#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imi s HIS 3 N 0.00 2.73 0.42 3.10 3.76 -1.26 -5.10 115.29 118.94 3imi s HIS 3 Ca 0.00 -2.94 -0.08 0.00 -0.15 0.00 0.00 55.06 51.89 3imi s HIS 3 Cb 0.00 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.40 3imi s HIS 3 CO 0.00 -0.68 0.76 0.95 -0.85 0.00 0.00 174.74 174.92 3imi s THR 4 N -0.62 4.85 0.33 1.30 -4.23 -1.26 -4.95 115.64 111.07 3imi s THR 4 Ca 0.23 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.16 3imi s THR 4 Cb -0.11 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.21 3imi s THR 4 CO -0.11 -0.63 1.99 0.00 -0.54 0.00 0.00 174.62 175.34 3imi h ALA 5 N 0.90 1.50 0.00 3.99 0.00 -1.96 -2.42 119.26 121.28 3imi h ALA 5 Ca -0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3imi h ALA 5 Cb 1.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3imi h ALA 5 CO 0.63 0.46 -0.14 0.22 0.00 0.00 0.00 179.25 180.43 3imi h ASP 6 N 0.94 0.00 -0.27 0.00 3.58 -2.01 -2.53 116.42 116.13 3imi h ASP 6 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 3imi h ASP 6 Cb -0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.95 3imi h ASP 6 CO -0.05 0.14 0.00 0.59 -2.88 0.00 0.00 179.24 177.03 3imi n ASN 7 N -3.95 3.22 -4.65 2.28 5.03 -0.94 -4.96 115.26 111.28 3imi n ASN 7 Ca -0.02 -1.95 -0.41 0.00 0.87 0.00 0.00 54.58 53.06 3imi n ASN 7 Cb 0.23 -0.17 -0.05 0.00 -1.02 0.00 0.00 39.78 38.77 3imi n ASN 7 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3imi h ILE 9 N 5.30 1.22 -0.30 0.00 3.07 -1.93 -1.80 117.51 123.07 3imi h ILE 9 Ca -0.27 -1.03 -0.15 0.00 1.55 0.00 0.00 64.86 64.96 3imi h ILE 9 Cb 1.12 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.98 3imi h ILE 9 CO 0.83 0.32 -0.41 -0.26 -1.05 0.00 0.00 178.15 177.57 3imi h PHE 10 N 0.28 0.90 -0.57 0.16 0.04 -1.95 -1.49 116.94 114.30 3imi h PHE 10 Ca 0.05 -0.27 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 3imi h PHE 10 Cb 0.51 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 3imi h PHE 10 CO 0.01 1.04 0.29 0.00 -0.60 0.00 0.00 178.31 179.04 3imi h LYS 12 N 0.80 1.06 -0.20 0.00 1.57 -0.97 0.35 116.57 119.19 3imi h LYS 12 Ca 0.20 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3imi h LYS 12 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3imi h LYS 12 CO -0.03 0.84 0.03 0.82 -0.57 0.00 0.00 179.45 180.54 3imi h ILE 13 N 1.05 1.23 -0.78 1.86 2.04 -0.83 0.67 117.51 122.75 3imi h ILE 13 Ca 0.25 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.42 3imi h ILE 13 Cb 0.15 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3imi h ILE 13 CO -0.03 0.24 0.45 0.40 0.00 0.00 0.00 178.15 179.21 3imi h ILE 14 N 0.12 0.97 0.00 -0.67 2.04 -0.89 -0.94 117.51 118.14 3imi h ILE 14 Ca 0.06 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3imi h ILE 14 Cb 0.33 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3imi h ILE 14 CO 0.01 0.15 0.00 -0.67 0.00 0.00 0.00 178.15 177.63 3imi n ASP 15 N -4.72 0.00 -0.02 1.72 2.03 0.09 -4.91 116.55 110.75 3imi n ASP 15 Ca 0.11 -0.65 -0.00 0.00 0.52 0.00 0.00 54.79 54.78 3imi n ASP 15 Cb 0.21 -0.11 -0.00 0.00 -0.72 0.00 0.00 41.12 40.50 3imi n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3imi n GLY 16 N 1.09 0.46 0.12 0.27 0.00 -0.36 -4.90 105.19 101.86 3imi n GLY 16 Ca 0.20 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3imi n GLY 16 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3imi h GLN 17 N 0.79 0.00 -4.72 1.61 4.20 -1.16 -3.44 115.11 112.39 3imi h GLN 17 Ca -0.01 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 3imi h GLN 17 Cb 0.11 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 27.59 3imi h GLN 17 CO 0.01 0.00 -0.78 0.42 -0.67 0.00 0.00 178.83 177.80 3imi s ILE 18 N -3.13 0.75 0.44 2.54 1.01 -1.18 -4.96 121.20 116.67 3imi s ILE 18 Ca 0.09 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 3imi s ILE 18 Cb 0.11 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.84 3imi s ILE 18 CO 0.63 0.22 0.94 -0.76 0.00 0.00 0.00 174.94 175.97 3imi s LEU 19 N -0.10 3.90 0.11 2.97 1.02 -1.26 -4.37 118.68 120.95 3imi s LEU 19 Ca 0.02 1.65 -0.04 0.00 0.02 0.00 0.00 54.13 55.78 3imi s LEU 19 Cb -0.05 -4.51 -0.03 0.00 0.02 0.00 0.00 46.19 41.62 3imi s LEU 19 CO -0.00 -0.38 0.10 0.00 0.02 0.00 0.00 176.35 176.09 3imi s SER 21 N -2.97 6.19 0.13 0.00 0.01 -1.26 -5.03 113.70 110.77 3imi s SER 21 Ca 0.15 -1.99 -0.30 0.00 1.31 0.00 0.00 55.95 55.12 3imi s SER 21 Cb 0.06 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 64.06 3imi s SER 21 CO -0.04 -0.77 1.07 -0.75 0.41 0.00 0.00 173.24 173.15 3imi s LYS 22 N 1.28 4.60 -0.14 12.44 2.20 -1.26 -1.51 119.74 137.35 3imi s LYS 22 Ca 0.06 1.63 0.08 0.00 -0.36 0.00 0.00 55.97 57.38 3imi s LYS 22 Cb -0.26 -3.33 -0.14 0.00 -1.51 0.00 0.00 37.83 32.59 3imi s LYS 22 CO 0.00 0.06 -0.02 0.28 -0.36 0.00 0.00 175.35 175.32 