#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irh s ILE 3 N 0.00 5.05 0.44 1.09 1.01 -1.26 -5.07 121.20 122.46 3irh s ILE 3 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 60.65 61.30 3irh s ILE 3 Cb 0.00 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 3irh s ILE 3 CO 0.00 0.49 1.37 -0.81 0.00 0.00 0.00 174.94 176.00 3irh n PRO 4 N 2.43 2.15 -0.32 2.79 -0.04 -1.26 -4.85 135.00 135.90 3irh n PRO 4 Ca -0.11 0.76 0.07 0.00 -0.04 0.00 0.00 63.50 64.18 3irh n PRO 4 Cb 0.52 -2.54 0.23 0.00 -0.04 0.00 0.00 33.50 31.67 3irh n PRO 4 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3irh h TYR 5 N 2.24 0.92 -0.98 0.54 3.20 -1.89 -0.96 116.97 120.03 3irh h TYR 5 Ca -0.50 0.03 0.30 0.00 3.14 0.00 0.00 58.73 61.71 3irh h TYR 5 Cb 1.28 -0.27 -0.18 0.00 1.54 0.00 0.00 36.73 39.09 3irh h TYR 5 CO 0.49 0.29 0.18 -0.22 -1.64 0.00 0.00 178.16 177.26 3irh h LYS 6 N 0.77 0.03 -0.02 1.82 1.63 -1.85 -2.42 116.57 116.53 3irh h LYS 6 Ca 0.47 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 3irh h LYS 6 Cb 0.59 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3irh h LYS 6 CO -0.32 0.02 -0.09 0.39 -3.45 0.00 0.00 179.45 176.00 3irh n GLU 7 N -5.40 1.53 -1.76 1.90 1.02 -0.40 -4.96 120.64 112.57 3irh n GLU 7 Ca 0.27 -1.39 -0.43 0.00 -0.02 0.00 0.00 57.16 55.59 3irh n GLU 7 Cb 0.88 -1.33 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 3irh n GLU 7 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3irh s GLN 8 N -1.62 3.47 0.10 3.49 -0.21 -0.91 -4.97 119.66 119.01 3irh s GLN 8 Ca 0.19 1.99 -0.02 0.00 0.02 0.00 0.00 55.36 57.54 3irh s GLN 8 Cb 0.15 -4.25 -0.05 0.00 1.00 0.00 0.00 33.01 29.86 3irh s GLN 8 CO 0.28 -1.71 0.29 1.03 -2.12 0.00 0.00 175.29 173.05 3irh s ARG 9 N 5.60 3.52 0.36 2.91 1.81 -1.26 -0.31 118.95 131.58 3irh s ARG 9 Ca 0.90 -0.28 -0.27 0.00 -1.72 0.00 0.00 55.73 54.36 3irh s ARG 9 Cb -0.32 -2.95 -0.10 0.00 -0.45 0.00 0.00 34.95 31.14 3irh s ARG 9 CO 0.35 0.54 1.27 -0.51 -0.68 0.00 0.00 175.30 176.28 3irh s LEU 10 N -2.58 4.34 0.47 2.53 1.43 0.44 -4.79 118.68 120.52 3irh s LEU 10 Ca 0.38 2.60 0.21 0.00 -1.03 0.00 0.00 54.13 56.29 3irh s LEU 10 Cb -0.13 -3.77 1.21 0.00 0.03 0.00 0.00 46.19 43.53 3irh s LEU 10 CO 0.26 -0.62 1.92 1.55 0.23 0.00 0.00 176.35 179.69 3irh h PRO 11 N 3.10 0.24 -3.57 1.29 0.13 -1.98 -3.38 132.00 127.82 3irh h PRO 11 Ca -0.49 -0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.28 3irh h PRO 11 Cb 1.23 -0.05 -0.35 0.00 0.13 0.00 0.00 31.00 31.95 3irh h PRO 11 CO 0.64 0.16 -0.74 -1.50 -0.23 0.00 0.00 178.00 176.33 3irh s ILE 12 N -5.25 0.06 0.05 -3.56 1.10 -1.26 -5.12 121.20 107.22 3irh s ILE 12 Ca -0.07 0.20 -0.37 0.00 -0.51 0.00 0.00 60.65 59.90 3irh s ILE 12 Cb 0.21 -0.21 -0.16 0.00 0.15 0.00 0.00 42.46 42.45 3irh s ILE 12 CO 0.76 0.15 1.40 1.21 -2.11 0.00 0.00 174.94 176.35 3irh n GLU 13 N 4.49 1.21 -3.38 3.50 2.13 -1.26 -4.97 120.64 122.36 3irh n GLU 13 Ca -0.20 0.44 -0.37 0.00 0.66 0.00 0.00 57.16 57.68 3irh n GLU 13 Cb 0.50 -2.09 -0.06 0.00 0.27 0.00 0.00 31.44 30.06 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 0.88 4.30 -0.04 5.31 2.20 -0.71 -4.96 119.74 126.72 3irh s LYS 14 Ca 0.86 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 56.86 3irh s LYS 14 Cb -0.95 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 31.92 3irh s LYS 14 CO 0.49 0.21 -0.13 0.14 -0.36 0.00 0.00 175.35 175.69 3irh s VAL 15 N 0.48 3.17 -0.25 4.02 -7.23 -1.26 -1.15 120.40 118.17 3irh s VAL 15 Ca 0.23 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 3irh s VAL 15 Cb -0.15 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 34.58 3irh s VAL 15 CO 0.09 0.57 -0.09 -0.36 -0.31 0.00 0.00 175.10 175.00 3irh s PHE 16 N -0.77 3.14 0.18 2.82 0.40 -0.18 -4.94 117.98 118.64 3irh s PHE 16 Ca 0.12 -1.92 -0.33 0.00 -0.60 0.00 0.00 56.93 54.20 3irh s PHE 16 Cb -0.11 -2.00 -0.13 0.00 0.51 0.00 0.00 43.02 41.29 3irh s PHE 16 CO 0.01 -0.81 1.65 0.54 0.70 0.00 0.00 175.22 177.31 3irh n ARG 17 N 4.56 2.42 -3.88 0.44 1.74 -1.26 0.17 116.66 120.85 3irh n ARG 17 Ca -0.16 0.87 -0.20 0.00 -0.77 0.00 0.00 57.85 57.59 3irh n ARG 17 Cb 0.45 -2.68 -0.17 0.00 -1.02 0.00 0.00 32.46 29.04 3irh n ARG 17 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3irh s ASP 18 N 1.09 1.11 0.41 0.55 2.15 0.12 -4.86 116.67 117.23 3irh s ASP 18 Ca 0.77 -0.06 0.29 0.00 0.43 0.00 0.00 52.55 53.98 3irh s ASP 18 Cb -0.60 -0.35 1.39 0.00 -0.30 0.00 0.00 42.92 43.06 3irh s ASP 18 CO 0.36 -0.15 1.87 1.55 -0.17 0.00 0.00 175.17 178.63 3irh h PRO 19 N 7.83 0.00 0.03 4.34 0.13 -1.94 0.36 132.00 142.75 3irh h PRO 19 Ca -0.28 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.56 3irh h PRO 19 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3irh h PRO 19 CO 0.35 0.00 -1.55 0.28 -0.23 0.00 0.00 178.00 176.85 3irh n VAL 20 N -2.56 1.60 -0.06 1.56 0.31 -1.26 -4.47 118.33 113.45 3irh n VAL 20 Ca -0.00 -0.22 0.08 0.00 -0.01 0.00 0.00 64.34 64.19 3irh n VAL 20 Cb 0.15 -1.95 0.19 0.00 -0.91 0.00 0.00 33.84 31.33 3irh n VAL 20 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3irh n HIS 21 N -4.17 0.54 0.00 3.52 8.25 -1.22 -4.99 115.22 117.15 3irh n HIS 21 Ca -0.34 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 3irh n HIS 21 Cb 0.79 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.89 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 0.98 0.00 -3.93 0.41 2.85 0.11 -4.77 115.26 110.92 3irh n ASN 22 Ca 0.16 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.48 3irh n ASN 22 Cb 0.49 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.37 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 0.30 -0.23 1.20 1.51 -1.26 -0.70 117.35 118.17 3irh s TYR 23 Ca 0.00 -0.08 -0.10 0.00 -1.01 0.00 0.00 57.07 55.87 3irh s TYR 23 Cb 0.00 -0.19 -0.05 0.00 -0.11 0.00 0.00 41.96 41.61 3irh s TYR 23 CO 0.00 -0.01 0.16 0.42 -1.11 0.00 0.00 175.55 175.00 3irh s ILE 24 N -0.16 5.37 -0.16 2.71 -1.09 0.13 -4.86 121.20 123.14 3irh s ILE 24 Ca 0.00 0.20 -0.06 0.00 -2.23 0.00 0.00 60.65 58.56 3irh s ILE 24 Cb -0.02 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3irh s ILE 24 CO -0.00 0.37 0.04 -1.00 -1.23 0.00 0.00 174.94 173.12 3irh s HIS 25 N 0.83 3.22 -0.12 3.97 3.76 -1.26 -1.01 115.29 124.68 3irh s HIS 25 Ca 0.08 0.06 -0.00 0.00 -0.15 0.00 0.00 55.06 55.04 3irh s HIS 25 Cb -0.13 -2.01 0.02 0.00 1.11 0.00 0.00 32.58 31.58 3irh s HIS 25 CO 0.02 0.21 -0.09 0.08 -0.85 0.00 0.00 174.74 174.11 3irh s VAL 26 N 0.09 1.14 -0.06 -0.90 1.01 -0.30 -4.95 120.40 116.43 3irh s VAL 26 Ca 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3irh s VAL 26 Cb -0.12 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3irh s VAL 26 CO 0.01 0.39 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 3irh n GLN 27 N 4.89 0.61 -2.75 2.72 6.02 -1.26 -1.74 117.38 125.87 3irh n GLN 27 Ca -0.14 0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.48 3irh n GLN 27 Cb 0.50 -1.13 -0.06 0.00 1.02 0.00 0.00 30.24 30.58 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 -2.13 3.93 0.26 1.08 3.76 -1.26 -0.42 115.29 120.51 3irh s HIS 28 Ca -0.08 1.87 -0.03 0.00 -0.15 0.00 0.00 55.06 56.67 3irh s HIS 28 Cb 0.02 -2.99 0.34 0.00 1.11 0.00 0.00 32.58 31.05 3irh s HIS 28 CO 0.16 0.38 1.83 0.37 -0.85 0.00 0.00 174.74 176.63 3irh h GLN 29 N 4.60 0.98 -0.36 1.40 5.75 -0.97 -2.94 115.11 123.57 3irh h GLN 29 Ca -0.44 -0.17 0.07 0.00 -0.15 0.00 0.00 58.65 57.96 3irh h GLN 29 Cb 1.20 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.52 3irh h GLN 29 CO 0.69 0.81 -0.12 0.28 -2.65 0.00 0.00 178.83 177.84 3irh h VAL 30 N 0.95 0.58 -0.36 2.39 2.07 -1.83 -1.25 116.25 118.81 3irh h VAL 30 Ca 0.22 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 3irh h VAL 30 Cb 0.21 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3irh h VAL 30 CO -0.02 0.00 0.15 0.40 0.02 0.00 0.00 177.57 178.12 3irh h ILE 31 N -0.04 1.19 -0.63 4.57 1.08 -1.93 0.69 117.51 122.44 3irh h ILE 31 Ca 0.18 -0.57 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 3irh h ILE 31 Cb 0.31 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3irh h ILE 31 CO -0.39 0.20 0.39 0.25 -0.69 0.00 0.00 178.15 177.92 3irh h LEU 32 N 0.44 0.74 -0.83 1.44 5.85 -1.35 -0.10 115.31 121.50 3irh h LEU 32 Ca 0.12 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3irh h LEU 32 Cb 0.18 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3irh h LEU 32 CO -0.01 0.57 0.47 0.44 -0.34 0.00 0.00 178.44 179.57 3irh h ASP 33 N 0.85 1.03 -0.66 1.25 3.32 -0.74 -1.64 116.42 119.84 3irh h ASP 33 Ca 0.23 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3irh h ASP 33 Cb -0.05 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3irh h ASP 33 CO -0.04 0.82 0.08 -0.07 -1.72 0.00 0.00 179.24 178.31 3irh h LEU 34 N 1.15 1.07 -0.72 1.55 3.38 -0.50 -2.20 115.31 119.03 3irh h LEU 34 Ca 0.29 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3irh h LEU 34 Cb 0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3irh h LEU 34 CO -0.05 1.07 0.46 0.40 0.09 0.00 0.00 178.44 180.41 3irh h ILE 35 N 1.02 1.11 0.00 1.22 2.04 -0.67 -2.53 117.51 119.71 3irh h ILE 35 Ca 0.20 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3irh h ILE 35 Cb 0.48 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3irh h ILE 35 CO 0.02 0.16 0.00 0.59 0.00 0.00 0.00 178.15 178.92 3irh n ASN 36 N -4.64 0.00 -4.76 1.72 3.02 -0.65 -4.06 115.26 105.88 3irh n ASN 36 Ca 0.08 -0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 3irh n ASN 36 Cb 0.08 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 3irh n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3irh s SER 37 N -2.58 6.87 0.32 6.41 1.04 -0.85 -4.80 113.70 120.10 3irh s SER 37 Ca 0.27 2.59 0.09 0.00 0.48 0.00 0.00 55.95 59.38 3irh s SER 37 Cb 0.19 -2.64 0.95 0.00 0.10 0.00 0.00 66.02 64.62 3irh s SER 37 CO 0.44 -0.47 1.51 0.00 0.98 0.00 0.00 173.24 175.71 3irh n ALA 38 N 1.04 0.68 0.12 5.32 0.00 -1.26 -1.17 120.51 125.23 3irh n ALA 38 Ca 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 53.44 54.44 3irh n ALA 38 Cb 0.42 -0.84 0.19 0.00 0.00 0.00 0.00 19.45 19.22 3irh n ALA 38 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3irh h GLU 39 N 0.00 0.12 0.11 0.00 3.07 -1.92 -2.13 114.58 113.82 3irh h GLU 39 Ca 0.67 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 59.30 3irh h GLU 39 Cb 1.56 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 29.49 3irh h GLU 39 CO -0.84 0.63 -0.74 0.28 -1.40 0.00 0.00 179.01 176.94 3irh h VAL 40 N 0.09 1.50 -0.57 3.13 2.07 -1.40 -3.32 116.25 117.75 3irh h VAL 40 Ca -0.00 -2.47 0.17 0.00 0.82 0.00 0.00 66.70 65.21 3irh h VAL 40 Cb 0.99 3.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.89 3irh h VAL 40 CO 0.08 0.68 0.44 1.56 0.02 0.00 0.00 177.57 180.35 3irh h GLN 41 N -0.51 0.00 0.00 1.57 1.08 -1.11 0.43 115.11 116.57 3irh h GLN 41 Ca -0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 3irh h GLN 41 Cb 1.52 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.95 3irh h GLN 41 CO 0.10 0.00 -0.04 -0.09 -0.95 0.00 0.00 178.83 177.85 3irh h ARG 42 N 0.00 0.00 0.00 1.46 2.43 -1.48 -2.47 114.38 114.33 3irh h ARG 42 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3irh h ARG 42 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3irh h ARG 42 CO -0.00 0.04 0.00 1.28 -1.51 0.00 0.00 179.97 179.78 3irh n LEU 43 N -3.91 0.65 0.28 3.80 4.77 0.14 -2.59 117.00 120.14 3irh n LEU 43 Ca -0.03 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 3irh n LEU 43 Cb 0.13 -0.45 0.82 0.00 -2.33 0.00 0.00 43.42 41.59 3irh n LEU 43 CO 0.29 -0.32 1.10 0.03 -1.33 0.00 0.00 177.39 177.16 3irh h ARG 44 N 0.00 0.00 -0.45 3.23 3.08 -1.58 -2.38 114.38 116.28 3irh h ARG 44 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3irh h ARG 44 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3irh h ARG 44 CO 0.00 0.00 0.05 0.54 -1.07 0.00 0.00 179.97 179.50 3irh n ARG 45 N -4.09 3.50 -3.89 0.04 1.74 -1.07 -4.83 116.66 108.06 3irh n ARG 45 Ca -0.03 -3.01 -0.25 0.00 -0.77 0.00 0.00 57.85 53.79 3irh n ARG 45 Cb 0.09 -2.03 -0.17 0.00 -1.02 0.00 0.00 32.46 29.32 3irh n ARG 45 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3irh s ILE 46 N -2.90 0.74 0.17 0.55 1.01 -1.14 -2.56 121.20 117.07 3irh s ILE 46 Ca 0.48 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 3irh s ILE 46 Cb 0.39 -0.81 -0.08 0.00 0.01 0.00 0.00 42.46 41.98 3irh s ILE 46 CO 0.11 0.32 1.11 -0.54 0.00 0.00 0.00 174.94 175.94 3irh s LYS 47 N 1.73 4.58 0.20 2.79 1.02 -1.26 -0.74 119.74 128.05 3irh s LYS 47 Ca 0.03 1.73 -0.10 0.00 0.02 0.00 0.00 55.97 57.65 3irh s LYS 47 Cb -0.13 -3.28 0.13 0.00 -0.52 0.00 0.00 37.83 34.03 3irh s LYS 47 CO -0.06 0.04 1.81 0.37 -0.92 0.00 0.00 175.35 176.59 3irh h GLN 48 N 5.20 0.99 -0.01 1.68 5.75 -1.46 -3.29 115.11 123.95 3irh h GLN 48 Ca -0.44 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 57.94 3irh h GLN 48 Cb 1.21 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.57 3irh h GLN 48 CO 0.73 0.75 -0.13 1.28 -2.65 0.00 0.00 178.83 178.81 3irh n LEU 49 N -4.48 1.80 0.00 -2.39 4.77 -1.26 -4.98 117.00 110.46 3irh n LEU 49 Ca 0.06 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3irh n LEU 49 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3irh n LEU 49 CO 0.38 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3irh n GLY 50 N 0.89 1.03 0.62 -0.72 0.00 -1.24 -2.31 105.19 103.46 3irh n GLY 50 Ca 0.07 0.35 0.13 0.00 0.00 0.00 0.00 46.02 46.57 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 0.08 2.61 -2.24 -1.26 -4.21 114.28 109.26 3irh n THR 51 Ca 0.00 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 3irh n THR 51 Cb 0.00 0.78 0.33 0.00 -2.10 0.00 0.00 70.33 69.34 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 3.02 0.31 -0.51 3.42 0.02 -1.78 -2.67 113.55 115.37 3irh h SER 52 Ca 0.00 -0.07 0.15 0.00 -0.84 0.00 0.00 61.79 61.02 3irh h SER 52 Cb 0.64 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3irh h SER 52 CO 0.00 0.49 0.46 0.77 -1.14 0.00 0.00 176.83 177.41 3irh h SER 53 N 0.30 0.00 0.85 3.07 4.64 -1.73 0.34 113.55 121.02 3irh h SER 53 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3irh h SER 53 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3irh h SER 53 CO 0.03 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.73 3irh h PHE 54 N 0.00 0.00 0.00 4.77 -1.00 -1.78 -2.97 116.94 115.96 3irh h PHE 54 Ca 0.24 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.70 3irh h PHE 54 Cb 1.16 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.67 3irh h PHE 54 CO 0.00 0.00 -2.13 2.41 -1.61 0.00 0.00 178.31 176.98 3irh n THR 55 N -3.07 1.12 -3.80 -1.55 -1.04 0.86 -4.84 114.28 101.95 3irh n THR 55 Ca 0.00 -0.34 -0.35 0.00 -2.04 0.00 0.00 64.05 61.32 3irh n THR 55 Cb 0.26 -1.53 -0.12 0.00 -1.82 0.00 0.00 70.33 67.13 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 -2.38 3.50 -0.66 -1.42 0.08 0.72 -4.99 117.98 112.82 3irh s PHE 56 Ca -0.28 -2.68 0.16 0.00 0.12 0.00 0.00 56.93 54.25 3irh s PHE 56 Cb 0.09 -3.14 0.72 0.00 -0.57 0.00 0.00 43.02 40.12 3irh s PHE 56 CO 0.40 -0.90 1.48 -2.39 -0.10 0.00 0.00 175.22 173.71 3irh n HIS 57 N 3.99 0.40 0.25 0.36 1.44 -1.12 -1.38 115.22 119.16 3irh n HIS 57 Ca 0.03 0.18 0.14 0.00 -2.01 0.00 0.00 57.72 56.06 3irh n HIS 57 Cb 0.39 -0.79 0.36 0.00 0.12 0.00 0.00 29.99 30.07 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 1.30 0.00 -5.12 -1.39 0.00 -1.85 -3.40 103.07 92.62 3irh h GLY 58 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 3irh h GLY 58 CO 0.00 0.00 2.47 0.00 0.00 0.00 0.00 176.54 179.01 3irh n ALA 59 N -2.09 5.50 -0.07 3.60 0.00 -0.48 -4.37 120.51 122.59 3irh n ALA 59 Ca 0.03 -2.28 0.08 0.00 