#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irh s THR 2 N 0.00 2.92 -0.08 3.17 -1.32 -1.26 -4.96 115.64 114.10 3irh s THR 2 Ca 0.00 0.60 -0.24 0.00 -1.21 0.00 0.00 61.69 60.84 3irh s THR 2 Cb 0.00 -3.38 -0.03 0.00 -1.51 0.00 0.00 72.50 67.57 3irh s THR 2 CO 0.00 0.03 0.74 -0.63 -2.21 0.00 0.00 174.62 172.56 3irh s ILE 3 N 1.50 5.00 0.48 5.08 1.09 -1.26 -5.04 121.20 128.06 3irh s ILE 3 Ca 0.69 1.52 -0.24 0.00 -1.10 0.00 0.00 60.65 61.52 3irh s ILE 3 Cb -0.41 -4.08 -0.07 0.00 -1.06 0.00 0.00 42.46 36.85 3irh s ILE 3 CO 0.31 0.20 1.38 -2.84 -0.10 0.00 0.00 174.94 173.89 3irh s PRO 4 N 1.10 3.51 0.27 2.79 0.02 -1.26 -4.79 135.00 136.64 3irh s PRO 4 Ca 0.38 2.30 -0.00 0.00 0.02 0.00 0.00 61.00 63.70 3irh s PRO 4 Cb -0.18 -2.50 0.59 0.00 0.02 0.00 0.00 34.50 32.43 3irh s PRO 4 CO 0.18 -0.92 1.72 -0.92 -0.33 0.00 0.00 177.00 176.73 3irh h TYR 5 N 2.02 0.60 -0.40 6.54 3.20 -1.90 -0.49 116.97 126.53 3irh h TYR 5 Ca -0.51 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.47 3irh h TYR 5 Cb 1.28 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 3irh h TYR 5 CO 0.49 0.02 0.27 1.57 -1.64 0.00 0.00 178.16 178.88 3irh h LYS 6 N 0.45 0.27 0.00 1.82 2.10 -1.86 -2.74 116.57 116.60 3irh h LYS 6 Ca 0.49 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 59.08 3irh h LYS 6 Cb 0.83 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 3irh h LYS 6 CO -0.46 0.18 -1.45 0.39 -2.00 0.00 0.00 179.45 176.11 3irh n GLU 7 N -4.47 0.63 -1.47 0.07 4.71 -0.26 -4.94 120.64 114.91 3irh n GLU 7 Ca 0.05 0.04 -0.44 0.00 -0.01 0.00 0.00 57.16 56.80 3irh n GLU 7 Cb 0.27 -1.72 -0.10 0.00 -1.01 0.00 0.00 31.44 28.89 3irh n GLU 7 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3irh n GLN 8 N -2.59 0.44 -3.41 3.49 6.02 -0.83 -4.93 117.38 115.57 3irh n GLN 8 Ca -0.05 0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.62 3irh n GLN 8 Cb 0.64 -2.13 -0.06 0.00 1.02 0.00 0.00 30.24 29.71 3irh n GLN 8 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3irh s ARG 9 N 7.92 4.02 0.25 -1.09 3.00 -1.26 -1.28 118.95 130.51 3irh s ARG 9 Ca 1.20 0.53 -0.30 0.00 0.00 0.00 0.00 55.73 57.17 3irh s ARG 9 Cb -0.97 -3.20 -0.10 0.00 0.00 0.00 0.00 34.95 30.68 3irh s ARG 9 CO 0.46 0.66 1.39 -0.51 0.00 0.00 0.00 175.30 177.30 3irh s LEU 10 N -1.17 4.40 0.30 2.53 1.43 0.11 -4.84 118.68 121.44 3irh s LEU 10 Ca 0.27 2.61 0.02 0.00 -1.03 0.00 0.00 54.13 56.00 3irh s LEU 10 Cb -0.18 -3.62 0.49 0.00 0.03 0.00 0.00 46.19 42.91 3irh s LEU 10 CO 0.16 -0.64 1.82 1.55 0.23 0.00 0.00 176.35 179.47 3irh h PRO 11 N 4.88 0.62 -5.41 1.29 0.13 -1.97 -3.40 132.00 128.14 3irh h PRO 11 Ca -0.46 -0.15 -0.67 0.00 -0.87 0.00 0.00 66.00 63.85 3irh h PRO 11 Cb 1.22 -0.08 -0.30 0.00 0.13 0.00 0.00 31.00 31.96 3irh h PRO 11 CO 0.76 0.65 -0.83 0.42 -0.23 0.00 0.00 178.00 178.77 3irh s ILE 12 N -4.94 2.46 0.11 -3.56 1.09 -1.26 -5.10 121.20 109.99 3irh s ILE 12 Ca -0.08 -0.88 -0.34 0.00 -1.10 0.00 0.00 60.65 58.25 3irh s ILE 12 Cb 0.15 -1.98 -0.14 0.00 -1.06 0.00 0.00 42.46 39.44 3irh s ILE 12 CO 0.78 0.55 1.61 1.21 -0.10 0.00 0.00 174.94 178.99 3irh n GLU 13 N 3.45 2.05 -3.30 2.79 2.13 -1.26 -4.97 120.64 121.52 3irh n GLU 13 Ca -0.19 0.74 -0.38 0.00 0.66 0.00 0.00 57.16 58.00 3irh n GLU 13 Cb 0.53 -2.51 -0.06 0.00 0.27 0.00 0.00 31.44 29.67 3irh n GLU 13 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3irh s LYS 14 N 1.45 4.28 0.02 5.31 2.20 -0.92 -4.95 119.74 127.12 3irh s LYS 14 Ca 0.82 0.54 0.08 0.00 -0.36 0.00 0.00 55.97 57.05 3irh s LYS 14 Cb -0.71 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.20 3irh s LYS 14 CO 0.41 0.28 -0.25 0.14 -0.36 0.00 0.00 175.35 175.58 3irh s VAL 15 N 0.18 1.96 -0.15 4.02 -7.23 -1.26 -0.65 120.40 117.27 3irh s VAL 15 Ca 0.27 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 3irh s VAL 15 Cb -0.16 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.12 3irh s VAL 15 CO 0.13 0.41 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.77 3irh s PHE 16 N -0.71 2.72 0.20 2.82 0.40 -0.44 -4.93 117.98 118.05 3irh s PHE 16 Ca 0.10 -1.37 -0.31 0.00 -0.60 0.00 0.00 56.93 54.75 3irh s PHE 16 Cb -0.09 -1.86 -0.10 0.00 0.51 0.00 0.00 43.02 41.47 3irh s PHE 16 CO 0.01 -0.64 1.50 0.50 0.70 0.00 0.00 175.22 177.28 3irh s ARG 17 N 0.96 4.25 -0.03 0.44 6.06 -1.26 -0.29 118.95 129.07 3irh s ARG 17 Ca -0.03 2.31 -0.00 0.00 -2.50 0.00 0.00 55.73 55.51 3irh s ARG 17 Cb -0.15 -3.14 0.03 0.00 0.06 0.00 0.00 34.95 31.75 3irh s ARG 17 CO -0.05 -0.51 0.02 0.34 -2.50 0.00 0.00 175.30 172.60 3irh s ASP 18 N 0.77 0.50 0.44 -2.12 2.15 -0.32 -4.89 116.67 113.20 3irh s ASP 18 Ca 0.65 0.00 0.19 0.00 0.43 0.00 0.00 52.55 53.81 3irh s ASP 18 Cb -0.42 -0.18 1.01 0.00 -0.30 0.00 0.00 42.92 43.02 3irh s ASP 18 CO 0.37 -0.14 1.93 1.55 -0.17 0.00 0.00 175.17 178.71 3irh h PRO 19 N 7.50 0.00 0.02 4.34 0.13 -1.95 0.21 132.00 142.25 3irh h PRO 19 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3irh h PRO 19 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3irh h PRO 19 CO 0.42 0.25 -0.01 0.28 -0.23 0.00 0.00 178.00 178.71 3irh h VAL 20 N 0.00 0.71 -0.18 1.56 2.07 -1.96 -3.38 116.25 115.07 3irh h VAL 20 Ca -0.00 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3irh h VAL 20 Cb 0.52 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3irh h VAL 20 CO 0.03 0.24 0.00 1.41 0.02 0.00 0.00 177.57 179.27 3irh n HIS 21 N -4.74 0.21 0.00 1.57 8.25 -1.24 -4.98 115.22 114.31 3irh n HIS 21 Ca -0.04 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3irh n HIS 21 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3irh n HIS 21 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3irh n ASN 22 N 1.08 0.00 -3.91 0.41 5.15 0.74 -4.77 115.26 113.96 3irh n ASN 22 Ca 0.17 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.03 3irh n ASN 22 Cb 0.53 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.64 3irh n ASN 22 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3irh s TYR 23 N 0.00 0.15 -0.21 1.20 1.51 -1.26 -1.17 117.35 117.57 3irh s TYR 23 Ca 0.00 -0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 3irh s TYR 23 Cb 0.00 -0.10 -0.05 0.00 -0.11 0.00 0.00 41.96 41.70 3irh s TYR 23 CO 0.00 -0.03 0.16 0.42 -1.11 0.00 0.00 175.55 174.98 3irh s ILE 24 N -0.29 5.38 -0.15 2.71 -1.09 0.60 -4.89 121.20 123.47 3irh s ILE 24 Ca -0.02 0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.58 3irh s ILE 24 Cb -0.02 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 3irh s ILE 24 CO -0.00 0.40 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.05 3irh s HIS 25 N 0.67 2.98 -0.15 3.97 3.76 -1.26 -1.33 115.29 123.92 3irh s HIS 25 Ca 0.08 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3irh s HIS 25 Cb -0.12 -1.95 0.02 0.00 1.11 0.00 0.00 32.58 31.64 3irh s HIS 25 CO 0.01 -0.09 -0.16 0.08 -0.85 0.00 0.00 174.74 173.73 3irh s VAL 26 N 0.42 1.71 -0.22 -0.90 1.01 0.17 -4.97 120.40 117.63 3irh s VAL 26 Ca -0.05 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.31 3irh s VAL 26 Cb -0.15 -1.58 -0.21 0.00 0.00 0.00 0.00 36.38 34.45 3irh s VAL 26 CO 0.03 0.48 -0.06 0.00 0.00 0.00 0.00 175.10 175.56 3irh n GLN 27 N 4.65 0.73 -3.51 2.72 1.13 -1.26 -2.17 117.38 119.68 3irh n GLN 27 Ca -0.18 0.06 -0.38 0.00 -1.94 0.00 0.00 57.00 54.56 3irh n GLN 27 Cb 0.50 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.29 3irh n GLN 27 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3irh s HIS 28 N -2.48 3.66 0.24 1.08 3.76 -1.26 0.06 115.29 120.33 3irh s HIS 28 Ca -0.20 0.90 -0.06 0.00 -0.15 0.00 0.00 55.06 55.55 3irh s HIS 28 Cb 0.07 -2.31 0.34 0.00 1.11 0.00 0.00 32.58 31.79 3irh s HIS 28 CO 0.70 0.53 1.82 0.37 -0.85 0.00 0.00 174.74 177.32 3irh h GLN 29 N 5.26 0.79 -0.67 1.40 5.75 -1.51 -2.40 115.11 123.73 3irh h GLN 29 Ca -0.49 -0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.07 3irh h GLN 29 Cb 1.21 -0.18 -0.08 0.00 1.07 0.00 0.00 27.48 29.50 3irh h GLN 29 CO 0.65 0.53 0.27 0.28 -2.65 0.00 0.00 178.83 177.91 3irh h VAL 30 N 0.82 0.75 -0.21 2.39 2.07 -1.80 0.38 116.25 120.65 3irh h VAL 30 Ca 0.37 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 3irh h VAL 30 Cb 0.26 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3irh h VAL 30 CO -0.21 0.08 -0.04 0.40 0.02 0.00 0.00 177.57 177.82 3irh h ILE 31 N 0.46 1.28 -0.32 4.57 1.08 -1.88 -1.34 117.51 121.36 3irh h ILE 31 Ca 0.35 -1.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.84 3irh h ILE 31 Cb 0.45 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 3irh h ILE 31 CO -0.33 0.31 0.14 0.25 -0.69 0.00 0.00 178.15 177.82 3irh h LEU 32 N 0.12 0.18 -0.96 1.44 5.85 -1.15 -0.09 115.31 120.72 3irh h LEU 32 Ca 0.05 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.88 3irh h LEU 32 Cb 0.48 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 3irh h LEU 32 CO 0.02 0.14 0.60 0.44 -0.34 0.00 0.00 178.44 179.31 3irh h ASP 33 N 0.29 0.93 -0.58 1.25 3.32 -0.85 -1.60 116.42 119.19 3irh h ASP 33 Ca 0.14 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3irh h ASP 33 Cb 0.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3irh h ASP 33 CO -0.12 0.56 0.14 -0.07 -1.72 0.00 0.00 179.24 178.03 3irh h LEU 34 N 1.04 0.88 -0.55 1.55 3.38 -0.39 -2.05 115.31 119.16 3irh h LEU 34 Ca 0.44 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3irh h LEU 34 Cb 0.29 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3irh h LEU 34 CO -0.21 0.88 0.36 0.40 0.09 0.00 0.00 178.44 179.95 3irh h ILE 35 N 0.83 1.12 0.00 1.22 2.04 -0.52 -2.29 117.51 119.90 3irh h ILE 35 Ca 0.18 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3irh h ILE 35 Cb 0.34 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3irh h ILE 35 CO 0.00 0.13 0.00 0.59 0.00 0.00 0.00 178.15 178.87 3irh n ASN 36 N -4.72 0.00 -4.77 1.72 3.02 -0.65 -4.17 115.26 105.69 3irh n ASN 36 Ca 0.04 0.27 -0.35 0.00 -0.03 0.00 0.00 54.58 54.51 3irh n ASN 36 Cb 0.04 -0.41 0.03 0.00 -0.61 0.00 0.00 39.78 38.83 3irh n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3irh s SER 37 N -2.82 5.32 0.26 6.41 1.04 -0.79 -4.80 113.70 118.32 3irh s SER 37 Ca 0.15 2.17 -0.02 0.00 0.48 0.00 0.00 55.95 58.74 3irh s SER 37 Cb 0.15 -2.58 0.45 0.00 0.10 0.00 0.00 66.02 64.15 3irh s SER 37 CO 0.38 -1.50 1.82 0.00 0.98 0.00 0.00 173.24 174.93 3irh h ALA 38 N 0.66 1.30 0.00 5.32 0.00 -1.90 -1.34 119.26 123.31 3irh h ALA 38 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3irh h ALA 38 Cb 1.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3irh h ALA 38 CO 0.55 0.16 -0.39 1.05 0.00 0.00 0.00 179.25 180.62 3irh h GLU 39 N 0.88 0.00 0.13 0.00 9.09 -1.92 -2.43 114.58 120.33 3irh h GLU 39 Ca 0.44 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.52 3irh h GLU 39 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 3irh h GLU 39 CO -0.25 0.00 -1.67 0.28 0.05 0.00 0.00 179.01 177.41 3irh h VAL 40 N 0.00 0.99 0.00 -1.06 2.07 -1.76 -3.33 116.25 113.16 3irh h VAL 40 Ca 0.00 -2.64 -0.03 0.00 0.82 0.00 0.00 66.70 64.85 3irh h VAL 40 Cb 0.85 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3irh h VAL 40 CO 0.00 0.81 -0.12 1.56 0.02 0.00 0.00 177.57 179.84 3irh h GLN 41 N 0.07 0.00 0.00 1.57 1.08 -1.22 -2.31 115.11 114.31 3irh h GLN 41 Ca -0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 3irh h GLN 41 Cb 2.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.47 3irh h GLN 41 CO 0.15 0.12 0.00 -0.09 -0.95 0.00 0.00 178.83 178.06 3irh h ARG 42 N 0.00 0.00 0.00 1.46 2.43 -1.55 -2.29 114.38 114.44 3irh h ARG 42 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3irh h ARG 42 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3irh h ARG 42 CO 0.02 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.76 3irh n LEU 43 N -3.02 0.00 0.31 3.80 4.77 -0.87 -2.24 117.00 119.75 3irh n LEU 43 Ca -0.01 0.48 0.19 0.00 -0.03 0.00 0.00 56.01 56.64 3irh n LEU 43 Cb 0.17 -0.48 0.98 0.00 -2.33 0.00 0.00 43.42 41.75 3irh n LEU 43 CO 0.22 -0.09 1.10 0.03 -1.33 0.00 0.00 177.39 177.32 3irh h ARG 44 N 0.00 0.00 -0.31 3.23 3.08 -1.59 -1.84 114.38 116.96 3irh h ARG 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3irh h ARG 44 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3irh h ARG 44 CO 0.00 0.02 0.00 0.54 -1.07 0.00 0.00 179.97 179.46 3irh n ARG 45 N -3.22 3.12 -3.90 0.04 1.74 -0.95 -4.83 116.66 108.67 3irh n ARG 45 Ca -0.02 -2.79 -0.28 0.00 -0.77 0.00 0.00 57.85 53.98 3irh n ARG 45 Cb 0.16 -1.83 -0.16 0.00 -1.02 0.00 0.00 32.46 29.61 3irh n ARG 45 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3irh s ILE 46 N -2.61 1.16 0.28 0.55 1.01 -1.16 -2.14 121.20 118.30 3irh s ILE 46 Ca 0.42 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 3irh s ILE 46 Cb 0.33 -1.35 -0.11 0.00 0.01 0.00 0.00 42.46 41.33 3irh s ILE 46 CO 0.11 0.10 1.60 -0.54 0.00 0.00 0.00 174.94 176.21 3irh s LYS 47 N 1.60 4.13 0.30 2.79 1.02 -1.26 -0.19 119.74 128.13 3irh s LYS 47 Ca 0.00 2.57 -0.01 0.00 0.02 0.00 0.00 55.97 58.55 3irh s LYS 47 Cb -0.16 -3.03 0.46 0.00 -0.52 0.00 0.00 37.83 34.58 3irh s LYS 47 CO -0.08 -0.64 1.95 0.37 -0.92 0.00 0.00 175.35 176.03 3irh h GLN 48 N 5.07 1.01 -0.01 1.68 5.75 -1.02 -3.31 115.11 124.28 3irh h GLN 48 Ca -0.47 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 57.95 3irh h GLN 48 Cb 1.22 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.55 3irh h GLN 48 CO 0.81 0.71 -0.04 1.28 -2.65 0.00 0.00 178.83 178.93 3irh n LEU 49 N -4.39 1.56 0.00 -2.39 4.77 -1.26 -4.98 117.00 110.32 3irh n LEU 49 Ca 0.08 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3irh n LEU 49 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3irh n LEU 49 CO 0.37 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3irh n GLY 50 N 0.57 1.25 0.34 -0.72 0.00 -1.25 -2.47 105.19 102.91 3irh n GLY 50 Ca 0.05 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.45 3irh n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3irh n THR 51 N 0.00 0.00 -0.03 2.61 -2.24 -1.26 -4.13 114.28 109.23 3irh n THR 51 Ca 0.00 -0.18 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 3irh n THR 51 Cb 0.00 0.39 0.37 0.00 -2.10 0.00 0.00 70.33 68.98 3irh n THR 51 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3irh h SER 52 N 1.66 0.54 -0.13 3.42 0.02 -1.80 -2.16 113.55 115.10 3irh h SER 52 Ca 0.00 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3irh h SER 52 Cb 0.48 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3irh h SER 52 CO 0.00 0.44 0.23 0.77 -1.14 0.00 0.00 176.83 177.13 3irh h SER 53 N 0.62 0.00 0.62 3.07 4.64 -1.72 0.48 113.55 121.27 3irh h SER 53 Ca 0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3irh h SER 53 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3irh h SER 53 CO -0.03 0.00 -0.03 -0.26 -0.87 0.00 0.00 176.83 175.65 3irh h PHE 54 N 0.00 0.00 0.00 4.77 -1.00 -1.69 -3.06 116.94 115.96 3irh h PHE 54 Ca 0.06 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.55 3irh h PHE 54 Cb 0.53 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.04 3irh h PHE 54 CO 0.00 0.03 -2.03 2.41 -1.61 0.00 0.00 178.31 177.11 3irh n THR 55 N -3.18 1.03 -3.86 -1.55 -1.04 0.14 -4.83 114.28 100.99 3irh n THR 55 Ca -0.01 -0.34 -0.33 0.00 -2.04 0.00 0.00 64.05 61.33 3irh n THR 55 Cb 0.23 -1.39 -0.12 0.00 -1.82 0.00 0.00 70.33 67.23 3irh n THR 55 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3irh s PHE 56 N -2.35 3.46 -0.95 -1.42 0.08 0.38 -4.98 117.98 112.20 3irh s PHE 56 Ca -0.25 -2.85 0.10 0.00 0.12 0.00 0.00 56.93 54.06 3irh s PHE 56 Cb 0.08 -3.04 0.44 0.00 -0.57 0.00 0.00 43.02 39.92 3irh s PHE 56 CO 0.38 -0.86 1.32 -2.39 -0.10 0.00 0.00 175.22 173.56 3irh n HIS 57 N 3.78 0.07 0.63 0.36 1.44 -1.16 -1.37 115.22 118.97 3irh n HIS 57 Ca 0.04 0.03 0.13 0.00 -2.01 0.00 0.00 57.72 55.91 3irh n HIS 57 Cb 0.38 -0.55 