3imi n VAL 23 N 2.78 0.90 -3.56 4.02 0.31 0.56 -4.94 118.33 118.41 3imi n VAL 23 Ca 0.04 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.75 3imi n VAL 23 Cb 0.47 -0.80 -0.05 0.00 -0.91 0.00 0.00 33.84 32.55 3imi n VAL 23 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3imi s TYR 24 N -2.32 -0.47 -0.19 3.52 5.04 -1.08 -4.99 117.35 116.86 3imi s TYR 24 Ca -0.11 0.80 -0.18 0.00 -2.44 0.00 0.00 57.07 55.13 3imi s TYR 24 Cb 0.04 0.44 0.05 0.00 0.35 0.00 0.00 41.96 42.84 3imi s TYR 24 CO 0.48 -0.44 0.51 -2.00 -1.34 0.00 0.00 175.55 172.76 3imi s GLU 25 N -1.17 0.61 0.00 4.97 2.12 -1.26 -1.02 118.70 122.94 3imi s GLU 25 Ca -0.05 0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.98 3imi s GLU 25 Cb -0.00 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.68 3imi s GLU 25 CO 0.04 -0.07 0.00 -0.40 -0.54 0.00 0.00 175.26 174.29 3imi n ASP 26 N 2.77 0.00 0.27 -1.70 5.68 -0.83 -5.02 116.55 117.73 3imi n ASP 26 Ca -0.14 -0.76 0.14 0.00 -0.50 0.00 0.00 54.79 53.54 3imi n ASP 26 Cb 0.56 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.31 3imi n ASP 26 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3imi h GLU 27 N 0.00 0.00 0.00 0.11 4.81 -2.03 -3.29 114.58 114.18 3imi h GLU 27 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3imi h GLU 27 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3imi h GLU 27 CO 0.00 0.09 -1.60 0.72 -0.73 0.00 0.00 179.01 177.49 3imi n HIS 28 N -3.48 0.00 -4.04 0.92 8.25 -1.26 -4.88 115.22 110.73 3imi n HIS 28 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 3imi n HIS 28 Cb 0.24 -0.38 -0.10 0.00 1.12 0.00 0.00 29.99 30.87 3imi n HIS 28 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3imi s VAL 29 N -2.51 0.19 -0.01 1.59 -7.23 -1.24 -1.01 120.40 110.18 3imi s VAL 29 Ca -0.05 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 3imi s VAL 29 Cb 0.05 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.67 3imi s VAL 29 CO 0.44 -0.88 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.00 3imi s LEU 30 N -2.69 2.00 -0.04 1.32 2.96 -0.35 -1.96 118.68 119.92 3imi s LEU 30 Ca 0.03 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3imi s LEU 30 Cb 0.05 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 46.05 3imi s LEU 30 CO -0.09 0.15 -0.14 0.00 -1.32 0.00 0.00 176.35 174.96 3imi s ALA 31 N -0.24 1.28 0.16 5.97 0.00 -0.19 -0.68 121.76 128.05 3imi s ALA 31 Ca 0.04 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 3imi s ALA 31 Cb -0.06 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3imi s ALA 31 CO -0.00 0.19 0.42 -0.59 0.00 0.00 0.00 175.76 175.78 3imi s PHE 32 N 0.26 -0.06 0.40 0.00 -0.12 -0.65 -0.32 117.98 117.49 3imi s PHE 32 Ca -0.07 -0.28 -0.25 0.00 -0.05 0.00 0.00 56.93 56.28 3imi s PHE 32 Cb -0.12 0.24 -0.08 0.00 -0.63 0.00 0.00 43.02 42.43 3imi s PHE 32 CO 0.02 -0.78 1.18 -0.51 -0.05 0.00 0.00 175.22 175.08 3imi s LEU 33 N -2.86 4.18 -0.15 -1.99 1.43 -0.57 -0.48 118.68 118.25 3imi s LEU 33 Ca 0.08 2.37 -0.29 0.00 -1.03 0.00 0.00 54.13 55.25 3imi s LEU 33 Cb 0.01 -4.03 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 3imi s LEU 33 CO -0.07 -0.70 1.04 -0.62 0.23 0.00 0.00 176.35 176.23 3imi s ASP 34 N -1.12 7.17 0.41 2.29 -1.08 -0.59 -4.74 116.67 119.01 3imi s ASP 34 Ca 0.57 1.50 0.28 0.00 -0.52 0.00 0.00 52.55 54.38 3imi s ASP 34 Cb -0.31 -2.55 1.45 0.00 -1.46 0.00 0.00 42.92 40.05 3imi s ASP 34 CO 0.39 -0.54 1.86 0.16 0.52 0.00 0.00 175.17 177.56 3imi h ILE 35 N 5.23 0.00 0.00 4.11 3.07 -1.94 -1.67 117.51 126.32 3imi h ILE 35 Ca -0.27 -0.08 -0.00 0.00 1.55 0.00 0.00 64.86 66.06 3imi h ILE 35 Cb 1.11 0.77 -0.00 0.00 -0.27 0.00 0.00 36.82 38.44 3imi h ILE 35 CO 0.91 0.00 -0.01 0.77 -1.05 0.00 0.00 178.15 178.76 3imi h SER 36 N 0.00 0.00 -6.88 2.16 4.64 -1.95 -3.48 113.55 108.04 3imi h SER 36 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3imi h SER 36 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3imi h SER 36 CO 0.00 0.01 -1.05 0.00 -0.87 0.00 0.00 176.83 174.92 3imi n GLN 37 N -3.10 -0.73 -0.02 4.77 1.13 -0.63 -4.78 117.38 114.02 3imi n GLN 37 Ca 0.03 0.33 0.14 0.00 -1.94 0.00 0.00 57.00 55.57 3imi n GLN 37 Cb 0.48 -2.41 0.58 0.00 0.11 0.00 0.00 30.24 29.01 3imi n GLN 37 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3imi h VAL 38 N -1.74 0.85 -4.21 5.09 -1.51 -1.92 -3.40 116.25 109.40 3imi h VAL 38 Ca -0.69 -0.08 -0.13 0.00 -1.23 0.00 0.00 66.70 64.58 3imi h VAL 38 Cb 1.41 0.61 -0.16 0.00 -2.13 0.00 0.00 31.29 31.02 3imi h VAL 38 CO 0.46 0.04 -0.68 0.42 -1.23 0.00 0.00 177.57 176.58 3imi s THR 39 N -5.22 0.21 -0.03 7.19 -4.23 -1.26 -2.18 115.64 110.12 3imi s THR 39 Ca -0.06 -1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 3imi s THR 39 Cb 0.19 -1.40 -0.06 0.00 1.34 0.00 0.00 72.50 72.57 3imi s THR 39 CO 0.73 -0.95 1.59 -0.75 -0.54 0.00 0.00 