#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf8 n HIS 21 N 0.00 0.08 -4.02 1.20 1.44 -1.26 -4.84 115.22 107.83 3kf8 n HIS 21 Ca 0.00 -0.04 -0.35 0.00 -2.01 0.00 0.00 57.72 55.32 3kf8 n HIS 21 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 3kf8 n HIS 21 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3kf8 s ILE 22 N -1.92 3.59 -0.04 0.61 1.01 -1.26 -1.72 121.20 121.46 3kf8 s ILE 22 Ca 0.34 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 3kf8 s ILE 22 Cb 0.20 -2.62 -0.15 0.00 0.01 0.00 0.00 42.46 39.90 3kf8 s ILE 22 CO 0.31 0.43 0.88 0.00 0.00 0.00 0.00 174.94 176.56 3kf8 s LEU 24 N -9.06 1.23 -0.16 0.00 0.20 -0.85 -5.00 118.68 105.04 3kf8 s LEU 24 Ca -0.12 -0.10 -0.09 0.00 0.69 0.00 0.00 54.13 54.50 3kf8 s LEU 24 Cb 0.01 -0.40 -0.05 0.00 -0.43 0.00 0.00 46.19 45.32 3kf8 s LEU 24 CO 0.45 -0.08 0.15 -0.75 -0.29 0.00 0.00 176.35 175.84 3kf8 s LYS 25 N 1.04 3.90 0.08 1.98 2.47 -1.26 -0.72 119.74 127.23 3kf8 s LYS 25 Ca -0.09 -0.15 0.02 0.00 -1.56 0.00 0.00 55.97 54.19 3kf8 s LYS 25 Cb -0.14 -3.33 -0.04 0.00 -1.46 0.00 0.00 37.83 32.86 3kf8 s LYS 25 CO -0.01 0.49 -0.07 0.99 0.16 0.00 0.00 175.35 176.91 3kf8 s THR 26 N -0.20 0.64 0.29 3.43 2.01 -0.79 -5.02 115.64 116.01 3kf8 s THR 26 Ca 0.12 -1.72 0.28 0.00 0.31 0.00 0.00 61.69 60.68 3kf8 s THR 26 Cb -0.12 -1.41 0.29 0.00 0.01 0.00 0.00 72.50 71.27 3kf8 s THR 26 CO 0.01 -0.76 1.99 1.55 -0.69 0.00 0.00 174.62 176.72 3kf8 h PRO 27 N 3.35 0.00 0.00 4.92 0.13 -2.05 -3.14 132.00 135.22 3kf8 h PRO 27 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3kf8 h PRO 27 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kf8 h PRO 27 CO 0.59 0.14 -1.15 1.19 -0.23 0.00 0.00 178.00 178.54 3kf8 n PHE 28 N -3.46 0.24 -3.63 1.56 3.01 -1.26 -5.01 117.46 108.90 3kf8 n PHE 28 Ca -0.01 0.07 -0.03 0.00 1.01 0.00 0.00 57.45 58.49 3kf8 n PHE 28 Cb 0.31 -0.43 -0.02 0.00 -0.01 0.00 0.00 39.48 39.33 3kf8 n PHE 28 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 3kf8 s LYS 29 N -3.23 0.09 -0.07 -1.08 -2.85 -1.19 -4.67 119.74 106.74 3kf8 s LYS 29 Ca 0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 55.97 54.97 3kf8 s LYS 29 Cb 0.14 0.04 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 3kf8 s LYS 29 CO 0.82 -0.04 -0.03 -0.80 0.10 0.00 0.00 175.35 175.40 3kf8 s ASN 30 N -1.88 4.95 -0.49 0.03 0.01 -1.26 -1.89 114.94 114.41 3kf8 s ASN 30 Ca 0.11 0.05 -0.13 0.00 -0.71 0.00 0.00 52.86 52.18 3kf8 s ASN 30 Cb -0.01 -1.32 0.10 0.00 0.41 0.00 0.00 41.25 40.44 3kf8 s ASN 30 CO -0.04 0.36 0.40 -0.36 -1.51 0.00 0.00 177.10 175.95 3kf8 s PHE 31 N -0.88 3.30 0.61 2.20 0.40 0.10 -4.93 117.98 118.79 3kf8 s PHE 31 Ca 0.14 -1.37 -0.13 0.00 -0.60 0.00 0.00 56.93 54.96 3kf8 s PHE 31 Cb -0.11 -3.43 -0.04 0.00 0.51 0.00 0.00 43.02 39.96 3kf8 s PHE 31 CO 0.03 -0.93 1.03 0.71 0.70 0.00 0.00 175.22 176.76 3kf8 s TYR 32 N 1.53 3.32 0.68 0.36 1.51 -1.26 0.11 117.35 123.59 3kf8 s TYR 32 Ca 0.04 1.42 -0.17 0.00 -1.01 0.00 0.00 57.07 57.35 3kf8 s TYR 32 Cb -0.26 -2.84 0.01 0.00 -0.11 0.00 0.00 41.96 38.76 3kf8 s TYR 32 CO 0.03 -0.83 1.26 0.14 -1.11 0.00 0.00 175.55 175.04 3kf8 s VAL 33 N -2.85 2.12 0.53 0.71 -7.23 -0.70 -4.58 120.40 108.41 3kf8 s VAL 33 Ca 0.59 0.07 0.28 0.00 -1.81 0.00 0.00 61.98 61.10 3kf8 s VAL 33 Cb -0.13 -2.87 0.44 0.00 0.56 0.00 0.00 36.38 34.38 3kf8 s VAL 33 CO 0.45 -0.02 1.95 -0.29 -0.31 0.00 0.00 175.10 176.87 3kf8 h ILE 34 N 0.20 0.65 0.00 -0.62 2.10 -1.95 -1.99 117.51 115.89 3kf8 h ILE 34 Ca -0.50 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.44 3kf8 h ILE 34 Cb 1.32 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 3kf8 h ILE 34 CO 0.52 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.97 3kf8 n GLU 35 N -4.33 0.17 -0.00 2.19 4.71 -1.26 -2.35 120.64 119.76 3kf8 n GLU 35 Ca 0.14 0.47 0.10 0.00 -0.01 0.00 0.00 57.16 57.86 3kf8 n GLU 35 Cb 0.77 -1.87 -0.11 0.00 -1.01 0.00 0.00 31.44 29.23 3kf8 n GLU 35 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3kf8 n LEU 36 N -2.19 0.89 -0.31 -4.62 4.77 -0.75 -4.46 117.00 110.33 3kf8 n LEU 36 Ca 0.01 -0.43 0.13 0.00 -0.03 0.00 0.00 56.01 55.69 3kf8 n LEU 36 Cb 0.17 -0.01 0.30 0.00 -2.33 0.00 0.00 43.42 41.55 3kf8 n LEU 36 CO 0.16 0.22 1.07 -0.26 -1.33 0.00 0.00 177.39 177.25 3kf8 h PHE 37 N 0.00 0.72 -0.00 -1.77 -1.00 -1.58 0.26 116.94 113.57 3kf8 h PHE 37 Ca 0.00 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.82 3kf8 h PHE 37 Cb 0.55 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 3kf8 h PHE 37 CO 0.00 0.01 0.01 1.12 -1.61 0.00 0.00 178.31 177.84 3kf8 h HIS 38 N 0.46 0.00 -0.24 -0.55 2.07 -1.79 -0.75 115.15 114.36 3kf8 h HIS 38 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 3kf8 h HIS 38 Cb 1.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.99 3kf8 h HIS 38 CO -0.11 0.00 0.00 1.04 -3.07 0.00 0.00 177.93 175.79 3kf8 n GLN 39 N -3.51 1.95 -2.75 5.12 6.02 0.92 -4.88 117.38 120.25 3kf8 n GLN 39 Ca -0.03 -1.43 -0.35 0.00 -0.01 0.00 0.00 57.00 55.19 3kf8 n GLN 39 Cb 0.08 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 3kf8 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kf8 s ALA 40 N -1.69 3.07 -0.10 -1.58 0.00 -0.29 -4.94 121.76 116.23 3kf8 s ALA 40 Ca 0.33 0.49 0.29 0.00 0.00 0.00 0.00 51.96 53.08 3kf8 s ALA 40 Cb 0.18 -3.19 1.33 0.00 0.00 0.00 0.00 23.12 21.45 3kf8 s ALA 40 CO 0.27 0.05 1.87 -1.00 0.00 0.00 0.00 175.76 176.95 3kf8 h PRO 41 N 2.29 0.00 0.00 0.00 0.13 -1.90 -2.88 132.00 129.64 3kf8 h PRO 41 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kf8 h PRO 41 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kf8 h PRO 41 CO 0.62 0.00 -1.28 0.25 -0.23 0.00 0.00 178.00 177.36 3kf8 n THR 42 N -2.60 0.18 -2.30 1.56 -2.24 -1.26 -4.88 114.28 102.73 3kf8 n THR 42 Ca 0.00 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.07 3kf8 n THR 42 Cb 0.19 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 3kf8 n THR 42 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3kf8 s PHE 43 N -3.29 3.04 -1.40 4.78 5.36 -1.09 -3.40 117.98 121.98 3kf8 s PHE 43 Ca 0.00 1.56 -0.08 0.00 -0.96 0.00 0.00 56.93 57.45 3kf8 s PHE 43 Cb 0.14 -3.37 0.05 0.00 -0.34 0.00 0.00 43.02 39.49 3kf8 s PHE 43 CO 0.84 -1.31 0.56 -0.25 -1.46 0.00 0.00 175.22 173.60 3kf8 n ASP 44 N -0.06 -4.72 -3.69 6.13 8.00 -1.26 -4.95 116.55 116.00 3kf8 n ASP 44 Ca 0.05 -0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.06 3kf8 n ASP 44 Cb 0.47 -3.85 -0.13 0.00 -0.02 0.00 0.00 41.12 37.59 3kf8 n ASP 44 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kf8 s LYS 45 N -5.91 0.17 -0.21 -1.24 2.20 -1.22 -5.00 119.74 108.52 3kf8 s LYS 45 Ca 0.37 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.36 3kf8 s LYS 45 Cb -0.18 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.02 