0.36 0.00 0.12 0.00 0.00 29.99 30.30 3irh n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3irh n GLY 58 N -0.58 -1.63 2.24 -1.39 0.00 -1.26 -4.50 105.19 98.07 3irh n GLY 58 Ca 0.02 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3irh n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irh n ALA 59 N -1.78 7.23 -0.45 4.61 0.00 -0.47 -4.43 120.51 125.21 3irh n ALA 59 Ca 0.05 -3.08 0.09 0.00 0.00 0.00 0.00 53.44 50.50 3irh n ALA 59 Cb 0.43 -3.11 0.28 0.00 0.00 0.00 0.00 19.45 17.04 3irh n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3irh n GLU 60 N 3.33 3.11 -2.16 0.00 -0.58 -1.26 -4.33 120.64 118.74 3irh n GLU 60 Ca 0.69 -2.57 -0.37 0.00 -0.42 0.00 0.00 57.16 54.49 3irh n GLU 60 Cb 0.40 -1.60 -0.00 0.00 -0.57 0.00 0.00 31.44 29.66 3irh n GLU 60 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 3irh s HIS 61 N -1.43 2.78 0.60 -0.32 -3.43 -1.26 -4.86 115.29 107.37 3irh s HIS 61 Ca 0.41 1.50 -0.03 0.00 -0.80 0.00 0.00 55.06 56.14 3irh s HIS 61 Cb 0.25 -3.47 0.03 0.00 -1.43 0.00 0.00 32.58 27.95 3irh s HIS 61 CO 0.23 -1.78 0.87 -1.54 -2.00 0.00 0.00 174.74 170.52 3irh s SER 62 N -1.23 5.26 0.39 7.38 1.04 -1.26 -0.55 113.70 124.73 3irh s SER 62 Ca 0.64 0.35 0.17 0.00 0.48 0.00 0.00 55.95 57.59 3irh s SER 62 Cb -0.31 -1.23 0.80 0.00 0.10 0.00 0.00 66.02 65.37 3irh s SER 62 CO 0.38 -1.22 1.82 0.03 0.98 0.00 0.00 173.24 175.23 3irh h ARG 63 N -0.17 0.00 -0.01 4.02 3.08 -0.24 -3.12 114.38 117.93 3irh h ARG 63 Ca -0.44 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.64 3irh h ARG 63 Cb 1.29 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.29 3irh h ARG 63 CO 0.58 0.35 -0.26 0.35 -1.07 0.00 0.00 179.97 179.92 3irh h PHE 64 N 0.00 -0.71 -0.30 3.04 3.57 -1.59 -0.54 116.94 120.40 3irh h PHE 64 Ca -0.00 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 3irh h PHE 64 Cb 0.71 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3irh h PHE 64 CO 0.00 -0.35 -0.22 0.66 -2.23 0.00 0.00 178.31 176.16 3irh h SER 65 N -0.40 0.57 -0.34 0.41 4.64 -1.85 -1.82 113.55 114.76 3irh h SER 65 Ca 0.07 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3irh h SER 65 Cb 0.49 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 3irh h SER 65 CO -0.24 0.79 0.17 -0.74 -0.87 0.00 0.00 176.83 175.95 3irh h HIS 66 N 0.50 0.32 -0.54 4.77 -0.00 -1.45 -0.81 115.15 117.95 3irh h HIS 66 Ca 0.08 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 3irh h HIS 66 Cb 0.66 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.93 3irh h HIS 66 CO 0.03 0.18 0.30 0.77 -0.00 0.00 0.00 177.93 179.21 3irh h SER 67 N 0.36 0.46 -0.28 3.26 0.02 -0.48 0.88 113.55 117.77 3irh h SER 67 Ca 0.14 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3irh h SER 67 Cb 0.04 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3irh h SER 67 CO -0.09 0.32 0.01 -0.07 -1.14 0.00 0.00 176.83 175.85 3irh h LEU 68 N 0.59 0.56 -0.34 5.07 4.07 -1.27 -1.63 115.31 122.36 3irh h LEU 68 Ca 0.23 -0.11 -0.05 0.00 0.08 0.00 0.00 57.88 58.03 3irh h LEU 68 Cb 0.09 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3irh h LEU 68 CO -0.13 0.63 -0.00 1.23 -1.08 0.00 0.00 178.44 179.08 3irh h GLY 69 N 0.88 0.65 0.98 0.83 0.00 -0.23 0.10 103.07 106.27 3irh h GLY 69 Ca 0.12 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3irh h GLY 69 CO 0.01 0.44 0.26 -2.08 0.00 0.00 0.00 176.54 175.17 3irh h VAL 70 N 0.41 1.21 -0.57 4.60 2.07 -0.68 -1.67 116.25 121.62 3irh h VAL 70 Ca 0.10 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.09 3irh h VAL 70 Cb 0.45 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3irh h VAL 70 CO 0.02 0.24 0.24 0.22 0.02 0.00 0.00 177.57 178.31 3irh h TYR 71 N 0.75 0.43 -0.49 1.57 3.20 -1.22 -1.76 116.97 119.45 3irh h TYR 71 Ca 0.19 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 3irh h TYR 71 Cb 0.14 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3irh h TYR 71 CO -0.00 0.16 -0.18 1.49 -1.64 0.00 0.00 178.16 177.99 3irh h GLU 72 N 0.45 0.99 -0.32 1.82 4.57 -0.61 -2.01 114.58 119.46 3irh h GLU 72 Ca 0.27 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3irh h GLU 72 Cb 0.27 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3irh h GLU 72 CO -0.24 1.07 0.14 0.82 -1.18 0.00 0.00 179.01 179.63 3irh h ILE 73 N 0.86 1.17 -0.44 2.32 2.04 -1.21 -2.40 117.51 119.85 3irh h ILE 73 Ca 0.12 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.54 3irh h ILE 73 Cb 0.75 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3irh h ILE 73 CO 0.06 0.18 0.13 0.74 0.00 0.00 0.00 178.15 179.26 3irh h THR 74 N 0.38 0.83 -0.00 -0.27 2.02 -1.23 -0.69 112.91 113.95 3irh h THR 74 Ca 0.11 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 3irh h THR 74 Cb 0.15 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3irh h THR 74 CO -0.01 0.05 -0.51 0.08 0.37 0.00 0.00 175.52 175.50 3irh h ARG 75 N 0.29 0.01 -0.73 6.66 0.11 -1.29 -0.52 114.38 118.91 3irh h ARG 75 Ca 0.21 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.27 3irh h ARG 75 Cb 0.22 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.27 3irh h ARG 75 CO -0.23 0.52 0.41 0.00 0.10 0.00 0.00 179.97 180.76 3irh h ARG 76 N 0.01 1.00 -0.38 0.08 3.08 -0.89 -0.65 114.38 116.64 3irh h ARG 76 Ca -0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3irh h ARG 76 Cb 0.91 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3irh h ARG 76 CO 0.07 0.74 0.24 0.82 -1.07 0.00 0.00 179.97 180.77 3irh h ILE 77 N 1.00 1.11 -0.72 2.04 2.04 -0.66 -2.44 117.51 119.87 3irh h ILE 77 Ca 0.26 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3irh h ILE 77 Cb 0.02 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3irh h ILE 77 CO -0.04 0.11 0.36 0.00 0.00 0.00 0.00 178.15 178.58 3irh h GLU 79 N 1.02 0.86 -0.41 0.00 4.39 -1.03 -0.29 114.58 119.13 3irh h GLU 79 Ca 0.25 -0.25 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 3irh h GLU 79 Cb 0.08 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3irh h GLU 79 CO -0.04 0.87 -0.35 0.82 -1.16 0.00 0.00 179.01 179.16 3irh h ILE 80 N 0.73 1.27 -0.82 3.13 2.04 -1.00 -1.25 117.51 121.60 3irh h ILE 80 Ca 0.15 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 3irh h ILE 80 Cb 0.46 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3irh h ILE 80 CO 0.02 0.51 0.45 -0.26 0.00 0.00 0.00 178.15 178.88 3irh h PHE 81 N 0.79 1.13 -0.08 1.37 0.05 -0.87 -0.05 116.94 119.28 3irh h PHE 81 Ca 0.07 -0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.77 3irh h PHE 81 Cb 0.95 -0.36 0.00 0.00 2.00 0.00 0.00 35.95 38.54 3irh h PHE 81 CO 0.06 0.78 -0.22 0.37 -0.18 0.00 0.00 178.31 179.13 3irh h GLN 82 N 1.14 0.29 -0.55 1.51 5.75 -0.88 0.31 115.11 122.69 3irh h GLN 82 Ca 0.29 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3irh h GLN 82 Cb 0.03 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3irh h GLN 82 CO -0.05 0.82 0.36 -0.09 -2.65 0.00 0.00 178.83 177.22 3irh h ARG 83 N -0.19 0.72 0.00 1.69 9.65 -1.20 -3.36 114.38 121.69 3irh h ARG 83 Ca -0.00 -0.05 -0.21 0.00 -1.10 0.00 0.00 59.98 58.62 3irh h ARG 83 Cb 0.83 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.21 3irh h ARG 83 CO 0.05 0.48 -1.85 0.09 2.80 0.00 0.00 179.97 181.54 3irh n ASN 84 N -4.70 1.90 -2.60 -3.80 3.02 -0.04 -4.82 115.26 104.22 3irh n ASN 84 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.50 3irh n ASN 84 Cb 0.02 0.86 0.04 0.00 -0.61 0.00 0.00 39.78 40.09 3irh n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3irh n TYR 85 N -2.43 1.71 -1.69 3.10 4.02 0.08 -5.01 117.16 116.93 3irh n TYR 85 Ca -0.19 -2.24 -0.32 0.00 -0.01 0.00 0.00 57.90 55.14 3irh n TYR 85 Cb 0.87 -0.27 0.04 0.00 -0.02 0.00 0.00 39.34 39.97 3irh n TYR 85 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3irh s SER 86 N -3.69 5.35 0.27 7.72 1.04 -1.07 0.03 113.70 123.34 3irh s SER 86 Ca 0.34 1.75 -0.01 0.00 0.48 0.00 0.00 55.95 58.51 3irh s SER 86 Cb 0.36 -2.52 0.49 0.00 0.10 0.00 0.00 66.02 64.45 3irh s SER 86 CO -0.02 -1.46 1.83 0.58 0.98 0.00 0.00 173.24 175.15 3irh h VAL 87 N -0.34 0.93 -0.95 5.02 2.07 -1.53 0.18 116.25 121.64 3irh h VAL 87 Ca -0.45 -0.33 0.28 0.00 0.82 0.00 0.00 66.70 67.02 3irh h VAL 87 Cb 1.22 -0.11 -0.15 0.00 -1.52 0.00 0.00 31.29 30.74 3irh h VAL 87 CO 0.56 0.17 0.42 -0.08 0.02 0.00 0.00 177.57 178.66 3irh h GLU 88 N 0.96 0.27 0.09 1.57 4.57 -1.88 0.57 114.58 120.73 3irh h GLU 88 Ca 0.46 -0.02 -0.37 0.00 -1.18 0.00 0.00 59.36 58.26 3irh h GLU 88 Cb 0.42 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 3irh h GLU 88 CO -0.25 0.18 -2.09 -2.13 -1.18 0.00 0.00 179.01 173.54 3irh n ARG 89 N -5.13 0.72 0.00 1.92 0.63 -0.71 -4.66 116.66 109.44 3irh n ARG 89 Ca 0.27 0.25 0.03 0.00 -0.92 0.00 0.00 57.85 57.48 3irh n ARG 89 Cb 0.84 -1.66 0.02 0.00 0.45 0.00 0.00 32.46 32.11 3irh n ARG 89 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3irh n LEU 90 N -3.49 1.47 0.00 6.15 4.77 -0.03 -5.03 117.00 120.85 3irh n LEU 90 Ca -0.36 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 3irh n LEU 90 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 3irh n LEU 90 CO 0.37 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3irh n GLY 91 N 0.34 3.94 0.25 -0.72 0.00 0.20 -2.95 105.19 106.24 3irh n GLY 91 Ca 0.03 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3irh n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3irh h GLU 92 N 0.00 0.00 -0.57 1.61 4.81 -1.96 -1.42 114.58 117.05 3irh h GLU 92 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3irh h GLU 92 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3irh h GLU 92 CO 0.00 0.08 0.00 0.09 -0.73 0.00 0.00 179.01 178.45 3irh n ASN 93 N -4.33 2.30 -4.85 1.04 3.02 -1.15 -3.71 115.26 107.58 3irh n ASN 93 Ca -0.03 -2.19 -0.25 0.00 -0.03 0.00 0.00 54.58 52.08 3irh n ASN 93 Cb 0.16 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 3irh n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3irh s GLY 94 N -0.66 2.33 -0.17 7.41 0.00 -0.54 -3.65 107.32 112.04 3irh s GLY 94 Ca 0.21 -1.60 -0.18 0.00 0.00 0.00 0.00 44.72 43.16 3irh s GLY 94 CO 0.10 -1.89 0.47 0.86 0.00 0.00 0.00 173.10 172.65 3irh s TRP 95 N -2.66 3.42 -0.46 1.90 -0.11 0.10 -4.56 118.94 116.58 3irh s TRP 95 Ca 0.38 0.77 -0.22 0.00 1.22 0.00 0.00 56.10 58.26 3irh s TRP 95 Cb -0.01 -2.60 0.03 0.00 -1.50 0.00 0.00 33.47 29.40 3irh s TRP 95 CO 0.22 0.01 0.71 1.21 -4.62 0.00 0.00 176.95 174.48 3irh s ASN 96 N 0.95 6.34 0.00 5.86 2.47 -1.26 -1.63 114.94 127.68 3irh s ASN 96 Ca 0.23 -0.33 0.20 0.00 0.42 0.00 0.00 52.86 53.38 3irh s ASN 96 Cb -0.15 -2.35 1.02 0.00 -1.45 0.00 0.00 41.25 38.32 3irh s ASN 96 CO 0.09 -0.87 1.63 -0.67 -3.72 0.00 0.00 177.10 173.56 3irh n ASP 97 N 6.49 0.00 0.30 -4.21 4.64 -1.26 -1.86 116.55 120.65 3irh n ASP 97 Ca -0.01 -0.03 0.20 0.00 -1.38 0.00 0.00 54.79 53.57 3irh n ASP 97 Cb 0.48 -0.27 0.93 0.00 -1.04 0.00 0.00 41.12 41.21 3irh n ASP 97 CO 0.00 0.00 0.00 -0.78 -0.82 0.00 0.00 177.20 175.60 3irh h ASP 98 N 0.00 0.00 0.09 1.67 3.58 -2.04 -2.90 116.42 116.82 3irh h ASP 98 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3irh h ASP 98 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 3irh h ASP 98 CO 0.00 0.01 0.00 -0.62 -2.88 0.00 0.00 179.24 175.75 3irh n GLU 99 N -3.11 0.87 0.12 0.28 -0.58 -0.78 -4.37 120.64 113.08 3irh n GLU 99 Ca -0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.60 3irh n GLU 99 Cb 0.20 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.49 3irh n GLU 99 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3irh h ARG 100 N 0.00 -0.28 -0.62 3.49 2.43 -1.72 -1.85 114.38 115.84 3irh h ARG 100 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3irh h ARG 100 Cb 0.04 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3irh h ARG 100 CO 0.00 -0.02 0.37 1.25 -1.51 0.00 0.00 179.97 180.07 3irh h LEU 101 N -0.52 0.61 -0.58 3.80 5.85 -1.84 0.20 115.31 122.82 3irh h LEU 101 Ca -0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3irh h LEU 101 Cb 0.39 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3irh h LEU 101 CO 0.05 0.42 0.06 -0.29 -0.34 0.00 0.00 178.44 178.34 3irh h ILE 102 N 0.73 1.26 -0.69 4.05 2.10 -1.84 0.85 117.51 123.98 3irh h ILE 102 Ca 0.25 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 65.15 3irh h ILE 102 Cb 0.03 0.80 -0.03 0.00 -1.09 0.00 0.00 36.82 36.53 3irh h ILE 102 CO -0.11 0.38 0.43 0.74 -1.08 0.00 0.00 178.15 178.51 3irh h THR 103 N 0.88 1.19 -0.28 2.19 2.02 -0.89 -0.68 112.91 117.33 3irh h THR 103 Ca 0.17 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3irh h THR 103 Cb 0.47 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3irh h THR 103 CO 0.02 0.19 0.07 -0.07 0.37 0.00 0.00 175.52 176.10 3irh h LEU 104 N 0.93 0.42 -0.27 2.58 3.38 -0.13 -1.50 115.31 120.72 3irh h LEU 104 Ca 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3irh h LEU 104 Cb -0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3irh h LEU 104 CO -0.05 0.54 0.15 0.00 0.09 0.00 0.00 178.44 179.17 3irh h ALA 106 N 1.03 0.80 -0.40 0.00 0.00 -1.10 -1.09 119.26 118.50 3irh h ALA 106 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3irh h ALA 106 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3irh h ALA 106 CO -0.02 0.18 0.26 0.00 0.00 0.00 0.00 179.25 179.68 3irh h ALA 107 N 1.25 0.51 -0.24 0.00 0.00 -1.11 -0.70 119.26 118.97 3irh h ALA 107 Ca 0.24 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3irh h ALA 107 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3irh h ALA 107 CO -0.08 -0.02 -0.24 1.25 0.00 0.00 0.00 179.25 180.16 3irh h LEU 108 N 0.54 0.45 -1.14 0.00 5.85 -1.03 -3.25 115.31 116.74 3irh h LEU 108 Ca 0.15 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3irh h LEU 108 Cb -0.05 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3irh h LEU 108 CO -0.03 0.69 -0.36 0.18 -0.34 0.00 0.00 178.44 178.58 3irh n LEU 109 N -4.14 2.13 -0.05 2.25 4.77 -0.43 -4.56 117.00 116.97 3irh n LEU 109 Ca -0.00 -0.76 0.19 0.00 -0.03 0.00 0.00 56.01 55.41 3irh n LEU 109 Cb 0.39 -0.01 0.64 0.00 -2.33 0.00 0.00 43.42 42.11 3irh n LEU 109 CO 0.41 0.38 1.19 1.12 -1.33 0.00 0.00 177.39 179.17 3irh h HIS 110 N 2.78 0.14 -0.39 -1.77 2.07 -1.16 -1.99 115.15 114.84 3irh h HIS 110 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3irh h HIS 110 Cb 0.78 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.72 3irh h HIS 110 CO 0.00 0.05 0.00 -0.25 -3.07 0.00 0.00 177.93 174.66 3irh n ASP 111 N -4.40 3.15 0.09 3.10 8.00 -1.26 -4.68 116.55 120.54 3irh n ASP 111 Ca 0.11 -2.09 0.08 0.00 0.71 0.00 0.00 54.79 53.60 3irh n ASP 111 Cb 0.60 -0.29 0.54 0.00 -0.02 0.00 0.00 41.12 41.95 3irh n ASP 111 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3irh h VAL 112 N 2.28 1.00 0.00 2.53 3.04 -1.65 -1.64 116.25 121.80 3irh h VAL 112 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3irh h VAL 112 Cb 0.83 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3irh h VAL 112 CO 0.02 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.24 3irh n GLY 113 N -1.52 -0.88 3.73 3.17 0.00 -1.26 -4.83 105.19 103.60 3irh n GLY 113 Ca 0.02 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3irh n GLY 113 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3irh s HIS 114 N -2.12 3.22 0.17 1.61 3.76 -0.62 -4.50 115.29 116.81 3irh s HIS 114 Ca 0.36 1.05 0.02 0.00 -0.15 0.00 0.00 55.06 56.34 3irh s HIS 114 Cb 0.18 -3.67 0.02 0.00 1.11 0.00 0.00 32.58 30.22 3irh s HIS 114 CO 0.32 -2.26 0.19 0.41 -0.85 0.00 0.00 174.74 172.55 3irh n GLY 115 N 2.93 2.39 3.77 -2.22 0.00 -1.26 -5.03 105.19 105.77 3irh n GLY 115 Ca 0.09 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 3irh n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3irh s PRO 116 N -2.73 3.80 -1.12 1.61 0.04 -1.26 -3.83 135.00 131.52 3irh s PRO 116 Ca 0.14 2.