#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imi s THR 4 N 0.00 0.66 0.31 1.59 -4.23 -1.26 -5.07 115.64 107.65 3imi s THR 4 Ca 0.00 -1.94 0.10 0.00 -1.18 0.00 0.00 61.69 58.67 3imi s THR 4 Cb 0.00 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.11 3imi s THR 4 CO 0.00 -0.79 1.71 0.00 -0.54 0.00 0.00 174.62 175.00 3imi h ALA 5 N 2.92 1.16 0.00 3.99 0.00 -1.96 -2.52 119.26 122.84 3imi h ALA 5 Ca -0.35 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 3imi h ALA 5 Cb 1.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3imi h ALA 5 CO 0.64 0.61 -0.16 0.22 0.00 0.00 0.00 179.25 180.56 3imi h ASP 6 N 0.06 0.00 -0.01 0.00 3.58 -2.02 -3.09 116.42 114.95 3imi h ASP 6 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3imi h ASP 6 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 3imi h ASP 6 CO 0.07 0.16 -0.08 0.59 -2.88 0.00 0.00 179.24 177.10 3imi n ASN 7 N -3.24 2.40 -4.66 2.28 5.03 -1.12 -4.96 115.26 110.98 3imi n ASN 7 Ca 0.01 -1.75 -0.43 0.00 0.87 0.00 0.00 54.58 53.28 3imi n ASN 7 Cb 0.45 0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 39.26 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 5.43 1.15 -0.26 0.00 3.07 -1.92 -1.99 117.51 122.99 3imi h ILE 9 Ca -0.24 -1.21 -0.14 0.00 1.55 0.00 0.00 64.86 64.82 3imi h ILE 9 Cb 1.09 1.67 -0.01 0.00 -0.27 0.00 0.00 36.82 39.30 3imi h ILE 9 CO 0.96 0.33 -0.43 -0.26 -1.05 0.00 0.00 178.15 177.71 3imi h PHE 10 N 0.00 0.76 -0.41 0.16 0.04 -1.97 -1.78 116.94 113.75 3imi h PHE 10 Ca -0.00 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 3imi h PHE 10 Cb 0.64 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 3imi h PHE 10 CO 0.00 0.96 0.02 0.00 -0.60 0.00 0.00 178.31 178.69 3imi h LYS 12 N 0.61 0.96 -0.23 0.00 1.79 -1.11 -0.50 116.57 118.08 3imi h LYS 12 Ca 0.13 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3imi h LYS 12 Cb 0.35 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 3imi h LYS 12 CO 0.01 0.86 0.10 0.82 -1.08 0.00 0.00 179.45 180.16 3imi h ILE 13 N 0.88 1.15 -0.80 1.86 2.04 -1.02 0.18 117.51 121.79 3imi h ILE 13 Ca 0.20 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.66 3imi h ILE 13 Cb 0.31 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3imi h ILE 13 CO -0.00 0.15 0.50 0.40 0.00 0.00 0.00 178.15 179.19 3imi h ILE 14 N 0.22 1.06 -0.00 -0.67 2.04 -0.95 -1.35 117.51 117.86 3imi h ILE 14 Ca 0.08 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3imi h ILE 14 Cb 0.15 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3imi h ILE 14 CO -0.01 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.78 3imi n ASP 15 N -4.64 0.35 -0.24 1.72 8.00 -0.21 -4.93 116.55 116.60 3imi n ASP 15 Ca 0.11 -1.13 -0.03 0.00 0.71 0.00 0.00 54.79 54.45 3imi n ASP 15 Cb 0.14 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 3imi n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3imi n GLY 16 N 1.04 0.55 0.01 0.44 0.00 -0.22 -4.92 105.19 102.09 3imi n GLY 16 Ca 0.23 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.44 3imi n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3imi n GLN 17 N -2.66 0.03 -3.90 1.61 6.02 0.45 -4.86 117.38 114.07 3imi n GLN 17 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.86 3imi n GLN 17 Cb 0.16 -1.52 -0.12 0.00 1.02 0.00 0.00 30.24 29.79 3imi n GLN 17 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3imi s ILE 18 N -3.02 0.05 0.50 5.09 1.01 -1.21 -4.96 121.20 118.66 3imi s ILE 18 Ca 0.10 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 3imi s ILE 18 Cb 0.17 -0.19 -0.07 0.00 0.01 0.00 0.00 42.46 42.38 3imi s ILE 18 CO 0.73 -0.23 0.94 -0.76 0.00 0.00 0.00 174.94 175.62 3imi s LEU 19 N -0.69 3.62 0.14 2.97 1.43 -1.26 -4.37 118.68 120.52 3imi s LEU 19 Ca -0.08 1.44 -0.09 0.00 -1.03 0.00 0.00 54.13 54.37 3imi s LEU 19 Cb -0.05 -4.38 -0.00 0.00 0.03 0.00 0.00 46.19 41.79 3imi s LEU 19 CO -0.00 -0.58 0.27 0.00 0.23 0.00 0.00 176.35 176.26 3imi s SER 21 N -2.93 6.72 0.25 0.00 0.01 -1.26 -5.03 113.70 111.46 3imi s SER 21 Ca 0.13 -2.48 -0.30 0.00 1.31 0.00 0.00 55.95 54.62 3imi s SER 21 Cb 0.04 -2.27 -0.09 0.00 0.21 0.00 0.00 66.02 63.90 3imi s SER 21 CO -0.04 -0.73 1.26 -0.54 0.41 0.00 0.00 173.24 173.60 3imi s LYS 22 N 0.98 4.44 -0.08 12.44 1.02 -1.26 -1.51 119.74 135.76 3imi s LYS 22 Ca 0.22 2.03 0.07 0.00 0.02 0.00 0.00 55.97 58.32 3imi s LYS 22 Cb -0.09 -3.16 -0.10 0.00 -0.52 0.00 0.00 37.83 33.96 3imi s LYS 22 CO -0.09 -0.12 0.02 0.28 -0.92 0.00 0.00 175.35 174.52 3imi n VAL 23 N 1.79 0.57 -3.57 3.17 0.31 0.25 -4.92 118.33 115.93 3imi n VAL 23 Ca 0.03 -0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 