#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imi n ALA 5 N 0.00 0.00 -0.01 6.98 0.00 -1.26 -4.96 120.51 121.26 3imi n ALA 5 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3imi n ALA 5 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3imi n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3imi n ASP 6 N 0.00 2.25 -1.33 0.00 10.43 -1.26 -4.30 116.55 122.34 3imi n ASP 6 Ca 0.00 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.41 3imi n ASP 6 Cb 0.00 1.52 0.25 0.00 1.84 0.00 0.00 41.12 44.73 3imi n ASP 6 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3imi n ASN 7 N -1.94 3.85 -4.62 -2.24 5.03 -1.26 -4.94 115.26 109.15 3imi n ASN 7 Ca -0.03 -2.53 -0.43 0.00 0.87 0.00 0.00 54.58 52.46 3imi n ASN 7 Cb 0.33 -0.59 -0.02 0.00 -1.02 0.00 0.00 39.78 38.48 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 6.01 1.16 -0.41 0.00 2.04 -1.97 -1.39 117.51 122.95 3imi h ILE 9 Ca -0.24 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.15 3imi h ILE 9 Cb 1.08 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3imi h ILE 9 CO 1.06 0.17 -0.30 -0.26 0.00 0.00 0.00 178.15 178.81 3imi h PHE 10 N 0.93 1.09 -0.00 1.37 0.04 -1.98 -0.17 116.94 118.21 3imi h PHE 10 Ca 0.27 -0.30 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3imi h PHE 10 Cb -0.05 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 37.85 3imi h PHE 10 CO -0.00 1.12 -0.10 0.00 -0.60 0.00 0.00 178.31 178.73 3imi h LYS 12 N 0.01 0.91 -0.31 0.00 1.63 -0.54 -0.36 116.57 117.90 3imi h LYS 12 Ca 0.00 -0.48 -0.06 0.00 -0.85 0.00 0.00 60.65 59.26 3imi h LYS 12 Cb 0.18 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 3imi h LYS 12 CO 0.01 1.13 -0.04 0.82 -3.45 0.00 0.00 179.45 177.92 3imi h ILE 13 N 0.75 1.27 -0.55 2.00 2.04 0.03 -0.41 117.51 122.63 3imi h ILE 13 Ca 0.06 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.89 3imi h ILE 13 Cb 0.97 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3imi h ILE 13 CO 0.09 0.34 0.36 0.40 0.00 0.00 0.00 178.15 179.34 3imi h ILE 14 N 0.36 1.14 0.00 -0.67 2.04 -0.98 -1.93 117.51 117.47 3imi h ILE 14 Ca 0.08 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3imi h ILE 14 Cb 0.51 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3imi h ILE 14 CO 0.02 0.14 0.00 -0.67 0.00 0.00 0.00 178.15 177.64 3imi n ASP 15 N -4.71 0.00 -0.37 1.72 4.64 -0.15 -4.88 116.55 112.81 3imi n ASP 15 Ca 0.03 0.08 -0.04 0.00 -1.38 0.00 0.00 54.79 53.49 3imi n ASP 15 Cb 0.02 -0.30 -0.01 0.00 -1.04 0.00 0.00 41.12 39.79 3imi n ASP 15 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3imi n GLY 16 N 0.13 0.48 0.06 0.27 0.00 -0.72 -4.93 105.19 100.49 3imi n GLY 16 Ca 0.08 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.25 0.63 -4.31 1.61 6.02 -0.21 -4.91 117.38 113.97 3imi n GLN 17 Ca -0.04 -0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 56.69 3imi n GLN 17 Cb 0.30 -1.68 -0.13 0.00 1.02 0.00 0.00 30.24 29.76 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 -3.41 1.55 0.50 5.09 1.01 -1.18 -4.99 121.20 119.78 3imi s ILE 18 Ca -0.04 -1.42 -0.05 0.00 0.00 0.00 0.00 60.65 59.14 3imi s ILE 18 Cb 0.12 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 3imi s ILE 18 CO 0.85 -0.06 0.80 -0.76 0.00 0.00 0.00 174.94 175.77 3imi s LEU 19 N -1.74 3.54 0.26 2.97 1.43 -1.26 -4.54 118.68 119.34 3imi s LEU 19 Ca 0.05 0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 53.81 3imi s LEU 19 Cb -0.10 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 42.38 3imi s LEU 19 CO 0.03 -0.70 0.58 0.00 0.23 0.00 0.00 176.35 176.49 3imi s SER 21 N -2.98 6.69 0.20 0.00 0.01 -1.26 -5.05 113.70 111.31 3imi s SER 21 Ca 0.18 -2.54 -0.30 0.00 1.31 0.00 0.00 55.95 54.60 3imi s SER 21 Cb -0.03 -2.22 -0.09 0.00 0.21 0.00 0.00 66.02 63.89 3imi s SER 21 CO 0.08 -0.64 1.34 -0.75 0.41 0.00 0.00 173.24 173.69 3imi s LYS 22 N 0.49 4.36 -0.15 12.44 2.20 -1.26 -1.90 119.74 135.91 3imi s LYS 22 Ca 0.17 2.11 0.02 0.00 -0.36 0.00 0.00 55.97 57.91 3imi s LYS 22 Cb -0.12 -3.18 -0.11 0.00 -1.51 0.00 0.00 37.83 32.91 3imi s LYS 22 CO -0.07 -0.30 -0.12 0.28 -0.36 0.00 0.00 175.35 174.77 3imi n VAL 23 N 2.70 0.88 -3.49 4.02 0.31 0.25 -4.92 118.33 118.09 3imi n VAL 23 Ca 0.07 -0.35 -0.16 0.00 -0.01 0.00 0.00 64.34 63.89 3imi n VAL 23 Cb 0.42 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.29 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 -2.31 -0.61 -0.24 3.52 5.04 -1.07 -4.99 117.35 116.69 3imi s TYR 24 Ca -0.20 0.84 -0.21 0.00 -2.44 0.00 0.00 57.07 55.06 3imi s TYR 24 Cb 