#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 2.61 0.20 1.12 2.01 -1.26 -5.01 115.64 115.32 3irh s THR 2 Ca 0.00 0.55 -0.25 0.00 0.31 0.00 0.00 61.69 62.30 3irh s THR 2 Cb 0.00 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 3irh s THR 2 CO 0.00 0.11 0.81 -0.63 -0.69 0.00 0.00 174.62 174.21 3irh s ILE 3 N -0.47 4.34 0.42 1.82 1.01 -1.26 -5.03 121.20 122.03 3irh s ILE 3 Ca 0.55 1.70 -0.27 0.00 0.00 0.00 0.00 60.65 62.64 3irh s ILE 3 Cb -0.42 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 37.85 3irh s ILE 3 CO 0.48 0.42 1.46 -2.65 0.00 0.00 0.00 174.94 174.66 3irh n PRO 4 N 1.31 2.46 -0.30 2.79 -0.02 -1.26 -4.82 135.00 135.16 3irh n PRO 4 Ca -0.04 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 3irh n PRO 4 Cb 0.49 -2.65 0.29 0.00 -0.02 0.00 0.00 33.50 31.61 3irh n PRO 4 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3irh h TYR 5 N 2.61 0.66 -0.94 6.00 3.20 -1.92 0.36 116.97 126.93 3irh h TYR 5 Ca -0.51 0.04 0.15 0.00 3.14 0.00 0.00 58.73 61.55 3irh h TYR 5 Cb 1.26 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 39.29 3irh h TYR 5 CO 0.51 -0.01 0.60 -0.22 -1.64 0.00 0.00 178.16 177.40 3irh h LYS 6 N 0.43 0.75 0.00 1.82 3.64 -1.86 -2.68 116.57 118.67 3irh h LYS 6 Ca 0.54 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3irh h LYS 6 Cb 0.99 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3irh h LYS 6 CO -0.50 0.50 -0.93 0.39 -2.27 0.00 0.00 179.45 176.63 3irh n GLU 7 N -4.60 0.12 -1.74 1.90 -0.58 0.02 -4.98 120.64 110.77 3irh n GLU 7 Ca 0.19 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.50 3irh n GLU 7 Cb 0.47 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 3irh n GLU 7 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3irh n GLN 8 N -1.67 2.65 -4.19 3.49 6.02 -0.62 -4.98 117.38 118.08 3irh n GLN 8 Ca 0.03 0.94 -0.19 0.00 -0.01 0.00 0.00 57.00 57.77 3irh n GLN 8 Cb 0.37 -2.71 -0.12 0.00 1.02 0.00 0.00 30.24 28.80 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 -0.64 0.87 0.43 -1.09 0.52 -1.26 -2.12 118.95 115.66 3irh s ARG 9 Ca 0.63 -0.99 -0.24 0.00 -0.52 0.00 0.00 55.73 54.61 3irh s ARG 9 Cb -0.50 -0.93 -0.08 0.00 0.52 0.00 0.00 34.95 33.96 3irh s ARG 9 CO 0.50 0.21 1.18 -0.51 0.02 0.00 0.00 175.30 176.70 3irh s LEU 10 N -1.77 4.12 0.19 2.53 1.43 0.12 -4.80 118.68 120.50 3irh s LEU 10 Ca -0.00 2.36 -0.13 0.00 -1.03 0.00 0.00 54.13 55.33 3irh s LEU 10 Cb -0.10 -4.10 0.20 0.00 0.03 0.00 0.00 46.19 42.21 3irh s LEU 10 CO 0.03 -0.80 1.72 -0.65 0.23 0.00 0.00 176.35 176.87 3irh h PRO 11 N 2.38 0.23 -5.82 1.29 0.11 -1.99 -3.41 132.00 124.80 3irh h PRO 11 Ca -0.49 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.11 3irh h PRO 11 Cb 1.24 -0.05 -0.21 0.00 0.11 0.00 0.00 31.00 32.09 3irh h PRO 11 CO 0.61 0.15 -0.81 0.96 -0.21 0.00 0.00 178.00 178.71 3irh s ILE 12 N -6.14 1.47 0.17 4.15 -4.36 -1.26 -5.12 121.20 110.10 3irh s ILE 12 Ca -0.13 -1.46 -0.32 0.00 -0.26 0.00 0.00 60.65 58.47 3irh s ILE 12 Cb 0.16 -1.37 -0.16 0.00 1.25 0.00 0.00 42.46 42.33 3irh s ILE 12 CO 0.73 -0.14 1.02 1.21 0.24 0.00 0.00 174.94 178.00 3irh n GLU 13 N 1.13 0.82 -3.69 0.37 2.13 -1.26 -4.98 120.64 115.16 3irh n GLU 13 Ca -0.20 0.29 -0.36 0.00 0.66 0.00 0.00 57.16 57.55 3irh n GLU 13 Cb 0.54 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.49 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 -0.56 4.02 -0.09 5.31 2.20 0.35 -4.95 119.74 126.01 3irh s LYS 14 Ca 0.72 -0.06 0.04 0.00 -0.36 0.00 0.00 55.97 56.32 3irh s LYS 14 Cb -0.91 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.06 3irh s LYS 14 CO 0.54 0.42 -0.24 0.14 -0.36 0.00 0.00 175.35 175.85 3irh s VAL 15 N -0.03 2.05 -0.25 4.02 -7.23 -1.26 -0.10 120.40 117.60 3irh s VAL 15 Ca 0.13 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.24 3irh s VAL 15 Cb -0.12 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.06 3irh s VAL 15 CO 0.02 0.56 -0.01 -0.36 -0.31 0.00 0.00 175.10 175.00 3irh s PHE 16 N 0.26 3.04 0.09 2.82 0.40 -0.15 -4.94 117.98 119.50 3irh s PHE 16 Ca -0.16 -1.10 -0.32 0.00 -0.60 0.00 0.00 56.93 54.75 3irh s PHE 16 Cb -0.17 -2.13 -0.12 0.00 0.51 0.00 0.00 43.02 41.11 3irh s PHE 16 CO 0.08 -0.60 1.79 -2.13 0.70 0.00 0.00 175.22 175.07 3irh n ARG 17 N 4.78 2.54 -4.11 0.44 3.00 -1.26 -0.30 116.66 121.75 3irh n ARG 17 Ca -0.17 0.93 -0.25 0.00 -0.00 0.00 0.00 57.85 58.36 3irh n ARG 17 Cb 0.49 -2.79 -0.17 0.00 0.00 0.00 0.00 32.46 30.00 3irh n ARG 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3irh s ASP 18 N 2.61 1.84 0.49 6.15 2.15 -0.08 -4.87 116.67 124.96 3irh s ASP 18 Ca 0.83 -0.25 0.20 0.00 0.43 0.00 0.00 52.55 53.76 3irh s ASP 18 Cb -0.56 -0.74 1.24 0.00 -0.30 0.00 0.00 42.92 42.55 3irh s ASP 18 CO 0.40 -0.08 2.06 1.55 -0.17 0.00 0.00 175.17 178.93 3irh h PRO 19 N 7.73 0.00 0.02 4.34 0.13 -1.94 0.21 132.00 142.48 3irh h PRO 19 Ca -0.30 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.70 3irh h PRO 19 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3irh h PRO 19 CO 0.42 0.13 -0.66 0.28 -0.23 0.00 0.00 178.00 177.94 3irh h VAL 20 N 0.00 1.37 -0.47 1.56 2.07 -1.97 -3.39 116.25 115.43 3irh h VAL 20 Ca -0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3irh h VAL 20 Cb 0.27 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3irh h VAL 20 CO 0.02 0.51 0.00 1.41 0.02 0.00 0.00 177.57 179.52 3irh n HIS 21 N -4.45 0.61 0.00 1.57 8.25 -1.22 -4.99 115.22 114.99 3irh n HIS 21 Ca -0.20 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3irh n HIS 21 Cb 0.61 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 1.31 0.00 -4.04 0.41 2.85 0.73 -4.74 115.26 111.78 3irh n ASN 22 Ca 0.19 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.48 3irh n ASN 22 Cb 0.56 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.44 3irh n ASN 22 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3irh s TYR 23 N 0.00 0.82 -0.22 1.20 1.51 -1.26 -0.90 117.35 118.50 3irh s TYR 23 Ca 0.00 -0.24 -0.13 0.00 -1.01 0.00 0.00 57.07 55.68 3irh s TYR 23 Cb 0.00 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 3irh s TYR 23 CO 0.00 -0.01 0.29 0.42 -1.11 0.00 0.00 175.55 175.13 3irh s ILE 24 N -0.54 5.28 -0.19 2.71 -1.09 0.59 -4.86 121.20 123.09 3irh s ILE 24 Ca 0.00 0.47 -0.06 0.00 -2.23 0.00 0.00 60.65 58.83 3irh s ILE 24 Cb -0.05 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3irh s ILE 24 CO 0.00 0.30 0.03 -1.00 -1.23 0.00 0.00 174.94 173.05 3irh s HIS 25 N 1.14 3.14 -0.12 3.97 3.76 -1.26 -0.97 115.29 124.94 3irh s HIS 25 Ca 0.14 -0.16 0.03 0.00 -0.15 0.00 0.00 55.06 54.91 3irh s HIS 25 Cb -0.14 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.47 3irh s HIS 25 CO 0.06 -0.03 -0.21 0.08 -0.85 0.00 0.00 174.74 173.78 3irh s VAL 26 N 0.68 1.97 0.00 -0.90 1.01 0.86 -4.98 120.40 119.04 3irh s VAL 26 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3irh s VAL 26 Cb -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3irh s VAL 26 CO 0.02 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.65 3irh n GLN 27 N 3.93 2.45 -2.97 2.72 6.02 -1.26 -0.50 117.38 127.77 3irh n GLN 27 Ca -0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.39 3irh n GLN 27 Cb 0.52 -0.96 -0.05 0.00 1.02 0.00 0.00 30.24 30.77 3irh n GLN 27 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3irh s HIS 28 N -1.92 3.69 0.32 1.08 3.76 -1.26 -0.70 115.29 120.26 3irh s HIS 28 Ca 0.00 1.44 0.04 0.00 -0.15 0.00 0.00 55.06 56.39 3irh s HIS 28 Cb 0.00 -2.85 0.65 0.00 1.11 0.00 0.00 32.58 31.49 3irh s HIS 28 CO 0.00 0.19 1.90 0.37 -0.85 0.00 0.00 174.74 176.35 3irh h GLN 29 N 6.08 0.86 -0.09 1.40 5.75 -1.74 -1.83 115.11 125.54 3irh h GLN 29 Ca -0.43 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.03 3irh h GLN 29 Cb 1.20 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 3irh h GLN 29 CO 0.72 0.57 0.04 0.28 -2.65 0.00 0.00 178.83 177.79 3irh h VAL 30 N 0.88 0.98 -0.33 2.39 2.07 -1.82 -0.33 116.25 120.10 3irh h VAL 30 Ca 0.41 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.90 3irh h VAL 30 Cb 0.39 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3irh h VAL 30 CO -0.17 0.02 0.20 0.40 0.02 0.00 0.00 177.57 178.04 3irh h ILE 31 N 0.08 1.10 -0.30 4.57 1.08 -1.86 0.08 117.51 122.26 3irh h ILE 31 Ca 0.04 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.32 3irh h ILE 31 Cb 0.02 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 3irh h ILE 31 CO -0.04 0.10 0.08 0.25 -0.69 0.00 0.00 178.15 177.85 3irh h LEU 32 N 0.43 0.05 -0.75 1.44 5.85 -1.09 -1.27 115.31 119.97 3irh h LEU 32 Ca 0.12 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3irh h LEU 32 Cb -0.01 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3irh h LEU 32 CO -0.02 0.06 0.48 0.44 -0.34 0.00 0.00 178.44 179.06 3irh h ASP 33 N 0.19 0.80 -0.79 1.25 5.19 -0.70 -2.08 116.42 120.27 3irh h ASP 33 Ca 0.14 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 3irh h ASP 33 Cb 0.13 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.43 3irh h ASP 33 CO -0.17 0.55 0.35 -0.07 -3.12 0.00 0.00 179.24 176.79 3irh h LEU 34 N 0.94 1.06 -0.99 1.55 3.38 -0.63 -1.78 115.31 118.85 3irh h LEU 34 Ca 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3irh h LEU 34 Cb -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3irh h LEU 34 CO -0.10 0.92 0.50 0.40 0.09 0.00 0.00 178.44 180.24 3irh h ILE 35 N 1.13 1.25 0.00 1.22 2.04 -0.84 -2.77 117.51 119.54 3irh h ILE 35 Ca 0.27 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3irh h ILE 35 Cb 0.16 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3irh h ILE 35 CO -0.03 0.27 0.00 0.59 0.00 0.00 0.00 178.15 178.98 3irh n ASN 36 N -4.35 0.43 -4.76 1.72 3.02 -0.82 -4.20 115.26 106.31 3irh n ASN 36 Ca 0.09 0.55 -0.36 0.00 -0.03 0.00 0.00 54.58 54.84 3irh n ASN 36 Cb 0.08 -0.66 0.03 0.00 -0.61 0.00 0.00 39.78 38.62 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 -3.81 5.29 0.27 6.41 1.04 -0.70 -4.79 113.70 117.41 3irh s SER 37 Ca 0.11 2.35 -0.00 0.00 0.48 0.00 0.00 55.95 58.88 3irh s SER 37 Cb 0.14 -2.60 0.59 0.00 0.10 0.00 0.00 66.02 64.26 3irh s SER 37 CO 0.52 -1.52 1.71 0.00 0.98 0.00 0.00 173.24 174.92 3irh h ALA 38 N 0.94 1.23 -0.12 5.32 0.00 -1.91 -0.44 119.26 124.27 3irh h ALA 38 Ca -0.50 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3irh h ALA 38 Cb 1.29 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3irh h ALA 38 CO 0.55 -0.29 -0.51 0.93 0.00 0.00 0.00 179.25 179.94 3irh h GLU 39 N 0.40 0.33 0.15 0.00 3.07 -1.92 -2.15 114.58 114.46 3irh h GLU 39 Ca 0.49 -0.20 -0.28 0.00 -0.50 0.00 0.00 59.36 58.87 3irh h GLU 39 Cb 0.85 0.02 0.03 0.00 -0.84 0.00 0.00 28.75 28.81 3irh h GLU 39 CO -0.49 0.77 -1.21 0.28 -1.40 0.00 0.00 179.01 176.96 3irh h VAL 40 N 0.26 1.32 -0.56 3.13 2.07 -1.72 -3.29 116.25 117.47 3irh h VAL 40 Ca 0.01 -2.51 0.09 0.00 0.82 0.00 0.00 66.70 65.11 3irh h VAL 40 Cb 0.99 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 3irh h VAL 40 CO 0.08 0.75 0.38 1.56 0.02 0.00 0.00 177.57 180.36 3irh h GLN 41 N 0.12 0.36 0.00 1.57 1.08 -0.95 -1.36 115.11 115.93 3irh h GLN 41 Ca -0.19 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3irh h GLN 41 Cb 1.91 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 29.26 3irh h GLN 41 CO 0.23 0.24 -0.01 -0.09 -0.95 0.00 0.00 178.83 178.25 3irh h ARG 42 N 0.37 0.00 0.00 1.46 2.43 -1.46 -2.04 114.38 115.14 3irh h ARG 42 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3irh h ARG 42 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3irh h ARG 42 CO -0.07 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.68 3irh n LEU 43 N -3.51 0.69 0.28 3.80 4.77 -0.51 -2.54 117.00 119.99 3irh n LEU 43 Ca -0.03 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 3irh n LEU 43 Cb 0.09 -0.48 0.83 0.00 -2.33 0.00 0.00 43.42 41.54 3irh n LEU 43 CO 0.25 -0.40 1.08 0.03 -1.33 0.00 0.00 177.39 177.02 3irh h ARG 44 N 0.00 0.00 -0.52 3.23 3.08 -1.53 -2.37 114.38 116.27 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 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3irh h ARG 44 CO 0.00 0.03 0.00 0.54 -1.07 0.00 0.00 179.97 179.47 3irh n ARG 45 N -3.91 3.00 -4.27 0.04 1.74 -1.05 -4.83 116.66 107.38 3irh n ARG 45 Ca -0.03 -2.47 -0.31 0.00 -0.77 0.00 0.00 57.85 54.26 3irh n ARG 45 Cb 0.12 -1.53 -0.16 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.32 1.82 0.20 0.55 1.01 -1.14 -2.70 121.20 119.61 3irh s ILE 46 Ca 0.38 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 3irh s ILE 46 Cb 0.22 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.95 3irh s ILE 46 CO 0.22 0.50 1.31 -0.54 0.00 0.00 0.00 174.94 176.44 3irh s LYS 47 N 1.20 4.38 0.24 2.79 1.02 -1.26 -1.40 119.74 126.71 3irh s LYS 47 Ca 0.00 2.06 -0.06 0.00 0.02 0.00 0.00 55.97 57.99 3irh s LYS 47 Cb -0.14 -3.20 0.28 0.00 -0.52 0.00 0.00 37.83 34.25 3irh s LYS 47 CO -0.08 -0.26 1.90 0.37 -0.92 0.00 0.00 175.35 176.35 3irh h GLN 48 N 5.42 1.15 -0.36 1.68 5.75 -1.28 -3.28 115.11 124.19 3irh h GLN 48 Ca -0.45 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 3irh h GLN 48 Cb 1.21 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.50 3irh h GLN 48 CO 0.77 0.76 0.00 1.28 -2.65 0.00 0.00 178.83 179.00 3irh n LEU 49 N -4.49 2.98 0.00 -2.39 4.77 -1.26 -4.98 117.00 111.63 3irh n LEU 49 Ca 0.12 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.07 3irh n LEU 49 Cb 0.07 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3irh n LEU 49 CO 0.35 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 3irh n GLY 50 N 0.52 1.17 0.32 -0.72 0.00 -1.24 -1.62 105.19 103.63 3irh n GLY 50 Ca 0.12 0.55 0.14 0.00 0.00 0.00 0.00 46.02 46.83 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 0.20 2.61 -2.24 -1.26 -4.13 114.28 109.46 3irh n THR 51 Ca 0.00 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 3irh n THR 51 Cb 0.00 0.36 0.68 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.59 0.00 -0.02 3.42 0.02 -1.62 -2.45 113.55 114.50 3irh h SER 52 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3irh h SER 52 Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3irh h SER 52 CO 0.00 0.00 0.03 0.77 -1.14 0.00 0.00 176.83 176.49 3irh h SER 53 N 0.00 0.00 0.84 3.07 4.64 -1.72 0.66 113.55 121.03 3irh h SER 53 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3irh h SER 53 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3irh h SER 53 CO -0.00 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.70 3irh h PHE 54 N 0.00 0.00 0.00 4.77 -1.00 -1.75 -3.07 116.94 115.89 3irh h PHE 54 Ca 0.01 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.61 3irh h PHE 54 Cb 0.07 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 3irh h PHE 54 CO 0.00 0.00 -1.65 2.41 -1.61 0.00 0.00 178.31 177.46 3irh n THR 55 N -2.57 0.65 -3.80 -1.55 -1.04 -0.30 -4.85 114.28 100.81 3irh n THR 55 Ca 0.01 -0.23 -0.35 0.00 -2.04 0.00 0.00 64.05 61.45 3irh n THR 55 Cb 0.26 -1.06 -0.11 0.00 -1.82 0.00 0.00 70.33 67.59 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 -2.22 3.43 -0.53 -1.42 0.08 0.07 -4.99 117.98 112.39 3irh s PHE 56 Ca -0.16 -2.77 0.18 0.00 0.12 0.00 0.00 56.93 54.30 3irh s PHE 56 Cb 0.04 -3.10 0.85 0.00 -0.57 0.00 0.00 43.02 40.24 3irh s PHE 56 CO 0.25 -0.86 1.55 -2.39 -0.10 0.00 0.00 175.22 173.68 3irh n HIS 57 N 3.70 0.55 0.46 0.36 1.44 -1.16 -1.32 115.22 119.25 3irh n HIS 57 Ca 0.05 0.25 0.13 0.00 -2.01 0.00 0.00 57.72 56.14 3irh n HIS 57 Cb 0.38 -0.90 0.44 0.00 0.12 0.00 0.00 29.99 30.03 3irh n HIS 57 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 3irh h GLY 58 N 1.17 0.00 -4.08 -1.39 0.00 -1.83 -3.40 103.07 93.53 3irh h GLY 58 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3irh h GLY 58 CO 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.38 3irh n ALA 59 N -1.85 4.91 -0.41 3.60 0.00 -0.44 -4.36 120.51 121.96 3irh n ALA 59 Ca 0.04 -1.21 0.12 0.00 0.00 0.00 0.00 53.44 52.39 3irh n ALA 59 Cb 0.36 -2.15 0.33 0.00 0.00 0.00 0.00 19.45 18.00 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 2.47 2.85 -2.10 0.00 -0.58 -1.26 -4.41 120.64 117.60 3irh n GLU 60 Ca 0.28 -2.71 -0.36 0.00 -0.42 0.00 0.00 57.16 53.95 3irh n GLU 60 Cb 0.66 -1.62 0.02 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.09 2.55 0.45 -0.32 -3.43 -1.26 -4.87 115.29 107.31 3irh s HIS 61 Ca 0.50 1.51 0.04 0.00 -0.80 0.00 0.00 55.06 56.32 3irh s HIS 61 Cb 0.27 -3.45 0.01 0.00 -1.43 0.00 0.00 32.58 27.98 3irh s HIS 61 CO 0.33 -1.99 0.64 -1.54 -2.00 0.00 0.00 174.74 170.18 3irh s SER 62 N -1.52 5.61 0.30 7.38 1.04 -1.26 -1.01 113.70 124.23 3irh s SER 62 Ca 0.73 -0.15 0.10 0.00 0.48 0.00 0.00 55.95 57.11 3irh s SER 62 Cb -0.29 -0.95 0.47 0.00 0.10 0.00 0.00 66.02 65.35 3irh s SER 62 CO 0.33 -0.83 1.68 0.03 0.98 0.00 0.00 173.24 175.44 3irh h ARG 63 N 0.46 0.03 -0.06 4.02 3.08 -1.04 -2.86 114.38 118.02 3irh h ARG 63 Ca -0.43 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.64 3irh h ARG 63 Cb 1.