63.89 3imi n VAL 23 Cb 0.43 -0.79 -0.06 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.20 -0.47 -0.19 3.52 5.04 -1.08 -4.99 117.35 116.98 3imi s TYR 24 Ca -0.05 0.85 -0.21 0.00 -2.44 0.00 0.00 57.07 55.22 3imi s TYR 24 Cb 0.03 0.43 0.06 0.00 0.35 0.00 0.00 41.96 42.82 3imi s TYR 24 CO 0.33 -0.40 0.57 -2.00 -1.34 0.00 0.00 175.55 172.71 3imi s GLU 25 N -0.96 0.72 0.00 4.97 2.12 -1.26 -0.22 118.70 124.07 3imi s GLU 25 Ca -0.04 0.68 0.00 0.00 0.36 0.00 0.00 54.97 55.98 3imi s GLU 25 Cb -0.01 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.73 3imi s GLU 25 CO 0.03 -0.11 0.00 -0.40 -0.54 0.00 0.00 175.26 174.24 3imi n ASP 26 N 2.47 0.13 0.10 -1.70 5.68 -0.30 -5.01 116.55 117.91 3imi n ASP 26 Ca -0.15 -0.92 0.13 0.00 -0.50 0.00 0.00 54.79 53.35 3imi n ASP 26 Cb 0.56 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.17 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 0.08 0.00 0.11 4.81 -2.03 -3.27 114.58 114.29 3imi h GLU 27 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3imi h GLU 27 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3imi h GLU 27 CO 0.00 0.05 -1.32 0.72 -0.73 0.00 0.00 179.01 177.73 3imi n HIS 28 N -4.46 0.00 -4.01 0.92 8.25 -1.26 -4.89 115.22 109.77 3imi n HIS 28 Ca 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.42 3imi n HIS 28 Cb 0.33 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.14 3imi n HIS 28 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3imi s VAL 29 N -2.57 0.14 -0.03 1.59 1.01 -1.23 -1.00 120.40 118.31 3imi s VAL 29 Ca -0.03 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.79 3imi s VAL 29 Cb 0.06 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.79 3imi s VAL 29 CO 0.40 -0.66 -0.09 -0.22 0.00 0.00 0.00 175.10 174.54 3imi s LEU 30 N -1.92 1.73 -0.04 3.92 2.96 -0.48 -1.15 118.68 123.70 3imi s LEU 30 Ca -0.09 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 3imi s LEU 30 Cb -0.04 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 3imi s LEU 30 CO -0.04 0.05 -0.18 0.00 -1.32 0.00 0.00 176.35 174.86 3imi s ALA 31 N 0.30 1.57 0.13 5.97 0.00 0.70 -1.11 121.76 129.31 3imi s ALA 31 Ca -0.05 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 3imi s ALA 31 Cb -0.10 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.57 3imi s ALA 31 CO 0.01 0.31 0.39 -0.59 0.00 0.00 0.00 175.76 175.88 3imi s PHE 32 N -0.08 -0.15 0.41 0.00 -0.12 -0.62 -0.59 117.98 116.84 3imi s PHE 32 Ca -0.01 -0.18 -0.25 0.00 -0.05 0.00 0.00 56.93 56.43 3imi s PHE 32 Cb -0.11 0.24 -0.08 0.00 -0.63 0.00 0.00 43.02 42.44 3imi s PHE 32 CO 0.02 -0.71 1.23 -0.51 -0.05 0.00 0.00 175.22 175.19 3imi s LEU 33 N -2.82 4.18 -0.12 -1.99 1.43 -0.57 -0.04 118.68 118.75 3imi s LEU 33 Ca 0.04 2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 55.33 3imi s LEU 33 Cb 0.02 -3.99 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 3imi s LEU 33 CO -0.11 -0.78 0.97 -0.62 0.23 0.00 0.00 176.35 176.04 3imi s ASP 34 N -0.98 7.18 0.35 2.29 -1.08 -0.46 -4.71 116.67 119.25 3imi s ASP 34 Ca 0.58 1.45 0.26 0.00 -0.52 0.00 0.00 52.55 54.31 3imi s ASP 34 Cb -0.34 -2.53 1.21 0.00 -1.46 0.00 0.00 42.92 39.80 3imi s ASP 34 CO 0.43 -0.43 1.78 0.16 0.52 0.00 0.00 175.17 177.62 3imi h ILE 35 N 5.11 0.00 0.00 4.11 3.07 -1.93 -1.29 117.51 126.59 3imi h ILE 35 Ca -0.31 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 65.94 3imi h ILE 35 Cb 1.14 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 3imi h ILE 35 CO 0.85 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 176.41 3imi n SER 36 N -2.41 0.67 -3.78 2.16 3.41 -1.26 -4.94 113.62 107.48 3imi n SER 36 Ca 0.00 0.59 -0.28 0.00 -0.26 0.00 0.00 58.87 58.92 3imi n SER 36 Cb 0.16 -0.76 0.01 0.00 -0.26 0.00 0.00 64.21 63.35 3imi n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3imi n GLN 37 N -2.16 -0.71 0.13 4.33 1.13 -0.49 -4.74 117.38 114.87 3imi n GLN 37 Ca 0.05 0.16 0.15 0.00 -1.94 0.00 0.00 57.00 55.42 3imi n GLN 37 Cb 0.36 -1.58 0.70 0.00 0.11 0.00 0.00 30.24 29.82 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 -0.68 0.79 -4.04 5.09 -1.51 -1.90 -3.40 116.25 110.60 3imi h VAL 38 Ca -0.51 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 64.85 3imi h VAL 38 Cb 1.04 0.86 -0.15 0.00 -2.13 0.00 0.00 31.29 30.91 3imi h VAL 38 CO 0.34 0.00 -0.56 0.42 -1.23 0.00 0.00 177.57 176.54 3imi s THR 39 N -4.97 0.18 -0.06 7.19 -4.23 -1.26 -1.02 115.64 111.47 3imi s THR 39 Ca -0.05 -1.50 -0.29 0.00 -1.18 0.00 0.00 61.69 58.66 3imi s THR 39 Cb 0.18 -1.36 -0.07 0.00 1.34 0.00 0.00 72.50 72.59 3imi s THR 39 CO 0.68 -0.83 1.92 -0.75 -0.54 0.00 0.00 174.62 175.10 3imi s LYS 40 