0.05 0.46 0.07 0.00 0.35 0.00 0.00 41.96 42.89 3imi s TYR 24 CO 0.37 -0.69 0.64 -2.00 -1.34 0.00 0.00 175.55 172.53 3imi s GLU 25 N -2.09 0.73 0.00 4.97 2.12 -1.26 -0.59 118.70 122.58 3imi s GLU 25 Ca -0.07 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.21 3imi s GLU 25 Cb -0.00 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.70 3imi s GLU 25 CO 0.02 -0.10 0.00 -0.40 -0.54 0.00 0.00 175.26 174.24 3imi n ASP 26 N 3.04 0.00 0.26 -1.70 5.68 -0.48 -5.01 116.55 118.33 3imi n ASP 26 Ca -0.15 -0.81 0.10 0.00 -0.50 0.00 0.00 54.79 53.43 3imi n ASP 26 Cb 0.56 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.24 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 -3.29 114.58 114.19 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 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3imi h GLU 27 CO 0.00 0.08 -1.07 0.72 -0.73 0.00 0.00 179.01 178.02 3imi n HIS 28 N -4.05 0.00 -4.07 0.92 8.25 -1.26 -4.92 115.22 110.09 3imi n HIS 28 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 3imi n HIS 28 Cb 0.17 -0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 3imi n HIS 28 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3imi s VAL 29 N -2.28 0.25 -0.01 1.59 0.11 -1.24 -1.14 120.40 117.68 3imi s VAL 29 Ca -0.01 -1.58 0.02 0.00 -2.93 0.00 0.00 61.98 57.48 3imi s VAL 29 Cb 0.05 -1.20 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 3imi s VAL 29 CO 0.29 -0.85 -0.07 -0.22 -3.33 0.00 0.00 175.10 170.93 3imi s LEU 30 N -2.53 1.95 -0.02 2.54 2.96 -0.57 -1.39 118.68 121.61 3imi s LEU 30 Ca 0.01 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 3imi s LEU 30 Cb 0.03 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.35 3imi s LEU 30 CO -0.07 0.07 -0.15 0.00 -1.32 0.00 0.00 176.35 174.88 3imi s ALA 31 N -0.06 1.28 0.15 5.97 0.00 0.24 -1.13 121.76 128.21 3imi s ALA 31 Ca 0.01 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 3imi s ALA 31 Cb -0.04 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.74 3imi s ALA 31 CO -0.00 0.27 0.46 -0.59 0.00 0.00 0.00 175.76 175.90 3imi s PHE 32 N -0.16 -0.20 0.43 0.00 -0.12 -0.69 -0.58 117.98 116.66 3imi s PHE 32 Ca 0.02 -0.12 -0.25 0.00 -0.05 0.00 0.00 56.93 56.53 3imi s PHE 32 Cb -0.08 0.33 -0.08 0.00 -0.63 0.00 0.00 43.02 42.56 3imi s PHE 32 CO 0.00 -0.79 1.25 -0.51 -0.05 0.00 0.00 175.22 175.12 3imi s LEU 33 N -2.83 4.14 -0.20 -1.99 1.43 -0.80 -0.39 118.68 118.05 3imi s LEU 33 Ca 0.05 2.52 -0.28 0.00 -1.03 0.00 0.00 54.13 55.40 3imi s LEU 33 Cb 0.01 -4.03 -0.00 0.00 0.03 0.00 0.00 46.19 42.20 3imi s LEU 33 CO -0.09 -0.88 0.96 -0.62 0.23 0.00 0.00 176.35 175.95 3imi s ASP 34 N -0.97 7.05 0.41 2.29 -1.08 -0.47 -4.75 116.67 119.15 3imi s ASP 34 Ca 0.59 1.31 0.27 0.00 -0.52 0.00 0.00 52.55 54.21 3imi s ASP 34 Cb -0.35 -2.51 1.48 0.00 -1.46 0.00 0.00 42.92 40.08 3imi s ASP 34 CO 0.44 -0.56 1.84 0.16 0.52 0.00 0.00 175.17 177.57 3imi h ILE 35 N 5.34 0.00 0.00 4.11 -0.00 -1.93 -0.41 117.51 124.62 3imi h ILE 35 Ca -0.24 -0.01 -0.05 0.00 -0.00 0.00 0.00 64.86 64.57 3imi h ILE 35 Cb 1.09 0.62 -0.01 0.00 -0.00 0.00 0.00 36.82 38.52 3imi h ILE 35 CO 0.91 0.00 -0.24 0.28 -0.00 0.00 0.00 178.15 179.11 3imi h SER 36 N 0.00 0.00 -6.76 2.16 0.02 -1.95 -3.48 113.55 103.55 3imi h SER 36 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 3imi h SER 36 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3imi h SER 36 CO 0.00 0.24 -0.71 0.00 -1.14 0.00 0.00 176.83 175.21 3imi n GLN 37 N -3.43 -0.70 0.15 3.45 1.13 -0.16 -4.76 117.38 113.05 3imi n GLN 37 Ca -0.00 0.12 0.16 0.00 -1.94 0.00 0.00 57.00 55.34 3imi n GLN 37 Cb 0.43 -1.39 0.74 0.00 0.11 0.00 0.00 30.24 30.13 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 -0.42 0.67 -3.54 5.09 -1.51 -1.92 -3.41 116.25 111.20 3imi h VAL 38 Ca -0.47 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.91 3imi h VAL 38 Cb 0.95 0.83 -0.16 0.00 -2.13 0.00 0.00 31.29 30.79 3imi h VAL 38 CO 0.31 0.00 -0.31 0.42 -1.23 0.00 0.00 177.57 176.76 3imi s THR 39 N -4.85 0.11 0.04 7.19 -4.23 -1.26 -1.21 115.64 111.42 3imi s THR 39 Ca -0.05 -0.88 -0.30 0.00 -1.18 0.00 0.00 61.69 59.27 3imi s THR 39 Cb 0.17 -1.07 -0.08 0.00 1.34 0.00 0.00 72.50 72.86 3imi s THR 39 CO 0.64 -0.49 1.71 -0.75 -0.54 0.00 0.00 174.62 175.19 3imi s LYS 40 N -3.05 4.18 0.00 3.99 2.20 -1.26 -1.90 119.74 123.90 3imi s LYS 40 Ca -0.01 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 3imi s LYS 40 Cb 0.01 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 3imi s LYS 40 CO -0.06 