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 3irh s PRO 116 Cb -0.01 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.99 3irh s PRO 116 CO 0.09 -0.58 0.67 0.66 0.04 0.00 0.00 177.00 177.87 3irh n TYR 117 N -0.23 -1.56 -0.14 0.56 4.02 -1.26 -4.62 117.16 113.94 3irh n TYR 117 Ca 0.06 0.26 -0.04 0.00 -0.01 0.00 0.00 57.90 58.17 3irh n TYR 117 Cb 0.46 -2.79 0.05 0.00 -0.02 0.00 0.00 39.34 37.03 3irh n TYR 117 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3irh h SER 118 N -2.05 0.01 -0.55 7.72 0.02 -1.95 -1.62 113.55 115.13 3irh h SER 118 Ca -0.70 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3irh h SER 118 Cb 1.40 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 64.02 3irh h SER 118 CO 0.48 0.04 0.34 0.45 -1.14 0.00 0.00 176.83 177.00 3irh h HIS 119 N 0.22 0.71 -0.06 3.45 3.86 -1.91 -2.01 115.15 119.42 3irh h HIS 119 Ca 0.22 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3irh h HIS 119 Cb 0.27 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3irh h HIS 119 CO -0.21 0.48 -0.13 1.15 0.86 0.00 0.00 177.93 180.07 3irh h THR 120 N 0.74 1.43 -0.47 2.45 2.02 -1.83 -2.51 112.91 114.74 3irh h THR 120 Ca 0.20 -1.48 0.07 0.00 0.77 0.00 0.00 66.41 65.97 3irh h THR 120 Cb -0.04 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 3irh h THR 120 CO -0.04 0.41 0.13 0.15 0.37 0.00 0.00 175.52 176.54 3irh h PHE 121 N -0.32 0.21 0.00 3.16 3.57 -1.26 -1.79 116.94 120.51 3irh h PHE 121 Ca -0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3irh h PHE 121 Cb 0.73 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3irh h PHE 121 CO 0.12 0.04 -0.30 0.93 -2.23 0.00 0.00 178.31 176.88 3irh h GLU 122 N 0.28 0.00 -0.27 1.11 5.08 -1.40 0.34 114.58 119.71 3irh h GLU 122 Ca 0.23 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 3irh h GLU 122 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3irh h GLU 122 CO -0.27 0.30 -0.34 1.25 -1.00 0.00 0.00 179.01 178.95 3irh h HIS 123 N 0.00 0.87 0.10 4.33 2.76 -0.88 -1.72 115.15 120.61 3irh h HIS 123 Ca -0.00 -0.28 -0.33 0.00 -2.20 0.00 0.00 60.37 57.56 3irh h HIS 123 Cb 0.77 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 3irh h HIS 123 CO 0.00 1.04 -1.80 0.82 -1.30 0.00 0.00 177.93 176.69 3irh h ILE 124 N 0.45 0.83 -0.00 6.26 1.08 -1.18 -3.39 117.51 121.57 3irh h ILE 124 Ca 0.04 -2.55 0.00 0.00 -0.39 0.00 0.00 64.86 61.96 3irh h ILE 124 Cb 0.92 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 3irh h ILE 124 CO 0.08 0.79 -0.55 0.49 -0.69 0.00 0.00 178.15 178.27 3irh n PHE 125 N -3.39 0.00 -3.28 1.37 0.99 0.12 -5.01 117.46 108.25 3irh n PHE 125 Ca -0.24 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.00 3irh n PHE 125 Cb 1.05 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 39.59 3irh n PHE 125 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3irh n ASP 126 N -0.92 -5.78 -4.92 4.37 -0.08 -0.65 -4.97 116.55 103.60 3irh n ASP 126 Ca 0.04 -0.40 -0.26 0.00 -1.51 0.00 0.00 54.79 52.66 3irh n ASP 126 Cb 0.25 -4.46 0.01 0.00 2.34 0.00 0.00 41.12 39.26 3irh n ASP 126 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3irh s THR 127 N -3.22 4.49 -0.24 5.18 -4.23 -1.25 -5.05 115.64 111.31 3irh s THR 127 Ca 0.43 -0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.80 3irh s THR 127 Cb -0.19 -3.70 0.08 0.00 1.34 0.00 0.00 72.50 70.03 3irh s THR 127 CO 0.53 -0.61 0.09 0.21 -0.54 0.00 0.00 174.62 174.31 3irh s ASN 128 N -4.16 3.13 0.50 3.99 3.84 -1.26 -4.68 114.94 116.30 3irh s ASN 128 Ca 0.48 -1.04 0.24 0.00 0.21 0.00 0.00 52.86 52.75 3irh s ASN 128 Cb -0.10 -0.45 1.33 0.00 -0.55 0.00 0.00 41.25 41.48 3irh s ASN 128 CO 0.42 -0.38 2.05 1.12 -2.79 0.00 0.00 177.10 177.52 3irh h HIS 129 N 8.33 0.00 -0.08 0.43 2.07 -1.98 -1.62 115.15 122.30 3irh h HIS 129 Ca -0.17 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.34 3irh h HIS 129 Cb 1.08 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.05 3irh h HIS 129 CO 0.26 0.14 -0.02 1.49 -3.07 0.00 0.00 177.93 176.73 3irh h GLU 130 N 0.00 0.16 -0.17 5.12 4.57 -1.94 0.17 114.58 122.49 3irh h GLU 130 Ca -0.00 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 3irh h GLU 130 Cb 0.34 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3irh h GLU 130 CO 0.02 0.47 -0.19 0.00 -1.18 0.00 0.00 179.01 178.12 3irh h ALA 131 N 0.68 1.35 -0.13 2.92 0.00 -1.82 -2.30 119.26 119.96 3irh h ALA 131 Ca 0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 3irh h ALA 131 Cb 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3irh h ALA 131 CO 0.01 0.44 -0.70 0.82 0.00 0.00 0.00 179.25 179.82 3irh h ILE 132 N 0.28 1.33 -0.38 0.00 2.04 -1.29 -0.28 117.51 119.20 3irh h ILE 132 Ca 0.05 -2.00 0.06 0.00 1.00 0.00 0.00 64.86 63.97 3irh h ILE 132 Cb 0.51 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 3irh h ILE 132 CO 0.03 0.62 0.05 0.74 0.00 0.00 0.00 178.15 179.59 3irh h THR 133 N 0.41 0.77 -0.65 -0.27 2.02 -0.69 0.22 112.91 114.72 3irh h THR 133 Ca -0.03 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 3irh h THR 133 Cb 1.29 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 3irh h THR 133 CO 0.13 0.03 0.12 0.58 0.37 0.00 0.00 175.52 176.75 3irh h VAL 134 N 0.16 1.26 -0.48 3.16 2.07 -1.35 -2.12 116.25 118.95 3irh h VAL 134 Ca 0.18 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.74 3irh h VAL 134 Cb 0.23 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3irh h VAL 134 CO -0.26 0.38 0.25 1.56 0.02 0.00 0.00 177.57 179.52 3irh h GLN 135 N 0.99 0.48 -0.54 1.57 4.20 -0.57 -2.15 115.11 119.10 3irh h GLN 135 Ca 0.20 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 3irh h GLN 135 Cb 0.42 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3irh h GLN 135 CO 0.01 0.32 0.18 0.82 -0.67 0.00 0.00 178.83 179.49 3irh h ILE 136 N 0.50 1.23 -0.31 2.54 2.04 -0.33 -0.61 117.51 122.57 3irh h ILE 136 Ca 0.21 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 3irh h ILE 136 Cb 0.10 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3irh h ILE 136 CO -0.14 0.29 -0.18 0.40 0.00 0.00 0.00 178.15 178.51 3irh h ILE 137 N 0.74 1.25 -0.15 -0.67 2.04 -1.32 -3.32 117.51 116.09 3irh h ILE 137 Ca 0.17 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3irh h ILE 137 Cb 0.26 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3irh h ILE 137 CO -0.01 0.38 0.00 0.35 0.00 0.00 0.00 178.15 178.88 3irh n THR 138 N -4.15 0.31 -3.62 -0.27 -2.24 -0.81 -4.25 114.28 99.25 3irh n THR 138 Ca 0.00 -0.65 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 3irh n THR 138 Cb 0.37 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 3irh n THR 138 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3irh s SER 139 N -1.12 5.98 0.65 3.42 0.01 -0.25 -4.98 113.70 117.42 3irh s SER 139 Ca 0.21 0.00 0.30 0.00 1.31 0.00 0.00 55.95 57.76 3irh s SER 139 Cb 0.13 -2.10 1.62 0.00 0.21 0.00 0.00 66.02 65.87 3irh s SER 139 CO 0.18 -0.03 1.91 1.55 0.41 0.00 0.00 173.24 177.27 3irh h PRO 140 N 8.20 0.00 0.00 12.44 0.13 -1.91 -1.63 132.00 149.23 3irh h PRO 140 Ca -0.36 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.70 3irh h PRO 140 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3irh h PRO 140 CO 0.57 0.00 -0.35 1.05 -0.23 0.00 0.00 178.00 179.04 3irh h GLU 141 N 0.00 0.00 -6.89 0.86 4.11 -1.94 -3.42 114.58 107.29 3irh h GLU 141 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.96 3irh h GLU 141 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3irh h GLU 141 CO 0.00 0.35 0.24 0.95 0.07 0.00 0.00 179.01 180.63 3irh s THR 142 N -3.63 4.47 0.32 -1.06 -4.23 -0.61 -4.97 115.64 105.93 3irh s THR 142 Ca 0.00 1.34 0.10 0.00 -1.18 0.00 0.00 61.69 61.96 3irh s THR 142 Cb 0.11 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.31 3irh s THR 142 CO 0.68 -0.18 1.72 -0.08 -0.54 0.00 0.00 174.62 176.22 3irh h GLU 143 N 2.29 0.06 -0.25 3.99 4.81 -1.88 -2.70 114.58 120.91 3irh h GLU 143 Ca -0.48 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3irh h GLU 143 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3irh h GLU 143 CO 0.63 0.52 0.04 0.28 -0.73 0.00 0.00 179.01 179.75 3irh h VAL 144 N 0.05 0.87 0.02 0.32 2.07 -1.93 -1.41 116.25 116.24 3irh h VAL 144 Ca 0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3irh h VAL 144 Cb 0.85 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3irh h VAL 144 CO 0.06 0.02 -0.01 0.22 0.02 0.00 0.00 177.57 177.89 3irh h TYR 145 N 0.14 -0.02 -0.96 1.57 3.20 -1.65 -1.73 116.97 117.51 3irh h TYR 145 Ca 0.12 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.23 3irh h TYR 145 Cb 0.12 0.01 -0.13 0.00 1.54 0.00 0.00 36.73 38.28 3irh h TYR 145 CO -0.16 0.19 0.51 1.96 -1.64 0.00 0.00 178.16 179.02 3irh h GLN 146 N -0.24 0.47 -0.24 1.82 4.20 -1.37 0.13 115.11 119.88 3irh h GLN 146 Ca -0.00 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3irh h GLN 146 Cb 0.23 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3irh h GLN 146 CO 0.00 0.31 -0.06 0.82 -0.67 0.00 0.00 178.83 179.24 3irh h ILE 147 N 0.49 1.28 -0.14 2.54 2.04 -0.94 -3.13 117.51 119.65 3irh h ILE 147 Ca 0.62 -1.06 -0.20 0.00 1.00 0.00 0.00 64.86 65.22 3irh h ILE 147 Cb 1.20 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3irh h ILE 147 CO -0.51 0.33 -0.71 -0.07 0.00 0.00 0.00 178.15 177.19 3irh h LEU 148 N 0.21 0.73 -1.94 1.44 3.38 -0.34 -3.01 115.31 115.79 3irh h LEU 148 Ca 0.06 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.65 3irh h LEU 148 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3irh h LEU 148 CO 0.02 1.22 0.22 -1.13 0.09 0.00 0.00 178.44 178.87 3irh h ASN 149 N 0.44 0.07 1.20 -0.43 -1.24 -0.88 -1.43 115.58 113.31 3irh h ASN 149 Ca -0.03 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.94 3irh h ASN 149 Cb 1.30 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.33 3irh h ASN 149 CO 0.14 0.04 -0.20 -0.09 -1.29 0.00 0.00 177.43 176.03 3irh h ARG 150 N 0.08 0.00 -0.04 6.67 2.43 -1.47 -3.07 114.38 118.98 3irh h ARG 150 Ca 0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3irh h ARG 150 Cb 0.48 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3irh h ARG 150 CO -0.01 0.20 -0.01 0.28 -1.51 0.00 0.00 179.97 178.92 3irh h VAL 151 N 0.00 1.29 -1.51 0.20 2.07 -1.28 -3.44 116.25 113.58 3irh h VAL 151 Ca -0.00 -0.88 0.16 0.00 0.82 0.00 0.00 66.70 66.80 3irh h VAL 151 Cb 0.86 1.80 -0.22 0.00 -1.52 0.00 0.00 31.29 32.21 3irh h VAL 151 CO 0.03 0.24 0.70 -0.94 0.02 0.00 0.00 177.57 177.61 3irh s SER 152 N -5.64 -0.23 0.40 0.57 1.04 -1.16 -4.65 113.70 104.03 3irh s SER 152 Ca -0.15 0.17 0.10 0.00 0.48 0.00 0.00 55.95 56.55 3irh s SER 152 Cb 0.04 0.21 0.89 0.00 0.10 0.00 0.00 66.02 67.26 3irh s SER 152 CO 0.69 -0.28 1.97 0.00 0.98 0.00 0.00 173.24 176.60 3irh h ALA 153 N 2.23 1.86 -0.42 5.32 0.00 -1.84 -0.64 119.26 125.78 3irh h ALA 153 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3irh h ALA 153 Cb 1.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3irh h ALA 153 CO 0.27 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 3irh n ASP 154 N -4.48 2.61 0.07 0.00 8.00 -1.26 -4.45 116.55 117.04 3irh n ASP 154 Ca 0.10 -2.10 -0.21 0.00 0.71 0.00 0.00 54.79 53.28 3irh n ASP 154 Cb 0.29 -0.35 -0.13 0.00 -0.02 0.00 0.00 41.12 40.91 3irh n ASP 154 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3irh h PHE 155 N 2.51 0.93 -0.67 1.24 3.57 -1.36 -3.05 116.94 120.12 3irh h PHE 155 Ca 0.00 -0.58 0.08 0.00 3.53 0.00 0.00 57.97 61.00 3irh h PHE 155 Cb 0.73 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 3irh h PHE 155 CO 0.36 1.42 0.34 -1.35 -2.23 0.00 0.00 178.31 176.85 3irh h PRO 156 N 0.18 0.59 -0.43 6.41 0.11 -1.77 -1.22 132.00 135.87 3irh h PRO 156 Ca -0.17 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.81 3irh h PRO 156 Cb 1.81 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.77 3irh h PRO 156 CO 0.21 0.39 -0.11 0.93 -0.21 0.00 0.00 178.00 179.21 3irh h GLU 157 N 0.60 0.78 -0.29 1.05 4.39 -1.87 -0.96 114.58 118.28 3irh h GLU 157 Ca 0.32 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3irh h GLU 157 Cb 0.29 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3irh h GLU 157 CO -0.24 0.86 0.13 0.87 -1.16 0.00 0.00 179.01 179.47 3irh h LYS 158 N 0.70 0.43 -0.58 2.33 1.57 -1.36 0.25 116.57 119.91 3irh h LYS 158 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3irh h LYS 158 Cb 0.59 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3irh h LYS 158 CO 0.04 0.42 0.38 0.28 -0.57 0.00 0.00 179.45 180.00 3irh h VAL 159 N 0.33 1.16 -0.96 0.50 2.07 -1.09 -2.10 116.25 116.16 3irh h VAL 159 Ca 0.10 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3irh h VAL 159 Cb 0.14 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3irh h VAL 159 CO -0.01 0.15 0.61 0.00 0.02 0.00 0.00 177.57 178.34 3irh h ALA 160 N 1.20 1.27 0.00 1.67 0.00 -1.01 -2.57 119.26 119.82 3irh h ALA 160 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3irh h ALA 160 Cb -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.33 3irh h ALA 160 CO -0.04 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.52 3irh h SER 161 N 1.31 0.00 -0.05 0.00 4.64 -0.27 -0.97 113.55 118.21 3irh h SER 161 Ca 0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.63 3irh h SER 161 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3irh h SER 161 CO -0.07 0.00 -0.09 0.58 -0.87 0.00 0.00 176.83 176.38 3irh h VAL 162 N 0.00 1.42 -0.65 0.95 2.07 -1.07 0.53 116.25 119.49 3irh h VAL 162 Ca 0.00 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 3irh h VAL 162 Cb 0.33 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3irh h VAL 162 CO 0.00 0.38 0.20 0.40 0.02 0.00 0.00 177.57 178.56 3irh h ILE 163 N -0.34 1.25 0.00 4.57 2.04 -1.41 -1.76 117.51 121.86 3irh h ILE 163 Ca 0.00 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3irh h ILE 163 Cb 0.66 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3irh h ILE 163 CO 0.02 0.33 0.00 0.35 0.00 0.00 0.00 178.15 178.85 3irh n THR 164 N -4.34 0.00 -2.14 -0.27 -2.24 -0.41 -4.89 114.28 99.99 3irh n THR 164 Ca 0.04 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.64 3irh n THR 164 Cb 0.22 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 3irh n THR 164 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3irh n LYS 165 N -0.94 -1.39 0.00 -0.78 5.02 -0.66 -4.88 118.16 114.54 3irh n LYS 165 Ca 0.19 0.93 0.09 0.00 -2.02 0.00 0.00 58.31 57.50 3irh n LYS 165 Cb 0.09 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 29.73 3irh n LYS 165 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3irh n GLN 166 N -2.66 1.57 -2.02 1.97 6.02 0.16 -4.96 117.38 117.45 3irh n GLN 166 Ca -0.20 -0.90 -0.42 0.00 -0.01 0.00 0.00 57.00 55.47 3irh n GLN 166 Cb 0.64 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.55 3irh n GLN 166 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3irh s TYR 167 N -2.01 3.12 -1.64 1.08 5.04 0.06 -4.91 117.35 118.09 3irh s TYR 167 Ca 0.15 0.77 0.08 0.00 -2.44 0.00 0.00 57.07 55.63 3irh s TYR 167 Cb 0.14 -3.84 0.45 0.00 0.35 0.00 0.00 41.96 39.06 3irh s TYR 167 CO 0.43 -3.01 1.07 -0.35 -1.34 0.00 0.00 175.55 172.35 3irh n PRO 168 N 3.84 0.17 -3.52 4.97 -0.04 -1.26 -4.52 135.00 134.65 3irh n PRO 168 Ca 0.13 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 3irh n PRO 168 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 3irh n PRO 168 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3irh s ASN 169 N -2.36 5.98 0.32 3.54 3.84 -1.26 -4.96 114.94 120.04 3irh s ASN 169 Ca 0.10 -0.81 0.08 0.00 0.21 0.00 0.00 52.86 52.44 3irh s ASN 169 Cb 0.06 -2.12 0.54 0.00 -0.55 0.00 0.00 41.25 39.18 3irh s ASN 169 CO 0.11 -0.38 1.75 -0.65 -2.79 0.00 0.00 177.10 175.15 3irh h PRO 170 N 8.54 0.20 -0.90 0.43 0.11 -1.86 -1.66 132.00 136.86 3irh h PRO 170 Ca -0.28 