174.62 174.70 3imi s LYS 40 N -3.68 4.20 0.00 3.99 2.20 -1.26 -1.96 119.74 123.23 3imi s LYS 40 Ca 0.05 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.81 3imi s LYS 40 Cb 0.06 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 3imi s LYS 40 CO -0.09 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 3imi n GLY 41 N 3.99 0.71 3.69 5.54 0.00 -1.26 -4.74 105.19 113.12 3imi n GLY 41 Ca 0.16 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.66 3imi n GLY 41 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3imi n HIS 42 N -2.06 2.22 -4.37 1.61 -0.00 -0.83 -4.80 115.22 106.99 3imi n HIS 42 Ca 0.00 0.21 -0.22 0.00 -0.00 0.00 0.00 57.72 57.71 3imi n HIS 42 Cb 0.00 -2.58 -0.13 0.00 -0.00 0.00 0.00 29.99 27.28 3imi n HIS 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3imi s THR 43 N 3.85 1.37 -0.09 3.57 2.01 -0.41 -1.54 115.64 124.40 3imi s THR 43 Ca 0.95 -1.22 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 3imi s THR 43 Cb -0.84 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 3imi s THR 43 CO 0.57 -0.01 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.68 3imi s LEU 44 N -1.43 3.21 -0.18 4.42 1.43 0.37 0.37 118.68 126.88 3imi s LEU 44 Ca 0.03 -0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3imi s LEU 44 Cb -0.09 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3imi s LEU 44 CO 0.02 0.31 -0.15 -0.69 0.23 0.00 0.00 176.35 176.08 3imi s VAL 45 N -0.51 2.57 0.07 -1.59 1.01 -0.17 -1.64 120.40 120.15 3imi s VAL 45 Ca 0.08 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3imi s VAL 45 Cb -0.12 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3imi s VAL 45 CO 0.02 0.51 -0.15 0.27 0.00 0.00 0.00 175.10 175.75 3imi s ILE 46 N 1.12 1.19 0.46 2.22 -4.36 0.14 -1.47 121.20 120.50 3imi s ILE 46 Ca 0.00 -1.29 -0.21 0.00 -0.26 0.00 0.00 60.65 58.89 3imi s ILE 46 Cb -0.14 -1.12 -0.10 0.00 1.25 0.00 0.00 42.46 42.35 3imi s ILE 46 CO -0.05 -0.17 1.00 -2.16 0.24 0.00 0.00 174.94 173.80 3imi s PRO 47 N -1.68 4.00 0.45 0.37 0.04 -1.26 -1.20 135.00 135.72 3imi s PRO 47 Ca -0.01 1.27 0.28 0.00 0.04 0.00 0.00 61.00 62.58 3imi s PRO 47 Cb -0.10 -2.16 0.86 0.00 0.04 0.00 0.00 34.50 33.14 3imi s PRO 47 CO 0.02 -0.24 1.79 0.87 0.04 0.00 0.00 177.00 179.48 3imi h LYS 48 N 1.76 0.00 -6.07 4.56 1.57 -1.41 -3.43 116.57 113.56 3imi h LYS 48 Ca -0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.71 3imi h LYS 48 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 3imi h LYS 48 CO 0.60 0.00 -0.05 0.08 -0.57 0.00 0.00 179.45 179.51 3imi s VAL 49 N -3.39 4.92 -0.30 0.50 1.01 -1.26 -5.01 120.40 116.86 3imi s VAL 49 Ca 0.05 1.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.91 3imi s VAL 49 Cb 0.08 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3imi s VAL 49 CO 0.59 0.45 1.56 -2.28 0.00 0.00 0.00 175.10 175.42 3imi s HIS 50 N -0.37 2.19 -0.06 5.22 2.46 -1.26 -4.96 115.29 118.52 3imi s HIS 50 Ca 0.29 0.64 0.02 0.00 0.47 0.00 0.00 55.06 56.49 3imi s HIS 50 Cb -0.18 -4.08 0.01 0.00 -0.13 0.00 0.00 32.58 28.20 3imi s HIS 50 CO 0.16 -2.54 -0.12 0.15 -2.47 0.00 0.00 174.74 169.92 3imi s LYS 51 N 4.88 1.65 0.22 2.88 -0.14 -1.26 -5.03 119.74 122.92 3imi s LYS 51 Ca 0.69 -0.43 -0.02 0.00 -1.36 0.00 0.00 55.97 54.85 3imi s LYS 51 Cb -0.21 -1.38 0.20 0.00 -1.68 0.00 0.00 37.83 34.77 3imi s LYS 51 CO 0.30 0.06 1.60 0.37 -0.76 0.00 0.00 175.35 176.92 3imi h GLN 52 N 6.84 0.63 0.00 1.68 4.15 -1.92 0.39 115.11 126.87 3imi h GLN 52 Ca -0.31 -0.30 0.03 0.00 0.77 0.00 0.00 58.65 58.84 3imi h GLN 52 Cb 1.18 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 3imi h GLN 52 CO 0.48 0.89 0.27 -0.40 -1.93 0.00 0.00 178.83 178.14 3imi n ASP 53 N -4.05 -1.34 -0.21 -0.69 5.68 -1.26 -3.23 116.55 111.46 3imi n ASP 53 Ca -0.01 -1.84 0.13 0.00 -0.50 0.00 0.00 54.79 52.56 3imi n ASP 53 Cb 0.50 2.20 0.43 0.00 -1.14 0.00 0.00 41.12 43.11 3imi n ASP 53 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3imi h ILE 54 N 1.64 0.84 0.00 2.12 6.09 -1.92 -2.18 117.51 124.10 3imi h ILE 54 Ca -0.20 -0.20 -0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3imi h ILE 54 Cb 0.79 0.22 -0.00 0.00 0.47 0.00 0.00 36.82 38.30 3imi h ILE 54 CO 0.26 0.10 -0.02 -0.26 -3.07 0.00 0.00 178.15 175.16 3imi h PHE 55 N 0.57 0.00 -0.01 2.19 0.04 -2.00 -2.65 116.94 115.09 3imi h PHE 55 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 3imi h PHE 55 Cb 0.71 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.86 3imi h PHE 55 CO -0.00 0.02 -0.40 0.00 -0.60 0.00 0.00 178.31 177.33 3imi n ALA 56 N -2.10 3.38 -1.76 2.45 0.00 -0.82 -4.94 120.51 116.71 3imi n ALA 56 Ca 0.01 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.64 3imi n ALA 56 Cb 0.32 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 3imi n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3imi s LEU 57 N -2.70 4.45 0.65 0.00 1.43 -1.00 -4.94 118.68 116.57 3imi s LEU 57 Ca 0.18 2.30 -0.07 0.00 -1.03 0.00 0.00 54.13 55.51 3imi s LEU 57 Cb 0.18 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.70 3imi s LEU 57 CO 0.61 -0.28 0.97 0.42 0.23 0.00 0.00 176.35 178.30 3imi s THR 58 N -1.25 3.12 0.29 5.49 -4.23 -1.26 -4.92 115.64 112.89 3imi s THR 58 Ca 0.48 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 3imi s THR 58 Cb -0.31 -3.29 0.21 0.00 1.34 0.00 0.00 72.50 70.44 3imi s THR 58 CO 0.40 -0.32 1.90 -0.65 -0.54 0.00 0.00 174.62 175.42 3imi h PRO 59 N -0.41 0.93 -0.36 3.99 0.11 -1.99 -1.32 132.00 132.96 3imi h PRO 59 Ca -0.45 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 65.48 3imi h PRO 59 Cb 1.28 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3imi h PRO 59 CO 0.61 0.72 -0.02 0.93 -0.21 0.00 0.00 178.00 180.03 3imi h GLU 60 N 0.93 0.64 -0.39 1.05 3.07 -1.99 0.10 114.58 117.99 3imi h GLU 60 Ca 0.23 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 3imi h GLU 60 Cb 0.09 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3imi h GLU 60 CO -0.03 0.77 -0.02 0.82 -1.40 0.00 0.00 179.01 179.14 3imi h ILE 61 N 0.45 1.26 -0.64 3.13 1.08 -1.89 -1.42 117.51 119.49 3imi h ILE 61 Ca 0.10 -1.05 0.04 0.00 -0.39 0.00 0.00 64.86 63.56 3imi h ILE 61 Cb 0.49 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 3imi h ILE 61 CO 0.02 0.35 0.38 0.00 -0.69 0.00 0.00 178.15 178.21 3imi h ALA 62 N 0.87 0.83 -0.39 1.87 0.00 -1.11 -0.60 119.26 120.73 3imi h ALA 62 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3imi h ALA 62 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3imi h ALA 62 CO 0.02 0.11 0.26 0.77 0.00 0.00 0.00 179.25 180.41 3imi h SER 63 N 0.74 0.44 -0.72 0.00 0.02 -0.74 -1.57 113.55 111.72 3imi h SER 63 Ca 0.26 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3imi h SER 63 Cb 0.07 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3imi h SER 63 CO -0.13 0.32 0.32 0.45 -1.14 0.00 0.00 176.83 176.65 3imi h HIS 64 N 0.53 1.08 0.07 3.45 -0.00 -0.77 -0.53 115.15 118.97 3imi h HIS 64 Ca 0.15 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 3imi h HIS 64 Cb -0.05 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.03 3imi h HIS 64 CO -0.05 0.80 -0.03 0.82 -0.00 0.00 0.00 177.93 179.47 3imi h ILE 65 N 1.06 1.13 0.00 2.45 2.04 -0.86 -3.27 117.51 120.05 3imi h ILE 65 Ca 0.25 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 3imi h ILE 65 Cb 0.16 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3imi h ILE 65 CO -0.03 0.18 -0.42 0.15 0.00 0.00 0.00 178.15 178.04 3imi h PHE 66 N -0.43 0.00 0.00 1.37 3.57 -1.17 -3.16 116.94 117.12 3imi h PHE 66 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3imi h PHE 66 Cb 0.37 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 3imi h PHE 66 CO 0.04 0.42 -0.02 0.66 -2.23 0.00 0.00 178.31 177.17 3imi h SER 67 N 0.00 0.00 0.11 0.41 4.64 -1.14 -1.55 113.55 116.01 3imi h SER 67 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3imi h SER 67 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3imi h SER 67 CO 0.05 0.02 -0.71 1.33 -0.87 0.00 0.00 176.83 176.66 3imi n VAL 68 N -3.54 0.00 -0.14 0.95 0.24 -1.19 -4.53 118.33 110.11 3imi n VAL 68 Ca -0.03 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 3imi n VAL 68 Cb 0.11 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.35 3imi n VAL 68 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3imi h VAL 69 N 0.74 1.21 -0.93 3.34 2.07 -1.38 -2.42 116.25 118.88 3imi h VAL 69 Ca 0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3imi h VAL 69 Cb 0.57 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3imi h VAL 69 CO 0.00 0.24 0.58 -0.65 0.02 0.00 0.00 177.57 177.76 3imi h PRO 70 N 0.53 1.25 -0.15 1.57 0.11 -1.80 0.98 132.00 134.48 3imi h PRO 70 Ca 0.14 -0.10 -0.13 0.00 0.11 0.00 0.00 66.00 66.02 3imi h PRO 70 Cb 0.22 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3imi h PRO 70 CO -0.01 0.85 -0.47 1.57 -0.21 0.00 0.00 178.00 179.73 3imi h LYS 71 N 1.27 0.39 -0.22 1.05 2.10 -1.82 0.10 116.57 119.45 3imi h LYS 71 Ca 0.34 -0.22 -0.13 0.00 -2.00 0.00 0.00 60.65 58.64 3imi h LYS 71 Cb -0.09 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.25 3imi h LYS 71 CO -0.07 0.79 -0.35 0.82 -2.00 0.00 0.00 179.45 178.64 3imi h ILE 72 N 0.32 1.32 -0.54 0.07 2.04 -1.09 -1.95 117.51 117.68 3imi h ILE 72 Ca 0.02 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3imi h ILE 72 Cb 0.95 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 3imi h ILE 72 CO 0.08 0.49 0.34 0.00 0.00 0.00 0.00 178.15 179.06 3imi h ALA 73 N 0.63 0.69 -0.54 1.87 0.00 -0.63 -1.77 119.26 119.51 3imi h ALA 73 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3imi h ALA 73 Cb 0.94 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3imi h ALA 73 CO 0.08 0.16 0.26 -0.91 0.00 0.00 0.00 179.25 178.84 3imi h ASN 74 N 0.73 0.67 -0.36 0.00 2.35 -0.78 0.35 115.58 118.54 3imi h ASN 74 Ca 0.20 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3imi h ASN 74 Cb -0.