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 3imi n GLY 41 N 4.12 0.56 3.67 5.54 0.00 -1.26 -4.72 105.19 113.10 3imi n GLY 41 Ca 0.17 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 1.96 -4.26 1.61 -0.00 -0.80 -4.81 115.22 106.92 3imi n HIS 42 Ca 0.00 0.56 -0.22 0.00 -0.00 0.00 0.00 57.72 58.06 3imi n HIS 42 Cb 0.00 -2.44 -0.12 0.00 -0.00 0.00 0.00 29.99 27.42 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 4.02 1.55 0.03 3.57 2.01 -0.16 -1.37 115.64 125.29 3imi s THR 43 Ca 1.01 -1.53 0.06 0.00 0.31 0.00 0.00 61.69 61.54 3imi s THR 43 Cb -1.10 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 3imi s THR 43 CO 0.65 -0.15 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.53 3imi s LEU 44 N -1.97 2.77 -0.12 4.42 1.43 0.48 0.18 118.68 125.86 3imi s LEU 44 Ca 0.05 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3imi s LEU 44 Cb -0.09 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3imi s LEU 44 CO 0.04 0.26 -0.15 -0.69 0.23 0.00 0.00 176.35 176.03 3imi s VAL 45 N -0.96 1.57 0.08 -1.59 1.01 -0.56 -1.71 120.40 118.24 3imi s VAL 45 Ca 0.16 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3imi s VAL 45 Cb -0.11 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3imi s VAL 45 CO 0.06 0.46 -0.10 0.27 0.00 0.00 0.00 175.10 175.79 3imi s ILE 46 N 1.14 0.85 0.41 2.22 -4.36 -0.28 -1.67 121.20 119.50 3imi s ILE 46 Ca -0.03 -1.42 -0.23 0.00 -0.26 0.00 0.00 60.65 58.71 3imi s ILE 46 Cb -0.14 -1.10 -0.10 0.00 1.25 0.00 0.00 42.46 42.37 3imi s ILE 46 CO -0.05 -0.45 0.99 -2.16 0.24 0.00 0.00 174.94 173.51 3imi s PRO 47 N -2.28 4.20 0.44 0.37 0.04 -1.26 -1.51 135.00 135.00 3imi s PRO 47 Ca -0.00 1.31 0.23 0.00 0.04 0.00 0.00 61.00 62.58 3imi s PRO 47 Cb -0.06 -2.38 0.95 0.00 0.04 0.00 0.00 34.50 33.05 3imi s PRO 47 CO 0.00 -0.08 1.84 0.87 0.04 0.00 0.00 177.00 179.68 3imi h LYS 48 N 2.25 0.00 -6.69 4.56 1.57 -1.46 -3.43 116.57 113.36 3imi h LYS 48 Ca -0.48 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.80 3imi h LYS 48 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3imi h LYS 48 CO 0.62 0.24 0.18 0.54 -0.57 0.00 0.00 179.45 180.46 3imi s VAL 49 N -3.73 4.47 -0.52 0.50 0.11 -1.26 -4.99 120.40 114.98 3imi s VAL 49 Ca -0.00 1.42 -0.28 0.00 -2.93 0.00 0.00 61.98 60.20 3imi s VAL 49 Cb 0.11 -3.88 0.03 0.00 -1.53 0.00 0.00 36.38 31.11 3imi s VAL 49 CO 0.64 0.14 1.11 -2.28 -3.33 0.00 0.00 175.10 171.38 3imi s HIS 50 N -1.60 2.75 -0.10 1.54 2.46 -1.26 -4.94 115.29 114.14 3imi s HIS 50 Ca 0.46 0.51 0.01 0.00 0.47 0.00 0.00 55.06 56.52 3imi s HIS 50 Cb -0.16 -4.38 0.02 0.00 -0.13 0.00 0.00 32.58 27.92 3imi s HIS 50 CO 0.21 -1.37 -0.12 0.15 -2.47 0.00 0.00 174.74 171.15 3imi s LYS 51 N 4.50 1.81 0.31 2.88 -0.14 -1.26 -5.06 119.74 122.78 3imi s LYS 51 Ca 0.43 -0.41 0.02 0.00 -1.36 0.00 0.00 55.97 54.66 3imi s LYS 51 Cb -0.08 -1.63 0.51 0.00 -1.68 0.00 0.00 37.83 34.94 3imi s LYS 51 CO 0.28 -0.11 1.83 0.37 -0.76 0.00 0.00 175.35 176.96 3imi h GLN 52 N 7.55 0.61 0.00 1.68 4.15 -1.93 0.54 115.11 127.71 3imi h GLN 52 Ca -0.31 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.00 3imi h GLN 52 Cb 1.16 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.77 3imi h GLN 52 CO 0.46 0.64 0.29 -0.40 -1.93 0.00 0.00 178.83 177.89 3imi n ASP 53 N -4.25 -1.52 -0.27 -0.69 5.68 -1.26 -3.14 116.55 111.10 3imi n ASP 53 Ca 0.02 -1.97 0.08 0.00 -0.50 0.00 0.00 54.79 52.42 3imi n ASP 53 Cb 0.27 2.51 0.31 0.00 -1.14 0.00 0.00 41.12 43.07 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 1.72 0.96 0.00 2.12 6.09 -1.92 -1.33 117.51 125.14 3imi h ILE 54 Ca -0.23 -0.29 -0.01 0.00 -1.37 0.00 0.00 64.86 62.96 3imi h ILE 54 Cb 0.89 0.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.21 3imi h ILE 54 CO 0.29 0.16 -0.03 -0.26 -3.07 0.00 0.00 178.15 175.24 3imi h PHE 55 N 0.85 0.00 -0.01 2.19 0.04 -2.00 -2.61 116.94 115.41 3imi h PHE 55 Ca 0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.18 3imi h PHE 55 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3imi h PHE 55 CO -0.00 0.03 -0.33 0.00 -0.60 0.00 0.00 178.31 177.41 3imi n ALA 56 N -2.14 3.25 -1.86 2.45 0.00 -0.50 -4.93 120.51 116.77 3imi n ALA 56 Ca -0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 3imi n ALA 56 Cb 0.20 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.49 4.51 0.48 0.00 1.02 -0.98 -4.95 118.68 116.27 3imi s LEU 57 Ca 0.22 2.28 -0.06 0.00 0.02 0.00 0.00 54.13 56.60 3imi s LEU 57 Cb 0.19 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 3imi s LEU 57 CO 0.54 -0.24 0.79 0.42 0.02 0.00 0.00 