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.29 3irh h ARG 63 CO 0.50 0.55 -0.18 0.35 -1.07 0.00 0.00 179.97 180.13 3irh h PHE 64 N 0.03 -0.46 -0.03 3.04 3.57 -1.69 0.70 116.94 122.09 3irh h PHE 64 Ca -0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 3irh h PHE 64 Cb 0.94 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3irh h PHE 64 CO 0.00 -0.25 -0.58 0.66 -2.23 0.00 0.00 178.31 175.91 3irh h SER 65 N -0.26 0.10 -0.75 0.41 4.64 -1.85 -1.30 113.55 114.55 3irh h SER 65 Ca 0.07 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3irh h SER 65 Cb 0.36 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3irh h SER 65 CO -0.21 0.66 0.25 -0.74 -0.87 0.00 0.00 176.83 175.92 3irh h HIS 66 N 0.07 1.18 -0.26 4.77 -0.00 -1.39 -1.34 115.15 118.18 3irh h HIS 66 Ca -0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 3irh h HIS 66 Cb 1.04 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 3irh h HIS 66 CO 0.01 0.92 0.12 0.77 -0.00 0.00 0.00 177.93 179.75 3irh h SER 67 N 1.10 0.34 -0.89 3.26 0.02 -0.16 0.11 113.55 117.33 3irh h SER 67 Ca 0.24 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3irh h SER 67 Cb 0.28 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 3irh h SER 67 CO -0.01 0.39 0.58 -0.07 -1.14 0.00 0.00 176.83 176.58 3irh h LEU 68 N 0.28 0.94 -0.28 5.07 3.38 -1.29 -0.83 115.31 122.57 3irh h LEU 68 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3irh h LEU 68 Cb 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3irh h LEU 68 CO -0.01 0.63 0.18 1.23 0.09 0.00 0.00 178.44 180.56 3irh h GLY 69 N 1.08 0.40 0.97 0.83 0.00 -0.72 -0.81 103.07 104.83 3irh h GLY 69 Ca 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 3irh h GLY 69 CO -0.12 0.15 0.05 -2.08 0.00 0.00 0.00 176.54 174.55 3irh h VAL 70 N 0.38 1.25 -0.82 4.60 2.07 -0.67 -2.26 116.25 120.79 3irh h VAL 70 Ca 0.10 -0.95 0.11 0.00 0.82 0.00 0.00 66.70 66.78 3irh h VAL 70 Cb -0.02 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3irh h VAL 70 CO -0.02 0.33 0.45 0.22 0.02 0.00 0.00 177.57 178.57 3irh h TYR 71 N 0.63 0.82 -0.40 1.57 3.20 -0.98 -1.97 116.97 119.84 3irh h TYR 71 Ca 0.14 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 3irh h TYR 71 Cb 0.42 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3irh h TYR 71 CO 0.03 0.30 -0.13 1.49 -1.64 0.00 0.00 178.16 178.21 3irh h GLU 72 N 0.73 0.79 -0.55 1.82 4.57 -0.70 0.52 114.58 121.77 3irh h GLU 72 Ca 0.41 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3irh h GLU 72 Cb 0.44 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 3irh h GLU 72 CO -0.28 0.94 0.22 0.82 -1.18 0.00 0.00 179.01 179.52 3irh h ILE 73 N 0.60 1.22 -0.15 2.32 2.04 -1.29 -1.13 117.51 121.12 3irh h ILE 73 Ca 0.10 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3irh h ILE 73 Cb 0.66 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3irh h ILE 73 CO 0.05 0.26 0.04 0.74 0.00 0.00 0.00 178.15 179.24 3irh h THR 74 N 0.74 0.95 -0.44 -0.27 2.02 -1.15 0.14 112.91 114.91 3irh h THR 74 Ca 0.18 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 67.40 3irh h THR 74 Cb 0.20 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 3irh h THR 74 CO -0.01 0.02 0.06 -0.09 0.37 0.00 0.00 175.52 175.86 3irh h ARG 75 N 0.11 0.18 -0.96 6.66 2.43 -0.73 0.23 114.38 122.29 3irh h ARG 75 Ca 0.07 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3irh h ARG 75 Cb 0.05 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3irh h ARG 75 CO -0.08 0.12 0.64 0.00 -1.51 0.00 0.00 179.97 179.14 3irh h ARG 76 N 0.18 1.25 -0.00 0.20 3.08 -0.72 -2.21 114.38 116.15 3irh h ARG 76 Ca 0.22 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3irh h ARG 76 Cb 0.29 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3irh h ARG 76 CO -0.31 0.82 0.00 0.82 -1.07 0.00 0.00 179.97 180.24 3irh h ILE 77 N 1.28 1.24 -0.99 2.04 2.04 0.21 -2.64 117.51 120.70 3irh h ILE 77 Ca 0.36 -0.71 0.14 0.00 1.00 0.00 0.00 64.86 65.64 3irh h ILE 77 Cb -0.11 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 3irh h ILE 77 CO -0.09 0.19 0.61 0.00 0.00 0.00 0.00 178.15 178.86 3irh h GLU 79 N 0.91 0.10 -0.10 0.00 4.81 -1.36 0.10 114.58 119.04 3irh h GLU 79 Ca 0.51 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.73 3irh h GLU 79 Cb 0.59 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3irh h GLU 79 CO -0.30 0.34 -0.03 0.82 -0.73 0.00 0.00 179.01 179.11 3irh h ILE 80 N -0.15 0.89 -0.59 2.32 2.04 -1.06 -0.23 117.51 120.73 3irh h ILE 80 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 3irh h ILE 80 Cb 0.29 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 3irh h ILE 80 CO 0.00 0.00 0.11 -0.26 0.00 0.00 0.00 178.15 178.00 3irh h PHE 81 N -0.01 0.17 -0.18 1.37 0.05 -0.87 0.77 116.94 118.24 3irh h PHE 81 Ca 0.05 0.04 -0.14 0.00 3.82 0.00 0.00 57.97 61.74 3irh h PHE 81 Cb 0.09 0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.05 3irh h PHE 81 CO -0.15 -0.04 -0.44 0.37 -0.18 0.00 0.00 178.31 177.86 3irh h GLN 82 N 0.24 0.62 -0.46 1.51 5.75 -0.40 0.23 115.11 122.59 3irh h GLN 82 Ca 0.31 -0.42 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 3irh h GLN 82 Cb 0.46 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 3irh h GLN 82 CO -0.41 1.04 0.00 0.00 -2.65 0.00 0.00 178.83 176.81 3irh h ARG 83 N 0.29 0.81 0.00 1.69 3.08 -0.88 -3.36 114.38 116.00 3irh h ARG 83 Ca -0.00 -0.26 -0.24 0.00 0.07 0.00 0.00 59.98 59.55 3irh h ARG 83 Cb 1.05 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 3irh h ARG 83 CO 0.10 0.87 -1.91 0.09 -1.07 0.00 0.00 179.97 178.04 3irh n ASN 84 N -4.37 1.78 -2.54 7.04 3.02 0.25 -4.80 115.26 115.64 3irh n ASN 84 Ca 0.00 -0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 3irh n ASN 84 Cb 0.30 0.77 0.03 0.00 -0.61 0.00 0.00 39.78 40.27 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 -2.52 2.03 -1.51 3.10 4.02 0.76 -5.03 117.16 118.01 3irh n TYR 85 Ca -0.22 -2.58 -0.30 0.00 -0.01 0.00 0.00 57.90 54.80 3irh n TYR 85 Cb 0.93 -0.26 0.11 0.00 -0.02 0.00 0.00 39.34 40.09 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 -3.50 4.18 0.44 7.72 1.04 -1.01 -0.31 113.70 122.25 3irh s SER 86 Ca 0.37 1.26 0.17 0.00 0.48 0.00 0.00 55.95 58.23 3irh s SER 86 Cb 0.40 -1.96 1.01 0.00 0.10 0.00 0.00 66.02 65.57 3irh s SER 86 CO -0.03 -2.16 1.95 0.58 0.98 0.00 0.00 173.24 174.55 3irh h VAL 87 N -1.22 1.03 0.00 5.02 2.07 -1.66 -1.29 116.25 120.19 3irh h VAL 87 Ca -0.48 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3irh h VAL 87 Cb 1.28 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3irh h VAL 87 CO 0.59 0.23 0.06 -0.62 0.02 0.00 0.00 177.57 177.86 3irh n GLU 88 N -4.06 0.00 0.00 1.57 4.71 -1.26 -1.98 120.64 119.61 3irh n GLU 88 Ca -0.02 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 3irh n GLU 88 Cb 0.30 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 3irh n GLU 88 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 3irh n ARG 89 N -1.29 2.58 -0.00 3.49 1.85 -1.09 -4.95 116.66 117.25 3irh n ARG 89 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 3irh n ARG 89 Cb 0.06 -0.21 -0.03 0.00 -1.05 0.00 0.00 32.46 31.23 3irh n ARG 89 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3irh n LEU 90 N 0.00 0.10 0.00 2.89 4.77 -0.51 -5.03 117.00 119.22 3irh n LEU 90 Ca 0.00 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3irh n LEU 90 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3irh n LEU 90 CO 0.00 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3irh n GLY 91 N 1.65 2.89 0.11 -0.72 0.00 -0.84 -3.15 105.19 105.13 3irh n GLY 91 Ca 0.00 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.89 3irh n GLY 91 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3irh n GLU 92 N 13.30 0.12 0.00 1.61 0.00 -1.26 -1.29 120.64 133.12 3irh n GLU 92 Ca 0.00 0.50 0.12 0.00 0.00 0.00 0.00 57.16 57.77 3irh n GLU 92 Cb 0.00 -1.80 0.08 0.00 0.00 0.00 0.00 31.44 29.71 3irh n GLU 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3irh n ASN 93 N -2.04 2.76 -4.20 -1.84 3.02 -1.19 -3.62 115.26 108.14 3irh n ASN 93 Ca 0.01 -1.88 -0.19 0.00 -0.03 0.00 0.00 54.58 52.49 3irh n ASN 93 Cb 0.11 0.10 0.09 0.00 -0.61 0.00 0.00 39.78 39.48 3irh n ASN 93 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3irh n GLY 94 N 1.34 0.86 3.45 7.41 0.00 -0.41 -3.45 105.19 114.38 3irh n GLY 94 Ca 0.13 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 3irh n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3irh s TRP 95 N -2.49 3.04 -0.33 1.61 -0.11 0.57 -4.67 118.94 116.57 3irh s TRP 95 Ca 0.55 -0.46 -0.20 0.00 1.22 0.00 0.00 56.10 57.21 3irh s TRP 95 Cb -0.03 -2.10 -0.00 0.00 -1.50 0.00 0.00 33.47 29.84 3irh s TRP 95 CO 0.36 -0.25 0.63 1.21 -4.62 0.00 0.00 176.95 174.29 3irh s ASN 96 N 1.04 6.46 0.00 5.86 2.47 -1.26 -2.04 114.94 127.47 3irh s ASN 96 Ca 0.02 0.29 0.00 0.00 0.42 0.00 0.00 52.86 53.59 3irh s ASN 96 Cb -0.14 -2.33 0.01 0.00 -1.45 0.00 0.00 41.25 37.33 3irh s ASN 96 CO 0.02 -0.53 1.01 -0.67 -3.72 0.00 0.00 177.10 173.20 3irh n ASP 97 N 5.96 0.03 0.27 -4.21 4.64 -1.26 -2.38 116.55 119.59 3irh n ASP 97 Ca -0.01 -2.00 0.16 0.00 -1.38 0.00 0.00 54.79 51.56 3irh n ASP 97 Cb 0.49 -0.00 0.70 0.00 -1.04 0.00 0.00 41.12 41.26 3irh n ASP 97 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 3irh h ASP 98 N 0.03 0.00 0.68 1.67 5.19 -2.04 -3.23 116.42 118.71 3irh h ASP 98 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3irh h ASP 98 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3irh h ASP 98 CO 0.00 0.06 -0.53 -0.62 -3.12 0.00 0.00 179.24 175.03 3irh n GLU 99 N -3.21 0.12 -0.20 3.56 -0.58 -1.00 -4.41 120.64 114.91 3irh n GLU 99 Ca -0.00 0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 3irh n GLU 99 Cb 0.30 -1.58 -0.08 0.00 -0.57 0.00 0.00 31.44 29.52 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 -0.56 3.49 2.43 -1.77 -0.89 114.38 116.81 3irh h ARG 100 Ca 0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3irh h ARG 100 Cb 0.60 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 3irh h ARG 100 CO 0.00 -0.19 0.30 1.25 -1.51 0.00 0.00 179.97 179.82 3irh h LEU 101 N -0.29 0.71 -0.83 3.80 5.85 -1.86 0.47 115.31 123.16 3irh h LEU 101 Ca 0.12 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3irh h LEU 101 Cb 0.56 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3irh h LEU 101 CO -0.67 0.61 0.42 -0.29 -0.34 0.00 0.00 178.44 178.17 3irh h ILE 102 N 0.76 1.25 -0.61 4.05 2.10 -1.78 -0.52 117.51 122.75 3irh h ILE 102 Ca 0.20 -0.68 -0.08 0.00 1.08 0.00 0.00 64.86 65.38 3irh h ILE 102 Cb 0.07 0.17 -0.02 0.00 -1.09 0.00 0.00 36.82 35.94 3irh h ILE 102 CO -0.03 0.30 0.07 0.74 -1.08 0.00 0.00 178.15 178.14 3irh h THR 103 N 1.17 1.26 -0.26 2.19 2.02 -0.48 -1.73 112.91 117.08 3irh h THR 103 Ca 0.29 -1.04 -0.12 0.00 0.77 0.00 0.00 66.41 66.31 3irh h THR 103 Cb 0.08 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3irh h THR 103 CO -0.04 0.38 -0.31 -0.07 0.37 0.00 0.00 175.52 175.86 3irh h LEU 104 N 0.95 0.72 -0.09 2.58 3.38 -0.56 -1.21 115.31 121.08 3irh h LEU 104 Ca 0.18 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3irh h LEU 104 Cb 0.46 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3irh h LEU 104 CO 0.02 1.07 0.05 0.00 0.09 0.00 0.00 178.44 179.66 3irh h ALA 106 N 0.95 0.61 -0.44 0.00 0.00 -1.26 0.01 119.26 119.13 3irh h ALA 106 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3irh h ALA 106 Cb 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3irh h ALA 106 CO -0.01 -0.22 0.28 0.00 0.00 0.00 0.00 179.25 179.30 3irh h ALA 107 N 1.34 0.56 -0.31 0.00 0.00 -1.04 -0.64 119.26 119.17 3irh h ALA 107 Ca 0.24 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3irh h ALA 107 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3irh h ALA 107 CO -0.25 0.03 -0.18 1.25 0.00 0.00 0.00 179.25 180.10 3irh h LEU 108 N 0.59 0.56 -1.88 0.00 5.85 -0.86 -3.24 115.31 116.33 3irh h LEU 108 Ca 0.16 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3irh h LEU 108 Cb -0.04 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3irh h LEU 108 CO -0.03 0.75 0.00 0.18 -0.34 0.00 0.00 178.44 179.00 3irh n LEU 109 N -4.16 2.86 0.12 2.25 4.77 -0.04 -4.59 117.00 118.22 3irh n LEU 109 Ca 0.00 -1.10 0.05 0.00 -0.03 0.00 0.00 56.01 54.93 3irh n LEU 109 Cb 0.37 -0.11 0.50 0.00 -2.33 0.00 0.00 43.42 41.86 3irh n LEU 109 CO 0.42 0.55 1.08 1.12 -1.33 0.00 0.00 177.39 179.23 3irh h HIS 110 N 4.07 0.27 -0.37 -1.77 2.07 -1.15 -2.55 115.15 115.72 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 0.88 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.77 3irh h HIS 110 CO 0.11 0.20 0.00 -0.25 -3.07 0.00 0.00 177.93 174.92 3irh n ASP 111 N -4.47 3.77 0.28 3.10 8.00 -1.26 -4.69 116.55 121.28 3irh n ASP 111 Ca 0.00 -2.55 0.15 0.00 0.71 0.00 0.00 54.79 53.10 3irh n ASP 111 Cb 0.10 -0.45 0.81 0.00 -0.02 0.00 0.00 41.12 41.57 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 2.36 0.36 -0.25 2.53 3.04 -1.76 -2.26 116.25 120.27 3irh h VAL 112 Ca 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3irh h VAL 112 Cb 1.21 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 3irh h VAL 112 CO 0.16 0.07 0.00 0.61 -1.01 0.00 0.00 177.57 177.40 3irh n GLY 113 N -0.63 0.60 3.75 3.17 0.00 -1.26 -4.84 105.19 105.98 3irh n GLY 113 Ca -0.02 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.67 3.35 0.00 1.61 3.76 -0.85 -4.48 115.29 117.01 3irh s HIS 114 Ca 0.32 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.72 3irh s HIS 114 Cb 0.17 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.39 3irh s HIS 114 CO 0.25 -1.25 0.00 0.41 -0.85 0.00 0.00 174.74 173.30 3irh n GLY 115 N 1.47 2.44 3.77 -2.22 0.00 -1.26 -5.03 105.19 104.37 3irh n GLY 115 Ca 0.01 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.85 4.21 -1.03 1.61 0.04 -1.26 -3.63 135.00 133.09 3irh s PRO 116 Ca 0.00 2.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.97 3irh s PRO 116 Cb 0.00 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.63 3irh s PRO 116 CO 0.00 -0.30 0.47 0.66 0.04 0.00 0.00 177.00 177.87 3irh n TYR 117 N 0.53 -1.09 -0.19 0.56 4.02 -1.26 -4.54 117.16 115.19 3irh n TYR 117 Ca 0.01 0.10 -0.02 0.00 -0.01 0.00 0.00 57.90 57.98 3irh n TYR 117 Cb 0.43 -2.23 0.19 0.00 -0.02 0.00 0.00 39.34 37.70 3irh n TYR 117 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3irh h SER 118 N -1.54 0.87 -0.26 7.72 4.64 -1.95 0.16 113.55 123.19 3irh h SER 118 Ca -0.58 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 60.69 3irh h SER 118 Cb 1.14 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 3irh h SER 118 CO 0.44 0.75 0.02 -0.74 -0.87 0.00 0.00 176.83 176.43 3irh h HIS 119 N 0.95 0.02 -0.05 4.77 -0.00 -1.92 0.49 115.15 119.41 3irh h HIS 119 Ca 0.23 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.61 3irh h HIS 119 Cb 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 3irh h HIS 119 CO 0.01 -0.02 -0.01 1.15 -0.00 0.00 0.00 177.93 179.06 3irh h THR 120 N 0.10 1.30 -0.56 6.26 2.02 -1.76 -2.41 112.91 117.85 3irh h THR 120 Ca 0.12 -0.91 0.09 0.00 0.77 0.00 0.00 66.41 66.47 3irh h THR 120 Cb 0.15 1.