0.00 0.00 0.00 53.44 51.27 3irh n ALA 59 Cb 0.44 -2.98 0.20 0.00 0.00 0.00 0.00 19.45 17.11 3irh n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3irh n GLU 60 N 3.76 2.51 -2.18 0.00 -0.58 -1.26 -4.20 120.64 118.68 3irh n GLU 60 Ca 0.51 -2.15 -0.35 0.00 -0.42 0.00 0.00 57.16 54.75 3irh n GLU 60 Cb 0.25 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.08 2.58 0.46 -0.32 -3.43 -1.26 -4.89 115.29 107.35 3irh s HIS 61 Ca 0.31 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 56.11 3irh s HIS 61 Cb 0.17 -3.35 -0.00 0.00 -1.43 0.00 0.00 32.58 27.97 3irh s HIS 61 CO 0.23 -1.78 0.68 -1.54 -2.00 0.00 0.00 174.74 170.33 3irh s SER 62 N -1.72 5.80 0.36 7.38 1.04 -1.26 -1.44 113.70 123.87 3irh s SER 62 Ca 0.74 0.28 0.13 0.00 0.48 0.00 0.00 55.95 57.58 3irh s SER 62 Cb -0.26 -1.50 0.69 0.00 0.10 0.00 0.00 66.02 65.05 3irh s SER 62 CO 0.29 -0.73 1.80 0.03 0.98 0.00 0.00 173.24 175.61 3irh h ARG 63 N 0.37 0.00 -0.51 4.02 3.08 -0.75 -2.99 114.38 117.61 3irh h ARG 63 Ca -0.46 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.61 3irh h ARG 63 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3irh h ARG 63 CO 0.57 0.40 0.31 0.35 -1.07 0.00 0.00 179.97 180.53 3irh h PHE 64 N 0.00 0.58 -0.30 3.04 3.57 -1.69 -0.57 116.94 121.58 3irh h PHE 64 Ca -0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 3irh h PHE 64 Cb 0.73 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3irh h PHE 64 CO 0.00 0.34 -0.40 0.66 -2.23 0.00 0.00 178.31 176.68 3irh h SER 65 N 0.62 0.76 -0.29 0.41 4.64 -1.84 -2.06 113.55 115.78 3irh h SER 65 Ca 0.20 -0.34 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3irh h SER 65 Cb -0.00 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3irh h SER 65 CO -0.08 1.07 0.15 -0.74 -0.87 0.00 0.00 176.83 176.36 3irh h HIS 66 N 0.58 0.28 -0.81 4.77 -0.00 -1.36 -2.33 115.15 116.29 3irh h HIS 66 Ca 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 3irh h HIS 66 Cb 0.94 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 28.23 3irh h HIS 66 CO 0.05 0.16 0.50 0.77 -0.00 0.00 0.00 177.93 179.41 3irh h SER 67 N 0.32 0.95 -0.74 3.26 0.02 -0.85 -0.06 113.55 116.45 3irh h SER 67 Ca 0.12 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3irh h SER 67 Cb 0.03 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3irh h SER 67 CO -0.08 0.71 0.21 -0.07 -1.14 0.00 0.00 176.83 176.46 3irh h LEU 68 N 1.10 1.10 -0.42 5.07 3.38 -1.31 -2.08 115.31 122.14 3irh h LEU 68 Ca 0.29 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3irh h LEU 68 Cb -0.08 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 3irh h LEU 68 CO -0.06 1.03 0.04 1.23 0.09 0.00 0.00 178.44 180.77 3irh h GLY 69 N 1.11 0.78 0.96 0.83 0.00 -0.81 0.10 103.07 106.04 3irh h GLY 69 Ca 0.24 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.04 3irh h GLY 69 CO -0.00 0.50 0.44 -2.08 0.00 0.00 0.00 176.54 175.39 3irh h VAL 70 N 0.57 1.14 -0.59 4.60 2.07 -1.00 -1.24 116.25 121.81 3irh h VAL 70 Ca 0.13 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3irh h VAL 70 Cb 0.42 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3irh h VAL 70 CO 0.01 0.16 0.35 0.22 0.02 0.00 0.00 177.57 178.33 3irh h TYR 71 N 0.88 0.65 -0.41 1.57 3.20 -1.16 -1.86 116.97 119.84 3irh h TYR 71 Ca 0.25 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 3irh h TYR 71 Cb -0.06 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 3irh h TYR 71 CO -0.03 0.36 -0.01 1.49 -1.64 0.00 0.00 178.16 178.32 3irh h GLU 72 N 0.68 0.74 -0.22 1.82 4.57 -0.44 -0.01 114.58 121.72 3irh h GLU 72 Ca 0.25 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3irh h GLU 72 Cb 0.06 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3irh h GLU 72 CO -0.12 0.82 0.14 0.82 -1.18 0.00 0.00 179.01 179.49 3irh h ILE 73 N 0.57 1.07 -0.33 2.32 2.04 -1.21 -1.43 117.51 120.54 3irh h ILE 73 Ca 0.12 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3irh h ILE 73 Cb 0.50 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 3irh h ILE 73 CO 0.02 0.07 -0.11 0.74 0.00 0.00 0.00 178.15 178.87 3irh h THR 74 N 0.28 0.62 -0.64 -0.27 2.02 -1.13 -0.33 112.91 113.47 3irh h THR 74 Ca 0.08 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.37 3irh h THR 74 Cb -0.01 0.62 -0.08 0.00 -1.74 0.00 0.00 68.15 66.93 3irh h THR 74 CO -0.02 0.00 0.20 -0.09 0.37 0.00 0.00 175.52 175.98 3irh h ARG 75 N -0.04 0.34 -0.55 6.66 2.43 -0.82 0.20 114.38 122.60 3irh h ARG 75 Ca 0.16 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3irh h ARG 75 Cb 0.28 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3irh h ARG 75 CO -0.36 0.22 0.35 0.00 -1.51 0.00 0.00 179.97 178.68 3irh h ARG 76 N 0.35 0.69 -0.07 0.20 3.08 -0.31 -0.50 114.38 117.83 3irh h ARG 76 Ca 0.33 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 3irh h ARG 76 Cb 0.47 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3irh h ARG 76 CO -0.37 0.46 0.04 0.82 -1.07 0.00 0.00 179.97 179.85 3irh h ILE 77 N 0.72 1.08 -0.74 2.04 2.04 -0.50 -1.80 117.51 120.35 3irh h ILE 77 Ca 0.21 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3irh h ILE 77 Cb -0.05 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3irh h ILE 77 CO -0.06 0.07 0.41 0.00 0.00 0.00 0.00 178.15 178.56 3irh h GLU 79 N 0.73 0.36 -0.59 0.00 4.39 -0.97 -1.17 114.58 117.33 3irh h GLU 79 Ca 0.34 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.97 3irh h GLU 79 Cb 0.27 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3irh h GLU 79 CO -0.22 0.24 0.16 0.82 -1.16 0.00 0.00 179.01 178.85 3irh h ILE 80 N 0.37 1.25 -0.25 3.13 2.04 -0.83 -1.61 117.51 121.61 3irh h ILE 80 Ca 0.14 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3irh h ILE 80 Cb 0.04 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3irh h ILE 80 CO -0.09 0.32 0.10 -0.26 0.00 0.00 0.00 178.15 178.23 3irh h PHE 81 N 0.84 0.38 -0.29 1.37 0.05 -0.67 -1.70 116.94 116.92 3irh h PHE 81 Ca 0.19 -0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.87 3irh h PHE 81 Cb 0.32 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.14 3irh h PHE 81 CO 0.02 0.39 -0.16 0.37 -0.18 0.00 0.00 178.31 178.76 3irh h GLN 82 N 0.25 0.50 -0.01 1.51 5.75 -1.10 0.21 115.11 122.22 3irh h GLN 82 Ca 0.08 -0.16 -0.19 0.00 -0.15 0.00 0.00 58.65 58.24 3irh h GLN 82 Cb 0.17 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3irh h GLN 82 CO -0.01 0.65 -0.84 0.00 -2.65 0.00 0.00 178.83 175.99 3irh h ARG 83 N 0.46 0.21 0.00 1.69 3.08 -1.14 -3.39 114.38 115.29 3irh h ARG 83 Ca 0.08 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3irh h ARG 83 Cb 0.54 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3irh h ARG 83 CO 0.03 0.93 -0.93 0.09 -1.07 0.00 0.00 179.97 179.03 3irh n ASN 84 N -3.70 4.65 -2.73 7.04 3.02 -0.65 -4.88 115.26 118.00 3irh n ASN 84 Ca -0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.47 3irh n ASN 84 Cb 0.78 0.86 0.05 0.00 -0.61 0.00 0.00 39.78 40.86 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 -1.46 0.83 -2.08 3.10 4.02 0.72 -5.01 117.16 117.28 3irh n TYR 85 Ca 0.00 -2.43 -0.31 0.00 -0.01 0.00 0.00 57.90 55.14 3irh n TYR 85 Cb 0.07 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.27 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 -3.19 6.35 0.29 7.72 1.04 -1.13 -0.22 113.70 124.56 3irh s SER 86 Ca 0.26 1.50 0.01 0.00 0.48 0.00 0.00 55.95 58.20 3irh s SER 86 Cb 0.40 -2.49 0.54 0.00 0.10 0.00 0.00 66.02 64.58 3irh s SER 86 CO -0.01 -0.78 1.87 0.58 0.98 0.00 0.00 173.24 175.89 3irh h VAL 87 N 0.19 0.99 -1.05 5.02 2.07 -1.55 0.71 116.25 122.63 3irh h VAL 87 Ca -0.45 -0.35 0.30 0.00 0.82 0.00 0.00 66.70 67.02 3irh h VAL 87 Cb 1.19 -0.11 -0.12 0.00 -1.52 0.00 0.00 31.29 30.73 3irh h VAL 87 CO 0.61 0.18 0.64 -0.33 0.02 0.00 0.00 177.57 178.70 3irh h GLU 88 N 1.01 0.38 0.00 1.57 5.08 -1.88 0.72 114.58 121.47 3irh h GLU 88 Ca 0.44 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.45 3irh h GLU 88 Cb 0.35 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3irh h GLU 88 CO -0.20 0.25 -2.24 2.89 -1.00 0.00 0.00 179.01 178.72 3irh n ARG 89 N -4.83 0.82 -0.00 2.33 1.85 -0.75 -4.71 116.66 111.36 3irh n ARG 89 Ca 0.29 0.07 0.10 0.00 -1.00 0.00 0.00 57.85 57.31 3irh n ARG 89 Cb 0.93 -1.45 -0.12 0.00 -1.05 0.00 0.00 32.46 30.77 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 -2.93 0.77 0.00 2.89 4.77 0.17 -5.04 117.00 117.62 3irh n LEU 90 Ca -0.35 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 3irh n LEU 90 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 3irh n LEU 90 CO 0.29 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3irh n GLY 91 N 1.45 1.89 0.29 -0.72 0.00 0.23 -3.34 105.19 104.99 3irh n GLY 91 Ca 0.02 -0.41 0.19 0.00 0.00 0.00 0.00 46.02 45.82 3irh n GLY 91 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3irh h GLU 92 N 0.00 0.00 -0.17 1.61 4.11 -1.96 -1.30 114.58 116.87 3irh h GLU 92 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3irh h GLU 92 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3irh h GLU 92 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 3irh n ASN 93 N -3.09 1.66 -4.94 3.06 3.02 -1.21 -3.71 115.26 110.05 3irh n ASN 93 Ca -0.00 -1.71 -0.20 0.00 -0.03 0.00 0.00 54.58 52.63 3irh n ASN 93 Cb 0.25 -0.11 0.07 0.00 -0.61 0.00 0.00 39.78 39.38 3irh n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3irh s GLY 94 N -1.55 1.75 -0.15 7.41 0.00 -0.49 -3.53 107.32 110.75 3irh s GLY 94 Ca 0.32 -2.01 -0.06 0.00 0.00 0.00 0.00 44.72 42.96 3irh s GLY 94 CO 0.26 -1.54 0.07 0.86 0.00 0.00 0.00 173.10 172.75 3irh s TRP 95 N -2.77 3.30 -0.40 1.90 -0.11 0.69 -4.61 118.94 116.94 3irh s TRP 95 Ca 0.63 0.19 -0.16 0.00 1.22 0.00 0.00 56.10 57.97 3irh s TRP 95 Cb -0.06 -2.00 0.01 0.00 -1.50 0.00 0.00 33.47 29.92 3irh s TRP 95 CO 0.40 0.33 0.38 1.21 -4.62 0.00 0.00 176.95 174.65 3irh s ASN 96 N -0.13 6.17 0.00 5.86 2.47 -1.26 -1.71 114.94 126.34 3irh s ASN 96 Ca 0.07 -0.60 0.21 0.00 0.42 0.00 0.00 52.86 52.96 3irh s ASN 96 Cb -0.12 -2.20 1.06 0.00 -1.45 0.00 0.00 41.25 38.54 3irh s ASN 96 CO 0.01 -0.48 1.67 -0.67 -3.72 0.00 0.00 177.10 173.91 3irh n ASP 97 N 5.44 0.00 0.19 -4.21 4.64 -1.26 -1.25 116.55 120.09 3irh n ASP 97 Ca -0.09 0.01 0.13 0.00 -1.38 0.00 0.00 54.79 53.47 3irh n ASP 97 Cb 0.48 -0.30 0.66 0.00 -1.04 0.00 0.00 41.12 40.93 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 0.00 0.00 0.57 1.67 3.32 -2.04 -2.67 116.42 117.26 3irh h ASP 98 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3irh h ASP 98 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3irh h ASP 98 CO 0.00 0.00 -0.30 -0.62 -1.72 0.00 0.00 179.24 176.60 3irh n GLU 99 N -2.44 0.20 -0.03 3.56 -0.58 -0.38 -4.46 120.64 116.51 3irh n GLU 99 Ca -0.01 -0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.56 3irh n GLU 99 Cb 0.11 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.46 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 0.22 -0.20 -0.51 3.49 2.43 -1.66 -2.17 114.38 115.98 3irh h ARG 100 Ca 0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3irh h ARG 100 Cb 0.48 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3irh h ARG 100 CO 0.00 -0.14 0.18 1.25 -1.51 0.00 0.00 179.97 179.76 3irh h LEU 101 N -0.21 0.72 -0.68 3.80 5.85 -1.83 -1.04 115.31 121.92 3irh h LEU 101 Ca 0.12 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3irh h LEU 101 Cb 0.39 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3irh h LEU 101 CO -0.32 0.71 0.40 -0.29 -0.34 0.00 0.00 178.44 178.60 3irh h ILE 102 N 0.68 1.20 -0.34 4.05 2.10 -1.81 -1.29 117.51 122.11 3irh h ILE 102 Ca 0.17 -0.47 -0.01 0.00 1.08 0.00 0.00 64.86 65.63 3irh h ILE 102 Cb 0.23 0.28 -0.02 0.00 -1.09 0.00 0.00 36.82 36.23 3irh h ILE 102 CO -0.01 0.21 0.18 0.74 -1.08 0.00 0.00 178.15 178.19 3irh h THR 103 N 0.93 1.15 -0.71 2.19 2.02 -0.99 -2.01 112.91 115.48 3irh h THR 103 Ca 0.24 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3irh h THR 103 Cb -0.00 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3irh h THR 103 CO -0.04 0.15 0.21 -0.07 0.37 0.00 0.00 175.52 176.13 3irh h LEU 104 N 0.42 1.06 -0.51 2.58 3.38 -0.99 -0.95 115.31 120.29 3irh h LEU 104 Ca 0.12 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 3irh h LEU 104 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3irh h LEU 104 CO -0.02 0.99 -0.10 0.00 0.09 0.00 0.00 178.44 179.41 3irh h ALA 106 N 0.91 0.67 -0.16 0.00 0.00 -1.24 -1.77 119.26 117.67 3irh h ALA 106 Ca 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3irh h ALA 106 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3irh h ALA 106 CO 0.05 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.96 3irh h ALA 107 N 0.89 0.21 -0.07 0.00 0.00 -1.14 -0.80 119.26 118.34 3irh h ALA 107 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3irh h ALA 107 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3irh h ALA 107 CO 0.05 -0.27 -0.04 1.25 0.00 0.00 0.00 179.25 180.24 3irh h LEU 108 N 0.17 0.09 -1.10 0.00 5.85 -1.30 -3.24 115.31 115.78 3irh h LEU 108 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3irh h LEU 108 Cb 0.05 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3irh h LEU 108 CO -0.01 0.15 -0.32 0.18 -0.34 0.00 0.00 178.44 178.10 3irh n LEU 109 N -4.43 1.98 -0.19 2.25 4.77 -0.67 -4.61 117.00 116.11 3irh n LEU 109 Ca -0.02 -0.81 0.11 0.00 -0.03 0.00 0.00 56.01 55.26 3irh n LEU 109 Cb 0.16 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.67 3irh n LEU 109 CO 0.35 0.36 1.21 1.12 -1.33 0.00 0.00 177.39 179.11 3irh h HIS 110 N 2.45 0.66 -0.53 -1.77 2.07 -1.17 -1.71 115.15 115.15 3irh h HIS 110 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 3irh h HIS 110 Cb 0.68 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.45 3irh h HIS 110 CO 0.00 0.29 0.00 -0.25 -3.07 0.00 0.00 177.93 174.90 3irh n ASP 111 N -4.50 4.43 0.24 3.10 8.00 -1.26 -4.63 116.55 121.93 3irh n ASP 111 Ca 0.13 -2.53 0.09 0.00 0.71 0.00 0.00 54.79 53.19 3irh n ASP 111 Cb 0.39 -0.53 0.60 0.00 -0.02 0.00 0.00 41.12 41.56 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 3.36 0.81 0.00 2.53 3.04 -1.61 -2.53 116.25 121.85 3irh h VAL 112 Ca 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3irh h VAL 112 Cb 1.39 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 3irh h VAL 112 CO 0.22 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 177.56 3irh n GLY 113 N -0.70 -1.36 3.74 3.17 0.00 -1.26 -4.85 105.19 103.93 3irh n GLY 113 Ca -0.02 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3irh n GLY 113 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3irh s HIS 114 N -2.73 3.02 0.19 1.61 3.76 -0.96 -4.64 115.29 115.55 3irh s HIS 114 Ca 0.23 1.00 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 3irh s HIS 114 Cb 0.20 -3.82 0.02 0.00 1.11 0.00 0.00 32.58 30.09 3irh s HIS 114 CO 0.48 -2.71 0.21 0.41 -0.85 0.00 0.00 174.74 172.28 3irh n GLY 115 N 2.31 2.41 3.76 -2.22 0.00 -1.26 -5.02 105.19 105.17 3irh n GLY 115 Ca 0.07 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 3irh n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3irh s PRO 116 N -2.82 4.30 -1.25 1.61 0.04 -1.26 -3.52 135.00 132.09 3irh s PRO 116 Ca 0.16 2.29 -0.32 0.00 0.04 0.00 0.00 61.00 63.17 3irh s PRO 116 Cb -0.01 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.50 3irh s PRO 116 CO 0.10 -0.31 0.61 0.66 0.04 0.00 0.00 177.00 178.11 3irh n TYR 117 N 1.25 -1.37 0.07 0.56 4.02 -1.26 -4.58 117.16 115.85 3irh n TYR 117 Ca 0.02 0.12 0.02 0.00 -0.01 0.00 0.00 57.90 58.05 3irh n TYR 117 Cb 0.41 -2.78 0.37 0.00 -0.02 0.00 0.00 39.34 37.32 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 -2.58 0.34 -0.42 7.72 4.64 -1.94 -0.64 113.55 120.67 3irh h SER 118 