 -3.99 116.55 113.00 3iar n ASP 295 Ca -0.04 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.02 3iar n ASP 295 Cb 0.76 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.08 3iar n ASP 295 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3iar n ASP 296 N 2.81 0.54 0.27 1.67 8.00 -1.26 -0.41 116.55 128.17 3iar n ASP 296 Ca 0.00 -2.73 0.13 0.00 0.71 0.00 0.00 54.79 52.90 3iar n ASP 296 Cb 0.00 -0.63 0.76 0.00 -0.02 0.00 0.00 41.12 41.23 3iar n ASP 296 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3iar h PRO 297 N 4.37 0.00 0.04 -0.24 0.13 -1.54 -1.19 132.00 133.57 3iar h PRO 297 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3iar h PRO 297 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3iar h PRO 297 CO 0.49 0.09 -0.02 1.25 -0.23 0.00 0.00 178.00 179.59 3iar h LEU 298 N 0.00 -0.05 -0.08 1.56 5.85 -1.28 0.14 115.31 121.45 3iar h LEU 298 Ca -0.00 -0.10 -0.25 0.00 0.84 0.00 0.00 57.88 58.38 3iar h LEU 298 Cb 0.25 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.31 3iar h LEU 298 CO 0.01 0.07 -1.02 0.40 -0.34 0.00 0.00 178.44 177.56 3iar h ILE 299 N -0.16 1.36 -0.00 4.05 2.04 -1.52 -3.00 117.51 120.29 3iar h ILE 299 Ca -0.01 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.42 3iar h ILE 299 Cb 0.14 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3iar h ILE 299 CO 0.01 0.73 -0.03 0.49 0.00 0.00 0.00 178.15 179.35 3iar n PHE 300 N -3.77 0.00 -3.67 1.37 3.72 -0.53 -0.73 117.46 113.86 3iar n PHE 300 Ca -0.09 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 3iar n PHE 300 Cb 0.87 -0.10 0.04 0.00 -0.94 0.00 0.00 39.48 39.35 3iar n PHE 300 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3iar n LYS 301 N -0.86 -5.13 -4.25 -1.08 5.02 0.34 -4.84 118.16 107.36 3iar n LYS 301 Ca 0.19 0.65 -0.14 0.00 -2.02 0.00 0.00 58.31 56.99 3iar n LYS 301 Cb 0.22 -5.27 -0.10 0.00 -0.02 0.00 0.00 35.03 29.86 3iar n LYS 301 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3iar s SER 302 N -4.37 0.95 0.32 4.39 1.04 -0.41 -5.05 113.70 110.56 3iar s SER 302 Ca 0.00 -1.27 0.03 0.00 0.48 0.00 0.00 55.95 55.19 3iar s SER 302 Cb -0.00 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3iar s SER 302 CO 0.80 -0.68 0.13 0.42 0.98 0.00 0.00 173.24 174.89 3iar s THR 303 N -3.80 0.54 0.54 2.02 -4.23 -1.26 -4.72 115.64 104.73 3iar s THR 303 Ca 0.30 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.02 3iar s THR 303 Cb 0.07 -2.55 0.32 0.00 1.34 0.00 0.00 72.50 71.68 3iar s THR 303 CO 0.08 0.00 2.11 -0.07 -0.54 0.00 0.00 174.62 176.20 3iar h LEU 304 N 2.16 0.00 -1.96 4.79 3.38 -1.97 0.13 115.31 121.84 3iar h LEU 304 Ca -0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3iar h LEU 304 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3iar h LEU 304 CO 0.57 0.00 0.02 -0.78 0.09 0.00 0.00 178.44 178.34 3iar h ASP 305 N 0.00 0.04 -0.43 -0.43 3.58 -1.96 -0.08 116.42 117.15 3iar h ASP 305 Ca 0.08 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.55 3iar h ASP 305 Cb 0.33 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 3iar h ASP 305 CO -0.00 0.03 0.25 0.74 -2.88 0.00 0.00 179.24 177.38 3iar h THR 306 N 0.05 1.04 -0.15 2.25 2.02 -1.12 0.26 112.91 117.25 3iar h THR 306 Ca 0.01 -0.17 -0.22 0.00 0.77 0.00 0.00 66.41 66.80 3iar h THR 306 Cb -0.00 