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.30 3irh h THR 120 CO -0.19 0.25 0.19 0.15 0.37 0.00 0.00 175.52 176.28 3irh h PHE 121 N -0.26 0.32 -0.32 3.16 3.57 -0.37 -0.68 116.94 122.36 3irh h PHE 121 Ca 0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3irh h PHE 121 Cb 0.40 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3irh h PHE 121 CO 0.05 0.07 0.00 0.93 -2.23 0.00 0.00 178.31 177.14 3irh h GLU 122 N 0.36 0.50 -0.58 1.11 5.08 -0.06 0.13 114.58 121.11 3irh h GLU 122 Ca 0.28 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3irh h GLU 122 Cb 0.34 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3irh h GLU 122 CO -0.30 0.52 0.04 1.25 -1.00 0.00 0.00 179.01 179.52 3irh h HIS 123 N 0.48 1.09 0.13 4.33 2.76 -0.64 -1.09 115.15 122.20 3irh h HIS 123 Ca 0.10 -0.17 -0.29 0.00 -2.20 0.00 0.00 60.37 57.81 3irh h HIS 123 Cb 0.31 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 3irh h HIS 123 CO 0.01 0.96 -1.49 0.82 -1.30 0.00 0.00 177.93 176.93 3irh h ILE 124 N 0.90 1.01 -0.01 6.26 1.08 -0.97 -3.39 117.51 122.39 3irh h ILE 124 Ca 0.17 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.22 3irh h ILE 124 Cb 0.50 2.73 0.00 0.00 -3.07 0.00 0.00 36.82 36.98 3irh h ILE 124 CO 0.02 0.74 -0.42 0.49 -0.69 0.00 0.00 178.15 178.30 3irh n PHE 125 N -3.85 0.00 -3.69 1.37 3.01 0.44 -5.00 117.46 109.75 3irh n PHE 125 Ca -0.25 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 57.99 3irh n PHE 125 Cb 0.94 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.45 3irh n PHE 125 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3irh n ASP 126 N -0.01 -1.84 -4.95 4.37 8.00 -0.41 -4.99 116.55 116.72 3irh n ASP 126 Ca 0.08 -0.78 -0.23 0.00 0.71 0.00 0.00 54.79 54.57 3irh n ASP 126 Cb 0.43 -4.20 0.02 0.00 -0.02 0.00 0.00 41.12 37.35 3irh n ASP 126 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3irh s THR 127 N -3.58 3.86 -0.25 -3.53 -4.23 -1.24 -5.03 115.64 101.63 3irh s THR 127 Ca 0.10 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 3irh s THR 127 Cb -0.05 -3.45 0.09 0.00 1.34 0.00 0.00 72.50 70.43 3irh s THR 127 CO 0.80 -0.34 0.10 0.21 -0.54 0.00 0.00 174.62 174.85 3irh s ASN 128 N -4.24 3.26 0.36 3.99 3.84 -1.26 -4.64 114.94 116.24 3irh s ASN 128 Ca 0.50 -1.13 0.07 0.00 0.21 0.00 0.00 52.86 52.51 3irh s ASN 128 Cb -0.10 -0.44 0.67 0.00 -0.55 0.00 0.00 41.25 40.83 3irh s ASN 128 CO 0.39 -0.40 1.88 1.12 -2.79 0.00 0.00 177.10 177.30 3irh h HIS 129 N 8.34 0.39 -0.24 0.43 2.07 -1.97 -0.71 115.15 123.45 3irh h HIS 129 Ca -0.17 -0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.29 3irh h HIS 129 Cb 1.06 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.92 3irh h HIS 129 CO 0.27 0.47 0.11 1.49 -3.07 0.00 0.00 177.93 177.19 3irh h GLU 130 N 0.35 0.36 -0.93 5.12 4.81 -1.94 0.81 114.58 123.16 3irh h GLU 130 Ca 0.07 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3irh h GLU 130 Cb 0.39 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3irh h GLU 130 CO 0.02 0.39 0.57 0.00 -0.73 0.00 0.00 179.01 179.26 3irh h ALA 131 N 0.95 1.25 -0.04 2.92 0.00 -1.86 -2.53 119.26 119.96 3irh h ALA 131 Ca 0.08 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 3irh h ALA 131 Cb 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3irh h ALA 131 CO -0.01 0.65 -0.86 0.82 0.00 0.00 0.00 179.25 179.85 3irh h ILE 132 N 1.28 1.39 -0.09 0.00 2.04 -1.00 -0.09 117.51 121.03 3irh h ILE 132 Ca 0.33 -2.32 0.03 0.00 1.00 0.00 0.00 64.86 63.91 3irh h ILE 132 Cb -0.07 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 3irh h ILE 132 CO -0.06 0.70 -0.09 0.74 0.00 0.00 0.00 178.15 179.43 3irh h THR 133 N 0.26 0.74 -0.58 -0.27 2.02 -0.74 0.25 112.91 114.59 3irh h THR 133 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3irh h THR 133 Cb 1.48 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 3irh h THR 133 CO 0.15 0.00 0.27 0.58 0.37 0.00 0.00 175.52 176.89 3irh h VAL 134 N -0.11 1.20 -0.57 3.16 2.07 -1.38 -1.18 116.25 119.42 3irh h VAL 134 Ca 0.07 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3irh h VAL 134 Cb 0.21 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3irh h VAL 134 CO -0.16 0.23 0.00 -0.61 0.02 0.00 0.00 177.57 177.05 3irh h GLN 135 N 0.82 1.01 -0.60 1.57 4.15 -0.56 -2.40 115.11 119.09 3irh h GLN 135 Ca 0.20 -0.32 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 3irh h GLN 135 Cb 0.11 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3irh h GLN 135 CO -0.02 1.00 0.17 0.82 -1.93 0.00 0.00 178.83 178.87 3irh h ILE 136 N 0.90 1.23 0.00 2.39 2.04 -0.09 -1.92 117.51 122.06 3irh h ILE 136 Ca 0.16 -0.81 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 3irh h ILE 136 Cb 0.54 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3irh h ILE 136 CO 0.03 0.31 -0.59 0.40 0.00 0.00 0.00 178.15 178.30 3irh h ILE 137 N 0.88 1.37 -0.01 -0.67 2.04 -1.08 -3.34 117.51 116.70 3irh h ILE 137 Ca 0.20 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 64.01 3irh h ILE 137 Cb 0.27 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3irh h ILE 137 CO -0.01 0.58 -0.15 0.35 0.00 0.00 0.00 178.15 178.92 3irh n THR 138 N -3.77 0.00 -3.47 -0.27 -2.24 -0.92 -4.16 114.28 99.46 3irh n THR 138 Ca -0.01 -0.43 -0.37 0.00 -2.27 0.00 0.00 64.05 60.97 3irh n THR 138 Cb 0.60 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.86 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 -1.13 6.40 0.58 3.42 0.01 -0.73 -4.99 113.70 117.26 3irh s SER 139 Ca 0.07 0.46 0.28 0.00 1.31 0.00 0.00 55.95 58.08 3irh s SER 139 Cb 0.06 -2.20 1.60 0.00 0.21 0.00 0.00 66.02 65.70 3irh s SER 139 CO 0.19 -0.01 2.06 -0.65 0.41 0.00 0.00 173.24 175.25 3irh h PRO 140 N 7.18 0.00 0.00 12.44 0.11 -1.92 -2.52 132.00 147.29 3irh h PRO 140 Ca -0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3irh h PRO 140 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3irh h PRO 140 CO 0.72 0.00 -0.14 1.05 -0.21 0.00 0.00 178.00 179.42 3irh h GLU 141 N 0.00 0.00 -6.58 1.05 4.11 -1.96 -3.44 114.58 107.76 3irh h GLU 141 Ca 0.11 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 59.03 3irh h GLU 141 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3irh h GLU 141 CO -0.00 0.14 0.01 0.95 0.07 0.00 0.00 179.01 180.18 3irh s THR 142 N -4.11 4.77 0.26 -1.06 -4.23 -0.95 -4.99 115.64 105.33 3irh s THR 142 Ca -0.02 0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 61.28 3irh s THR 142 Cb 0.13 -3.65 0.11 0.00 1.34 0.00 0.00 72.50 70.43 3irh s THR 142 CO 0.59 -0.07 1.76 -0.33 -0.54 0.00 0.00 174.62 176.03 3irh h GLU 143 N 2.57 0.77 0.01 3.99 5.08 -1.88 -2.61 114.58 122.51 3irh h GLU 143 Ca -0.48 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 57.70 3irh h GLU 143 Cb 1.18 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3irh h GLU 143 CO 0.67 0.79 -0.24 0.28 -1.00 0.00 0.00 179.01 179.51 3irh h VAL 144 N 0.72 0.46 -0.58 3.13 2.07 -1.93 -1.81 116.25 118.30 3irh h VAL 144 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 3irh h VAL 144 Cb 0.46 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 3irh h VAL 144 CO 0.02 0.00 0.23 0.22 0.02 0.00 0.00 177.57 178.06 3irh h TYR 145 N -0.38 0.40 -0.73 1.57 3.20 -1.66 -1.06 116.97 118.31 3irh h TYR 145 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3irh h TYR 145 Cb 0.45 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3irh h TYR 145 CO -0.27 0.12 0.40 1.96 -1.64 0.00 0.00 178.16 178.73 3irh h GLN 146 N 0.42 1.02 0.16 1.82 1.08 -1.11 0.12 115.11 118.62 3irh h GLN 146 Ca 0.29 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3irh h GLN 146 Cb 0.33 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3irh h GLN 146 CO -0.28 0.74 -0.08 0.82 -0.95 0.00 0.00 178.83 179.09 3irh h ILE 147 N 1.02 0.97 -0.52 2.54 2.04 -0.94 -2.66 117.51 119.96 3irh h ILE 147 Ca 0.26 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 3irh h ILE 147 Cb 0.02 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3irh h ILE 147 CO -0.04 0.17 0.32 -0.07 0.00 0.00 0.00 178.15 178.52 3irh h LEU 148 N -0.58 0.62 -1.93 1.44 3.38 -0.96 -1.77 115.31 115.50 3irh h LEU 148 Ca -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3irh h LEU 148 Cb 0.44 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3irh h LEU 148 CO 0.04 0.49 -0.02 -1.13 0.09 0.00 0.00 178.44 177.90 3irh h ASN 149 N 0.70 0.02 1.10 -0.43 -1.24 -0.84 -1.53 115.58 113.36 3irh h ASN 149 Ca 0.19 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 3irh h ASN 149 Cb -0.02 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.02 3irh h ASN 149 CO -0.04 0.04 0.00 -0.09 -1.29 0.00 0.00 177.43 176.06 3irh h ARG 150 N 0.02 0.00 0.03 6.67 2.43 -0.94 -2.76 114.38 119.83 3irh h ARG 150 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 3irh h ARG 150 Cb 0.05 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3irh h ARG 150 CO 0.00 0.00 -0.71 0.28 -1.51 0.00 0.00 179.97 178.03 3irh h VAL 151 N 0.00 1.42 -1.12 0.20 2.07 -1.16 -3.45 116.25 114.22 3irh h VAL 151 Ca 0.00 -2.20 0.21 0.00 0.82 0.00 0.00 66.70 65.54 3irh h VAL 151 Cb 0.55 2.70 -0.28 0.00 -1.52 0.00 0.00 31.29 32.74 3irh h VAL 151 CO 0.00 0.64 0.89 -0.94 0.02 0.00 0.00 177.57 178.18 3irh s SER 152 N -6.87 -0.08 0.36 0.57 1.04 -1.04 -4.69 113.70 102.99 3irh s SER 152 Ca -0.13 0.10 0.15 0.00 0.48 0.00 0.00 55.95 56.55 3irh s SER 152 Cb 0.03 0.08 1.04 0.00 0.10 0.00 0.00 66.02 67.28 3irh s SER 152 CO 0.84 -0.07 1.72 0.00 0.98 0.00 0.00 173.24 176.71 3irh h ALA 153 N 2.29 2.04 -0.00 5.32 0.00 -1.86 -0.19 119.26 126.86 3irh h ALA 153 Ca -0.12 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3irh h ALA 153 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3irh h ALA 153 CO 0.22 -0.54 -0.10 -0.40 0.00 0.00 0.00 179.25 178.43 3irh n ASP 154 N -4.83 0.58 -0.04 0.00 5.68 -1.26 -4.34 116.55 112.35 3irh n ASP 154 Ca 0.28 -0.73 -0.13 0.00 -0.50 0.00 0.00 54.79 53.71 3irh n ASP 154 Cb 0.90 -0.04 -0.08 0.00 -1.14 0.00 0.00 41.12 40.75 3irh n ASP 154 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3irh h PHE 155 N 0.76 0.26 -0.63 2.11 3.57 -1.28 -2.27 116.94 119.46 3irh h PHE 155 Ca 0.00 -0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.55 3irh h PHE 155 Cb 0.35 -0.05 -0.12 0.00 2.79 0.00 0.00 35.95 38.92 3irh h PHE 155 CO 0.00 0.64 -0.18 -1.35 -2.23 0.00 0.00 178.31 175.19 3irh h PRO 156 N -0.20 -0.02 -0.87 6.41 0.11 -1.76 0.96 132.00 136.64 3irh h PRO 156 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3irh h PRO 156 Cb 0.60 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.67 3irh h PRO 156 CO 0.02 -0.02 0.54 1.49 -0.21 0.00 0.00 178.00 179.82 3irh h GLU 157 N -0.03 1.16 -0.17 1.05 4.81 -1.82 -1.24 114.58 118.34 3irh h GLU 157 Ca 0.30 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3irh h GLU 157 Cb 0.48 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3irh h GLU 157 CO -0.66 0.80 -0.02 0.87 -0.73 0.00 0.00 179.01 179.27 3irh h LYS 158 N 1.19 0.32 -0.10 1.92 1.57 -0.68 -1.01 116.57 119.78 3irh h LYS 158 Ca 0.31 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3irh h LYS 158 Cb -0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3irh h LYS 158 CO -0.06 0.56 -0.05 0.28 -0.57 0.00 0.00 179.45 179.61 3irh h VAL 159 N 0.04 0.83 -0.98 0.50 2.07 -0.70 -1.98 116.25 116.03 3irh h VAL 159 Ca 0.05 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.75 3irh h VAL 159 Cb 0.43 0.83 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 3irh h VAL 159 CO 0.01 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.18 3irh h ALA 160 N 1.05 1.61 0.00 1.67 0.00 -1.19 -2.21 119.26 120.19 3irh h ALA 160 Ca 0.06 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3irh h ALA 160 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3irh h ALA 160 CO -0.13 -0.07 -0.33 0.66 0.00 0.00 0.00 179.25 179.38 3irh h SER 161 N 0.73 0.00 -0.61 0.00 4.64 -0.44 -2.19 113.55 115.69 3irh h SER 161 Ca 0.57 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.82 3irh h SER 161 Cb 0.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 3irh h SER 161 CO -0.39 0.33 0.12 0.58 -0.87 0.00 0.00 176.83 176.60 3irh h VAL 162 N 0.00 1.26 0.00 0.95 2.07 -0.97 0.20 116.25 119.76 3irh h VAL 162 Ca -0.00 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 3irh h VAL 162 Cb 0.71 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3irh h VAL 162 CO 0.04 0.36 -0.52 0.40 0.02 0.00 0.00 177.57 177.87 3irh h ILE 163 N 0.90 1.09 -0.20 4.57 2.04 -1.38 -2.60 117.51 121.93 3irh h ILE 163 Ca 0.19 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 64.04 3irh h ILE 163 Cb 0.39 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3irh h ILE 163 CO 0.01 0.51 0.00 0.35 0.00 0.00 0.00 178.15 179.02 3irh n THR 164 N -3.50 0.26 -1.25 -0.27 -2.24 -0.86 -4.92 114.28 101.50 3irh n THR 164 Ca 0.00 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 3irh n THR 164 Cb 0.63 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.54 -1.44 0.03 -0.78 4.01 -0.86 -4.87 118.16 114.79 3irh n LYS 165 Ca 0.17 0.76 0.12 0.00 -0.51 0.00 0.00 58.31 58.85 3irh n LYS 165 Cb 0.38 -5.01 0.23 0.00 -0.51 0.00 0.00 35.03 30.13 3irh n LYS 165 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3irh n GLN 166 N -1.06 0.16 -1.72 1.97 6.02 0.55 -4.89 117.38 118.40 3irh n GLN 166 Ca -0.09 0.05 -0.43 0.00 -0.01 0.00 0.00 57.00 56.52 3irh n GLN 166 Cb 0.49 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 30.14 3irh n GLN 166 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3irh n TYR 167 N -1.83 2.64 0.90 1.08 9.36 -0.29 -4.88 117.16 124.13 3irh n TYR 167 Ca 0.04 0.31 0.09 0.00 3.32 0.00 0.00 57.90 61.66 3irh n TYR 167 Cb 0.39 -2.55 0.47 0.00 -0.63 0.00 0.00 39.34 37.02 3irh n TYR 167 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3irh n PRO 168 N 2.10 0.29 -3.41 2.98 -0.04 -1.26 -4.63 135.00 131.03 3irh n PRO 168 Ca 0.09 0.10 -0.44 0.00 -0.04 0.00 0.00 63.50 63.22 3irh n PRO 168 Cb 0.35 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.51 6.12 0.35 3.54 3.84 -1.26 -4.97 114.94 120.04 3irh s ASN 169 Ca 0.18 -1.22 0.02 0.00 0.21 0.00 0.00 52.86 52.05 3irh s ASN 169 Cb 0.12 -2.17 0.62 0.00 -0.55 0.00 0.00 41.25 39.28 3irh s ASN 169 CO 0.27 -0.59 2.01 1.55 -2.79 0.00 0.00 177.10 177.55 3irh h PRO 170 N 8.71 0.85 -0.59 0.43 0.13 -1.89 -1.73 132.00 137.92 3irh h PRO 170 Ca -0.28 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 3irh h PRO 170 Cb 1.11 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 3irh h PRO 170 CO 0.84 0.56 0.32 1.96 -0.23 0.00 0.00 178.00 181.45 3irh h GLN 171 N 0.88 0.59 0.16 0.86 4.20 -1.86 0.36 115.11 120.30 3irh h GLN 171 Ca 0.24 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3irh h GLN 171 Cb -0.10 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.55 3irh h GLN 171 CO -0.05 0.39 -0.08 0.28 -0.67 0.00 0.00 178.83 178.70 3irh h VAL 172 N 0.61 0.97 0.10 -0.54 2.07 -1.79 -2.56 116.25 115.11 3irh h VAL 172 Ca 0.26 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3irh h VAL 172 Cb 0.15 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3irh h VAL 172 CO -0.16 0.15 -0.30 0.58 0.02 0.00 0.00 177.57 177.85 3irh h VAL 173 N -0.53 0.34 0.00 2.57 2.07 -1.22 -2.90 116.25 116.58 3irh h VAL 173 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3irh h VAL 173 Cb 0.41 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3irh h VAL 173 CO 0.04 0.00 -0.12 1.56 0.02 0.00 0.00 177.57 179.06 3irh h GLN 174 N -0.51 0.00 -0.05 1.57 4.20 -0.99 0.14 115.11 119.46 3irh h GLN 174 Ca 0.04 