Ca -0.71 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 60.53 3irh h SER 118 Cb 1.41 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 3irh h SER 118 CO 0.54 0.42 0.17 -0.74 -0.87 0.00 0.00 176.83 176.34 3irh h HIS 119 N 0.35 0.64 -0.33 4.77 -0.00 -1.92 0.12 115.15 118.79 3irh h HIS 119 Ca 0.08 -0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.26 3irh h HIS 119 Cb 0.29 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 3irh h HIS 119 CO 0.01 0.56 -0.33 1.15 -0.00 0.00 0.00 177.93 179.32 3irh h THR 120 N 0.53 1.29 -0.60 6.26 2.02 -1.79 -2.94 112.91 117.67 3irh h THR 120 Ca 0.14 -1.50 -0.05 0.00 0.77 0.00 0.00 66.41 65.77 3irh h THR 120 Cb 0.19 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3irh h THR 120 CO -0.01 0.49 0.18 0.15 0.37 0.00 0.00 175.52 176.70 3irh h PHE 121 N 0.57 0.98 -0.07 3.16 3.57 -0.94 -1.73 116.94 122.48 3irh h PHE 121 Ca 0.05 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 3irh h PHE 121 Cb 0.91 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3irh h PHE 121 CO 0.07 0.82 -0.23 0.93 -2.23 0.00 0.00 178.31 177.67 3irh h GLU 122 N 0.87 0.12 -0.27 1.11 5.08 -0.81 0.58 114.58 121.26 3irh h GLU 122 Ca 0.19 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 3irh h GLU 122 Cb 0.30 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3irh h GLU 122 CO -0.00 0.35 -0.56 1.25 -1.00 0.00 0.00 179.01 179.05 3irh h HIS 123 N 0.11 1.08 0.05 4.33 2.76 -1.22 -1.00 115.15 121.26 3irh h HIS 123 Ca 0.02 -0.40 -0.29 0.00 -2.20 0.00 0.00 60.37 57.51 3irh h HIS 123 Cb 0.47 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 3irh h HIS 123 CO 0.00 1.22 -1.53 0.82 -1.30 0.00 0.00 177.93 177.15 3irh h ILE 124 N 0.62 1.11 -0.04 6.26 1.08 -1.14 -3.39 117.51 122.02 3irh h ILE 124 Ca 0.01 -2.85 0.00 0.00 -0.39 0.00 0.00 64.86 61.63 3irh h ILE 124 Cb 1.17 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 37.56 3irh h ILE 124 CO 0.12 0.74 0.00 0.49 -0.69 0.00 0.00 178.15 178.81 3irh n PHE 125 N -3.29 0.04 -2.52 1.37 3.01 0.18 -5.01 117.46 111.24 3irh n PHE 125 Ca -0.15 -0.18 -0.17 0.00 1.01 0.00 0.00 57.45 57.97 3irh n PHE 125 Cb 1.03 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 40.48 3irh n PHE 125 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3irh n ASP 126 N 0.03 -4.74 -4.73 4.37 2.03 -0.38 -4.97 116.55 108.16 3irh n ASP 126 Ca 0.02 0.06 -0.32 0.00 0.52 0.00 0.00 54.79 55.06 3irh n ASP 126 Cb 0.15 -3.97 0.10 0.00 -0.72 0.00 0.00 41.12 36.69 3irh n ASP 126 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3irh s THR 127 N -2.82 2.67 -0.20 5.18 2.01 -1.23 -5.02 115.64 116.23 3irh s THR 127 Ca 0.04 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 3irh s THR 127 Cb -0.02 -2.67 0.07 0.00 0.01 0.00 0.00 72.50 69.89 3irh s THR 127 CO 0.05 -0.24 0.09 0.21 -0.69 0.00 0.00 174.62 174.04 3irh s ASN 128 N -2.63 2.70 0.43 3.53 3.84 -1.26 -4.65 114.94 116.90 3irh s ASN 128 Ca 0.68 -0.79 0.17 0.00 0.21 0.00 0.00 52.86 53.12 3irh s ASN 128 Cb -0.23 -0.35 0.96 0.00 -0.55 0.00 0.00 41.25 41.08 3irh s ASN 128 CO 0.50 -0.36 1.92 1.12 -2.79 0.00 0.00 177.10 177.49 3irh h HIS 129 N 8.37 0.00 -0.24 0.43 2.07 -1.96 -2.26 115.15 121.56 3irh h HIS 129 Ca -0.16 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.29 3irh h HIS 129 Cb 1.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.09 3irh h HIS 129 CO 0.21 0.26 -0.11 1.49 -3.07 0.00 0.00 177.93 176.71 3irh h GLU 130 N 0.00 0.49 -0.85 5.12 4.81 -1.94 -0.13 114.58 122.08 3irh h GLU 130 Ca -0.00 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 3irh h GLU 130 Cb 0.52 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3irh h GLU 130 CO 0.03 0.76 0.43 0.00 -0.73 0.00 0.00 179.01 179.51 3irh h ALA 131 N 0.72 1.16 -0.27 2.92 0.00 -1.89 -1.89 119.26 120.01 3irh h ALA 131 Ca 0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3irh h ALA 131 Cb 0.61 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3irh h ALA 131 CO 0.03 0.65 -0.49 0.82 0.00 0.00 0.00 179.25 180.26 3irh h ILE 132 N 1.20 1.29 -0.45 0.00 2.04 -1.34 0.52 117.51 120.77 3irh h ILE 132 Ca 0.30 -1.69 0.08 0.00 1.00 0.00 0.00 64.86 64.54 3irh h ILE 132 Cb 0.08 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 3irh h ILE 132 CO -0.04 0.54 0.04 0.74 0.00 0.00 0.00 178.15 179.44 3irh h THR 133 N 0.59 0.71 -0.21 -0.27 2.02 -0.77 0.18 112.91 115.15 3irh h THR 133 Ca 0.03 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 3irh h THR 133 Cb 1.06 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3irh h THR 133 CO 0.10 0.03 -0.17 0.58 0.37 0.00 0.00 175.52 176.43 3irh h VAL 134 N 0.16 1.22 -0.26 3.16 2.07 -1.02 -1.99 116.25 119.60 3irh h VAL 134 Ca 0.22 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 3irh h VAL 134 Cb 0.31 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3irh h VAL 134 CO -0.33 0.32 -0.14 -0.61 0.02 0.00 0.00 177.57 176.83 3irh h GLN 135 N 0.33 0.55 -0.64 1.57 4.15 -0.28 -2.46 115.11 118.34 3irh h GLN 135 Ca 0.06 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 3irh h GLN 135 Cb 0.51 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 3irh h GLN 135 CO 0.03 0.82 0.37 0.82 -1.93 0.00 0.00 178.83 178.94 3irh h ILE 136 N 0.28 1.19 -0.12 2.39 2.04 -0.44 -1.61 117.51 121.25 3irh h ILE 136 Ca 0.06 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 3irh h ILE 136 Cb 0.66 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3irh h ILE 136 CO 0.04 0.20 -0.32 0.40 0.00 0.00 0.00 178.15 178.47 3irh h ILE 137 N 0.87 1.27 -0.07 -0.67 2.04 -1.38 -3.34 117.51 116.23 3irh h ILE 137 Ca 0.23 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3irh h ILE 137 Cb 0.00 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3irh h ILE 137 CO -0.04 0.39 0.00 0.35 0.00 0.00 0.00 178.15 178.85 3irh n THR 138 N -4.10 0.21 -3.71 -0.27 -2.24 -0.93 -4.23 114.28 99.01 3irh n THR 138 Ca -0.01 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 60.80 3irh n THR 138 Cb 0.41 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.84 5.69 0.54 3.42 0.01 -0.62 -5.00 113.70 116.91 3irh s SER 139 Ca 0.13 -0.05 0.33 0.00 1.31 0.00 0.00 55.95 57.67 3irh s SER 139 Cb 0.08 -2.03 1.50 0.00 0.21 0.00 0.00 66.02 65.78 3irh s SER 139 CO 0.12 -0.00 1.87 -0.65 0.41 0.00 0.00 173.24 174.99 3irh h PRO 140 N 8.00 0.01 0.00 12.44 0.11 -1.91 -2.08 132.00 148.57 3irh h PRO 140 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3irh h PRO 140 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3irh h PRO 140 CO 0.59 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.54 3irh n GLU 141 N -4.25 0.10 -3.60 1.05 0.28 -1.26 -4.61 120.64 108.36 3irh n GLU 141 Ca 0.20 0.47 -0.36 0.00 -0.16 0.00 0.00 57.16 57.30 3irh n GLU 141 Cb 1.03 -1.76 -0.06 0.00 1.43 0.00 0.00 31.44 32.09 3irh n GLU 141 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3irh s THR 142 N -3.26 5.13 0.23 3.84 2.01 -0.78 -5.00 115.64 117.81 3irh s THR 142 Ca 0.02 0.57 -0.05 0.00 0.31 0.00 0.00 61.69 62.54 3irh s THR 142 Cb 0.07 -3.64 0.10 0.00 0.01 0.00 0.00 72.50 69.04 3irh s THR 142 CO 0.24 0.46 1.73 -0.33 -0.69 0.00 0.00 174.62 176.03 3irh h GLU 143 N 4.32 0.93 -0.14 4.92 5.08 -1.88 -2.06 114.58 125.75 3irh h GLU 143 Ca -0.51 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 57.64 3irh h GLU 143 Cb 1.21 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 3irh h GLU 143 CO 0.63 0.90 -0.28 0.28 -1.00 0.00 0.00 179.01 179.54 3irh h VAL 144 N 0.87 0.34 -0.37 3.13 2.07 -1.94 -0.12 116.25 120.23 3irh h VAL 144 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 3irh h VAL 144 Cb 0.46 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3irh h VAL 144 CO 0.02 0.00 0.19 0.22 0.02 0.00 0.00 177.57 178.02 3irh h TYR 145 N -0.35 0.36 -0.74 1.57 3.20 -1.64 -1.26 116.97 118.10 3irh h TYR 145 Ca 0.10 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.06 3irh h TYR 145 Cb 0.51 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 3irh h TYR 145 CO -0.38 0.19 0.41 1.96 -1.64 0.00 0.00 178.16 178.70 3irh h GLN 146 N 0.39 0.70 -0.44 1.82 1.08 -1.03 0.12 115.11 117.76 3irh h GLN 146 Ca 0.16 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 3irh h GLN 146 Cb 0.05 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3irh h GLN 146 CO -0.10 0.46 0.16 0.82 -0.95 0.00 0.00 178.83 179.22 3irh h ILE 147 N 0.72 1.21 -0.18 2.54 2.04 -0.59 -3.07 117.51 120.18 3irh h ILE 147 Ca 0.35 -0.67 -0.16 0.00 1.00 0.00 0.00 64.86 65.38 3irh h ILE 147 Cb 0.28 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3irh h ILE 147 CO -0.22 0.24 -0.57 -0.07 0.00 0.00 0.00 178.15 177.53 3irh h LEU 148 N 0.58 0.62 -2.17 1.44 3.38 -0.64 -2.93 115.31 115.59 3irh h LEU 148 Ca 0.15 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3irh h LEU 148 Cb 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3irh h LEU 148 CO -0.01 1.06 -0.06 -1.13 0.09 0.00 0.00 178.44 178.39 3irh h ASN 149 N 0.42 0.00 1.60 -0.43 -1.24 -0.78 -1.85 115.58 113.31 3irh h ASN 149 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3irh h ASN 149 Cb 1.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.17 3irh h ASN 149 CO 0.11 0.06 0.00 -0.09 -1.29 0.00 0.00 177.43 176.22 3irh h ARG 150 N 0.00 0.00 0.46 6.67 2.43 -1.42 -3.34 114.38 119.18 3irh h ARG 150 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3irh h ARG 150 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3irh h ARG 150 CO 0.01 0.00 -0.22 0.28 -1.51 0.00 0.00 179.97 178.53 3irh h VAL 151 N 0.00 0.00 -3.14 0.20 2.07 -1.41 -3.44 116.25 110.53 3irh h VAL 151 Ca 0.00 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.06 3irh h VAL 151 Cb 0.80 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3irh h VAL 151 CO 0.00 0.00 0.16 -0.94 0.02 0.00 0.00 177.57 176.81 3irh s SER 152 N -4.66 -0.18 0.10 0.57 1.04 -1.25 -4.55 113.70 104.77 3irh s SER 152 Ca -0.09 -0.75 -0.28 0.00 0.48 0.00 0.00 55.95 55.31 3irh s SER 152 Cb 0.01 0.72 -0.13 0.00 0.10 0.00 0.00 66.02 66.72 3irh s SER 152 CO 0.27 -1.35 1.66 0.00 0.98 0.00 0.00 173.24 174.80 3irh h ALA 153 N 2.05 -0.49 -0.26 5.32 0.00 -1.91 -3.02 119.26 120.95 3irh h ALA 153 Ca -0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3irh h ALA 153 Cb 1.25 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3irh h ALA 153 CO 0.28 -0.80 0.00 -0.40 0.00 0.00 0.00 179.25 178.33 3irh n ASP 154 N -5.35 1.96 -0.17 0.00 5.68 -1.26 -4.57 116.55 112.85 3irh n ASP 154 Ca -0.09 -1.83 -0.08 0.00 -0.50 0.00 0.00 54.79 52.30 3irh n ASP 154 Cb 0.26 -0.17 0.01 0.00 -1.14 0.00 0.00 41.12 40.08 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 2.44 0.69 -0.15 2.11 3.57 -1.80 -0.98 116.94 122.82 3irh h PHE 155 Ca 0.00 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.52 3irh h PHE 155 Cb 0.54 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 3irh h PHE 155 CO 0.17 0.53 -0.18 -1.35 -2.23 0.00 0.00 178.31 175.25 3irh h PRO 156 N 0.64 -0.21 0.00 6.41 0.11 -1.80 0.47 132.00 137.61 3irh h PRO 156 Ca 0.17 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 3irh h PRO 156 Cb 0.10 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3irh h PRO 156 CO -0.02 -0.14 -0.34 1.05 -0.21 0.00 0.00 178.00 178.34 3irh h GLU 157 N -0.22 0.00 0.22 1.05 -0.00 -1.83 -1.29 114.58 112.51 3irh h GLU 157 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.45 3irh h GLU 157 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 3irh h GLU 157 CO -0.28 0.34 -0.11 0.87 -0.00 0.00 0.00 179.01 179.83 3irh h LYS 158 N 0.00 -0.29 -0.62 1.06 1.57 -0.67 -1.76 116.57 115.86 3irh h LYS 158 Ca -0.00 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 3irh h LYS 158 Cb 0.65 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.94 3irh h LYS 158 CO 0.04 -0.03 0.18 0.28 -0.57 0.00 0.00 179.45 179.36 3irh h VAL 159 N -0.52 0.69 -0.30 0.50 2.07 -0.66 -1.61 116.25 116.41 3irh h VAL 159 Ca -0.03 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3irh h VAL 159 Cb 0.39 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3irh h VAL 159 CO 0.05 0.06 -0.02 0.00 0.02 0.00 0.00 177.57 177.68 3irh h ALA 160 N 1.46 1.40 0.00 1.67 0.00 -1.22 -2.68 119.26 119.89 3irh h ALA 160 Ca 0.32 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3irh h ALA 160 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3irh h ALA 160 CO -0.36 0.42 -0.21 0.66 0.00 0.00 0.00 179.25 179.75 3irh h SER 161 N 0.45 0.00 -0.15 0.00 4.64 -0.37 -1.11 113.55 117.01 3irh h SER 161 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3irh h SER 161 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3irh h SER 161 CO 0.01 0.21 -0.02 0.58 -0.87 0.00 0.00 176.83 176.75 3irh h VAL 162 N 0.00 1.27 -0.66 0.95 2.07 -1.12 0.41 116.25 119.17 3irh h VAL 162 Ca -0.00 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 3irh h VAL 162 Cb 0.63 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3irh h VAL 162 CO 0.03 0.27 0.23 0.40 0.02 0.00 0.00 177.57 178.52 3irh h ILE 163 N -0.00 1.24 -0.00 4.57 2.04 -1.34 -1.37 117.51 122.64 3irh h ILE 163 Ca 0.04 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3irh h ILE 163 Cb 0.42 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3irh h ILE 163 CO 0.01 0.31 -0.05 0.35 0.00 0.00 0.00 178.15 178.77 3irh n THR 164 N -4.28 0.00 -1.42 -0.27 -2.24 -0.48 -4.92 114.28 100.67 3irh n THR 164 Ca 0.05 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 3irh n THR 164 Cb 0.20 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.98 -0.61 0.00 -0.78 5.02 -0.52 -4.90 118.16 115.38 3irh n LYS 165 Ca 0.17 0.73 0.11 0.00 -2.02 0.00 0.00 58.31 57.29 3irh n LYS 165 Cb 0.24 -4.61 0.02 0.00 -0.02 0.00 0.00 35.03 30.65 3irh n LYS 165 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3irh n GLN 166 N -2.58 0.24 -1.71 1.97 6.02 0.13 -4.93 117.38 116.52 3irh n GLN 166 Ca -0.09 -0.18 -0.42 0.00 -0.01 0.00 0.00 57.00 56.29 3irh n GLN 166 Cb 0.34 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.22 2.71 0.64 1.08 9.36 -0.34 -4.87 117.16 124.52 3irh n TYR 167 Ca 0.06 0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.33 3irh n TYR 167 Cb 0.35 -2.67 0.00 0.00 -0.63 0.00 0.00 39.34 36.40 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 3.95 0.99 -3.78 2.98 -0.04 -1.26 -4.56 135.00 133.28 3irh n PRO 168 Ca 0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 3irh n PRO 168 Cb 0.34 -1.01 -0.16 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.24 3.60 0.47 3.54 3.84 -1.26 -5.02 114.94 121.35 3irh s ASN 169 Ca 0.00 -1.26 0.18 0.00 0.21 0.00 0.00 52.86 51.99 3irh s ASN 169 Cb 0.00 -0.85 1.15 0.00 -0.55 0.00 0.00 41.25 41.01 3irh s ASN 169 CO 0.00 -0.34 2.02 1.55 -2.79 0.00 0.00 177.10 177.55 3irh h PRO 170 N 8.11 0.00 -0.61 0.43 0.13 -1.89 -1.38 132.00 136.80 3irh h PRO 170 Ca -0.15 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 3irh h PRO 170 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 3irh h PRO 170 CO 0.41 0.16 0.22 1.96 -0.23 0.00 0.00 178.00 180.52 3irh h GLN 171 N 0.00 0.89 -0.00 0.86 4.20 -1.87 0.39 115.11 119.58 3irh h GLN 171 Ca -0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3irh h GLN 171 Cb 0.31 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3irh h GLN 171 CO 0.02 0.74 -0.10 0.28 -0.67 0.00 0.00 178.83 179.11 3irh h VAL 172 N 0.88 1.59 -0.47 -0.54 2.07 -1.74 -3.13 116.25 114.91 3irh h VAL 172 Ca 0.20 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 65.90 3irh h VAL 172 Cb 0.20 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 3irh h VAL 172 CO -0.02 0.49 0.25 0.58 0.02 0.00 0.00 177.57 178.90 3irh h VAL 173 N -0.66 1.00 0.00 2.57 2.07 -1.19 -2.88 116.25 117.15 3irh h VAL 173 Ca -0.01 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3irh