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 3irh h PRO 170 Cb 1.13 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3irh h PRO 170 CO 0.69 0.54 0.56 1.96 -0.21 0.00 0.00 178.00 181.54 3irh h GLN 171 N 0.17 1.21 -0.07 1.05 4.20 -1.85 0.24 115.11 120.07 3irh h GLN 171 Ca 0.02 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3irh h GLN 171 Cb 0.73 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3irh h GLN 171 CO 0.06 0.83 -0.18 0.28 -0.67 0.00 0.00 178.83 179.14 3irh h VAL 172 N 1.23 1.43 -0.69 -0.54 2.07 -1.84 -2.39 116.25 115.52 3irh h VAL 172 Ca 0.33 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.34 3irh h VAL 172 Cb -0.08 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3irh h VAL 172 CO -0.06 0.43 0.42 0.58 0.02 0.00 0.00 177.57 178.96 3irh h VAL 173 N -0.27 1.05 0.00 2.57 2.07 -1.15 -2.99 116.25 117.54 3irh h VAL 173 Ca -0.00 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 3irh h VAL 173 Cb 0.80 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3irh h VAL 173 CO 0.04 0.15 -0.41 1.56 0.02 0.00 0.00 177.57 178.93 3irh h GLN 174 N 0.80 0.00 -0.56 1.57 4.20 -0.99 0.57 115.11 120.70 3irh h GLN 174 Ca 0.29 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 3irh h GLN 174 Cb 0.08 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3irh h GLN 174 CO -0.13 0.41 0.15 1.98 -0.67 0.00 0.00 178.83 180.57 3irh h MET 175 N 0.00 0.85 0.13 1.46 4.05 -1.31 -3.21 114.93 116.91 3irh h MET 175 Ca -0.00 -0.17 -0.26 0.00 -0.28 0.00 0.00 59.70 58.99 3irh h MET 175 Cb 1.29 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 31.96 3irh h MET 175 CO 0.05 0.75 -1.26 0.82 0.23 0.00 0.00 176.91 177.51 3irh h ILE 176 N 0.82 1.18 -2.37 1.77 1.08 -1.38 -3.08 117.51 115.53 3irh h ILE 176 Ca 0.18 -2.46 -0.36 0.00 -0.39 0.00 0.00 64.86 61.83 3irh h ILE 176 Cb 0.27 2.88 -0.35 0.00 -3.07 0.00 0.00 36.82 36.55 3irh h ILE 176 CO -0.00 0.72 -0.66 -0.55 -0.69 0.00 0.00 178.15 176.97 3irh s SER 177 N -7.06 1.95 0.06 1.72 0.15 0.18 -4.53 113.70 106.16 3irh s SER 177 Ca -0.17 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 55.73 3irh s SER 177 Cb 0.03 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 3irh s SER 177 CO 0.80 -0.38 0.20 -1.54 1.20 0.00 0.00 173.24 173.52 3irh n SER 178 N 5.30 -0.41 -0.05 5.45 3.41 -1.24 -4.33 113.62 121.75 3irh n SER 178 Ca -0.04 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 3irh n SER 178 Cb 0.46 0.68 0.30 0.00 -0.26 0.00 0.00 64.21 65.39 3irh n SER 178 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3irh h GLN 179 N 0.00 0.65 -2.96 4.33 1.08 -1.90 -3.31 115.11 113.00 3irh h GLN 179 Ca -0.06 -0.10 -0.61 0.00 -1.45 0.00 0.00 58.65 56.42 3irh h GLN 179 Cb 0.26 -0.12 -0.40 0.00 -0.05 0.00 0.00 27.48 27.17 3irh h GLN 179 CO 0.08 0.56 -0.72 0.42 -0.95 0.00 0.00 178.83 178.22 3irh s ILE 180 N -5.25 1.78 0.40 2.54 1.01 -1.26 -4.99 121.20 115.42 3irh s ILE 180 Ca -0.09 -3.13 0.05 0.00 0.00 0.00 0.00 60.65 57.49 3irh s ILE 180 Cb 0.16 -2.21 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 3irh s ILE 180 CO 0.77 -0.97 0.03 1.51 0.00 0.00 0.00 174.94 176.28 3irh s ASP 181 N -0.26 3.40 0.39 3.58 3.84 -1.25 -4.98 116.67 121.39 3irh s ASP 181 Ca 0.22 -1.43 0.06 0.00 -0.00 0.00 0.00 52.55 51.40 3irh s ASP 181 Cb -0.15 -0.13 0.79 0.00 -1.38 0.00 0.00 42.92 42.06 3irh s ASP 181 CO -0.08 -0.58 2.02 0.00 -0.00 0.00 0.00 175.17 176.53 3irh h ALA 182 N 1.82 1.70 0.50 2.11 0.00 -1.81 -1.66 119.26 121.91 3irh h ALA 182 Ca -0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3irh h ALA 182 Cb 1.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3irh h ALA 182 CO 0.75 0.25 -0.35 0.22 0.00 0.00 0.00 179.25 180.12 3irh h ASP 183 N 0.66 -0.92 0.10 0.00 3.58 -1.82 -0.61 116.42 117.42 3irh h ASP 183 Ca 0.22 0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.60 3irh h ASP 183 Cb 0.05 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 3irh h ASP 183 CO -0.06 -0.53 -0.47 0.03 -2.88 0.00 0.00 179.24 175.33 3irh h ARG 184 N -0.83 0.43 -0.44 0.28 3.08 -1.88 -2.37 114.38 112.65 3irh h ARG 184 Ca -0.05 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.64 3irh h ARG 184 Cb 0.70 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3irh h ARG 184 CO 0.02 0.81 -0.21 0.52 -1.07 0.00 0.00 179.97 180.04 3irh h MET 185 N 0.35 0.89 -0.07 0.04 2.86 -1.19 -1.99 114.93 115.82 3irh h MET 185 Ca 0.02 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 3irh h MET 185 Cb 0.96 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 3irh h MET 185 CO 0.08 1.02 -0.04 0.22 1.06 0.00 0.00 176.91 179.25 3irh h ASP 186 N 0.78 0.15 0.11 1.22 1.82 -0.97 -2.43 116.42 117.09 3irh h ASP 186 Ca 0.10 -0.43 -0.12 0.00 -0.39 0.00 0.00 57.03 56.20 3irh h ASP 186 Cb 0.76 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 3irh h ASP 186 CO 0.06 0.55 -0.40 0.10 -1.61 0.00 0.00 179.24 177.94 3irh h TYR 187 N -0.25 0.45 -0.62 0.28 -0.00 -1.39 0.36 116.97 115.81 3irh h TYR 187 Ca 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 58.73 58.59 3irh h TYR 187 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 36.73 37.10 3irh h TYR 187 CO 0.07 0.73 0.29 -0.07 -0.00 0.00 0.00 178.16 179.18 3irh h LEU 188 N 0.32 0.82 -0.17 0.10 3.38 -1.43 0.29 115.31 118.62 3irh h LEU 188 Ca 0.03 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3irh h LEU 188 Cb 0.85 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3irh h LEU 188 CO 0.07 0.73 -0.22 -0.07 0.09 0.00 0.00 178.44 179.04 3irh h LEU 189 N 0.85 0.50 -0.15 1.67 3.38 -0.91 -2.21 115.31 118.44 3irh h LEU 189 Ca 0.21 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3irh h LEU 189 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3irh h LEU 189 CO -0.02 0.90 0.01 -0.09 0.09 0.00 0.00 178.44 179.33 3irh h ARG 190 N 0.10 0.26 -0.72 1.13 2.43 -0.25 -2.18 114.38 115.15 3irh h ARG 190 Ca 0.02 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3irh h ARG 190 Cb 0.78 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3irh h ARG 190 CO 0.05 0.47 0.28 -0.44 -1.51 0.00 0.00 179.97 178.82 3irh h ASP 191 N 0.01 1.00 -0.18 -3.80 3.32 -0.50 -1.76 116.42 114.51 3irh h ASP 191 Ca 0.04 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.96 3irh h ASP 191 Cb 0.35 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3irh h ASP 191 CO 0.01 0.91 -0.08 0.00 -1.72 0.00 0.00 179.24 178.35 3irh h ALA 192 N 1.13 0.07 -0.78 3.45 0.00 -1.37 -0.40 119.26 121.36 3irh h ALA 192 Ca 0.24 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3irh h ALA 192 Cb 0.23 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3irh h ALA 192 CO -0.02 -0.51 0.46 -0.92 0.00 0.00 0.00 179.25 178.26 3irh h TYR 193 N -0.06 1.03 0.14 0.00 3.20 -1.06 -0.25 116.97 119.96 3irh h TYR 193 Ca 0.10 -0.01 -0.31 0.00 3.14 0.00 0.00 58.73 61.66 3irh h TYR 193 Cb 0.21 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3irh h TYR 193 CO -0.23 0.70 -1.48 0.74 -1.64 0.00 0.00 178.16 176.24 3irh h PHE 194 N 1.07 0.54 0.00 -3.82 -1.00 -1.29 -3.28 116.94 109.16 3irh h PHE 194 Ca 0.28 -0.40 -0.09 0.00 2.81 0.00 0.00 57.97 60.58 3irh h PHE 194 Cb -0.03 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 3irh h PHE 194 CO -0.01 1.41 -0.41 1.79 -1.61 0.00 0.00 178.31 179.48 3irh h THR 195 N 0.08 1.28 0.00 -1.55 1.35 -1.06 -3.18 112.91 109.84 3irh h THR 195 Ca -0.23 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 3irh h THR 195 Cb 2.03 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 3irh h THR 195 CO 0.18 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 3irh n GLY 196 N -0.34 0.84 3.23 5.82 0.00 -0.13 -4.76 105.19 109.86 3irh n GLY 196 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3irh n GLY 196 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3irh n THR 197 N -2.27 4.18 -1.86 2.61 -1.04 -1.09 -4.86 114.28 109.96 3irh n THR 197 Ca 0.00 -4.41 -0.35 0.00 -2.04 0.00 0.00 64.05 57.24 3irh n THR 197 Cb 0.00 -2.43 -0.02 0.00 -1.82 0.00 0.00 70.33 66.06 3irh n THR 197 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3irh n GLU 198 N 5.46 3.83 -0.08 -2.82 1.02 -1.26 -3.59 120.64 123.20 3irh n GLU 198 Ca 0.41 -3.15 -0.19 0.00 -0.02 0.00 0.00 57.16 54.20 3irh n GLU 198 Cb 0.41 -2.44 -0.13 0.00 -0.02 0.00 0.00 31.44 29.26 3irh n GLU 198 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3irh n TYR 199 N 1.23 0.43 0.68 -0.32 0.53 -1.26 -4.39 117.16 114.05 3irh n TYR 199 Ca 0.56 0.09 0.00 0.00 -1.02 0.00 0.00 57.90 57.54 3irh n TYR 199 Cb 0.35 -1.06 0.00 0.00 -1.03 0.00 0.00 39.34 37.61 3irh n TYR 199 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3irh n GLY 200 N 2.16 1.63 3.20 2.72 0.00 -1.24 -4.50 105.19 109.16 3irh n GLY 200 Ca -0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3irh n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3irh s THR 201 N 0.23 4.34 1.00 2.61 -4.23 -1.26 -4.23 115.64 114.09 3irh s THR 201 Ca 0.00 -2.33 -0.17 0.00 -1.18 0.00 0.00 61.69 58.01 3irh s THR 201 Cb 0.00 -3.80 0.23 0.00 1.34 0.00 0.00 72.50 70.27 3irh s THR 201 CO 0.00 -0.86 1.31 2.22 -0.54 0.00 0.00 174.62 176.74 3irh n PHE 202 N 4.23 -3.99 -3.61 3.99 1.16 -1.26 -5.03 117.46 112.95 3irh n PHE 202 Ca 0.02 -1.15 -0.40 0.00 -1.87 0.00 0.00 57.45 54.05 3irh n PHE 202 Cb 0.41 -1.04 -0.11 0.00 -1.61 0.00 0.00 39.48 37.13 3irh n PHE 202 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3irh s ASP 203 N -5.72 5.71 0.12 5.98 2.15 -1.26 -4.96 116.67 118.69 3irh s ASP 203 Ca 0.75 -0.82 -0.19 0.00 0.43 0.00 0.00 52.55 52.71 3irh s ASP 203 Cb -0.02 -2.03 -0.06 0.00 -0.30 0.00 0.00 42.92 40.51 3irh s ASP 203 CO 0.53 -0.33 1.76 0.25 -0.17 0.00 0.00 175.17 177.21 3irh h LEU 204 N 8.42 0.28 -2.00 -1.34 5.85 -1.99 -2.80 115.31 121.73 3irh h LEU 204 Ca -0.28 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3irh h LEU 204 Cb 1.12 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3irh h LEU 204 CO 0.65 0.23 -0.01 0.71 -0.34 0.00 0.00 178.44 179.69 3irh h THR 205 N 0.30 0.99 -0.16 1.05 1.35 -1.98 -0.20 112.91 114.26 3irh h THR 205 Ca 0.08 -0.02 -0.09 0.00 -0.55 0.00 0.00 66.41 65.83 3irh h THR 205 Cb -0.00 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3irh h THR 205 CO -0.02 0.01 -0.27 -0.09 -0.25 0.00 0.00 175.52 174.90 3irh h ARG 206 N 0.00 0.47 -0.94 4.72 9.65 -1.93 -2.67 114.38 123.68 3irh h ARG 206 Ca -0.00 -0.29 0.02 0.00 -1.10 0.00 0.00 59.98 58.61 3irh h ARG 206 Cb 0.01 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 3irh h ARG 206 CO 0.00 0.88 0.62 0.82 2.80 0.00 0.00 179.97 185.09 3irh h ILE 207 N 0.10 1.22 0.00 1.20 1.08 -1.19 -2.02 117.51 117.90 3irh h ILE 207 Ca 0.01 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 3irh h ILE 207 Cb 0.85 -0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 3irh h ILE 207 CO 0.06 0.23 0.00 -0.07 -0.69 0.00 0.00 178.15 177.68 3irh h LEU 208 N 1.25 0.00 -0.28 1.44 3.38 -0.95 -1.17 115.31 118.97 3irh h LEU 208 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3irh h LEU 208 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3irh h LEU 208 CO -0.09 0.00 -0.27 0.54 0.09 0.00 0.00 178.44 178.71 3irh n ARG 209 N -2.85 0.54 -0.00 1.13 5.12 -0.77 -4.21 116.66 115.63 3irh n ARG 209 Ca 0.00 -0.28 0.02 0.00 -1.93 0.00 0.00 57.85 55.66 3irh n ARG 209 Cb 0.23 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 3irh n ARG 209 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3irh n VAL 210 N -0.98 0.00 -1.92 1.55 0.24 -0.55 -4.98 118.33 111.69 3irh n VAL 210 Ca 0.11 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.86 3irh n VAL 210 Cb 0.33 0.50 -0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3irh n VAL 210 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 3irh s ILE 211 N -2.13 2.32 -0.04 1.34 2.07 -0.57 -0.89 121.20 123.31 3irh s ILE 211 Ca -0.01 0.31 -0.05 0.00 -1.41 0.00 0.00 60.65 59.48 3irh s ILE 211 Cb 0.03 -3.19 0.01 0.00 0.13 0.00 0.00 42.46 39.44 3irh s ILE 211 CO 0.16 0.06 0.14 -0.13 -1.91 0.00 0.00 174.94 173.26 3irh s ARG 212 N -2.15 0.25 0.56 3.50 3.00 0.38 -4.89 118.95 119.59 3irh s ARG 212 Ca 0.55 0.03 -0.05 0.00 0.00 0.00 0.00 55.73 56.26 3irh s ARG 212 Cb -0.43 0.11 0.00 0.00 0.00 0.00 0.00 34.95 34.64 3irh s ARG 212 CO 0.56 -0.04 0.85 -1.25 0.00 0.00 0.00 175.30 175.42 3irh s PRO 213 N -0.33 3.01 0.37 3.54 0.04 -1.26 -0.71 135.00 139.66 3irh s PRO 213 Ca -0.04 -0.06 -0.10 0.00 0.04 0.00 0.00 61.00 60.84 3irh s PRO 213 Cb -0.03 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.22 3irh s PRO 213 CO 0.00 -0.58 0.66 1.52 0.04 0.00 0.00 177.00 178.65 3irh s TYR 214 N -2.90 0.54 0.40 0.56 -0.85 -0.71 -4.77 117.35 109.62 3irh s TYR 214 Ca 0.52 -1.03 0.10 0.00 -0.52 0.00 0.00 57.07 56.14 3irh s TYR 214 Cb -0.10 0.46 0.90 0.00 0.38 0.00 0.00 41.96 43.59 3irh s TYR 214 CO 0.44 -1.41 1.96 1.57 -1.52 0.00 0.00 175.55 176.59 3irh h LYS 215 N 2.04 0.55 -0.02 -3.49 2.10 -1.78 -2.75 116.57 113.22 3irh h LYS 215 Ca -0.31 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 3irh h LYS 215 Cb 1.25 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3irh h LYS 215 CO 0.40 0.37 -0.09 0.41 -2.00 0.00 0.00 179.45 178.54 3irh n GLY 216 N -1.48 0.46 0.00 0.07 0.00 -1.26 -4.78 105.19 98.20 3irh n GLY 216 Ca 0.11 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3irh n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3irh n GLY 217 N 1.31 0.20 3.34 -0.02 0.00 -1.04 -4.74 105.19 104.24 3irh n GLY 217 Ca 0.15 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 3irh n GLY 217 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irh s ILE 218 N 0.00 2.12 0.26 -0.61 1.01 -1.26 -1.74 121.20 120.98 3irh s ILE 218 Ca 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 60.65 59.32 3irh s ILE 218 Cb 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3irh s ILE 218 CO 0.00 0.41 0.23 0.00 0.00 0.00 0.00 174.94 175.57 3irh s ALA 219 N -0.77 1.31 -0.05 9.38 0.00 0.12 -4.59 121.76 127.15 3irh s ALA 219 Ca 0.11 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.31 3irh s ALA 219 Cb -0.10 1.39 0.02 0.00 0.00 0.00 0.00 23.12 24.43 3irh s ALA 219 CO 0.01 -0.64 -0.07 -0.06 0.00 0.00 0.00 175.76 175.00 3irh s PHE 220 N -3.82 0.99 0.43 0.00 0.40 -0.31 -0.47 117.98 115.20 3irh s PHE 220 Ca 0.38 -0.32 -0.23 0.00 -0.60 0.00 0.00 56.93 56.15 3irh s PHE 220 Cb 0.04 -0.81 -0.10 0.00 0.51 0.00 0.00 43.02 42.66 3irh s PHE 220 CO 0.18 -0.22 0.92 0.00 0.70 0.00 0.00 175.22 176.80 3irh n ALA 221 N 3.98 -0.13 -0.27 5.36 0.00 -0.07 -0.17 120.51 129.22 3irh n ALA 221 Ca -0.24 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 3irh n ALA 221 Cb 0.51 -2.03 0.09 0.00 0.00 0.00 0.00 19.45 18.02 3irh n ALA 221 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3irh h MET 222 N 1.32 1.15 0.00 0.00 4.05 -1.14 -1.47 114.93 118.83 3irh h MET 222 Ca -0.44 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 58.77 3irh h MET 222 Cb 1.35 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3irh h MET 222 CO 0.55 0.93 0.00 0.27 0.23 0.00 0.00 176.91 178.89 3irh n ASN 223 N -4.28 0.00 -1.14 1.39 6.94 -1.26 -2.06 115.26 114.85 3irh n ASN 223 Ca 0.07 0.11 0.08 0.00 -0.02 0.00 0.00 54.58 54.81 3irh n ASN 223 Cb 0.19 -0.27 0.28 0.00 -2.36 0.00 0.00 39.78 37.62 3irh n ASN 223 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3irh n GLY 224 N -0.38 3.27 0.27 4.83 0.00 -0.55 -4.73 105.19 107.90 3irh n GLY 224 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.27 3irh n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irh h MET 225 N 2.75 0.41 0.00 1.61 -0.00 -1.47 -1.47 114.93 116.76 3irh h MET 225 Ca 0.00 -0.07 -0.06 0.00 -0.00 0.00 0.00 59.70 59.57 3irh h MET 225 Cb 1.35 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.87 3irh h MET 225 CO 0.20 0.42 -0.28 0.45 -0.00 0.00 0.00 