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3irh h GLN 174 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3irh h GLN 174 CO -0.19 0.12 -0.31 1.98 -0.67 0.00 0.00 178.83 179.77 3irh h MET 175 N 0.00 0.08 0.00 1.46 4.05 -1.24 -3.19 114.93 116.09 3irh h MET 175 Ca -0.00 -0.03 -0.36 0.00 -0.28 0.00 0.00 59.70 59.03 3irh h MET 175 Cb 0.49 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.22 3irh h MET 175 CO 0.02 0.39 -2.27 -0.89 0.23 0.00 0.00 176.91 174.38 3irh n ILE 176 N -4.15 1.43 -3.37 1.77 5.41 -0.73 -2.12 119.36 117.60 3irh n ILE 176 Ca -0.02 -0.84 -0.15 0.00 1.00 0.00 0.00 62.75 62.74 3irh n ILE 176 Cb 0.37 -0.59 -0.08 0.00 -0.71 0.00 0.00 39.64 38.63 3irh n ILE 176 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3irh s SER 177 N -5.62 1.31 0.00 4.38 0.15 0.39 -4.57 113.70 109.74 3irh s SER 177 Ca -0.10 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.74 3irh s SER 177 Cb 0.06 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 3irh s SER 177 CO 0.82 -0.36 0.00 -1.54 1.20 0.00 0.00 173.24 173.36 3irh n SER 178 N 5.15 0.00 0.00 5.45 3.41 -1.24 -4.21 113.62 122.19 3irh n SER 178 Ca 0.01 -0.30 0.15 0.00 -0.26 0.00 0.00 58.87 58.46 3irh n SER 178 Cb 0.47 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.14 3irh n SER 178 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3irh n GLN 179 N 0.00 0.33 -2.89 4.33 1.13 -1.26 -4.17 117.38 114.85 3irh n GLN 179 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.94 3irh n GLN 179 Cb 0.00 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 28.88 3irh n GLN 179 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 3irh n ILE 180 N -1.34 -0.15 -3.51 5.09 3.06 -1.26 -5.05 119.36 116.21 3irh n ILE 180 Ca 0.12 -2.42 -0.20 0.00 -2.50 0.00 0.00 62.75 57.76 3irh n ILE 180 Cb 0.26 0.63 -0.02 0.00 0.54 0.00 0.00 39.64 41.05 3irh n ILE 180 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3irh s ASP 181 N -1.59 5.20 0.58 9.51 3.84 -1.26 -4.96 116.67 127.99 3irh s ASP 181 Ca 0.31 -0.65 0.28 0.00 -0.00 0.00 0.00 52.55 52.49 3irh s ASP 181 Cb 0.26 -0.65 1.52 0.00 -1.38 0.00 0.00 42.92 42.66 3irh s ASP 181 CO -0.14 -0.62 1.98 0.00 -0.00 0.00 0.00 175.17 176.39 3irh h ALA 182 N 0.99 2.15 0.35 2.11 0.00 -1.70 -2.20 119.26 120.96 3irh h ALA 182 Ca -0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3irh h ALA 182 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3irh h ALA 182 CO 0.55 -0.58 -0.17 0.22 0.00 0.00 0.00 179.25 179.27 3irh h ASP 183 N 0.00 -0.40 -0.98 0.00 3.58 -1.81 -1.96 116.42 114.84 3irh h ASP 183 Ca 0.19 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.57 3irh h ASP 183 Cb 0.94 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 42.04 3irh h ASP 183 CO -0.00 0.06 0.64 0.03 -2.88 0.00 0.00 179.24 177.09 3irh h ARG 184 N -1.04 1.23 -0.51 0.28 3.08 -1.85 -1.90 114.38 113.67 3irh h ARG 184 Ca -0.05 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3irh h ARG 184 Cb 0.47 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3irh h ARG 184 CO 0.08 0.82 0.17 0.52 -1.07 0.00 0.00 179.97 180.49 3irh h MET 185 N 1.27 0.79 -0.06 0.04 2.86 -1.44 -1.97 114.93 116.41 3irh h MET 185 Ca 0.38 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3irh h MET 185 Cb -0.05 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 3irh h MET 185 CO -0.11 0.72 -0.02 0.22 1.06 0.00 0.00 176.91 178.78 3irh h ASP 186 N 0.70 0.13 0.70 1.22 1.82 -1.07 -2.81 116.42 117.11 3irh h ASP 186 Ca 0.17 -0.40 -0.07 0.00 -0.39 0.00 0.00 57.03 56.34 3irh h ASP 186 Cb 0.25 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 3irh h ASP 186 CO -0.01 0.50 -0.35 0.10 -1.61 0.00 0.00 179.24 177.87 3irh h TYR 187 N -0.24 0.00 -0.14 0.28 -0.00 -1.26 0.13 116.97 115.74 3irh h TYR 187 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.72 3irh h TYR 187 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.17 3irh h TYR 187 CO 0.06 0.35 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.48 3irh h LEU 188 N 0.00 0.25 -0.24 0.10 3.38 -1.42 0.12 115.31 117.51 3irh h LEU 188 Ca -0.00 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3irh h LEU 188 Cb 0.79 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3irh h LEU 188 CO 0.05 0.53 0.04 -0.07 0.09 0.00 0.00 178.44 179.08 3irh h LEU 189 N -0.04 0.38 -0.08 1.67 3.38 -1.18 -1.99 115.31 117.45 3irh h LEU 189 Ca 0.04 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 3irh h LEU 189 Cb 0.42 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3irh h LEU 189 CO 0.01 0.54 -0.36 -0.09 0.09 0.00 0.00 178.44 178.63 3irh h ARG 190 N 0.20 0.37 -1.01 1.13 2.43 -0.80 -0.63 114.38 116.07 3irh h ARG 190 Ca 0.07 -0.30 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3irh h ARG 190 Cb 0.32 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 3irh h ARG 190 CO 0.00 0.94 0.66 -0.44 -1.51 0.00 0.00 179.97 179.63 3irh h ASP 191 N -0.10 1.11 -0.74 -3.80 3.32 -0.84 -1.47 116.42 113.90 3irh h ASP 191 Ca -0.02 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3irh h ASP 191 Cb 1.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3irh h ASP 191 CO 0.07 0.76 0.23 0.00 -1.72 0.00 0.00 179.24 178.59 3irh h ALA 192 N 1.41 1.00 -0.76 3.45 0.00 -1.28 -1.87 119.26 121.21 3irh h ALA 192 Ca 0.40 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3irh h ALA 192 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3irh h ALA 192 CO -0.12 0.67 0.26 -0.92 0.00 0.00 0.00 179.25 179.14 3irh h TYR 193 N 1.11 1.19 0.09 0.00 3.20 -0.29 -2.37 116.97 119.91 3irh h TYR 193 Ca 0.24 -0.11 -0.31 0.00 3.14 0.00 0.00 58.73 61.69 3irh h TYR 193 Cb 0.31 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3irh h TYR 193 CO 0.03 0.93 -1.65 0.74 -1.64 0.00 0.00 178.16 176.56 3irh h PHE 194 N 1.11 0.36 -0.05 -3.82 -1.00 -1.30 -3.31 116.94 108.94 3irh h PHE 194 Ca 0.25 -0.26 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 3irh h PHE 194 Cb 0.27 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3irh h PHE 194 CO 0.02 1.38 -0.30 1.79 -1.61 0.00 0.00 178.31 179.60 3irh h THR 195 N 0.05 1.23 0.00 -1.55 1.35 -1.41 -3.24 112.91 109.35 3irh h THR 195 Ca -0.28 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3irh h THR 195 Cb 2.01 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 3irh h THR 195 CO 0.13 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3irh n GLY 196 N -0.59 0.80 3.87 5.82 0.00 -0.91 -4.67 105.19 109.52 3irh n GLY 196 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3irh n GLY 196 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3irh s THR 197 N -2.05 4.83 0.14 2.61 -4.23 -1.10 -4.98 115.64 110.85 3irh s THR 197 Ca 0.00 0.57 0.25 0.00 -1.18 0.00 0.00 61.69 61.32 3irh s THR 197 Cb 0.00 -3.69 0.24 0.00 1.34 0.00 0.00 72.50 70.40 3irh s THR 197 CO 0.00 -0.34 1.84 -0.08 -0.54 0.00 0.00 174.62 175.50 3irh h GLU 198 N 1.74 0.00 -0.09 3.99 4.57 -1.98 -3.41 114.58 119.40 3irh h GLU 198 Ca -0.47 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.73 3irh h GLU 198 Cb 1.18 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3irh h GLU 198 CO 0.65 0.21 0.22 1.88 -1.18 0.00 0.00 179.01 180.79 3irh h TYR 199 N 0.00 0.00 0.00 0.92 0.99 -1.94 -2.53 116.97 114.41 3irh h TYR 199 Ca -0.00 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.36 3irh h TYR 199 Cb 0.72 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.45 3irh h TYR 199 CO 0.00 0.00 2.19 0.41 -0.00 0.00 0.00 178.16 180.76 3irh n GLY 200 N -1.27 3.11 0.24 3.88 0.00 -1.26 -4.16 105.19 105.73 3irh n GLY 200 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3irh n GLY 200 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3irh n THR 201 N 3.75 0.00 -4.16 2.61 -2.24 -0.96 -4.85 114.28 108.43 3irh n THR 201 Ca 0.46 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.95 3irh n THR 201 Cb 0.26 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.16 3irh n THR 201 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3irh s PHE 202 N -1.51 2.92 -0.43 4.78 -0.12 -1.26 -4.97 117.98 117.38 3irh s PHE 202 Ca 0.00 -0.07 -0.13 0.00 -0.05 0.00 0.00 56.93 56.68 3irh s PHE 202 Cb 0.00 -1.49 0.06 0.00 -0.63 0.00 0.00 43.02 40.96 3irh s PHE 202 CO 0.00 0.48 0.31 0.34 -0.05 0.00 0.00 175.22 176.30 3irh s ASP 203 N -2.42 5.94 0.30 1.98 2.15 -1.26 -4.96 116.67 118.40 3irh s ASP 203 Ca 0.25 -1.23 0.03 0.00 0.43 0.00 0.00 52.55 52.02 3irh s ASP 203 Cb -0.11 -2.10 0.60 0.00 -0.30 0.00 0.00 42.92 41.01 3irh s ASP 203 CO 0.18 -0.54 1.86 0.25 -0.17 0.00 0.00 175.17 176.75 3irh h LEU 204 N 8.59 0.87 -0.70 -1.34 5.85 -1.98 -2.50 115.31 124.11 3irh h LEU 204 Ca -0.26 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 3irh h LEU 204 Cb 1.10 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3irh h LEU 204 CO 0.78 0.48 -0.02 0.74 -0.34 0.00 0.00 178.44 180.08 3irh h THR 205 N 0.95 1.26 0.00 1.05 2.02 -1.97 0.25 112.91 116.47 3irh h THR 205 Ca 0.46 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3irh h THR 205 Cb 0.47 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3irh h THR 205 CO -0.23 0.41 0.00 0.54 0.37 0.00 0.00 175.52 176.61 3irh n ARG 206 N -4.18 0.13 -0.07 6.66 1.74 -0.97 -1.88 116.66 118.10 3irh n ARG 206 Ca 0.03 0.29 -0.17 0.00 -0.77 0.00 0.00 57.85 57.22 3irh n ARG 206 Cb 0.35 -1.71 -0.13 0.00 -1.02 0.00 0.00 32.46 29.94 3irh n ARG 206 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3irh n ILE 207 N -1.95 1.59 0.43 0.55 5.41 -0.89 -4.14 119.36 120.36 3irh n ILE 207 Ca 0.04 -0.65 0.09 0.00 1.00 0.00 0.00 62.75 63.22 3irh n ILE 207 Cb 0.26 -1.39 0.37 0.00 -0.71 0.00 0.00 39.64 38.17 3irh n ILE 207 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3irh n LEU 208 N -3.26 0.25 0.10 1.39 4.77 0.85 -2.06 117.00 119.04 3irh n LEU 208 Ca -0.37 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 3irh n LEU 208 Cb 1.04 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3irh n LEU 208 CO 0.36 -0.39 0.32 -0.09 -1.33 0.00 0.00 177.39 176.26 3irh h ARG 209 N 0.00 0.00 0.00 3.23 2.43 -1.53 -3.38 114.38 115.13 3irh h ARG 209 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3irh h ARG 209 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3irh h ARG 209 CO 0.00 0.75 -0.52 1.33 -1.51 0.00 0.00 179.97 180.02 3irh n VAL 210 N -3.36 0.00 -1.84 0.20 0.24 -1.04 -5.01 118.33 107.52 3irh n VAL 210 Ca 0.01 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.34 61.59 3irh n VAL 210 Cb 0.81 0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.67 2.22 0.03 1.34 2.07 -0.87 -0.90 121.20 123.43 3irh s ILE 211 Ca 0.00 0.19 -0.16 0.00 -1.41 0.00 0.00 60.65 59.27 3irh s ILE 211 Cb 0.03 -3.12 0.03 0.00 0.13 0.00 0.00 42.46 39.52 3irh s ILE 211 CO 0.15 0.03 0.36 0.00 -1.91 0.00 0.00 174.94 173.57 3irh s ARG 212 N -0.60 0.84 0.70 3.50 1.70 0.21 -4.93 118.95 120.37 3irh s ARG 212 Ca 0.61 -0.38 -0.11 0.00 -0.47 0.00 0.00 55.73 55.38 3irh s ARG 212 Cb -0.46 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.30 3irh s ARG 212 CO 0.48 -0.27 1.09 -1.25 -1.08 0.00 0.00 175.30 174.27 3irh s PRO 213 N -2.31 2.94 0.37 3.89 0.04 -1.26 -0.37 135.00 138.29 3irh s PRO 213 Ca -0.06 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.36 3irh s PRO 213 Cb -0.01 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.53 3irh s PRO 213 CO -0.01 -0.99 0.67 1.52 0.04 0.00 0.00 177.00 178.23 3irh s TYR 214 N -3.34 0.45 0.33 0.56 -0.85 -0.11 -4.76 117.35 109.64 3irh s TYR 214 Ca 0.58 -0.96 0.09 0.00 -0.52 0.00 0.00 57.07 56.25 3irh s TYR 214 Cb -0.11 0.50 0.97 0.00 0.38 0.00 0.00 41.96 43.70 3irh s TYR 214 CO 0.52 -1.40 1.58 -0.22 -1.52 0.00 0.00 175.55 174.51 3irh h LYS 215 N 2.04 0.02 -0.52 -3.49 3.64 -1.77 -1.49 116.57 115.00 3irh h LYS 215 Ca -0.30 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3irh h LYS 215 Cb 1.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3irh h LYS 215 CO 0.39 0.02 0.00 0.41 -2.27 0.00 0.00 179.45 178.00 3irh n GLY 216 N -1.40 2.90 0.00 5.01 0.00 -1.26 -4.85 105.19 105.58 3irh n GLY 216 Ca 0.28 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.81 0.58 3.21 -0.02 0.00 -0.56 -4.76 105.19 104.45 3irh n GLY 217 Ca 0.21 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 1.77 0.24 -0.61 1.01 -1.26 -0.93 121.20 121.42 3irh s ILE 218 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3irh s ILE 218 Cb 0.00 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3irh s ILE 218 CO 0.00 0.50 0.14 0.00 0.00 0.00 0.00 174.94 175.58 3irh s ALA 219 N -0.15 1.47 -0.07 9.38 0.00 0.50 -4.63 121.76 128.25 3irh s ALA 219 Ca -0.02 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.17 3irh s ALA 219 Cb -0.12 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.32 3irh s ALA 219 CO 0.02 -0.56 -0.08 -0.06 0.00 0.00 0.00 175.76 175.08 3irh s PHE 220 N -3.92 1.22 0.39 0.00 0.40 -0.76 -0.62 117.98 114.68 3irh s PHE 220 Ca 0.38 -0.48 -0.27 0.00 -0.60 0.00 0.00 56.93 55.96 3irh s PHE 220 Cb 0.06 -0.99 -0.11 0.00 0.51 0.00 0.00 43.02 42.49 3irh s PHE 220 CO 0.15 -0.33 1.34 0.00 0.70 0.00 0.00 175.22 177.08 3irh n ALA 221 N 4.31 1.59 0.15 5.36 0.00 -0.07 -0.12 120.51 131.73 3irh n ALA 221 Ca -0.19 0.31 0.09 0.00 0.00 0.00 0.00 53.44 53.65 3irh n ALA 221 Cb 0.51 -2.31 0.60 0.00 0.00 0.00 0.00 19.45 18.25 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 2.45 0.13 0.00 0.00 4.05 -1.61 -1.54 114.93 118.41 3irh h MET 222 Ca -0.48 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 3irh h MET 222 Cb 1.28 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 3irh h MET 222 CO 0.62 0.09 0.00 0.27 0.23 0.00 0.00 176.91 178.11 3irh n ASN 223 N -4.50 0.01 -1.06 1.39 0.23 -1.26 -2.03 115.26 108.03 3irh n ASN 223 Ca 0.01 0.50 0.08 0.00 -0.53 0.00 0.00 54.58 54.64 3irh n ASN 223 Cb 0.17 -0.50 0.25 0.00 -2.08 0.00 0.00 39.78 37.62 3irh n ASN 223 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3irh n GLY 224 N -0.17 2.84 0.31 4.83 0.00 -0.58 -4.72 105.19 107.69 3irh n GLY 224 Ca 0.03 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 3irh n GLY 224 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3irh h MET 225 N 3.04 -0.10 -0.30 1.61 1.85 -1.49 -1.08 114.93 118.46 3irh h MET 225 Ca 0.00 0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.15 3irh h MET 225 Cb 1.04 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 3irh h MET 225 CO 0.08 -0.07 0.20 0.45 -0.40 0.00 0.00 176.91 177.17 3irh h HIS 226 N -0.10 0.17 -0.21 1.39 3.86 -1.85 0.30 115.15 118.70 3irh h HIS 226 Ca 0.27 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.37 3irh h HIS 226 Cb 0.53 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3irh h HIS 226 CO -0.59 0.09 -0.33 0.00 0.86 0.00 0.00 177.93 177.96 3irh h ALA 227 N 1.84 1.03 -0.12 2.45 0.00 -1.52 -2.34 119.26 120.60 3irh h ALA 227 Ca 0.13 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 3irh h ALA 227 Cb 0.31 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3irh h ALA 227 CO -0.02 0.59 -0.59 0.28 0.00 0.00 0.00 179.25 179.51 3irh h VAL 228 N 0.38 1.34 -0.75 0.00 2.07 -0.77 -2.97 116.25 115.56 3irh h VAL 228 Ca 0.05 -1.87 0.17 0.00 0.82 0.00 0.00 66.70 65.86 3irh h VAL 228 Cb 0.77 2.13 -0.12 0.00 -1.52 0.00 0.00 31.29 32.55 3irh h VAL 228 CO 0.06 0.57 0.10 -0.33 0.02 0.00 0.00 177.57 178.00 3irh h GLU 229 N 0.25 0.17 -0.21 1.57 5.08 -0.94 -1.37 114.58 119.12 3irh h GLU 229 Ca -0.04 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3irh h GLU 229 Cb 1.