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3imi h ASN 74 CO -0.04 0.57 0.07 0.00 -1.65 0.00 0.00 177.43 176.38 3imi h ALA 75 N 1.54 0.47 -0.45 -0.83 0.00 -0.83 0.82 119.26 119.98 3imi h ALA 75 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3imi h ALA 75 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3imi h ALA 75 CO -0.03 0.16 0.15 0.82 0.00 0.00 0.00 179.25 180.35 3imi h ILE 76 N 0.43 1.22 -0.16 0.00 2.04 -1.00 -2.07 117.51 117.96 3imi h ILE 76 Ca 0.11 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3imi h ILE 76 Cb 0.34 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3imi h ILE 76 CO 0.00 0.26 0.01 0.50 0.00 0.00 0.00 178.15 178.92 3imi h LYS 77 N 0.58 0.06 -0.38 2.37 3.64 -0.76 -0.26 116.57 121.82 3imi h LYS 77 Ca 0.15 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3imi h LYS 77 Cb 0.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3imi h LYS 77 CO -0.01 0.04 0.18 0.00 -2.27 0.00 0.00 179.45 177.40 3imi h ALA 78 N 1.13 1.62 0.00 5.00 0.00 -0.68 -1.25 119.26 125.08 3imi h ALA 78 Ca 0.07 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3imi h ALA 78 Cb 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3imi h ALA 78 CO -0.12 0.31 -1.68 0.39 0.00 0.00 0.00 179.25 178.16 3imi n GLU 79 N -4.42 0.63 0.00 0.00 -0.58 -0.79 -4.48 120.64 111.00 3imi n GLU 79 Ca 0.02 0.27 0.01 0.00 -0.42 0.00 0.00 57.16 57.04 3imi n GLU 79 Cb 0.11 -1.78 0.01 0.00 -0.57 0.00 0.00 31.44 29.21 3imi n GLU 79 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3imi n PHE 80 N -2.99 0.00 -4.01 -0.32 3.72 -0.15 -5.05 117.46 108.66 3imi n PHE 80 Ca -0.16 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.93 3imi n PHE 80 Cb 1.01 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.53 3imi n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3imi n ASN 81 N 0.05 -1.49 -4.78 4.37 5.15 -0.47 -4.94 115.26 113.14 3imi n ASN 81 Ca 0.01 -1.12 -0.32 0.00 -0.60 0.00 0.00 54.58 52.55 3imi n ASN 81 Cb 0.04 -2.53 0.07 0.00 -0.53 0.00 0.00 39.78 36.83 3imi n ASN 81 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3imi s PRO 82 N -6.80 2.59 0.06 1.20 0.04 -1.26 -4.95 135.00 125.88 3imi s PRO 82 Ca 0.16 1.17 0.25 0.00 0.04 0.00 0.00 61.00 62.63 3imi s PRO 82 Cb -0.07 -1.94 0.59 0.00 0.04 0.00 0.00 34.50 33.12 3imi s PRO 82 CO 0.92 -1.38 1.49 1.33 0.04 0.00 0.00 177.00 179.40 3imi n VAL 83 N -3.11 0.17 -3.72 -0.36 0.24 0.42 -4.96 118.33 107.02 3imi n VAL 83 Ca 0.09 -0.12 -0.03 0.00 -2.04 0.00 0.00 64.34 62.24 3imi n VAL 83 Cb 0.53 -0.07 0.02 0.00 -1.47 0.00 0.00 33.84 32.84 3imi n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3imi n GLY 84 N 1.43 0.90 3.63 7.63 0.00 -1.08 -5.00 105.19 112.70 3imi n GLY 84 Ca 0.05 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 3imi n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3imi s PHE 85 N -3.43 -0.74 0.11 1.61 5.36 -1.26 -1.12 117.98 118.51 3imi s PHE 85 Ca 0.15 1.80 0.08 0.00 -0.96 0.00 0.00 56.93 58.01 3imi s PHE 85 Cb -0.02 0.29 -0.04 0.00 -0.34 0.00 0.00 43.02 42.92 3imi s PHE 85 CO 0.05 -0.36 -0.21 -0.80 -1.46 0.00 0.00 175.22 172.45 3imi s ASN 86 N 0.39 2.55 -0.05 6.13 -0.87 0.26 -4.96 114.94 118.38 3imi s ASN 86 Ca 0.00 -0.71 0.04 0.00 -1.57 0.00 0.00 52.86 50.62 3imi s ASN 86 Cb -0.05 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.25 41.02 3imi s ASN 86 CO -0.01 0.05 -0.15 -0.76 -2.57 0.00 0.00 177.10 173.66 3imi s LEU 87 N -1.99 2.69 -0.02 0.60 1.43 -1.26 -0.79 118.68 119.34 3imi s LEU 87 Ca 0.07 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3imi s LEU 87 Cb -0.10 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.59 3imi s LEU 87 CO 0.04 0.34 0.05 -0.22 0.23 0.00 0.00 176.35 176.79 3imi s LEU 88 N -0.68 1.80 -0.04 1.79 2.96 -0.75 -4.98 118.68 118.78 3imi s LEU 88 Ca 0.10 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3imi s LEU 88 Cb -0.11 0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.78 3imi s LEU 88 CO 0.01 -0.02 -0.02 0.21 -1.32 0.00 0.00 176.35 175.21 3imi s ASN 89 N 0.03 0.77 -0.17 3.68 3.04 -1.26 -0.59 114.94 120.44 3imi s ASN 89 Ca -0.00 -0.08 -0.04 0.00 0.04 0.00 0.00 52.86 52.78 3imi s ASN 89 Cb -0.00 -0.35 -0.02 0.00 -1.54 0.00 0.00 41.25 39.33 3imi s ASN 89 CO 0.00 -0.08 -0.03 0.20 -3.04 0.00 0.00 177.10 174.15 3imi s ASN 90 N 1.03 4.76 -0.14 -4.21 0.01 -1.26 -5.09 114.94 110.04 3imi s ASN 90 Ca -0.10 -0.17 -0.01 0.00 -0.71 0.00 0.00 52.86 51.88 3imi s ASN 90 Cb -0.14 -1.79 0.03 0.00 0.41 0.00 0.00 41.25 39.77 3imi s ASN 90 CO -0.01 0.12 -0.06 0.20 -1.51 0.00 0.00 177.10 175.84 3imi s ASN 91 N 0.63 2.51 0.00 -1.22 0.01 -1.26 -4.52 114.94 