#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilk h SER 11 N 0.00 0.00 -0.63 6.41 0.02 -2.03 -3.25 113.55 114.07 1ilk h SER 11 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1ilk h SER 11 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1ilk h SER 11 CO 0.00 0.32 0.15 0.00 -1.14 0.00 0.00 176.83 176.16 1ilk s THR 13 N -2.92 4.78 -1.31 0.00 -4.23 -1.23 -3.47 115.64 107.26 1ilk s THR 13 Ca 0.54 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 1ilk s THR 13 Cb 0.42 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1ilk s THR 13 CO 0.14 -0.95 0.00 1.41 -0.54 0.00 0.00 174.62 174.68 1ilk n HIS 14 N -2.36 0.00 -4.76 3.99 8.25 -1.26 -5.00 115.22 114.08 1ilk n HIS 14 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 1ilk n HIS 14 Cb 0.54 -2.60 -0.12 0.00 1.12 0.00 0.00 29.99 28.93 1ilk n HIS 14 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ilk s PHE 15 N -2.22 2.80 -2.09 4.41 2.19 -1.23 -1.78 117.98 120.07 1ilk s PHE 15 Ca 0.00 -0.08 0.14 0.00 0.33 0.00 0.00 56.93 57.32 1ilk s PHE 15 Cb 0.00 -1.66 0.45 0.00 -1.31 0.00 0.00 43.02 40.50 1ilk s PHE 15 CO 0.00 0.25 1.36 -0.35 1.83 0.00 0.00 175.22 178.31 1ilk n PRO 16 N 2.23 1.84 0.18 10.12 -0.04 -1.26 -4.96 135.00 143.11 1ilk n PRO 16 Ca -0.17 -1.30 0.18 0.00 -0.04 0.00 0.00 63.50 62.18 1ilk n PRO 16 Cb 0.52 -1.32 0.80 0.00 -0.04 0.00 0.00 33.50 33.46 1ilk n PRO 16 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ilk h GLY 17 N 5.12 0.00 -0.68 0.55 0.00 -1.95 -1.90 103.07 104.21 1ilk h GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ilk h GLY 17 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1ilk n ASN 18 N -3.61 1.61 -0.20 0.19 2.04 -0.73 -4.26 115.26 110.30 1ilk n ASN 18 Ca 0.03 -1.62 -0.07 0.00 -0.44 0.00 0.00 54.58 52.48 1ilk n ASN 18 Cb 0.45 -0.06 0.03 0.00 -2.53 0.00 0.00 39.78 37.66 1ilk n ASN 18 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 1ilk h LEU 19 N 2.28 0.70 -1.26 -4.53 3.38 -1.62 -1.87 115.31 112.39 1ilk h LEU 19 Ca 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1ilk h LEU 19 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1ilk h LEU 19 CO 0.00 0.59 0.06 -0.65 0.09 0.00 0.00 178.44 178.53 1ilk h PRO 20 N 0.76 0.56 -0.41 1.13 0.11 -1.81 -2.10 132.00 130.25 1ilk h PRO 20 Ca 0.20 -0.10 -0.16 0.00 0.11 0.00 0.00 66.00 66.05 1ilk h PRO 20 Cb 0.04 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1ilk h PRO 20 CO -0.03 0.55 -0.35 -0.91 -0.21 0.00 0.00 178.00 177.04 1ilk h ASN 21 N 0.55 1.01 -0.57 -2.05 4.21 -1.70 -1.82 115.58 115.21 1ilk h ASN 21 Ca 0.12 -0.45 -0.01 0.00 1.21 0.00 0.00 56.30 57.17 1ilk h ASN 21 Cb 0.26 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.15 1ilk h ASN 21 CO 0.00 1.25 0.31 0.24 -1.29 0.00 0.00 177.43 177.95 1ilk h MET 22 N 0.79 0.79 -0.60 0.81 2.86 -0.81 0.43 114.93 119.20 1ilk h MET 22 Ca 0.07 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1ilk h MET 22 Cb 0.95 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1ilk h MET 22 CO 0.09 0.61 0.21 -0.07 1.06 0.00 0.00 176.91 178.81 1ilk h LEU 23 N 0.77 0.82 -0.77 1.22 4.07 -1.19 -0.87 115.31 119.37 1ilk h LEU 23 Ca 0.20 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 1ilk h LEU 23 Cb 