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3irh h GLU 229 CO 0.12 0.11 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.59 3irh h ASP 230 N 0.18 0.37 -0.32 1.42 3.45 -1.37 -1.84 116.42 118.32 3irh h ASP 230 Ca 0.43 -0.11 0.02 0.00 0.43 0.00 0.00 57.03 57.79 3irh h ASP 230 Cb 0.76 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.40 3irh h ASP 230 CO -0.59 0.60 0.17 0.22 -1.57 0.00 0.00 179.24 178.07 3irh h TYR 231 N 0.34 0.32 -0.55 4.55 3.20 -1.10 -1.11 116.97 122.62 3irh h TYR 231 Ca 0.06 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3irh h TYR 231 Cb 0.58 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 3irh h TYR 231 CO 0.01 0.19 0.23 0.82 -1.64 0.00 0.00 178.16 177.77 3irh h ILE 232 N 0.36 1.22 -0.14 1.81 1.08 -1.00 -0.58 117.51 120.25 3irh h ILE 232 Ca 0.13 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3irh h ILE 232 Cb 0.02 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 3irh h ILE 232 CO -0.07 0.26 0.09 0.58 -0.69 0.00 0.00 178.15 178.31 3irh h VAL 233 N 0.75 1.05 -0.22 1.67 2.07 -1.24 0.01 116.25 120.34 3irh h VAL 233 Ca 0.19 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.64 3irh h VAL 233 Cb 0.18 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3irh h VAL 233 CO -0.02 0.05 -0.06 0.28 0.02 0.00 0.00 177.57 177.84 3irh h SER 234 N 0.18 -0.23 -0.06 0.57 0.02 -1.04 -0.27 113.55 112.72 3irh h SER 234 Ca 0.05 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3irh h SER 234 Cb -0.00 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3irh h SER 234 CO -0.01 -0.08 -0.31 -0.09 -1.14 0.00 0.00 176.83 175.19 3irh h ARG 235 N -0.02 -0.41 -0.16 3.45 2.43 -0.76 0.10 114.38 119.02 3irh h ARG 235 Ca 0.11 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3irh h ARG 235 Cb 0.18 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3irh h ARG 235 CO -0.23 -0.27 0.03 -0.92 -1.51 0.00 0.00 179.97 177.06 3irh h TYR 236 N -0.42 0.05 -0.77 2.20 3.20 -0.78 -1.93 116.97 118.52 3irh h TYR 236 Ca 0.08 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 3irh h TYR 236 Cb 0.54 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3irh h TYR 236 CO -0.37 0.01 0.36 1.96 -1.64 0.00 0.00 178.16 178.49 3irh h GLN 237 N 0.09 1.11 -0.79 1.82 1.08 -0.73 -1.26 115.11 116.42 3irh h GLN 237 Ca 0.07 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3irh h GLN 237 Cb 0.07 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.26 3irh h GLN 237 CO -0.10 0.86 0.51 0.52 -0.95 0.00 0.00 178.83 179.67 3irh h MET 238 N 1.08 1.05 0.63 1.46 2.86 -0.60 -1.06 114.93 120.34 3irh h MET 238 Ca 0.26 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3irh h MET 238 Cb 0.13 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3irh h MET 238 CO -0.03 0.71 -0.41 1.88 1.06 0.00 0.00 176.91 180.12 3irh h TYR 239 N 1.07 -1.10 0.00 -0.22 -1.99 -0.96 0.73 116.97 114.51 3irh h TYR 239 Ca 0.29 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.01 3irh h TYR 239 Cb -0.09 0.40 0.00 0.00 2.00 0.00 0.00 36.73 39.03 3irh h TYR 239 CO -0.01 -0.61 0.00 1.33 -0.00 0.00 0.00 178.16 178.86 3irh n VAL 240 N -5.54 0.37 -0.01 -2.88 0.24 -0.51 -0.65 118.33 109.35 3irh n VAL 240 Ca -0.13 -0.12 0.03 0.00 -2.04 0.00 0.00 64.34 62.08 3irh n VAL 240 Cb 0.43 -0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 3irh n VAL 240 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3irh n GLN 241 N -1.91 0.68 0.04 7.34 6.02 -0.41 -4.73 117.38 124.41 3irh n GLN 241 Ca 0.06 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3irh n GLN 241 Cb 0.37 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 -1.85 0.72 0.06 5.09 0.31 0.12 -4.60 118.33 118.18 3irh n VAL 242 Ca -0.03 0.24 0.04 0.00 -0.01 0.00 0.00 64.34 64.57 3irh n VAL 242 Cb 0.29 -1.24 0.44 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.00 0.39 -0.61 3.52 0.99 -1.05 -2.59 116.97 117.62 3irh h TYR 243 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3irh h TYR 243 Cb 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 37.60 3irh h TYR 243 CO 0.00 0.30 0.00 1.19 -0.00 0.00 0.00 178.16 179.65 3irh n PHE 244 N -4.43 1.08 -1.69 4.88 3.72 0.18 -4.94 117.46 116.26 3irh n PHE 244 Ca 0.01 -0.48 -0.42 0.00 -0.05 0.00 0.00 57.45 56.52 3irh n PHE 244 Cb 0.12 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 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 1.18 2.64 0.19 1.38 -0.00 -0.98 -4.90 115.22 114.72 3irh n HIS 245 Ca 0.22 -0.17 0.09 0.00 0.46 0.00 0.00 57.72 58.32 3irh n HIS 245 Cb 0.67 -2.74 0.61 0.00 -0.12 0.00 0.00 29.99 28.41 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 8.68 0.09 -0.03 1.57 0.11 -1.93 -2.36 132.00 138.13 3irh h PRO 246 Ca -0.46 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 3irh h PRO 246 Cb 1.22 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.33 3irh h PRO 246 CO 0.95 0.06 -0.96 0.28 -0.21 0.00 0.00 178.00 178.11 3irh h VAL 247 N 0.09 1.29 -0.51 3.15 2.07 -1.92 -0.83 116.25 119.59 3irh h VAL 247 Ca 0.06 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3irh h VAL 247 Cb 0.12 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3irh h VAL 247 CO -0.01 0.68 0.33 0.28 0.02 0.00 0.00 177.57 178.87 3irh h SER 248 N 0.38 0.60 0.18 0.57 0.02 -1.81 -2.17 113.55 111.32 3irh h SER 248 Ca -0.11 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 3irh h SER 248 Cb 1.62 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 3irh h SER 248 CO 0.19 0.45 -0.36 0.03 -1.14 0.00 0.00 176.83 176.00 3irh h ARG 249 N 0.70 0.26 -0.91 3.45 3.08 -1.41 -0.88 114.38 118.66 3irh h ARG 249 Ca 0.19 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.19 3irh h ARG 249 Cb -0.06 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 3irh h ARG 249 CO -0.04 0.59 0.59 0.78 -1.07 0.00 0.00 179.97 180.82 3irh h GLY 250 N 1.14 1.33 1.62 0.04 0.00 -0.76 -0.47 103.07 105.96 3irh h GLY 250 Ca 0.03 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 46.74 3irh h GLY 250 CO 0.06 0.30 -0.84 -0.33 0.00 0.00 0.00 176.54 175.72 3irh h MET 251 N 1.03 0.36 -0.32 4.80 2.86 -0.77 -3.13 114.93 119.76 3irh h MET 251 Ca 0.39 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3irh h MET 251 Cb 0.21 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3irh h MET 251 CO -0.15 1.02 -0.06 1.49 1.06 0.00 0.00 176.91 180.27 3irh h GLU 252 N 0.22 0.52 -0.37 1.72 4.22 -0.60 -2.39 114.58 117.90 3irh h GLU 252 Ca -0.05 -0.13 -0.14 0.00 0.08 0.00 0.00 59.36 59.12 3irh h GLU 252 Cb 1.45 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 3irh h GLU 252 CO 0.14 0.59 -0.31 0.28 -2.18 0.00 0.00 179.01 177.54 3irh h VAL 253 N 0.49 1.28 -0.19 0.32 2.07 -1.11 -0.66 116.25 118.45 3irh h VAL 253 Ca 0.10 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.19 3irh h VAL 253 Cb 0.41 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3irh h VAL 253 CO 0.02 0.49 -0.08 0.40 0.02 0.00 0.00 177.57 178.41 3irh h ILE 254 N 0.67 0.72 -0.26 4.57 2.04 -1.48 -1.71 117.51 122.06 3irh h ILE 254 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 3irh h ILE 254 Cb 0.89 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3irh h ILE 254 CO 0.08 0.00 -0.08 0.25 0.00 0.00 0.00 178.15 178.40 3irh h LEU 255 N -0.06 -0.29 -0.07 1.44 5.85 -1.25 0.13 115.31 121.06 3irh h LEU 255 Ca 0.10 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3irh h LEU 255 Cb 0.21 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3irh h LEU 255 CO -0.23 -0.11 -0.05 -0.78 -0.34 0.00 0.00 178.44 176.93 3irh h ASP 256 N -0.03 -0.16 0.26 1.25 3.58 -0.93 -1.17 116.42 119.22 3irh h ASP 256 Ca 0.13 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 3irh h ASP 256 Cb 0.22 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3irh h ASP 256 CO -0.28 -0.07 -0.44 0.45 -2.88 0.00 0.00 179.24 176.01 3irh h HIS 257 N -0.06 0.28 0.26 0.28 3.86 -1.07 -0.92 115.15 117.78 3irh h HIS 257 Ca 0.05 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3irh h HIS 257 Cb 0.13 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3irh h HIS 257 CO -0.15 0.64 -0.18 1.25 0.86 0.00 0.00 177.93 180.35 3irh h LEU 258 N 0.19 -0.45 -0.71 2.43 5.85 -0.32 0.32 115.31 122.62 3irh h LEU 258 Ca 0.01 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 3irh h LEU 258 Cb 0.86 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3irh h LEU 258 CO 0.07 -0.28 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.60 3irh h LEU 259 N -0.43 0.77 -0.54 2.25 3.38 -1.13 -2.04 115.31 117.57 3irh h LEU 259 Ca -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3irh h LEU 259 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3irh h LEU 259 CO 0.01 0.97 0.29 -0.74 0.09 0.00 0.00 178.44 179.06 3irh h HIS 260 N 0.66 0.75 -0.40 1.13 2.76 -1.06 -1.29 115.15 117.70 3irh h HIS 260 Ca 0.09 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3irh h HIS 260 Cb 0.72 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 3irh h HIS 260 CO 0.04 0.56 0.23 -0.09 -1.30 0.00 0.00 177.93 177.36 3irh h ARG 261 N 0.72 0.55 -0.46 5.26 9.65 -0.77 -0.63 114.38 128.71 3irh h ARG 261 Ca 0.19 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.06 3irh h ARG 261 Cb 0.06 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.48 3irh h ARG 261 CO -0.03 0.43 0.18 0.00 2.80 0.00 0.00 179.97 183.35 3irh h ALA 262 N 1.09 0.56 -0.34 2.80 0.00 -1.19 0.83 119.26 123.01 3irh h ALA 262 Ca 0.14 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3irh h ALA 262 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3irh h ALA 262 CO -0.02 -0.20 0.22 -0.22 0.00 0.00 0.00 179.25 179.03 3irh h LYS 263 N 0.37 0.43 -0.82 0.00 3.64 -0.98 -0.44 116.57 118.78 3irh h LYS 263 Ca 0.21 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3irh h LYS 263 Cb 0.18 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3irh h LYS 263 CO -0.19 0.29 0.44 0.93 -2.27 0.00 0.00 179.45 178.64 3irh h GLU 264 N 0.45 1.15 0.25 1.90 5.08 -0.64 -1.75 114.58 121.01 3irh h GLU 264 Ca 0.13 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3irh h GLU 264 Cb -0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3irh h GLU 264 CO -0.03 0.86 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.64 3irh h LEU 265 N 1.14 -0.28 -0.41 1.33 3.38 -0.54 -1.31 115.31 118.61 3irh h LEU 265 Ca 0.29 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3irh h LEU 265 Cb 0.05 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3irh h LEU 265 CO -0.04 -0.11 0.20 0.15 0.09 0.00 0.00 178.44 178.73 3irh h PHE 266 N -0.45 0.36 0.00 1.13 3.57 -0.96 -2.61 116.94 117.98 3irh h PHE 266 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3irh h PHE 266 Cb 0.34 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3irh h PHE 266 CO -0.03 0.18 -0.06 0.39 -2.23 0.00 0.00 178.31 176.56 3irh n GLU 267 N -4.93 0.09 -2.34 1.11 1.02 -0.67 -4.66 120.64 110.25 3irh n GLU 267 Ca 0.02 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 3irh n GLU 267 Cb 0.11 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 3irh n GLU 267 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3irh s ASN 268 N -3.51 6.48 0.00 1.62 3.84 -0.50 -4.90 114.94 117.98 3irh s ASN 268 Ca 0.12 1.11 0.10 0.00 0.21 0.00 0.00 52.86 54.40 3irh s ASN 268 Cb 0.17 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.78 3irh s ASN 268 CO 0.57 -1.26 1.24 -0.81 -2.79 0.00 0.00 177.10 174.05 3irh n PRO 269 N 7.69 0.08 -0.19 0.43 -0.04 -1.26 -1.95 135.00 139.75 3irh n PRO 269 Ca 0.16 0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.94 3irh n PRO 269 Cb 0.47 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.58 3irh n PRO 269 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3irh n GLU 270 N -1.37 2.49 -3.60 0.54 0.28 -1.26 -4.88 120.64 112.83 3irh n GLU 270 Ca 0.04 -2.32 -0.38 0.00 -0.16 0.00 0.00 57.16 54.34 3irh n GLU 270 Cb 0.09 -1.45 -0.11 0.00 1.43 0.00 0.00 31.44 31.40 3irh n GLU 270 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3irh s PHE 271 N -2.06 3.21 -1.24 -1.84 5.36 -0.82 -5.00 117.98 115.59 3irh s PHE 271 Ca 0.26 0.04 0.17 0.00 -0.96 0.00 0.00 56.93 56.44 3irh s PHE 271 Cb 0.21 -2.38 -0.09 0.00 -0.34 0.00 0.00 43.02 40.42 3irh s PHE 271 CO 0.07 -0.20 0.82 -3.47 -1.46 0.00 0.00 175.22 170.98 3irh n ASP 272 N 5.05 1.29 -4.75 6.13 2.03 -1.26 -4.90 116.55 120.15 3irh n ASP 272 Ca -0.14 -1.15 -0.41 0.00 0.52 0.00 0.00 54.79 53.62 3irh n ASP 272 Cb 0.52 0.72 -0.04 0.00 -0.72 0.00 0.00 41.12 41.59 3irh n ASP 272 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3irh s TYR 273 N -2.31 3.66 -0.16 -0.67 1.51 -1.26 -4.96 117.35 113.16 3irh s TYR 273 Ca 0.11 1.70 -0.29 0.00 -1.01 0.00 0.00 57.07 57.57 3irh s TYR 273 Cb 0.14 -3.22 -0.04 0.00 -0.11 0.00 0.00 41.96 38.72 3irh s TYR 273 CO 0.56 -0.38 1.72 0.34 -1.11 0.00 0.00 175.55 176.68 3irh s ASP 274 N -0.55 6.35 0.18 2.29 3.68 -1.26 -4.88 116.67 122.48 3irh s ASP 274 Ca 0.46 1.86 0.26 0.00 2.13 0.00 0.00 52.55 57.27 3irh s ASP 274 Cb -0.29 -2.53 0.87 0.00 -1.45 0.00 0.00 42.92 39.52 3irh s ASP 274 CO 0.36 -1.24 1.79 0.18 0.13 0.00 0.00 175.17 176.39 3irh n LEU 275 N 8.43 0.69 -3.95 -1.34 4.77 -1.26 -4.94 117.00 119.41 3irh n LEU 275 Ca 0.20 0.57 -0.31 0.00 -0.03 0.00 0.00 56.01 56.44 3irh n LEU 275 Cb 0.44 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3irh n LEU 275 CO 0.65 -0.17 0.07 0.00 -1.33 0.00 0.00 177.39 176.60 3irh n GLN 276 N -2.16 -5.12 -2.62 3.23 6.02 -1.26 -4.82 117.38 110.65 3irh n GLN 276 Ca 0.06 0.56 -0.23 0.00 -0.01 0.00 0.00 57.00 57.38 3irh n GLN 276 Cb 0.41 -5.40 -0.00 0.00 1.02 0.00 0.00 30.24 26.27 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 -4.62 4.52 -0.25 -1.58 0.00 -1.26 -4.93 120.51 112.40 3irh n ALA 277 Ca 0.02 -4.10 0.06 0.00 0.00 0.00 0.00 53.44 49.42 3irh n ALA 277 Cb 0.53 -0.67 0.18 0.00 0.00 0.00 0.00 19.45 19.50 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 2.75 0.10 0.59 0.00 4.64 -2.01 0.19 113.55 119.80 3irh h SER 278 Ca 0.18 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3irh h SER 278 Cb 0.91 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3irh h SER 278 CO 0.76 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.90 3irh n LEU 279 N -5.11 0.58 0.05 5.97 4.77 -1.26 -1.95 117.00 120.06 3irh n LEU 279 Ca 0.14 0.66 0.11 0.00 -0.03 0.00 0.00 56.01 56.90 3irh n LEU 279 Cb 0.45 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3irh n LEU 279 CO 0.14 -0.59 -0.26 0.18 -1.33 0.00 0.00 177.39 175.53 3irh n LEU 280 N -2.16 0.51 -0.17 2.23 4.77 0.61 -4.53 117.00 118.26 3irh n LEU 280 Ca 0.02 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3irh n LEU 280 Cb 0.19 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3irh n LEU 280 CO 0.17 -0.08 0.63 0.58 -1.33 0.00 0.00 177.39 177.36 3irh h VAL 281 N 0.00 0.19 -0.99 4.08 2.07 -0.93 0.14 116.25 120.80 3irh h VAL 281 Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 3irh h VAL 281 Cb 0.95 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3irh h VAL 281 CO 0.00 0.00 0.68 -0.65 0.02 0.00 0.00 177.57 177.62 3irh h PRO 282 N -0.21 0.23 0.04 1.57 0.11 -1.80 -0.47 132.00 131.47 3irh h PRO 282 Ca 0.20 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 66.04 3irh h PRO 282 Cb 0.55 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 3irh h PRO 282 CO -0.62 0.15 -1.33 0.74 -0.21 0.00 0.00 178.00 176.73 3irh h PHE 283 N 0.23 0.14 -0.00 0.65 0.04 -1.06 0.19 116.94 117.13 3irh h PHE 283 Ca 0.52 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 61.18 3irh h PHE 283 Cb 1.60 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.74 3irh h PHE 283 CO -0.00 1.11 0.00 0.74 -0.60 0.00 0.00 178.31 179.56 3irh h PHE 284 N 0.02 0.00 0.00 -0.55 0.05 -0.38 -2.65 116.94 113.44 3irh h PHE 284 Ca -0.15 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.64 3irh h PHE 284 Cb 1.91 -0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.85 3irh h PHE 284 CO 0.02 0.04 0.00 1.63 -0.18 0.00 0.00 178.31 179.82 3irh n LYS 285 N -5.07 0.06 -3.08 1.51 5.02 -0.26 -4.88 118.16 111.46 3irh n LYS 285 Ca -0.07 0.40 -0.23 0.00 -2.02 0.00 0.00 58.31 56.39 3irh n LYS 285 Cb 0.05 -1.63 0.04 0.00 -0.02 0.00 0.00 35.03 33.46 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 -0.54 -0.53 2.66 0.72 0.00 -0.80 -4.97 105.19 101.74 3irh