3kf8 s LYS 45 CO 0.46 -0.24 1.92 0.99 -0.36 0.00 0.00 175.35 178.12 3kf8 s THR 46 N 1.97 3.31 0.02 3.43 2.01 -1.26 -4.52 115.64 120.61 3kf8 s THR 46 Ca -0.03 0.33 0.09 0.00 0.31 0.00 0.00 61.69 62.39 3kf8 s THR 46 Cb -0.11 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3kf8 s THR 46 CO -0.09 -0.19 -0.26 0.27 -0.69 0.00 0.00 174.62 173.67 3kf8 s ILE 47 N 6.61 2.14 -0.42 1.82 -4.36 -1.17 -4.88 121.20 120.94 3kf8 s ILE 47 Ca 0.86 -1.30 -0.29 0.00 -0.26 0.00 0.00 60.65 59.66 3kf8 s ILE 47 Cb -0.29 -1.80 0.01 0.00 1.25 0.00 0.00 42.46 41.62 3kf8 s ILE 47 CO 0.34 0.43 1.40 -2.16 0.24 0.00 0.00 174.94 175.19 3kf8 s PRO 48 N -1.05 3.57 0.35 0.37 0.04 -1.26 -1.94 135.00 135.08 3kf8 s PRO 48 Ca 0.11 0.91 0.09 0.00 0.04 0.00 0.00 61.00 62.15 3kf8 s PRO 48 Cb -0.10 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 3kf8 s PRO 48 CO 0.01 -1.57 0.03 -0.51 0.04 0.00 0.00 177.00 175.01 3kf8 s LEU 49 N 5.41 3.01 0.16 -3.56 1.43 -0.15 -4.79 118.68 120.18 3kf8 s LEU 49 Ca 0.61 -1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 3kf8 s LEU 49 Cb -0.13 -1.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 3kf8 s LEU 49 CO 0.33 -0.27 0.54 -0.36 0.23 0.00 0.00 176.35 176.81 3kf8 s PHE 50 N -2.53 3.57 0.23 0.29 0.40 -1.26 -4.61 117.98 114.07 3kf8 s PHE 50 Ca 0.35 1.00 -0.07 0.00 -0.60 0.00 0.00 56.93 57.62 3kf8 s PHE 50 Cb 0.00 -2.33 0.20 0.00 0.51 0.00 0.00 43.02 41.41 3kf8 s PHE 50 CO 0.20 0.41 1.79 0.82 0.70 0.00 0.00 175.22 179.14 3kf8 h ILE 51 N 2.65 1.26 -0.81 0.64 2.04 -1.89 -2.84 117.51 118.56 3kf8 h ILE 51 Ca -0.48 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 64.59 3kf8 h ILE 51 Cb 1.19 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3kf8 h ILE 51 CO 0.66 0.33 0.53 -1.28 0.00 0.00 0.00 178.15 178.40 3kf8 h SER 52 N 1.12 0.88 0.50 1.72 0.87 -1.77 -0.70 113.55 116.18 3kf8 h SER 52 Ca 0.26 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 3kf8 h SER 52 Cb 0.22 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3kf8 h SER 52 CO -0.02 0.62 -0.30 0.44 -0.53 0.00 0.00 176.83 177.04 3kf8 h ASP 53 N 1.03 0.00 0.01 6.23 3.32 -1.83 -0.49 116.42 124.69 3kf8 h ASP 53 Ca 0.31 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3kf8 h ASP 53 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3kf8 h ASP 53 CO -0.08 0.30 -0.00 0.40 -1.72 0.00 0.00 179.24 178.13 3kf8 h ILE 54 N 0.00 1.59 0.00 0.35 2.04 -1.19 -3.19 117.51 117.11 3kf8 h ILE 54 Ca -0.00 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.99 3kf8 h ILE 54 Cb 0.63 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 3kf8 h ILE 54 CO 0.04 0.48 0.00 0.78 0.00 0.00 0.00 178.15 179.45 3kf8 h ASN 55 N -0.82 0.00 -0.26 1.72 2.35 -1.00 -2.35 115.58 115.22 3kf8 h ASN 55 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kf8 h ASN 55 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3kf8 h ASN 55 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3kf8 n ASN 56 N -3.04 2.58 -4.77 5.81 3.02 -0.21 -4.90 115.26 113.75 3kf8 n ASN 56 Ca -0.01 -1.86 -0.38 0.00 -0.03 0.00 0.00 54.58 52.30 3kf8 n ASN 56 Cb 0.21 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 3kf8 n ASN 56 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kf8 s SER 57 N -1.55 6.29 0.67 6.41 1.04 -0.89 -4.97 113.70 120.70 3kf8 s SER 57 Ca 0.35 2.40 -0.17 0.00 0.48 0.00 0.00 55.95 59.01 3kf8 s SER 57 Cb 0.20 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.71 3kf8 s SER 57 CO 0.29 -0.84 1.21 -2.16 0.98 0.00 0.00 173.24 172.72 3kf8 s PRO 58 N -2.47 2.54 -0.32 4.02 0.04 -1.26 -4.92 135.00 132.62 3kf8 s PRO 58 Ca 0.60 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 3kf8 s PRO 58 Cb -0.31 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3kf8 s PRO 58 CO 0.39 -1.54 1.62 1.21 0.04 0.00 0.00 177.00 178.72 3kf8 s ASN 59 N -1.85 6.18 0.63 6.66 3.04 -1.26 -4.81 114.94 123.53 3kf8 s ASN 59 Ca 0.76 1.25 0.42 0.00 0.04 0.00 0.00 52.86 55.33 3kf8 s ASN 59 Cb -0.30 -2.53 2.30 0.00 -1.54 0.00 0.00 41.25 39.18 3kf8 s ASN 59 CO 0.40 -1.49 2.30 -0.07 -3.04 0.00 0.00 177.10 175.20 3kf8 h LEU 60 N 12.61 0.00 -1.17 3.21 3.38 -1.92 0.39 115.31 131.81 3kf8 h LEU 60 Ca -0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 3kf8 h LEU 60 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3kf8 h LEU 60 CO 1.04 0.00 -0.38 1.88 0.09 0.00 0.00 178.44 181.07 3kf8 h TYR 61 N 0.00 0.00 0.00 1.13 -1.99 -1.85 -0.14 116.97 114.12 3kf8 h TYR 61 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kf8 h TYR 61 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 3kf8 h TYR 61 CO 0.00 0.38 0.00 0.78 -0.00 0.00 0.00 178.16 179.32 3kf8 h GLY 62 N 1.44 0.00 0.00 3.88 0.00 -1.00 -1.59 103.07 105.81 3kf8 h GLY 62 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3kf8 h GLY 62 CO 0.05 0.00 -1.61 1.39 0.00 0.00 0.00 176.54 176.37 3kf8 n ILE 63 N -3.01 0.60 0.57 2.60 5.41 -0.99 -4.77 119.36 119.77 3kf8 n ILE 63 Ca -0.01 -0.16 0.12 0.00 1.00 0.00 0.00 62.75 63.70 3kf8 n ILE 63 Cb 0.21 -1.55 0.20 0.00 -0.71 0.00 0.00 39.64 37.79 3kf8 n ILE 63 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3kf8 n TYR 64 N -3.40 0.34 -2.66 1.39 4.02 -0.10 -4.90 117.16 111.85 3kf8 n TYR 64 Ca -0.21 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.51 3kf8 n TYR 64 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 3kf8 n TYR 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3kf8 n ASN 65 N 1.37 0.00 0.33 7.72 5.15 -0.60 -2.11 115.26 127.13 3kf8 n ASN 65 Ca 0.18 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.37 3kf8 n ASN 65 Cb 0.59 0.00 1.17 0.00 -0.53 0.00 0.00 39.78 41.00 3kf8 n ASN 65 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 3kf8 h TYR 66 N 0.00 0.00 -0.00 1.20 -0.00 -1.93 -0.94 116.97 115.30 3kf8 h TYR 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3kf8 h TYR 66 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 3kf8 h TYR 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 178.16 178.98 3kf8 h ILE 67 N 0.00 0.62 0.00 -0.90 1.08 -1.80 -1.80 117.51 114.70 3kf8 h ILE 67 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3kf8 h ILE 67 Cb 0.01 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 3kf8 h ILE 67 CO 0.00 0.00 0.16 0.00 -0.69 0.00 0.00 178.15 177.62 3kf8 h ALA 68 N 2.00 1.13 0.00 1.87 0.00 -1.31 0.50 119.26 123.45 3kf8 h ALA 68 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kf8 h ALA 68 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kf8 h ALA 68 CO -0.00 -0.13 -0.01 -0.44 0.00 0.00 0.00 179.25 178.67 3kf8 h ASP 69 N 0.00 0.00 -0.62 0.00 3.32 -1.55 -0.06 116.42 117.51 3kf8 h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kf8 h ASP 69 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kf8 h ASP 69 CO 0.00 0.01 0.00 