0.04 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 1ilk h LEU 23 CO -0.03 0.76 0.34 -0.09 -1.08 0.00 0.00 178.44 178.34 1ilk h ARG 24 N 0.87 1.13 -0.16 1.13 2.43 -0.87 -0.93 114.38 117.98 1ilk h ARG 24 Ca 0.20 -0.18 -0.19 0.00 -0.81 0.00 0.00 59.98 58.99 1ilk h ARG 24 Cb 0.22 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1ilk h ARG 24 CO -0.01 0.90 -0.68 -0.44 -1.51 0.00 0.00 179.97 178.22 1ilk h ASP 25 N 1.09 0.74 -0.69 -3.80 3.32 -0.46 -0.63 116.42 115.99 1ilk h ASP 25 Ca 0.26 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1ilk h ASP 25 Cb 0.17 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1ilk h ASP 25 CO -0.03 1.21 0.45 -0.07 -1.72 0.00 0.00 179.24 179.08 1ilk h LEU 26 N 0.45 0.80 -1.11 1.55 3.38 -0.78 0.52 115.31 120.12 1ilk h LEU 26 Ca -0.02 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1ilk h LEU 26 Cb 1.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1ilk h LEU 26 CO 0.13 0.58 -0.20 -0.09 0.09 0.00 0.00 178.44 178.95 1ilk h ARG 27 N 0.93 0.38 -0.02 1.13 9.65 -1.11 0.18 114.38 125.52 1ilk h ARG 27 Ca 0.25 -0.12 -0.22 0.00 -1.10 0.00 0.00 59.98 58.79 1ilk h ARG 27 Cb -0.10 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1ilk h ARG 27 CO -0.05 0.57 -0.90 -0.44 2.80 0.00 0.00 179.97 181.95 1ilk h ASP 28 N 0.35 0.52 -0.56 -3.80 3.32 -0.32 -2.60 116.42 113.33 1ilk h ASP 28 Ca 0.06 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1ilk h ASP 28 Cb 0.56 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1ilk h ASP 28 CO 0.04 1.20 0.21 0.00 -1.72 0.00 0.00 179.24 178.96 1ilk h ALA 29 N 0.77 1.23 -0.61 3.45 0.00 -0.51 -2.74 119.26 120.86 1ilk h ALA 29 Ca -0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1ilk h ALA 29 Cb 1.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1ilk h ALA 29 CO 0.16 0.55 0.00 0.35 0.00 0.00 0.00 179.25 180.31 1ilk h PHE 30 N 0.88 1.17 -0.89 0.00 3.57 -0.91 -3.12 116.94 117.64 1ilk h PHE 30 Ca 0.20 -0.20 0.25 0.00 3.53 0.00 0.00 57.97 61.75 1ilk h PHE 30 Cb 0.22 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1ilk h PHE 30 CO 0.02 1.02 0.63 0.77 -2.23 0.00 0.00 178.31 178.52 1ilk h SER 31 N 0.98 0.07 -0.01 0.41 0.02 -1.14 0.15 113.55 114.03 1ilk h SER 31 Ca 0.17 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1ilk h SER 31 Cb 0.56 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1ilk h SER 31 CO 0.03 0.03 0.00 0.54 -1.14 0.00 0.00 176.83 176.29 1ilk n ARG 32 N -4.32 1.12 0.00 3.45 1.74 -1.18 -3.55 116.66 113.93 1ilk n ARG 32 Ca 0.19 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1ilk n ARG 32 Cb 0.91 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1ilk n ARG 32 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1ilk n VAL 33 N -0.76 0.00 0.05 1.55 0.24 0.24 -4.88 118.33 114.76 1ilk n VAL 33 Ca 0.22 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 1ilk n VAL 33 Cb 0.15 1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 33.58 1ilk n VAL 33 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ilk h LYS 34 N 0.00 -0.13 -0.64 7.34 3.64 -0.88 -3.05 116.57 122.85 1ilk h LYS 34 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1ilk h LYS 34 Cb 0.06 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1ilk