n GLY 286 Ca 0.02 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.75 1.85 0.06 1.61 -1.08 0.59 -5.01 116.67 111.93 3irh s ASP 287 Ca 0.33 -1.73 0.05 0.00 -0.52 0.00 0.00 52.55 50.68 3irh s ASP 287 Cb -0.15 0.22 -0.03 0.00 -1.46 0.00 0.00 42.92 41.50 3irh s ASP 287 CO 0.41 -0.29 -0.14 0.72 0.52 0.00 0.00 175.17 176.39 3irh s PHE 288 N 1.38 1.19 0.59 -5.34 -0.12 -1.25 -4.65 117.98 109.78 3irh s PHE 288 Ca 0.17 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 3irh s PHE 288 Cb -0.18 -0.68 0.06 0.00 -0.63 0.00 0.00 43.02 41.59 3irh s PHE 288 CO -0.04 0.05 0.83 0.95 -0.05 0.00 0.00 175.22 176.95 3irh s THR 289 N -1.16 2.50 0.13 -4.49 -4.23 -1.26 -5.01 115.64 102.12 3irh s THR 289 Ca -0.01 -0.67 -0.17 0.00 -1.18 0.00 0.00 61.69 59.65 3irh s THR 289 Cb -0.09 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 3irh s THR 289 CO 0.02 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.08 3irh h LEU 290 N -0.07 0.43 -0.33 4.79 5.85 -2.01 -2.62 115.31 121.34 3irh h LEU 290 Ca -0.40 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.29 3irh h LEU 290 Cb 1.29 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3irh h LEU 290 CO 0.48 0.40 0.01 1.56 -0.34 0.00 0.00 178.44 180.55 3irh h GLN 291 N 0.43 0.11 -0.78 1.25 1.08 -1.99 -0.77 115.11 114.43 3irh h GLN 291 Ca 0.12 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3irh h GLN 291 Cb 0.07 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 3irh h GLN 291 CO -0.02 0.07 0.49 0.93 -0.95 0.00 0.00 178.83 179.35 3irh h GLU 292 N 0.11 0.90 -0.75 1.46 5.08 -1.96 -2.59 114.58 116.83 3irh h GLU 292 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3irh h GLU 292 Cb 0.21 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3irh h GLU 292 CO -0.26 0.59 0.43 -0.92 -1.00 0.00 0.00 179.01 177.86 3irh h TYR 293 N 0.92 1.01 0.00 4.33 3.20 -1.00 -2.94 116.97 122.49 3irh h TYR 293 Ca 0.33 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3irh h TYR 293 Cb 0.08 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.02 3irh h TYR 293 CO -0.04 0.69 0.00 -0.07 -1.64 0.00 0.00 178.16 177.11 3irh h LEU 294 N 1.03 0.00 0.00 2.82 3.38 -0.77 -2.58 115.31 119.19 3irh h LEU 294 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3irh h LEU 294 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3irh h LEU 294 CO -0.05 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.77 3irh n LYS 295 N -2.60 0.60 -3.28 1.13 5.02 -1.11 -4.86 118.16 113.05 3irh n LYS 295 Ca 0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3irh n LYS 295 Cb 0.22 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 3irh n LYS 295 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3irh s LEU 296 N -2.40 4.41 0.32 -0.35 1.43 -0.97 -4.97 118.68 116.15 3irh s LEU 296 Ca 0.34 1.07 -0.06 0.00 -1.03 0.00 0.00 54.13 54.45 3irh s LEU 296 Cb 0.21 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3irh s LEU 296 CO 0.43 0.14 0.49 1.51 0.23 0.00 0.00 176.35 179.15 3irh s ASP 297 N -0.28 0.57 0.30 2.29 -4.77 -1.26 -4.60 116.67 108.92 3irh s ASP 297 Ca 0.29 -1.33 0.06 0.00 -3.30 0.00 0.00 52.55 48.27 3irh s ASP 297 Cb -0.17 0.65 0.75 0.00 -1.09 0.00 0.00 42.92 43.06 3irh s ASP 297 CO 0.15 -1.27 1.75 0.44 0.70 0.00 0.00 175.17 176.94 3irh h ASP 298 N 2.16 0.67 0.64 2.11 3.45 -1.90 -1.84 116.42 121.71 3irh h ASP 298 Ca -0.28 0.11 -0.11 0.00 0.43 0.00 0.00 57.03 57.18 3irh h ASP 298 Cb 1.24 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 3irh h ASP 298 CO 0.39 0.19 -0.51 1.23 -1.57 0.00 0.00 179.24 178.96 3irh h GLY 299 N 0.65 0.00 0.88 2.75 0.00 -1.97 -1.64 103.07 103.74 3irh h GLY 299 Ca 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.91 3irh h GLY 299 CO -0.42 0.00 0.02 -2.08 0.00 0.00 0.00 176.54 174.06 3irh h VAL 300 N 0.00 1.11 0.02 4.60 2.07 -1.71 -1.47 116.25 120.87 3irh h VAL 300 Ca -0.01 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3irh h VAL 300 Cb 0.97 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3irh h VAL 300 CO 0.07 0.09 -0.09 -0.07 0.02 0.00 0.00 177.57 177.59 3irh h LEU 301 N -0.05 -0.26 -0.91 2.57 3.38 -1.34 -2.11 115.31 116.57 3irh h LEU 301 Ca 0.02 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3irh h LEU 301 Cb 0.13 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3irh h LEU 301 CO -0.00 -0.14 0.59 -1.28 0.09 0.00 0.00 178.44 177.70 3irh h SER 302 N -0.17 0.97 -0.71 -0.43 0.87 -1.30 -0.38 113.55 112.39 3irh h SER 302 Ca 0.03 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3irh h SER 302 Cb 0.21 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3irh h SER 302 CO -0.08 0.65 0.30 0.74 -0.53 0.00 0.00 176.83 177.91 3irh h THR 303 N 1.12 1.25 -0.43 2.23 2.02 -1.09 -2.29 112.91 115.72 3irh h THR 303 Ca 0.37 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 3irh h THR 303 Cb 0.05 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3irh h THR 303 CO -0.13 0.30 -0.24 1.88 0.37 0.00 0.00 175.52 177.70 3irh h TYR 304 N 1.02 1.03 -0.88 3.16 0.99 -0.65 -2.88 116.97 118.75 3irh h TYR 304 Ca 0.24 -0.25 0.02 0.00 2.00 0.00 0.00 58.73 60.74 3irh h TYR 304 Cb 0.19 -0.24 -0.05 0.00 1.00 0.00 0.00 36.73 37.63 3irh h TYR 304 CO 0.01 1.04 0.58 0.74 -0.00 0.00 0.00 178.16 180.53 3irh h PHE 305 N 0.77 1.09 -0.74 4.88 0.05 -0.92 -0.97 116.94 121.10 3irh h PHE 305 Ca 0.10 0.03 0.04 0.00 3.82 0.00 0.00 57.97 61.95 3irh h PHE 305 Cb 0.80 -0.37 -0.05 0.00 2.00 0.00 0.00 35.95 38.33 3irh h PHE 305 CO 0.05 0.66 0.46 1.15 -0.18 0.00 0.00 178.31 180.44 3irh h THR 306 N 1.15 1.07 -0.31 -1.55 2.02 -1.25 -1.28 112.91 112.77 3irh h THR 306 Ca 0.34 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 3irh h THR 306 Cb -0.06 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 3irh h THR 306 CO -0.09 0.16 -0.18 1.56 0.37 0.00 0.00 175.52 177.34 3irh h GLN 307 N 0.87 0.56 0.00 6.66 1.08 -1.18 -3.19 115.11 119.92 3irh h GLN 307 Ca 0.30 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3irh h GLN 307 Cb 0.06 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3irh h GLN 307 CO -0.13 0.72 -0.07 -1.49 -0.95 0.00 0.00 178.83 176.91 3irh h TRP 308 N 0.51 0.00 -0.22 2.96 6.55 -0.04 -2.34 115.95 123.37 3irh h TRP 308 Ca 0.08 0.00 0.06 0.00 0.95 0.00 0.00 58.89 59.99 3irh h TRP 308 Cb 0.60 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.89 3irh h TRP 308 CO 0.02 0.07 0.19 0.52 -1.05 0.00 0.00 178.44 178.18 3irh h MET 309 N 0.00 0.00 -0.33 0.49 2.86 -1.40 -1.54 114.93 115.00 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 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3irh h MET 309 CO 0.01 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.73 3irh n ASP 310 N -4.13 3.33 -4.73 1.22 9.92 -0.88 -4.75 116.55 116.53 3irh n ASP 310 Ca 0.02 -1.97 -0.41 0.00 -0.53 0.00 0.00 54.79 51.90 3irh n ASP 310 Cb 0.33 -0.21 -0.04 0.00 -0.64 0.00 0.00 41.12 40.55 3irh n ASP 310 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3irh s VAL 311 N -1.49 4.37 0.00 2.53 1.01 -0.58 -4.93 120.40 121.31 3irh s VAL 311 Ca 0.36 1.96 -0.02 0.00 0.00 0.00 0.00 61.98 64.28 3irh s VAL 311 Cb 0.21 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 3irh s VAL 311 CO 0.30 0.30 1.86 -2.65 0.00 0.00 0.00 175.10 174.91 3irh n PRO 312 N 2.78 0.95 -4.87 2.72 -0.02 -1.26 -4.41 135.00 130.89 3irh n PRO 312 Ca 0.03 -0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 60.89 3irh n PRO 312 Cb 0.49 -1.46 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 3irh n PRO 312 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3irh s ASP 313 N 2.15 3.52 0.15 2.55 2.15 -1.26 -5.04 116.67 120.89 3irh s ASP 313 Ca 0.19 -0.47 -0.11 0.00 0.43 0.00 0.00 52.55 52.60 3irh s ASP 313 Cb 0.09 -1.51 -0.01 0.00 -0.30 0.00 0.00 42.92 41.19 3irh s ASP 313 CO 0.00 0.14 1.53 -1.28 -0.17 0.00 0.00 175.17 175.39 3irh h SER 314 N 6.90 1.01 -0.09 -0.34 0.87 -2.00 -1.35 113.55 118.55 3irh h SER 314 Ca -0.25 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 59.85 3irh h SER 314 Cb 1.22 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3irh h SER 314 CO 0.53 1.20 -0.13 0.40 -0.53 0.00 0.00 176.83 178.30 3irh h ILE 315 N 0.83 1.39 0.23 2.23 2.04 -1.96 -2.46 117.51 119.81 3irh h ILE 315 Ca 0.10 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 3irh h ILE 315 Cb 0.83 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 3irh h ILE 315 CO 0.07 0.39 -0.11 0.25 0.00 0.00 0.00 178.15 178.75 3irh h LEU 316 N -0.20 -0.27 -0.85 1.44 5.85 -1.92 -0.90 115.31 118.46 3irh h LEU 316 Ca 0.01 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.84 3irh h LEU 316 Cb 0.68 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 3irh h LEU 316 CO 0.03 -0.13 0.42 1.23 -0.34 0.00 0.00 178.44 179.65 3irh h GLY 317 N -0.38 1.38 0.75 3.75 0.00 -1.32 -1.18 103.07 106.07 3irh h GLY 317 Ca -0.03 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3irh h GLY 317 CO 0.05 -0.07 -0.27 -1.80 0.00 0.00 0.00 176.54 174.45 3irh h ASP 318 N 0.58 0.45 -0.35 0.19 3.58 -1.06 -2.42 116.42 117.39 3irh h ASP 318 Ca 0.47 -0.57 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 3irh h ASP 318 Cb 0.70 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 3irh h ASP 318 CO -0.38 0.94 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.82 3irh h LEU 319 N -0.02 0.71 -0.49 2.28 3.38 -1.00 0.37 115.31 120.55 3irh h LEU 319 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3irh h LEU 319 Cb 0.87 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3irh h LEU 319 CO 0.06 0.79 0.31 0.00 0.09 0.00 0.00 178.44 179.69 3irh h ALA 320 N 1.29 0.62 -0.11 1.53 0.00 -1.23 -1.44 119.26 119.91 3irh h ALA 320 Ca 0.13 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3irh h ALA 320 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3irh h ALA 320 CO 0.02 0.08 -0.05 -0.22 0.00 0.00 0.00 179.25 179.09 3irh h LYS 321 N 0.65 -0.03 -0.86 0.00 3.64 -1.03 -1.65 116.57 117.29 3irh h LYS 321 Ca 0.18 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3irh h LYS 321 Cb -0.04 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3irh h LYS 321 CO -0.04 -0.02 0.53 0.00 -2.27 0.00 0.00 179.45 177.65 3irh h ARG 322 N -0.04 1.15 -0.21 1.90 3.08 -0.70 0.10 114.38 119.67 3irh h ARG 322 Ca 0.06 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3irh h ARG 322 Cb 0.12 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3irh h ARG 322 CO -0.13 0.79 -0.18 0.35 -1.07 0.00 0.00 179.97 179.73 3irh h PHE 323 N 1.18 0.59 -0.16 3.04 3.57 -1.13 0.21 116.94 124.23 3irh h PHE 323 Ca 0.31 -0.17 -0.21 0.00 3.53 0.00 0.00 57.97 61.43 3irh h PHE 323 Cb -0.08 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3irh h PHE 323 CO 0.00 0.83 -0.72 -0.07 -2.23 0.00 0.00 178.31 176.12 3irh h LEU 324 N 0.18 0.84 -0.71 0.59 3.38 -1.03 -3.22 115.31 115.34 3irh h LEU 324 Ca 0.04 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3irh h LEU 324 Cb 0.72 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3irh h LEU 324 CO 0.05 1.31 -0.03 0.23 0.09 0.00 0.00 178.44 180.09 3irh n MET 325 N -3.93 1.41 -2.77 1.13 2.81 0.33 -4.98 117.12 111.13 3irh n MET 325 Ca -0.06 -0.71 -0.03 0.00 -1.81 0.00 0.00 57.70 55.09 3irh n MET 325 Cb 0.71 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 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 -0.17 -1.53 -3.68 0.03 0.63 -0.80 -5.02 116.66 106.11 3irh n ARG 326 Ca 0.19 1.59 -0.27 0.00 -0.92 0.00 0.00 57.85 58.44 3irh n ARG 326 Cb 0.31 -5.15 -0.11 0.00 0.45 0.00 0.00 32.46 27.96 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 -1.09 1.42 -1.93 -0.14 4.76 0.67 -5.04 118.16 116.81 3irh n LYS 327 Ca 0.04 -4.10 -0.34 0.00 -2.87 0.00 0.00 58.31 51.04 3irh n LYS 327 Cb 0.46 -2.07 0.03 0.00 -1.84 0.00 0.00 35.03 31.61 3irh n LYS 327 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3irh s PRO 328 N -1.16 2.95 0.47 1.97 0.02 -1.26 -4.78 135.00 133.20 3irh s PRO 328 Ca 0.29 1.55 -0.22 0.00 0.02 0.00 0.00 61.00 62.64 3irh s PRO 328 Cb 0.01 -1.96 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 3irh s PRO 328 CO -0.16 -1.16 1.14 -0.51 -0.33 0.00 0.00 177.00 175.98 3irh s LEU 329 N -4.44 3.97 0.61 -5.54 1.43 -1.20 -4.63 118.68 108.89 3irh s LEU 329 Ca 0.71 2.23 -0.06 0.00 -1.03 0.00 0.00 54.13 55.98 3irh s LEU 329 Cb -0.24 -4.32 0.02 0.00 0.03 0.00 0.00 46.19 41.69 3irh s LEU 329 CO 0.36 -0.91 0.92 -0.54 0.23 0.00 0.00 176.35 176.41 3irh s LYS 330 N -2.81 2.75 0.09 1.70 -0.14 0.26 -4.58 119.74 117.01 3irh s LYS 330 Ca 0.65 -0.09 -0.11 0.00 -1.36 0.00 0.00 55.97 55.06 3irh s LYS 330 Cb -0.26 -2.26 0.01 0.00 -1.68 0.00 0.00 37.83 33.64 3irh s LYS 330 CO 0.31 -0.82 0.24 -1.54 -0.76 0.00 0.00 175.35 172.79 3irh s SER 331 N -4.35 0.02 0.01 2.83 1.04 -1.26 -0.78 113.70 111.21 3irh s SER 331 Ca 0.55 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.50 3irh s SER 331 Cb -0.11 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 3irh s SER 331 CO 0.45 -0.72 -0.09 0.00 0.98 0.00 0.00 173.24 173.86 3irh s ALA 332 N -3.58 0.71 0.44 5.32 0.00 -0.67 -4.92 121.76 119.06 3irh s ALA 332 Ca 0.02 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.29 3irh s ALA 332 Cb 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.93 3irh s ALA 332 CO -0.10 0.13 0.99 0.95 0.00 0.00 0.00 175.76 177.73 3irh s THR 333 N -0.50 4.13 0.30 0.00 -4.23 -0.03 -0.11 115.64 115.20 3irh s THR 333 Ca 0.00 1.36 0.03 0.00 -1.18 0.00 0.00 61.69 61.91 3irh s THR 333 Cb -0.05 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 3irh s THR 333 CO 0.00 -0.25 0.16 0.72 -0.54 0.00 0.00 174.62 174.70 3irh s PHE 334 N -2.06 1.58 -0.01 3.99 -0.12 0.19 -1.23 117.98 120.33 3irh s PHE 334 Ca 0.63 -1.36 -0.01 0.00 -0.05 0.00 0.00 56.93 56.13 3irh s PHE 334 Cb -0.13 -0.85 -0.00 0.00 -0.63 0.00 0.00 43.02 41.41 3irh s PHE 334 CO 0.17 -0.52 -0.02 0.25 -0.05 0.00 0.00 175.22 175.04 3irh n THR 335 N -0.56 0.15 -3.50 -4.49 -2.24 -1.26 -4.04 114.28 98.34 3irh n THR 335 Ca 0.01 0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.67 3irh n THR 335 Cb 0.65 -1.39 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 3irh n THR 335 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3irh s ASN 336 N -4.55 6.00 0.26 3.42 2.47 -1.26 -4.92 114.94 116.36 3irh s ASN 336 Ca -0.02 -0.87 -0.02 0.00 0.42 0.00 0.00 52.86 52.37 3irh s ASN 336 Cb 0.00 -2.12 0.56 0.00 -1.45 0.00 0.00 41.25 38.24 3irh s ASN 336 CO 0.03 -0.41 1.67 -0.08 -3.72 0.00 0.00 177.10 174.59 3irh h GLU 337 N 8.56 0.25 -0.57 0.43 4.57 -1.96 0.61 114.58 126.47 3irh h GLU 337 Ca -0.27 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.85 3irh h GLU 337 Cb 1.12 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 3irh h GLU 337 CO 0.70 0.16 0.21 -0.22 -1.18 0.00 0.00 179.01 178.68 3irh h LYS 338 N 0.26 0.87 -0.22 1.92 3.64 -1.99 -0.03 116.57 121.01 3irh h LYS 338 Ca 0.47 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.52 3irh h LYS 338 Cb 0.87 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3irh h LYS 338 CO -0.57 0.77 -0.53 1.49 -2.27 0.00 0.00 179.45 178.34 3irh h GLU 339 N 0.80 0.64 0.00 1.90 4.81 -1.70 -3.18 114.58 117.85 3irh h GLU 339 Ca 0.19 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3irh h GLU 339 Cb 0.24 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3irh h GLU 339 CO -0.01 1.01 0.00 0.43 -0.73 0.00 0.00 179.01 179.71 3irh n SER 340 N -3.98 0.00 -0.07 1.04 7.64 0.20 -4.49 113.62 113.96 3irh n SER 340 Ca -0.03 0.24 -0.08 0.00 1.01 0.00 0.00 58.87 60.01 3irh n SER 340 Cb 0.60 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 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 3.14 0.33 -0.17 -0.43 0.00 -0.98 -0.48 119.26 120.66 3irh h ALA 341 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3irh h ALA 341 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3irh h ALA 341 CO 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 