176.91 177.70 3irh h HIS 226 N 0.40 0.00 -0.16 -0.10 3.86 -1.85 -1.16 115.15 116.14 3irh h HIS 226 Ca 0.09 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.19 3irh h HIS 226 Cb 0.23 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3irh h HIS 226 CO 0.01 0.28 -0.39 0.00 0.86 0.00 0.00 177.93 178.69 3irh h ALA 227 N 1.72 1.03 -0.33 2.45 0.00 -1.63 -1.76 119.26 120.74 3irh h ALA 227 Ca -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3irh h ALA 227 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3irh h ALA 227 CO 0.04 0.60 -0.04 0.28 0.00 0.00 0.00 179.25 180.13 3irh h VAL 228 N 0.30 1.27 -0.54 0.00 2.07 -1.24 -2.76 116.25 115.34 3irh h VAL 228 Ca 0.03 -1.05 0.09 0.00 0.82 0.00 0.00 66.70 66.59 3irh h VAL 228 Cb 0.83 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 3irh h VAL 228 CO 0.07 0.34 0.13 -0.33 0.02 0.00 0.00 177.57 177.80 3irh h GLU 229 N 0.40 0.27 -0.58 1.57 5.08 -1.04 -1.61 114.58 118.66 3irh h GLU 229 Ca 0.09 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3irh h GLU 229 Cb 0.51 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 3irh h GLU 229 CO 0.02 0.18 0.23 -0.44 -1.00 0.00 0.00 179.01 178.00 3irh h ASP 230 N 0.27 0.25 -0.47 1.42 3.32 -1.23 0.43 116.42 120.41 3irh h ASP 230 Ca 0.28 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 3irh h ASP 230 Cb 0.37 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3irh h ASP 230 CO -0.34 0.15 0.12 0.22 -1.72 0.00 0.00 179.24 177.68 3irh h TYR 231 N 0.42 0.78 -0.85 4.55 3.20 -1.16 -0.83 116.97 123.08 3irh h TYR 231 Ca 0.29 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3irh h TYR 231 Cb 0.33 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3irh h TYR 231 CO -0.16 0.71 0.54 0.82 -1.64 0.00 0.00 178.16 178.43 3irh h ILE 232 N 0.63 1.23 -0.39 1.81 1.08 -0.61 -0.88 117.51 120.39 3irh h ILE 232 Ca 0.15 -0.46 -0.07 0.00 -0.39 0.00 0.00 64.86 64.09 3irh h ILE 232 Cb 0.31 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 3irh h ILE 232 CO -0.00 0.23 -0.03 0.58 -0.69 0.00 0.00 178.15 178.24 3irh h VAL 233 N 1.17 1.27 -0.58 1.67 2.07 -0.72 -2.20 116.25 118.93 3irh h VAL 233 Ca 0.31 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3irh h VAL 233 Cb -0.09 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3irh h VAL 233 CO -0.06 0.36 0.28 0.28 0.02 0.00 0.00 177.57 178.44 3irh h SER 234 N 0.52 0.75 -0.38 0.57 0.02 -0.86 -1.47 113.55 112.70 3irh h SER 234 Ca 0.11 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3irh h SER 234 Cb 0.52 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3irh h SER 234 CO 0.03 0.67 0.24 -0.09 -1.14 0.00 0.00 176.83 176.53 3irh h ARG 235 N 0.78 0.47 -0.40 3.45 2.43 -1.09 -1.16 114.38 118.85 3irh h ARG 235 Ca 0.20 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3irh h ARG 235 Cb 0.11 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3irh h ARG 235 CO -0.03 0.31 0.21 -0.92 -1.51 0.00 0.00 179.97 178.03 3irh h TYR 236 N 0.48 0.38 -0.47 2.20 3.20 -1.20 0.02 116.97 121.60 3irh h TYR 236 Ca 0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3irh h TYR 236 Cb -0.03 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3irh h TYR 236 CO -0.06 0.20 0.28 1.96 -1.64 0.00 0.00 178.16 178.90 3irh h GLN 237 N 0.42 0.64 -0.78 1.82 1.08 -1.03 -1.58 115.11 115.67 3irh h GLN 237 Ca 0.17 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.33 3irh h GLN 237 Cb 0.06 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 3irh h GLN 237 CO -0.11 0.47 0.50 0.52 -0.95 0.00 0.00 178.83 179.27 3irh h MET 238 N 0.62 0.97 -0.24 1.46 2.86 -0.91 0.15 114.93 119.84 3irh h MET 238 Ca 0.17 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3irh h MET 238 Cb 0.00 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 3irh h MET 238 CO -0.03 0.64 0.04 1.88 1.06 0.00 0.00 176.91 180.50 3irh h TYR 239 N 1.00 0.42 -0.31 -0.22 0.05 -0.73 -0.36 116.97 116.82 3irh h TYR 239 Ca 0.31 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.96 3irh h TYR 239 Cb -0.03 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3irh h TYR 239 CO -0.03 0.52 -0.08 0.28 -1.05 0.00 0.00 178.16 177.81 3irh h VAL 240 N 0.20 1.28 0.00 -2.88 2.07 -1.19 -1.51 116.25 114.21 3irh h VAL 240 Ca 0.07 -1.12 -0.28 0.00 0.82 0.00 0.00 66.70 66.19 3irh h VAL 240 Cb 0.33 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3irh h VAL 240 CO 0.01 0.36 -1.71 0.00 0.02 0.00 0.00 177.57 176.24 3irh n GLN 241 N -4.46 0.63 0.00 1.57 6.02 0.51 -4.53 117.38 117.13 3irh n GLN 241 Ca -0.03 0.27 -0.01 0.00 -0.01 0.00 0.00 57.00 57.22 3irh n GLN 241 Cb 0.33 -1.78 -0.00 0.00 1.02 0.00 0.00 30.24 29.80 3irh n GLN 241 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3irh n VAL 242 N -3.00 0.64 -0.07 5.09 0.31 -0.23 -4.61 118.33 116.44 3irh n VAL 242 Ca -0.17 0.24 0.03 0.00 -0.01 0.00 0.00 64.34 64.43 3irh n VAL 242 Cb 1.03 -1.49 0.37 0.00 -0.91 0.00 0.00 33.84 32.84 3irh n VAL 242 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3irh h TYR 243 N -0.16 0.66 -0.51 3.52 0.99 -1.33 -1.92 116.97 118.21 3irh h TYR 243 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3irh h TYR 243 Cb 0.16 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 37.67 3irh h TYR 243 CO -0.07 0.41 0.00 1.19 -0.00 0.00 0.00 178.16 179.69 3irh n PHE 244 N -4.46 1.21 -1.69 4.88 3.72 -0.57 -4.55 117.46 115.99 3irh n PHE 244 Ca 0.05 -0.47 -0.43 0.00 -0.05 0.00 0.00 57.45 56.55 3irh n PHE 244 Cb 0.06 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 3irh n PHE 244 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3irh n HIS 245 N 0.82 2.62 0.18 1.38 -0.00 -0.72 -4.87 115.22 114.63 3irh n HIS 245 Ca 0.20 -0.09 0.14 0.00 0.46 0.00 0.00 57.72 58.44 3irh n HIS 245 Cb 0.74 -2.71 0.73 0.00 -0.12 0.00 0.00 29.99 28.63 3irh n HIS 245 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3irh h PRO 246 N 8.11 0.00 0.17 1.57 0.11 -1.94 -2.62 132.00 137.40 3irh h PRO 246 Ca -0.46 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.33 3irh h PRO 246 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3irh h PRO 246 CO 0.95 0.00 -1.55 0.28 -0.21 0.00 0.00 178.00 177.47 3irh h VAL 247 N 0.00 1.16 -0.73 3.15 2.07 -1.94 -1.03 116.25 118.92 3irh h VAL 247 Ca 0.09 -2.73 -0.06 0.00 0.82 0.00 0.00 66.70 64.82 3irh h VAL 247 Cb 0.41 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 3irh h VAL 247 CO -0.00 0.84 0.22 0.28 0.02 0.00 0.00 177.57 178.93 3irh h SER 248 N 0.10 1.07 -0.60 0.57 0.02 -1.80 -2.17 113.55 110.74 3irh h SER 248 Ca -0.26 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 3irh h SER 248 Cb 2.07 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 64.30 3irh h SER 248 CO 0.20 1.00 0.23 0.03 -1.14 0.00 0.00 176.83 177.15 3irh h ARG 249 N 1.09 0.95 -0.77 3.45 3.08 -1.51 -0.85 114.38 119.82 3irh h ARG 249 Ca 0.24 -0.17 0.13 0.00 0.07 0.00 0.00 59.98 60.25 3irh h ARG 249 Cb 0.32 -0.16 -0.09 0.00 0.08 0.00 0.00 29.97 30.12 3irh h ARG 249 CO -0.01 0.79 0.35 0.78 -1.07 0.00 0.00 179.97 180.82 3irh h GLY 250 N 1.02 1.18 1.67 0.04 0.00 -0.62 -0.77 103.07 105.60 3irh h GLY 250 Ca 0.21 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.19 3irh h GLY 250 CO -0.01 -0.03 -0.59 -0.33 0.00 0.00 0.00 176.54 175.57 3irh h MET 251 N 0.54 0.34 -0.76 4.80 2.86 -0.81 -3.08 114.93 118.82 3irh h MET 251 Ca 0.41 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 3irh h MET 251 Cb 0.56 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 3irh h MET 251 CO -0.35 0.83 0.25 1.49 1.06 0.00 0.00 176.91 180.19 3irh h GLU 252 N 0.25 1.17 -0.42 1.72 4.81 -0.20 -1.87 114.58 120.04 3irh h GLU 252 Ca -0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3irh h GLU 252 Cb 1.10 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3irh h GLU 252 CO 0.10 0.99 0.19 0.28 -0.73 0.00 0.00 179.01 179.83 3irh h VAL 253 N 1.13 1.19 -0.53 0.32 2.07 -1.15 0.03 116.25 119.31 3irh h VAL 253 Ca 0.25 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3irh h VAL 253 Cb 0.29 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3irh h VAL 253 CO -0.01 0.21 0.26 0.40 0.02 0.00 0.00 177.57 178.44 3irh h ILE 254 N 0.54 0.93 -0.46 4.57 2.04 -1.41 -0.22 117.51 123.50 3irh h ILE 254 Ca 0.14 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 3irh h ILE 254 Cb 0.15 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3irh h ILE 254 CO -0.02 0.09 -0.09 0.25 0.00 0.00 0.00 178.15 178.38 3irh h LEU 255 N 0.49 0.87 -0.31 1.44 5.85 -0.99 0.11 115.31 122.79 3irh h LEU 255 Ca 0.24 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3irh h LEU 255 Cb 0.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3irh h LEU 255 CO -0.18 1.02 0.18 -0.78 -0.34 0.00 0.00 178.44 178.34 3irh h ASP 256 N 0.71 0.28 0.38 1.25 3.58 -0.76 -1.43 116.42 120.43 3irh h ASP 256 Ca 0.12 0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.43 3irh h ASP 256 Cb 0.63 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 3irh h ASP 256 CO 0.04 0.21 -0.60 0.45 -2.88 0.00 0.00 179.24 176.46 3irh h HIS 257 N 0.36 0.28 -0.17 0.28 3.86 -0.74 -1.78 115.15 117.25 3irh h HIS 257 Ca 0.12 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3irh h HIS 257 Cb 0.01 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3irh h HIS 257 CO -0.08 0.76 -0.01 1.25 0.86 0.00 0.00 177.93 180.71 3irh h LEU 258 N 0.16 0.29 -0.86 2.43 5.85 -0.60 -0.68 115.31 121.91 3irh h LEU 258 Ca -0.01 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 3irh h LEU 258 Cb 1.10 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3irh h LEU 258 CO 0.09 0.54 0.26 -0.07 -0.34 0.00 0.00 178.44 178.92 3irh h LEU 259 N 0.04 1.02 -0.53 2.25 3.38 -1.21 -1.72 115.31 118.54 3irh h LEU 259 Ca 0.05 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3irh h LEU 259 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3irh h LEU 259 CO 0.01 0.93 -0.12 -0.74 0.09 0.00 0.00 178.44 178.61 3irh h HIS 260 N 1.07 1.15 -0.24 1.13 2.76 -1.23 -1.50 115.15 118.28 3irh h HIS 260 Ca 0.24 -0.24 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3irh h HIS 260 Cb 0.25 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3irh h HIS 260 CO 0.02 1.07 0.13 -0.09 -1.30 0.00 0.00 177.93 177.76 3irh h ARG 261 N 0.90 0.34 -0.29 5.26 9.65 -0.95 -0.79 114.38 128.50 3irh h ARG 261 Ca 0.14 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.00 3irh h ARG 261 Cb 0.69 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 3irh h ARG 261 CO 0.05 0.31 0.13 0.00 2.80 0.00 0.00 179.97 183.26 3irh h ALA 262 N 1.01 0.34 -0.16 2.80 0.00 -1.20 0.11 119.26 122.15 3irh h ALA 262 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3irh h ALA 262 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3irh h ALA 262 CO -0.01 -0.27 -0.06 -0.22 0.00 0.00 0.00 179.25 178.69 3irh h LYS 263 N 0.27 -0.03 -0.75 0.00 3.64 -1.18 -1.16 116.57 117.37 3irh h LYS 263 Ca 0.12 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3irh h LYS 263 Cb 0.06 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3irh h LYS 263 CO -0.10 -0.02 0.49 0.93 -2.27 0.00 0.00 179.45 178.49 3irh h GLU 264 N -0.03 0.93 -0.17 1.90 5.08 -0.77 -0.48 114.58 121.05 3irh h GLU 264 Ca 0.08 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3irh h GLU 264 Cb 0.15 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3irh h GLU 264 CO -0.18 0.61 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.34 3irh h LEU 265 N 0.96 0.33 -0.89 1.33 3.38 -0.32 -1.70 115.31 118.40 3irh h LEU 265 Ca 0.29 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3irh h LEU 265 Cb -0.02 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3irh h LEU 265 CO -0.08 0.62 0.55 0.15 0.09 0.00 0.00 178.44 179.77 3irh h PHE 266 N 0.03 1.01 -0.00 1.13 3.57 -0.93 -2.43 116.94 119.33 3irh h PHE 266 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3irh h PHE 266 Cb 0.47 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3irh h PHE 266 CO 0.05 0.49 -0.05 0.39 -2.23 0.00 0.00 178.31 176.96 3irh n GLU 267 N -4.62 0.47 -3.22 1.11 -0.58 -0.21 -4.73 120.64 108.85 3irh n GLU 267 Ca 0.14 -0.07 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 3irh n GLU 267 Cb 0.21 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.51 3irh n GLU 267 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3irh s ASN 268 N -2.58 6.37 0.57 1.62 2.47 -0.65 -4.96 114.94 117.79 3irh s ASN 268 Ca 0.27 0.20 0.33 0.00 0.42 0.00 0.00 52.86 54.08 3irh s ASN 268 Cb 0.20 -2.28 1.72 0.00 -1.45 0.00 0.00 41.25 39.44 3irh s ASN 268 CO 0.48 -0.43 2.16 -0.65 -3.72 0.00 0.00 177.10 174.94 3irh h PRO 269 N 8.30 0.00 -0.37 0.43 0.11 -1.85 -2.74 132.00 135.88 3irh h PRO 269 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3irh h PRO 269 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3irh h PRO 269 CO 0.76 0.06 0.16 0.93 -0.21 0.00 0.00 178.00 179.70 3irh h GLU 270 N 0.00 0.55 -6.61 1.05 3.07 -1.92 -3.39 114.58 107.32 3irh h GLU 270 Ca -0.00 -0.09 -0.56 0.00 -0.50 0.00 0.00 59.36 58.21 3irh h GLU 270 Cb 0.24 -0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 27.99 3irh h GLU 270 CO 0.01 0.52 0.99 0.12 -1.40 0.00 0.00 179.01 179.24 3irh s PHE 271 N -5.61 2.62 -1.05 4.33 5.36 -1.04 -4.86 117.98 117.75 3irh s PHE 271 Ca -0.13 0.60 0.16 0.00 -0.96 0.00 0.00 56.93 56.60 3irh s PHE 271 Cb 0.10 -4.44 -0.11 0.00 -0.34 0.00 0.00 43.02 38.23 3irh s PHE 271 CO 0.74 -1.57 0.76 -0.40 -1.46 0.00 0.00 175.22 173.30 3irh n ASP 272 N 8.39 1.09 -4.77 6.13 5.75 -1.26 -4.84 116.55 127.03 3irh n ASP 272 Ca 0.12 -1.05 -0.41 0.00 -0.01 0.00 0.00 54.79 53.45 3irh n ASP 272 Cb 0.49 0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 41.38 3irh n ASP 272 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3irh s TYR 273 N -2.33 2.75 -0.21 2.11 5.04 -1.26 -4.97 117.35 118.48 3irh s TYR 273 Ca 0.09 1.29 -0.28 0.00 -2.44 0.00 0.00 57.07 55.73 3irh s TYR 273 Cb 0.13 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.58 3irh s TYR 273 CO 0.58 -2.51 0.96 0.34 -1.34 0.00 0.00 175.55 173.58 3irh s ASP 274 N -0.36 7.05 0.06 4.32 3.68 -1.26 -4.94 116.67 125.22 3irh s ASP 274 Ca 0.53 1.30 0.23 0.00 2.13 0.00 0.00 52.55 56.74 3irh s ASP 274 Cb -0.43 -2.51 0.94 0.00 -1.45 0.00 0.00 42.92 39.47 3irh s ASP 274 CO 0.58 -0.57 1.72 0.18 0.13 0.00 0.00 175.17 177.21 3irh n LEU 275 N 5.93 0.20 -2.51 -1.34 4.77 -1.26 -4.92 117.00 117.87 3irh n LEU 275 Ca 0.09 0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 56.41 3irh n LEU 275 Cb 0.47 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3irh n LEU 275 CO 0.51 -0.18 -0.21 0.00 -1.33 0.00 0.00 177.39 176.17 3irh n GLN 276 N -1.70 -2.25 -2.82 3.23 6.02 -1.26 -4.83 117.38 113.77 3irh n GLN 276 Ca 0.05 0.92 -0.27 0.00 -0.01 0.00 0.00 57.00 57.69 3irh n GLN 276 Cb 0.28 -5.60 -0.03 0.00 1.02 0.00 0.00 30.24 25.91 3irh n GLN 276 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3irh n ALA 277 N -2.29 4.82 -0.32 -1.58 0.00 -1.26 -4.93 120.51 114.95 3irh n ALA 277 Ca -0.21 -4.62 0.06 0.00 0.00 0.00 0.00 53.44 48.67 3irh n ALA 277 Cb 0.66 -0.73 0.25 0.00 0.00 0.00 0.00 19.45 19.64 3irh n ALA 277 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3irh h SER 278 N 2.91 0.89 0.82 0.00 4.64 -2.01 0.76 113.55 121.57 3irh h SER 278 Ca 0.18 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3irh h SER 278 Cb 0.59 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3irh h SER 278 CO 0.84 0.53 0.00 0.18 -0.87 0.00 0.00 176.83 177.51 3irh n LEU 279 N -4.53 0.67 0.03 5.97 4.77 -1.26 -2.64 117.00 120.00 3irh n LEU 279 Ca 0.16 0.65 0.11 0.00 -0.03 0.00 0.00 56.01 56.90 3irh n LEU 279 Cb 0.27 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3irh n LEU 279 CO 0.31 -0.50 -0.05 0.18 -1.33 0.00 0.00 177.39 175.99 3irh n LEU 280 N -2.22 0.60 -0.28 2.23 