h VAL 173 Cb 0.86 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3irh h VAL 173 CO 0.02 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.70 3irh n GLN 174 N -4.87 0.11 0.09 1.57 6.02 0.12 -1.05 117.38 119.37 3irh n GLN 174 Ca 0.03 0.17 -0.04 0.00 -0.01 0.00 0.00 57.00 57.15 3irh n GLN 174 Cb 0.10 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.68 3irh n GLN 174 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 3irh h MET 175 N 0.00 0.00 0.09 -1.09 4.05 -1.45 -3.33 114.93 113.21 3irh h MET 175 Ca 0.00 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.06 3irh h MET 175 Cb 0.51 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 3irh h MET 175 CO 0.00 0.84 -2.06 -0.89 0.23 0.00 0.00 176.91 175.02 3irh n ILE 176 N -3.42 1.72 -3.45 1.77 2.08 -1.06 -2.50 119.36 114.51 3irh n ILE 176 Ca 0.00 -0.66 -0.16 0.00 0.56 0.00 0.00 62.75 62.49 3irh n ILE 176 Cb 0.84 -1.61 -0.11 0.00 -0.75 0.00 0.00 39.64 38.00 3irh n ILE 176 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3irh s SER 177 N -6.87 1.19 0.00 4.38 0.15 -0.22 -4.41 113.70 107.92 3irh s SER 177 Ca -0.23 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.20 3irh s SER 177 Cb 0.07 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 3irh s SER 177 CO 0.75 -0.33 0.00 -1.54 1.20 0.00 0.00 173.24 173.32 3irh n SER 178 N 5.33 0.00 0.00 5.45 3.41 -1.26 -4.05 113.62 122.50 3irh n SER 178 Ca -0.04 -0.48 0.12 0.00 -0.26 0.00 0.00 58.87 58.20 3irh n SER 178 Cb 0.49 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.98 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 0.08 -2.73 4.33 1.13 -1.26 -4.18 117.38 114.75 3irh n GLN 179 Ca 0.00 0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 3irh n GLN 179 Cb 0.00 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 28.92 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 -1.45 0.39 -2.59 5.09 3.06 -1.26 -5.04 119.36 117.56 3irh n ILE 180 Ca 0.07 -2.38 -0.22 0.00 -2.50 0.00 0.00 62.75 57.72 3irh n ILE 180 Cb 0.26 0.81 0.04 0.00 0.54 0.00 0.00 39.64 41.29 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 -2.09 5.26 0.48 9.51 3.84 -1.26 -4.93 116.67 127.48 3irh s ASP 181 Ca 0.25 0.12 0.16 0.00 -0.00 0.00 0.00 52.55 53.09 3irh s ASP 181 Cb 0.41 -1.01 1.17 0.00 -1.38 0.00 0.00 42.92 42.11 3irh s ASP 181 CO -0.03 -1.17 2.05 0.00 -0.00 0.00 0.00 175.17 176.01 3irh h ALA 182 N -0.02 2.08 0.33 2.11 0.00 -1.74 -2.13 119.26 119.90 3irh h ALA 182 Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3irh h ALA 182 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3irh h ALA 182 CO 0.54 -0.17 -0.16 0.22 0.00 0.00 0.00 179.25 179.69 3irh h ASP 183 N 0.21 -0.38 -0.50 0.00 -0.00 -1.81 -0.09 116.42 113.85 3irh h ASP 183 Ca 0.17 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.03 57.15 3irh h ASP 183 Cb 0.41 0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.81 3irh h ASP 183 CO -0.03 -0.20 0.29 0.03 -0.00 0.00 0.00 179.24 179.34 3irh h ARG 184 N -0.54 0.69 -0.79 0.28 3.08 -1.83 -2.59 114.38 112.67 3irh h ARG 184 Ca -0.05 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3irh h ARG 184 Cb 0.40 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 3irh h ARG 184 CO 0.08 0.51 0.42 0.52 -1.07 0.00 0.00 179.97 180.43 3irh h MET 185 N 0.67 1.11 -0.07 0.04 2.86 -1.29 -1.38 114.93 116.87 3irh h MET 185 Ca 0.18 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3irh h MET 185 Cb 0.01 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.46 3irh h MET 185 CO -0.03 0.83 -0.34 0.22 1.06 0.00 0.00 176.91 178.65 3irh h ASP 186 N 1.11 0.42 -0.20 1.22 1.82 -0.85 -2.85 116.42 117.10 3irh h ASP 186 Ca 0.28 -0.64 -0.15 0.00 -0.39 0.00 0.00 57.03 56.13 3irh h ASP 186 Cb 0.05 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 3irh h ASP 186 CO -0.04 1.00 -0.40 0.10 -1.61 0.00 0.00 179.24 178.28 3irh h TYR 187 N -0.12 0.89 -0.35 0.28 -0.00 -1.36 0.47 116.97 116.77 3irh h TYR 187 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 58.73 58.50 3irh h TYR 187 Cb 0.99 -0.19 -0.05 0.00 0.00 0.00 0.00 36.73 37.48 3irh h TYR 187 CO 0.13 1.02 0.02 -0.07 -0.00 0.00 0.00 178.16 179.27 3irh h LEU 188 N 0.61 -0.09 -0.33 0.10 3.38 -1.34 0.34 115.31 117.98 3irh h LEU 188 Ca 0.05 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3irh h LEU 188 Cb 0.95 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3irh h LEU 188 CO 0.09 -0.01 -0.06 -0.07 0.09 0.00 0.00 178.44 178.48 3irh h LEU 189 N 0.13 0.61 -0.11 1.67 3.38 -1.20 -1.92 115.31 117.88 3irh h LEU 189 Ca 0.17 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3irh h LEU 189 Cb 0.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3irh h LEU 189 CO -0.26 0.82 -0.19 -0.09 0.09 0.00 0.00 178.44 178.81 3irh h ARG 190 N 0.40 0.32 -0.23 1.13 2.43 0.12 -1.92 114.38 116.62 3irh h ARG 190 Ca 0.09 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3irh h ARG 190 Cb 0.54 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3irh h ARG 190 CO 0.03 0.78 0.12 -0.44 -1.51 0.00 0.00 179.97 178.95 3irh h ASP 191 N -0.11 0.18 -0.98 -3.80 3.32 -0.38 -1.50 116.42 113.14 3irh h ASP 191 Ca 0.01 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.17 3irh h ASP 191 Cb 0.76 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.21 3irh h ASP 191 CO 0.04 0.13 0.61 0.00 -1.72 0.00 0.00 179.24 178.31 3irh h ALA 192 N 1.11 1.43 -0.43 3.45 0.00 -1.34 -0.76 119.26 122.73 3irh h ALA 192 Ca 0.09 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3irh h ALA 192 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3irh h ALA 192 CO -0.06 0.27 -0.13 -0.92 0.00 0.00 0.00 179.25 178.41 3irh h TYR 193 N 1.02 0.95 0.09 0.00 3.20 -0.77 -2.10 116.97 119.36 3irh h TYR 193 Ca 0.47 -0.21 -0.29 0.00 3.14 0.00 0.00 58.73 61.83 3irh h TYR 193 Cb 0.38 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3irh h TYR 193 CO -0.01 0.97 -1.50 0.74 -1.64 0.00 0.00 178.16 176.71 3irh h PHE 194 N 0.67 0.35 0.00 -3.82 -1.00 -1.16 -3.25 116.94 108.73 3irh h PHE 194 Ca 0.10 -0.26 -0.04 0.00 2.81 0.00 0.00 57.97 60.59 3irh h PHE 194 Cb 0.67 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 3irh h PHE 194 CO 0.05 1.31 -0.17 1.79 -1.61 0.00 0.00 178.31 179.68 3irh h THR 195 N 0.05 0.46 0.00 -1.55 1.35 -1.22 -3.18 112.91 108.83 3irh h THR 195 Ca -0.23 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 3irh h THR 195 Cb 1.99 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3irh h THR 195 CO 0.15 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3irh n GLY 196 N -0.03 0.44 3.79 5.82 0.00 -0.82 -4.76 105.19 109.62 3irh n GLY 196 Ca -0.00 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 4.94 -0.10 2.61 -4.23 -1.02 -4.98 115.64 110.86 3irh s THR 197 Ca 0.00 1.09 0.28 0.00 -1.18 0.00 0.00 61.69 61.88 3irh s THR 197 Cb 0.00 -3.85 0.34 0.00 1.34 0.00 0.00 72.50 70.33 3irh s THR 197 CO 0.00 0.48 1.81 -0.33 -0.54 0.00 0.00 174.62 176.04 3irh h GLU 198 N 5.30 0.00 0.21 3.99 5.08 -1.97 -3.40 114.58 123.80 3irh h GLU 198 Ca -0.47 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 3irh h GLU 198 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3irh h GLU 198 CO 0.67 0.05 -0.28 1.88 -1.00 0.00 0.00 179.01 180.33 3irh h TYR 199 N 0.00 -0.75 0.00 4.33 0.99 -1.94 -2.52 116.97 117.08 3irh h TYR 199 Ca -0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3irh h TYR 199 Cb 0.75 0.30 0.00 0.00 1.00 0.00 0.00 36.73 38.78 3irh h TYR 199 CO 0.00 -0.39 0.00 0.41 -0.00 0.00 0.00 178.16 178.18 3irh n GLY 200 N -1.40 1.12 3.37 3.88 0.00 -1.26 -4.37 105.19 106.53 3irh n GLY 200 Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 3irh n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3irh s THR 201 N -1.00 5.09 0.40 2.61 2.01 -0.95 -3.78 115.64 120.01 3irh s THR 201 Ca 0.00 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 61.00 3irh s THR 201 Cb 0.00 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 3irh s THR 201 CO 0.00 -0.80 0.19 0.72 -0.69 0.00 0.00 174.62 174.04 3irh s PHE 202 N 1.99 2.63 -0.59 4.92 -0.12 -1.26 -4.96 117.98 120.59 3irh s PHE 202 Ca 0.07 -0.55 -0.20 0.00 -0.05 0.00 0.00 56.93 56.20 3irh s PHE 202 Cb -0.25 -1.93 0.09 0.00 -0.63 0.00 0.00 43.02 40.30 3irh s PHE 202 CO 0.06 0.18 0.75 0.34 -0.05 0.00 0.00 175.22 176.50 3irh s ASP 203 N -3.91 6.19 0.21 1.98 2.15 -1.26 -4.90 116.67 117.13 3irh s ASP 203 Ca 0.41 -1.23 -0.09 0.00 0.43 0.00 0.00 52.55 52.07 3irh s ASP 203 Cb 0.02 -2.33 0.21 0.00 -0.30 0.00 0.00 42.92 40.53 3irh s ASP 203 CO 0.23 -1.14 1.83 0.25 -0.17 0.00 0.00 175.17 176.17 3irh h LEU 204 N 10.21 0.67 -0.93 -1.34 5.85 -1.98 -2.35 115.31 125.44 3irh h LEU 204 Ca -0.29 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.60 3irh h LEU 204 Cb 1.08 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.89 3irh h LEU 204 CO 1.09 0.45 0.53 0.74 -0.34 0.00 0.00 178.44 180.91 3irh h THR 205 N 0.80 0.76 -0.33 1.05 2.02 -1.99 -0.41 112.91 114.82 3irh h THR 205 Ca 0.29 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 67.08 3irh h THR 205 Cb 0.09 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3irh h THR 205 CO -0.14 0.14 -0.34 0.03 0.37 0.00 0.00 175.52 175.58 3irh h ARG 206 N 0.74 0.74 -0.30 6.66 3.08 -1.85 -2.15 114.38 121.31 3irh h ARG 206 Ca 0.50 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3irh h ARG 206 Cb 0.69 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3irh h ARG 206 CO -0.35 0.97 -0.18 0.82 -1.07 0.00 0.00 179.97 180.16 3irh h ILE 207 N 0.62 1.30 0.00 2.04 2.04 -1.22 -3.04 117.51 119.25 3irh h ILE 207 Ca 0.06 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 3irh h ILE 207 Cb 0.88 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3irh h ILE 207 CO 0.08 0.42 -0.14 -0.07 0.00 0.00 0.00 178.15 178.43 3irh h LEU 208 N 0.40 0.00 -1.41 1.44 3.38 -1.03 -0.06 115.31 118.03 3irh h LEU 208 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3irh h LEU 208 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3irh h LEU 208 CO 0.05 0.14 -0.29 -0.09 0.09 0.00 0.00 178.44 178.34 3irh h ARG 209 N 0.00 0.00 0.00 1.13 2.43 -1.27 -3.31 114.38 113.36 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 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3irh h ARG 209 CO 0.02 0.29 -0.49 1.33 -1.51 0.00 0.00 179.97 179.62 3irh n VAL 210 N -3.98 0.00 -1.75 0.20 0.24 -0.73 -5.00 118.33 107.31 3irh n VAL 210 Ca -0.02 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.34 61.59 3irh n VAL 210 Cb 0.36 0.89 0.05 0.00 -1.47 0.00 0.00 33.84 33.67 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 -1.78 2.01 -0.23 1.34 2.07 -0.11 -1.09 121.20 123.41 3irh s ILE 211 Ca 0.02 0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.01 3irh s ILE 211 Cb 0.05 -3.00 0.07 0.00 0.13 0.00 0.00 42.46 39.70 3irh s ILE 211 CO 0.28 -0.00 0.70 -0.60 -1.91 0.00 0.00 174.94 173.41 3irh s ARG 212 N -3.05 0.86 0.50 3.50 3.52 0.65 -4.88 118.95 120.05 3irh s ARG 212 Ca 0.75 0.85 -0.05 0.00 -0.13 0.00 0.00 55.73 57.16 3irh s ARG 212 Cb -0.40 0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.38 3irh s ARG 212 CO 0.46 -0.14 0.80 -1.25 -0.81 0.00 0.00 175.30 174.36 3irh s PRO 213 N 0.11 3.36 0.37 5.12 0.04 -1.26 0.40 135.00 143.13 3irh s PRO 213 Ca -0.02 0.08 -0.07 0.00 0.04 0.00 0.00 61.00 61.03 3irh s PRO 213 Cb -0.04 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.15 3irh s PRO 213 CO 0.02 -0.32 0.61 1.52 0.04 0.00 0.00 177.00 178.88 3irh s TYR 214 N -2.77 0.72 0.33 0.56 -0.85 0.30 -4.77 117.35 110.88 3irh s TYR 214 Ca 0.49 -1.13 0.10 0.00 -0.52 0.00 0.00 57.07 56.00 3irh s TYR 214 Cb -0.10 0.28 0.87 0.00 0.38 0.00 0.00 41.96 43.39 3irh s TYR 214 CO 0.44 -1.33 1.76 -0.22 -1.52 0.00 0.00 175.55 174.68 3irh h LYS 215 N 2.05 0.60 -0.64 -3.49 3.64 -1.79 -2.40 116.57 114.55 3irh h LYS 215 Ca -0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3irh h LYS 215 Cb 1.24 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3irh h LYS 215 CO 0.40 0.40 0.00 0.41 -2.27 0.00 0.00 179.45 178.39 3irh n GLY 216 N -1.36 2.71 0.00 5.01 0.00 -1.26 -4.85 105.19 105.44 3irh n GLY 216 Ca 0.25 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3irh n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3irh n GLY 217 N 1.21 0.51 3.31 -0.02 0.00 -0.90 -4.80 105.19 104.50 3irh n GLY 217 Ca 0.24 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 3irh n GLY 217 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3irh s ILE 218 N 0.00 2.48 0.33 -0.61 1.01 -1.26 -0.54 121.20 122.61 3irh s ILE 218 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3irh s ILE 218 Cb 0.00 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 3irh s ILE 218 CO 0.00 0.55 0.08 0.00 0.00 0.00 0.00 174.94 175.58 3irh s ALA 219 N 0.10 2.38 -0.07 9.38 0.00 0.16 -4.59 121.76 129.13 3irh s ALA 219 Ca -0.09 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.06 3irh s ALA 219 Cb -0.15 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.75 3irh s ALA 219 CO 0.06 -0.35 -0.05 -0.06 0.00 0.00 0.00 175.76 175.36 3irh s PHE 220 N -3.37 0.93 0.32 0.00 0.40 -0.76 -0.25 117.98 115.25 3irh s PHE 220 Ca 0.33 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 56.06 3irh s PHE 220 Cb 0.07 -0.84 -0.13 0.00 0.51 0.00 0.00 43.02 42.63 3irh s PHE 220 CO 0.15 -0.29 1.24 0.00 0.70 0.00 0.00 175.22 177.01 3irh n ALA 221 N 4.46 0.92 -0.36 5.36 0.00 -0.25 -0.88 120.51 129.77 3irh n ALA 221 Ca -0.18 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.72 3irh n ALA 221 Cb 0.51 -2.20 0.26 0.00 0.00 0.00 0.00 19.45 18.01 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 2.57 0.90 0.00 0.00 4.05 -1.13 -1.20 114.93 120.12 3irh h MET 222 Ca -0.44 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3irh h MET 222 Cb 1.30 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 3irh h MET 222 CO 0.63 0.60 0.00 0.27 0.23 0.00 0.00 176.91 178.64 3irh n ASN 223 N -4.66 0.00 -0.07 1.39 0.23 -1.26 -1.49 115.26 109.39 3irh n ASN 223 Ca 0.20 -0.24 0.09 0.00 -0.53 0.00 0.00 54.58 54.10 3irh n ASN 223 Cb 0.40 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.23 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 -0.53 4.63 0.37 4.83 0.00 -0.45 -4.80 105.19 109.24 3irh n GLY 224 Ca 0.06 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.69 -0.04 1.61 1.85 -1.36 -2.54 114.93 115.14 3irh h MET 225 Ca 0.00 -0.04 -0.12 0.00 -0.61 0.00 0.00 59.70 58.92 3irh h MET 225 Cb 0.97 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.83 3irh h MET 225 CO 0.00 0.46 -0.55 0.45 -0.40 0.00 0.00 176.91 176.87 3irh h HIS 226 N 0.71 0.16 -0.21 1.39 3.86 -1.87 0.25 115.15 119.44 3irh h HIS 226 Ca 0.49 -0.05 -0.14 0.00 -1.16 0.00 0.00 60.37 59.50 3irh h HIS 226 Cb 0.79 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 3irh h HIS 226 CO -0.00 0.64 -0.44 0.00 0.86 0.00 0.00 177.93 178.99 3irh h ALA 227 N 1.34 0.85 -0.11 2.45 0.00 -1.84 -1.90 119.26 120.05 3irh h ALA 227 Ca -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3irh h ALA 227 Cb 0.99 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3irh h ALA 227 CO 0.08 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 180.19 3irh h VAL 228 N 0.41 1.34 -0.77 0.00 2.07 -1.24 -2.73 116.25 115.33 3irh h VAL 228 Ca 0.03 -1.16 0.15 0.00 0.82 0.00 0.00 66.70 66.54 3irh h VAL 228 Cb 0.94 1.87 -0.14 0.00 -1.52 0.00 0.00 31.29 32.43 3irh h VAL 228 CO 0.08 0.33 -0.26 -0.33 0.02 0.00 0.00 177.57 177.42 3irh h GLU 229 N -0.13 -0.04 0.00 1.57 5.08 -0.46 -0.95 114.58 119.65 3irh h GLU 229 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3irh h GLU 229 Cb 0.56 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3irh h GLU 229 