176.35 177.88 3imi s THR 58 N -0.79 4.89 0.32 5.49 -4.23 -1.26 -4.91 115.64 115.15 3imi s THR 58 Ca 0.47 0.26 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 3imi s THR 58 Cb -0.33 -3.86 0.29 0.00 1.34 0.00 0.00 72.50 69.95 3imi s THR 58 CO 0.40 -0.84 1.89 -0.65 -0.54 0.00 0.00 174.62 174.89 3imi h PRO 59 N 0.29 0.88 0.03 3.99 0.11 -1.98 -0.76 132.00 134.54 3imi h PRO 59 Ca -0.47 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.62 3imi h PRO 59 Cb 1.20 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3imi h PRO 59 CO 0.62 0.58 -0.24 1.49 -0.21 0.00 0.00 178.00 180.23 3imi h GLU 60 N 0.90 -0.38 -0.24 1.05 4.57 -1.99 0.28 114.58 118.77 3imi h GLU 60 Ca 0.42 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.58 3imi h GLU 60 Cb 0.40 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3imi h GLU 60 CO -0.18 -0.25 -0.01 0.82 -1.18 0.00 0.00 179.01 178.20 3imi h ILE 61 N -0.39 1.26 -0.70 2.32 1.08 -1.82 -2.33 117.51 116.94 3imi h ILE 61 Ca 0.05 -0.94 0.11 0.00 -0.39 0.00 0.00 64.86 63.69 3imi h ILE 61 Cb 0.46 1.40 -0.08 0.00 -3.07 0.00 0.00 36.82 35.53 3imi h ILE 61 CO -0.20 0.29 0.31 0.00 -0.69 0.00 0.00 178.15 177.86 3imi h ALA 62 N 0.80 0.95 0.02 1.87 0.00 -1.07 -0.92 119.26 120.91 3imi h ALA 62 Ca 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3imi h ALA 62 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3imi h ALA 62 CO 0.02 -0.13 -0.01 0.77 0.00 0.00 0.00 179.25 179.90 3imi h SER 63 N 0.51 -0.03 -0.97 0.00 0.02 -0.72 -2.09 113.55 110.28 3imi h SER 63 Ca 0.36 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.28 3imi h SER 63 Cb 0.44 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 3imi h SER 63 CO -0.31 0.02 0.64 0.45 -1.14 0.00 0.00 176.83 176.49 3imi h HIS 64 N -0.07 1.21 -0.09 3.45 -0.00 -0.86 0.06 115.15 118.85 3imi h HIS 64 Ca -0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3imi h HIS 64 Cb 0.06 -0.41 -0.00 0.00 -0.00 0.00 0.00 27.41 27.06 3imi h HIS 64 CO -0.06 0.75 0.03 0.82 -0.00 0.00 0.00 177.93 179.47 3imi h ILE 65 N 1.29 1.15 0.00 2.45 2.04 -0.99 -3.23 117.51 120.21 3imi h ILE 65 Ca 0.36 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.67 3imi h ILE 65 Cb -0.12 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3imi h ILE 65 CO -0.09 0.13 -0.61 0.15 0.00 0.00 0.00 178.15 177.73 3imi h PHE 66 N -0.02 0.00 -0.01 1.37 3.57 -1.11 -3.25 116.94 117.49 3imi h PHE 66 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3imi h PHE 66 Cb 0.17 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3imi h PHE 66 CO -0.02 0.53 0.01 0.66 -2.23 0.00 0.00 178.31 177.26 3imi h SER 67 N 0.00 0.00 0.18 0.41 4.64 -1.00 -2.13 113.55 115.65 3imi h SER 67 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3imi h SER 67 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3imi h SER 67 CO 0.07 0.00 -0.70 1.33 -0.87 0.00 0.00 176.83 176.65 3imi n VAL 68 N -4.01 0.00 -0.16 0.95 0.24 -1.23 -4.43 118.33 109.69 3imi n VAL 68 Ca -0.03 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.15 3imi n VAL 68 Cb 0.09 0.73 0.01 0.00 -1.47 0.00 0.00 33.84 33.20 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 0.41 1.16 -0.35 3.34 2.07 -1.49 -2.41 116.25 118.98 3imi h VAL 69 Ca 0.00 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3imi h VAL 69 Cb 0.53 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3imi h VAL 69 CO 0.00 0.17 0.10 -0.65 0.02 0.00 0.00 177.57 177.21 3imi h PRO 70 N 0.62 0.22 -0.39 1.57 0.11 -1.77 0.17 132.00 132.54 3imi h PRO 70 Ca 0.17 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.31 3imi h PRO 70 Cb 0.04 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 3imi h PRO 70 CO -0.03 0.15 0.12 0.87 -0.21 0.00 0.00 178.00 178.90 3imi h LYS 71 N 0.23 0.26 -0.26 1.05 1.57 -1.80 0.81 116.57 118.43 3imi h LYS 71 Ca 0.16 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3imi h LYS 71 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3imi h LYS 71 CO -0.19 0.17 0.02 0.82 -0.57 0.00 0.00 179.45 179.71 3imi h ILE 72 N 0.27 1.24 -0.49 1.86 2.04 -1.04 -0.41 117.51 120.98 3imi h ILE 72 Ca 0.18 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.25 3imi h ILE 72 Cb 0.17 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3imi h ILE 72 CO -0.20 0.27 0.21 0.00 0.00 0.00 0.00 178.15 178.43 3imi h ALA 73 N 0.84 0.61 -0.49 1.87 0.00 -0.34 -1.01 119.26 120.74 3imi h ALA 73 Ca 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3imi h ALA 73 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3imi h ALA 73 CO 