4.77 0.24 -4.50 117.00 117.84 3irh n LEU 280 Ca 0.03 -0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3irh n LEU 280 Cb 0.26 -0.08 0.16 0.00 -2.33 0.00 0.00 43.42 41.42 3irh n LEU 280 CO 0.21 0.04 1.11 0.58 -1.33 0.00 0.00 177.39 178.00 3irh h VAL 281 N 0.00 0.87 0.00 4.08 2.07 -1.27 0.16 116.25 122.15 3irh h VAL 281 Ca 0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3irh h VAL 281 Cb 0.75 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3irh h VAL 281 CO 0.00 0.13 -0.06 -0.65 0.02 0.00 0.00 177.57 177.01 3irh h PRO 282 N 0.71 0.00 0.05 1.57 0.11 -1.79 -2.86 132.00 129.79 3irh h PRO 282 Ca 0.39 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.21 3irh h PRO 282 Cb 0.40 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3irh h PRO 282 CO -0.27 0.06 -1.57 0.74 -0.21 0.00 0.00 178.00 176.75 3irh h PHE 283 N 0.00 0.19 -0.86 0.65 0.04 -1.08 -2.32 116.94 113.57 3irh h PHE 283 Ca -0.00 -0.14 0.10 0.00 2.80 0.00 0.00 57.97 60.74 3irh h PHE 283 Cb 0.31 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 3irh h PHE 283 CO 0.00 1.20 0.56 0.74 -0.60 0.00 0.00 178.31 180.21 3irh h PHE 284 N 0.03 0.88 0.00 -0.55 0.05 -0.81 -2.92 116.94 113.61 3irh h PHE 284 Ca -0.24 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.57 3irh h PHE 284 Cb 1.97 -0.28 0.00 0.00 2.00 0.00 0.00 35.95 39.64 3irh h PHE 284 CO 0.03 0.39 -0.43 1.63 -0.18 0.00 0.00 178.31 179.75 3irh n LYS 285 N -4.53 0.12 -2.66 1.51 5.02 -1.09 -4.93 118.16 111.60 3irh n LYS 285 Ca 0.15 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 3irh n LYS 285 Cb 0.34 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3irh n LYS 285 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3irh n GLY 286 N 1.43 -0.02 2.92 0.72 0.00 -1.10 -5.00 105.19 104.14 3irh n GLY 286 Ca 0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3irh n GLY 286 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3irh s ASP 287 N -2.80 0.16 0.11 1.61 2.15 -0.89 -5.06 116.67 111.95 3irh s ASP 287 Ca 0.16 -1.33 0.04 0.00 0.43 0.00 0.00 52.55 51.85 3irh s ASP 287 Cb -0.07 1.07 -0.04 0.00 -0.30 0.00 0.00 42.92 43.58 3irh s ASP 287 CO 0.20 -0.22 -0.10 0.72 -0.17 0.00 0.00 175.17 175.60 3irh s PHE 288 N 1.54 1.14 0.31 -5.34 -0.12 -1.26 -4.73 117.98 109.53 3irh s PHE 288 Ca 0.17 -0.69 0.07 0.00 -0.05 0.00 0.00 56.93 56.42 3irh s PHE 288 Cb -0.11 -0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 41.65 3irh s PHE 288 CO -0.04 0.03 0.38 0.95 -0.05 0.00 0.00 175.22 176.48 3irh s THR 289 N -2.75 4.13 0.19 -4.49 -4.23 -1.26 -5.03 115.64 102.21 3irh s THR 289 Ca 0.09 -1.14 -0.12 0.00 -1.18 0.00 0.00 61.69 59.34 3irh s THR 289 Cb -0.01 -3.41 0.11 0.00 1.34 0.00 0.00 72.50 70.53 3irh s THR 289 CO 0.00 -0.21 1.73 0.25 -0.54 0.00 0.00 174.62 175.86 3irh h LEU 290 N 1.09 0.11 -0.55 4.79 5.85 -2.01 -2.18 115.31 122.41 3irh h LEU 290 Ca -0.47 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.40 3irh h LEU 290 Cb 1.25 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 3irh h LEU 290 CO 0.56 0.08 0.23 -0.61 -0.34 0.00 0.00 178.44 178.37 3irh h GLN 291 N 0.31 0.42 -0.76 1.25 4.15 -1.99 -0.48 115.11 118.01 3irh h GLN 291 Ca 0.26 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 3irh h GLN 291 Cb 0.31 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3irh h GLN 291 CO -0.29 0.28 0.34 0.93 -1.93 0.00 0.00 178.83 178.15 3irh h GLU 292 N 0.43 1.10 -0.37 1.69 5.08 -1.92 -2.87 114.58 117.72 3irh h GLU 292 Ca 0.26 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3irh h GLU 292 Cb 0.26 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3irh h GLU 292 CO -0.24 0.86 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.48 3irh h TYR 293 N 1.08 0.84 0.00 4.33 3.20 -0.69 -3.02 116.97 122.72 3irh h TYR 293 Ca 0.26 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3irh h TYR 293 Cb 0.15 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3irh h TYR 293 CO 0.01 0.91 0.00 1.28 -1.64 0.00 0.00 178.16 178.72 3irh n LEU 294 N -4.11 0.68 0.18 2.82 4.77 -0.27 -2.04 117.00 119.04 3irh n LEU 294 Ca -0.00 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 3irh n LEU 294 Cb 0.44 -0.60 0.31 0.00 -2.33 0.00 0.00 43.42 41.23 3irh n LEU 294 CO 0.44 -0.60 0.85 0.11 -1.33 0.00 0.00 177.39 176.86 3irh h LYS 295 N 0.00 0.00 -6.36 3.23 1.57 -1.50 -3.46 116.57 110.06 3irh h LYS 295 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3irh h LYS 295 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3irh h LYS 295 CO 0.00 0.00 0.30 -0.51 -0.57 0.00 0.00 179.45 178.67 3irh s LEU 296 N -5.50 4.39 0.00 2.94 1.43 -0.86 -4.96 118.68 116.12 3irh s LEU 296 Ca 0.08 1.58 -0.02 0.00 -1.03 0.00 0.00 54.13 54.74 3irh s LEU 296 Cb 0.08 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.85 3irh s LEU 296 CO 0.62 -0.18 0.43 -0.90 0.23 0.00 0.00 176.35 176.55 3irh n ASP 297 N 3.61 -1.18 -0.29 2.29 3.85 -1.26 -4.55 116.55 119.02 3irh n ASP 297 Ca 0.03 -2.66 -0.02 0.00 -0.71 0.00 0.00 54.79 51.43 3irh n ASP 297 Cb 0.51 2.22 0.10 0.00 -1.35 0.00 0.00 41.12 42.59 3irh n ASP 297 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3irh h ASP 298 N 1.73 0.83 -0.97 -1.12 3.45 -1.82 -2.37 116.42 116.15 3irh h ASP 298 Ca -0.24 -0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.27 3irh h ASP 298 Cb 1.04 -0.18 -0.06 0.00 -0.56 0.00 0.00 39.33 39.56 3irh h ASP 298 CO 0.32 0.57 0.63 1.23 -1.57 0.00 0.00 179.24 180.43 3irh h GLY 299 N 0.98 1.44 0.55 2.75 0.00 -1.98 -1.74 103.07 105.06 3irh h GLY 299 Ca 0.32 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 47.23 3irh h GLY 299 CO -0.11 0.37 0.02 -2.08 0.00 0.00 0.00 176.54 174.73 3irh h VAL 300 N 1.18 0.79 -0.25 4.60 2.07 -1.80 -0.62 116.25 122.23 3irh h VAL 300 Ca 0.40 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.83 3irh h VAL 300 Cb 0.10 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3irh h VAL 300 CO -0.14 0.02 -0.08 -0.07 0.02 0.00 0.00 177.57 177.32 3irh h LEU 301 N 0.12 0.49 -1.28 2.57 3.38 -1.42 -2.15 115.31 117.02 3irh h LEU 301 Ca 0.15 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3irh h LEU 301 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3irh h LEU 301 CO -0.23 0.76 -0.12 0.77 0.09 0.00 0.00 178.44 179.70 3irh h SER 302 N 0.22 0.33 -0.63 -0.43 4.64 -1.12 -0.08 113.55 116.48 3irh h SER 302 Ca 0.06 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3irh h SER 302 Cb 0.55 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 3irh h SER 302 CO 0.03 0.48 0.29 0.74 -0.87 0.00 0.00 176.83 177.50 3irh h THR 303 N 0.32 1.22 -0.21 2.95 2.02 -1.00 -1.76 112.91 116.46 3irh h THR 303 Ca 0.06 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 3irh h THR 303 Cb 0.42 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3irh h THR 303 CO 0.02 0.27 -0.12 1.88 0.37 0.00 0.00 175.52 177.94 3irh h TYR 304 N 0.87 0.52 -1.00 3.16 0.99 -0.72 -2.67 116.97 118.12 3irh h TYR 304 Ca 0.21 -0.14 0.13 0.00 2.00 0.00 0.00 58.73 60.94 3irh h TYR 304 Cb 0.15 -0.12 -0.09 0.00 1.00 0.00 0.00 36.73 37.68 3irh h TYR 304 CO 0.01 0.75 0.63 0.74 -0.00 0.00 0.00 178.16 180.29 3irh h PHE 305 N 0.14 1.13 -0.14 4.88 0.05 -0.99 0.46 116.94 122.46 3irh h PHE 305 Ca 0.04 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.88 3irh h PHE 305 Cb 0.63 -0.36 -0.02 0.00 2.00 0.00 0.00 35.95 38.21 3irh h PHE 305 CO 0.07 0.43 0.04 1.15 -0.18 0.00 0.00 178.31 179.81 3irh h THR 306 N 0.96 0.95 -0.76 -1.55 2.02 -1.13 -2.32 112.91 111.08 3irh h THR 306 Ca 0.50 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.67 3irh h THR 306 Cb 0.54 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 3irh h THR 306 CO -0.27 0.02 0.49 1.56 0.37 0.00 0.00 175.52 177.69 3irh h GLN 307 N 0.10 0.95 0.00 6.66 4.20 -0.99 -2.88 115.11 123.15 3irh h GLN 307 Ca 0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3irh h GLN 307 Cb 0.05 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3irh h GLN 307 CO -0.07 0.63 0.00 -1.49 -0.67 0.00 0.00 178.83 177.22 3irh h TRP 308 N 0.98 0.00 0.00 2.96 6.55 -0.42 -2.16 115.95 123.86 3irh h TRP 308 Ca 0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.13 3irh h TRP 308 Cb -0.05 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.25 3irh h TRP 308 CO -0.03 0.00 0.02 0.52 -1.05 0.00 0.00 178.44 177.90 3irh h MET 309 N 0.00 0.00 -0.24 0.49 2.86 -1.22 -2.53 114.93 114.29 3irh h MET 309 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3irh h MET 309 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3irh h MET 309 CO 0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 3irh n ASP 310 N -2.69 2.60 -4.71 1.22 8.00 -0.81 -4.81 116.55 115.35 3irh n ASP 310 Ca -0.02 -1.86 -0.40 0.00 0.71 0.00 0.00 54.79 53.22 3irh n ASP 310 Cb 0.07 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 3irh n ASP 310 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3irh s VAL 311 N -0.96 5.01 -0.42 2.53 1.01 -0.95 -4.95 120.40 121.67 3irh s VAL 311 Ca 0.19 1.50 -0.07 0.00 0.00 0.00 0.00 61.98 63.60 3irh s VAL 311 Cb 0.10 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 3irh s VAL 311 CO 0.14 0.21 1.56 -0.81 0.00 0.00 0.00 175.10 176.19 3irh n PRO 312 N 4.06 0.93 -3.60 2.72 -0.04 -1.26 -4.39 135.00 133.42 3irh n PRO 312 Ca 0.00 -1.03 -0.18 0.00 -0.04 0.00 0.00 63.50 62.26 3irh n PRO 312 Cb 0.51 -2.29 -0.15 0.00 -0.04 0.00 0.00 33.50 31.53 3irh n PRO 312 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3irh s ASP 313 N 4.56 1.09 0.40 3.54 2.15 -1.26 -5.06 116.67 122.09 3irh s ASP 313 Ca 0.26 0.07 0.15 0.00 0.43 0.00 0.00 52.55 53.46 3irh s ASP 313 Cb 0.06 0.30 0.86 0.00 -0.30 0.00 0.00 42.92 43.84 3irh s ASP 313 CO 0.03 -0.28 1.89 0.77 -0.17 0.00 0.00 175.17 177.40 3irh h SER 314 N 8.35 0.00 -0.28 -0.34 4.64 -1.99 -0.18 113.55 123.74 3irh h SER 314 Ca -0.15 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.02 3irh h SER 314 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3irh h SER 314 CO 0.20 0.30 -0.43 0.40 -0.87 0.00 0.00 176.83 176.43 3irh h ILE 315 N 0.00 1.29 0.03 0.95 2.04 -1.97 -1.82 117.51 118.03 3irh h ILE 315 Ca -0.00 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 3irh h ILE 315 Cb 0.55 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3irh h ILE 315 CO 0.04 0.52 -0.01 0.25 0.00 0.00 0.00 178.15 178.95 3irh h LEU 316 N 0.54 -0.03 -0.51 1.44 5.85 -1.81 -1.67 115.31 119.12 3irh h LEU 316 Ca 0.02 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.41 3irh h LEU 316 Cb 1.03 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 3irh h LEU 316 CO 0.10 0.40 0.12 1.23 -0.34 0.00 0.00 178.44 179.96 3irh h GLY 317 N -0.47 0.64 0.64 3.75 0.00 -1.13 -0.87 103.07 105.64 3irh h GLY 317 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3irh h GLY 317 CO 0.01 -0.05 -0.06 -1.80 0.00 0.00 0.00 176.54 174.63 3irh h ASP 318 N 0.27 0.19 -0.98 0.19 3.58 -1.36 -2.26 116.42 116.04 3irh h ASP 318 Ca 0.25 -0.46 0.07 0.00 0.42 0.00 0.00 57.03 57.32 3irh h ASP 318 Cb 0.33 -0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.26 3irh h ASP 318 CO -0.31 0.61 0.63 -0.07 -2.88 0.00 0.00 179.24 177.22 3irh h LEU 319 N -0.23 0.99 -0.35 2.28 3.38 -1.19 0.98 115.31 121.16 3irh h LEU 319 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3irh h LEU 319 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3irh h LEU 319 CO 0.02 0.61 0.15 0.00 0.09 0.00 0.00 178.44 179.31 3irh h ALA 320 N 1.48 0.45 -0.18 1.53 0.00 -1.13 -1.77 119.26 119.65 3irh h ALA 320 Ca 0.43 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3irh h ALA 320 Cb 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3irh h ALA 320 CO -0.18 0.04 -0.02 -0.22 0.00 0.00 0.00 179.25 178.87 3irh h LYS 321 N 0.42 0.03 -0.65 0.00 3.64 -0.89 -1.50 116.57 117.62 3irh h LYS 321 Ca 0.12 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3irh h LYS 321 Cb 0.17 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3irh h LYS 321 CO -0.01 0.02 0.43 0.00 -2.27 0.00 0.00 179.45 177.62 3irh h ARG 322 N 0.04 0.63 -0.08 1.90 3.08 -0.66 0.17 114.38 119.46 3irh h ARG 322 Ca 0.08 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3irh h ARG 322 Cb 0.11 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3irh h ARG 322 CO -0.16 0.42 -0.47 0.35 -1.07 0.00 0.00 179.97 179.05 3irh h PHE 323 N 0.65 0.62 -0.00 3.04 3.57 -0.81 0.37 116.94 124.38 3irh h PHE 323 Ca 0.28 -0.28 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 3irh h PHE 323 Cb 0.27 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3irh h PHE 323 CO -0.00 1.05 -0.85 -0.07 -2.23 0.00 0.00 178.31 176.21 3irh h LEU 324 N 0.01 0.22 -0.58 0.59 3.38 -0.97 -3.27 115.31 114.70 3irh h LEU 324 Ca -0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3irh h LEU 324 Cb 1.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3irh h LEU 324 CO 0.10 0.97 -0.26 0.23 0.09 0.00 0.00 178.44 179.56 3irh n MET 325 N -3.66 0.93 -2.82 1.13 2.81 0.57 -5.00 117.12 111.08 3irh n MET 325 Ca -0.03 -0.58 -0.03 0.00 -1.81 0.00 0.00 57.70 55.26 3irh n MET 325 Cb 0.79 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.83 3irh n MET 325 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3irh n ARG 326 N -0.53 -1.26 -3.66 0.03 0.63 -0.87 -5.01 116.66 105.98 3irh n ARG 326 Ca 0.12 1.19 -0.28 0.00 -0.92 0.00 0.00 57.85 57.96 3irh n ARG 326 Cb 0.36 -5.03 -0.10 0.00 0.45 0.00 0.00 32.46 28.15 3irh n ARG 326 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3irh n LYS 327 N -1.92 2.22 -2.19 -0.14 4.76 0.07 -5.05 118.16 115.91 3irh n LYS 327 Ca -0.01 -4.58 -0.36 0.00 -2.87 0.00 0.00 58.31 50.48 3irh n LYS 327 Cb 0.52 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 3irh n LYS 327 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3irh s PRO 328 N -1.97 3.47 0.49 1.97 0.04 -1.26 -4.84 135.00 132.89 3irh s PRO 328 Ca 0.32 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 3irh s PRO 328 Cb 0.05 -2.20 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 3irh s PRO 328 CO -0.09 -0.79 1.39 1.28 0.04 0.00 0.00 177.00 178.83 3irh n LEU 329 N -0.95 5.18 -4.90 -3.56 4.77 -1.25 -4.56 117.00 111.73 3irh n LEU 329 Ca 0.10 1.06 -0.28 0.00 -0.03 0.00 0.00 56.01 56.86 3irh n LEU 329 Cb 0.49 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.02 3irh n LEU 329 CO 0.46 -0.36 0.58 -0.54 -1.33 0.00 0.00 177.39 176.20 3irh s LYS 330 N -2.59 3.13 0.07 3.23 -0.14 0.11 -4.69 119.74 118.86 3irh s LYS 330 Ca 0.65 0.23 0.01 0.00 -1.36 0.00 0.00 55.97 55.50 3irh s LYS 330 Cb -0.44 -2.22 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 3irh s LYS 330 CO 0.54 -0.65 -0.05 -1.54 -0.76 0.00 0.00 175.35 172.90 3irh s SER 331 N -4.26 0.83 0.01 2.83 1.04 -1.26 -0.76 113.70 112.13 3irh s SER 331 Ca 0.54 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 56.04 3irh s SER 331 Cb -0.11 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3irh s SER 331 CO 0.48 -0.50 -0.13 0.00 0.98 0.00 0.00 173.24 174.07 3irh s ALA 332 N -3.56 1.06 0.18 5.32 0.00 -0.38 -4.88 121.76 119.50 3irh s ALA 332 Ca 0.08 -0.64 -0.26 0.00 0.00 0.00 0.00 51.96 51.13 3irh s ALA 332 Cb 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.87 3irh s ALA 332 CO -0.07 0.23 0.81 0.95 0.00 0.00 0.00 175.76 177.69 3irh s THR 333 N -0.52 4.31 0.28 0.00 -4.23 0.86 -1.14 115.64 115.21 3irh s THR 333 Ca 0.03 1.79 0.02 0.00 -1.18 0.00 0.00 61.69 62.36 3irh s THR 333 Cb -0.06 -4.18 -0.05 0.00 1.34 0.00 0.00 72.50 69.55 3irh s THR 333 CO 0.00 0.51 0.11 0.72 -0.54 0.00 0.00 174.62 175.43 3irh s PHE 334 N -1.11 1.60 0.00 3.99 -0.12 -0.74 -0.61 117.98 120.98 3irh s PHE 334 Ca 0.37 -1.23 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 3irh s PHE 334 Cb -0.24 -0.93 0.00 0.00 -0.63 0.00 0.00 43.02 41.23 3irh s PHE 334 CO 0.27 -0.36 0.00 2.41 -0.05 0.00 0.00 175.22 177.49 3irh n THR 335 N -0.54 0.00 -3.86 -4.49 -1.04 -1.26 -4.29 114.28 98.80 3irh n THR 335 Ca -0.00 0.13 -0.35 0.00 -2.04 0.00 0.00 64.05 61.78 3irh n THR 335 Cb 0.66 -1.05 -0.08 0.00 -1.82 0.00 0.00 70.33 68.04 3irh n THR 335 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3irh s ASN 336 N -1.75 6.01 0.43 8.00 4.22 -1.26 -4.86 114.94 125.72 3irh s ASN 336 Ca 0.00 0.21 0.16 0.00 -2.14 0.00 0.00 52.86 51.09 3irh s ASN 336 Cb 0.00 -2.02 1.06 0.00 1.28 0.00 0.00 41.25 41.56 3irh s ASN 336 CO 0.00 0.21 1.93 -0.08 -2.04 0.00 0.00 177.10 177.12 3irh h GLU 337 N 6.41 0.39 -0.14 3.55 4.81 -1.97 -2.80 114.58 124.84 3irh h GLU 337 Ca -0.42 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 58.60 3irh h GLU 337 Cb 1.17 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.47 3irh h GLU 337 CO 0.71 0.26 -0.65 0.87 -0.73 0.00 0.00 179.01 179.47 3irh h LYS 338 N 0.40 0.69 -0.01 1.92 1.57 -2.00 -1.81 116.57 117.33 3irh h LYS 338 Ca 0.35 -0.56 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 3irh h LYS 338 Cb 0.81 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 3irh h LYS 338 CO -0.11 1.17 -0.64 0.93 -0.57 0.00 0.00 179.45 180.23 3irh h GLU 339 N 0.38 0.04 -0.00 3.15 5.08 -1.98 -3.27 114.58 117.98 3irh h GLU 339 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3irh h GLU 339 Cb 1.