1.41 -1.72 0.00 0.00 179.24 178.94 3kf8 n HIS 70 N -3.35 0.83 -0.25 4.55 8.25 0.17 -4.39 115.22 121.02 3kf8 n HIS 70 Ca -0.03 -0.48 0.02 0.00 -0.26 0.00 0.00 57.72 56.97 3kf8 n HIS 70 Cb 0.11 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.24 3kf8 n HIS 70 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kf8 n LEU 71 N 1.39 1.98 0.31 2.41 4.77 -0.04 -4.74 117.00 123.08 3kf8 n LEU 71 Ca 0.21 -2.13 0.18 0.00 -0.03 0.00 0.00 56.01 54.24 3kf8 n LEU 71 Cb 0.58 -0.08 0.95 0.00 -2.33 0.00 0.00 43.42 42.54 3kf8 n LEU 71 CO 0.15 0.52 1.15 0.03 -1.33 0.00 0.00 177.39 177.91 3kf8 h ARG 72 N 0.00 0.00 -0.69 3.23 2.47 -1.76 0.17 114.38 117.80 3kf8 h ARG 72 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kf8 h ARG 72 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3kf8 h ARG 72 CO 0.00 0.00 0.00 -2.39 0.56 0.00 0.00 179.97 178.14 3kf8 n HIS 73 N -3.12 1.02 -4.72 3.04 1.44 -1.26 0.67 115.22 112.29 3kf8 n HIS 73 Ca -0.01 -0.52 -0.25 0.00 -2.01 0.00 0.00 57.72 54.92 3kf8 n HIS 73 Cb 0.28 -0.04 -0.15 0.00 0.12 0.00 0.00 29.99 30.20 3kf8 n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3kf8 s VAL 74 N -1.15 1.54 0.03 0.61 1.01 0.60 -4.51 120.40 118.54 3kf8 s VAL 74 Ca 0.47 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3kf8 s VAL 74 Cb 0.26 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3kf8 s VAL 74 CO 0.30 0.27 -0.19 0.68 0.00 0.00 0.00 175.10 176.17 3kf8 s VAL 75 N -0.66 1.50 -0.43 2.92 -7.23 -0.54 -4.93 120.40 111.03 3kf8 s VAL 75 Ca 0.07 -1.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.03 3kf8 s VAL 75 Cb -0.08 -1.30 0.04 0.00 0.56 0.00 0.00 36.38 35.60 3kf8 s VAL 75 CO 0.01 0.21 0.33 -0.76 -0.31 0.00 0.00 175.10 174.58 3kf8 s LEU 76 N -1.00 5.29 -0.44 1.32 1.43 -1.26 -0.30 118.68 123.72 3kf8 s LEU 76 Ca 0.06 -1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 51.90 3kf8 s LEU 76 Cb -0.08 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 44.01 3kf8 s LEU 76 CO 0.01 -0.52 0.51 -0.69 0.23 0.00 0.00 176.35 175.89 3kf8 s VAL 77 N 1.65 5.01 0.00 -1.59 1.01 -0.25 -4.37 120.40 121.86 3kf8 s VAL 77 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3kf8 s VAL 77 Cb -0.21 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3kf8 s VAL 77 CO 0.08 -0.54 0.00 -3.20 0.00 0.00 0.00 175.10 171.44 3kf8 n ASN 78 N 5.81 0.00 -0.00 3.32 2.85 -1.26 -1.34 115.26 124.64 3kf8 n ASN 78 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 3kf8 n ASN 78 Cb 0.47 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.48 3kf8 n ASN 78 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3kf8 n ASN 79 N 6.04 4.75 -4.71 1.20 4.05 -1.26 -5.01 115.26 120.31 3kf8 n ASN 79 Ca 0.00 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.61 3kf8 n ASN 79 Cb 0.00 0.86 -0.03 0.00 1.23 0.00 0.00 39.78 41.84 3kf8 n ASN 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3kf8 s TYR 80 N -2.06 3.61 0.20 1.20 1.51 -0.45 -4.82 117.35 116.54 3kf8 s TYR 80 Ca -0.00 1.56 -0.30 0.00 -1.01 0.00 0.00 57.07 57.32 3kf8 s TYR 80 Cb 0.01 -3.05 -0.08 0.00 -0.11 0.00 0.00 41.96 38.72 3kf8 s TYR 80 CO 0.04 -0.03 1.14 -1.25 -1.11 0.00 0.00 175.55 174.34 3kf8 s PRO 81 N 1.18 4.56 -0.04 -1.71 0.04 -1.26 -1.09 135.00 136.67 3kf8 s PRO 81 Ca 0.47 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.32 3kf8 s PRO 81 Cb -0.20 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.12 3kf8 s PRO 81 CO 0.23 0.03 -0.03 0.08 0.04 0.00 0.00 177.00 177.35 3kf8 s VAL 82 N -0.33 0.45 0.00 -0.36 1.01 0.59 -3.46 120.40 118.30 3kf8 s VAL 82 Ca 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3kf8 s VAL 82 Cb -0.31 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3kf8 s VAL 82 CO 0.37 0.20 0.00 -0.46 0.00 0.00 0.00 175.10 175.21 3kf8 n ASN 83 N 4.03 0.67 -4.10 3.32 6.94 -1.26 -1.46 115.26 123.41 3kf8 n ASN 83 Ca -0.26 -0.21 -0.33 0.00 -0.02 0.00 0.00 54.58 53.77 3kf8 n ASN 83 Cb 0.51 0.55 -0.15 0.00 -2.36 0.00 0.00 39.78 38.32 3kf8 n ASN 83 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3kf8 s GLN 84 N -0.69 2.57 0.01 -3.83 -1.52 -1.26 -4.18 119.66 110.76 3kf8 s GLN 84 Ca 0.00 -1.13 0.09 0.00 -1.95 0.00 0.00 55.36 52.37 3kf8 s GLN 84 Cb 0.00 -2.77 -0.02 0.00 -0.22 0.00 0.00 33.01 30.00 3kf8 s GLN 84 CO 0.00 -0.42 -0.26 0.42 -0.25 0.00 0.00 175.29 174.78 3kf8 s ILE 85 N 1.19 2.11 -0.12 1.08 1.01 -0.53 -3.05 121.20 122.89 3kf8 s ILE 85 Ca -0.03 -1.26 0.02 0.00 0.00 0.00 0.00 60.65 59.38 3kf8 s ILE 85 Cb -0.17 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3kf8 s ILE 85 CO -0.08 0.47 -0.17 0.21 0.00 0.00 0.00 174.94 175.36 3kf8 s ASN 86 N -0.95 2.62 0.24 3.58 3.84 -0.82 -1.26 114.94 122.20 3kf8 s ASN 86 Ca 0.11 -0.48 0.01 0.00 0.21 0.00 0.00 52.86 52.72 3kf8 s ASN 86 Cb -0.10 -1.19 -0.04 0.00 -0.55 0.00 0.00 41.25 39.37 3kf8 s ASN 86 CO 0.01 0.03 0.15 0.27 -2.79 0.00 0.00 177.10 174.77 3kf8 s ILE 87 N 0.96 0.12 0.14 -5.21 -4.36 0.38 -0.98 121.20 112.24 3kf8 s ILE 87 Ca -0.06 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.20 3kf8 s ILE 87 Cb -0.15 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.05 3kf8 s ILE 87 CO -0.02 0.00 0.34 0.72 0.24 0.00 0.00 174.94 176.22 3kf8 s PHE 88 N -3.91 0.08 0.00 1.37 -0.12 -1.26 0.38 117.98 114.52 3kf8 s PHE 88 Ca 0.39 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.82 3kf8 s PHE 88 Cb 0.06 0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.56 3kf8 s PHE 88 CO 0.16 -0.71 0.00 0.41 -0.05 0.00 0.00 175.22 175.03 3kf8 n GLY 89 N -0.20 -0.70 3.89 1.99 0.00 -0.86 -4.44 105.19 104.87 3kf8 n GLY 89 Ca -0.12 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 3kf8 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kf8 s LYS 90 N -2.00 3.71 -0.27 1.61 1.02 -0.14 -1.72 119.74 121.94 3kf8 s LYS 90 Ca 0.00 0.16 -0.26 0.00 0.02 0.00 0.00 55.97 55.89 3kf8 s LYS 90 Cb 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3kf8 s LYS 90 CO 0.00 0.21 0.90 0.42 -0.92 0.00 0.00 175.35 175.96 3kf8 s ILE 91 N -2.04 4.74 -1.42 2.17 1.01 -0.59 -0.68 121.20 124.39 3kf8 s ILE 91 Ca 0.46 1.56 0.12 0.00 0.00 0.00 0.00 60.65 62.79 3kf8 s ILE 91 Cb -0.11 -4.21 0.14 0.00 0.01 0.00 0.00 42.46 38.29 3kf8 s ILE 91 CO 0.27 -0.22 0.95 1.33 0.00 0.00 0.00 174.94 177.27 3kf8 n VAL 92 N 5.47 0.17 -3.62 2.92 0.24 -0.29 -1.02 118.33 122.20 3kf8 n VAL 92 Ca 0.07 -0.59 -0.07 0.00 -2.04 0.00 0.00 64.34 61.72 3kf8 n VAL 92 Cb 0.47 1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 33.91 3kf8 n VAL 92 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3kf8 s TYR 93 N -1.01 -0.28 -0.03 6.34 5.04 -1.17 -4.97 117.35 121.27 3kf8 s TYR 93 Ca 0.16 0.61 -0.10 0.00 -2.44 0.00 0.00 57.07 55.29 3kf8 s TYR 93 Cb 0.11 0.44 0.02 0.00 0.35 0.00 0.00 41.96 42.87 3kf8 s TYR 93 CO 0.15 -0.19 0.23 -1.83 -1.34 