0.01 -0.17 0.15 -0.91 0.00 0.00 0.00 179.25 178.33 3imi h ASN 74 N 0.41 0.71 -0.64 0.00 2.35 -0.69 -1.15 115.58 116.57 3imi h ASN 74 Ca 0.22 -0.21 0.11 0.00 -0.55 0.00 0.00 56.30 55.88 3imi h ASN 74 Cb 0.19 -0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 3imi h ASN 74 CO -0.20 0.74 0.19 0.00 -1.65 0.00 0.00 177.43 176.51 3imi h ALA 75 N 1.00 0.81 -0.63 -0.83 0.00 -0.53 0.52 119.26 119.61 3imi h ALA 75 Ca 0.16 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3imi h ALA 75 Cb 0.28 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3imi h ALA 75 CO -0.00 -0.25 0.13 0.82 0.00 0.00 0.00 179.25 179.94 3imi h ILE 76 N 0.34 1.26 -0.41 0.00 2.04 -0.90 -2.50 117.51 117.33 3imi h ILE 76 Ca 0.34 -0.97 -0.13 0.00 1.00 0.00 0.00 64.86 65.10 3imi h ILE 76 Cb 0.48 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3imi h ILE 76 CO -0.38 0.36 -0.26 0.50 0.00 0.00 0.00 178.15 178.38 3imi h LYS 77 N 0.94 0.87 -0.02 2.37 3.64 -0.02 -1.57 116.57 122.78 3imi h LYS 77 Ca 0.19 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 3imi h LYS 77 Cb 0.39 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3imi h LYS 77 CO 0.01 1.03 -0.27 0.00 -2.27 0.00 0.00 179.45 177.94 3imi h ALA 78 N 0.95 1.51 0.01 5.00 0.00 0.17 -2.21 119.26 124.68 3imi h ALA 78 Ca 0.09 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 3imi h ALA 78 Cb 0.81 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3imi h ALA 78 CO 0.07 0.37 -2.17 0.39 0.00 0.00 0.00 179.25 177.91 3imi n GLU 79 N -4.20 0.67 0.00 0.00 -0.58 -0.96 -4.64 120.64 110.94 3imi n GLU 79 Ca -0.02 0.12 0.02 0.00 -0.42 0.00 0.00 57.16 56.87 3imi n GLU 79 Cb 0.33 -1.62 0.02 0.00 -0.57 0.00 0.00 31.44 29.60 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 -2.96 0.00 -3.95 -0.32 3.72 -0.61 -5.04 117.46 108.30 3imi n PHE 80 Ca -0.30 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.83 3imi n PHE 80 Cb 1.10 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.62 3imi n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3imi n ASN 81 N 0.19 -0.84 -4.72 4.37 3.02 -0.83 -4.93 115.26 111.52 3imi n ASN 81 Ca 0.03 -1.04 -0.31 0.00 -0.03 0.00 0.00 54.58 53.23 3imi n ASN 81 Cb 0.11 -2.94 0.13 0.00 -0.61 0.00 0.00 39.78 36.47 3imi n ASN 81 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3imi s PRO 82 N -6.58 1.62 0.09 3.52 0.04 -1.26 -4.93 135.00 127.49 3imi s PRO 82 Ca 0.07 1.38 0.24 0.00 0.04 0.00 0.00 61.00 62.73 3imi s PRO 82 Cb -0.03 -1.81 0.37 0.00 0.04 0.00 0.00 34.50 33.08 3imi s PRO 82 CO 0.90 -2.16 1.33 1.55 0.04 0.00 0.00 177.00 178.66 3imi n VAL 83 N -3.87 0.27 -3.48 -0.36 3.14 0.40 -4.96 118.33 109.47 3imi n VAL 83 Ca 0.11 -0.22 -0.05 0.00 -2.96 0.00 0.00 64.34 61.22 3imi n VAL 83 Cb 0.52 -0.05 0.02 0.00 -1.06 0.00 0.00 33.84 33.27 3imi n VAL 83 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3imi n GLY 84 N 1.37 1.37 3.63 7.55 0.00 -1.01 -5.01 105.19 113.10 3imi n GLY 84 Ca 0.04 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.91 -0.78 0.10 1.61 5.36 -1.26 -1.08 117.98 117.02 3imi s PHE 85 Ca 0.10 1.82 0.07 0.00 -0.96 0.00 0.00 56.93 57.96 3imi s PHE 85 Cb -0.03 0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 42.96 3imi s PHE 85 CO 0.07 -0.38 -0.18 -0.80 -1.46 0.00 0.00 175.22 172.47 3imi s ASN 86 N 0.58 2.26 -0.08 6.13 -0.87 -0.09 -4.96 114.94 117.91 3imi s ASN 86 Ca -0.01 -0.68 0.02 0.00 -1.57 0.00 0.00 52.86 50.62 3imi s ASN 86 Cb -0.05 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.25 41.05 3imi s ASN 86 CO -0.04 0.01 -0.15 -0.76 -2.57 0.00 0.00 177.10 173.59 3imi s LEU 87 N -1.91 2.68 -0.00 0.60 1.43 -1.26 -0.47 118.68 119.76 3imi s LEU 87 Ca 0.04 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3imi s LEU 87 Cb -0.10 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 3imi s LEU 87 CO 0.04 0.27 -0.04 -0.22 0.23 0.00 0.00 176.35 176.63 3imi s LEU 88 N -0.27 1.98 -0.04 1.79 2.96 -0.54 -4.97 118.68 119.59 3imi s LEU 88 Ca 0.02 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3imi s LEU 88 Cb -0.13 -0.20 0.03 0.00 0.50 0.00 0.00 46.19 46.39 3imi s LEU 88 CO 0.03 0.04 0.07 0.21 -1.32 0.00 0.00 176.35 175.38 3imi s ASN 89 N -0.05 0.03 -0.15 3.68 3.84 -1.26 -0.29 114.94 120.74 3imi s ASN 89 Ca 0.01 0.13 -0.01 0.00 0.21 0.00 0.00 52.86 53.20 3imi s ASN 89 Cb -0.02 0.01 -0.01 0.00 -0.55 0.00 0.00 41.25 40.68 3imi s ASN 89 CO -0.00 -0.14 -0.11 0.20 -2.79 0.00 0.00 177.10 174.26 3imi s ASN 90 N 1.13 4.06 -0.22 -4.21 0.01 -1.26 -5.09 114.94 109.37 3imi s ASN 90 Ca -0.09 -0.35 