111.09 3imi s ASN 91 Ca -0.02 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 3imi s ASN 91 Cb -0.14 -0.87 0.00 0.00 0.41 0.00 0.00 41.25 40.65 3imi s ASN 91 CO 0.02 -0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 3imi n GLY 92 N 4.91 1.53 0.36 0.66 0.00 -1.26 -4.31 105.19 107.07 3imi n GLY 92 Ca -0.12 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.42 3imi n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3imi h GLU 93 N 0.00 0.94 0.00 1.61 4.81 -1.94 -0.39 114.58 119.61 3imi h GLU 93 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3imi h GLU 93 Cb 0.00 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.17 3imi h GLU 93 CO 0.00 0.62 0.00 1.63 -0.73 0.00 0.00 179.01 180.53 3imi n LYS 94 N -4.64 0.20 -0.24 1.92 5.02 -1.26 -2.06 118.16 117.11 3imi n LYS 94 Ca 0.19 0.12 0.06 0.00 -2.02 0.00 0.00 58.31 56.66 3imi n LYS 94 Cb 0.35 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.03 3imi n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3imi n ALA 95 N -1.34 2.43 -0.22 7.82 0.00 -0.39 -4.97 120.51 123.85 3imi n ALA 95 Ca 0.08 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.89 3imi n ALA 95 Cb 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3imi n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3imi n GLY 96 N -0.10 0.78 3.72 0.00 0.00 -0.87 -4.42 105.19 104.30 3imi n GLY 96 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3imi n GLY 96 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3imi s GLN 97 N -0.78 4.52 -0.01 1.61 0.74 -0.30 -4.89 119.66 120.56 3imi s GLN 97 Ca 0.00 1.64 0.01 0.00 0.05 0.00 0.00 55.36 57.05 3imi s GLN 97 Cb 0.00 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 3imi s GLN 97 CO 0.00 -0.09 0.01 0.25 -0.55 0.00 0.00 175.29 174.90 3imi n THR 98 N 3.50 0.04 -4.11 -0.34 -2.24 -1.26 -4.14 114.28 105.73 3imi n THR 98 Ca 0.06 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 3imi n THR 98 Cb 0.48 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 67.88 3imi n THR 98 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3imi s VAL 99 N -2.03 3.00 -0.88 2.28 1.01 -1.26 -5.03 120.40 117.49 3imi s VAL 99 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3imi s VAL 99 Cb 0.00 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 34.09 3imi s VAL 99 CO 0.03 0.47 2.72 0.49 0.00 0.00 0.00 175.10 178.81 3imi n PHE 100 N 4.54 1.93 -3.71 5.22 3.72 -1.26 -4.71 117.46 123.17 3imi n PHE 100 Ca -0.19 -2.37 -0.17 0.00 -0.05 0.00 0.00 57.45 54.67 3imi n PHE 100 Cb 0.51 -1.70 -0.16 0.00 -0.94 0.00 0.00 39.48 37.19 3imi n PHE 100 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3imi s HIS 101 N -0.83 -0.05 0.13 1.38 2.46 -1.21 -4.29 115.29 112.87 3imi s HIS 101 Ca 0.59 0.35 -0.35 0.00 0.47 0.00 0.00 55.06 56.11 3imi s HIS 101 Cb 0.27 -0.28 -0.15 0.00 -0.13 0.00 0.00 32.58 32.29 3imi s HIS 101 CO -0.13 -0.17 1.47 0.34 -2.47 0.00 0.00 174.74 173.78 3imi n PHE 102 N 4.76 1.94 -3.77 3.88 7.35 0.14 -4.88 117.46 126.88 3imi n PHE 102 Ca -0.15 0.43 -0.13 0.00 -0.76 0.00 0.00 57.45 56.84 3imi n PHE 102 Cb 0.50 -2.45 -0.10 0.00 0.35 0.00 0.00 39.48 37.78 3imi n PHE 102 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 3imi s HIS 103 N 0.73 -0.27 -0.15 -5.13 -3.43 -1.26 -4.21 115.29 101.58 3imi s HIS 103 Ca 0.81 0.59 -0.07 0.00 -0.80 0.00 0.00 55.06 55.59 3imi s HIS 103 Cb -0.80 0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 30.41 3imi s HIS 103 CO 0.42 -0.26 0.11 -0.51 -2.00 0.00 0.00 174.74 172.50 3imi s LEU 104 N -0.46 4.14 -0.14 5.38 1.43 -0.54 -4.58 118.68 123.91 3imi s LEU 104 Ca -0.06 0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.16 3imi s LEU 104 Cb -0.04 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3imi s LEU 104 CO 0.02 0.31 0.48 -1.00 0.23 0.00 0.00 176.35 176.38 3imi s HIS 105 N -0.43 3.47 -0.34 0.29 3.76 0.24 -1.00 115.29 121.28 3imi s HIS 105 Ca 0.11 0.84 -0.07 0.00 -0.15 0.00 0.00 55.06 55.80 3imi s HIS 105 Cb -0.12 -2.57 0.04 0.00 1.11 0.00 0.00 32.58 31.04 3imi s HIS 105 CO 0.02 0.10 0.10 -0.51 -0.85 0.00 0.00 174.74 173.60 3imi s LEU 106 N 0.87 4.29 -0.31 0.89 1.02 0.16 -1.80 118.68 123.81 3imi s LEU 106 Ca 0.25 -1.11 0.03 0.00 0.02 0.00 0.00 54.13 53.31 3imi s LEU 106 Cb -0.15 -1.87 0.08 0.00 0.02 0.00 0.00 46.19 44.27 3imi s LEU 106 CO 0.10 -0.32 -0.01 -0.63 0.02 0.00 0.00 176.35 175.51 3imi s ILE 107 N 1.41 2.38 0.52 -0.59 1.01 0.03 -1.29 121.20 124.67 3imi s ILE 107 Ca -0.01 -1.93 -0.20 0.00 0.00 0.00 0.00 60.65 58.51 3imi s ILE 107 Cb -0.19 -2.56 -0.07 0.00 0.01 0.00 0.00 42.46 39.65 3imi s ILE 107 CO 0.03 -0.31 1.08 -2.16 0.00 0.00 0.00 174.94 173.57 3imi s PRO 108 N 1.04 3.56 -0.03 2.79 0.04 -1.26 -0.58 135.00 140.56 3imi s PRO 108 Ca 0.01 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.58 3imi s PRO 108 Cb -0.20 