CO 0.02 -0.03 -0.16 0.22 -1.00 0.00 0.00 179.01 178.06 3irh h ASP 230 N -0.04 0.00 -0.20 1.42 3.58 -1.27 -1.44 116.42 118.46 3irh h ASP 230 Ca 0.34 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 3irh h ASP 230 Cb 0.58 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 3irh h ASP 230 CO -0.81 0.16 0.06 0.22 -2.88 0.00 0.00 179.24 175.99 3irh h TYR 231 N 0.00 0.33 -0.84 0.28 3.20 -0.86 -0.84 116.97 118.24 3irh h TYR 231 Ca -0.00 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.87 3irh h TYR 231 Cb 0.50 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 3irh h TYR 231 CO 0.00 0.42 0.54 0.82 -1.64 0.00 0.00 178.16 178.30 3irh h ILE 232 N 0.15 1.12 0.08 1.81 1.08 -1.02 0.15 117.51 120.88 3irh h ILE 232 Ca 0.06 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3irh h ILE 232 Cb 0.25 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 3irh h ILE 232 CO -0.00 0.19 -0.04 0.58 -0.69 0.00 0.00 178.15 178.19 3irh h VAL 233 N 1.04 0.93 -0.47 1.67 2.07 -1.12 -0.17 116.25 120.20 3irh h VAL 233 Ca 0.34 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.89 3irh h VAL 233 Cb 0.03 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3irh h VAL 233 CO -0.12 0.01 0.17 0.28 0.02 0.00 0.00 177.57 177.93 3irh h SER 234 N -0.12 0.19 0.29 0.57 0.02 -0.91 -0.11 113.55 113.48 3irh h SER 234 Ca -0.01 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3irh h SER 234 Cb 0.10 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3irh h SER 234 CO 0.02 0.14 -0.30 -0.09 -1.14 0.00 0.00 176.83 175.46 3irh h ARG 235 N 0.35 -0.60 -0.28 3.45 2.43 -0.68 0.26 114.38 119.32 3irh h ARG 235 Ca 0.22 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 3irh h ARG 235 Cb 0.21 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 3irh h ARG 235 CO -0.22 -0.40 -0.24 -0.92 -1.51 0.00 0.00 179.97 176.69 3irh h TYR 236 N -0.62 -0.63 -0.89 2.20 3.20 -0.95 -1.90 116.97 117.38 3irh h TYR 236 Ca -0.01 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.96 3irh h TYR 236 Cb 0.57 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.10 3irh h TYR 236 CO -0.19 -0.31 0.56 1.96 -1.64 0.00 0.00 178.16 178.54 3irh h GLN 237 N -0.23 0.99 -0.32 1.82 4.20 -0.67 -2.15 115.11 118.75 3irh h GLN 237 Ca 0.15 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 3irh h GLN 237 Cb 0.46 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3irh h GLN 237 CO -0.41 0.65 -0.37 0.52 -0.67 0.00 0.00 178.83 178.56 3irh h MET 238 N 1.02 0.73 0.75 1.46 2.86 -0.76 -1.97 114.93 119.02 3irh h MET 238 Ca 0.39 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3irh h MET 238 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3irh h MET 238 CO -0.17 0.98 -0.49 1.88 1.06 0.00 0.00 176.91 180.17 3irh h TYR 239 N 0.61 -1.32 0.00 -0.22 -1.99 -1.10 -1.00 116.97 111.96 3irh h TYR 239 Ca 0.06 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 3irh h TYR 239 Cb 0.91 0.48 -0.01 0.00 2.00 0.00 0.00 36.73 40.10 3irh h TYR 239 CO 0.05 -0.72 -0.32 -0.39 -0.00 0.00 0.00 178.16 176.78 3irh h VAL 240 N -1.18 0.73 0.00 -2.88 -1.51 -1.44 -1.26 116.25 108.72 3irh h VAL 240 Ca -0.10 -1.40 -0.02 0.00 -1.23 0.00 0.00 66.70 63.95 3irh h VAL 240 Cb 0.95 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 32.00 3irh h VAL 240 CO 0.08 0.31 -1.74 0.00 -1.23 0.00 0.00 177.57 174.99 3irh n GLN 241 N -3.45 0.58 0.03 5.19 6.02 -0.74 -4.61 117.38 120.39 3irh n GLN 241 Ca 0.00 -0.13 -0.00 0.00 -0.01 0.00 0.00 57.00 56.86 3irh n GLN 241 Cb 0.49 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 -2.09 0.82 0.06 5.09 0.31 -0.48 -4.60 118.33 117.43 3irh n VAL 242 Ca -0.05 0.27 -0.02 0.00 -0.01 0.00 0.00 64.34 64.53 3irh n VAL 242 Cb 0.46 -1.43 0.26 0.00 -0.91 0.00 0.00 33.84 32.22 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 -0.04 0.41 -0.50 3.52 0.99 -1.20 -2.53 116.97 117.61 3irh h TYR 243 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3irh h TYR 243 Cb 0.04 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 37.67 3irh h TYR 243 CO -0.02 0.59 0.00 1.19 -0.00 0.00 0.00 178.16 179.92 3irh n PHE 244 N -4.14 0.67 -1.69 4.88 3.72 -0.48 -4.92 117.46 115.49 3irh n PHE 244 Ca -0.01 -0.33 -0.44 0.00 -0.05 0.00 0.00 57.45 56.62 3irh n PHE 244 Cb 0.38 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.88 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 1.05 2.51 0.23 1.38 -0.00 -0.96 -4.89 115.22 114.54 3irh n HIS 245 Ca 0.18 -0.01 0.07 0.00 0.46 0.00 0.00 57.72 58.41 3irh n HIS 245 Cb 0.45 -2.67 0.53 0.00 -0.12 0.00 0.00 29.99 28.18 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 7.85 0.00 -0.14 1.57 0.11 -1.93 -2.13 132.00 137.34 3irh h PRO 246 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 3irh h PRO 246 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3irh h PRO 246 CO 0.93 0.21 -0.46 0.28 -0.21 0.00 0.00 178.00 178.75 3irh h VAL 247 N 0.00 1.35 -0.76 3.15 2.07 -1.92 0.18 116.25 120.32 3irh h VAL 247 Ca -0.00 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.77 3irh h VAL 247 Cb 0.40 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3irh h VAL 247 CO 0.03 0.53 0.49 0.28 0.02 0.00 0.00 177.57 178.92 3irh h SER 248 N 0.18 0.88 -0.52 0.57 0.02 -1.80 -2.68 113.55 110.20 3irh h SER 248 Ca -0.02 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 3irh h SER 248 Cb 1.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3irh h SER 248 CO 0.10 0.65 0.01 0.03 -1.14 0.00 0.00 176.83 176.48 3irh h ARG 249 N 1.03 0.95 -0.85 3.45 3.08 -1.28 -1.20 114.38 119.55 3irh h ARG 249 Ca 0.28 -0.28 0.15 0.00 0.07 0.00 0.00 59.98 60.20 3irh h ARG 249 Cb -0.10 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 29.76 3irh h ARG 249 CO -0.06 0.93 0.44 0.78 -1.07 0.00 0.00 179.97 181.00 3irh h GLY 250 N 1.00 1.39 1.41 0.04 0.00 -0.44 -0.34 103.07 106.14 3irh h GLY 250 Ca 0.16 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3irh h GLY 250 CO 0.02 -0.04 -0.35 -0.33 0.00 0.00 0.00 176.54 175.85 3irh h MET 251 N 0.63 0.65 -0.91 4.80 2.86 -1.13 -3.02 114.93 118.81 3irh h MET 251 Ca 0.47 -0.31 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3irh h MET 251 Cb 0.66 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 3irh h MET 251 CO -0.36 0.91 0.59 0.93 1.06 0.00 0.00 176.91 180.03 3irh h GLU 252 N 0.55 1.13 -0.52 1.72 5.08 -0.29 -2.27 114.58 119.98 3irh h GLU 252 Ca 0.06 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3irh h GLU 252 Cb 0.86 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3irh h GLU 252 CO 0.07 0.75 -0.09 0.28 -1.00 0.00 0.00 179.01 179.02 3irh h VAL 253 N 1.16 1.27 -0.36 3.13 2.07 -1.05 -1.80 116.25 120.67 3irh h VAL 253 Ca 0.35 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3irh h VAL 253 Cb -0.03 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3irh h VAL 253 CO -0.11 0.43 0.24 0.40 0.02 0.00 0.00 177.57 178.55 3irh h ILE 254 N 0.84 1.09 -0.29 4.57 2.04 -1.40 -2.37 117.51 121.99 3irh h ILE 254 Ca 0.13 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3irh h ILE 254 Cb 0.65 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3irh h ILE 254 CO 0.04 0.09 0.13 0.25 0.00 0.00 0.00 178.15 178.66 3irh h LEU 255 N 0.49 0.39 -0.59 1.44 5.85 -1.28 0.05 115.31 121.66 3irh h LEU 255 Ca 0.13 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.81 3irh h LEU 255 Cb -0.05 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 3irh h LEU 255 CO -0.03 0.43 0.15 -0.78 -0.34 0.00 0.00 178.44 177.87 3irh h ASP 256 N 0.32 0.06 1.03 1.25 3.58 -1.30 -2.16 116.42 119.20 3irh h ASP 256 Ca 0.10 0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.51 3irh h ASP 256 Cb 0.15 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 3irh h ASP 256 CO -0.01 0.04 -0.64 0.45 -2.88 0.00 0.00 179.24 176.21 3irh h HIS 257 N 0.29 0.00 -0.20 0.28 3.86 -1.01 -1.75 115.15 116.62 3irh h HIS 257 Ca 0.30 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.45 3irh h HIS 257 Cb 0.43 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 3irh h HIS 257 CO -0.22 0.64 -0.12 1.25 0.86 0.00 0.00 177.93 180.33 3irh h LEU 258 N 0.00 0.45 -0.67 2.43 5.85 -0.63 -0.43 115.31 122.31 3irh h LEU 258 Ca -0.01 -0.43 -0.11 0.00 0.84 0.00 0.00 57.88 58.17 3irh h LEU 258 Cb 1.32 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3irh h LEU 258 CO 0.08 0.78 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.70 3irh h LEU 259 N 0.12 0.85 0.11 2.25 3.38 -1.41 -2.26 115.31 118.34 3irh h LEU 259 Ca 0.04 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3irh h LEU 259 Cb 0.62 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3irh h LEU 259 CO 0.03 1.02 -0.05 -0.74 0.09 0.00 0.00 178.44 178.79 3irh h HIS 260 N 0.73 -0.14 -0.99 1.13 2.76 -1.21 -1.19 115.15 116.25 3irh h HIS 260 Ca 0.11 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 3irh h HIS 260 Cb 0.71 0.05 -0.08 0.00 1.55 0.00 0.00 27.41 29.64 3irh h HIS 260 CO 0.04 -0.04 0.63 -0.09 -1.30 0.00 0.00 177.93 177.17 3irh h ARG 261 N -0.21 1.03 -0.52 5.26 9.65 -1.03 -0.82 114.38 127.74 3irh h ARG 261 Ca -0.02 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 3irh h ARG 261 Cb 0.17 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 3irh h ARG 261 CO 0.03 0.68 0.03 0.00 2.80 0.00 0.00 179.97 183.50 3irh h ALA 262 N 1.49 0.70 -0.24 2.80 0.00 -1.13 0.08 119.26 122.96 3irh h ALA 262 Ca 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3irh h ALA 262 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3irh h ALA 262 CO -0.22 0.49 0.12 -0.22 0.00 0.00 0.00 179.25 179.41 3irh h LYS 263 N 0.77 0.34 -0.61 0.00 3.64 -0.80 -1.52 116.57 118.39 3irh h LYS 263 Ca 0.15 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3irh h LYS 263 Cb 0.48 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3irh h LYS 263 CO 0.02 0.34 0.39 0.93 -2.27 0.00 0.00 179.45 178.86 3irh h GLU 264 N 0.26 0.74 -0.51 1.90 5.08 -0.99 -0.87 114.58 120.19 3irh h GLU 264 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3irh h GLU 264 Cb 0.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3irh h GLU 264 CO -0.01 0.49 0.24 -0.07 -1.00 0.00 0.00 179.01 178.66 3irh h LEU 265 N 0.77 0.68 -0.99 1.33 3.38 -0.86 -2.59 115.31 117.03 3irh h LEU 265 Ca 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3irh h LEU 265 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3irh h LEU 265 CO -0.09 0.63 0.22 0.15 0.09 0.00 0.00 178.44 179.45 3irh h PHE 266 N 0.69 0.97 -0.36 1.13 3.57 -0.89 -3.15 116.94 118.88 3irh h PHE 266 Ca 0.18 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 3irh h PHE 266 Cb 0.14 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3irh h PHE 266 CO -0.00 0.76 -0.23 0.93 -2.23 0.00 0.00 178.31 177.54 3irh h GLU 267 N 0.93 0.79 -6.29 1.11 4.39 -1.00 -3.43 114.58 111.07 3irh h GLU 267 Ca 0.21 -0.37 -0.57 0.00 0.34 0.00 0.00 59.36 58.98 3irh h GLU 267 Cb 0.23 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 3irh h GLU 267 CO -0.01 0.99 1.12 1.21 -1.16 0.00 0.00 179.01 181.16 3irh s ASN 268 N -6.55 6.37 0.55 1.42 3.84 -0.99 -4.91 114.94 114.68 3irh s ASN 268 Ca -0.12 1.55 0.36 0.00 0.21 0.00 0.00 52.86 54.86 3irh s ASN 268 Cb 0.10 -2.53 1.68 0.00 -0.55 0.00 0.00 41.25 39.94 3irh s ASN 268 CO 0.84 -1.28 2.07 1.55 -2.79 0.00 0.00 177.10 177.49 3irh h PRO 269 N 10.75 0.00 0.00 0.43 0.13 -1.85 -2.82 132.00 138.64 3irh h PRO 269 Ca -0.33 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.69 3irh h PRO 269 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3irh h PRO 269 CO 1.01 0.00 -0.51 1.49 -0.23 0.00 0.00 178.00 179.76 3irh h GLU 270 N 0.00 0.00 -6.63 0.86 4.57 -1.92 -3.41 114.58 108.05 3irh h GLU 270 Ca 0.00 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.62 3irh h GLU 270 Cb 0.31 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 3irh h GLU 270 CO 0.00 0.51 0.94 0.12 -1.18 0.00 0.00 179.01 179.41 3irh s PHE 271 N -3.44 2.71 0.04 0.92 2.19 -1.07 -4.91 117.98 114.42 3irh s PHE 271 Ca 0.00 0.55 -0.18 0.00 0.33 0.00 0.00 56.93 57.63 3irh s PHE 271 Cb 0.11 -4.47 -0.18 0.00 -1.31 0.00 0.00 43.02 37.16 3irh s PHE 271 CO 0.73 -1.43 1.22 -0.44 1.83 0.00 0.00 175.22 177.12 3irh h ASP 272 N 9.39 0.58 -4.05 6.13 3.32 -1.87 -3.48 116.42 126.44 3irh h ASP 272 Ca -0.24 -0.65 -0.54 0.00 0.02 0.00 0.00 57.03 55.62 3irh h ASP 272 Cb 1.06 -0.17 0.13 0.00 0.22 0.00 0.00 39.33 40.56 3irh h ASP 272 CO 1.16 1.14 0.57 -0.31 -1.72 0.00 0.00 179.24 180.07 3irh s TYR 273 N -3.65 2.34 -0.19 4.55 2.02 -1.26 -4.96 117.35 116.20 3irh s TYR 273 Ca -0.13 1.42 -0.24 0.00 -0.37 0.00 0.00 57.07 57.75 3irh s TYR 273 Cb 0.05 -3.71 -0.02 0.00 -0.40 0.00 0.00 41.96 37.89 3irh s TYR 273 CO 0.82 -2.67 0.78 0.34 -1.57 0.00 0.00 175.55 173.25 3irh s ASP 274 N -1.11 6.86 0.00 2.29 2.15 -1.26 -4.93 116.67 120.67 3irh s ASP 274 Ca 0.72 1.06 0.22 0.00 0.43 0.00 0.00 52.55 54.98 3irh s ASP 274 Cb -0.38 -2.42 1.10 0.00 -0.30 0.00 0.00 42.92 40.92 3irh s ASP 274 CO 0.44 -0.39 1.69 0.18 -0.17 0.00 0.00 175.17 176.92 3irh n LEU 275 N 5.35 0.00 -4.05 -1.34 4.77 -1.26 -4.91 117.00 115.55 3irh n LEU 275 Ca 0.03 0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.96 3irh n LEU 275 Cb 0.49 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3irh n LEU 275 CO 0.47 -0.08 -0.32 0.00 -1.33 0.00 0.00 177.39 176.13 3irh n GLN 276 N -1.27 -0.73 -3.24 3.23 10.64 -1.26 -4.83 117.38 119.92 3irh n GLN 276 Ca 0.11 0.04 -0.24 0.00 -1.83 0.00 0.00 57.00 55.07 3irh n GLN 276 Cb 0.16 -2.67 -0.07 0.00 -0.86 0.00 0.00 30.24 26.80 3irh n GLN 276 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3irh n ALA 277 N -4.21 2.91 0.15 2.61 0.00 -1.26 -4.96 120.51 115.75 3irh n ALA 277 Ca -0.22 -3.81 0.01 0.00 0.00 0.00 0.00 53.44 49.42 3irh n ALA 277 Cb 0.56 -0.84 0.32 0.00 0.00 0.00 0.00 19.45 19.49 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 3.90 0.10 0.95 0.00 4.64 -2.01 -1.89 113.55 119.24 3irh h SER 278 Ca 0.11 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3irh h SER 278 Cb 0.82 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3irh h SER 278 CO 0.58 0.45 0.00 0.18 -0.87 0.00 0.00 176.83 177.17 3irh n LEU 279 N -4.10 0.44 -0.00 5.97 4.77 -1.26 -2.86 117.00 119.96 3irh n LEU 279 Ca -0.02 0.57 0.10 0.00 -0.03 0.00 0.00 56.01 56.64 3irh n LEU 279 Cb 0.41 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 3irh n LEU 279 CO 0.40 -0.28 -0.10 0.18 -1.33 0.00 0.00 177.39 176.25 3irh n LEU 280 N -1.95 0.89 -0.09 2.23 4.77 -0.72 -4.56 117.00 117.57 3irh n LEU 280 Ca 0.04 -0.43 -0.06 0.00 -0.03 0.00 0.00 56.01 55.53 3irh n LEU 280 Cb 0.30 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3irh n LEU 280 CO 0.23 0.22 0.90 0.58 -1.33 0.00 0.00 177.39 177.99 3irh h VAL 281 N 0.00 0.85 0.00 4.08 2.07 -1.37 0.15 116.25 122.03 3irh h VAL 281 Ca 0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3irh h VAL 281 Cb 0.55 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3irh h VAL 281 CO 0.00 0.03 -0.02 1.55 0.02 0.00 0.00 177.57 179.15 3irh h PRO 282 N 0.19 0.00 0.18 1.57 0.13 -1.80 -0.63 132.00 131.64 3irh h PRO 282 Ca 0.15 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.98 3irh h PRO 282 Cb 0.