h LYS 34 CO 0.00 -0.09 0.38 1.79 -2.27 0.00 0.00 179.45 179.26 1ilk h THR 35 N -0.13 1.19 -0.04 1.00 1.35 -1.87 -0.48 112.91 113.91 1ilk h THR 35 Ca 0.03 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1ilk h THR 35 Cb 0.16 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1ilk h THR 35 CO -0.07 0.20 0.03 0.15 -0.25 0.00 0.00 175.52 175.58 1ilk h PHE 36 N 0.89 0.05 -0.18 4.73 3.57 -1.92 -1.63 116.94 122.45 1ilk h PHE 36 Ca 0.23 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.55 1ilk h PHE 36 Cb -0.02 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.71 1ilk h PHE 36 CO 0.00 0.06 -0.62 0.74 -2.23 0.00 0.00 178.31 176.27 1ilk h PHE 37 N 0.03 0.97 -0.23 0.41 0.04 -1.41 -2.13 116.94 114.62 1ilk h PHE 37 Ca 0.01 -0.40 -0.02 0.00 2.80 0.00 0.00 57.97 60.37 1ilk h PHE 37 Cb 0.02 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1ilk h PHE 37 CO -0.07 1.21 0.06 1.96 -0.60 0.00 0.00 178.31 180.88 1ilk h GLN 38 N 0.45 0.33 -0.10 1.51 4.20 -1.07 -0.19 115.11 120.23 1ilk h GLN 38 Ca -0.03 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.47 1ilk h GLN 38 Cb 1.24 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.97 1ilk h GLN 38 CO 0.13 0.31 -0.62 0.52 -0.67 0.00 0.00 178.83 178.49 1ilk h MET 39 N 0.33 0.60 0.00 1.46 2.86 -1.21 -3.27 114.93 115.70 1ilk h MET 39 Ca 0.08 -0.51 -0.10 0.00 -2.06 0.00 0.00 59.70 57.11 1ilk h MET 39 Cb 0.12 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1ilk h MET 39 CO -0.00 1.13 -0.45 0.87 1.06 0.00 0.00 176.91 179.51 1ilk h LYS 40 N 0.24 0.00 -5.99 1.72 1.79 -1.10 -3.41 116.57 109.82 1ilk h LYS 40 Ca -0.05 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.83 1ilk h LYS 40 Cb 1.27 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.83 1ilk h LYS 40 CO 0.13 0.45 0.58 0.34 -1.08 0.00 0.00 179.45 179.88 1ilk s ASP 41 N -6.72 6.78 -0.17 0.86 2.15 -0.11 -4.89 116.67 114.58 1ilk s ASP 41 Ca -0.01 0.84 0.16 0.00 0.43 0.00 0.00 52.55 53.97 1ilk s ASP 41 Cb 0.13 -2.46 0.54 0.00 -0.30 0.00 0.00 42.92 40.82 1ilk s ASP 41 CO 0.72 -0.72 1.43 0.00 -0.17 0.00 0.00 175.17 176.44 1ilk n GLN 42 N 6.46 3.03 -4.06 4.34 1.13 -1.26 -4.90 117.38 122.11 1ilk n GLN 42 Ca 0.07 -2.82 -0.30 0.00 -1.94 0.00 0.00 57.00 52.01 1ilk n GLN 42 Cb 0.48 -1.84 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 1ilk n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ilk s LEU 43 N -2.72 3.76 0.00 1.08 1.43 -1.26 -5.04 118.68 115.93 1ilk s LEU 43 Ca 0.42 -0.05 0.15 0.00 -1.03 0.00 0.00 54.13 53.62 1ilk s LEU 43 Cb 0.33 -2.44 0.31 0.00 0.03 0.00 0.00 46.19 44.43 1ilk s LEU 43 CO 0.10 0.16 1.22 -0.90 0.23 0.00 0.00 176.35 177.15 1ilk n ASP 44 N 0.35 2.91 -4.87 2.29 5.75 -1.26 -4.98 116.55 116.74 1ilk n ASP 44 Ca -0.09 -1.87 -0.31 0.00 -0.01 0.00 0.00 54.79 52.51 1ilk n ASP 44 Cb 0.52 -0.21 0.01 0.00 -1.03 0.00 0.00 41.12 40.41 1ilk n ASP 44 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ilk s ASN 45 N -1.09 6.26 -0.22 -1.12 2.20 -1.26 -5.04 114.94 114.68 1ilk s ASN 45 Ca 0.27 1.41 -0.11 0.00 -0.94 0.00 0.00 52.86 53.49 1ilk s ASN 45 Cb 0.15 -2.46 -0.05 0.00 -2.00 0.00 0.00 41.25 36.89 1ilk s ASN 45 CO 0.20 -0.84 0.17 -0.22 -2.94 0.00 0.00 177.10 173.48 1ilk s