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 3imi s ASN 90 Cb -0.13 -1.64 0.05 0.00 0.41 0.00 0.00 41.25 39.95 3imi s ASN 90 CO -0.04 0.12 -0.07 0.20 -1.51 0.00 0.00 177.10 175.80 3imi s ASN 91 N 0.63 3.62 0.00 -1.22 0.01 -1.26 -4.51 114.94 112.21 3imi s ASN 91 Ca -0.06 -1.04 0.00 0.00 -0.71 0.00 0.00 52.86 51.05 3imi s ASN 91 Cb -0.15 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.33 3imi s ASN 91 CO 0.03 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.03 3imi n GLY 92 N 4.69 2.19 0.26 0.66 0.00 -1.26 -4.44 105.19 107.28 3imi n GLY 92 Ca -0.13 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.32 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 0.32 0.00 1.61 4.57 -1.94 -0.15 114.58 118.98 3imi h GLU 93 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3imi h GLU 93 Cb 0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3imi h GLU 93 CO 0.00 0.21 0.00 1.63 -1.18 0.00 0.00 179.01 179.67 3imi n LYS 94 N -5.09 0.81 -0.05 1.92 5.02 -1.26 -1.76 118.16 117.76 3imi n LYS 94 Ca 0.12 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.43 3imi n LYS 94 Cb 0.39 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.88 2.18 -0.12 7.82 0.00 -0.20 -5.00 120.51 124.32 3imi n ALA 95 Ca 0.15 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3imi n ALA 95 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.04 0.84 3.69 0.00 0.00 -0.72 -4.50 105.19 104.46 3imi n GLY 96 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.88 4.37 -0.09 1.61 0.74 -0.43 -4.86 119.66 120.11 3imi s GLN 97 Ca 0.00 1.72 0.03 0.00 0.05 0.00 0.00 55.36 57.16 3imi s GLN 97 Cb 0.00 -3.50 -0.07 0.00 1.10 0.00 0.00 33.01 30.54 3imi s GLN 97 CO 0.00 -0.40 -0.05 0.25 -0.55 0.00 0.00 175.29 174.54 3imi n THR 98 N 4.43 0.52 -3.78 -0.34 -2.24 -1.26 -4.20 114.28 107.40 3imi n THR 98 Ca 0.11 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 3imi n THR 98 Cb 0.46 -0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.18 4.24 -0.72 2.28 1.01 -1.26 -5.01 120.40 118.76 3imi s VAL 99 Ca -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3imi s VAL 99 Cb 0.03 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.47 3imi s VAL 99 CO 0.24 0.35 2.75 0.49 0.00 0.00 0.00 175.10 178.93 3imi n PHE 100 N 4.87 1.77 -3.72 5.22 3.72 -1.26 -4.73 117.46 123.33 3imi n PHE 100 Ca -0.16 -2.21 -0.18 0.00 -0.05 0.00 0.00 57.45 54.85 3imi n PHE 100 Cb 0.51 -1.59 -0.17 0.00 -0.94 0.00 0.00 39.48 37.30 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 -1.11 0.05 0.19 1.38 2.46 -1.21 -4.31 115.29 112.74 3imi s HIS 101 Ca 0.59 0.20 -0.32 0.00 0.47 0.00 0.00 55.06 55.99 3imi s HIS 101 Cb 0.31 -0.38 -0.15 0.00 -0.13 0.00 0.00 32.58 32.23 3imi s HIS 101 CO -0.16 -0.15 1.20 0.34 -2.47 0.00 0.00 174.74 173.50 3imi n PHE 102 N 4.80 1.45 -3.60 3.88 7.35 0.19 -4.88 117.46 126.65 3imi n PHE 102 Ca -0.14 0.64 -0.16 0.00 -0.76 0.00 0.00 57.45 57.03 3imi n PHE 102 Cb 0.50 -2.31 -0.07 0.00 0.35 0.00 0.00 39.48 37.95 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 -0.23 -0.62 -0.17 -5.13 -3.43 -1.26 -4.24 115.29 100.21 3imi s HIS 103 Ca 0.71 1.24 -0.08 0.00 -0.80 0.00 0.00 55.06 56.13 3imi s HIS 103 Cb -0.80 0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 30.61 3imi s HIS 103 CO 0.52 -0.48 0.09 -0.51 -2.00 0.00 0.00 174.74 172.36 3imi s LEU 104 N -0.64 3.98 -0.14 5.38 1.43 -0.67 -4.57 118.68 123.44 3imi s LEU 104 Ca -0.07 0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 3imi s LEU 104 Cb -0.02 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3imi s LEU 104 CO 0.06 0.22 0.62 -1.00 0.23 0.00 0.00 176.35 176.48 3imi s HIS 105 N 0.09 3.47 -0.34 0.29 3.76 0.61 -1.50 115.29 121.67 3imi s HIS 105 Ca 0.07 1.02 -0.09 0.00 -0.15 0.00 0.00 55.06 55.90 3imi s HIS 105 Cb -0.12 -2.74 0.02 0.00 1.11 0.00 0.00 32.58 30.85 3imi s HIS 105 CO 0.00 -0.01 0.16 -0.51 -0.85 0.00 0.00 174.74 173.53 3imi s LEU 106 N 1.27 4.38 -0.31 0.89 1.02 0.13 -1.47 118.68 124.58 3imi s LEU 106 Ca 0.31 -0.87 0.03 0.00 0.02 0.00 0.00 54.13 53.62 3imi s LEU 106 Cb -0.16 -1.97 0.09 0.00 0.02 0.00 0.00 46.19 44.17 3imi s LEU 106 CO 0.13 -0.30 0.03 -0.63 0.02 0.00 0.00 176.35 175.59 3imi s ILE 107 N 1.53 1.94 0.55 -0.59 1.01 0.38 -0.99 121.20 125.03 3imi s ILE 107 Ca 0.02 -1.97 -0.20 0.00 0.00 0.00 0.00 60.65 58.50 3imi s ILE 107 Cb -0.18 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3imi s ILE 107 CO 0.05 -0.49 1.19 -2.16 0.00 0.00 0.00 174.94 173.53 3imi s PRO 108 N 1.10 3.26 -0.07 2.79 0.04 -1.26 -0.91 135.00 139.95 3imi s PRO 