0.00 0.00 175.55 172.58 3kf8 s GLU 94 N -0.42 0.49 -0.04 4.97 -1.05 -1.26 -1.77 118.70 119.63 3kf8 s GLU 94 Ca 0.03 -0.10 -0.03 0.00 -0.15 0.00 0.00 54.97 54.73 3kf8 s GLU 94 Cb -0.03 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 3kf8 s GLU 94 CO -0.06 -0.12 0.09 -1.14 0.95 0.00 0.00 175.26 174.99 3kf8 s GLN 95 N -0.91 0.08 -0.34 -4.83 0.74 0.11 -5.01 119.66 109.50 3kf8 s GLN 95 Ca -0.10 0.19 -0.08 0.00 0.05 0.00 0.00 55.36 55.41 3kf8 s GLN 95 Cb -0.05 -0.04 0.02 0.00 1.10 0.00 0.00 33.01 34.04 3kf8 s GLN 95 CO 0.02 -0.07 0.14 0.71 -0.55 0.00 0.00 175.29 175.54 3kf8 s TYR 96 N 0.44 3.21 0.03 1.67 4.12 -1.26 -1.26 117.35 124.30 3kf8 s TYR 96 Ca -0.03 -1.06 0.04 0.00 0.02 0.00 0.00 57.07 56.03 3kf8 s TYR 96 Cb -0.05 -2.33 -0.04 0.00 -1.52 0.00 0.00 41.96 38.03 3kf8 s TYR 96 CO -0.02 -0.63 -0.05 0.15 0.02 0.00 0.00 175.55 175.02 3kf8 s LYS 97 N 1.50 2.53 -0.32 -0.62 1.02 -0.38 -5.02 119.74 118.45 3kf8 s LYS 97 Ca 0.01 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.25 3kf8 s LYS 97 Cb -0.18 -2.51 0.14 0.00 -0.52 0.00 0.00 37.83 34.76 3kf8 s LYS 97 CO 0.04 0.58 0.31 -1.21 -0.92 0.00 0.00 175.35 174.15 3kf8 s GLU 98 N -1.68 0.44 -0.27 1.68 8.01 -1.26 -0.49 118.70 125.12 3kf8 s GLU 98 Ca 0.19 -0.49 0.07 0.00 0.01 0.00 0.00 54.97 54.75 3kf8 s GLU 98 Cb -0.11 -0.75 0.58 0.00 -4.31 0.00 0.00 34.13 29.54 3kf8 s GLU 98 CO 0.10 -1.10 1.61 1.63 0.01 0.00 0.00 175.26 177.51 3kf8 n LYS 99 N 4.86 2.99 -1.80 1.61 5.02 -1.24 -4.94 118.16 124.67 3kf8 n LYS 99 Ca 0.03 -2.42 -0.39 0.00 -2.02 0.00 0.00 58.31 53.51 3kf8 n LYS 99 Cb 0.45 -2.01 0.03 0.00 -0.02 0.00 0.00 35.03 33.47 3kf8 n LYS 99 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3kf8 s GLU 100 N -2.49 3.46 0.11 1.97 -1.05 -1.26 -4.76 118.70 114.69 3kf8 s GLU 100 Ca 0.44 2.34 0.10 0.00 -0.15 0.00 0.00 54.97 57.70 3kf8 s GLU 100 Cb 0.35 -2.49 -0.04 0.00 -0.44 0.00 0.00 34.13 31.51 3kf8 s GLU 100 CO 0.10 -0.97 -0.26 -0.59 0.95 0.00 0.00 175.26 174.50 3kf8 s PHE 101 N -1.25 2.20 -0.95 4.83 -0.12 -1.19 -4.92 117.98 116.59 3kf8 s PHE 101 Ca 0.65 -0.39 -0.24 0.00 -0.05 0.00 0.00 56.93 56.90 3kf8 s PHE 101 Cb -0.42 -1.22 -0.24 0.00 -0.63 0.00 0.00 43.02 40.51 3kf8 s PHE 101 CO 0.53 0.27 2.52 -1.71 -0.05 0.00 0.00 175.22 176.77 3kf8 n ASN 102 N 1.13 0.03 0.00 1.98 5.15 -1.26 -1.85 115.26 120.43 3kf8 n ASN 102 Ca -0.18 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 3kf8 n ASN 102 Cb 0.53 -0.90 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 3kf8 n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kf8 n GLY 103 N 6.20 2.46 3.03 8.20 0.00 -1.26 -5.05 105.19 118.77 3kf8 n GLY 103 Ca 0.63 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3kf8 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kf8 s VAL 104 N 0.00 1.99 1.21 1.61 1.01 -0.77 -5.12 120.40 120.33 3kf8 s VAL 104 Ca 0.00 -1.55 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 3kf8 s VAL 104 Cb 0.00 -2.16 0.29 0.00 0.00 0.00 0.00 36.38 34.51 3kf8 s VAL 104 CO 0.00 -0.07 1.05 -1.61 0.00 0.00 0.00 175.10 174.47 3kf8 s GLU 105 N 1.18 -1.28 -0.27 2.72 8.01 -1.26 -3.14 118.70 124.65 3kf8 s GLU 105 Ca -0.07 0.22 0.05 0.00 0.01 0.00 0.00 54.97 55.17 3kf8 s GLU 105 Cb -0.20 -1.56 0.18 0.00 -4.31 0.00 0.00 34.13 28.24 3kf8 s GLU 105 CO -0.06 -3.81 1.10 -0.85 0.01 0.00 0.00 175.26 171.65 3kf8 n GLU 106 N -4.88 0.59 -2.87 1.61 0.28 -1.26 -4.83 120.64 109.27 3kf8 n GLU 106 Ca 0.10 -0.90 -0.42 0.00 -0.16 0.00 0.00 57.16 55.78 3kf8 n GLU 106 Cb 0.58 0.06 -0.04 0.00 1.43 0.00 0.00 31.44 33.48 3kf8 n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3kf8 s SER 107 N -0.54 6.86 0.34 -1.84 1.04 -1.26 -3.67 113.70 114.62 3kf8 s SER 107 Ca 0.08 1.07 0.06 0.00 0.48 0.00 0.00 55.95 57.64 3kf8 s SER 107 Cb 0.19 -2.44 -0.07 0.00 0.10 0.00 0.00 66.02 63.80 3kf8 s SER 107 CO -0.05 -0.52 -0.01 -0.72 0.98 0.00 0.00 173.24 172.92 3kf8 s TYR 108 N 2.80 2.17 -0.09 5.02 -0.85 0.35 -2.79 117.35 123.97 3kf8 s TYR 108 Ca 0.36 -0.74 0.03 0.00 -0.52 0.00 0.00 57.07 56.20 3kf8 s TYR 108 Cb -0.15 -1.38 -0.01 0.00 0.38 0.00 0.00 41.96 40.79 3kf8 s TYR 108 CO 0.08 0.29 -0.19 0.08 -1.52 0.00 0.00 175.55 174.28 3kf8 s VAL 109 N -2.96 2.57 -0.17 -3.49 1.01 0.21 -1.25 120.40 116.32 3kf8 s VAL 109 Ca 0.33 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 3kf8 s VAL 109 Cb 0.07 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3kf8 s VAL 109 CO 0.15 0.56 -0.03 -0.63 0.00 0.00 0.00 175.10 175.15 3kf8 s ILE 110 N 0.00 3.85 0.14 2.22 -1.09 -0.39 -1.48 121.20 124.46 3kf8 s ILE 110 Ca -0.06 -0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.05 3kf8 s ILE 110 Cb -0.15 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 3kf8 s ILE 110 CO 0.05 0.48 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.35 3kf8 s LEU 111 N 0.53 2.46 -0.13 2.97 1.43 0.66 -0.72 118.68 125.87 3kf8 s LEU 111 Ca -0.03 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 3kf8 s LEU 111 Cb -0.14 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.61 3kf8 s LEU 111 CO 0.03 -0.21 -0.13 -0.69 0.23 0.00 0.00 176.35 175.58 3kf8 s VAL 112 N -2.58 1.43 0.10 -1.59 1.01 -0.73 0.89 120.40 118.94 3kf8 s VAL 112 Ca 0.12 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.64 3kf8 s VAL 112 Cb -0.02 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3kf8 s VAL 112 CO 0.03 0.43 -0.22 0.27 0.00 0.00 0.00 175.10 175.61 3kf8 s ILE 113 N 1.43 2.59 0.10 2.22 -4.36 -0.89 -1.14 121.20 121.16 3kf8 s ILE 113 Ca 0.03 -1.53 0.08 0.00 -0.26 0.00 0.00 60.65 58.96 3kf8 s ILE 113 Cb -0.13 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 3kf8 s ILE 113 CO -0.08 0.15 -0.20 -0.55 0.24 0.00 0.00 174.94 174.50 3kf8 s SER 114 N -1.93 2.43 -0.14 4.36 0.15 0.15 -2.35 113.70 116.37 3kf8 s SER 114 Ca 0.16 -0.69 0.10 0.00 0.70 0.00 0.00 55.95 56.22 3kf8 s SER 114 Cb -0.10 -0.13 -0.23 0.00 -1.71 0.00 0.00 66.02 63.85 3kf8 s SER 114 CO 0.07 0.03 0.30 0.47 1.20 0.00 0.00 173.24 175.32 3kf8 n ASP 115 N 1.07 0.94 -0.21 5.45 8.00 -0.46 -0.97 116.55 130.37 3kf8 n ASP 115 Ca -0.19 0.17 -0.03 0.00 0.71 0.00 0.00 54.79 55.45 3kf8 n ASP 115 Cb 0.54 0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.74 3kf8 n ASP 115 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kf8 n PHE 116 N -3.05 0.00 -4.00 1.24 3.01 -1.26 -4.99 117.46 108.42 3kf8 n PHE 116 Ca -0.29 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 57.93 3kf8 n PHE 116 Cb 1.08 -0.90 -0.17 0.00 -0.01 0.00 0.00 39.48 39.48 3kf8 n PHE 116 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3kf8 s ILE 117 N -1.96 0.77 0.00 4.37 1.01 -1.26 -5.06 121.20 119.07 3kf8 s ILE 117 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3kf8 s ILE 117 Cb 0.00 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.65 