N -3.69 3.90 0.00 3.99 2.20 -1.26 -2.02 119.74 122.87 3imi s LYS 40 Ca 0.04 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 3imi s LYS 40 Cb 0.05 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 3imi s LYS 40 CO -0.09 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.10 3imi n GLY 41 N 4.73 0.70 3.70 5.54 0.00 -1.26 -4.76 105.19 113.83 3imi n GLY 41 Ca 0.21 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.04 2.17 -4.40 1.61 -0.00 -0.85 -4.79 115.22 106.90 3imi n HIS 42 Ca 0.00 0.30 -0.21 0.00 -0.00 0.00 0.00 57.72 57.80 3imi n HIS 42 Cb 0.00 -2.55 -0.13 0.00 -0.00 0.00 0.00 29.99 27.31 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 3.66 1.27 -0.09 3.57 2.01 -0.45 -1.35 115.64 124.26 3imi s THR 43 Ca 0.95 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 3imi s THR 43 Cb -0.90 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 3imi s THR 43 CO 0.59 0.03 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.77 3imi s LEU 44 N -1.24 3.49 -0.15 4.42 1.43 0.94 0.05 118.68 127.62 3imi s LEU 44 Ca 0.03 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 3imi s LEU 44 Cb -0.08 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 3imi s LEU 44 CO 0.02 0.35 -0.15 -0.69 0.23 0.00 0.00 176.35 176.11 3imi s VAL 45 N -0.72 2.73 0.03 -1.59 1.01 -0.44 -1.59 120.40 119.83 3imi s VAL 45 Ca 0.11 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3imi s VAL 45 Cb -0.12 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3imi s VAL 45 CO 0.02 0.51 -0.07 0.27 0.00 0.00 0.00 175.10 175.83 3imi s ILE 46 N 0.74 0.53 0.46 2.22 -4.36 -0.27 -1.60 121.20 118.92 3imi s ILE 46 Ca -0.06 -0.85 -0.22 0.00 -0.26 0.00 0.00 60.65 59.26 3imi s ILE 46 Cb -0.15 -0.55 -0.08 0.00 1.25 0.00 0.00 42.46 42.92 3imi s ILE 46 CO 0.01 -0.23 1.08 -2.16 0.24 0.00 0.00 174.94 173.87 3imi s PRO 47 N -1.17 3.85 0.46 0.37 0.04 -1.26 -1.38 135.00 135.91 3imi s PRO 47 Ca -0.06 1.52 0.26 0.00 0.04 0.00 0.00 61.00 62.76 3imi s PRO 47 Cb -0.08 -2.29 0.91 0.00 0.04 0.00 0.00 34.50 33.09 3imi s PRO 47 CO 0.00 -0.41 1.81 0.87 0.04 0.00 0.00 177.00 179.32 3imi h LYS 48 N 1.91 0.00 -6.36 4.56 1.57 -1.40 -3.43 116.57 113.42 3imi h LYS 48 Ca -0.49 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.74 3imi h LYS 48 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3imi h LYS 48 CO 0.60 0.15 0.10 0.08 -0.57 0.00 0.00 179.45 179.81 3imi s VAL 49 N -3.54 4.59 -0.36 0.50 1.01 -1.26 -5.00 120.40 116.34 3imi s VAL 49 Ca 0.02 1.51 -0.29 0.00 0.00 0.00 0.00 61.98 63.22 3imi s VAL 49 Cb 0.09 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3imi s VAL 49 CO 0.62 0.49 1.45 -2.28 0.00 0.00 0.00 175.10 175.38 3imi s HIS 50 N -0.82 2.37 -0.06 5.22 2.46 -1.26 -4.95 115.29 118.25 3imi s HIS 50 Ca 0.34 0.70 0.02 0.00 0.47 0.00 0.00 55.06 56.59 3imi s HIS 50 Cb -0.21 -4.16 0.01 0.00 -0.13 0.00 0.00 32.58 28.09 3imi s HIS 50 CO 0.23 -2.13 -0.11 0.15 -2.47 0.00 0.00 174.74 170.40 3imi s LYS 51 N 4.81 1.51 0.21 2.88 -0.14 -1.26 -5.06 119.74 122.69 3imi s LYS 51 Ca 0.63 -0.38 -0.05 0.00 -1.36 0.00 0.00 55.97 54.81 3imi s LYS 51 Cb -0.16 -1.28 0.18 0.00 -1.68 0.00 0.00 37.83 34.89 3imi s LYS 51 CO 0.30 0.05 1.67 0.37 -0.76 0.00 0.00 175.35 176.98 3imi h GLN 52 N 6.85 0.89 0.00 1.68 4.15 -1.93 0.42 115.11 127.18 3imi h GLN 52 Ca -0.32 -0.30 0.01 0.00 0.77 0.00 0.00 58.65 58.81 3imi h GLN 52 Cb 1.18 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 3imi h GLN 52 CO 0.48 0.94 0.21 -0.40 -1.93 0.00 0.00 178.83 178.12 3imi n ASP 53 N -4.16 -1.19 -0.22 -0.69 5.68 -1.26 -2.88 116.55 111.82 3imi n ASP 53 Ca 0.02 -1.78 0.06 0.00 -0.50 0.00 0.00 54.79 52.59 3imi n ASP 53 Cb 0.37 1.98 0.32 0.00 -1.14 0.00 0.00 41.12 42.64 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 1.55 1.03 0.00 2.12 6.09 -1.93 -2.05 117.51 124.32 3imi h ILE 54 Ca -0.18 -0.28 -0.03 0.00 -1.37 0.00 0.00 64.86 63.00 3imi h ILE 54 Cb 0.68 0.13 -0.00 0.00 0.47 0.00 0.00 36.82 38.10 3imi h ILE 54 CO 0.23 0.15 -0.13 -0.26 -3.07 0.00 0.00 178.15 175.07 3imi h PHE 55 N 0.83 0.00 -0.01 2.19 0.04 -2.00 -2.61 116.94 115.37 3imi h PHE 55 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 3imi h PHE 55 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 3imi h PHE 55 CO -0.00 0.13 -0.38 0.00 -0.60 0.00 0.00 178.31 177.46 3imi n ALA 56 N -2.19 3.35 -1.77 2.45 0.00 -0.77 -4.93 120.51 116.63 3imi n ALA 56 Ca -0.00 -0.49 -0.37 0.00 0.00 0.00 0.00 53.44 52.57 3imi n ALA 56 Cb 0.33 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.55 4.11 0.42 0.00 1.43 -0.99 -4.94 118.68 116.16 3imi s LEU 57 Ca 0.21 2.26 0.01 0.00 -1.03 0.00 0.00 54.13 55.58 3imi s LEU 57 Cb 0.19 -4.