108 Ca 0.06 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.94 3imi s PRO 108 Cb -0.19 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 3imi s PRO 108 CO -0.10 -0.96 -0.24 1.03 0.04 0.00 0.00 177.00 176.76 3imi s ARG 109 N -3.16 2.64 -0.00 4.56 1.81 -0.24 -4.76 118.95 119.80 3imi s ARG 109 Ca 0.73 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 3imi s ARG 109 Cb -0.29 -2.21 -0.00 0.00 -0.45 0.00 0.00 34.95 32.00 3imi s ARG 109 CO 0.32 0.36 -0.00 0.66 -0.68 0.00 0.00 175.30 175.97 3imi n TYR 110 N 3.00 0.00 -0.56 -0.53 4.01 -1.26 -0.45 117.16 121.37 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 -0.01 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 3.21 -0.66 0.27 2.72 0.00 -1.26 -4.68 105.19 104.79 3imi n GLY 111 Ca -0.01 -0.53 0.17 0.00 0.00 0.00 0.00 46.02 45.65 3imi n GLY 111 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3imi h GLU 112 N 0.00 0.00 0.00 1.61 4.81 -2.01 -2.58 114.58 116.41 3imi h GLU 112 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3imi h GLU 112 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3imi h GLU 112 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.37 3imi n ASN 113 N -3.02 0.00 -4.73 1.04 4.13 -1.26 -4.89 115.26 106.53 3imi n ASN 113 Ca 0.01 -1.43 -0.42 0.00 1.68 0.00 0.00 54.58 54.42 3imi n ASN 113 Cb 0.30 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.52 3imi n ASN 113 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3imi s ASP 114 N -1.57 6.43 0.00 6.41 1.01 -0.97 -4.88 116.67 123.09 3imi s ASP 114 Ca 0.27 2.84 0.28 0.00 0.71 0.00 0.00 52.55 56.66 3imi s ASP 114 Cb 0.12 -2.61 1.55 0.00 1.01 0.00 0.00 42.92 42.99 3imi s ASP 114 CO 0.21 -0.91 2.01 0.61 0.21 0.00 0.00 175.17 177.30 3imi n GLY 115 N 3.18 -1.08 3.32 0.21 0.00 -0.35 -4.75 105.19 105.72 3imi n GLY 115 Ca 0.12 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.33 2.54 0.05 1.61 5.36 -1.26 -4.99 117.98 118.96 3imi s PHE 116 Ca 0.34 -0.61 -0.13 0.00 -0.96 0.00 0.00 56.93 55.57 3imi s PHE 116 Cb 0.19 -1.64 0.02 0.00 -0.34 0.00 0.00 43.02 41.25 3imi s PHE 116 CO 0.39 -0.14 0.30 0.20 -1.46 0.00 0.00 175.22 174.50 3imi s GLY 117 N -0.20 -0.11 -0.09 13.12 0.00 -1.26 -5.13 107.32 113.65 3imi s GLY 117 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.71 3imi s GLY 117 CO 0.03 -0.25 -0.24 0.00 0.00 0.00 0.00 173.10 172.65 3imi s ALA 118 N -2.63 2.15 -0.08 3.20 0.00 -1.26 -5.09 121.76 118.05 3imi s ALA 118 Ca -0.04 -0.97 -0.23 0.00 0.00 0.00 0.00 51.96 50.71 3imi s ALA 118 Cb -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 3imi s ALA 118 CO -0.04 0.30 0.70 0.08 0.00 0.00 0.00 175.76 176.81 3imi s VAL 119 N 0.28 5.03 -0.07 0.00 1.01 -1.26 -5.04 120.40 120.36 3imi s VAL 119 Ca -0.17 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.25 3imi s VAL 119 Cb -0.17 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.19 3imi s VAL 119 CO 0.08 0.22 -0.06 0.86 0.00 0.00 0.00 175.10 176.20 3imi s TRP 120 N 0.98 1.06 -0.14 5.22 -0.11 -1.26 -5.12 118.94 119.57 3imi s TRP 120 Ca 0.37 -0.39 -0.04 0.00 1.22 0.00 0.00 56.10 57.26 3imi s TRP 120 Cb -0.17 -0.90 0.06 0.00 -1.50 0.00 0.00 33.47 30.96 3imi s TRP 120 CO 0.17 -0.30 0.14 0.21 -4.62 0.00 0.00 176.95 172.55 3imi s LYS 121 N 1.16 0.07 0.37 5.86 2.47 -1.26 -5.14 119.74 123.27 3imi s LYS 121 Ca -0.06 0.22 -0.26 0.00 -1.56 0.00 0.00 55.97 54.30 3imi s LYS 121 Cb -0.14 -1.10 -0.09 0.00 -1.46 0.00 0.00 37.83 35.04 3imi s LYS 121 CO -0.01 -0.53 1.15 0.45 0.16 0.00 0.00 175.35 176.57 3imi s SER 122 N 2.23 6.70 -0.15 1.43 0.15 -1.26 -4.95 113.70 117.85 3imi s SER 122 Ca 0.04 2.33 0.15 0.00 0.70 0.00 0.00 55.95 59.16 3imi s SER 122 Cb -0.14 -2.62 0.38 0.00 -1.71 0.00 0.00 66.02 61.93 3imi s SER 122 CO -0.08 -0.55 1.19 1.41 1.20 0.00 0.00 173.24 176.41 3imi n HIS 123 N 0.31 0.00 -0.23 3.44 8.25 -1.26 -4.89 115.22 120.84 3imi n HIS 123 Ca 0.03 -1.16 0.03 0.00 -0.26 0.00 0.00 57.72 56.36 3imi n HIS 123 Cb 0.46 -0.21 0.14 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 0.81 0.14 0.00 -0.41 4.15 -1.96 -1.21 115.11 116.64 3imi h GLN 124 Ca -0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3imi h GLN 124 Cb 1.19 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3imi h GLN 124 CO 0.02 0.09 0.00 0.09 -1.93 0.00 0.00 178.83 177.10 3imi n ASN 125 N -5.28 0.00 -0.60 -0.69 5.03 -1.26 -2.46 115.26 110.00 3imi n ASN 125 Ca 0.12 0.32 0.13 0.00 0.87 0.00 0.00 54.58 56.02 3imi n ASN 125 Cb 0.42 -0.39 0.42 0.00 -1.02 0.00 0.00 39.78 39.21 3imi n ASN 125 