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3irh h GLU 339 CO 0.14 0.67 -0.36 0.43 -1.00 0.00 0.00 179.01 178.88 3irh n SER 340 N -3.79 0.47 -0.23 1.42 7.64 -1.06 -4.47 113.62 113.60 3irh n SER 340 Ca -0.01 -0.22 -0.04 0.00 1.01 0.00 0.00 58.87 59.60 3irh n SER 340 Cb 0.64 0.09 0.06 0.00 -1.01 0.00 0.00 64.21 63.98 3irh n SER 340 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3irh h ALA 341 N 3.12 0.85 -0.14 -0.43 0.00 -1.38 -1.23 119.26 120.06 3irh h ALA 341 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 3irh h ALA 341 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3irh h ALA 341 CO 0.00 0.21 -0.73 0.00 0.00 0.00 0.00 179.25 178.73 3irh h ALA 342 N 1.27 0.46 -0.21 0.00 0.00 -1.83 -1.72 119.26 117.23 3irh h ALA 342 Ca 0.26 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3irh h ALA 342 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3irh h ALA 342 CO -0.08 0.71 0.04 1.15 0.00 0.00 0.00 179.25 181.07 3irh h THR 343 N 0.44 1.22 -0.45 0.00 2.02 -1.74 -2.15 112.91 112.25 3irh h THR 343 Ca -0.04 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3irh h THR 343 Cb 1.33 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 3irh h THR 343 CO 0.14 0.22 0.28 0.40 0.37 0.00 0.00 175.52 176.93 3irh h ILE 344 N 0.16 1.13 -0.88 3.11 2.04 -1.18 -1.00 117.51 120.90 3irh h ILE 344 Ca 0.07 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.75 3irh h ILE 344 Cb 0.29 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 3irh h ILE 344 CO 0.00 0.13 0.52 0.00 0.00 0.00 0.00 178.15 178.80 3irh h ALA 345 N 1.14 1.27 -0.59 1.87 0.00 -1.29 -1.26 119.26 120.40 3irh h ALA 345 Ca 0.16 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3irh h ALA 345 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3irh h ALA 345 CO -0.03 0.14 0.26 -0.92 0.00 0.00 0.00 179.25 178.69 3irh h TYR 346 N 0.85 0.88 -0.04 0.00 5.03 -0.72 -2.84 116.97 120.13 3irh h TYR 346 Ca 0.42 -0.06 -0.08 0.00 2.58 0.00 0.00 58.73 61.59 3irh h TYR 346 Cb 0.39 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 3irh h TYR 346 CO -0.05 0.69 -0.36 -0.07 -1.32 0.00 0.00 178.16 177.05 3irh h LEU 347 N 0.81 0.08 -1.21 2.82 3.38 -0.50 -1.75 115.31 118.93 3irh h LEU 347 Ca 0.20 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3irh h LEU 347 Cb 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3irh h LEU 347 CO -0.02 0.44 -0.39 0.03 0.09 0.00 0.00 178.44 178.59 3irh h ARG 348 N 0.07 0.00 -0.20 1.13 3.08 -1.13 -1.09 114.38 116.24 3irh h ARG 348 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3irh h ARG 348 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3irh h ARG 348 CO 0.05 0.39 -0.08 0.93 -1.07 0.00 0.00 179.97 180.19 3irh h GLU 349 N 0.00 0.41 -0.47 0.04 5.08 -1.10 -0.47 114.58 118.07 3irh h GLU 349 Ca -0.00 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3irh h GLU 349 Cb 0.70 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3irh h GLU 349 CO 0.05 0.68 0.28 -0.07 -1.00 0.00 0.00 179.01 178.95 3irh h LEU 350 N 0.11 0.57 -0.22 1.33 3.38 -1.26 0.18 115.31 119.40 3irh h LEU 350 Ca 0.05 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3irh h LEU 350 Cb 0.55 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3irh h LEU 350 CO 0.03 0.46 0.12 0.40 0.09 0.00 0.00 178.44 179.54 3irh h ILE 351 N 0.62 1.01 -0.88 1.22 2.04 -1.17 -2.09 117.51 118.26 3irh h ILE 351 Ca 0.17 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.97 3irh h ILE 351 Cb 0.01 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3irh h ILE 351 CO -0.03 0.05 0.58 -0.08 0.00 0.00 0.00 178.15 178.67 3irh h GLU 352 N 0.25 1.08 -0.23 2.37 4.81 -0.76 -2.71 114.58 119.39 3irh h GLU 352 Ca 0.09 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3irh h GLU 352 Cb 0.01 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3irh h GLU 352 CO -0.05 0.72 0.14 -0.22 -0.73 0.00 0.00 179.01 178.86 3irh h LYS 353 N 1.12 0.31 -0.54 1.92 3.64 0.01 -2.32 116.57 120.70 3irh h LYS 353 Ca 0.35 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3irh h LYS 353 Cb -0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3irh h LYS 353 CO -0.10 0.22 0.00 1.33 -2.27 0.00 0.00 179.45 178.63 3irh n VAL 354 N -4.48 0.72 0.00 2.00 0.24 -0.93 -4.94 118.33 110.93 3irh n VAL 354 Ca 0.00 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 3irh n VAL 354 Cb 0.09 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 3irh n VAL 354 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3irh n GLY 355 N 1.37 0.51 3.69 7.63 0.00 -0.87 -5.08 105.19 112.43 3irh n GLY 355 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3irh n GLY 355 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3irh s PHE 356 N -2.00 3.47 -0.36 1.61 0.40 -1.04 -5.00 117.98 115.06 3irh s PHE 356 Ca 0.00 1.10 -0.29 0.00 -0.60 0.00 0.00 56.93 57.14 3irh s PHE 356 Cb 0.00 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.71 3irh s PHE 356 CO 0.00 -0.07 1.41 1.21 0.70 0.00 0.00 175.22 178.48 3irh s ASN 357 N 1.00 6.42 0.54 1.36 3.84 -1.26 -3.03 114.94 123.81 3irh s ASN 357 Ca 0.33 1.03 0.34 0.00 0.21 0.00 0.00 52.86 54.78 3irh s ASN 357 Cb -0.17 -2.54 1.50 0.00 -0.55 0.00 0.00 41.25 39.50 3irh s ASN 357 CO 0.13 -1.32 2.02 1.55 -2.79 0.00 0.00 177.10 176.69 3irh h PRO 358 N 10.36 0.00 -0.12 0.43 0.13 -1.91 0.13 132.00 141.03 3irh h PRO 358 Ca -0.28 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.88 3irh h PRO 358 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3irh h PRO 358 CO 1.06 0.00 0.09 -0.22 -0.23 0.00 0.00 178.00 178.70 3irh h LYS 359 N 0.00 0.01 0.00 0.86 3.64 -1.91 -2.30 116.57 116.88 3irh h LYS 359 Ca 0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3irh h LYS 359 Cb 0.41 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3irh h LYS 359 CO 0.00 0.01 -1.51 0.66 -2.27 0.00 0.00 179.45 176.34 3irh n TYR 360 N -4.51 0.00 0.18 1.91 4.02 -0.53 -4.69 117.16 113.55 3irh n TYR 360 Ca -0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 3irh n TYR 360 Cb 0.20 -0.29 0.13 0.00 -0.02 0.00 0.00 39.34 39.36 3irh n TYR 360 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3irh n TYR 361 N -1.97 0.31 -4.20 -0.72 4.02 -0.08 -4.93 117.16 109.60 3irh n TYR 361 Ca -0.05 -0.26 -0.13 0.00 -0.01 0.00 0.00 57.90 57.45 3irh n TYR 361 Cb 0.39 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.60 3irh n TYR 361 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3irh s THR 362 N -1.11 0.93 0.04 -0.72 -4.23 -0.87 -3.60 115.64 106.09 3irh s THR 362 Ca 0.24 -1.86 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 3irh s THR 362 Cb 0.14 -1.60 0.04 0.00 1.34 0.00 0.00 72.50 72.42 3irh s THR 362 CO 0.20 -0.71 0.47 0.00 -0.54 0.00 0.00 174.62 174.03 3irh s ALA 363 N -3.07 -1.17 -0.27 3.99 0.00 -0.87 -4.79 121.76 115.59 3irh s ALA 363 Ca 0.11 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 3irh s ALA 363 Cb 0.01 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 3irh s ALA 363 CO -0.01 -0.47 0.20 0.42 0.00 0.00 0.00 175.76 175.91 3irh s ILE 364 N -2.36 5.31 -0.05 0.00 1.01 -1.26 -0.54 121.20 123.31 3irh s ILE 364 Ca -0.06 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 3irh s ILE 364 Cb -0.01 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.94 3irh s ILE 364 CO -0.01 0.26 0.12 0.21 0.00 0.00 0.00 174.94 175.52 3irh s ASN 365 N 1.60 -0.10 0.00 3.58 2.47 -0.45 -4.95 114.94 117.09 3irh s ASN 365 Ca 0.08 0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.61 3irh s ASN 365 Cb -0.15 0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.84 3irh s ASN 365 CO 0.10 -0.09 0.35 -1.54 -3.72 0.00 0.00 177.10 172.19 3irh n SER 366 N 3.63 0.52 -3.37 -4.21 3.41 -1.26 -0.75 113.62 111.59 3irh n SER 366 Ca -0.20 -1.12 -0.07 0.00 -0.26 0.00 0.00 58.87 57.23 3irh n SER 366 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3irh n SER 366 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3irh s SER 367 N -0.12 -0.10 0.48 4.04 0.15 -1.26 -3.67 113.70 113.22 3irh s SER 367 Ca 0.00 -0.83 0.27 0.00 0.70 0.00 0.00 55.95 56.09 3irh s SER 367 Cb 0.00 0.73 1.05 0.00 -1.71 0.00 0.00 66.02 66.09 3irh s SER 367 CO 0.00 -1.40 1.87 0.10 1.20 0.00 0.00 173.24 175.01 3irh h TYR 368 N 2.00 0.00 -3.04 3.44 -0.00 -1.95 -3.42 116.97 114.01 3irh h TYR 368 Ca -0.26 0.00 -0.57 0.00 -0.00 0.00 0.00 58.73 57.89 3irh h TYR 368 Cb 1.24 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.92 3irh h TYR 368 CO 0.96 0.14 0.89 -0.51 -0.00 0.00 0.00 178.16 179.63 3irh s ASP 369 N -6.02 6.93 0.26 0.10 1.01 -1.26 -4.88 116.67 112.81 3irh s ASP 369 Ca 0.01 1.46 -0.22 0.00 0.71 0.00 0.00 52.55 54.51 3irh s ASP 369 Cb 0.10 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3irh s ASP 369 CO 0.60 -0.81 0.80 -0.76 0.21 0.00 0.00 175.17 175.21 3irh s LEU 370 N 3.61 4.33 -0.83 1.23 1.43 -1.26 -4.80 118.68 122.40 3irh s LEU 370 Ca 0.52 1.55 -0.32 0.00 -1.03 0.00 0.00 54.13 54.85 3irh s LEU 370 Cb -0.18 -3.75 -0.19 0.00 0.03 0.00 0.00 46.19 42.10 3irh s LEU 370 CO 0.14 -0.01 2.57 -0.81 0.23 0.00 0.00 176.35 178.47 3irh n PRO 371 N 0.63 0.23 0.00 1.29 -0.04 -1.26 -5.03 135.00 130.82 3irh n PRO 371 Ca -0.01 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3irh n PRO 371 Cb 0.51 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3irh n PRO 371 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3irh n ARG 383 N 8.46 0.00 -4.31 0.54 3.00 -1.26 -5.07 116.66 118.01 3irh n ARG 383 Ca 0.59 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 58.09 3irh n ARG 383 Cb 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.48 3irh n ARG 383 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3irh s THR 384 N -0.41 4.31 -0.43 5.15 -1.32 -1.26 -4.73 115.64 116.95 3irh s THR 384 Ca 0.00 -0.23 0.08 0.00 -1.21 0.00 0.00 61.69 60.32 3irh s THR 384 Cb 0.00 -2.85 0.25 0.00 -1.51 0.00 0.00 72.50 68.39 3irh s THR 384 CO 0.00 0.56 0.54 1.67 -2.21 0.00 0.00 174.62 175.18 3irh n GLN 385 N 2.70 0.93 -4.15 7.08 -0.06 -1.26 -4.97 117.38 117.64 3irh n GLN 385 Ca -0.18 -3.42 -0.30 0.00 -2.00 0.00 0.00 57.00 51.10 3irh n GLN 385 Cb 0.53 -1.37 -0.16 0.00 -4.06 0.00 0.00 30.24 25.17 3irh n GLN 385 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 3irh s ILE 386 N -1.30 1.64 -0.13 1.69 1.01 -1.26 -4.73 121.20 118.12 3irh s ILE 386 Ca 0.35 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 3irh s ILE 386 Cb 0.16 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 3irh s ILE 386 CO -0.10 0.47 0.38 -1.61 0.00 0.00 0.00 174.94 174.08 3irh s GLU 387 N 1.33 4.27 -0.10 2.79 0.41 -1.26 -1.26 118.70 124.88 3irh s GLU 387 Ca 0.02 0.27 -0.02 0.00 -0.41 0.00 0.00 54.97 54.84 3irh s GLU 387 Cb -0.13 -3.42 -0.03 0.00 -1.78 0.00 0.00 34.13 28.77 3irh s GLU 387 CO -0.09 0.23 -0.03 -0.51 -0.49 0.00 0.00 175.26 174.38 3irh s LEU 388 N 0.43 3.35 -0.18 1.80 1.43 0.19 -1.16 118.68 124.54 3irh s LEU 388 Ca 0.21 0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3irh s LEU 388 Cb -0.14 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3irh s LEU 388 CO 0.07 0.30 0.00 -0.32 0.23 0.00 0.00 176.35 176.64 3irh s MET 389 N -0.43 3.73 0.72 1.70 1.75 0.76 -0.54 119.30 126.99 3irh s MET 389 Ca 0.07 -0.47 -0.10 0.00 -1.25 0.00 0.00 55.69 53.93 3irh s MET 389 Cb -0.12 -3.05 0.04 0.00 2.84 0.00 0.00 34.83 34.53 3irh s MET 389 CO 0.02 0.17 1.09 -0.65 -0.65 0.00 0.00 175.02 175.00 3irh s GLN 390 N 0.59 2.53 0.43 4.11 -0.21 -0.12 -0.53 119.66 126.46 3irh s GLN 390 Ca -0.00 0.22 0.16 0.00 0.02 0.00 0.00 55.36 55.76 3irh s GLN 390 Cb -0.14 -2.05 1.06 0.00 1.00 0.00 0.00 33.01 32.89 3irh s GLN 390 CO 0.02 -1.19 1.93 0.87 -2.12 0.00 0.00 175.29 174.80 3irh h LYS 391 N -0.71 0.39 0.00 2.91 1.57 -1.99 -1.29 116.57 117.44 3irh h LYS 391 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3irh h LYS 391 Cb 1.28 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3irh h LYS 391 CO 0.64 0.26 0.00 -0.40 -0.57 0.00 0.00 179.45 179.38 3irh n ASP 392 N -4.47 0.00 0.00 0.86 5.75 -1.26 -4.89 116.55 112.53 3irh n ASP 392 Ca 0.14 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 3irh n ASP 392 Cb 0.51 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 3irh n ASP 392 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3irh n GLY 393 N 1.31 0.70 3.89 6.12 0.00 -0.49 -5.09 105.19 111.63 3irh n GLY 393 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3irh n GLY 393 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3irh s SER 394 N -2.62 6.29 -0.03 1.61 1.04 -1.26 -4.79 113.70 113.95 3irh s SER 394 Ca 0.00 1.10 0.03 0.00 0.48 0.00 0.00 55.95 57.56 3irh s SER 394 Cb 0.00 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 3irh s SER 394 CO 0.00 -0.63 -0.10 -0.76 0.98 0.00 0.00 173.24 172.72 3irh s LEU 395 N -4.73 2.97 -0.02 2.42 1.43 -1.26 -0.94 118.68 118.54 3irh s LEU 395 Ca 0.50 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 3irh s LEU 395 Cb -0.10 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 3irh s LEU 395 CO 0.45 0.32 -0.10 0.54 0.23 0.00 0.00 176.35 177.79 3irh s VAL 396 N -0.86 0.87 0.28 -1.59 0.11 0.30 -4.95 120.40 114.56 3irh s VAL 396 Ca 0.14 -0.43 -0.27 0.00 -2.93 0.00 0.00 61.98 58.48 3irh s VAL 396 Cb -0.11 -0.75 -0.09 0.00 -1.53 0.00 0.00 36.38 33.90 3irh s VAL 396 CO 0.03 0.26 0.92 -0.70 -3.33 0.00 0.00 175.10 172.29 3irh s GLU 397 N -0.00 4.66 0.30 1.54 -6.30 -1.26 0.55 118.70 118.18 3irh s GLU 397 Ca -0.00 1.35 0.06 0.00 -2.50 0.00 0.00 54.97 53.87 3irh s GLU 397 Cb -0.07 -2.98 0.74 0.00 0.00 0.00 0.00 34.13 31.82 3irh s GLU 397 CO 0.00 0.38 1.75 1.25 0.02 0.00 0.00 175.26 178.66 3irh h LEU 398 N 3.56 0.67 -2.05 2.70 5.85 -1.54 -0.79 115.31 123.70 3irh h LEU 398 Ca -0.46 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 3irh h LEU 398 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3irh h LEU 398 CO 0.66 0.19 -0.09 0.00 -0.34 0.00 0.00 178.44 178.87 3irh h ALA 399 N 1.66 1.47 -0.33 1.25 0.00 -1.86 0.24 119.26 121.69 3irh h ALA 399 Ca 0.58 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.29 3irh h ALA 399 Cb 0.96 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3irh h ALA 399 CO -0.42 0.11 -0.29 1.15 0.00 0.00 0.00 179.25 179.79 3irh h THR 400 N 0.00 1.28 0.00 0.00 2.02 -1.53 -2.85 112.91 111.84 3irh h THR 400 Ca -0.00 -1.42 -0.16 0.00 0.77 0.00 0.00 66.41 65.60 3irh h THR 400 Cb 0.21 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3irh h THR 400 CO 0.01 