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.25 3imi s LEU 57 CO 0.56 -0.73 0.62 0.42 0.23 0.00 0.00 176.35 177.46 3imi s THR 58 N -1.52 4.14 0.32 5.49 -4.23 -1.26 -4.93 115.64 113.65 3imi s THR 58 Ca 0.60 -0.58 -0.00 0.00 -1.18 0.00 0.00 61.69 60.52 3imi s THR 58 Cb -0.28 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.31 3imi s THR 58 CO 0.34 -0.33 1.98 -0.65 -0.54 0.00 0.00 174.62 175.43 3imi h PRO 59 N 0.53 0.98 -0.28 3.99 0.11 -1.99 -1.13 132.00 134.21 3imi h PRO 59 Ca -0.47 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3imi h PRO 59 Cb 1.25 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3imi h PRO 59 CO 0.57 0.65 -0.33 1.05 -0.21 0.00 0.00 178.00 179.73 3imi h GLU 60 N 1.01 0.60 -0.21 1.05 4.11 -1.99 -0.76 114.58 118.39 3imi h GLU 60 Ca 0.28 -0.27 -0.13 0.00 0.07 0.00 0.00 59.36 59.31 3imi h GLU 60 Cb -0.10 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3imi h GLU 60 CO -0.06 0.85 -0.36 0.82 0.07 0.00 0.00 179.01 180.33 3imi h ILE 61 N 0.51 1.33 -0.67 -1.06 2.04 -1.89 -1.77 117.51 115.99 3imi h ILE 61 Ca 0.06 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.40 3imi h ILE 61 Cb 0.81 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 3imi h ILE 61 CO 0.07 0.49 0.38 0.00 0.00 0.00 0.00 178.15 179.09 3imi h ALA 62 N 0.62 0.90 -0.59 1.87 0.00 -1.11 -1.54 119.26 119.40 3imi h ALA 62 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3imi h ALA 62 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3imi h ALA 62 CO 0.08 0.08 0.01 0.66 0.00 0.00 0.00 179.25 180.08 3imi h SER 63 N 0.72 1.00 -0.77 0.00 4.64 -0.99 -2.13 113.55 116.01 3imi h SER 63 Ca 0.29 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3imi h SER 63 Cb 0.15 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.94 3imi h SER 63 CO -0.17 1.04 0.47 0.45 -0.87 0.00 0.00 176.83 177.76 3imi h HIS 64 N 0.94 1.01 0.26 4.77 -0.00 -0.61 -1.70 115.15 119.81 3imi h HIS 64 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 3imi h HIS 64 Cb 0.52 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 3imi h HIS 64 CO 0.04 0.67 -0.12 0.82 -0.00 0.00 0.00 177.93 179.34 3imi h ILE 65 N 1.06 0.77 0.00 2.45 2.04 -1.09 -3.28 117.51 119.46 3imi h ILE 65 Ca 0.28 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 3imi h ILE 65 Cb -0.05 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3imi h ILE 65 CO -0.05 0.04 -0.24 0.15 0.00 0.00 0.00 178.15 178.05 3imi h PHE 66 N -0.43 0.00 -0.01 1.37 3.57 -1.24 -3.16 116.94 117.05 3imi h PHE 66 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3imi h PHE 66 Cb 0.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3imi h PHE 66 CO -0.04 0.24 0.01 0.77 -2.23 0.00 0.00 178.31 177.06 3imi h SER 67 N 0.00 0.00 -0.01 0.41 0.02 -1.37 -2.06 113.55 110.54 3imi h SER 67 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3imi h SER 67 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3imi h SER 67 CO 0.03 0.00 -0.24 1.33 -1.14 0.00 0.00 176.83 176.81 3imi n VAL 68 N -3.49 0.00 -0.11 2.27 0.24 -1.19 -4.61 118.33 111.45 3imi n VAL 68 Ca -0.03 -0.38 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 3imi n VAL 68 Cb 0.09 1.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.67 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 2.25 1.24 -0.68 3.34 2.07 -1.47 -2.42 116.25 120.58 3imi h VAL 69 Ca 0.00 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3imi h VAL 69 Cb 0.60 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3imi h VAL 69 CO 0.00 0.28 0.28 -0.65 0.02 0.00 0.00 177.57 177.50 3imi h PRO 70 N 0.36 1.00 -0.02 1.57 0.11 -1.82 0.76 132.00 133.95 3imi h PRO 70 Ca 0.10 -0.16 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 3imi h PRO 70 Cb 0.38 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3imi h PRO 70 CO 0.01 0.81 -0.55 1.57 -0.21 0.00 0.00 178.00 179.63 3imi h LYS 71 N 0.98 0.06 -0.09 1.05 2.10 -1.82 0.19 116.57 119.04 3imi h LYS 71 Ca 0.23 -0.04 -0.12 0.00 -2.00 0.00 0.00 60.65 58.72 3imi h LYS 71 Cb 0.18 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.52 3imi h LYS 71 CO -0.02 0.60 -0.41 0.82 -2.00 0.00 0.00 179.45 178.43 3imi h ILE 72 N 0.05 1.39 -0.61 0.07 2.04 -0.96 -2.24 117.51 117.24 3imi h ILE 72 Ca -0.00 -1.77 0.04 0.00 1.00 0.00 0.00 64.86 64.13 3imi h ILE 72 Cb 0.98 2.23 -0.05 0.00 -0.74 0.00 0.00 36.82 39.25 3imi h ILE 72 CO 0.07 0.52 0.35 0.00 0.00 0.00 0.00 178.15 179.10 3imi h ALA 73 N 0.46 0.81 -0.74 1.87 0.00 -0.71 -1.70 119.26 119.25 3imi h ALA 73 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3imi h ALA 73 Cb 1.