179.25 178.64 3irh h ALA 342 N 1.15 1.11 -0.18 0.00 0.00 -1.83 -1.27 119.26 118.23 3irh h ALA 342 Ca 0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3irh h ALA 342 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3irh h ALA 342 CO -0.09 0.57 -0.04 1.15 0.00 0.00 0.00 179.25 180.84 3irh h THR 343 N 0.31 1.28 -0.51 0.00 2.02 -1.67 -1.34 112.91 112.99 3irh h THR 343 Ca 0.04 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3irh h THR 343 Cb 0.74 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 3irh h THR 343 CO 0.06 0.30 0.33 0.40 0.37 0.00 0.00 175.52 176.98 3irh h ILE 344 N 0.06 1.14 -0.49 3.11 2.04 -1.01 -0.82 117.51 121.54 3irh h ILE 344 Ca 0.05 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3irh h ILE 344 Cb 0.48 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3irh h ILE 344 CO 0.02 0.14 0.31 0.00 0.00 0.00 0.00 178.15 178.61 3irh h ALA 345 N 1.17 0.62 -0.88 1.87 0.00 -1.21 -0.40 119.26 120.44 3irh h ALA 345 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3irh h ALA 345 Cb -0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3irh h ALA 345 CO -0.04 0.10 0.52 -0.92 0.00 0.00 0.00 179.25 178.91 3irh h TYR 346 N 0.66 1.18 -0.25 0.00 5.03 -1.02 -1.94 116.97 120.64 3irh h TYR 346 Ca 0.18 -0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.32 3irh h TYR 346 Cb -0.03 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 37.86 3irh h TYR 346 CO -0.03 0.80 -0.47 -0.07 -1.32 0.00 0.00 178.16 177.07 3irh h LEU 347 N 1.22 0.72 -1.47 2.82 3.38 -0.80 -2.36 115.31 118.82 3irh h LEU 347 Ca 0.32 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3irh h LEU 347 Cb -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3irh h LEU 347 CO -0.06 1.07 0.06 0.03 0.09 0.00 0.00 178.44 179.64 3irh h ARG 348 N 0.53 0.41 -0.67 1.13 3.08 -0.98 -1.07 114.38 116.81 3irh h ARG 348 Ca 0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3irh h ARG 348 Cb 1.01 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 3irh h ARG 348 CO 0.10 0.39 0.18 1.49 -1.07 0.00 0.00 179.97 181.06 3irh h GLU 349 N 0.41 1.06 -0.19 0.04 4.81 -0.87 -0.72 114.58 119.12 3irh h GLU 349 Ca 0.10 -0.25 -0.20 0.00 -0.13 0.00 0.00 59.36 58.88 3irh h GLU 349 Cb 0.17 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3irh h GLU 349 CO -0.00 0.94 -0.68 -0.07 -0.73 0.00 0.00 179.01 178.47 3irh h LEU 350 N 0.99 0.88 -0.44 1.64 3.38 -0.96 -1.16 115.31 119.65 3irh h LEU 350 Ca 0.21 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.71 3irh h LEU 350 Cb 0.35 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3irh h LEU 350 CO -0.00 1.32 0.14 0.40 0.09 0.00 0.00 178.44 180.39 3irh h ILE 351 N 0.55 0.84 -0.39 1.22 2.04 -1.12 -2.38 117.51 118.28 3irh h ILE 351 Ca -0.02 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 3irh h ILE 351 Cb 1.29 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3irh h ILE 351 CO 0.14 0.06 -0.03 -0.08 0.00 0.00 0.00 178.15 178.23 3irh h GLU 352 N 0.30 0.63 0.00 2.37 4.81 -1.04 -2.52 114.58 119.14 3irh h GLU 352 Ca 0.21 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3irh h GLU 352 Cb 0.21 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3irh h GLU 352 CO -0.22 0.68 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.49 3irh h LYS 353 N 0.60 0.00 -0.54 1.92 3.64 -0.70 -2.24 116.57 119.24 3irh h LYS 353 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3irh h LYS 353 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3irh h LYS 353 CO 0.02 0.02 0.00 1.33 -2.27 0.00 0.00 179.45 178.55 3irh n VAL 354 N -3.56 1.60 0.00 2.00 0.24 -0.98 -4.95 118.33 112.68 3irh n VAL 354 Ca -0.03 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.05 3irh n VAL 354 Cb 0.12 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 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 0.84 0.57 3.65 7.63 0.00 -0.84 -5.08 105.19 111.96 3irh n GLY 355 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 3.32 -0.32 1.61 0.40 -1.01 -5.02 117.98 114.97 3irh s PHE 356 Ca 0.00 0.52 -0.29 0.00 -0.60 0.00 0.00 56.93 56.56 3irh s PHE 356 Cb 0.00 -2.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 3irh s PHE 356 CO 0.00 -0.08 1.53 1.21 0.70 0.00 0.00 175.22 178.58 3irh s ASN 357 N 1.25 6.33 0.54 1.36 3.84 -1.26 -3.08 114.94 123.91 3irh s ASN 357 Ca 0.17 1.24 0.32 0.00 0.21 0.00 0.00 52.86 54.79 3irh s ASN 357 Cb -0.15 -2.53 1.41 0.00 -0.55 0.00 0.00 41.25 39.43 3irh s ASN 357 CO 0.08 -1.37 2.01 -0.65 -2.79 0.00 0.00 177.10 174.39 3irh h PRO 358 N 10.86 0.00 -0.55 0.43 0.11 -1.91 -0.86 132.00 140.08 3irh h PRO 358 Ca -0.30 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.86 3irh h PRO 358 Cb 1.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3irh h PRO 358 CO 1.04 0.06 0.36 -0.22 -0.21 0.00 0.00 178.00 179.04 3irh h LYS 359 N 0.00 0.53 0.00 1.05 3.64 -1.90 -0.82 116.57 119.08 3irh h LYS 359 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3irh h LYS 359 Cb 0.48 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3irh h LYS 359 CO 0.01 0.35 -1.63 0.66 -2.27 0.00 0.00 179.45 176.56 3irh n TYR 360 N -4.47 0.00 0.54 1.91 4.02 -0.45 -4.57 117.16 114.14 3irh n TYR 360 Ca 0.07 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.05 3irh n TYR 360 Cb 0.21 -0.33 0.11 0.00 -0.02 0.00 0.00 39.34 39.31 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 -2.00 0.14 -4.34 -0.72 4.02 -0.50 -4.93 117.16 108.83 3irh n TYR 361 Ca -0.03 -0.10 -0.18 0.00 -0.01 0.00 0.00 57.90 57.58 3irh n TYR 361 Cb 0.38 -0.00 -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 -1.38 1.41 0.20 -0.72 -4.23 -0.32 -3.71 115.64 106.90 3irh s THR 362 Ca 0.24 -2.11 -0.22 0.00 -1.18 0.00 0.00 61.69 58.41 3irh s THR 362 Cb 0.16 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.87 3irh s THR 362 CO 0.23 -0.49 0.67 0.00 -0.54 0.00 0.00 174.62 174.49 3irh s ALA 363 N -3.17 -1.46 -0.09 3.99 0.00 -1.15 -4.77 121.76 115.11 3irh s ALA 363 Ca 0.24 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 3irh s ALA 363 Cb 0.03 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.02 3irh s ALA 363 CO 0.07 -0.88 -0.05 0.42 0.00 0.00 0.00 175.76 175.33 3irh s ILE 364 N -3.78 0.75 0.17 0.00 1.01 -1.26 -0.26 121.20 117.83 3irh s ILE 364 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 3irh s ILE 364 Cb -0.03 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 3irh s ILE 364 CO -0.05 0.31 0.24 0.54 0.00 0.00 0.00 174.94 175.98 3irh s ASN 365 N 1.60 0.10 0.21 3.58 6.03 -1.07 -5.01 114.94 120.38 3irh s ASN 365 Ca 0.01 -1.01 0.11 0.00 -1.03 0.00 0.00 52.86 50.94 3irh s ASN 365 Cb -0.13 0.42 -0.04 0.00 -3.03 0.00 0.00 41.25 38.46 3irh s ASN 365 CO -0.05 -0.88 -0.18 -0.55 -2.03 0.00 0.00 177.10 173.41 3irh s SER 366 N -3.01 3.77 0.58 3.54 0.15 -1.26 -1.89 113.70 115.58 3irh s SER 366 Ca 0.22 -0.80 0.37 0.00 0.70 0.00 0.00 55.95 56.43 3irh s SER 366 Cb 0.04 -0.43 1.69 0.00 -1.71 0.00 0.00 66.02 65.61 3irh s SER 366 CO 0.03 0.09 2.10 0.77 1.20 0.00 0.00 173.24 177.43 3irh h SER 367 N 2.85 0.00 0.65 5.45 4.64 -1.87 -2.87 113.55 122.40 3irh h SER 367 Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 3irh h SER 367 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3irh h SER 367 CO 0.53 0.01 -0.23 0.22 -0.87 0.00 0.00 176.83 176.48 3irh h TYR 368 N 0.00 0.00 0.00 4.77 3.20 -1.91 -2.61 116.97 120.42 3irh h TYR 368 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3irh h TYR 368 Cb 0.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3irh h TYR 368 CO 0.00 0.23 0.00 -0.44 -1.64 0.00 0.00 178.16 176.31 3irh h ASP 369 N 0.00 0.00 -3.91 -2.11 3.32 -1.91 -3.45 116.42 108.35 3irh h ASP 369 Ca -0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.58 3irh h ASP 369 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3irh h ASP 369 CO 0.03 0.00 0.23 -0.76 -1.72 0.00 0.00 179.24 177.02 3irh s LEU 370 N -5.74 4.00 -0.49 1.55 1.43 -0.99 -4.94 118.68 113.51 3irh s LEU 370 Ca 0.01 1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.56 3irh s LEU 370 Cb 0.09 -4.33 -0.17 0.00 0.03 0.00 0.00 46.19 41.81 3irh s LEU 370 CO 0.49 -0.29 2.98 -0.81 0.23 0.00 0.00 176.35 178.95 3irh n PRO 371 N -0.50 2.21 -3.69 1.29 -0.04 -1.26 -4.65 135.00 128.36 3irh n PRO 371 Ca 0.05 -1.24 -0.29 0.00 -0.04 0.00 0.00 63.50 61.99 3irh n PRO 371 Cb 0.54 -2.19 -0.15 0.00 -0.04 0.00 0.00 33.50 31.65 3irh n PRO 371 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3irh s TYR 372 N 1.77 1.20 -0.16 0.54 2.02 -1.26 -5.12 117.35 116.34 3irh s TYR 372 Ca 0.58 -1.31 -0.13 0.00 -0.37 0.00 0.00 57.07 55.84 3irh s TYR 372 Cb 0.23 -1.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.40 3irh s TYR 372 CO -0.02 -0.80 0.27 0.16 -1.57 0.00 0.00 175.55 173.59 3irh s ASP 373 N 1.79 6.42 0.54 2.29 -4.77 -1.26 -4.95 116.67 116.73 3irh s ASP 373 Ca 0.07 0.49 -0.18 0.00 -3.30 0.00 0.00 52.55 49.63 3irh s ASP 373 Cb -0.17 -2.17 -0.06 0.00 -1.09 0.00 0.00 42.92 39.43 3irh s ASP 373 CO -0.24 0.14 1.04 -0.36 0.70 0.00 0.00 175.17 176.45 3irh s PHE 374 N 0.28 3.05 -0.38 2.11 0.08 -1.26 -4.98 117.98 116.88 3irh s PHE 374 Ca 0.16 1.53 -0.29 0.00 0.12 0.00 0.00 56.93 58.45 3irh s PHE 374 Cb -0.13 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 3irh s PHE 374 CO 0.03 -0.89 1.53 -0.47 -0.10 0.00 0.00 175.22 175.33 3irh s TYR 375 N -2.28 2.22 -0.38 0.36 5.04 -1.26 -4.95 117.35 116.10 3irh s TYR 375 Ca 0.64 0.65 0.01 0.00 -2.44 0.00 0.00 57.07 55.93 3irh s TYR 375 Cb -0.15 -4.26 0.13 0.00 0.35 0.00 0.00 41.96 38.03 3irh s TYR 375 CO 0.29 -2.29 0.19 1.03 -1.34 0.00 0.00 175.55 173.43 3irh s ARG 376 N 5.15 0.89 0.69 4.97 0.52 -1.26 -4.56 118.95 125.35 3irh s ARG 376 Ca 0.67 -1.52 -0.13 0.00 -0.52 0.00 0.00 55.73 54.24 3irh s ARG 376 Cb -0.16 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.42 3irh s ARG 376 CO 0.33 -1.13 1.08 -1.25 0.02 0.00 0.00 175.30 174.36 3irh s PRO 377 N 0.95 2.74 -0.07 3.54 0.04 -1.26 -4.93 135.00 136.01 3irh s PRO 377 Ca 0.15 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 3irh s PRO 377 Cb -0.22 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.41 3irh s PRO 377 CO -0.07 -1.27 0.16 1.21 0.04 0.00 0.00 177.00 177.07 3irh s ASN 378 N -3.16 0.02 0.48 6.66 3.84 -1.26 -5.04 114.94 116.48 3irh s ASN 378 Ca 0.62 0.33 0.15 0.00 0.21 0.00 0.00 52.86 54.18 3irh s ASN 378 Cb -0.17 0.23 1.15 0.00 -0.55 0.00 0.00 41.25 41.91 3irh s ASN 378 CO 0.48 -0.17 2.07 0.50 -2.79 0.00 0.00 177.10 177.20 3irh h LYS 379 N 7.44 0.21 0.00 0.43 3.64 -2.00 -1.93 116.57 124.35 3irh h LYS 379 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3irh h LYS 379 Cb 1.14 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3irh h LYS 379 CO 0.37 0.14 -0.29 -3.47 -2.27 0.00 0.00 179.45 173.93 3irh n ASP 380 N -4.48 0.67 -3.93 4.20 2.03 -1.26 -4.71 116.55 109.07 3irh n ASP 380 Ca 0.03 0.33 -0.31 0.00 0.52 0.00 0.00 54.79 55.36 3irh n ASP 380 Cb 0.23 -0.31 -0.15 0.00 -0.72 0.00 0.00 41.12 40.17 3irh n ASP 380 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3irh s ARG 381 N -3.11 1.37 0.26 -0.67 0.52 -0.73 -5.01 118.95 111.58 3irh s ARG 381 Ca 0.09 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 53.85 3irh s ARG 381 Cb 0.14 -2.73 0.33 0.00 0.52 0.00 0.00 34.95 33.20 3irh s ARG 381 CO 0.65 -0.85 1.75 1.25 0.02 0.00 0.00 175.30 178.12 3irh h HIS 382 N 7.82 0.84 0.00 -0.53 2.76 -1.84 -2.49 115.15 121.71 3irh h HIS 382 Ca -0.11 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 3irh h HIS 382 Cb 1.03 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.76 3irh h HIS 382 CO 0.46 0.78 0.00 0.54 -1.30 0.00 0.00 177.93 178.41 3irh n ARG 383 N -4.21 0.43 0.00 5.26 5.12 -1.26 -2.73 116.66 119.27 3irh n ARG 383 Ca 0.02 0.05 0.12 0.00 -1.93 0.00 0.00 57.85 56.12 3irh n ARG 383 Cb 0.31 -1.50 0.29 0.00 -1.16 0.00 0.00 32.46 30.39 3irh n ARG 383 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3irh n THR 384 N -1.22 0.00 -4.06 0.55 -2.24 -0.94 -4.39 114.28 101.99 3irh n THR 384 Ca 0.13 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.58 3irh n THR 384 Cb 0.16 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3irh n THR 384 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3irh s GLN 385 N -2.97 3.05 -0.29 -0.78 -0.21 -1.10 -4.13 119.66 113.22 3irh s GLN 385 Ca 0.12 -0.55 -0.10 0.00 0.02 0.00 0.00 55.36 54.85 3irh s GLN 385 Cb 0.18 -2.84 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 3irh s GLN 385 CO 0.68 0.62 0.16 0.42 -2.12 0.00 0.00 175.29 175.05 3irh s ILE 386 N -1.30 4.96 -0.13 1.08 1.01 -1.26 -4.71 121.20 120.85 3irh s ILE 386 Ca 0.26 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 3irh s ILE 386 Cb -0.12 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3irh s ILE 386 CO 0.18 0.21 0.23 -1.61 0.00 0.00 0.00 174.94 173.95 3irh s GLU 387 N 1.70 3.96 -0.08 2.79 0.41 -1.26 -1.68 118.70 124.53 3irh s GLU 387 Ca 0.06 0.01 -0.02 0.00 -0.41 0.00 0.00 54.97 54.62 3irh s GLU 387 Cb -0.16 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 28.83 3irh s GLU 387 CO 0.08 0.47 -0.01 -0.51 -0.49 0.00 0.00 175.26 174.81 3irh s LEU 388 N -0.20 3.54 -0.30 1.80 1.43 0.80 -1.83 118.68 123.91 3irh s LEU 388 Ca 0.15 0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 3irh s LEU 388 Cb -0.13 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 3irh s LEU 388 CO 0.04 0.38 0.11 -0.32 0.23 0.00 0.00 176.35 176.79 3irh s MET 389 N -0.87 3.26 0.72 1.70 1.75 0.83 -0.97 119.30 125.72 3irh s MET 389 Ca 0.13 -0.76 -0.13 0.00 -1.25 0.00 0.00 55.69 53.68 3irh s MET 389 Cb -0.11 -3.45 0.03 0.00 2.84 0.00 0.00 34.83 34.14 3irh s MET 389 CO 0.02 -0.40 1.11 -0.65 -0.65 0.00 0.00 175.02 174.45 3irh s GLN 390 N 1.56 2.44 0.15 4.11 -0.21 0.88 -1.49 119.66 127.10 3irh s GLN 390 Ca 0.04 1.35 0.11 0.00 0.02 0.00 0.00 55.36 56.88 3irh s GLN 390 Cb -0.17 -1.91 0.58 0.00 1.00 0.00 0.00 33.01 32.51 3irh s GLN 390 CO 0.04 -1.52 1.34 0.36 -2.12 0.00 0.00 175.29 173.39 3irh n LYS 391 N -2.95 0.07 0.00 2.91 -0.00 -1.26 0.19 118.16 117.12 3irh n LYS 391 Ca 0.10 0.54 0.14 0.00 -0.00 0.00 0.00 58.31 59.09 3irh n LYS 391 Cb 0.52 -1.71 0.54 0.00 -0.00 0.00 0.00 35.03 34.38 3irh n LYS 391 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3irh n ASP 392 N -1.86 0.90 0.00 -5.58 5.75 -1.26 -4.92 116.55 109.58 3irh n ASP 392 Ca -0.00 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 3irh n ASP 392 Cb 0.04 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 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 1.25 0.76 3.84 6.12 0.00 0.13 -5.07 105.19 112.22 3irh n GLY 393 Ca 0.16 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3irh n GLY 393 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3irh s SER 394 N -2.08 6.78 -0.16 1.61 0.15 -1.23 -4.83 113.70 113.94 3irh s SER 394 Ca 0.00 0.93 -0.06 0.00 0.70 0.00 0.00 55.95 57.52 3irh s SER 394 Cb 0.00 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 3irh s SER 394 CO 0.00 0.32 0.06 -0.76 1.20 0.00 0.00 173.24 174.06 3irh s LEU 395 N -1.12 3.82 0.01 3.45 1.43 -1.26 -0.09 118.68 124.92 3irh s LEU 395 Ca 0.24 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3irh s LEU 395 Cb -0.16 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3irh s LEU 395 CO 0.13 0.23 -0.11 0.68 0.23 0.00 0.00 176.35 177.51 3irh s VAL 396 N 0.02 0.84 0.38 -1.59 -7.23 -0.14 -4.95 120.40 107.72 3irh s VAL 396 Ca 0.05 -0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 59.39 3irh s VAL 396 Cb -0.12 -0.74 -0.10 0.00 0.56 0.00 0.00 36.38 35.98 3irh s VAL 396 CO 0.01 0.09 0.85 -1.83 -0.31 0.00 0.00 175.10 173.91 3irh s GLU 397 N -0.64 4.14 0.19 4.82 4.04 -1.26 -0.14 118.70 129.84 3irh s GLU 397 Ca 0.02 0.92 -0.12 0.00 0.04 0.00 0.00 54.97 55.83 3irh s GLU 397 Cb -0.06 -2.32 0.16 0.00 0.02 0.00 0.00 34.13 31.93 3irh s GLU 397 CO 0.00 0.07 1.79 1.25 -1.84 0.00 0.00 