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.31 3irh h PRO 282 CO -0.20 0.02 -1.47 0.74 -0.23 0.00 0.00 178.00 176.86 3irh h PHE 283 N 0.00 0.68 -0.49 1.56 0.04 -1.53 -1.14 116.94 116.06 3irh h PHE 283 Ca -0.00 -0.50 0.10 0.00 2.80 0.00 0.00 57.97 60.37 3irh h PHE 283 Cb 0.06 -0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.09 3irh h PHE 283 CO 0.00 1.57 -0.09 0.74 -0.60 0.00 0.00 178.31 179.93 3irh h PHE 284 N -0.07 -0.20 0.00 -0.55 0.05 -0.34 -1.58 116.94 114.25 3irh h PHE 284 Ca -0.29 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.54 3irh h PHE 284 Cb 1.96 0.17 0.00 0.00 2.00 0.00 0.00 35.95 40.07 3irh h PHE 284 CO 0.13 -0.19 0.00 1.63 -0.18 0.00 0.00 178.31 179.70 3irh n LYS 285 N -5.32 0.08 0.00 1.51 5.02 -0.28 -4.91 118.16 114.26 3irh n LYS 285 Ca 0.05 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3irh n LYS 285 Cb 0.26 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.19 2.62 3.13 0.72 0.00 -0.59 -4.99 105.19 106.27 3irh n GLY 286 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.35 4.81 0.04 1.61 -1.08 -0.46 -4.94 116.67 113.30 3irh s ASP 287 Ca 0.00 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 3irh s ASP 287 Cb 0.00 -1.68 -0.03 0.00 -1.46 0.00 0.00 42.92 39.75 3irh s ASP 287 CO 0.00 -0.28 -0.04 0.72 0.52 0.00 0.00 175.17 176.09 3irh s PHE 288 N 1.18 0.47 0.43 -5.34 -0.12 -1.24 -4.55 117.98 108.81 3irh s PHE 288 Ca -0.04 -0.69 0.07 0.00 -0.05 0.00 0.00 56.93 56.23 3irh s PHE 288 Cb -0.20 -0.31 0.01 0.00 -0.63 0.00 0.00 43.02 41.89 3irh s PHE 288 CO -0.03 -0.21 0.59 0.95 -0.05 0.00 0.00 175.22 176.47 3irh s THR 289 N -2.23 3.01 0.18 -4.49 -4.23 -1.26 -5.02 115.64 101.59 3irh s THR 289 Ca -0.07 -0.97 -0.11 0.00 -1.18 0.00 0.00 61.69 59.37 3irh s THR 289 Cb -0.04 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.87 3irh s THR 289 CO -0.03 -0.01 1.71 0.25 -0.54 0.00 0.00 174.62 176.01 3irh h LEU 290 N 0.59 0.90 -0.59 4.79 5.85 -2.02 -2.60 115.31 122.23 3irh h LEU 290 Ca -0.40 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 3irh h LEU 290 Cb 1.28 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3irh h LEU 290 CO 0.46 0.86 0.35 1.56 -0.34 0.00 0.00 178.44 181.33 3irh h GLN 291 N 0.89 0.81 -0.74 1.25 1.08 -1.98 -0.10 115.11 116.33 3irh h GLN 291 Ca 0.20 -0.08 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 3irh h GLN 291 Cb 0.27 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.48 3irh h GLN 291 CO -0.01 0.60 0.42 0.93 -0.95 0.00 0.00 178.83 179.82 3irh h GLU 292 N 0.80 0.74 -0.68 1.46 5.08 -1.94 -1.71 114.58 118.34 3irh h GLU 292 Ca 0.21 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3irh h GLU 292 Cb 0.01 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3irh h GLU 292 CO -0.04 0.49 0.32 -0.92 -1.00 0.00 0.00 179.01 177.86 3irh h TYR 293 N 0.77 0.98 0.00 4.33 3.20 -1.01 -2.95 116.97 122.29 3irh h TYR 293 Ca 0.33 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3irh h TYR 293 Cb 0.21 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3irh h TYR 293 CO -0.07 0.74 0.00 -0.07 -1.64 0.00 0.00 178.16 177.12 3irh h LEU 294 N 0.94 0.00 -0.42 2.82 3.38 -0.15 -2.05 115.31 119.83 3irh h LEU 294 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3irh h LEU 294 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3irh h LEU 294 CO -0.03 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.61 3irh h LYS 295 N 0.00 0.00 -6.35 1.13 1.57 -1.23 -3.46 116.57 108.22 3irh h LYS 295 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3irh h LYS 295 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3irh h LYS 295 CO 0.00 0.00 0.06 -0.51 -0.57 0.00 0.00 179.45 178.43 3irh s LEU 296 N -4.73 4.55 0.35 2.94 1.43 -0.77 -4.99 118.68 117.47 3irh s LEU 296 Ca 0.07 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.47 3irh s LEU 296 Cb 0.10 -3.07 0.03 0.00 0.03 0.00 0.00 46.19 43.29 3irh s LEU 296 CO 0.51 0.24 0.66 1.51 0.23 0.00 0.00 176.35 179.50 3irh s ASP 297 N -1.09 0.27 0.16 2.29 3.84 -1.26 -4.61 116.67 116.26 3irh s ASP 297 Ca 0.32 -1.20 -0.18 0.00 -0.00 0.00 0.00 52.55 51.50 3irh s ASP 297 Cb -0.21 0.77 0.07 0.00 -1.38 0.00 0.00 42.92 42.16 3irh s ASP 297 CO 0.22 -1.50 1.68 0.44 -0.00 0.00 0.00 175.17 176.01 3irh h ASP 298 N 2.05 -0.28 -0.52 2.11 3.32 -1.88 -1.75 116.42 119.46 3irh h ASP 298 Ca -0.29 0.10 0.13 0.00 0.02 0.00 0.00 57.03 56.99 3irh h ASP 298 Cb 1.25 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.97 3irh h ASP 298 CO 0.38 -0.10 0.37 1.23 -1.72 0.00 0.00 179.24 179.40 3irh h GLY 299 N 0.02 0.18 0.88 2.75 0.00 -1.98 -1.32 103.07 103.60 3irh h GLY 299 Ca 0.17 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 3irh h GLY 299 CO -0.34 0.02 -0.09 -2.08 0.00 0.00 0.00 176.54 174.05 3irh h VAL 300 N 0.12 1.29 0.27 4.60 2.07 -1.70 -1.81 116.25 121.08 3irh h VAL 300 Ca 0.25 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3irh h VAL 300 Cb 0.83 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3irh h VAL 300 CO -0.03 0.36 -0.13 -0.07 0.02 0.00 0.00 177.57 177.72 3irh h LEU 301 N 0.32 -0.31 -1.70 2.57 3.38 -1.12 -2.24 115.31 116.21 3irh h LEU 301 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3irh h LEU 301 Cb 0.59 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3irh h LEU 301 CO 0.03 -0.11 0.12 0.77 0.09 0.00 0.00 178.44 179.35 3irh h SER 302 N -0.50 0.28 -0.54 -0.43 4.64 -1.40 0.26 113.55 115.87 3irh h SER 302 Ca -0.04 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3irh h SER 302 Cb 0.37 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3irh h SER 302 CO 0.06 0.24 0.21 0.74 -0.87 0.00 0.00 176.83 177.21 3irh h THR 303 N 0.33 1.22 -0.52 2.95 2.02 -1.13 -2.04 112.91 115.73 3irh h THR 303 Ca 0.09 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 3irh h THR 303 Cb 0.02 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3irh h THR 303 CO -0.01 0.27 -0.02 1.88 0.37 0.00 0.00 175.52 178.00 3irh h TYR 304 N 0.74 0.97 -0.75 3.16 0.99 -0.66 -3.00 116.97 118.43 3irh h TYR 304 Ca 0.18 -0.16 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 3irh h TYR 304 Cb 0.21 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 37.65 3irh h TYR 304 CO 0.01 0.89 0.31 0.74 -0.00 0.00 0.00 178.16 180.11 3irh h PHE 305 N 0.83 1.12 -0.42 4.88 0.05 -0.63 0.55 116.94 123.32 3irh h PHE 305 Ca 0.15 -0.07 0.04 0.00 3.82 0.00 0.00 57.97 61.91 3irh h PHE 305 Cb 0.52 -0.34 -0.04 0.00 2.00 0.00 0.00 35.95 38.09 3irh h PHE 305 CO 0.03 0.85 0.19 1.15 -0.18 0.00 0.00 178.31 180.34 3irh h THR 306 N 1.09 0.93 -0.31 -1.55 2.02 -1.33 -1.83 112.91 111.93 3irh h THR 306 Ca 0.25 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3irh h THR 306 Cb 0.19 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3irh h THR 306 CO -0.02 0.07 0.18 1.56 0.37 0.00 0.00 175.52 177.68 3irh h GLN 307 N 0.38 0.42 0.00 6.66 4.20 -1.31 -3.03 115.11 122.43 3irh h GLN 307 Ca 0.19 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3irh h GLN 307 Cb 0.13 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3irh h GLN 307 CO -0.16 0.33 -0.01 -1.49 -0.67 0.00 0.00 178.83 176.84 3irh h TRP 308 N 0.39 0.00 -0.15 2.96 6.55 -0.35 -1.73 115.95 123.61 3irh h TRP 308 Ca 0.11 0.00 0.04 0.00 0.95 0.00 0.00 58.89 59.99 3irh h TRP 308 Cb 0.02 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 3irh h TRP 308 CO -0.04 0.01 0.15 0.52 -1.05 0.00 0.00 178.44 178.03 3irh h MET 309 N 0.00 0.00 -0.25 0.49 2.86 -1.22 -2.16 114.93 114.65 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 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3irh h MET 309 CO 0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 3irh n ASP 310 N -3.99 2.65 -4.70 1.22 8.00 -0.65 -4.75 116.55 114.34 3irh n ASP 310 Ca 0.01 -1.85 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 3irh n ASP 310 Cb 0.27 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3irh n ASP 310 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3irh s VAL 311 N -0.98 4.01 -0.25 2.53 1.01 -0.81 -4.90 120.40 121.00 3irh s VAL 311 Ca 0.21 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 3irh s VAL 311 Cb 0.11 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3irh s VAL 311 CO 0.16 0.04 1.36 -0.81 0.00 0.00 0.00 175.10 175.84 3irh n PRO 312 N 4.81 0.70 -3.79 2.72 -0.04 -1.26 -4.45 135.00 133.69 3irh n PRO 312 Ca 0.11 -0.68 -0.26 0.00 -0.04 0.00 0.00 63.50 62.62 3irh n PRO 312 Cb 0.45 -2.01 -0.17 0.00 -0.04 0.00 0.00 33.50 31.73 3irh n PRO 312 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3irh s ASP 313 N 3.94 2.39 0.24 3.54 2.15 -1.26 -5.06 116.67 122.61 3irh s ASP 313 Ca 0.15 -0.50 -0.06 0.00 0.43 0.00 0.00 52.55 52.57 3irh s ASP 313 Cb 0.05 -0.62 0.32 0.00 -0.30 0.00 0.00 42.92 42.36 3irh s ASP 313 CO -0.01 -0.23 1.87 0.77 -0.17 0.00 0.00 175.17 177.40 3irh h SER 314 N 8.24 0.91 0.28 -0.34 4.64 -1.99 0.03 113.55 125.33 3irh h SER 314 Ca -0.20 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3irh h SER 314 Cb 1.12 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3irh h SER 314 CO 0.33 0.60 -0.13 0.40 -0.87 0.00 0.00 176.83 177.16 3irh h ILE 315 N 1.06 0.75 -0.41 0.95 2.04 -1.97 -1.01 117.51 118.92 3irh h ILE 315 Ca 0.37 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3irh h ILE 315 Cb 0.10 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3irh h ILE 315 CO -0.15 0.11 0.24 0.25 0.00 0.00 0.00 178.15 178.60 3irh h LEU 316 N -0.69 0.38 -0.71 1.44 5.85 -1.87 0.15 115.31 119.86 3irh h LEU 316 Ca -0.04 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3irh h LEU 316 Cb 0.48 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3irh h LEU 316 CO 0.06 0.27 0.32 1.23 -0.34 0.00 0.00 178.44 179.98 3irh h GLY 317 N 0.48 1.11 0.88 3.75 0.00 -1.05 -1.70 103.07 106.55 3irh h GLY 317 Ca 0.17 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 3irh h GLY 317 CO -0.09 0.54 0.00 -1.80 0.00 0.00 0.00 176.54 175.20 3irh h ASP 318 N 1.00 0.51 -0.12 0.19 3.58 -0.79 -2.16 116.42 118.63 3irh h ASP 318 Ca 0.24 -0.31 -0.10 0.00 0.42 0.00 0.00 57.03 57.28 3irh h ASP 318 Cb 0.16 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3irh h ASP 318 CO -0.03 0.69 -0.25 -0.07 -2.88 0.00 0.00 179.24 176.70 3irh h LEU 319 N 0.31 0.57 -0.45 2.28 3.38 -0.91 -0.52 115.31 119.96 3irh h LEU 319 Ca 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3irh h LEU 319 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3irh h LEU 319 CO 0.01 0.81 0.20 0.00 0.09 0.00 0.00 178.44 179.56 3irh h ALA 320 N 1.24 0.59 -0.07 1.53 0.00 -1.31 -1.90 119.26 119.33 3irh h ALA 320 Ca 0.07 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3irh h ALA 320 Cb 0.70 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3irh h ALA 320 CO 0.05 0.17 -0.25 -0.22 0.00 0.00 0.00 179.25 179.00 3irh h LYS 321 N 0.59 -0.33 -0.85 0.00 3.64 -1.12 -1.18 116.57 117.32 3irh h LYS 321 Ca 0.15 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 3irh h LYS 321 Cb 0.15 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 3irh h LYS 321 CO -0.02 -0.22 0.55 0.00 -2.27 0.00 0.00 179.45 177.49 3irh h ARG 322 N -0.35 0.89 -0.09 1.90 3.08 -0.96 0.15 114.38 119.00 3irh h ARG 322 Ca 0.08 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3irh h ARG 322 Cb 0.46 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3irh h ARG 322 CO -0.27 0.59 -0.18 0.35 -1.07 0.00 0.00 179.97 179.39 3irh h PHE 323 N 0.92 0.35 -0.00 3.04 3.57 -1.18 0.23 116.94 123.86 3irh h PHE 323 Ca 0.37 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 61.61 3irh h PHE 323 Cb 0.26 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3irh h PHE 323 CO -0.00 0.79 -0.60 -0.07 -2.23 0.00 0.00 178.31 176.20 3irh h LEU 324 N -0.18 0.01 -1.16 0.59 3.38 -0.92 -3.13 115.31 113.90 3irh h LEU 324 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3irh h LEU 324 Cb 0.77 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3irh h LEU 324 CO 0.04 0.61 -0.32 0.23 0.09 0.00 0.00 178.44 179.09 3irh n MET 325 N -3.83 1.45 -2.63 1.13 2.81 0.49 -5.02 117.12 111.53 3irh n MET 325 Ca -0.01 -1.16 -0.03 0.00 -1.81 0.00 0.00 57.70 54.68 3irh n MET 325 Cb 0.60 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.24 -1.48 -3.56 0.03 0.63 -0.64 -5.01 116.66 106.87 3irh n ARG 326 Ca 0.11 1.55 -0.27 0.00 -0.92 0.00 0.00 57.85 58.32 3irh n ARG 326 Cb 0.48 -4.81 -0.09 0.00 0.45 0.00 0.00 32.46 28.48 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 -0.93 1.86 -2.15 -0.14 4.76 0.71 -5.03 118.16 117.25 3irh n LYS 327 Ca 0.05 -4.31 -0.35 0.00 -2.87 0.00 0.00 58.31 50.83 3irh n LYS 327 Cb 0.43 -2.09 0.01 0.00 -1.84 0.00 0.00 35.03 31.54 3irh n LYS 327 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3irh s PRO 328 N -1.74 3.20 0.52 1.97 0.04 -1.26 -4.83 135.00 132.90 3irh s PRO 328 Ca 0.33 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.81 3irh s PRO 328 Cb 0.07 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 3irh s PRO 328 CO -0.10 -0.98 1.14 -0.51 0.04 0.00 0.00 177.00 176.60 3irh s LEU 329 N -3.98 3.82 0.78 -3.56 1.43 -1.24 -4.59 118.68 111.34 3irh s LEU 329 Ca 0.73 2.22 -0.08 0.00 -1.03 0.00 0.00 54.13 55.97 3irh s LEU 329 Cb -0.25 -4.49 0.12 0.00 0.03 0.00 0.00 46.19 41.59 3irh s LEU 329 CO 0.30 -1.15 1.10 -0.54 0.23 0.00 0.00 176.35 176.28 3irh s LYS 330 N -3.13 1.64 0.14 1.70 -0.14 0.94 -4.56 119.74 116.32 3irh s LYS 330 Ca 0.70 -0.50 -0.17 0.00 -1.36 0.00 0.00 55.97 54.65 3irh s LYS 330 Cb -0.25 -2.11 0.04 0.00 -1.68 0.00 0.00 37.83 33.82 3irh s LYS 330 CO 0.29 -1.62 0.43 -1.54 -0.76 0.00 0.00 175.35 172.15 3irh s SER 331 N -4.67 -0.26 0.02 2.83 1.04 -1.26 -1.46 113.70 109.94 3irh s SER 331 Ca 0.65 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.78 3irh s SER 331 Cb -0.08 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 3irh s SER 331 CO 0.47 -0.88 -0.04 0.00 0.98 0.00 0.00 173.24 173.77 3irh s ALA 332 N -3.81 0.25 0.48 5.32 0.00 -0.43 -4.92 121.76 118.65 3irh s ALA 332 Ca 0.04 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 3irh s ALA 332 Cb 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 3irh s ALA 332 CO -0.11 -0.05 0.93 0.95 0.00 0.00 0.00 175.76 177.48 3irh s THR 333 N -0.95 4.58 0.15 0.00 -4.23 -0.81 -0.39 115.64 113.98 3irh s THR 333 Ca -0.09 1.