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3imi n GLU 126 N -1.39 1.83 -4.83 3.52 1.02 -0.45 -4.87 120.64 115.47 3imi n GLU 126 Ca 0.03 -1.21 -0.25 0.00 -0.02 0.00 0.00 57.16 55.71 3imi n GLU 126 Cb 0.09 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.99 1.64 0.00 -0.32 2.02 -1.03 -5.10 117.35 112.57 3imi s TYR 127 Ca 0.35 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 3imi s TYR 127 Cb 0.21 -1.09 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 3imi s TYR 127 CO 0.32 -0.11 0.00 0.25 -1.57 0.00 0.00 175.55 174.44 3imi n THR 128 N 2.97 0.00 0.00 -0.71 -2.24 -1.26 -4.95 114.28 108.09 3imi n THR 128 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 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 -0.18 -0.78 2.13 -1.26 -1.92 120.64 118.63 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 0.03 0.00 0.27 0.00 0.00 31.44 31.74 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 0.62 -0.63 4.31 -0.26 -1.99 -2.01 115.58 115.62 3imi h ASN 131 Ca 0.00 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.68 3imi h ASN 131 Cb 0.00 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.08 3imi h ASN 131 CO 0.00 0.46 0.24 -0.07 -1.06 0.00 0.00 177.43 177.00 3imi h LEU 132 N 0.73 0.88 -0.58 1.61 3.38 -1.75 -0.95 115.31 118.63 3imi h LEU 132 Ca 0.20 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3imi h LEU 132 Cb -0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3imi h LEU 132 CO -0.04 0.82 0.34 -0.61 0.09 0.00 0.00 178.44 179.04 3imi h GLN 133 N 0.89 0.65 -0.29 1.13 4.15 -1.78 -1.31 115.11 118.55 3imi h GLN 133 Ca 0.21 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.46 3imi h GLN 133 Cb 0.22 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3imi h GLN 133 CO -0.02 0.43 -0.37 -0.91 -1.93 0.00 0.00 178.83 176.04 3imi h ASN 134 N 0.67 0.69 0.12 -0.69 2.35 -0.97 -1.32 115.58 116.43 3imi h ASN 134 Ca 0.24 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3imi h ASN 134 Cb 0.05 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3imi h ASN 134 CO -0.11 0.99 -0.06 0.40 -1.65 0.00 0.00 177.43 177.00 3imi h ILE 135 N 0.55 0.97 -0.72 2.81 2.04 -0.96 -1.07 117.51 121.13 3imi h ILE 135 Ca 0.05 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.57 3imi h ILE 135 Cb 0.88 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3imi h ILE 135 CO 0.08 0.09 0.47 0.00 0.00 0.00 0.00 178.15 178.79 3imi h ALA 136 N 0.52 0.91 -0.11 1.87 0.00 -1.18 -1.67 119.26 119.60 3imi h ALA 136 Ca -0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3imi h ALA 136 Cb 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3imi h ALA 136 CO 0.03 0.32 -0.57 0.66 0.00 0.00 0.00 179.25 179.69 3imi h SER 137 N 0.96 0.37 -0.42 0.00 4.64 -1.18 0.22 113.55 118.15 3imi h SER 137 Ca 0.26 -0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3imi h SER 137 Cb -0.10 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3imi h SER 137 CO -0.06 0.87 0.28 0.74 -0.87 0.00 0.00 176.83 177.78 3imi h THR 138 N 0.25 1.10 -0.22 2.95 2.02 -0.72 -0.94 112.91 117.36 3imi h THR 138 Ca -0.00 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 3imi h THR 138 Cb 1.08 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3imi h THR 138 CO 0.09 0.10 -0.19 0.40 0.37 0.00 0.00 175.52 176.30 3imi h ILE 139 N 0.56 1.32 -0.96 3.11 2.04 -1.11 -3.20 117.51 119.28 3imi h ILE 139 Ca 0.15 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.72 3imi h ILE 139 Cb -0.06 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3imi h ILE 139 CO -0.04 0.41 0.62 0.00 0.00 0.00 0.00 178.15 179.15 3imi h ALA 140 N 0.67 1.28 0.00 1.87 0.00 -0.31 -1.53 119.26 121.24 3imi h ALA 140 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3imi h ALA 140 Cb 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3imi h ALA 140 CO 0.05 0.47 0.00 0.09 0.00 0.00 0.00 179.25 179.86 3imi n ASN 141 N -4.49 0.00 -0.48 0.00 3.02 -0.38 -2.70 115.26 110.24 3imi n ASN 141 Ca 0.13 -0.19 0.07 0.00 -0.03 0.00 0.00 54.58 54.57 3imi n ASN 141 Cb 0.12 -0.25 0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.25 1.91 -4.66 6.41 2.88 -0.60 -4.97 113.62 113.34 3imi n SER 142 Ca 0.14 -1.46 -0.43 0.00 -1.33 0.00 0.00 58.87 55.79 3imi n SER 142 Cb 0.20 0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.49 4.38 -2.20 2.46 1.01 -1.05 -5.09 120.40 118.42 3imi s VAL 143 Ca 0.15 1.67 0.18 0.00 0.00 0.00 0.00 61.98 63.97 3imi s VAL 143 Cb 0.12 -4.08 0.14 0.00 0.00 0.00 0.00 36.38 32.56 3imi s VAL 143 CO 0.27 -0.15 1.06 0.29 0.00 0.00 0.00 175.10 176.57