3kf8 s ILE 117 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.86 3kf8 n GLY 118 N 4.70 0.40 3.72 6.18 0.00 -1.26 -4.40 105.19 114.53 3kf8 n GLY 118 Ca -0.14 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3kf8 n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kf8 s ILE 119 N -1.76 4.20 -0.78 -0.61 1.01 -1.26 -3.91 121.20 118.09 3kf8 s ILE 119 Ca 0.00 1.72 -0.01 0.00 0.00 0.00 0.00 60.65 62.36 3kf8 s ILE 119 Cb 0.00 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 3kf8 s ILE 119 CO 0.00 0.21 0.71 0.47 0.00 0.00 0.00 174.94 176.33 3kf8 n ASP 120 N 3.19 -7.35 -2.08 3.58 8.00 -1.26 -4.66 116.55 115.97 3kf8 n ASP 120 Ca 0.05 -0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.15 3kf8 n ASP 120 Cb 0.48 -4.88 0.21 0.00 -0.02 0.00 0.00 41.12 36.90 3kf8 n ASP 120 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kf8 n SER 121 N -1.99 4.07 -4.33 -2.24 3.41 -1.25 -3.85 113.62 107.43 3kf8 n SER 121 Ca -0.04 -3.37 -0.30 0.00 -0.26 0.00 0.00 58.87 54.90 3kf8 n SER 121 Cb 0.53 -0.79 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 3kf8 n SER 121 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kf8 s LYS 122 N -3.00 1.82 -0.10 4.33 1.02 -1.26 -1.36 119.74 121.19 3kf8 s LYS 122 Ca 0.53 -1.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.32 3kf8 s LYS 122 Cb 0.44 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.83 3kf8 s LYS 122 CO 0.11 0.51 0.34 -1.50 -0.92 0.00 0.00 175.35 173.89 3kf8 s ILE 123 N -0.77 0.02 0.23 2.17 2.07 -0.99 -4.97 121.20 118.95 3kf8 s ILE 123 Ca 0.11 -0.13 -0.23 0.00 -1.41 0.00 0.00 60.65 58.99 3kf8 s ILE 123 Cb -0.10 -0.53 -0.09 0.00 0.13 0.00 0.00 42.46 41.87 3kf8 s ILE 123 CO 0.02 -0.07 0.80 -0.60 -1.91 0.00 0.00 174.94 173.17 3kf8 s ARG 124 N -0.25 4.45 0.03 3.50 3.52 -1.26 -2.09 118.95 126.85 3kf8 s ARG 124 Ca -0.04 1.09 0.03 0.00 -0.13 0.00 0.00 55.73 56.68 3kf8 s ARG 124 Cb -0.03 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 3kf8 s ARG 124 CO 0.02 0.43 -0.08 0.08 -0.81 0.00 0.00 175.30 174.93 3kf8 s VAL 125 N -1.42 0.63 -0.03 7.11 1.01 0.26 -1.29 120.40 126.67 3kf8 s VAL 125 Ca 0.42 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3kf8 s VAL 125 Cb -0.19 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3kf8 s VAL 125 CO 0.24 -0.17 -0.11 -0.60 0.00 0.00 0.00 175.10 174.46 3kf8 s ARG 126 N -1.09 1.12 0.17 2.72 3.52 -0.02 -0.25 118.95 125.12 3kf8 s ARG 126 Ca -0.04 -0.38 -0.15 0.00 -0.13 0.00 0.00 55.73 55.02 3kf8 s ARG 126 Cb -0.07 -1.03 0.02 0.00 -1.56 0.00 0.00 34.95 32.31 3kf8 s ARG 126 CO 0.00 0.16 0.45 -0.48 -0.81 0.00 0.00 175.30 174.62 3kf8 s LEU 127 N 0.09 0.33 0.47 -0.88 2.34 -0.55 -0.91 118.68 119.58 3kf8 s LEU 127 Ca -0.02 -0.52 -0.18 0.00 0.06 0.00 0.00 54.13 53.47 3kf8 s LEU 127 Cb -0.08 1.88 -0.09 0.00 -0.56 0.00 0.00 46.19 47.33 3kf8 s LEU 127 CO 0.01 -0.97 0.96 -0.94 -1.06 0.00 0.00 176.35 174.34 3kf8 s SER 128 N -2.88 6.77 0.50 1.48 1.04 -1.26 0.63 113.70 119.99 3kf8 s SER 128 Ca 0.09 1.61 0.19 0.00 0.48 0.00 0.00 55.95 58.33 3kf8 s SER 128 Cb 0.01 -2.52 1.26 0.00 0.10 0.00 0.00 66.02 64.87 3kf8 s SER 128 CO -0.04 -0.47 2.05 1.56 0.98 0.00 0.00 173.24 177.31 3kf8 h GLN 129 N 1.41 0.10 -0.28 4.02 4.20 -1.81 -0.58 115.11 122.17 3kf8 h GLN 129 Ca -0.48 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.16 3kf8 h GLN 129 Cb 1.18 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3kf8 h GLN 129 CO 0.61 0.07 -0.09 0.93 -0.67 0.00 0.00 178.83 179.68 3kf8 h GLU 130 N 0.10 0.56 -0.93 1.46 3.07 -1.92 0.30 114.58 117.22 3kf8 h GLU 130 Ca 0.17 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3kf8 h GLU 130 Cb 0.54 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.38 3kf8 h GLU 130 CO -0.02 0.77 0.61 1.96 -1.40 0.00 0.00 179.01 180.94 3kf8 h GLN 131 N 0.32 1.22 0.25 2.33 4.20 -1.54 0.14 115.11 122.02 3kf8 h GLN 131 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3kf8 h GLN 131 Cb 0.58 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3kf8 h GLN 131 CO 0.03 0.81 -0.12 0.35 -0.67 0.00 0.00 178.83 179.23 3kf8 h PHE 132 N 1.26 -0.31 -0.33 2.96 3.57 -0.82 -3.12 116.94 120.14 3kf8 h PHE 132 Ca 0.34 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3kf8 h PHE 132 Cb -0.15 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3kf8 h PHE 132 CO -0.01 -0.12 0.18 0.87 -2.23 0.00 0.00 178.31 177.00 3kf8 h LYS 133 N -0.43 0.47 -1.04 1.11 1.57 -0.14 -2.91 116.57 115.20 3kf8 h LYS 133 Ca -0.03 -0.06 0.27 0.00 -1.87 0.00 0.00 60.65 58.96 3kf8 h LYS 133 Cb 0.33 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.46 3kf8 h LYS 133 CO 0.06 0.40 0.68 1.49 -0.57 0.00 0.00 179.45 181.51 3kf8 h GLU 134 N 0.41 0.33 -0.24 3.15 4.81 -0.70 0.63 114.58 122.97 3kf8 h GLU 134 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3kf8 h GLU 134 Cb 0.08 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kf8 h GLU 134 CO -0.02 0.22 0.00 1.33 -0.73 0.00 0.00 179.01 179.81 3kf8 n VAL 135 N -4.56 0.32 -0.24 0.32 0.24 -1.18 -4.90 118.33 108.33 3kf8 n VAL 135 Ca 0.25 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3kf8 n VAL 135 Cb 0.91 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 3kf8 n VAL 135 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kf8 n GLY 136 N 1.09 0.86 3.66 7.63 0.00 0.21 -4.76 105.19 113.88 3kf8 n GLY 136 Ca 0.14 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3kf8 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kf8 s LEU 137 N 0.00 4.13 0.16 0.99 1.43 -1.10 -5.05 118.68 119.24 3kf8 s LEU 137 Ca 0.00 0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 53.20 3kf8 s LEU 137 Cb 0.00 -2.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 3kf8 s LEU 137 CO 0.00 -0.02 0.71 0.42 0.23 0.00 0.00 176.35 177.70 3kf8 s THR 138 N 1.22 4.50 -1.45 5.49 -4.23 -1.26 -4.01 115.64 115.91 3kf8 s THR 138 Ca 0.14 1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 62.02 3kf8 s THR 138 Cb -0.14 -4.02 0.05 0.00 1.34 0.00 0.00 72.50 69.73 3kf8 s THR 138 CO 0.06 0.46 2.32 0.18 -0.54 0.00 0.00 174.62 177.10 3kf8 n LEU 139 N 1.43 7.30 -0.71 4.79 4.77 -1.26 -4.35 117.00 128.97 3kf8 n LEU 139 Ca -0.06 -4.35 0.02 0.00 -0.03 0.00 0.00 56.01 51.59 3kf8 n LEU 139 Cb 0.50 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3kf8 n LEU 139 CO 0.44 1.43 0.23 -0.90 -1.33 0.00 0.00 177.39 177.27 3kf8 n ASP 140 N 4.80 0.45 -2.14 -1.43 5.75 -1.26 -5.00 116.55 117.72 3kf8 n ASP 140 Ca 0.56 -2.13 -0.16 0.00 -0.01 0.00 0.00 54.79 53.05 3kf8 n ASP 140 Cb 0.34 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 3kf8 n ASP 140 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kf8 n LYS 141 N -0.01 -1.80 -0.66 0.11 4.76 -1.26 -4.85 118.16 114.44 3kf8 n LYS 141 Ca 0.03 0.83 0.01 0.00 -2.87 0.00 0.00 58.31 