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.46 3irh s THR 333 Cb -0.07 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 3irh s THR 333 CO -0.00 -0.62 0.25 0.72 -0.54 0.00 0.00 174.62 174.43 3irh s PHE 334 N -2.53 0.42 -0.03 3.99 -0.12 -0.97 -0.16 117.98 118.59 3irh s PHE 334 Ca 0.57 -0.79 -0.00 0.00 -0.05 0.00 0.00 56.93 56.66 3irh s PHE 334 Cb -0.10 -0.10 -0.00 0.00 -0.63 0.00 0.00 43.02 42.19 3irh s PHE 334 CO 0.30 -0.68 0.05 1.79 -0.05 0.00 0.00 175.22 176.62 3irh h THR 335 N 2.59 0.00 -3.93 -4.49 1.35 -1.95 -3.37 112.91 103.12 3irh h THR 335 Ca -0.32 -0.26 -0.29 0.00 -0.55 0.00 0.00 66.41 64.99 3irh h THR 335 Cb 1.22 0.00 -0.25 0.00 -1.73 0.00 0.00 68.15 67.40 3irh h THR 335 CO 0.50 0.00 -0.74 0.54 -0.25 0.00 0.00 175.52 175.57 3irh s ASN 336 N -3.64 0.68 0.42 5.36 2.20 -1.26 -4.82 114.94 113.89 3irh s ASN 336 Ca -0.00 -0.32 0.14 0.00 -0.94 0.00 0.00 52.86 51.74 3irh s ASN 336 Cb 0.00 -0.01 1.02 0.00 -2.00 0.00 0.00 41.25 40.26 3irh s ASN 336 CO 0.01 -0.08 1.92 -0.33 -2.94 0.00 0.00 177.10 175.68 3irh h GLU 337 N 5.25 0.44 0.65 3.55 5.08 -1.95 -1.95 114.58 125.65 3irh h GLU 337 Ca -0.32 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3irh h GLU 337 Cb 1.20 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.36 3irh h GLU 337 CO 0.45 0.29 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.22 3irh h LYS 338 N 0.45 -0.84 -0.47 2.33 1.63 -2.00 -2.62 116.57 115.05 3irh h LYS 338 Ca 0.36 0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 60.13 3irh h LYS 338 Cb 0.78 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 3irh h LYS 338 CO -0.12 -0.52 -0.08 1.49 -3.45 0.00 0.00 179.45 176.76 3irh h GLU 339 N -1.10 0.84 -0.07 1.90 4.81 -1.96 -3.11 114.58 115.89 3irh h GLU 339 Ca -0.09 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3irh h GLU 339 Cb 0.71 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3irh h GLU 339 CO 0.15 0.89 0.00 0.43 -0.73 0.00 0.00 179.01 179.75 3irh n SER 340 N -4.17 0.58 -0.01 1.04 7.64 -0.75 -4.57 113.62 113.38 3irh n SER 340 Ca 0.02 -1.60 -0.11 0.00 1.01 0.00 0.00 58.87 58.19 3irh n SER 340 Cb 0.36 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 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 3.65 0.16 -0.16 -0.43 0.00 -1.39 -2.84 119.26 118.25 3irh h ALA 341 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3irh h ALA 341 Cb 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3irh h ALA 341 CO 0.00 -0.33 -0.62 0.00 0.00 0.00 0.00 179.25 178.30 3irh h ALA 342 N 1.01 0.63 -0.41 0.00 0.00 -1.85 -2.65 119.26 115.98 3irh h ALA 342 Ca 0.04 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.43 3irh h ALA 342 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3irh h ALA 342 CO -0.01 0.71 0.22 1.15 0.00 0.00 0.00 179.25 181.32 3irh h THR 343 N 0.41 1.01 -0.49 0.00 2.02 -1.79 -1.29 112.91 112.77 3irh h THR 343 Ca -0.01 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.04 3irh h THR 343 Cb 1.18 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3irh h THR 343 CO 0.12 0.08 0.28 0.40 0.37 0.00 0.00 175.52 176.77 3irh h ILE 344 N 0.45 1.03 -0.28 3.11 1.08 -1.42 -0.24 117.51 121.24 3irh h ILE 344 Ca 0.17 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 3irh h ILE 344 Cb 0.05 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.18 3irh h ILE 344 CO -0.10 0.10 0.07 0.00 -0.69 0.00 0.00 178.15 177.53 3irh h ALA 345 N 1.23 0.30 -0.62 1.87 0.00 -1.13 -0.71 119.26 120.20 3irh h ALA 345 Ca 0.20 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3irh h ALA 345 Cb 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3irh h ALA 345 CO -0.10 -0.34 0.16 -0.92 0.00 0.00 0.00 179.25 178.05 3irh h TYR 346 N 0.18 1.02 -0.65 0.00 5.03 -0.96 -2.04 116.97 119.55 3irh h TYR 346 Ca 0.13 -0.12 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 3irh h TYR 346 Cb 0.12 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.08 3irh h TYR 346 CO -0.15 0.85 0.23 -0.07 -1.32 0.00 0.00 178.16 177.70 3irh h LEU 347 N 0.89 0.92 -0.97 2.82 3.38 -0.73 -2.11 115.31 119.52 3irh h LEU 347 Ca 0.19 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3irh h LEU 347 Cb 0.34 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3irh h LEU 347 CO -0.00 0.86 0.64 0.03 0.09 0.00 0.00 178.44 180.06 3irh h ARG 348 N 0.92 1.23 -0.84 1.13 3.08 -0.98 -0.07 114.38 118.85 3irh h ARG 348 Ca 0.21 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.26 3irh h ARG 348 Cb 0.25 -0.28 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 3irh h ARG 348 CO -0.01 0.82 0.50 0.93 -1.07 0.00 0.00 179.97 181.14 3irh h GLU 349 N 1.27 0.86 -0.02 0.04 5.08 -0.92 0.39 114.58 121.28 3irh h GLU 349 Ca 0.37 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.46 3irh h GLU 349 Cb -0.08 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.00 3irh h GLU 349 CO -0.10 0.57 -0.86 -0.07 -1.00 0.00 0.00 179.01 177.55 3irh h LEU 350 N 0.89 0.79 -0.98 1.33 3.38 -0.72 0.39 115.31 120.38 3irh h LEU 350 Ca 0.38 -0.73 0.05 0.00 0.09 0.00 0.00 57.88 57.67 3irh h LEU 350 Cb 0.26 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 3irh h LEU 350 CO -0.21 1.41 0.64 0.40 0.09 0.00 0.00 178.44 180.78 3irh h ILE 351 N 0.25 1.14 -0.34 1.22 2.04 -0.90 -1.74 117.51 119.17 3irh h ILE 351 Ca -0.10 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 3irh h ILE 351 Cb 1.52 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3irh h ILE 351 CO 0.17 0.22 -0.07 -0.08 0.00 0.00 0.00 178.15 178.39 3irh h GLU 352 N 1.21 0.66 -0.65 2.37 4.81 -0.84 -1.34 114.58 120.79 3irh h GLU 352 Ca 0.40 -0.24 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 3irh h GLU 352 Cb 0.06 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3irh h GLU 352 CO -0.14 0.81 0.43 -0.22 -0.73 0.00 0.00 179.01 179.17 3irh h LYS 353 N 0.45 0.54 -0.00 1.92 3.64 -0.17 0.27 116.57 123.23 3irh h LYS 353 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3irh h LYS 353 Cb 0.56 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3irh h LYS 353 CO 0.03 0.36 -0.12 0.28 -2.27 0.00 0.00 179.45 177.73 3irh n VAL 354 N -4.48 0.00 0.00 2.00 0.31 -0.73 -4.94 118.33 110.50 3irh n VAL 354 Ca 0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3irh n VAL 354 Cb 0.31 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 3irh n VAL 354 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3irh n GLY 355 N 1.45 1.99 3.37 2.92 0.00 0.96 -5.10 105.19 110.78 3irh n GLY 355 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 2.95 -0.13 1.61 0.40 -0.52 -5.01 117.98 115.29 3irh s PHE 356 Ca 0.00 -0.73 -0.29 0.00 -0.60 0.00 0.00 56.93 55.31 3irh s PHE 356 Cb 0.00 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.44 3irh s PHE 356 CO 0.00 -0.37 1.93 1.21 0.70 0.00 0.00 175.22 178.68 3irh s ASN 357 N 1.05 6.12 0.45 1.36 3.84 -1.26 -3.18 114.94 123.33 3irh s ASN 357 Ca 0.01 2.09 0.13 0.00 0.21 0.00 0.00 52.86 55.30 3irh s ASN 357 Cb -0.15 -2.52 1.06 0.00 -0.55 0.00 0.00 41.25 39.09 3irh s ASN 357 CO -0.00 -1.40 2.04 -0.65 -2.79 0.00 0.00 177.10 174.30 3irh h PRO 358 N 12.00 0.32 -0.59 0.43 0.11 -1.91 -1.84 132.00 140.53 3irh h PRO 358 Ca -0.42 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.71 3irh h PRO 358 Cb 1.21 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3irh h PRO 358 CO 0.97 0.21 0.39 -0.22 -0.21 0.00 0.00 178.00 179.14 3irh h LYS 359 N 0.33 0.64 0.00 1.05 3.64 -1.89 -1.86 116.57 118.48 3irh h LYS 359 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3irh h LYS 359 Cb 0.32 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3irh h LYS 359 CO -0.04 0.42 -1.13 0.66 -2.27 0.00 0.00 179.45 177.09 3irh n TYR 360 N -4.47 0.00 0.64 1.91 4.02 -0.94 -4.63 117.16 113.70 3irh n TYR 360 Ca 0.07 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.03 3irh n TYR 360 Cb 0.16 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 3irh n TYR 360 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3irh n TYR 361 N -1.65 0.00 -4.58 -0.72 4.02 -0.74 -4.93 117.16 108.56 3irh n TYR 361 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 3irh n TYR 361 Cb 0.24 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.89 1.21 0.00 -0.72 -4.23 -0.70 -3.76 115.64 105.54 3irh s THR 362 Ca 0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3irh s THR 362 Cb 0.11 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3irh s THR 362 CO 0.41 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.49 3irh n ALA 363 N -0.95 0.00 -2.44 3.99 0.00 -1.19 -4.79 120.51 115.12 3irh n ALA 363 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 3irh n ALA 363 Cb 0.66 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 3irh n ALA 363 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3irh s ILE 364 N -2.00 2.83 -0.07 0.00 1.01 -1.26 -0.36 121.20 121.35 3irh s ILE 364 Ca 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3irh s ILE 364 Cb 0.00 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.41 3irh s ILE 364 CO 0.00 0.59 0.17 0.21 0.00 0.00 0.00 174.94 175.91 3irh s ASN 365 N -0.70 -0.17 0.10 3.58 3.04 -0.21 -4.98 114.94 115.59 3irh s ASN 365 Ca 0.11 0.35 0.07 0.00 0.04 0.00 0.00 52.86 53.43 3irh s ASN 365 Cb -0.10 0.32 -0.04 0.00 -1.54 0.00 0.00 41.25 39.88 3irh s ASN 365 CO 0.00 -0.09 -0.13 -0.55 -3.04 0.00 0.00 177.10 173.30 3irh s SER 366 N 0.42 4.23 0.49 -4.21 0.15 -1.26 -0.59 113.70 112.92 3irh s SER 366 Ca -0.03 -0.43 0.28 0.00 0.70 0.00 0.00 55.95 56.48 3irh s SER 366 Cb -0.04 -0.75 0.90 0.00 -1.71 0.00 0.00 66.02 64.42 3irh s SER 366 CO -0.02 0.19 1.81 0.77 1.20 0.00 0.00 173.24 177.19 3irh h SER 367 N 3.74 0.00 -0.06 5.45 4.64 -1.93 -3.05 113.55 122.34 3irh h SER 367 Ca -0.49 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 3irh h SER 367 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3irh h SER 367 CO 0.50 0.04 -0.12 0.22 -0.87 0.00 0.00 176.83 176.59 3irh h TYR 368 N 0.00 0.39 0.00 4.77 3.20 -1.92 -2.59 116.97 120.82 3irh h TYR 368 Ca -0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3irh h TYR 368 Cb 0.75 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3irh h TYR 368 CO 0.00 0.49 0.00 -0.25 -1.64 0.00 0.00 178.16 176.76 3irh n ASP 369 N -4.24 0.50 -4.84 -2.11 8.00 -1.15 -4.77 116.55 107.95 3irh n ASP 369 Ca 0.00 0.67 -0.33 0.00 0.71 0.00 0.00 54.79 55.85 3irh n ASP 369 Cb 0.29 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 3irh n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3irh s LEU 370 N -4.22 4.00 -0.21 0.64 1.43 -0.98 -4.94 118.68 114.41 3irh s LEU 370 Ca 0.02 1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 54.54 3irh s LEU 370 Cb 0.07 -4.30 -0.14 0.00 0.03 0.00 0.00 46.19 41.86 3irh s LEU 370 CO 0.27 -0.28 2.30 -0.81 0.23 0.00 0.00 176.35 178.06 3irh n PRO 371 N -0.52 1.40 -3.72 1.29 -0.04 -1.26 -4.68 135.00 127.48 3irh n PRO 371 Ca 0.05 -0.79 -0.26 0.00 -0.04 0.00 0.00 63.50 62.46 3irh n PRO 371 Cb 0.54 -1.95 -0.17 0.00 -0.04 0.00 0.00 33.50 31.88 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 2.16 0.79 -0.13 0.54 1.51 -1.26 -5.13 117.35 115.83 3irh s TYR 372 Ca 0.40 -0.60 -0.07 0.00 -1.01 0.00 0.00 57.07 55.78 3irh s TYR 372 Cb 0.17 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 3irh s TYR 372 CO -0.01 -0.53 0.14 0.16 -1.11 0.00 0.00 175.55 174.20 3irh s ASP 373 N 1.94 6.38 0.35 2.29 3.84 -1.26 -4.95 116.67 125.26 3irh s ASP 373 Ca 0.01 0.45 -0.18 0.00 -0.00 0.00 0.00 52.55 52.83 3irh s ASP 373 Cb -0.16 -2.07 -0.10 0.00 -1.38 0.00 0.00 42.92 39.21 3irh s ASP 373 CO -0.07 0.39 0.83 -0.36 -0.00 0.00 0.00 175.17 175.95 3irh s PHE 374 N -0.90 3.39 -0.12 2.11 0.08 -1.26 -5.02 117.98 116.26 3irh s PHE 374 Ca 0.14 1.41 -0.29 0.00 0.12 0.00 0.00 56.93 58.31 3irh s PHE 374 Cb -0.12 -2.68 -0.05 0.00 -0.57 0.00 0.00 43.02 39.61 3irh s PHE 374 CO 0.04 0.04 1.70 -0.47 -0.10 0.00 0.00 175.22 176.43 3irh s TYR 375 N -2.00 1.91 -0.39 0.36 5.04 -1.26 -4.91 117.35 116.09 3irh s TYR 375 Ca 0.56 0.31 0.09 0.00 -2.44 0.00 0.00 57.07 55.59 3irh s TYR 375 Cb -0.11 -3.97 0.29 0.00 0.35 0.00 0.00 41.96 38.53 3irh s TYR 375 CO 0.16 -3.64 0.66 -2.13 -1.34 0.00 0.00 175.55 169.26 3irh n ARG 376 N 7.49 0.83 -1.82 4.97 0.63 -1.26 -4.71 116.66 122.79 3irh n ARG 376 Ca 0.19 -3.09 -0.42 0.00 -0.92 0.00 0.00 57.85 53.61 3irh n ARG 376 Cb 0.44 -1.41 -0.03 0.00 0.45 0.00 0.00 32.46 31.91 3irh n ARG 376 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3irh s PRO 377 N -1.41 4.17 -0.17 -0.14 0.04 -1.26 -4.98 135.00 131.25 3irh s PRO 377 Ca 0.36 2.49 -0.03 0.00 0.04 0.00 0.00 61.00 63.85 3irh s PRO 377 Cb 0.25 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 3irh s PRO 377 CO -0.11 -0.72 -0.05 1.21 0.04 0.00 0.00 177.00 177.38 3irh s ASN 378 N 1.62 4.60 0.51 6.66 3.84 -1.26 -5.01 114.94 125.90 3irh s ASN 378 Ca 0.74 -0.22 0.26 0.00 0.21 0.00 0.00 52.86 53.86 3irh s ASN 378 Cb -0.46 -1.76 1.38 0.00 -0.55 0.00 0.00 41.25 39.86 3irh s ASN 378 CO 0.33 0.12 2.05 0.11 -2.79 0.00 0.00 177.10 176.91 3irh h LYS 379 N 7.07 0.00 0.00 0.43 1.57 -1.98 -1.36 116.57 122.29 3irh h LYS 379 Ca -0.33 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.23 3irh h LYS 379 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3irh h LYS 379 CO 0.61 0.13 -1.18 -0.44 -0.57 0.00 0.00 179.45 178.00 3irh h ASP 380 N 0.00 0.00 -3.72 0.86 5.19 -2.03 -3.43 116.42 113.29 3irh h ASP 380 Ca -0.00 0.00 -0.76 0.00 -0.62 0.00 0.00 57.03 55.65 3irh h ASP 380 Cb 0.36 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.58 3irh h ASP 380 CO 0.02 0.92 0.10 -0.13 -3.12 0.00 0.00 179.24 177.03 3irh s ARG 381 N -2.72 3.58 0.20 3.56 0.52 -0.51 -4.93 118.95 118.65 3irh s ARG 381 Ca -0.01 -2.86 0.00 0.00 -0.52 0.00 0.00 55.73 52.35 3irh s ARG 381 Cb 0.09 -4.28 0.47 0.00 0.52 0.00 0.00 34.95 31.75 3irh s ARG 381 CO 0.81 -1.25 1.03 1.58 0.02 0.00 0.00 175.30 177.49 3irh n HIS 382 N 3.21 0.39 -0.25 -0.53 -0.00 -1.26 -0.69 115.22 116.09 3irh n HIS 382 Ca 0.17 0.79 0.16 0.00 -0.00 0.00 0.00 57.72 58.85 3irh n HIS 382 Cb 0.41 -0.97 0.45 0.00 -0.00 0.00 0.00 29.99 29.89 3irh n HIS 382 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3irh h ARG 383 N 0.00 0.51 -0.00 1.57 2.47 -1.91 -2.10 114.38 114.91 3irh h ARG 383 Ca 0.38 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 3irh h ARG 383 Cb 0.76 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3irh h ARG 383 CO -0.63 0.34 0.00 0.25 0.56 0.00 0.00 179.97 180.49 3irh n THR 384 N -4.54 0.00 -4.98 2.04 -2.24 0.14 -4.37 114.28 100.32 3irh n THR 384 Ca 0.18 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.61 3irh n THR 384 Cb 0.60 -0.38 -0.14 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.00 2.37 -0.37 -0.78 -0.21 -0.79 -4.01 119.66 113.86 3irh s GLN 385 Ca 0.46 -0.78 -0.16 0.00 0.02 0.00 0.00 55.36 54.90 3irh s GLN 385 Cb 0.22 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.95 3irh s GLN 385 CO 0.36 0.60 0.38 0.42 -2.12 0.00 0.00 175.29 174.94 3irh s ILE 386 N -0.72 5.14 -0.08 1.08 1.01 -1.26 -4.78 121.20 121.59 3irh s ILE 386 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 3irh s ILE 386 Cb -0.10 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 3irh s ILE 386 CO 0.00 -0.22 0.29 -1.61 0.00 0.00 0.00 174.94 173.41 3irh s GLU 387 N 2.04 3.85 -0.16 2.79 0.41 -1.26 -1.04 118.70 125.33 3irh s GLU 387 Ca 0.11 0.15 -0.03 0.00 -0.41 0.00 0.00 54.97 54.80 3irh s GLU 387 Cb -0.17 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 28.90 3irh s GLU 387 CO 0.12 0.60 -0.07 -0.51 -0.49 0.00 0.00 175.26 174.91 3irh s LEU 388 N -0.64 3.01 -0.17 1.80 1.43 0.18 -1.83 118.68 122.46 3irh s LEU 388 Ca 0.19 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 3irh s LEU 388 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3irh s LEU 388 CO 0.08 0.13 0.61 -0.32 0.23 0.00 0.00 176.35 177.07 3irh s MET 389 N 0.60 4.26 0.67 1.70 1.75 -0.06 -1.51 119.30 126.73 3irh s MET 389 Ca -0.04 0.61 -0.09 0.00 -1.25 0.00 0.00 55.69 54.92 3irh s MET 389 Cb -0.15 -3.54 0.03 0.00 2.84 0.00 0.00 34.83 34.01 3irh s MET 389 CO 0.03 -0.13 1.02 -0.65 -0.65 0.00 0.00 175.02 174.63 3irh s GLN 390 N 1.55 2.66 0.28 4.11 -0.21 -0.22 -0.53 119.66 127.31 3irh s GLN 390 Ca 0.29 0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.81 3irh s GLN 390 Cb -0.16 -2.14 0.68 0.00 1.00 0.00 0.00 33.01 32.39 3irh s GLN 390 CO 0.11 -1.01 1.72 0.87 -2.12 0.00 0.00 175.29 174.87 3irh h LYS 391 N -0.51 0.47 0.00 2.91 1.57 -1.98 -0.74 116.57 118.29 3irh h LYS 391 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3irh h LYS 391 Cb 1.