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3imi h ALA 73 CO 0.09 0.05 0.44 -0.91 0.00 0.00 0.00 179.25 178.92 3imi h ASN 74 N 0.68 0.89 -0.29 0.00 2.35 -0.95 -0.85 115.58 117.40 3imi h ASN 74 Ca 0.26 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 3imi h ASN 74 Cb 0.10 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3imi h ASN 74 CO -0.14 0.69 0.01 0.00 -1.65 0.00 0.00 177.43 176.34 3imi h ALA 75 N 1.46 0.39 -0.47 -0.83 0.00 -0.75 -0.03 119.26 119.03 3imi h ALA 75 Ca 0.27 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3imi h ALA 75 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3imi h ALA 75 CO -0.05 0.13 0.30 0.82 0.00 0.00 0.00 179.25 180.45 3imi h ILE 76 N 0.31 1.09 -0.65 0.00 2.04 -1.15 -1.62 117.51 117.53 3imi h ILE 76 Ca 0.08 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3imi h ILE 76 Cb 0.41 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3imi h ILE 76 CO 0.01 0.11 0.23 0.50 0.00 0.00 0.00 178.15 179.00 3imi h LYS 77 N 0.61 1.00 -0.32 2.37 3.64 -1.01 -1.26 116.57 121.59 3imi h LYS 77 Ca 0.18 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 3imi h LYS 77 Cb -0.04 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3imi h LYS 77 CO -0.06 0.86 -0.16 0.00 -2.27 0.00 0.00 179.45 177.82 3imi h ALA 78 N 1.09 1.12 0.20 5.00 0.00 -0.70 -1.27 119.26 124.70 3imi h ALA 78 Ca 0.21 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 3imi h ALA 78 Cb 0.26 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3imi h ALA 78 CO -0.01 0.55 -1.58 0.93 0.00 0.00 0.00 179.25 179.14 3imi h GLU 79 N 0.52 0.42 -0.01 0.00 4.39 -1.13 -3.40 114.58 115.37 3imi h GLU 79 Ca 0.09 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 59.07 3imi h GLU 79 Cb 0.58 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3imi h GLU 79 CO 0.04 1.33 -0.02 1.19 -1.16 0.00 0.00 179.01 180.39 3imi n PHE 80 N -3.61 0.00 -3.87 4.33 3.72 -0.49 -5.03 117.46 112.51 3imi n PHE 80 Ca -0.19 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.93 3imi n PHE 80 Cb 1.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.62 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 0.44 -1.92 -4.76 4.37 5.15 -0.48 -4.94 115.26 113.12 3imi n ASN 81 Ca 0.05 -1.01 -0.31 0.00 -0.60 0.00 0.00 54.58 52.71 3imi n ASN 81 Cb 0.23 -3.14 0.10 0.00 -0.53 0.00 0.00 39.78 36.43 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 -6.40 2.14 0.24 1.20 0.04 -1.26 -4.94 135.00 126.02 3imi s PRO 82 Ca 0.16 1.18 0.24 0.00 0.04 0.00 0.00 61.00 62.62 3imi s PRO 82 Cb -0.06 -1.88 0.43 0.00 0.04 0.00 0.00 34.50 33.03 3imi s PRO 82 CO 0.88 -1.73 1.49 -0.39 0.04 0.00 0.00 177.00 177.29 3imi h VAL 83 N -1.19 0.00 -1.93 -0.36 -1.51 -0.67 -3.48 116.25 107.10 3imi h VAL 83 Ca -0.44 -0.69 0.02 0.00 -1.23 0.00 0.00 66.70 64.37 3imi h VAL 83 Cb 1.23 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 31.88 3imi h VAL 83 CO 0.51 0.00 0.10 0.61 -1.23 0.00 0.00 177.57 177.56 3imi n GLY 84 N 1.25 1.38 3.63 5.19 0.00 -1.04 -5.00 105.19 110.59 3imi n GLY 84 Ca 0.04 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -6.03 -0.71 0.09 1.61 5.36 -1.26 -1.07 117.98 115.97 3imi s PHE 85 Ca 0.04 1.72 0.07 0.00 -0.96 0.00 0.00 56.93 57.79 3imi s PHE 85 Cb -0.01 0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 3imi s PHE 85 CO 0.02 -0.34 -0.17 -0.80 -1.46 0.00 0.00 175.22 172.47 3imi s ASN 86 N 0.37 2.08 -0.07 6.13 -0.87 0.19 -4.96 114.94 117.81 3imi s ASN 86 Ca 0.01 -0.67 0.03 0.00 -1.57 0.00 0.00 52.86 50.65 3imi s ASN 86 Cb -0.05 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.25 41.07 3imi s ASN 86 CO -0.01 -0.03 -0.14 -0.76 -2.57 0.00 0.00 177.10 173.58 3imi s LEU 87 N -1.91 2.72 -0.02 0.60 1.43 -1.26 -0.23 118.68 120.02 3imi s LEU 87 Ca 0.03 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3imi s LEU 87 Cb -0.09 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3imi s LEU 87 CO 0.03 0.31 0.06 -0.22 0.23 0.00 0.00 176.35 176.75 3imi s LEU 88 N -0.49 1.79 -0.03 1.79 2.96 -0.79 -4.98 118.68 118.93 3imi s LEU 88 Ca 0.06 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3imi s LEU 88 Cb -0.12 0.21 0.03 0.00 0.50 0.00 0.00 46.19 46.81 3imi s LEU 88 CO 0.02 -0.04 0.06 0.21 -1.32 0.00 0.00 176.35 175.27 3imi s ASN 89 N -0.07 0.01 -0.14 3.68 3.84 -1.26 -0.71 114.94 120.29 3imi s ASN 89 Ca -0.01 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.17 3imi s ASN 89 Cb -0.01 0.01 -0.01 0.00 -0.55 0.00 0.00 41.25 40.69 3imi s ASN 89 CO 0.00 -0.11 -0.14 0.20 -2.79 0.00 0.00 177.10 174.25 3imi s ASN 90 N 0.93 3.83 -0.16 -4.21 0.01 -1.26 -5.09 114.94 108.99 3imi s ASN 90 Ca -0.08 -0.39 -0.00 0.00 -0.71 0.00 0.00 52.86 51.68 3imi s ASN 90 Cb -0.11 -1.58 0.04 0.00 0.41 0.00 0.00 41.25 40.01 3imi s ASN 90 CO -0.03 0.14 -0.06 0.20 -1.51 0.00 0.00 177.10 175.84 3imi s ASN 91 N 0.51 2.72 0.00 -1.22 0.01 -1.26 -4.49 114.94 111.20 3imi s ASN 91 Ca -0.10 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.45 3imi s ASN 91 Cb -0.16 -0.90 0.00 0.00 0.41 0.00 0.00 41.25 40.60 3imi s ASN 91 CO 0.04 -0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 3imi n GLY 92 N 4.89 0.86 0.31 0.66 0.00 -1.26 -4.32 105.19 106.33 3imi n GLY 92 Ca -0.12 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.49 3imi n GLY 92 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3imi h GLU 93 N 0.00 0.37 0.00 1.61 -0.00 -1.94 0.75 114.58 115.38 3imi h GLU 93 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3imi h GLU 93 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 3imi h GLU 93 CO 0.00 0.25 0.00 1.63 -0.00 0.00 0.00 179.01 180.89 3imi n LYS 94 N -4.48 0.20 -0.36 1.06 4.76 -1.26 -1.91 118.16 116.17 3imi n LYS 94 Ca 0.04 0.40 0.08 0.00 -2.87 0.00 0.00 58.31 55.96 3imi n LYS 94 Cb 0.17 -1.87 0.25 0.00 -1.84 0.00 0.00 35.03 31.74 3imi n LYS 94 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3imi n ALA 95 N -1.78 2.55 -0.11 7.82 0.00 0.16 -4.96 120.51 124.18 3imi n ALA 95 Ca 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 52.01 3imi n ALA 95 Cb 0.25 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.73 0.73 3.71 0.00 0.00 -0.80 -4.49 105.19 105.07 3imi n GLY 96 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.89 4.43 0.00 1.61 0.74 -0.59 -4.88 119.66 120.09 3imi s GLN 97 Ca 0.00 1.71 0.00 0.00 0.05 0.00 0.00 55.36 57.12 3imi s GLN 97 Cb 0.00 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.71 3imi s GLN 97 CO 0.00 -0.27 0.00 0.25 -0.55 0.00 0.00 175.29 174.72 3imi n THR 98 N 4.05 0.00 -4.24 -0.34 -2.24 -1.26 -4.11 114.28 106.14 3imi n THR 98 Ca 0.09 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 3imi n THR 98 Cb 0.47 -0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.87 3.00 -0.87 2.28 1.01 -1.26 -5.03 120.40 117.66 3imi s VAL 99 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3imi s VAL 99 Cb 0.00 -2.31 0.16 0.00 0.00 0.00 0.00 36.38 34.23 3imi s VAL 99 CO 0.00 0.48 2.40 0.49 0.00 0.00 0.00 175.10 178.47 3imi n PHE 100 N 4.34 2.29 -3.72 5.22 3.72 -1.26 -4.73 117.46 123.32 3imi n PHE 100 Ca -0.19 -2.36 -0.17 0.00 -0.05 0.00 0.00 57.45 54.68 3imi n PHE 100 Cb 0.51 -1.47 -0.16 0.00 -0.94 0.00 0.00 39.48 37.42 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 -2.28 -0.02 0.18 1.38 2.46 -1.22 -4.34 115.29 111.45 3imi s HIS 101 Ca 0.54 0.29 -0.33 0.00 0.47 0.00 0.00 55.06 56.03 3imi s HIS 101 Cb 0.30 -0.29 -0.15 0.00 -0.13 0.00 0.00 32.58 32.31 3imi s HIS 101 CO -0.20 -0.16 1.32 0.34 -2.47 0.00 0.00 174.74 173.57 3imi n PHE 102 N 4.68 1.72 -3.59 3.88 7.35 0.15 -4.90 117.46 126.76 3imi n PHE 102 Ca -0.17 0.55 -0.16 0.00 -0.76 0.00 0.00 57.45 56.90 3imi n PHE 102 Cb 0.50 -2.38 -0.07 0.00 0.35 0.00 0.00 39.48 37.89 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 0.08 -0.63 -0.15 -5.13 -3.43 -1.26 -4.26 115.29 100.51 3imi s HIS 103 Ca 0.74 1.25 -0.08 0.00 -0.80 0.00 0.00 55.06 56.17 3imi s HIS 103 Cb -0.78 0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 30.65 3imi s HIS 103 CO 0.49 -0.50 0.11 -0.51 -2.00 0.00 0.00 174.74 172.33 3imi s LEU 104 N -0.71 4.17 -0.15 5.38 1.43 -0.63 -4.58 118.68 123.59 3imi s LEU 104 Ca -0.08 0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 3imi s LEU 104 Cb -0.02 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3imi s LEU 104 CO 0.06 0.30 0.63 -1.00 0.23 0.00 0.00 176.35 176.57 3imi s HIS 105 N -0.35 3.44 -0.34 0.29 3.76 0.11 -1.33 115.29 120.88 3imi s HIS 105 Ca 0.11 1.01 -0.10 0.00 -0.15 0.00 0.00 55.06 55.93 3imi s HIS 105 Cb -0.12 -2.77 0.01 0.00 1.11 0.00 0.00 32.58 30.81 3imi s HIS 105 CO 0.01 -0.06 0.17 -0.51 -0.85 0.00 0.00 174.74 173.50 3imi s LEU 106 N 1.47 4.35 -0.34 0.89 1.02 0.11 -1.88 118.68 124.29 3imi s LEU 106 Ca 0.31 -0.73 0.04 0.00 0.02 0.00 0.00 54.13 53.76 3imi s LEU 106 Cb -0.16 -2.00 0.10 0.00 0.02 0.00 0.00 46.19 44.14 3imi s LEU 106 CO 0.12 -0.27 0.05 -0.63 0.02 0.00 0.00 176.35 175.64 3imi s ILE 107 N 1.58 2.21 0.62 -0.59 1.01 0.68 -1.34 121.20 125.38 3imi s ILE 107 Ca 0.03 -2.29 -0.17 0.00 0.00 0.00 0.00 60.65 58.22 3imi s ILE 107 Cb -0.18 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3imi s ILE 107 CO 0.06 -0.59 1.17 -2.16 0.00 0.00 0.00 174.94 173.42 3imi s PRO 108 N 0.94 2.87 -0.06 2.79 0.04 -1.26 -0.64 135.00 139.68 3imi s PRO 108 Ca 0.11 