175.26 176.53 3irh h LEU 398 N 2.12 0.42 -1.04 1.83 5.85 -1.70 -2.94 115.31 119.85 3irh h LEU 398 Ca -0.48 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 3irh h LEU 398 Cb 1.18 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3irh h LEU 398 CO 0.63 0.29 -0.23 0.00 -0.34 0.00 0.00 178.44 178.78 3irh h ALA 399 N 1.29 1.19 0.00 1.25 0.00 -1.88 -0.68 119.26 120.43 3irh h ALA 399 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3irh h ALA 399 Cb 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3irh h ALA 399 CO -0.16 0.52 -0.05 1.79 0.00 0.00 0.00 179.25 181.35 3irh h THR 400 N 0.36 0.56 -0.00 0.00 1.35 -1.93 -2.99 112.91 110.26 3irh h THR 400 Ca 0.06 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3irh h THR 400 Cb 0.61 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3irh h THR 400 CO 0.04 0.05 -0.23 1.33 -0.25 0.00 0.00 175.52 176.46 3irh n VAL 401 N -3.78 0.00 -4.04 6.82 0.24 -0.93 -4.91 118.33 111.73 3irh n VAL 401 Ca -0.03 -0.38 -0.32 0.00 -2.04 0.00 0.00 64.34 61.57 3irh n VAL 401 Cb 0.15 1.06 -0.15 0.00 -1.47 0.00 0.00 33.84 33.43 3irh n VAL 401 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3irh s SER 402 N -1.36 4.47 0.38 -1.34 0.15 -0.31 -4.98 113.70 110.71 3irh s SER 402 Ca 0.05 -1.58 0.10 0.00 0.70 0.00 0.00 55.95 55.22 3irh s SER 402 Cb 0.06 -1.52 0.87 0.00 -1.71 0.00 0.00 66.02 63.72 3irh s SER 402 CO 0.24 -0.25 1.92 -0.65 1.20 0.00 0.00 173.24 175.70 3irh h PRO 403 N 7.75 0.60 0.01 5.44 0.11 -1.89 -1.48 132.00 142.54 3irh h PRO 403 Ca -0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 3irh h PRO 403 Cb 1.04 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3irh h PRO 403 CO 0.47 0.40 -0.00 1.25 -0.21 0.00 0.00 178.00 179.90 3irh h LEU 404 N 0.62 -0.01 -0.83 2.35 5.85 -1.93 -0.89 115.31 120.47 3irh h LEU 404 Ca 0.36 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3irh h LEU 404 Cb 0.57 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3irh h LEU 404 CO -0.13 0.41 0.42 0.58 -0.34 0.00 0.00 178.44 179.37 3irh h VAL 405 N -0.43 1.25 -0.70 1.05 2.07 -1.88 -2.15 116.25 115.46 3irh h VAL 405 Ca -0.00 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3irh h VAL 405 Cb 0.42 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3irh h VAL 405 CO 0.00 0.30 0.46 0.00 0.02 0.00 0.00 177.57 178.35 3irh h ALA 406 N 1.22 1.62 -0.01 1.67 0.00 -1.21 -1.44 119.26 121.10 3irh h ALA 406 Ca 0.29 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 3irh h ALA 406 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3irh h ALA 406 CO -0.04 0.30 -0.69 0.00 0.00 0.00 0.00 179.25 178.83 3irh h ALA 407 N 1.59 0.83 0.20 0.00 0.00 -0.59 -1.50 119.26 119.80 3irh h ALA 407 Ca 0.28 -0.61 -0.35 0.00 0.00 0.00 0.00 54.91 54.23 3irh h ALA 407 Cb 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3irh h ALA 407 CO -0.08 0.83 -1.68 -0.07 0.00 0.00 0.00 179.25 178.25 3irh h LEU 408 N 0.05 0.67 -1.46 0.00 3.38 -1.08 -2.79 115.31 114.08 3irh h LEU 408 Ca -0.01 -0.91 -0.04 0.00 0.09 0.00 0.00 57.88 57.01 3irh h LEU 408 Cb 1.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3irh h LEU 408 CO 0.10 1.76 -0.03 0.00 0.09 0.00 0.00 178.44 180.35 3irh h ALA 409 N 0.14 1.57 0.00 1.53 0.00 -1.36 -2.86 119.26 118.28 3irh h ALA 409 Ca -0.32 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3irh h ALA 409 Cb 2.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 3irh h ALA 409 CO 0.20 0.32 -0.50 0.78 0.00 0.00 0.00 179.25 180.05 3irh h GLY 410 N 0.65 0.00 -3.35 0.00 0.00 -1.28 -3.13 103.07 95.96 3irh h GLY 410 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.96 3irh h GLY 410 CO 0.01 0.00 0.37 -1.06 0.00 0.00 0.00 176.54 175.86 3irh n GLN 411 N -3.72 2.24 -2.61 4.80 6.02 -1.06 -4.98 117.38 118.08 3irh n GLN 411 Ca -0.01 -3.17 -0.41 0.00 -0.01 0.00 0.00 57.00 53.39 3irh n GLN 411 Cb 0.55 -2.08 -0.04 0.00 1.02 0.00 0.00 30.24 29.70 3irh n GLN 411 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3irh s SER 412 N -1.91 7.33 -0.18 1.08 0.01 -1.15 -5.02 113.70 113.86 3irh s SER 412 Ca 0.54 1.88 -0.22 0.00 1.31 0.00 0.00 55.95 59.47 3irh s SER 412 Cb 0.46 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 64.16 3irh s SER 412 CO 0.05 -0.23 0.58 -1.58 0.41 0.00 0.00 173.24 172.47 3irh s GLN 413 N 0.33 0.74 -0.13 12.44 -0.44 -1.26 -5.11 119.66 126.23 3irh s GLN 413 Ca 0.51 0.67 -0.02 0.00 -2.50 0.00 0.00 55.36 54.02 3irh s GLN 413 Cb -0.26 0.36 -0.02 0.00 -1.64 0.00 0.00 33.01 31.45 3irh s GLN 413 CO 0.31 -0.12 -0.07 0.20 0.50 0.00 0.00 175.29 176.10 3irh s GLY 414 N -0.02 1.67 0.82 2.59 0.00 -1.26 -4.92 107.32 106.20 3irh s GLY 414 Ca -0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 44.72 43.77 3irh s GLY 414 CO 0.02 -0.20 1.13 0.51 0.00 0.00 0.00 173.10 174.57 3irh s ASP 415 N 0.16 3.90 -0.04 1.64 3.84 -1.26 -4.84 116.67 120.07 3irh s ASP 415 Ca -0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 52.55 52.50 3irh s ASP 415 Cb -0.14 -0.26 0.03 0.00 -1.38 0.00 0.00 42.92 41.16 3irh s ASP 415 CO 0.03 -2.19 0.03 -1.61 -0.00 0.00 0.00 175.17 171.44 3irh s GLU 416 N -5.46 0.16 0.05 2.11 0.41 -1.26 -3.31 118.70 111.41 3irh s GLU 416 Ca 0.69 0.24 0.07 0.00 -0.41 0.00 0.00 54.97 55.56 3irh s GLU 416 Cb -0.05 -0.60 -0.03 0.00 -1.78 0.00 0.00 34.13 31.67 3irh s GLU 416 CO 0.48 -0.28 -0.20 1.03 -0.49 0.00 0.00 175.26 175.80 3irh s ARG 417 N 1.83 1.30 -0.20 1.61 0.52 -0.79 -0.64 118.95 122.58 3irh s ARG 417 Ca 0.01 -0.95 -0.05 0.00 -0.52 0.00 0.00 55.73 54.22 3irh s ARG 417 Cb -0.12 -1.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.90 3irh s ARG 417 CO -0.03 0.36 -0.00 0.12 0.02 0.00 0.00 175.30 175.76 3irh s PHE 418 N -0.86 3.03 0.05 -0.53 5.36 0.85 -2.59 117.98 123.29 3irh s PHE 418 Ca 0.07 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 55.53 3irh s PHE 418 Cb -0.09 -2.09 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 3irh s PHE 418 CO 0.02 -0.27 0.22 0.71 -1.46 0.00 0.00 175.22 174.45 3irh s TYR 419 N 1.05 3.52 0.06 10.12 1.51 0.64 -1.67 117.35 132.59 3irh s TYR 419 Ca 0.02 0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 56.13 3irh s TYR 419 Cb -0.14 -1.81 0.09 0.00 -0.11 0.00 0.00 41.96 39.98 3irh s TYR 419 CO 0.01 0.59 0.74 -0.59 -1.11 0.00 0.00 175.55 175.19 3irh s PHE 420 N -1.48 -0.46 0.34 2.71 -0.12 0.04 -2.92 117.98 116.10 3irh s PHE 420 Ca 0.34 0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 57.29 3irh s PHE 420 Cb -0.13 0.53 -0.11 0.00 -0.63 0.00 0.00 43.02 42.69 3irh s PHE 420 CO 0.25 -0.68 1.43 -2.14 -0.05 0.00 0.00 175.22 174.03 3irh s PRO 421 N -3.16 4.21 0.35 1.99 0.02 -1.24 -0.57 135.00 136.59 3irh s PRO 421 Ca 0.01 2.42 0.05 0.00 0.02 0.00 0.00 61.00 63.50 3irh s PRO 421 Cb -0.01 -3.03 0.70 0.00 0.02 0.00 0.00 34.50 32.19 3irh s PRO 421 CO -0.09 -0.41 1.95 -0.22 -0.33 0.00 0.00 177.00 177.90 3irh h LYS 422 N 3.56 0.79 -0.07 5.54 3.64 -1.92 -2.00 116.57 126.11 3irh h LYS 422 Ca -0.49 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.86 3irh h LYS 422 Cb 1.23 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3irh h LYS 422 CO 0.68 0.52 0.32 1.05 -2.27 0.00 0.00 179.45 179.74 3irh h GLU 423 N 0.81 0.00 0.00 1.90 9.09 -1.97 0.26 114.58 124.67 3irh h GLU 423 Ca 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.74 3irh h GLU 423 Cb 0.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3irh h GLU 423 CO -0.11 0.00 -0.02 0.52 0.05 0.00 0.00 179.01 179.45 3irh h MET 424 N 0.00 0.00 -4.63 1.06 2.86 -1.74 -3.37 114.93 109.11 3irh h MET 424 Ca 0.03 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 56.98 3irh h MET 424 Cb 0.67 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.00 3irh h MET 424 CO -0.00 0.02 -0.61 -0.51 1.06 0.00 0.00 176.91 176.86 3irh s LEU 425 N -6.61 4.57 0.00 1.22 1.43 0.91 -4.52 118.68 115.68 3irh s LEU 425 Ca -0.04 -1.56 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 3irh s LEU 425 Cb 0.13 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3irh s LEU 425 CO 0.48 -0.40 0.00 -0.90 0.23 0.00 0.00 176.35 175.76 3irh n ASP 426 N 4.66 0.00 -4.14 2.29 5.75 -1.26 -4.99 116.55 118.86 3irh n ASP 426 Ca -0.09 -0.54 -0.35 0.00 -0.01 0.00 0.00 54.79 53.80 3irh n ASP 426 Cb 0.43 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.39 3irh n ASP 426 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3irh s ASN 429 N 0.19 5.11 0.12 -1.12 -0.87 -1.26 -5.15 114.94 111.96 3irh s ASN 429 Ca 0.00 -1.77 0.11 0.00 -1.57 0.00 0.00 52.86 49.63 3irh s ASN 429 Cb 0.00 -1.78 -0.04 0.00 -0.02 0.00 0.00 41.25 39.41 3irh s ASN 429 CO 0.00 -0.43 -0.25 -1.59 -2.57 0.00 0.00 177.10 172.25 3irh s LYS 430 N 1.17 1.49 0.35 -0.60 -2.85 -1.26 -5.05 119.74 112.98 3irh s LYS 430 Ca 0.04 -1.31 0.05 0.00 -1.00 0.00 0.00 55.97 53.76 3irh s LYS 430 Cb -0.21 -1.94 0.64 0.00 -2.06 0.00 0.00 37.83 34.25 3irh s LYS 430 CO -0.03 0.46 1.88 0.87 0.10 0.00 0.00 175.35 178.63 3irh h LYS 431 N 3.92 0.47 -5.21 1.78 1.79 -2.07 -3.43 116.57 113.82 3irh h LYS 431 Ca -0.51 -0.10 -0.43 0.00 -2.18 0.00 0.00 60.65 57.43 3irh h LYS 431 Cb 1.17 -0.07 -0.25 0.00 -1.58 0.00 0.00 32.23 31.50 3irh h LYS 431 CO 0.40 0.52 -0.79 -1.01 -1.08 0.00 0.00 179.45 177.49 3irh s HIS 432 N -4.92 1.15 -0.42 -1.35 3.76 -1.26 -5.12 115.29 107.13 3irh s HIS 432 Ca -0.07 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.46 3irh s HIS 432 Cb 0.15 -0.69 0.11 0.00 1.11 0.00 0.00 32.58 33.26 3irh s HIS 432 CO 0.76 0.02 0.24 0.71 -0.85 0.00 0.00 174.74 175.62 3irh s TYR 433 N -0.76 3.52 0.58 1.40 2.02 -1.26 -4.99 117.35 117.87 3irh s TYR 433 Ca 0.01 -2.21 -0.18 0.00 -0.37 0.00 0.00 57.07 54.33 3irh s TYR 433 Cb -0.07 -3.27 -0.04 0.00 -0.40 0.00 0.00 41.96 38.18 3irh s TYR 433 CO 0.01 -0.97 1.12 0.34 -1.57 0.00 0.00 175.55 174.48 3irh s ASP 434 N 2.08 5.52 0.00 2.29 2.15 -1.26 -4.83 116.67 122.61 3irh s ASP 434 Ca 0.07 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.15 3irh s ASP 434 Cb -0.24 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.81 3irh s ASP 434 CO -0.03 -1.36 0.69 0.18 -0.17 0.00 0.00 175.17 174.49 3irh n LEU 435 N -1.70 0.00 -0.07 -1.34 4.77 -1.26 0.86 117.00 118.26 3irh n LEU 435 Ca 0.11 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 3irh n LEU 435 Cb 0.51 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 3irh n LEU 435 CO 0.44 -0.19 -0.93 0.33 -1.33 0.00 0.00 177.39 175.71 3irh n PHE 436 N -1.19 0.39 0.35 -1.77 7.35 -1.26 -3.77 117.46 117.56 3irh n PHE 436 Ca 0.00 0.14 0.12 0.00 -0.76 0.00 0.00 57.45 56.95 3irh n PHE 436 Cb 0.00 -1.07 0.25 0.00 0.35 0.00 0.00 39.48 39.02 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 0.00 0.00 -0.18 -2.13 3.32 0.13 -3.25 116.42 114.32 3irh h ASP 437 Ca -0.45 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 3irh h ASP 437 Cb 2.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.69 3irh h ASP 437 CO 0.05 0.00 -0.34 -0.08 -1.72 0.00 0.00 179.24 177.14 3irh h GLU 438 N 0.00 0.70 -0.86 3.56 4.57 -0.57 -3.26 114.58 118.72 3irh h GLU 438 Ca 0.00 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 3irh h GLU 438 Cb 0.91 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.43 3irh h GLU 438 CO 0.00 0.94 0.55 1.15 -1.18 0.00 0.00 179.01 180.46 3irh h THR 439 N 0.58 1.10 -0.51 0.32 2.02 -1.65 0.11 112.91 114.89 3irh h THR 439 Ca 0.06 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 3irh h THR 439 Cb 0.86 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3irh h THR 439 CO 0.07 0.19 -0.04 1.88 0.37 0.00 0.00 175.52 177.99 3irh h TYR 440 N 1.04 0.97 -0.33 3.16 0.05 -1.73 0.25 116.97 120.38 3irh h TYR 440 Ca 0.35 -0.16 -0.12 0.00 0.05 0.00 0.00 58.73 58.85 3irh h TYR 440 Cb 0.06 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3irh h TYR 440 CO -0.02 0.90 -0.27 -0.09 -1.05 0.00 0.00 178.16 177.63 3irh h ARG 441 N 0.82 0.76 -0.07 4.88 2.43 -1.53 -1.70 114.38 119.97 3irh h ARG 441 Ca 0.15 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 58.94 3irh h ARG 441 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3irh h ARG 441 CO 0.03 1.00 0.00 1.49 -1.51 0.00 0.00 179.97 180.99 3irh h GLU 442 N 0.53 0.03 -0.42 0.20 4.57 -0.52 -3.07 114.58 115.90 3irh h GLU 442 Ca 0.06 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 3irh h GLU 442 Cb 0.84 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 3irh h GLU 442 CO 0.07 0.02 0.16 0.35 -1.18 0.00 0.00 179.01 178.43 3irh h PHE 443 N 0.03 0.29 -0.71 0.92 3.57 -0.39 -2.88 116.94 117.76 3irh h PHE 443 Ca 0.03 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.63 3irh h PHE 443 Cb 0.03 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3irh h PHE 443 CO -0.11 0.12 0.47 0.77 -2.23 0.00 0.00 178.31 177.33 3irh h SER 444 N 0.34 0.61 0.23 0.41 0.02 -1.29 -1.95 113.55 111.92 3irh h SER 444 Ca 0.19 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3irh h SER 444 Cb 0.16 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3irh h SER 444 CO -0.18 0.39 0.00 -1.54 -1.14 0.00 0.00 176.83 174.36 3irh n SER 445 N -4.48 0.00 -0.19 3.07 3.41 -1.09 -1.22 113.62 113.12 3irh n SER 445 Ca 0.11 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3irh n SER 445 Cb 0.27 -0.49 0.21 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.49 0.00 -4.17 7.33 4.02 -0.73 -4.84 117.16 117.27 3irh n TYR 446 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 3irh n TYR 446 Cb 0.08 -0.12 -0.12 0.00 -0.02 0.00 0.00 39.34 39.15 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 -2.70 3.91 -0.16 -0.72 -1.09 -0.36 0.21 121.20 120.29 3irh s ILE 447 Ca 0.17 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.19 3irh s ILE 447 Cb 0.18 -2.75 0.07 0.00 -1.58 0.00 0.00 42.46 38.38 3irh s ILE 447 CO 0.63 0.45 0.36 -2.28 -1.23 0.00 0.00 174.94 172.86 3irh s HIS 448 N 0.81 -0.61 -1.46 3.97 2.46 0.13 -4.88 115.29 115.71 3irh s HIS 448 Ca -0.00 1.25 -0.10 0.00 0.47 0.00 0.00 55.06 56.68 3irh s HIS 448 Cb -0.14 0.17 0.04 0.00 -0.13 0.00 0.00 32.58 32.52 3irh s HIS 448 CO 0.02 -0.40 0.91 0.09 -2.47 0.00 0.00 174.74 172.89 3irh n ASN 449 N 5.06 -5.51 -0.07 9.88 5.03 -1.26 -1.90 115.26 126.49 3irh n ASN 449 Ca -0.12 -0.55 -0.01 0.00 0.87 0.00 0.00 54.58 54.78 3irh n ASN 449 Cb 0.51 -4.40 -0.00 0.00 -1.02 0.00 0.00 39.78 34.86 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 -1.70 0.39 3.29 7.41 0.00 -1.26 -5.00 105.19 108.33 3irh n GLY 450 Ca -0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.71 1.79 0.46 4.61 0.00 -0.80 -0.85 121.76 125.26 3irh s ALA 451 Ca 0.00 -1.38 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 3irh s ALA 451 Cb 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.90 3irh s ALA 451 CO 0.00 0.20 1.23 -0.51 0.00 0.00 0.00 175.76 176.68 3irh s LEU 452 N -2.48 4.03 -0.22 0.00 1.43 -0.36 -0.69 118.68 120.38 3irh s LEU 452 Ca 0.12 2.47 -0.09 0.00 -1.03 0.00 0.00 54.13 55.60 3irh s LEU 452 Cb -0.06 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 3irh s LEU 452 CO 0.05 -1.02 0.12 -0.69 0.23 0.00 0.00 176.35 175.04 3irh s VAL 453 N -1.43 5.07 0.16 -1.59 1.01 0.13 -4.83 120.40 118.93 3irh s VAL 453 Ca 0.63 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 3irh s VAL 453 Cb -0.33 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 3irh s VAL 453 CO 0.41 0.38 1.11 -0.76 0.00 0.00 0.00 175.10 176.24 3irh s LEU 454 N 0.91 4.47 0.60 3.92 1.43 -1.26 -4.85 118.68 123.89 3irh s LEU 454 Ca 0.06 2.07 0.20 0.00 -1.03 0.00 0.00 54.13 55.43 3irh s LEU 454 Cb -0.13 -3.60 1.08 0.00 0.03 0.00 0.00 46.19 43.57 3irh s LEU 454 CO 0.03 -0.26 1.58 0.50 0.23 0.00 0.00 176.35 178.44 3irh h LYS 455 N 5.35 0.00 0.00 1.70 3.64 -1.93 -3.51 116.57 121.82 3irh h LYS 455 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3irh h LYS 455 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3irh h LYS 455 CO 0.73 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 179.08