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3irh h LYS 391 CO 0.62 0.31 0.00 -0.40 -0.57 0.00 0.00 179.45 179.41 3irh n ASP 392 N -4.98 0.00 0.00 0.86 5.75 -1.26 -4.87 116.55 112.05 3irh n ASP 392 Ca 0.21 -0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 3irh n ASP 392 Cb 0.59 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.64 2.78 3.73 6.12 0.00 -0.28 -5.07 105.19 113.11 3irh n GLY 393 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3irh n GLY 393 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3irh s SER 394 N -1.24 4.15 0.11 1.61 1.04 -1.26 -4.64 113.70 113.47 3irh s SER 394 Ca 0.00 2.13 0.05 0.00 0.48 0.00 0.00 55.95 58.61 3irh s SER 394 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 3irh s SER 394 CO 0.00 -2.28 0.01 -0.76 0.98 0.00 0.00 173.24 171.18 3irh s LEU 395 N -5.61 3.45 -0.07 2.42 1.43 -1.26 -1.06 118.68 117.98 3irh s LEU 395 Ca 0.68 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 3irh s LEU 395 Cb -0.23 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 43.87 3irh s LEU 395 CO 0.50 0.15 0.16 0.54 0.23 0.00 0.00 176.35 177.93 3irh s VAL 396 N -1.43 -0.04 0.27 -1.59 0.11 -0.57 -4.97 120.40 112.19 3irh s VAL 396 Ca 0.26 0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 59.16 3irh s VAL 396 Cb -0.11 -0.26 -0.09 0.00 -1.53 0.00 0.00 36.38 34.39 3irh s VAL 396 CO 0.19 0.06 1.16 -0.70 -3.33 0.00 0.00 175.10 172.48 3irh s GLU 397 N 0.98 4.55 0.18 1.54 -6.30 -1.26 -0.64 118.70 117.74 3irh s GLU 397 Ca -0.07 1.90 -0.22 0.00 -2.50 0.00 0.00 54.97 54.08 3irh s GLU 397 Cb -0.09 -3.18 0.09 0.00 0.00 0.00 0.00 34.13 30.95 3irh s GLU 397 CO -0.05 0.07 1.59 1.25 0.02 0.00 0.00 175.26 178.13 3irh h LEU 398 N 4.04 -1.16 -2.23 2.70 5.85 -1.45 -1.57 115.31 121.50 3irh h LEU 398 Ca -0.47 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3irh h LEU 398 Cb 1.21 0.56 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 3irh h LEU 398 CO 0.68 -0.31 0.11 0.00 -0.34 0.00 0.00 178.44 178.58 3irh h ALA 399 N 0.88 1.84 -0.81 1.25 0.00 -1.87 -1.73 119.26 118.82 3irh h ALA 399 Ca 0.21 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3irh h ALA 399 Cb 0.55 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3irh h ALA 399 CO -0.63 -0.18 0.43 1.15 0.00 0.00 0.00 179.25 180.02 3irh h THR 400 N 0.00 1.24 -0.01 0.00 2.02 -1.67 -3.18 112.91 111.30 3irh h THR 400 Ca 0.06 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3irh h THR 400 Cb 0.28 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3irh h THR 400 CO -0.00 0.28 -0.51 1.33 0.37 0.00 0.00 175.52 176.99 3irh n VAL 401 N -4.39 0.00 -3.88 3.16 0.24 -0.70 -4.88 118.33 107.88 3irh n VAL 401 Ca 0.08 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.83 3irh n VAL 401 Cb 0.11 1.24 -0.16 0.00 -1.47 0.00 0.00 33.84 33.56 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 -2.50 3.82 0.37 -1.34 0.15 -0.89 -4.98 113.70 108.33 3irh s SER 402 Ca 0.18 -1.30 0.03 0.00 0.70 0.00 0.00 55.95 55.56 3irh s SER 402 Cb 0.18 -1.07 0.69 0.00 -1.71 0.00 0.00 66.02 64.11 3irh s SER 402 CO 0.59 -0.30 2.02 -0.65 1.20 0.00 0.00 173.24 176.11 3irh h PRO 403 N 7.99 0.76 0.44 5.44 0.11 -1.90 -0.22 132.00 144.63 3irh h PRO 403 Ca -0.15 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 3irh h PRO 403 Cb 1.06 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3irh h PRO 403 CO 0.42 0.50 -0.21 1.25 -0.21 0.00 0.00 178.00 179.76 3irh h LEU 404 N 0.78 -0.50 -0.64 2.35 5.85 -1.94 0.24 115.31 121.46 3irh h LEU 404 Ca 0.21 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3irh h LEU 404 Cb -0.08 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3irh h LEU 404 CO -0.05 -0.35 0.37 0.58 -0.34 0.00 0.00 178.44 178.65 3irh h VAL 405 N -0.59 1.20 -0.48 1.05 2.07 -1.85 -1.65 116.25 115.99 3irh h VAL 405 Ca -0.06 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3irh h VAL 405 Cb 0.45 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3irh h VAL 405 CO 0.10 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.19 3irh h ALA 406 N 1.18 1.61 -0.37 1.67 0.00 -0.91 0.10 119.26 122.55 3irh h ALA 406 Ca 0.23 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3irh h ALA 406 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3irh h ALA 406 CO -0.04 0.35 -0.08 0.00 0.00 0.00 0.00 179.25 179.47 3irh h ALA 407 N 1.66 0.51 -0.19 0.00 0.00 -0.02 -1.07 119.26 120.15 3irh h ALA 407 Ca 0.17 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3irh h ALA 407 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3irh h ALA 407 CO -0.03 0.36 -0.48 -0.07 0.00 0.00 0.00 179.25 179.02 3irh h LEU 408 N 0.50 0.76 -1.72 0.00 3.38 -0.89 -2.74 115.31 114.60 3irh h LEU 408 Ca 0.09 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 3irh h LEU 408 Cb 0.59 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3irh h LEU 408 CO 0.04 1.19 -0.17 0.00 0.09 0.00 0.00 178.44 179.59 3irh h ALA 409 N 0.58 1.56 -0.25 1.53 0.00 -1.05 -2.98 119.26 118.66 3irh h ALA 409 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3irh h ALA 409 Cb 1.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3irh h ALA 409 CO 0.10 0.21 -0.06 0.78 0.00 0.00 0.00 179.25 180.29 3irh h GLY 410 N 0.64 0.53 -4.18 0.00 0.00 -0.90 -3.17 103.07 95.99 3irh h GLY 410 Ca -0.00 -0.43 -0.68 0.00 0.00 0.00 0.00 47.33 46.22 3irh h GLY 410 CO 0.02 0.40 0.61 0.61 0.00 0.00 0.00 176.54 178.18 3irh n GLN 411 N -4.55 2.86 -2.61 4.80 10.64 -1.07 -4.86 117.38 122.60 3irh n GLN 411 Ca -0.04 -3.51 -0.43 0.00 -1.83 0.00 0.00 57.00 51.19 3irh n GLN 411 Cb 0.30 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.40 3irh n GLN 411 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3irh n SER 412 N -0.80 5.05 -4.70 2.61 7.64 -1.13 -4.99 113.62 117.30 3irh n SER 412 Ca 0.58 -3.01 -0.28 0.00 1.01 0.00 0.00 58.87 57.17 3irh n SER 412 Cb 0.62 -1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 62.18 3irh n SER 412 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3irh s GLN 413 N 1.58 2.57 0.26 1.43 -1.52 -1.26 -5.00 119.66 117.71 3irh s GLN 413 Ca 0.43 -0.93 -0.01 0.00 -1.95 0.00 0.00 55.36 52.90 3irh s GLN 413 Cb 0.03 -2.50 0.05 0.00 -0.22 0.00 0.00 33.01 30.38 3irh s GLN 413 CO 0.01 0.50 0.36 0.41 -0.25 0.00 0.00 175.29 176.31 3irh n GLY 414 N 0.15 0.40 3.38 3.09 0.00 -1.26 -5.04 105.19 105.92 3irh n GLY 414 Ca -0.10 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 3irh n GLY 414 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3irh s ASP 415 N -2.42 2.22 -0.02 1.61 -4.77 -1.26 -4.97 116.67 107.06 3irh s ASP 415 Ca 0.23 -1.77 0.00 0.00 -3.30 0.00 0.00 52.55 47.71 3irh s ASP 415 Cb -0.01 0.59 0.03 0.00 -1.09 0.00 0.00 42.92 42.43 3irh s ASP 415 CO 0.15 -1.05 0.02 -1.61 0.70 0.00 0.00 175.17 173.38 3irh s GLU 416 N -3.49 0.07 0.06 2.11 0.41 -1.26 -3.47 118.70 113.12 3irh s GLU 416 Ca 0.33 0.13 0.05 0.00 -0.41 0.00 0.00 54.97 55.08 3irh s GLU 416 Cb 0.02 -0.29 -0.03 0.00 -1.78 0.00 0.00 34.13 32.05 3irh s GLU 416 CO 0.23 -0.14 -0.14 1.03 -0.49 0.00 0.00 175.26 175.76 3irh s ARG 417 N 0.94 0.81 -0.16 1.61 0.52 0.24 -2.28 118.95 120.62 3irh s ARG 417 Ca -0.08 -0.89 -0.01 0.00 -0.52 0.00 0.00 55.73 54.22 3irh s ARG 417 Cb -0.12 -0.80 -0.01 0.00 0.52 0.00 0.00 34.95 34.54 3irh s ARG 417 CO -0.02 0.18 -0.11 0.12 0.02 0.00 0.00 175.30 175.49 3irh s PHE 418 N -1.18 2.86 0.04 -0.53 5.36 0.47 -1.05 117.98 123.95 3irh s PHE 418 Ca -0.02 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.12 3irh s PHE 418 Cb -0.09 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.61 3irh s PHE 418 CO 0.02 -0.38 0.12 0.71 -1.46 0.00 0.00 175.22 174.23 3irh s TYR 419 N 0.81 3.32 0.16 10.12 1.51 0.51 -1.32 117.35 132.46 3irh s TYR 419 Ca -0.04 0.18 -0.23 0.00 -1.01 0.00 0.00 57.07 55.97 3irh s TYR 419 Cb -0.15 -1.71 0.07 0.00 -0.11 0.00 0.00 41.96 40.06 3irh s TYR 419 CO 0.01 0.56 0.59 -0.59 -1.11 0.00 0.00 175.55 175.01 3irh s PHE 420 N -1.35 -0.51 0.46 2.71 -0.12 -0.53 -3.20 117.98 115.44 3irh s PHE 420 Ca 0.28 0.29 -0.24 0.00 -0.05 0.00 0.00 56.93 57.21 3irh s PHE 420 Cb -0.12 0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 42.74 3irh s PHE 420 CO 0.20 -0.86 1.30 -2.14 -0.05 0.00 0.00 175.22 173.68 3irh s PRO 421 N -3.76 3.67 0.47 1.99 0.02 -1.25 -0.04 135.00 136.10 3irh s PRO 421 Ca 0.01 2.12 0.18 0.00 0.02 0.00 0.00 61.00 63.33 3irh s PRO 421 Cb -0.01 -2.53 1.17 0.00 0.02 0.00 0.00 34.50 33.15 3irh s PRO 421 CO -0.12 -0.73 2.00 -0.22 -0.33 0.00 0.00 177.00 177.60 3irh h LYS 422 N 2.17 0.23 -0.57 5.54 3.64 -1.93 -2.38 116.57 123.28 3irh h LYS 422 Ca -0.50 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.03 3irh h LYS 422 Cb 1.26 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3irh h LYS 422 CO 0.60 0.15 0.52 0.93 -2.27 0.00 0.00 179.45 179.39 3irh h GLU 423 N 0.24 0.00 0.00 1.90 3.07 -1.97 0.26 114.58 118.08 3irh h GLU 423 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3irh h GLU 423 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3irh h GLU 423 CO -0.05 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.23 3irh n MET 424 N -3.90 0.15 -4.00 2.33 2.81 -0.90 -4.36 117.12 109.25 3irh n MET 424 Ca 0.11 0.40 -0.31 0.00 -1.81 0.00 0.00 57.70 56.09 3irh n MET 424 Cb 0.74 -1.79 -0.15 0.00 -0.71 0.00 0.00 33.22 31.30 3irh n MET 424 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3irh s LEU 425 N -4.15 2.92 0.00 4.03 1.43 0.08 -4.58 118.68 118.41 3irh s LEU 425 Ca 0.04 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 3irh s LEU 425 Cb 0.09 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.96 3irh s LEU 425 CO 0.34 -0.21 0.00 0.47 0.23 0.00 0.00 176.35 177.19 3irh n ASP 426 N 4.57 0.00 0.00 2.29 9.92 -1.26 -4.98 116.55 127.09 3irh n ASP 426 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 3irh n ASP 426 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 3irh n ASP 426 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3irh n HIS 432 N 0.00 0.00 -0.21 1.24 8.25 -1.26 -5.19 115.22 118.05 3irh n HIS 432 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3irh n HIS 432 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3irh n HIS 432 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3irh n TYR 433 N -0.18 0.00 -1.70 4.41 4.01 -1.26 -5.12 117.16 117.32 3irh n TYR 433 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 3irh n TYR 433 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 3irh n TYR 433 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3irh n ASP 434 N -0.13 2.43 0.14 7.72 10.43 -1.26 -4.93 116.55 130.94 3irh n ASP 434 Ca 0.00 1.07 0.12 0.00 2.57 0.00 0.00 54.79 58.55 3irh n ASP 434 Cb 0.05 -1.50 0.07 0.00 1.84 0.00 0.00 41.12 41.58 3irh n ASP 434 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3irh h LEU 435 N 1.88 0.00 -0.89 0.64 3.38 -2.06 -3.32 115.31 114.95 3irh h LEU 435 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3irh h LEU 435 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3irh h LEU 435 CO 0.59 0.01 0.00 0.49 0.09 0.00 0.00 178.44 179.61 3irh n PHE 436 N -2.77 0.32 -0.16 1.13 3.72 -1.26 -4.40 117.46 114.04 3irh n PHE 436 Ca 0.02 -0.16 0.13 0.00 -0.05 0.00 0.00 57.45 57.39 3irh n PHE 436 Cb 0.53 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.55 3irh n PHE 436 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3irh h ASP 437 N 1.42 0.44 -0.78 4.37 3.32 -1.97 -0.30 116.42 122.93 3irh h ASP 437 Ca 0.00 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3irh h ASP 437 Cb 0.32 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 3irh h ASP 437 CO 0.00 0.24 0.48 -0.33 -1.72 0.00 0.00 179.24 177.91 3irh h GLU 438 N 0.48 0.87 -0.23 3.56 5.08 -1.91 -2.18 114.58 120.27 3irh h GLU 438 Ca 0.35 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.48 3irh h GLU 438 Cb 0.71 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3irh h GLU 438 CO -0.12 0.58 -0.57 1.15 -1.00 0.00 0.00 179.01 179.05 3irh h THR 439 N 0.90 1.29 -0.62 1.13 2.02 -1.40 -2.39 112.91 113.84 3irh h THR 439 Ca 0.33 -1.77 0.01 0.00 0.77 0.00 0.00 66.41 65.75 3irh h THR 439 Cb 0.11 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 3irh h THR 439 CO -0.15 0.57 0.41 1.88 0.37 0.00 0.00 175.52 178.60 3irh h TYR 440 N 0.54 0.79 -0.54 3.16 0.05 -1.38 -0.47 116.97 119.12 3irh h TYR 440 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3irh h TYR 440 Cb 1.19 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.63 3irh h TYR 440 CO 0.08 0.50 0.33 -0.09 -1.05 0.00 0.00 178.16 177.94 3irh h ARG 441 N 0.84 0.72 -0.24 4.88 2.43 -1.35 -2.21 114.38 119.46 3irh h ARG 441 Ca 0.23 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3irh h ARG 441 Cb -0.09 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3irh h ARG 441 CO -0.05 0.50 0.03 1.49 -1.51 0.00 0.00 179.97 180.44 3irh h GLU 442 N 0.72 0.39 -0.17 0.20 4.81 -1.18 -3.00 114.58 116.35 3irh h GLU 442 Ca 0.19 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3irh h GLU 442 Cb -0.04 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 3irh h GLU 442 CO -0.04 0.53 -0.21 0.35 -0.73 0.00 0.00 179.01 178.92 3irh h PHE 443 N 0.19 -0.55 0.00 0.92 3.57 -0.95 -2.37 116.94 117.76 3irh h PHE 443 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3irh h PHE 443 Cb 0.33 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3irh h PHE 443 CO 0.02 -0.29 0.00 -1.13 -2.23 0.00 0.00 178.31 174.69 3irh n SER 444 N -5.35 0.00 0.21 0.41 3.41 -0.84 -1.82 113.62 109.63 3irh n SER 444 Ca -0.02 0.18 0.14 0.00 -0.26 0.00 0.00 58.87 58.92 3irh n SER 444 Cb 0.26 -0.37 0.51 0.00 -0.26 0.00 0.00 64.21 64.35 3irh n SER 444 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3irh h SER 445 N 0.00 0.00 -0.06 4.04 4.64 -1.28 -2.47 113.55 118.43 3irh h SER 445 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3irh h SER 445 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3irh h SER 445 CO 0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 3irh n TYR 446 N -2.75 0.06 -3.97 4.77 4.02 -0.76 -4.71 117.16 113.82 3irh n TYR 446 Ca 0.02 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 3irh n TYR 446 Cb 0.34 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.52 3irh n TYR 446 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3irh s ILE 447 N -1.94 2.51 -0.06 -0.72 -1.09 -0.93 0.31 121.20 119.27 3irh s ILE 447 Ca 0.37 -2.18 0.03 0.00 -2.23 0.00 0.00 60.65 56.63 3irh s ILE 447 Cb 0.20 -2.77 0.01 0.00 -1.58 0.00 0.00 42.46 38.32 3irh s ILE 447 CO 0.32 -0.55 -0.13 -2.28 -1.23 0.00 0.00 174.94 171.06 3irh s HIS 448 N 0.98 1.53 -1.48 3.97 2.46 -0.49 -4.76 115.29 117.50 3irh s HIS 448 Ca 0.08 -0.55 -0.12 0.00 0.47 0.00 0.00 55.06 54.94 3irh s HIS 448 Cb -0.20 -1.10 0.07 0.00 -0.13 0.00 0.00 32.58 31.22 3irh s HIS 448 CO -0.07 -0.26 0.99 0.09 -2.47 0.00 0.00 174.74 173.02 3irh n ASN 449 N 3.69 -4.66 -1.13 9.88 3.02 -1.26 -1.46 115.26 123.33 3irh n ASN 449 Ca -0.22 -0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 53.44 3irh n ASN 449 Cb 0.52 -4.08 -0.06 0.00 -0.61 0.00 0.00 39.78 35.55 3irh n ASN 449 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3irh n GLY 450 N -1.73 1.50 3.16 7.41 0.00 -1.26 -4.99 105.19 109.29 3irh n GLY 450 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 3irh n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irh s ALA 451 N -2.52 1.10 0.11 4.61 0.00 -0.54 -1.92 121.76 122.60 3irh s ALA 451 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 3irh s ALA 451 Cb 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 3irh s ALA 451 CO 0.00 0.14 1.64 -0.51 0.00 0.00 0.00 175.76 177.03 3irh s LEU 452 N -1.74 4.37 -0.35 0.00 1.43 0.77 -1.40 118.68 121.76 3irh s LEU 452 Ca -0.03 2.56 -0.19 0.00 -1.03 0.00 0.00 54.13 55.44 3irh s LEU 452 Cb -0.10 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.55 3irh s LEU 452 CO 0.02 -0.88 0.58 -0.69 0.23 0.00 0.00 176.35 175.61 3irh s VAL 453 N 2.10 4.95 -1.23 -1.59 1.01 0.15 -4.91 120.40 120.88 3irh s VAL 453 Ca 0.73 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.99 3irh s VAL 453 Cb -0.42 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 3irh s VAL 453 CO 0.32 -0.26 1.86 0.18 0.00 0.00 0.00 175.10 177.20 3irh n LEU 454 N 5.90 4.00 -0.07 3.92 4.77 -1.26 -4.57 117.00 129.68 3irh n LEU 454 Ca -0.03 -3.51 -0.08 0.00 -0.03 0.00 0.00 56.01 52.35 3irh n LEU 454 Cb 0.49 -1.73 -0.06 0.00 -2.33 0.00 0.00 43.42 39.79 3irh n LEU 454 CO 0.47 -0.87 -0.04 0.11 -1.33 0.00 0.00 177.39 175.73 3irh h LYS 455 N 8.64 0.00 -0.02 3.23 1.57 -1.94 -3.52 116.57 124.52 3irh h LYS 455 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3irh h LYS 455 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3irh h LYS 455 CO 1.36 0.44 0.00 1.63 -0.57 0.00 0.00 179.45 182.31