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3iar h THR 306 CO -0.00 0.09 -0.77 0.44 0.37 0.00 0.00 175.52 175.65 3iar h ASP 307 N 0.51 0.94 -0.57 4.18 3.32 -1.29 -1.42 116.42 122.08 3iar h ASP 307 Ca 0.17 -0.63 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 3iar h ASP 307 Cb 0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3iar h ASP 307 CO -0.08 1.42 0.02 1.88 -1.72 0.00 0.00 179.24 180.75 3iar h TYR 308 N 0.53 1.09 -0.41 4.55 0.05 -0.95 -2.07 116.97 119.75 3iar h TYR 308 Ca -0.05 -0.18 -0.12 0.00 0.05 0.00 0.00 58.73 58.43 3iar h TYR 308 Cb 1.40 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 3iar h TYR 308 CO 0.09 0.97 -0.22 0.37 -1.05 0.00 0.00 178.16 178.31 3iar h GLN 309 N 0.89 0.83 -0.41 4.88 5.75 -0.47 -0.20 115.11 126.38 3iar h GLN 309 Ca 0.16 -0.34 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 3iar h GLN 309 Cb 0.52 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 3iar h GLN 309 CO 0.03 0.97 0.18 1.98 -2.65 0.00 0.00 178.83 179.34 3iar h MET 310 N 0.72 0.61 -0.18 1.69 4.05 -1.10 0.20 114.93 120.91 3iar h MET 310 Ca 0.10 -0.10 -0.16 0.00 -0.28 0.00 0.00 59.70 59.26 3iar h MET 310 Cb 0.75 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 3iar h MET 310 CO 0.06 0.55 -0.55 1.79 0.23 0.00 0.00 176.91 178.99 3iar h THR 311 N 0.52 1.32 0.13 -0.77 1.35 -1.27 -0.59 112.91 113.62 3iar h THR 311 Ca 0.14 -1.80 -0.01 0.00 -0.55 0.00 0.00 66.41 64.19 3iar h THR 311 Cb 0.16 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3iar h THR 311 CO -0.01 0.56 -0.06 0.50 -0.25 0.00 0.00 175.52 176.25 3iar h LYS 312 N 0.43 -0.17 -0.10 4.72 3.64 -0.83 -0.94 116.57 123.31 3iar h LYS 312 Ca 0.01 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3iar h LYS 312 Cb 1.10 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3iar h LYS 312 CO 0.10 0.16 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.22 3iar h ARG 313 N -0.52 0.26 0.00 1.90 2.43 -0.59 -3.07 114.38 114.79 3iar h ARG 313 Ca -0.02 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3iar h ARG 313 Cb 0.41 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3iar h ARG 313 CO 0.03 0.70 -1.41 -0.25 -1.51 0.00 0.00 179.97 177.53 3iar n ASP 314 N -4.61 0.51 0.00 -3.80 8.00 -0.23 -4.54 116.55 111.88 3iar n ASP 314 Ca -0.07 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3iar n ASP 314 Cb 0.35 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 3iar n ASP 314 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3iar n MET 315 N -2.52 2.26 -1.75 -1.24 2.81 -0.41 -5.00 117.12 111.27 3iar n MET 315 Ca -0.02 -1.27 -0.16 0.00 -1.81 0.00 0.00 57.70 54.44 3iar n MET 315 Cb 0.57 -0.93 -0.05 0.00 -0.71 0.00 0.00 33.22 32.10 3iar n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iar n GLY 316 N -0.39 0.99 3.77 3.03 0.00 -0.98 -4.93 105.19 106.68 3iar n GLY 316 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3iar n GLY 316 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iar s PHE 317 N -2.67 3.00 0.35 1.61 0.40 -0.90 -4.99 117.98 114.78 3iar s PHE 317 Ca 0.00 1.35 0.08 0.00 -0.60 0.00 0.00 56.93 57.76 3iar s PHE 317 Cb 0.00 -3.73 -0.03 0.00 0.51 0.00 0.00 43.02 39.77 3iar s PHE 317 CO 0.00 -2.04 0.23 0.95 0.70 0.00 0.00 175.22 175.05 3iar s THR 318 N -1.02 3.13 0.27 0.64 -4.23 -1.26 -4.53 115.64 108.64 3iar s THR 318 Ca 0.50 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 3iar s THR 318 Cb -0.41 -3.06 0.26 0.00 1.34 0.00 0.00 72.50 70.63 3iar s THR 318 CO 0.53 -0.15 1.82 -0.08 -0.54 0.00 0.00 174.62 176.20 3iar h GLU 319 N 1.37 0.86 -0.78 3.99 4.81 -1.95 -0.90 114.58 121.99 3iar h GLU 319 Ca -0.44 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 3iar h GLU 319 Cb 1.25 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 3iar h GLU 319 CO 0.61 0.57 0.50 1.49 -0.73 0.00 0.00 179.01 181.45 3iar h GLU 320 N 0.89 0.95 -0.33 1.92 4.57 -1.99 -0.45 114.58 120.14 3iar h GLU 320 Ca 0.46 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.44 3iar h GLU 320 Cb 0.47 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3iar h GLU 320 CO -0.27 0.63 -0.37 1.49 -1.18 0.00 0.00 179.01 179.31 3iar h GLU 321 N 0.98 0.79 -0.68 1.92 4.57 -1.68 -0.18 114.58 120.29 3iar h GLU 321 Ca 0.31 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3iar h GLU 321 Cb -0.00 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3iar h GLU 321 CO -0.11 1.03 0.30 0.74 -1.18 0.00 0.00 179.01 179.79 3iar h PHE 322 N 0.65 1.01 -0.20 0.92 0.04 -0.71 0.71 116.94 119.35 3iar h PHE 322 Ca 0.06 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3iar h PHE 322 Cb 0.93 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 3iar h PHE 322 CO 0.05 0.77 0.08 0.87 -0.60 0.00 0.00 178.31 179.48 3iar h LYS 323 N 0.96 0.31 -0.50 1.51 1.57 -0.85 -2.60 116.57 116.96 3iar h LYS 323 Ca 0.23 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 3iar h LYS 323 Cb 0.16 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3iar h LYS 323 CO -0.02 0.37 0.19 -0.09 -0.57 0.00 0.00 179.45 179.32 3iar h ARG 324 N 0.18 0.37 -0.06 3.15 2.43 -0.55 -1.49 114.38 118.41 3iar h ARG 324 Ca 0.07 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 3iar h ARG 324 Cb 0.17 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3iar h ARG 324 CO -0.01 0.24 -0.65 1.37 -1.51 0.00 0.00 179.97 179.42 3iar h LEU 325 N 0.38 0.27 -0.93 3.80 8.10 -0.84 -1.27 115.31 124.82 3iar h LEU 325 Ca 0.24 -0.16 -0.10 0.00 0.11 0.00 0.00 57.88 57.97 3iar h LEU 325 Cb 0.24 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.37 3iar h LEU 325 CO -0.23 0.85 -0.29 0.78 -4.11 0.00 0.00 178.44 175.43 3iar h ASN 326 N 0.17 0.43 -0.60 0.17 2.35 -1.16 0.14 115.58 117.08 3iar h ASN 326 Ca -0.01 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3iar h ASN 326 Cb 1.18 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 3iar h ASN 326 CO 0.10 0.71 0.14 0.40 -1.65 0.00 0.00 177.43 177.13 3iar h ILE 327 N 0.37 1.25 -0.56 2.81 2.04 -0.92 -0.99 117.51 121.51 3iar h ILE 327 Ca 0.05 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3iar h ILE 327 Cb 0.71 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3iar h ILE 327 CO 0.05 0.35 0.16 0.78 0.00 0.00 0.00 178.15 179.49 3iar h ASN 328 N 0.88 0.78 -0.71 1.72 2.35 -0.88 -0.06 115.58 119.66 3iar h ASN 328 Ca 0.19 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3iar h ASN 328 Cb 0.37 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3iar h ASN 328 CO 0.00 0.75 0.21 0.00 -1.65 0.00 0.00 177.43 176.74 3iar h ALA 329 N 1.36 0.93 -0.43 -0.83 0.00 -0.39 0.01 119.26 119.90 3iar h ALA 