56.30 3kf8 n LYS 141 Cb 0.80 -5.35 0.20 0.00 -1.84 0.00 0.00 35.03 28.84 3kf8 n LYS 141 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kf8 n LYS 142 N -2.64 1.84 -0.26 1.97 5.02 -1.26 -4.63 118.16 118.20 3kf8 n LYS 142 Ca -0.18 -3.13 0.11 0.00 -2.02 0.00 0.00 58.31 53.09 3kf8 n LYS 142 Cb 0.61 -1.75 0.25 0.00 -0.02 0.00 0.00 35.03 34.12 3kf8 n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kf8 n ASN 143 N -1.09 3.58 -4.70 4.39 4.13 -1.26 -4.97 115.26 115.35 3kf8 n ASN 143 Ca 0.27 -1.98 -0.44 0.00 1.68 0.00 0.00 54.58 54.12 3kf8 n ASN 143 Cb 0.91 -0.34 -0.02 0.00 -1.54 0.00 0.00 39.78 38.78 3kf8 n ASN 143 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kf8 n TYR 144 N 1.45 2.41 0.00 3.10 9.36 -1.26 -1.92 117.16 130.30 3kf8 n TYR 144 Ca 0.20 0.38 0.00 0.00 3.32 0.00 0.00 57.90 61.80 3kf8 n TYR 144 Cb 0.59 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 3kf8 n TYR 144 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kf8 n GLY 145 N 2.05 3.21 3.76 2.98 0.00 -0.19 -4.88 105.19 112.12 3kf8 n GLY 145 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3kf8 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kf8 s LYS 146 N -0.58 4.28 -0.17 1.61 1.02 -0.81 -4.18 119.74 120.91 3kf8 s LYS 146 Ca 0.00 2.30 -0.16 0.00 0.02 0.00 0.00 55.97 58.12 3kf8 s LYS 146 Cb 0.00 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 3kf8 s LYS 146 CO 0.00 -0.36 0.41 0.42 -0.92 0.00 0.00 175.35 174.90 3kf8 s ILE 147 N -0.45 5.21 0.16 2.17 1.01 -0.76 -1.53 121.20 127.01 3kf8 s ILE 147 Ca 0.56 0.77 0.03 0.00 0.00 0.00 0.00 60.65 62.01 3kf8 s ILE 147 Cb -0.42 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3kf8 s ILE 147 CO 0.48 0.29 -0.06 0.68 0.00 0.00 0.00 174.94 176.33 3kf8 s VAL 148 N 0.97 1.00 -0.05 2.92 -7.23 -0.70 -0.97 120.40 116.34 3kf8 s VAL 148 Ca 0.21 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.39 3kf8 s VAL 148 Cb -0.15 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3kf8 s VAL 148 CO 0.08 -0.62 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.39 3kf8 s GLU 149 N -3.81 1.80 0.14 4.82 2.12 -0.14 -2.02 118.70 121.61 3kf8 s GLU 149 Ca 0.20 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 55.05 3kf8 s GLU 149 Cb 0.04 -1.51 -0.04 0.00 0.26 0.00 0.00 34.13 32.88 3kf8 s GLU 149 CO 0.02 0.15 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.25 3kf8 s LEU 150 N 0.29 2.47 0.01 2.70 1.43 0.16 -1.54 118.68 124.20 3kf8 s LEU 150 Ca -0.09 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.12 3kf8 s LEU 150 Cb -0.13 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 3kf8 s LEU 150 CO 0.03 -0.19 -0.04 -1.61 0.23 0.00 0.00 176.35 174.77 3kf8 s GLU 151 N -3.13 0.31 0.00 1.70 2.02 -0.58 -0.47 118.70 118.55 3kf8 s GLU 151 Ca 0.14 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.73 3kf8 s GLU 151 Cb -0.02 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.07 3kf8 s GLU 151 CO 0.03 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.75 3kf8 n GLY 152 N 2.26 -1.63 3.96 -1.39 0.00 -0.39 -0.91 105.19 107.10 3kf8 n GLY 152 Ca -0.18 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 3kf8 n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kf8 s GLU 153 N -1.48 3.18 0.08 1.61 2.02 -0.92 -1.45 118.70 121.74 3kf8 s GLU 153 Ca 0.00 -0.96 0.08 0.00 0.02 0.00 0.00 54.97 54.11 3kf8 s GLU 153 Cb 0.00 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 3kf8 s GLU 153 CO 0.00 0.20 -0.20 -1.50 0.02 0.00 0.00 175.26 173.78 3kf8 s ILE 154 N -2.12 1.65 -0.06 -1.63 2.07 -1.26 -0.28 121.20 119.56 3kf8 s ILE 154 Ca 0.41 -1.39 0.05 0.00 -1.41 0.00 0.00 60.65 58.31 3kf8 s ILE 154 Cb -0.09 -1.48 -0.01 0.00 0.13 0.00 0.00 42.46 41.02 3kf8 s ILE 154 CO 0.30 0.03 -0.23 -0.47 -1.91 0.00 0.00 174.94 172.66 3kf8 s TYR 155 N -1.02 2.28 -0.11 3.50 5.04 -0.40 -4.27 117.35 122.36 3kf8 s TYR 155 Ca 0.06 -0.74 0.03 0.00 -2.44 0.00 0.00 57.07 53.98 3kf8 s TYR 155 Cb -0.09 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.70 3kf8 s TYR 155 CO 0.03 -0.26 -0.22 -0.80 -1.34 0.00 0.00 175.55 172.96 3kf8 s ASN 156 N 0.03 3.21 -1.32 4.32 0.01 0.21 -2.12 114.94 119.28 3kf8 s ASN 156 Ca -0.08 -0.54 -0.06 0.00 -0.71 0.00 0.00 52.86 51.47 3kf8 s ASN 156 Cb -0.14 -1.44 0.10 0.00 0.41 0.00 0.00 41.25 40.17 3kf8 s ASN 156 CO 0.05 0.14 2.45 0.79 -1.51 0.00 0.00 177.10 179.02 3kf8 n TRP 157 N 3.63 2.54 -1.69 2.20 8.01 -0.38 -4.73 117.44 127.03 3kf8 n TRP 157 Ca -0.19 -2.82 -0.44 0.00 -1.31 0.00 0.00 57.50 52.74 3kf8 n TRP 157 Cb 0.53 -1.88 -0.03 0.00 -2.01 0.00 0.00 31.31 27.92 3kf8 n TRP 157 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3kf8 n TYR 158 N 1.86 2.41 -3.08 -5.99 0.53 -1.26 -4.21 117.16 107.41 3kf8 n TYR 158 Ca 0.64 0.30 -0.41 0.00 -1.02 0.00 0.00 57.90 57.40 3kf8 n TYR 158 Cb 0.26 -2.54 -0.06 0.00 -1.03 0.00 0.00 39.34 35.97 3kf8 n TYR 158 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3kf8 s ASP 159 N 0.62 6.55 0.00 7.72 -1.08 -1.26 -4.93 116.67 124.28 3kf8 s ASP 159 Ca 0.71 0.53 0.29 0.00 -0.52 0.00 0.00 52.55 53.56 3kf8 s ASP 159 Cb -0.61 -2.35 1.28 0.00 -1.46 0.00 0.00 42.92 39.78 3kf8 s ASP 159 CO 0.44 -0.49 1.92 -1.54 0.52 0.00 0.00 175.17 176.02 3kf8 n SER 160 N 5.91 0.12 -0.11 -0.34 3.41 -1.26 -3.79 113.62 117.56 3kf8 n SER 160 Ca 0.00 0.04 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 3kf8 n SER 160 Cb 0.49 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 3kf8 n SER 160 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3kf8 n ILE 161 N -1.34 1.21 -3.46 -1.33 5.41 -1.26 -4.64 119.36 113.95 3kf8 n ILE 161 Ca 0.11 -0.44 -0.39 0.00 1.00 0.00 0.00 62.75 63.03 3kf8 n ILE 161 Cb 0.29 -1.32 -0.04 0.00 -0.71 0.00 0.00 39.64 37.86 3kf8 n ILE 161 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3kf8 n ASN 162 N -3.24 4.86 0.31 4.38 3.02 -1.25 -4.92 115.26 118.41 3kf8 n ASN 162 Ca -0.38 -3.16 0.15 0.00 -0.03 0.00 0.00 54.58 51.16 3kf8 n ASN 162 Cb 0.88 -1.16 0.78 0.00 -0.61 0.00 0.00 39.78 39.68 3kf8 n ASN 162 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3kf8 h VAL 163 N 3.79 0.04 -0.02 2.41 2.07 -1.83 -1.91 116.25 120.80 3kf8 h VAL 163 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3kf8 h VAL 163 Cb 0.79 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kf8 h VAL 163 CO 0.97 0.00 -0.15 -1.54 0.02 0.00 0.00 177.57 176.87 3kf8 n SER 164 N -2.96 2.04 -4.75 0.57 3.41 -1.26 -3.75 113.62 106.92 3kf8 n SER 164 Ca -0.01 -1.52 -0.41 0.00 -0.26 0.00 0.00 58.87 56.67 3kf8 n SER 164 Cb 0.43 0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 3kf8 n SER 164 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kf8 s LYS 165 N -1.62 4.56 0.28 4.33 2.20 -0.72 -4.87 119.74 123.90 3kf8 s LYS 165 Ca 0.17 1.84 -0.30 0.00 -0.36 0.00 0.00 55.97 