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3imi s PRO 108 CO -0.06 -0.65 -0.24 1.03 0.04 0.00 0.00 177.00 177.13 3imi s ARG 109 N -3.32 2.22 0.00 4.56 1.81 -0.27 -4.75 118.95 119.20 3imi s ARG 109 Ca 0.69 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 3imi s ARG 109 Cb -0.20 -2.12 0.00 0.00 -0.45 0.00 0.00 34.95 32.19 3imi s ARG 109 CO 0.24 0.56 0.00 0.66 -0.68 0.00 0.00 175.30 176.08 3imi n TYR 110 N 2.45 0.00 -0.10 -0.53 4.01 -1.26 -0.44 117.16 121.29 3imi n TYR 110 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3imi n TYR 110 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3imi n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3imi n GLY 111 N 1.93 0.59 0.39 2.72 0.00 -1.26 -4.73 105.19 104.84 3imi n GLY 111 Ca 0.00 -1.52 0.19 0.00 0.00 0.00 0.00 46.02 44.69 3imi n GLY 111 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3imi h GLU 112 N 0.00 0.46 -0.79 1.61 3.07 -2.01 -2.48 114.58 114.44 3imi h GLU 112 Ca 0.00 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 3imi h GLU 112 Cb 0.00 -0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 27.73 3imi h GLU 112 CO 0.00 0.31 0.17 0.09 -1.40 0.00 0.00 179.01 178.18 3imi n ASN 113 N -4.59 4.23 -4.78 1.42 3.02 -1.26 -4.99 115.26 108.31 3imi n ASN 113 Ca 0.22 -2.87 -0.34 0.00 -0.03 0.00 0.00 54.58 51.55 3imi n ASN 113 Cb 0.72 -0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3imi n ASN 113 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3imi s ASP 114 N -0.63 5.86 0.00 6.41 1.01 -0.94 -4.96 116.67 123.42 3imi s ASP 114 Ca 0.42 2.08 0.29 0.00 0.71 0.00 0.00 52.55 56.04 3imi s ASP 114 Cb 0.33 -2.57 1.42 0.00 1.01 0.00 0.00 42.92 43.11 3imi s ASP 114 CO 0.11 -1.12 1.95 0.61 0.21 0.00 0.00 175.17 176.92 3imi n GLY 115 N -0.07 -0.49 3.23 0.21 0.00 -0.93 -4.76 105.19 102.38 3imi n GLY 115 Ca 0.11 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 3imi n GLY 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3imi s PHE 116 N -1.99 1.80 -0.15 1.61 5.36 -1.26 -4.93 117.98 118.43 3imi s PHE 116 Ca 0.42 -0.36 -0.29 0.00 -0.96 0.00 0.00 56.93 55.74 3imi s PHE 116 Cb 0.21 -1.12 0.08 0.00 -0.34 0.00 0.00 43.02 41.84 3imi s PHE 116 CO 0.34 0.03 0.73 0.20 -1.46 0.00 0.00 175.22 175.05 3imi s GLY 117 N -0.81 -0.53 -0.20 13.12 0.00 -1.26 -5.12 107.32 112.52 3imi s GLY 117 Ca 0.08 1.68 -0.10 0.00 0.00 0.00 0.00 44.72 46.37 3imi s GLY 117 CO 0.00 1.29 0.14 0.00 0.00 0.00 0.00 173.10 174.53 3imi s ALA 118 N -0.55 3.68 -0.19 3.20 0.00 -1.26 -5.05 121.76 121.58 3imi s ALA 118 Ca -0.06 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 50.98 3imi s ALA 118 Cb -0.02 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 3imi s ALA 118 CO 0.06 0.12 0.63 0.08 0.00 0.00 0.00 175.76 176.65 3imi s VAL 119 N 0.44 5.02 -0.07 0.00 1.01 -1.26 -5.04 120.40 120.50 3imi s VAL 119 Ca 0.08 1.20 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 3imi s VAL 119 Cb -0.11 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.34 3imi s VAL 119 CO -0.01 0.11 -0.03 0.86 0.00 0.00 0.00 175.10 176.03 3imi s TRP 120 N 1.89 0.90 -0.05 5.22 -0.11 -1.26 -5.12 118.94 120.41 3imi s TRP 120 Ca 0.29 -0.32 -0.01 0.00 1.22 0.00 0.00 56.10 57.28 3imi s TRP 120 Cb -0.16 -0.88 0.03 0.00 -1.50 0.00 0.00 33.47 30.96 3imi s TRP 120 CO 0.10 -0.34 0.02 0.21 -4.62 0.00 0.00 176.95 172.33 3imi s LYS 121 N 1.62 0.30 0.44 5.86 2.47 -1.26 -5.14 119.74 124.03 3imi s LYS 121 Ca 0.01 0.20 -0.23 0.00 -1.56 0.00 0.00 55.97 54.38 3imi s LYS 121 Cb -0.13 -0.71 -0.08 0.00 -1.46 0.00 0.00 37.83 35.45 3imi s LYS 121 CO -0.04 -0.28 1.14 0.45 0.16 0.00 0.00 175.35 176.77 3imi s SER 122 N 1.86 6.33 -0.12 1.43 0.15 -1.26 -4.95 113.70 117.13 3imi s SER 122 Ca 0.02 2.24 0.17 0.00 0.70 0.00 0.00 55.95 59.08 3imi s SER 122 Cb -0.12 -2.60 0.42 0.00 -1.71 0.00 0.00 66.02 62.01 3imi s SER 122 CO -0.04 -0.80 1.20 1.41 1.20 0.00 0.00 173.24 176.21 3imi n HIS 123 N -0.36 0.00 -0.18 3.44 8.25 -1.26 -4.91 115.22 120.21 3imi n HIS 123 Ca 0.07 -1.09 -0.01 0.00 -0.26 0.00 0.00 57.72 56.42 3imi n HIS 123 Cb 0.48 -0.21 0.08 0.00 1.12 0.00 0.00 29.99 31.47 3imi n HIS 123 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3imi h GLN 124 N 1.00 0.29 0.00 -0.41 4.15 -1.96 -1.85 115.11 116.33 3imi h GLN 124 Ca -0.09 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3imi h GLN 124 Cb 1.37 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.99 3imi h GLN 124 CO 0.04 0.19 0.00 0.09 -1.93 0.00 0.00 178.83 177.22 3imi n ASN 125 N -5.08 0.00 -0.06 -0.69 4.13 -1.26 -2.00 115.26 110.30 3imi n ASN 125 Ca 0.07 -1.22 0.14 0.00 1.68 0.00 0.00 54.58 55.25 3imi n ASN 125 Cb 0.26 0.00 0.65 0.00 -1.54 0.00 0.00 39.78 39.15 3imi n ASN 125 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3imi n GLU 126 N -0.78 0.52 -4.89 3.52 1.02 -0.69 -4.85 120.64 114.48 3imi n GLU 126 Ca 