329 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3iar h ALA 329 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3iar h ALA 329 CO -0.01 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.97 3iar h ALA 330 N 1.10 0.57 -0.08 0.00 0.00 -0.69 -0.09 119.26 120.07 3iar h ALA 330 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3iar h ALA 330 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3iar h ALA 330 CO -0.00 0.27 -0.07 0.87 0.00 0.00 0.00 179.25 180.31 3iar h LYS 331 N 0.57 0.11 -0.13 0.00 1.57 -0.73 -2.39 116.57 115.58 3iar h LYS 331 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3iar h LYS 331 Cb 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3iar h LYS 331 CO 0.00 0.19 0.00 0.43 -0.57 0.00 0.00 179.45 179.50 3iar n SER 332 N -4.39 2.55 -4.57 0.86 7.64 -0.04 -4.96 113.62 110.71 3iar n SER 332 Ca -0.02 -1.84 -0.29 0.00 1.01 0.00 0.00 58.87 57.73 3iar n SER 332 Cb 0.18 -0.07 0.22 0.00 -1.01 0.00 0.00 64.21 63.53 3iar n SER 332 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3iar s SER 333 N -1.82 1.78 -0.24 6.43 1.04 -0.08 -4.94 113.70 115.89 3iar s SER 333 Ca 0.33 1.72 0.14 0.00 0.48 0.00 0.00 55.95 58.63 3iar s SER 333 Cb 0.20 -2.37 0.82 0.00 0.10 0.00 0.00 66.02 64.78 3iar s SER 333 CO 0.31 -3.73 1.75 0.49 0.98 0.00 0.00 173.24 173.04 3iar n PHE 334 N -4.62 2.08 -1.85 5.02 3.72 -1.26 -4.96 117.46 115.59 3iar n PHE 334 Ca 0.06 -0.73 -0.34 0.00 -0.05 0.00 0.00 57.45 56.39 3iar n PHE 334 Cb 0.54 -0.51 0.04 0.00 -0.94 0.00 0.00 39.48 38.61 3iar n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iar s LEU 335 N -2.77 3.51 0.83 4.37 1.43 -1.26 -4.88 118.68 119.91 3iar s LEU 335 Ca 0.55 2.20 -0.13 0.00 -1.03 0.00 0.00 54.13 55.72 3iar s LEU 335 Cb 0.42 -4.58 0.07 0.00 0.03 0.00 0.00 46.19 42.13 3iar s LEU 335 CO 0.16 -1.67 0.98 -2.65 0.23 0.00 0.00 176.35 173.40 3iar n PRO 336 N -2.07 0.05 -0.22 1.29 -0.02 -1.26 -4.71 135.00 128.06 3iar n PRO 336 Ca 0.12 0.09 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 3iar n PRO 336 Cb 0.51 -2.26 0.27 0.00 -0.02 0.00 0.00 33.50 32.00 3iar n PRO 336 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3iar h GLU 337 N -1.05 0.92 -0.34 -0.52 4.39 -1.99 -0.88 114.58 115.12 3iar h GLU 337 Ca -0.45 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 3iar h GLU 337 Cb 1.30 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 3iar h GLU 337 CO 0.43 0.61 0.21 0.38 -1.16 0.00 0.00 179.01 179.48 3iar h ASP 338 N 0.95 0.41 0.37 1.42 3.04 -2.00 -0.51 116.42 120.10 3iar h ASP 338 Ca 0.30 -0.05 -0.10 0.00 -3.24 0.00 0.00 57.03 53.94 3iar h ASP 338 Cb 0.02 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.20 3iar h ASP 338 CO -0.08 0.34 -0.45 -0.33 -2.04 0.00 0.00 179.24 176.67 3iar h GLU 339 N 0.44 0.10 -0.30 4.15 5.08 -1.81 -1.57 114.58 120.67 3iar h GLU 339 Ca 0.12 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3iar h GLU 339 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3iar h GLU 339 CO -0.02 0.54 0.15 0.87 -1.00 0.00 0.00 179.01 179.55 3iar h LYS 340 N 0.09 0.31 -0.76 2.33 1.57 -0.78 0.01 116.57 119.34 3iar h LYS 340 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3iar h LYS 340 Cb 0.83 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 3iar h LYS 340 CO 0.06 0.21 0.49 