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.87 3imi s PRO 108 Cb -0.19 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3imi s PRO 108 CO -0.09 -1.24 -0.24 1.03 0.04 0.00 0.00 177.00 176.50 3imi s ARG 109 N -3.60 2.53 0.00 4.56 1.81 -0.24 -4.74 118.95 119.27 3imi s ARG 109 Ca 0.73 -0.86 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 3imi s ARG 109 Cb -0.26 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 3imi s ARG 109 CO 0.36 0.33 0.00 0.66 -0.68 0.00 0.00 175.30 175.97 3imi n TYR 110 N 3.06 0.00 -0.74 -0.53 4.01 -1.26 0.04 117.16 121.74 3imi n TYR 110 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3imi n TYR 110 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 2.58 0.22 0.35 2.72 0.00 -1.26 -4.70 105.19 105.10 3imi n GLY 111 Ca 0.00 -1.34 0.18 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -0.02 1.61 5.08 -2.01 -1.87 114.58 117.37 3imi h GLU 112 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3imi h GLU 112 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3imi h GLU 112 CO 0.00 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.30 3imi n ASN 113 N -4.12 0.69 -4.70 1.42 5.15 -1.26 -4.92 115.26 107.51 3imi n ASN 113 Ca 0.05 -1.31 -0.44 0.00 -0.60 0.00 0.00 54.58 52.28 3imi n ASN 113 Cb 0.45 -0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.66 3imi n ASN 113 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3imi n ASP 114 N -0.43 3.20 -1.11 1.20 8.00 -0.70 -4.89 116.55 121.82 3imi n ASP 114 Ca 0.20 1.14 0.04 0.00 0.71 0.00 0.00 54.79 56.88 3imi n ASP 114 Cb 0.21 -1.49 0.21 0.00 -0.02 0.00 0.00 41.12 40.02 3imi n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3imi n GLY 115 N 2.28 1.90 3.04 0.44 0.00 -0.19 -4.78 105.19 107.88 3imi n GLY 115 Ca 0.11 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.81 1.08 0.14 1.61 5.36 -1.26 -4.89 117.98 118.21 3imi s PHE 116 Ca 0.29 -0.26 -0.17 0.00 -0.96 0.00 0.00 56.93 55.83 3imi s PHE 116 Cb 0.20 -0.74 0.04 0.00 -0.34 0.00 0.00 43.02 42.17 3imi s PHE 116 CO 0.11 -0.08 0.44 0.20 -1.46 0.00 0.00 175.22 174.43 3imi s GLY 117 N 0.03 -0.25 -0.04 13.12 0.00 -1.26 -5.13 107.32 113.79 3imi s GLY 117 Ca -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.71 3imi s GLY 117 CO 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 173.10 172.64 3imi s ALA 118 N -3.82 2.44 -0.09 3.20 0.00 -1.26 -5.09 121.76 117.13 3imi s ALA 118 Ca 0.04 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 3imi s ALA 118 Cb 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3imi s ALA 118 CO -0.10 0.53 0.56 0.08 0.00 0.00 0.00 175.76 176.83 3imi s VAL 119 N -0.63 5.12 -0.21 0.00 1.01 -1.26 -5.05 120.40 119.39 3imi s VAL 119 Ca 0.10 1.14 -0.04 0.00 0.00 0.00 0.00 61.98 63.18 3imi s VAL 119 Cb -0.11 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.44 3imi s VAL 119 CO 0.00 0.31 0.09 0.86 0.00 0.00 0.00 175.10 176.36 3imi s TRP 120 N 0.63 0.45 -0.26 5.22 -0.11 -1.26 -5.10 118.94 118.50 3imi s TRP 120 Ca 0.30 -0.61 0.03 0.00 1.22 0.00 0.00 56.10 57.04 3imi s TRP 120 Cb -0.16 -0.85 0.06 0.00 -1.50 0.00 0.00 33.47 31.02 3imi s TRP 120 CO 0.13 -0.62 -0.10 0.15 -4.62 0.00 0.00 176.95 171.89 3imi s LYS 121 N 2.05 2.21 0.40 5.86 1.02 -1.26 -5.10 119.74 124.93 3imi s LYS 121 Ca 0.03 -1.37 -0.26 0.00 0.02 0.00 0.00 55.97 54.39 3imi s LYS 121 Cb -0.16 -2.91 -0.09 0.00 -0.52 0.00 0.00 37.83 34.15 3imi s LYS 121 CO -0.16 -0.59 1.28 0.45 -0.92 0.00 0.00 175.35 175.41 3imi s SER 122 N 1.10 6.36 -0.13 2.83 0.15 -1.26 -4.94 113.70 117.80 3imi s SER 122 Ca -0.08 2.60 0.15 0.00 0.70 0.00 0.00 55.95 59.31 3imi s SER 122 Cb -0.20 -2.63 0.33 0.00 -1.71 0.00 0.00 66.02 61.81 3imi s SER 122 CO -0.05 -0.81 1.17 1.41 1.20 0.00 0.00 173.24 176.16 3imi n HIS 123 N 0.15 0.00 -0.22 3.44 8.25 -1.26 -4.92 115.22 120.66 3imi n HIS 123 Ca 0.04 -1.04 0.03 0.00 -0.26 0.00 0.00 57.72 56.48 3imi n HIS 123 Cb 0.44 -0.18 0.13 0.00 1.12 0.00 0.00 29.99 31.50 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 0.54 0.21 0.00 -0.41 4.15 -1.96 -1.58 115.11 116.06 3imi h GLN 124 Ca -0.03 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3imi h GLN 124 Cb 1.16 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.80 3imi h GLN 124 CO 0.01 0.14 0.00 0.27 -1.93 0.00 0.00 178.83 177.32 3imi n ASN 125 N -5.19 0.00 -0.90 -0.69 6.94 -1.26 -2.84 115.26 111.31 3imi n ASN 125 Ca 0.11 -1.03 0.12 0.00 -0.02 0.00 0.00 54.58 53.76 3imi n ASN 125 Cb 0.39 0.00 0.26 0.00 -2.36 0.00 0.00 39.78 38.07 3imi n ASN 125 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3imi n GLU 126 N -0.89 2.20 -4.88 -3.83 1.02 -0.59 -4.89 120.64 