0.11 -0.12 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 3imi n GLU 126 Cb 0.05 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.81 3imi n GLU 126 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3imi s TYR 127 N -2.57 1.84 0.00 -0.32 2.02 -0.85 -5.11 117.35 112.36 3imi s TYR 127 Ca 0.27 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 3imi s TYR 127 Cb 0.20 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 3imi s TYR 127 CO 0.49 -0.20 0.00 0.25 -1.57 0.00 0.00 175.55 174.52 3imi n THR 128 N 3.20 0.00 0.00 -0.71 -2.24 -1.26 -4.93 114.28 108.34 3imi n THR 128 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3imi n THR 128 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3imi n THR 128 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3imi n GLU 130 N 0.00 0.00 -0.15 -0.78 2.13 -1.26 -2.01 120.64 118.58 3imi n GLU 130 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 3imi n GLU 130 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 3imi n GLU 130 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3imi h ASN 131 N 0.00 0.48 -0.57 4.31 -0.26 -1.99 -1.46 115.58 116.09 3imi h ASN 131 Ca 0.00 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 3imi h ASN 131 Cb 0.00 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 3imi h ASN 131 CO 0.00 0.35 0.07 -0.07 -1.06 0.00 0.00 177.43 176.71 3imi h LEU 132 N 0.58 0.94 -0.80 1.61 3.38 -1.76 -1.00 115.31 118.25 3imi h LEU 132 Ca 0.17 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3imi h LEU 132 Cb -0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3imi h LEU 132 CO -0.06 0.98 0.53 1.56 0.09 0.00 0.00 178.44 181.54 3imi h GLN 133 N 0.86 1.06 -0.18 1.13 4.20 -1.78 0.95 115.11 121.36 3imi h GLN 133 Ca 0.17 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 3imi h GLN 133 Cb 0.46 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3imi h GLN 133 CO 0.02 0.71 -0.03 -0.97 -0.67 0.00 0.00 178.83 177.89 3imi h ASN 134 N 1.09 0.34 -0.44 1.46 -1.24 -1.01 -1.50 115.58 114.28 3imi h ASN 134 Ca 0.29 -0.35 0.01 0.00 0.71 0.00 0.00 56.30 56.96 3imi h ASN 134 Cb -0.11 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 3imi h ASN 134 CO -0.06 0.61 0.29 0.40 -1.29 0.00 0.00 177.43 177.37 3imi h ILE 135 N 0.06 1.10 -0.33 2.57 2.04 -0.93 0.17 117.51 122.19 3imi h ILE 135 Ca 0.05 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3imi h ILE 135 Cb 0.45 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3imi h ILE 135 CO 0.02 0.11 0.13 0.00 0.00 0.00 0.00 178.15 178.40 3imi h ALA 136 N 1.17 0.44 -0.16 1.87 0.00 -0.77 -2.05 119.26 119.75 3imi h ALA 136 Ca 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3imi h ALA 136 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3imi h ALA 136 CO -0.04 0.05 -0.43 0.66 0.00 0.00 0.00 179.25 179.48 3imi h SER 137 N 0.39 0.40 -0.62 0.00 4.64 -1.10 0.27 113.55 117.54 3imi h SER 137 Ca 0.11 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3imi h SER 137 Cb 0.20 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 3imi h SER 137 CO -0.01 0.78 0.41 0.74 -0.87 0.00 0.00 176.83 177.88 3imi h THR 138 N 0.31 1.16 -0.08 2.95 2.02 -0.72 0.18 112.91 118.73 3imi h THR 138 Ca 0.02 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3imi h THR 138 Cb 0.88 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3imi h THR 138 CO 0.07 0.15 -0.05 0.40 0.37 0.00 0.00 175.52 176.47 3imi h ILE 139 N 0.84 1.34 -0.44 3.11 2.04 -1.24 -3.15 117.51 119.99 3imi h ILE 139 Ca 0.23 -1.10 0.08 0.00 1.00 0.00 0.00 64.86 65.06 3imi h ILE 139 Cb -0.09 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 3imi h ILE 139 CO -0.05 0.31 0.06 0.00 0.00 0.00 0.00 178.15 178.47 3imi h ALA 140 N 0.61 0.47 0.00 1.87 0.00 -0.71 -0.81 119.26 120.68 3imi h ALA 140 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3imi h ALA 140 Cb 0.51 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3imi h ALA 140 CO 0.01 -0.34 0.00 -0.91 0.00 0.00 0.00 179.25 178.01 3imi h ASN 141 N 0.19 0.00 -0.03 0.00 2.35 -1.00 -2.51 115.58 114.57 3imi h ASN 141 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3imi h ASN 141 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3imi h ASN 141 CO -0.31 0.00 -0.04 -1.20 -1.65 0.00 0.00 177.43 174.23 3imi n SER 142 N -3.04 2.84 -4.68 5.81 7.64 -0.35 -4.92 113.62 116.92 3imi n SER 142 Ca -0.01 -1.93 -0.42 0.00 1.01 0.00 0.00 58.87 57.51 3imi n SER 142 Cb 0.19 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3imi n SER 142 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3imi s VAL 143 N -2.04 3.77 -2.00 0.44 1.01 -0.95 -5.09 120.40 115.55 3imi s VAL 143 Ca 0.28 1.09 0.32 0.00 0.00 0.00 0.00 61.98 63.67 3imi s VAL 143 Cb 0.20 -3.70 0.91 0.00 0.00 0.00 0.00 36.38 33.79 3imi s VAL 143 CO 0.32 -0.04 2.23 0.29 0.00 0.00 0.00 175.10 177.91