0.00 -0.57 0.00 0.00 179.45 179.64 3iar h ARG 341 N 0.32 1.02 -0.58 3.15 3.08 -0.68 0.12 114.38 120.81 3iar h ARG 341 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3iar h ARG 341 Cb 0.04 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3iar h ARG 341 CO -0.08 0.70 0.34 1.49 -1.07 0.00 0.00 179.97 181.34 3iar h GLU 342 N 1.04 0.80 -0.40 0.04 4.81 -1.11 0.05 114.58 119.80 3iar h GLU 342 Ca 0.28 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3iar h GLU 342 Cb -0.08 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3iar h GLU 342 CO -0.06 0.59 0.05 1.25 -0.73 0.00 0.00 179.01 180.11 3iar h LEU 343 N 0.79 0.66 -0.81 1.64 5.85 -0.51 -1.76 115.31 121.17 3iar h LEU 343 Ca 0.21 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3iar h LEU 343 Cb 0.01 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3iar h LEU 343 CO -0.04 0.77 0.40 -0.07 -0.34 0.00 0.00 178.44 179.16 3iar h LEU 344 N 0.52 1.04 -0.90 2.25 3.38 -0.62 -0.95 115.31 120.04 3iar h LEU 344 Ca 0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3iar h LEU 344 Cb 0.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3iar h LEU 344 CO 0.01 0.87 0.28 -0.78 0.09 0.00 0.00 178.44 178.91 3iar h ASP 345 N 1.14 1.00 -0.56 -0.43 3.58 -0.77 0.18 116.42 120.55 3iar h ASP 345 Ca 0.28 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 3iar h ASP 345 Cb 0.09 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 3iar h ASP 345 CO -0.04 0.89 0.20 0.25 -2.88 0.00 0.00 179.24 177.67 3iar h LEU 346 N 1.06 0.78 -0.31 2.28 6.46 -0.60 -0.95 115.31 124.03 3iar h LEU 346 Ca 0.24 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 3iar h LEU 346 Cb 0.22 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3iar h LEU 346 CO -0.02 0.76 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.48 3iar h LEU 347 N 0.76 0.55 -0.46 2.25 3.38 -0.51 -0.67 115.31 120.62 3iar h LEU 347 Ca 0.18 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3iar h LEU 347 Cb 0.24 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3iar h LEU 347 CO -0.01 0.74 0.18 1.88 0.09 0.00 0.00 178.44 181.32 3iar h TYR 348 N 0.35 0.33 -0.57 1.13 0.05 -0.50 0.72 116.97 118.48 3iar h TYR 348 Ca 0.09 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 3iar h TYR 348 Cb 0.47 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 3iar h TYR 348 CO 0.04 0.13 0.29 0.87 -1.05 0.00 0.00 178.16 178.44 3iar h LYS 349 N 0.37 0.82 -0.21 4.88 1.57 -1.05 0.09 116.57 123.03 3iar h LYS 349 Ca 0.21 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3iar h LYS 349 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3iar h LYS 349 CO -0.20 0.66 -0.16 0.00 -0.57 0.00 0.00 179.45 179.18 3iar h ALA 350 N 1.12 1.33 -0.01 3.86 0.00 -0.56 -2.89 119.26 122.11 3iar h ALA 350 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iar h ALA 350 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iar h ALA 350 CO -0.03 0.45 -0.20 0.66 0.00 0.00 0.00 179.25 180.13 3iar n TYR 351 N -4.21 0.00 -2.13 0.00 4.01 0.20 -4.94 117.16 110.08 3iar n TYR 351 Ca -0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 3iar n TYR 351 Cb 0.32 -0.14 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 3iar n TYR 351 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iar n GLY 352 N 1.32 