108.78 3imi n GLU 126 Ca 0.16 -1.79 -0.26 0.00 -0.02 0.00 0.00 57.16 55.24 3imi n GLU 126 Cb 0.07 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 29.86 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 -1.70 1.77 0.00 -0.32 2.02 -1.13 -5.13 117.35 112.86 3imi s TYR 127 Ca 0.35 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 3imi s TYR 127 Cb 0.21 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.58 3imi s TYR 127 CO 0.30 -0.16 0.00 0.25 -1.57 0.00 0.00 175.55 174.37 3imi n THR 128 N 3.07 0.00 0.00 -0.71 -2.24 -1.26 -4.97 114.28 108.17 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 -0.17 -0.78 2.13 -1.26 -1.88 120.64 118.69 3imi n GLU 130 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 3imi n GLU 130 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 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 -0.60 4.31 -0.26 -1.99 -1.27 115.58 116.25 3imi h ASN 131 Ca 0.00 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3imi h ASN 131 Cb 0.00 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 3imi h ASN 131 CO 0.00 0.34 0.17 -0.07 -1.06 0.00 0.00 177.43 176.80 3imi h LEU 132 N 0.59 0.90 -0.62 1.61 3.38 -1.75 -1.25 115.31 118.17 3imi h LEU 132 Ca 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3imi h LEU 132 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3imi h LEU 132 CO -0.10 0.88 0.39 -0.61 0.09 0.00 0.00 178.44 179.10 3imi h GLN 133 N 0.87 0.82 -0.45 1.13 4.15 -1.74 -0.93 115.11 118.97 3imi h GLN 133 Ca 0.19 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.42 3imi h GLN 133 Cb 0.32 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3imi h GLN 133 CO -0.00 0.57 -0.25 -0.91 -1.93 0.00 0.00 178.83 176.30 3imi h ASN 134 N 0.84 0.98 -0.11 -0.69 2.35 -1.06 -1.55 115.58 116.33 3imi h ASN 134 Ca 0.22 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3imi h ASN 134 Cb -0.06 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 3imi h ASN 134 CO -0.05 1.17 0.05 0.40 -1.65 0.00 0.00 177.43 177.35 3imi h ILE 135 N 0.81 1.14 -0.42 2.81 2.04 -1.05 -2.04 117.51 120.80 3imi h ILE 135 Ca 0.10 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3imi h ILE 135 Cb 0.83 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3imi h ILE 135 CO 0.07 0.13 0.25 0.00 0.00 0.00 0.00 178.15 178.60 3imi h ALA 136 N 0.89 0.54 0.00 1.87 0.00 -1.08 -2.18 119.26 119.31 3imi h ALA 136 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3imi h ALA 136 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3imi h ALA 136 CO -0.00 0.04 -0.43 0.66 0.00 0.00 0.00 179.25 179.51 3imi h SER 137 N 0.56 0.00 -0.28 0.00 4.64 -1.25 0.23 113.55 117.45 3imi h SER 137 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3imi h SER 137 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3imi h SER 137 CO -0.03 0.43 0.09 0.74 -0.87 0.00 0.00 176.83 177.19 3imi h THR 138 N 0.00 1.20 0.08 2.95 2.02 -1.11 -1.78 112.91 116.26 3imi h THR 138 Ca -0.00 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 3imi h THR 138 Cb 0.77 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3imi h THR 138 CO 0.06 0.21 -0.04 0.40 0.37 0.00 0.00 175.52 176.52 3imi h ILE 139 N 0.29 1.13 -0.76 3.11 2.04 -1.05 -3.08 117.51 119.19 3imi h ILE 139 Ca 0.09 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 65.35 3imi h ILE 139 Cb 0.24 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.83 3imi h ILE 139 CO -0.00 0.18 0.32 0.00 0.00 0.00 0.00 178.15 178.65 3imi h ALA 140 N 0.45 1.07 0.00 1.87 0.00 -0.55 0.65 119.26 122.75 3imi h ALA 140 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3imi h ALA 140 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3imi h ALA 140 CO 0.02 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.19 3imi n ASN 141 N -4.96 0.30 -0.24 0.00 3.02 -0.67 -2.98 115.26 109.72 3imi n ASN 141 Ca 0.14 0.55 0.11 0.00 -0.03 0.00 0.00 54.58 55.35 3imi n ASN 141 Cb 0.39 -0.62 -0.00 0.00 -0.61 0.00 0.00 39.78 38.94 3imi n ASN 141 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3imi n SER 142 N -1.81 1.43 -4.68 6.41 2.88 0.19 -4.93 113.62 113.12 3imi n SER 142 Ca 0.04 -1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 55.99 3imi n SER 142 Cb 0.26 0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 64.34 3imi n SER 142 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3imi s VAL 143 N -2.73 3.50 -2.71 2.46 1.01 -1.06 -5.10 120.40 115.77 3imi s VAL 143 Ca 0.14 0.82 0.22 0.00 0.00 0.00 0.00 61.98 63.16 3imi s VAL 143 Cb 0.17 -3.53 0.17 0.00 0.00 0.00 0.00 36.38 33.19 3imi s VAL 143 CO 0.70 -0.02 1.19 0.29 0.00 0.00 0.00 175.10 177.25