LEU 46 N -5.08 4.15 -0.15 3.54 2.96 -1.26 -5.01 118.68 117.83 1ilk s LEU 46 Ca 0.55 0.18 -0.15 0.00 -0.22 0.00 0.00 54.13 54.49 1ilk s LEU 46 Cb -0.11 -2.13 -0.23 0.00 0.50 0.00 0.00 46.19 44.22 1ilk s LEU 46 CO 0.52 0.09 0.34 0.25 -1.32 0.00 0.00 176.35 176.23 1ilk h LEU 47 N 7.25 0.23 -7.89 -0.68 6.46 -2.01 -3.41 115.31 115.25 1ilk h LEU 47 Ca -0.39 -0.75 -0.68 0.00 -0.12 0.00 0.00 57.88 55.94 1ilk h LEU 47 Cb 1.16 -0.07 -0.13 0.00 -0.73 0.00 0.00 40.66 40.89 1ilk h LEU 47 CO 0.69 1.65 1.60 -0.76 -0.62 0.00 0.00 178.44 181.00 1ilk s LEU 48 N -7.50 4.30 0.86 2.25 1.43 -1.26 -4.97 118.68 113.79 1ilk s LEU 48 Ca -0.25 -2.32 -0.11 0.00 -1.03 0.00 0.00 54.13 50.42 1ilk s LEU 48 Cb 0.06 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 43.89 1ilk s LEU 48 CO 0.69 -1.11 1.15 -0.54 0.23 0.00 0.00 176.35 176.78 1ilk s LYS 49 N 3.40 1.42 0.37 1.70 -0.14 -1.26 -4.88 119.74 120.35 1ilk s LYS 49 Ca 0.46 1.55 0.27 0.00 -1.36 0.00 0.00 55.97 56.89 1ilk s LYS 49 Cb -0.00 -1.77 1.28 0.00 -1.68 0.00 0.00 37.83 35.65 1ilk s LYS 49 CO -0.01 -2.34 1.81 1.49 -0.76 0.00 0.00 175.35 175.55 1ilk h GLU 50 N -1.43 0.00 0.00 1.68 4.22 -1.98 -1.23 114.58 115.83 1ilk h GLU 50 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1ilk h GLU 50 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ilk h GLU 50 CO 0.45 0.00 0.00 0.66 -2.18 0.00 0.00 179.01 177.94 1ilk h SER 51 N 0.00 0.00 -0.22 1.04 4.64 -2.00 -1.28 113.55 115.73 1ilk h SER 51 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1ilk h SER 51 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1ilk h SER 51 CO 0.00 0.00 -0.41 0.25 -0.87 0.00 0.00 176.83 175.80 1ilk h LEU 52 N 0.00 0.83 -1.16 5.97 5.85 -1.57 -2.21 115.31 123.02 1ilk h LEU 52 Ca 0.00 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 1ilk h LEU 52 Cb 0.41 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1ilk h LEU 52 CO 0.00 1.13 -0.11 0.25 -0.34 0.00 0.00 178.44 179.37 1ilk h LEU 53 N 0.63 0.44 -0.57 2.25 5.85 -1.41 -2.31 115.31 120.20 1ilk h LEU 53 Ca 0.05 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 1ilk h LEU 53 Cb 0.97 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1ilk h LEU 53 CO 0.09 0.59 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.37 1ilk h GLU 54 N 0.43 1.05 -0.24 1.25 5.08 -1.03 -2.74 114.58 118.38 1ilk h GLU 54 Ca 0.08 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1ilk h GLU 54 Cb 0.45 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1ilk h GLU 54 CO 0.03 1.08 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.51 1ilk h ASP 55 N 0.94 0.41 0.41 1.42 5.19 -0.99 -2.50 116.42 121.30 1ilk h ASP 55 Ca 0.15 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1ilk h ASP 55 Cb 0.65 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1ilk h ASP 55 CO 0.05 0.60 -0.14 -0.26 -3.12 0.00 0.00 179.24 176.36 1ilk h PHE 56 N 0.38 0.00 0.00 4.55 -1.00 -1.13 -2.49 116.94 117.25 1ilk h PHE 56 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1ilk h PHE 56 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1ilk h PHE 56 CO 0.01 0.14 -0.76 1.63 -1.61 0.00 0.00 178.31 177.72 1ilk n LYS 57 N -3.66 0.17 -0.67 1.51 5.02 -0.96 -4.34 118.16 115.23 1ilk n LYS 57 