0.46 -1.86 1.33 0.37 0.00 0.00 175.52 175.84 3irh n VAL 401 N -4.08 0.82 -3.27 3.16 0.24 -0.80 -4.71 118.33 109.68 3irh n VAL 401 Ca -0.01 -0.67 -0.25 0.00 -2.04 0.00 0.00 64.34 61.38 3irh n VAL 401 Cb 0.47 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.37 3irh n VAL 401 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3irh n SER 402 N -2.63 0.44 -0.24 -1.34 2.88 0.79 -5.03 113.62 108.49 3irh n SER 402 Ca -0.14 -2.71 -0.05 0.00 -1.33 0.00 0.00 58.87 54.64 3irh n SER 402 Cb 0.82 -0.63 0.05 0.00 -0.75 0.00 0.00 64.21 63.71 3irh n SER 402 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3irh h PRO 403 N 4.39 0.88 -0.08 -1.46 0.13 -1.71 -1.43 132.00 132.73 3irh h PRO 403 Ca 0.13 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 3irh h PRO 403 Cb 0.86 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 3irh h PRO 403 CO 0.48 0.58 -0.74 -0.07 -0.23 0.00 0.00 178.00 178.03 3irh h LEU 404 N 0.91 0.51 -0.51 1.56 3.38 -1.96 0.89 115.31 120.08 3irh h LEU 404 Ca 0.25 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3irh h LEU 404 Cb -0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3irh h LEU 404 CO -0.06 1.08 -0.29 0.58 0.09 0.00 0.00 178.44 179.84 3irh h VAL 405 N 0.29 1.27 -0.98 1.22 2.07 -1.97 -2.70 116.25 115.45 3irh h VAL 405 Ca -0.03 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.05 3irh h VAL 405 Cb 1.32 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 3irh h VAL 405 CO 0.13 0.49 0.65 0.00 0.02 0.00 0.00 177.57 178.86 3irh h ALA 406 N 0.90 1.25 -0.79 1.67 0.00 -0.96 -2.72 119.26 118.62 3irh h ALA 406 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3irh h ALA 406 Cb 0.86 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3irh h ALA 406 CO 0.08 0.61 0.52 0.00 0.00 0.00 0.00 179.25 180.46 3irh h ALA 407 N 1.37 1.01 -0.73 0.00 0.00 -0.67 -2.61 119.26 117.62 3irh h ALA 407 Ca 0.37 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.32 3irh h ALA 407 Cb -0.12 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.29 3irh h ALA 407 CO -0.09 0.39 0.38 1.25 0.00 0.00 0.00 179.25 181.18 3irh h LEU 408 N 1.05 0.52 -0.27 0.00 5.85 -1.17 -0.72 115.31 120.57 3irh h LEU 408 Ca 0.30 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 3irh h LEU 408 Cb -0.09 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3irh h LEU 408 CO -0.08 0.30 0.02 0.00 -0.34 0.00 0.00 178.44 178.34 3irh h ALA 409 N 1.43 0.36 0.00 1.25 0.00 -1.32 -3.10 119.26 117.88 3irh h ALA 409 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3irh h ALA 409 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3irh h ALA 409 CO -0.26 0.08 0.00 0.78 0.00 0.00 0.00 179.25 179.85 3irh h GLY 410 N 0.26 0.00 -4.65 0.00 0.00 -1.24 -3.45 103.07 93.99 3irh h GLY 410 Ca 0.08 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.88 3irh h GLY 410 CO 0.01 0.00 0.78 1.62 0.00 0.00 0.00 176.54 178.95 3irh s GLN 411 N -3.41 4.30 -0.24 4.80 0.74 -0.30 -4.08 119.66 121.48 3irh s GLN 411 Ca 0.04 2.08 -0.12 0.00 0.05 0.00 0.00 55.36 57.42 3irh s GLN 411 Cb 0.09 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 3irh s GLN 411 CO 0.52 -0.50 0.22 -1.54 -0.55 0.00 0.00 175.29 173.44 3irh s SER 412 N 1.39 6.17 -1.24 6.67 1.04 -1.26 -4.99 113.70 121.48 3irh s SER 412 Ca 0.65 0.18 -0.19 0.00 0.48 0.00 0.00 55.95 57.07 3irh s SER 412 Cb -0.36 -2.14 0.06 0.00 0.10 0.00 0.00 66.02 63.68 3irh s SER 412 CO 0.30 0.01 1.70 -1.10 0.98 0.00 0.00 173.24 175.13 3irh s GLN 413 N 1.26 3.83 -0.78 4.02 -1.52 -1.26 -4.92 119.66 120.29 3irh s GLN 413 Ca 0.10 -1.79 -0.26 0.00 -1.95 0.00 0.00 55.36 51.46 3irh s GLN 413 Cb -0.14 -5.49 0.00 0.00 -0.22 0.00 0.00 33.01 27.16 3irh s GLN 413 CO 0.06 -2.35 1.65 0.20 -0.25 0.00 0.00 175.29 174.60 3irh s GLY 414 N 4.50 0.57 -0.99 3.09 0.00 -1.26 -4.92 107.32 108.32 3irh s GLY 414 Ca 0.53 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 3irh s GLY 414 CO 0.05 3.09 1.11 1.34 0.00 0.00 0.00 173.10 178.69 3irh n ASP 415 N 11.39 5.26 -4.67 1.64 2.03 -1.24 -5.05 116.55 125.91 3irh n ASP 415 Ca 0.22 -3.25 -0.42 0.00 0.52 0.00 0.00 54.79 51.86 3irh n ASP 415 Cb 0.50 -1.16 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 3irh n ASP 415 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3irh s GLU 416 N -1.99 4.20 0.04 -0.67 2.02 -1.26 -4.30 118.70 116.73 3irh s GLU 416 Ca 0.31 2.17 0.03 0.00 0.02 0.00 0.00 54.97 57.51 3irh s GLU 416 Cb -0.01 -3.87 -0.02 0.00 0.10 0.00 0.00 34.13 30.33 3irh s GLU 416 CO -0.02 -0.79 -0.10 1.03 0.02 0.00 0.00 175.26 175.39 3irh s ARG 417 N 3.62 0.68 -0.22 1.61 0.52 0.07 -1.80 118.95 123.43 3irh s ARG 417 Ca 0.72 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 55.15 3irh s ARG 417 Cb -0.34 -0.59 -0.02 0.00 0.52 0.00 0.00 34.95 34.52 3irh s ARG 417 CO 0.29 0.13 -0.01 0.12 0.02 0.00 0.00 175.30 175.86 3irh s PHE 418 N -1.05 3.00 0.00 -0.53 5.36 -0.29 -1.34 117.98 123.13 3irh s PHE 418 Ca -0.04 -0.74 -0.02 0.00 -0.96 0.00 0.00 56.93 55.18 3irh s PHE 418 Cb -0.08 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.42 3irh s PHE 418 CO 0.01 -0.45 0.17 0.71 -1.46 0.00 0.00 175.22 174.20 3irh s TYR 419 N 1.43 3.51 -0.01 10.12 1.51 0.30 -1.25 117.35 132.96 3irh s TYR 419 Ca 0.05 0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 56.15 3irh s TYR 419 Cb -0.14 -1.81 0.10 0.00 -0.11 0.00 0.00 41.96 40.00 3irh s TYR 419 CO -0.01 0.63 0.88 -0.59 -1.11 0.00 0.00 175.55 175.35 3irh s PHE 420 N -1.34 -0.35 0.28 2.71 -0.12 0.07 -2.04 117.98 117.19 3irh s PHE 420 Ca 0.28 0.24 -0.29 0.00 -0.05 0.00 0.00 56.93 57.10 3irh s PHE 420 Cb -0.13 0.53 -0.10 0.00 -0.63 0.00 0.00 43.02 42.70 3irh s PHE 420 CO 0.19 -0.55 1.41 -2.14 -0.05 0.00 0.00 175.22 174.09 3irh s PRO 421 N -3.05 4.27 0.40 1.99 0.02 -1.24 0.06 135.00 137.46 3irh s PRO 421 Ca 0.04 2.31 0.18 0.00 0.02 0.00 0.00 61.00 63.55 3irh s PRO 421 Cb -0.01 -3.08 1.08 0.00 0.02 0.00 0.00 34.50 32.51 3irh s PRO 421 CO -0.09 -0.37 1.80 -0.22 -0.33 0.00 0.00 177.00 177.79 3irh h LYS 422 N 4.41 0.40 -0.73 5.54 3.64 -1.90 -1.41 116.57 126.52 3irh h LYS 422 Ca -0.47 -0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.09 3irh h LYS 422 Cb 1.22 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3irh h LYS 422 CO 0.73 0.27 0.56 0.93 -2.27 0.00 0.00 179.45 179.67 3irh h GLU 423 N 0.42 0.00 0.00 1.90 3.07 -1.96 0.20 114.58 118.21 3irh h GLU 423 Ca 0.56 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3irh h GLU 423 Cb 1.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3irh h GLU 423 CO -0.26 0.00 -0.01 0.52 -1.40 0.00 0.00 179.01 177.86 3irh h MET 424 N 0.00 0.00 0.00 2.33 2.86 -1.63 -2.71 114.93 115.78 3irh h MET 424 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 3irh h MET 424 Cb 1.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.13 3irh h MET 424 CO -0.00 0.01 0.00 1.47 1.06 0.00 0.00 176.91 179.45 3irh n LEU 425 N -3.96 0.98 0.11 1.22 -0.00 -0.55 -4.55 117.00 110.25 3irh n LEU 425 Ca -0.03 -0.98 0.04 0.00 -0.00 0.00 0.00 56.01 55.04 3irh n LEU 425 Cb 0.09 0.00 0.45 0.00 -0.00 0.00 0.00 43.42 43.96 3irh n LEU 425 CO 0.29 0.25 1.01 -0.78 -0.00 0.00 0.00 177.39 178.15 3irh h ASP 426 N 0.00 0.26 0.04 1.45 1.82 -0.31 -3.37 116.42 116.31 3irh h ASP 426 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3irh h ASP 426 Cb 0.54 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 3irh h ASP 426 CO 0.00 0.30 -0.17 1.56 -1.61 0.00 0.00 179.24 179.32 3irh h GLN 427 N 0.29 -0.23 0.00 0.28 1.08 -1.85 -3.48 115.11 111.20 3irh h GLN 427 Ca 0.07 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3irh h GLN 427 Cb 0.17 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3irh h GLN 427 CO 0.00 -0.15 0.00 0.41 -0.95 0.00 0.00 178.83 178.14 3irh n GLY 428 N -1.15 1.29 3.36 3.46 0.00 -1.26 -4.82 105.19 106.07 3irh n GLY 428 Ca -0.03 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 3irh n GLY 428 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3irh s ASN 429 N -4.00 5.54 0.04 1.61 0.01 -1.26 -5.09 114.94 111.79 3irh s ASN 429 Ca 0.00 -0.93 -0.07 0.00 -0.71 0.00 0.00 52.86 51.15 3irh s ASN 429 Cb 0.00 -1.97 -0.05 0.00 0.41 0.00 0.00 41.25 39.64 3irh s ASN 429 CO 0.00 -0.32 0.31 -0.54 -1.51 0.00 0.00 177.10 175.03 3irh s LYS 430 N 1.52 3.63 0.08 -0.60 -0.14 -1.26 -5.02 119.74 117.95 3irh s LYS 430 Ca 0.02 -0.02 -0.21 0.00 -1.36 0.00 0.00 55.97 54.39 3irh s LYS 430 Cb -0.19 -3.04 -0.11 0.00 -1.68 0.00 0.00 37.83 32.81 3irh s LYS 430 CO 0.05 0.61 1.63 -0.22 -0.76 0.00 0.00 175.35 176.66 3irh h LYS 431 N 3.82 0.20 -5.77 1.68 1.63 -2.02 -3.44 116.57 112.67 3irh h LYS 431 Ca -0.49 -0.03 -0.51 0.00 -0.85 0.00 0.00 60.65 58.77 3irh h LYS 431 Cb 1.19 -0.03 -0.24 0.00 -0.60 0.00 0.00 32.23 32.55 3irh h LYS 431 CO 0.67 0.28 -0.81 -1.01 -3.45 0.00 0.00 179.45 175.13 3irh s HIS 432 N -5.60 1.54 -0.11 1.91 3.76 -1.26 -5.14 115.29 110.39 3irh s HIS 432 Ca -0.14 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 3irh s HIS 432 Cb 0.06 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 3irh s HIS 432 CO 0.69 0.10 -0.07 0.71 -0.85 0.00 0.00 174.74 175.32 3irh s TYR 433 N -1.00 2.94 0.45 1.40 2.02 -1.26 -5.03 117.35 116.87 3irh s TYR 433 Ca 0.04 -0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.58 3irh s TYR 433 Cb -0.09 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 3irh s TYR 433 CO 0.02 0.10 0.25 0.16 -1.57 0.00 0.00 175.55 174.51 3irh s ASP 434 N -0.17 4.55 0.00 2.29 1.47 -1.26 -4.99 116.67 118.56 3irh s ASP 434 Ca 0.02 -1.12 0.05 0.00 1.18 0.00 0.00 52.55 52.69 3irh s ASP 434 Cb -0.13 -0.19 0.31 0.00 -0.34 0.00 0.00 42.92 42.57 3irh s ASP 434 CO 0.03 -0.73 0.71 0.18 0.68 0.00 0.00 175.17 176.04 3irh n LEU 435 N -1.42 0.00 -0.12 2.11 4.77 -1.26 -1.33 117.00 119.74 3irh n LEU 435 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 3irh n LEU 435 Cb 0.64 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 3irh n LEU 435 CO 0.43 0.00 -1.33 0.33 -1.33 0.00 0.00 177.39 175.49 3irh n PHE 436 N -0.87 0.00 0.28 -1.77 7.35 -1.26 -4.26 117.46 116.93 3irh n PHE 436 Ca 0.04 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.90 3irh n PHE 436 Cb 0.02 -0.92 0.84 0.00 0.35 0.00 0.00 39.48 39.77 3irh n PHE 436 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3irh h ASP 437 N -0.45 0.00 0.39 -2.13 3.45 -1.62 -2.25 116.42 113.80 3irh h ASP 437 Ca -0.59 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.77 3irh h ASP 437 Cb 1.70 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.46 3irh h ASP 437 CO -0.24 0.00 -0.45 -0.08 -1.57 0.00 0.00 179.24 176.90 3irh h GLU 438 N 0.00 0.09 -0.49 3.56 4.57 -1.39 -3.08 114.58 117.84 3irh h GLU 438 Ca 0.00 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 3irh h GLU 438 Cb 0.11 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 3irh h GLU 438 CO 0.00 0.53 -0.02 1.15 -1.18 0.00 0.00 179.01 179.49 3irh h THR 439 N 0.07 1.25 -0.47 0.32 2.02 -1.60 -1.33 112.91 113.17 3irh h THR 439 Ca 0.00 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.03 3irh h THR 439 Cb 0.84 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3irh h THR 439 CO 0.06 0.37 -0.10 1.88 0.37 0.00 0.00 175.52 178.10 3irh h TYR 440 N 0.77 1.02 -0.15 3.16 0.05 -1.68 -0.93 116.97 119.21 3irh h TYR 440 Ca 0.15 -0.21 -0.18 0.00 0.05 0.00 0.00 58.73 58.53 3irh h TYR 440 Cb 0.49 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 3irh h TYR 440 CO 0.03 0.99 -0.66 -0.09 -1.05 0.00 0.00 178.16 177.37 3irh h ARG 441 N 0.75 0.56 -0.40 4.88 2.43 -1.53 -1.17 114.38 119.91 3irh h ARG 441 Ca 0.12 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.80 3irh h ARG 441 Cb 0.65 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3irh h ARG 441 CO 0.04 1.03 -0.08 1.49 -1.51 0.00 0.00 179.97 180.95 3irh h GLU 442 N 0.41 0.76 0.21 0.20 4.81 -1.20 -2.87 114.58 116.90 3irh h GLU 442 Ca -0.02 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3irh h GLU 442 Cb 1.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 3irh h GLU 442 CO 0.12 0.89 -0.27 0.35 -0.73 0.00 0.00 179.01 179.37 3irh h PHE 443 N 0.58 -0.71 -0.67 0.92 3.57 -1.02 -2.97 116.94 116.64 3irh h PHE 443 Ca 0.10 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.77 3irh h PHE 443 Cb 0.59 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 3irh h PHE 443 CO 0.05 -0.38 0.46 0.77 -2.23 0.00 0.00 178.31 176.98 3irh h SER 444 N -0.53 0.20 0.39 0.41 0.02 -1.21 -0.99 113.55 111.85 3irh h SER 444 Ca 0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3irh h SER 444 Cb 0.51 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3irh h SER 444 CO -0.10 0.10 0.00 -1.54 -1.14 0.00 0.00 176.83 174.16 3irh n SER 445 N -4.42 0.35 -0.76 3.07 3.41 -1.09 -1.11 113.62 113.07 3irh n SER 445 Ca 0.13 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 3irh n SER 445 Cb 0.59 -0.68 0.29 0.00 -0.26 0.00 0.00 64.21 64.15 3irh n SER 445 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3irh n TYR 446 N -1.91 0.38 -3.82 7.33 4.02 -0.37 -4.78 117.16 118.00 3irh n TYR 446 Ca 0.01 -0.19 -0.29 0.00 -0.01 0.00 0.00 57.90 57.43 3irh n TYR 446 Cb 0.13 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.29 3irh n TYR 446 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3irh s ILE 447 N -1.62 0.93 -0.23 -0.72 1.01 -0.27 0.18 121.20 120.48 3irh s ILE 447 Ca 0.33 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 3irh s ILE 447 Cb 0.18 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.36 3irh s ILE 447 CO 0.26 -0.14 -0.11 -2.28 0.00 0.00 0.00 174.94 172.67 3irh s HIS 448 N 1.68 3.01 -1.49 3.97 2.46 -0.14 -4.77 115.29 120.01 3irh s HIS 448 Ca -0.03 -1.69 -0.10 0.00 0.47 0.00 0.00 55.06 53.72 3irh s HIS 448 Cb -0.17 -1.99 0.07 0.00 -0.13 0.00 0.00 32.58 30.35 3irh s HIS 448 CO -0.07 -0.77 0.83 0.09 -2.47 0.00 0.00 174.74 172.34 3irh n ASN 449 N 4.62 -3.25 0.00 9.88 5.03 -1.26 -1.84 115.26 128.44 3irh n ASN 449 Ca -0.18 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.43 3irh n ASN 449 Cb 0.47 -3.69 0.00 0.00 -1.02 0.00 0.00 39.78 35.54 3irh n ASN 449 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3irh n GLY 450 N -1.66 0.56 3.13 7.41 0.00 -1.26 -5.02 105.19 108.34 3irh n GLY 450 Ca -0.08 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3irh n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irh s ALA 451 N -2.00 1.23 0.34 4.61 0.00 -0.77 -0.10 121.76 125.07 3irh s ALA 451 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 3irh s ALA 451 Cb 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 23.12 22.73 3irh s ALA 451 CO 0.00 0.28 1.42 1.28 0.00 0.00 0.00 175.76 178.74 3irh n LEU 452 N 2.44 4.08 -4.56 0.00 4.77 0.22 -0.96 117.00 122.98 3irh n LEU 452 Ca -0.15 1.20 -0.37 0.00 -0.03 0.00 0.00 56.01 56.66 3irh n LEU 452 Cb 0.55 -1.55 -0.11 0.00 -2.33 0.00 0.00 43.42 39.98 3irh n LEU 452 CO 0.24 -0.15 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.24 3irh s VAL 453 N -0.82 4.93 -1.28 4.08 1.01 0.13 -4.82 120.40 123.62 3irh s VAL 453 Ca 0.57 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 3irh s VAL 453 Cb -0.53 -3.31 0.10 0.00 0.00 0.00 0.00 36.38 32.64 3irh s VAL 453 CO 0.59 0.32 1.68 0.18 0.00 0.00 0.00 175.10 177.87 3irh n LEU 454 N 4.71 5.21 -4.80 3.92 4.77 -1.26 -4.84 117.00 124.71 3irh n LEU 454 Ca -0.15 -4.13 -0.25 0.00 -0.03 0.00 0.00 56.01 51.44 3irh n LEU 454 Cb 0.52 -1.69 -0.05 0.00 -2.33 0.00 0.00 43.42 39.86 3irh n LEU 454 CO 0.33 0.44 -0.21 -0.54 -1.33 0.00 0.00 177.39 176.07 3irh s LYS 455 N 3.16 2.87 0.00 3.23 1.02 -1.26 -5.09 119.74 123.68 3irh s LYS 455 Ca 0.49 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.56 3irh s LYS 455 Cb 0.03 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3irh s LYS 455 CO 0.04 0.46 0.00 0.36 -0.92 0.00 0.00 175.35 175.30