57.33 3kf8 s LYS 165 Cb 0.13 -3.21 -0.10 0.00 -1.51 0.00 0.00 37.83 33.14 3kf8 s LYS 165 CO 0.30 0.06 1.40 0.15 -0.36 0.00 0.00 175.35 176.89 3kf8 s LYS 166 N -0.87 4.29 0.53 4.03 3.01 -1.26 -4.66 119.74 124.82 3kf8 s LYS 166 Ca 0.48 2.28 -0.06 0.00 -1.01 0.00 0.00 55.97 57.66 3kf8 s LYS 166 Cb -0.32 -3.10 -0.02 0.00 -1.01 0.00 0.00 37.83 33.38 3kf8 s LYS 166 CO 0.39 -0.35 0.84 -1.25 0.51 0.00 0.00 175.35 175.50 3kf8 s PRO 167 N -0.84 3.29 0.26 -1.68 0.04 -1.26 -4.94 135.00 129.87 3kf8 s PRO 167 Ca 0.56 0.14 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 3kf8 s PRO 167 Cb -0.41 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 3kf8 s PRO 167 CO 0.47 -0.42 0.75 0.34 0.04 0.00 0.00 177.00 178.18 3kf8 s ASP 168 N -4.19 7.00 0.06 6.66 2.15 -1.26 -4.88 116.67 122.20 3kf8 s ASP 168 Ca 0.50 1.43 -0.00 0.00 0.43 0.00 0.00 52.55 54.91 3kf8 s ASP 168 Cb -0.10 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 3kf8 s ASP 168 CO 0.45 -0.05 -0.04 -0.13 -0.17 0.00 0.00 175.17 175.23 3kf8 s ARG 169 N -2.29 0.61 -0.17 4.34 0.52 -1.26 -1.24 118.95 119.46 3kf8 s ARG 169 Ca 0.47 -1.13 -0.10 0.00 -0.52 0.00 0.00 55.73 54.45 3kf8 s ARG 169 Cb -0.15 0.08 0.06 0.00 0.52 0.00 0.00 34.95 35.46 3kf8 s ARG 169 CO 0.20 -0.07 0.42 -2.00 0.02 0.00 0.00 175.30 173.87 3kf8 s GLU 170 N -3.43 0.42 -0.20 3.54 2.12 -0.90 -4.15 118.70 116.11 3kf8 s GLU 170 Ca 0.04 0.78 -0.17 0.00 0.36 0.00 0.00 54.97 55.98 3kf8 s GLU 170 Cb 0.04 0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 3kf8 s GLU 170 CO -0.07 -0.14 0.43 -1.17 -0.54 0.00 0.00 175.26 173.77 3kf8 s LEU 171 N 1.24 4.16 -0.52 2.70 2.96 -0.41 -1.27 118.68 127.53 3kf8 s LEU 171 Ca -0.08 0.57 -0.21 0.00 -0.22 0.00 0.00 54.13 54.18 3kf8 s LEU 171 Cb -0.07 -2.57 0.05 0.00 0.50 0.00 0.00 46.19 44.09 3kf8 s LEU 171 CO -0.11 -0.10 0.77 -0.75 -1.32 0.00 0.00 176.35 174.84 3kf8 s LYS 172 N 1.37 3.23 0.06 1.98 2.47 0.61 -0.84 119.74 128.62 3kf8 s LYS 172 Ca 0.21 -0.57 -0.31 0.00 -1.56 0.00 0.00 55.97 53.74 3kf8 s LYS 172 Cb -0.15 -4.07 -0.07 0.00 -1.46 0.00 0.00 37.83 32.09 3kf8 s LYS 172 CO 0.08 -1.32 1.36 0.08 0.16 0.00 0.00 175.35 175.71 3kf8 s VAL 173 N 3.23 3.58 -0.18 4.02 1.01 -0.09 -2.16 120.40 129.81 3kf8 s VAL 173 Ca 0.22 1.09 0.09 0.00 0.00 0.00 0.00 61.98 63.38 3kf8 s VAL 173 Cb -0.16 -3.70 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 3kf8 s VAL 173 CO 0.16 0.05 0.28 -1.54 0.00 0.00 0.00 175.10 174.05 3kf8 n SER 174 N 4.46 1.88 -3.67 3.32 3.41 -0.08 -4.84 113.62 118.10 3kf8 n SER 174 Ca 0.12 -0.28 -0.10 0.00 -0.26 0.00 0.00 58.87 58.35 3kf8 n SER 174 Cb 0.43 1.27 -0.09 0.00 -0.26 0.00 0.00 64.21 65.56 3kf8 n SER 174 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kf8 s LYS 175 N -2.35 0.59 0.00 4.33 2.20 -0.98 -5.00 119.74 118.52 3kf8 s LYS 175 Ca -0.01 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.61 3kf8 s LYS 175 Cb 0.06 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.50 3kf8 s LYS 175 CO 0.39 -0.14 -0.09 -1.50 -0.36 0.00 0.00 175.35 173.65 3kf8 s ILE 176 N 1.27 0.72 -0.01 5.43 2.07 -1.26 -1.52 121.20 127.90 3kf8 s ILE 176 Ca -0.08 -0.48 0.01 0.00 -1.41 0.00 0.00 60.65 58.69 3kf8 s ILE 176 Cb -0.06 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 41.91 3kf8 s ILE 176 CO -0.13 0.14 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.12 3kf8 s THR 177 N -0.35 0.24 -0.48 4.00 2.01 -0.59 -4.96 115.64 115.52 3kf8 s THR 177 Ca 0.02 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.72 3kf8 s THR 177 Cb -0.04 -0.22 0.05 0.00 0.01 0.00 0.00 72.50 72.30 3kf8 s THR 177 CO -0.00 0.08 0.57 -0.69 -0.69 0.00 0.00 174.62 173.89 3kf8 s VAL 178 N 0.04 4.94 -0.05 3.82 1.01 -1.26 -0.97 120.40 127.93 3kf8 s VAL 178 Ca 0.00 -0.45 0.31 0.00 0.00 0.00 0.00 61.98 61.84 3kf8 s VAL 178 Cb -0.02 -4.23 0.38 0.00 0.00 0.00 0.00 36.38 32.51 3kf8 s VAL 178 CO -0.00 -0.69 1.89 -0.07 0.00 0.00 0.00 175.10 176.22 3kf8 h LEU 179 N 9.50 0.00 -6.62 3.92 3.38 -1.38 -3.44 115.31 120.67 3kf8 h LEU 179 Ca -0.27 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.88 3kf8 h LEU 179 Cb 1.10 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.58 3kf8 h LEU 179 CO 0.92 0.00 0.43 -0.55 0.09 0.00 0.00 178.44 179.33 3kf8 s SER 180 N -5.81 -0.35 0.00 -0.43 0.15 -1.08 -4.99 113.70 101.20 3kf8 s SER 180 Ca 0.03 0.51 0.28 0.00 0.70 0.00 0.00 55.95 57.47 3kf8 s SER 180 Cb 0.08 1.30 1.08 0.00 -1.71 0.00 0.00 66.02 66.77 3kf8 s SER 180 CO 0.57 -0.08 1.79 1.41 1.20 0.00 0.00 173.24 178.14 3kf8 n HIS 181 N 4.21 0.00 -3.87 3.44 8.25 -1.26 -1.83 115.22 124.16 3kf8 n HIS 181 Ca -0.12 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.98 3kf8 n HIS 181 Cb 0.55 -0.33 -0.12 0.00 1.12 0.00 0.00 29.99 31.21 3kf8 n HIS 181 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3kf8 s ARG 182 N -2.82 3.77 0.41 -0.41 0.52 -1.26 -4.80 118.95 114.36 3kf8 s ARG 182 Ca 0.19 -0.43 0.16 0.00 -0.52 0.00 0.00 55.73 55.12 3kf8 s ARG 182 Cb 0.19 -3.29 1.04 0.00 0.52 0.00 0.00 34.95 33.42 3kf8 s ARG 182 CO 0.55 -0.03 1.88 -1.35 0.02 0.00 0.00 175.30 176.38 3kf8 h PRO 183 N 7.70 0.43 -0.14 3.54 0.11 -1.84 -2.31 132.00 139.49 3kf8 h PRO 183 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kf8 h PRO 183 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kf8 h PRO 183 CO 0.61 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 3kf8 n ASP 184 N -4.50 0.14 -2.61 -2.05 5.75 -1.26 -4.42 116.55 107.60 3kf8 n ASP 184 Ca 0.17 -1.04 -0.23 0.00 -0.01 0.00 0.00 54.79 53.68 3kf8 n ASP 184 Cb 0.61 -0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 40.53 3kf8 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kf8 n GLY 185 N 0.08 3.45 0.30 6.12 0.00 -0.87 -4.64 105.19 109.63 3kf8 n GLY 185 Ca 0.00 -1.27 0.14 0.00 0.00 0.00 0.00 46.02 44.88 3kf8 n GLY 185 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kf8 h LEU 186 N 6.01 0.00 -0.87 0.99 5.85 -1.90 -2.42 115.31 122.98 3kf8 h LEU 186 Ca 0.48 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.08 3kf8 h LEU 186 Cb 0.90 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3kf8 h LEU 186 CO 0.93 0.00 -0.46 1.12 -0.34 0.00 0.00 178.44 179.70 3kf8 h HIS 187 N 0.00 0.29 -0.53 1.25 2.07 -1.98 -2.45 115.15 113.80 3kf8 h HIS 187 Ca 0.05 -0.09 -0.10 0.00 -2.85 0.00 0.00 60.37 57.38 3kf8 h HIS 187 Cb 0.24 -0.06 -0.02 0.00 2.57 0.00 0.00 27.41 30.14 3kf8 h HIS 187 CO 0.00 0.66 -0.08 0.74 -3.07 0.00 0.00 177.93 176.18 3kf8 h PHE 188 N 0.20 1.08 -0.64 6.12 -1.00 -1.82 -2.59 116.94 118.28 3kf8 h PHE 188 Ca 0.01 -0.21 -0.02 0.00 2.81 0.00 0.00 57.97 60.56 3kf8 h PHE 188 Cb 0.88 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 40.14 3kf8 h PHE 188 CO 0.02 1.00 0.30 0.93 -1.61 0.00 0.00 178.31 178.95 3kf8 h GLU 189 N 0.88 0.91 -0.10 1.51 