0.03 3.92 2.72 0.00 -0.41 -5.04 105.19 107.72 3iar n GLY 352 Ca 0.13 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3iar n GLY 352 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iar s MET 353 N -4.42 3.54 -0.23 1.61 -1.94 -0.12 -5.03 119.30 112.71 3iar s MET 353 Ca 0.00 -0.28 -0.29 0.00 -1.71 0.00 0.00 55.69 53.41 3iar s MET 353 Cb 0.00 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 3iar s MET 353 CO 0.00 0.46 1.59 -1.25 -0.01 0.00 0.00 175.02 175.81 3iar s PRO 354 N -2.97 3.78 0.20 2.03 0.04 -1.26 -4.33 135.00 132.49 3iar s PRO 354 Ca 0.39 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 3iar s PRO 354 Cb -0.12 -4.03 0.14 0.00 0.04 0.00 0.00 34.50 30.54 3iar s PRO 354 CO 0.27 -1.30 1.52 -1.35 0.04 0.00 0.00 177.00 176.18 3iar h PRO 355 N 10.69 0.52 0.01 0.56 0.11 -1.94 -0.95 132.00 141.00 3iar h PRO 355 Ca -0.33 -0.32 -0.00 0.00 0.11 0.00 0.00 66.00 65.46 3iar h PRO 355 Cb 1.15 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3iar h PRO 355 CO 1.01 0.92 -0.00 1.03 -0.21 0.00 0.00 178.00 180.75 3iar h SER 356 N 0.41 -0.01 -0.65 -2.05 0.87 -1.99 -1.77 113.55 108.36 3iar h SER 356 Ca 0.01 -0.51 0.01 0.00 -1.23 0.00 0.00 61.79 60.07 3iar h SER 356 Cb 1.06 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 3iar h SER 356 CO 0.10 0.50 0.43 0.00 -0.53 0.00 0.00 176.83 177.34 3iar h ALA 357 N 0.47 1.54 -0.27 6.23 0.00 -1.97 -0.26 119.26 124.99 3iar h ALA 357 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3iar h ALA 357 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iar h ALA 357 CO 0.00 0.43 -0.10 0.77 0.00 0.00 0.00 179.25 180.35 3iar h SER 358 N 0.88 0.56 -0.83 0.00 0.02 -1.16 -1.28 113.55 111.73 3iar h SER 358 Ca 0.24 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3iar h SER 358 Cb -0.10 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 3iar h SER 358 CO -0.05 0.83 0.55 0.00 -1.14 0.00 0.00 176.83 177.02 3iar h ALA 359 N 0.75 1.43 -0.41 3.77 0.00 -0.95 -2.24 119.26 121.62 3iar h ALA 359 Ca 0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3iar h ALA 359 Cb 0.60 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iar h ALA 359 CO 0.03 0.52 -0.32 0.78 0.00 0.00 0.00 179.25 180.26 3iar h GLY 360 N 1.10 1.01 1.01 0.00 0.00 -0.77 -2.64 103.07 102.78 3iar h GLY 360 Ca 0.31 -0.97 0.04 0.00 0.00 0.00 0.00 47.33 46.71 3iar h GLY 360 CO -0.08 0.88 0.57 1.46 0.00 0.00 0.00 176.54 179.37 3iar h GLN 361 N 0.77 1.03 0.00 4.80 4.20 -0.99 -2.47 115.11 122.45 3iar h GLN 361 Ca 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3iar h GLN 361 Cb 0.90 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 3iar h GLN 361 CO 0.08 0.68 -0.04 -0.91 -0.67 0.00 0.00 178.83 177.98 3iar h ASN 362 N 1.06 0.00 0.08 1.46 2.35 -1.04 -2.03 115.58 117.46 3iar h ASN 362 Ca 0.35 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3iar h ASN 362 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3iar h ASN 362 CO -0.11 0.04 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.64 3iar h LEU 363 N 0.00 0.00 0.00 1.61 3.38 -1.31 -3.51 115.31 115.47 3iar h LEU 363 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iar h LEU 363 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3iar h LEU 363 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.54