5.08 -1.47 -0.89 114.58 120.50 3kf8 h GLU 189 Ca 0.14 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3kf8 h GLU 189 Cb 0.63 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3kf8 h GLU 189 CO 0.04 0.71 -0.43 0.74 -1.00 0.00 0.00 179.01 179.07 3kf8 h PHE 190 N 0.91 0.27 -0.24 4.33 -1.00 -1.20 0.38 116.94 120.39 3kf8 h PHE 190 Ca 0.22 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 60.86 3kf8 h PHE 190 Cb 0.11 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3kf8 h PHE 190 CO 0.01 0.63 -0.10 0.93 -1.61 0.00 0.00 178.31 178.17 3kf8 h GLU 191 N 0.19 0.48 -0.15 1.51 5.08 -1.01 -1.86 114.58 118.83 3kf8 h GLU 191 Ca 0.01 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3kf8 h GLU 191 Cb 0.85 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3kf8 h GLU 191 CO 0.07 0.74 0.08 1.96 -1.00 0.00 0.00 179.01 180.86 3kf8 h GLN 192 N 0.20 0.17 -0.73 2.33 1.08 -0.90 -1.05 115.11 116.21 3kf8 h GLN 192 Ca 0.05 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3kf8 h GLN 192 Cb 0.59 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 3kf8 h GLN 192 CO 0.03 0.11 0.41 -1.49 -0.95 0.00 0.00 178.83 176.94 3kf8 h TRP 193 N 0.18 1.00 0.49 2.96 6.55 -0.91 -2.30 115.95 123.92 3kf8 h TRP 193 Ca 0.06 -0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3kf8 h TRP 193 Cb -0.00 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 27.98 3kf8 h TRP 193 CO -0.08 0.70 -0.23 0.87 -1.05 0.00 0.00 178.44 178.65 3kf8 h LYS 194 N 1.01 -0.63 -0.87 0.49 1.57 -1.11 0.19 116.57 117.22 3kf8 h LYS 194 Ca 0.26 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.26 3kf8 h LYS 194 Cb 0.03 0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.37 3kf8 h LYS 194 CO -0.04 -0.38 0.41 -0.22 -0.57 0.00 0.00 179.45 178.64 3kf8 h LYS 195 N -0.73 0.49 0.02 3.15 3.64 -1.12 0.10 116.57 122.12 3kf8 h LYS 195 Ca -0.07 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.08 3kf8 h LYS 195 Cb 0.54 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3kf8 h LYS 195 CO 0.11 0.32 -0.97 0.00 -2.27 0.00 0.00 179.45 176.64 3kf8 h ARG 196 N 0.50 0.08 -0.56 1.90 3.08 -1.30 -1.87 114.38 116.21 3kf8 h ARG 196 Ca 0.51 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.35 3kf8 h ARG 196 Cb 0.86 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3kf8 h ARG 196 CO -0.45 0.98 -0.03 0.52 -1.07 0.00 0.00 179.97 179.92 3kf8 h MET 197 N 0.03 1.02 -0.39 0.04 2.86 0.29 -0.87 114.93 117.90 3kf8 h MET 197 Ca -0.04 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 57.16 3kf8 h MET 197 Cb 1.67 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.24 3kf8 h MET 197 CO 0.14 1.03 -0.15 0.93 1.06 0.00 0.00 176.91 179.91 3kf8 h GLU 198 N 0.90 0.80 -0.66 1.72 5.08 -0.84 -1.49 114.58 120.09 3kf8 h GLU 198 Ca 0.15 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3kf8 h GLU 198 Cb 0.59 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3kf8 h GLU 198 CO 0.04 0.96 0.33 0.35 -1.00 0.00 0.00 179.01 179.68 3kf8 h PHE 199 N 0.61 0.95 0.19 4.33 3.57 -1.21 -1.49 116.94 123.88 3kf8 h PHE 199 Ca 0.09 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3kf8 h PHE 199 Cb 0.70 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3kf8 h PHE 199 CO 0.05 0.70 -0.13 -0.09 -2.23 0.00 0.00 178.31 176.62 3kf8 h ARG 200 N 0.92 -0.30 -0.35 1.11 2.43 -0.98 0.21 114.38 117.41 3kf8 h ARG 200 Ca 0.23 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3kf8 h ARG 200 Cb 0.10 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3kf8 h ARG 200 CO -0.03 -0.20 0.23 0.87 -1.51 0.00 0.00 179.97 179.33 3kf8 h LYS 201 N -0.32 0.46 -0.00 0.20 1.57 -1.14 0.12 116.57 117.46 3kf8 h LYS 201 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kf8 h LYS 201 Cb 0.27 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3kf8 h LYS 201 CO 0.01 0.30 -0.05 0.09 -0.57 0.00 0.00 179.45 179.23 3kf8 n ASN 202 N -4.84 0.08 0.00 0.86 3.02 -0.57 -4.39 115.26 109.41 3kf8 n ASN 202 Ca -0.00 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3kf8 n ASN 202 Cb 0.02 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3kf8 n ASN 202 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kf8 n ASN 203 N -1.40 1.03 -0.02 6.41 3.02 0.05 -4.96 115.26 119.39 3kf8 n ASN 203 Ca 0.09 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.67 3kf8 n ASN 203 Cb 0.31 0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 3kf8 n ASN 203 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kf8 n LEU 204 N -0.91 0.00 -0.21 3.41 4.77 0.31 -4.64 117.00 119.73 3kf8 n LEU 204 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3kf8 n LEU 204 Cb 0.11 0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3kf8 n LEU 204 CO 0.00 0.06 0.89 0.58 -1.33 0.00 0.00 177.39 177.59 3kf8 h VAL 205 N 0.00 1.26 -3.37 4.08 2.07 -1.50 -3.40 116.25 115.38 3kf8 h VAL 205 Ca -0.07 -0.98 -0.56 0.00 0.82 0.00 0.00 66.70 65.92 3kf8 h VAL 205 Cb 0.78 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3kf8 h VAL 205 CO 0.00 0.36 0.18 -0.70 0.02 0.00 0.00 177.57 177.44 3kf8 s GLU 206 N -5.22 4.46 0.81 1.57 2.12 -1.26 -5.01 118.70 116.17 3kf8 s GLU 206 Ca -0.12 1.02 -0.14 0.00 0.36 0.00 0.00 54.97 56.09 3kf8 s GLU 206 Cb 0.13 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 31.08 3kf8 s GLU 206 CO 0.83 0.00 0.73 -2.30 -0.54 0.00 0.00 175.26 173.98 3kf8 n PRO 207 N 3.93 0.11 -2.74 4.30 -0.02 -1.26 -4.94 135.00 134.39 3kf8 n PRO 207 Ca 0.01 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 3kf8 n PRO 207 Cb 0.51 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3kf8 n PRO 207 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3kf8 s TRP 208 N -2.11 3.73 -0.18 6.00 -0.00 -1.26 -5.03 118.94 120.09 3kf8 s TRP 208 Ca 0.66 1.72 0.00 0.00 -0.00 0.00 0.00 56.10 58.49 3kf8 s TRP 208 Cb -0.29 -3.07 0.04 0.00 -0.00 0.00 0.00 33.47 30.14 3kf8 s TRP 208 CO 0.58 0.09 -0.09 0.08 -0.00 0.00 0.00 176.95 177.61 3kf8 s VAL 209 N 0.54 1.44 0.23 5.86 1.01 -1.26 -4.65 120.40 123.57 3kf8 s VAL 209 Ca 0.49 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 3kf8 s VAL 209 Cb -0.22 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 3kf8 s VAL 209 CO 0.28 0.20 1.13 0.12 0.00 0.00 0.00 175.10 176.84 3kf8 s PHE 210 N 1.50 3.53 -0.76 5.22 5.36 -1.26 -4.99 117.98 126.58 3kf8 s PHE 210 Ca 0.00 1.60 -0.02 0.00 -0.96 0.00 0.00 56.93 57.56 3kf8 s PHE 210 Cb -0.15 -3.33 0.19 0.00 -0.34 0.00 0.00 43.02 39.39 3kf8 s PHE 210 CO -0.08 -0.76 0.61 0.42 -1.46 0.00 0.00 175.22 173.94 3kf8 s ILE 211 N -0.68 3.98 0.00 3.12 1.01 -1.26 -5.24 121.20 122.14 3kf8 s ILE 211 Ca 0.48 -3.47 0.00 0.00 0.00 0.00 0.00 60.65 57.66 3kf8 s ILE 211 Cb -0.32 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3kf8 s ILE 211 CO 0.39 -0.99 0.00 0.09 0.00 0.00 0.00 174.94 174.43