Ca -0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ilk n LYS 57 Cb 0.26 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1ilk n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ilk n GLY 58 N 1.42 3.09 0.34 0.72 0.00 -1.08 -4.95 105.19 104.73 1ilk n GLY 58 Ca 0.04 -2.10 0.20 0.00 0.00 0.00 0.00 46.02 44.16 1ilk n GLY 58 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1ilk h TYR 59 N 0.15 0.00 -0.44 1.61 -0.00 -1.92 -1.57 116.97 114.79 1ilk h TYR 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ilk h TYR 59 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1ilk h TYR 59 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1ilk n LEU 60 N -3.05 3.95 -0.26 0.10 4.77 -1.26 -4.69 117.00 116.56 1ilk n LEU 60 Ca -0.03 -2.48 0.01 0.00 -0.03 0.00 0.00 56.01 53.48 1ilk n LEU 60 Cb 0.17 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 40.93 1ilk n LEU 60 CO 0.18 0.75 1.09 1.23 -1.33 0.00 0.00 177.39 179.31 1ilk h GLY 61 N 2.76 1.11 0.92 -0.72 0.00 -0.83 -1.53 103.07 104.78 1ilk h GLY 61 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1ilk h GLY 61 CO 0.16 0.10 0.09 0.00 0.00 0.00 0.00 176.54 176.89 1ilk h GLN 63 N 0.18 0.97 -0.18 0.00 4.20 -1.86 0.48 115.11 118.90 1ilk h GLN 63 Ca 0.06 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1ilk h GLN 63 Cb 0.12 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1ilk h GLN 63 CO -0.01 0.70 -0.25 0.00 -0.67 0.00 0.00 178.83 178.60 1ilk h ALA 64 N 1.46 0.28 -0.47 3.87 0.00 -1.08 -1.51 119.26 121.82 1ilk h ALA 64 Ca 0.25 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1ilk h ALA 64 Cb -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ilk h ALA 64 CO -0.04 0.26 -0.19 1.25 0.00 0.00 0.00 179.25 180.52 1ilk h LEU 65 N 0.14 0.97 -0.18 0.00 5.85 -0.31 -1.75 115.31 120.05 1ilk h LEU 65 Ca 0.02 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1ilk h LEU 65 Cb 0.82 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1ilk h LEU 65 CO 0.06 1.15 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.98 1ilk h SER 66 N 0.80 -0.18 0.28 1.25 0.87 -0.93 0.15 113.55 115.79 1ilk h SER 66 Ca 0.11 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1ilk h SER 66 Cb 0.76 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1ilk h SER 66 CO 0.06 -0.06 -0.27 -0.08 -0.53 0.00 0.00 176.83 175.95 1ilk h GLU 67 N -0.01 0.00 -0.00 2.24 4.81 -1.18 -2.26 114.58 118.17 1ilk h GLU 67 Ca 0.09 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.11 1ilk h GLU 67 Cb 0.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1ilk h GLU 67 CO -0.19 0.27 -0.88 0.52 -0.73 0.00 0.00 179.01 178.00 1ilk h MET 68 N 0.00 0.28 -0.43 1.92 2.86 -0.38 0.05 114.93 119.23 1ilk h MET 68 Ca -0.00 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 1ilk h MET 68 Cb 0.48 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1ilk h MET 68 CO 0.03 1.00 0.07 0.82 1.06 0.00 0.00 176.91 179.89 1ilk h ILE 69 N 0.16 1.24 -0.68 -1.22 2.04 -0.38 -2.27 117.51 116.40 1ilk h ILE 69 Ca -0.05 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1ilk h ILE 69 Cb 1.51 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1ilk h ILE 69 CO 0.14 0.31 0.20 -0.61 0.00 0.00 0.00 178.15 178.19 1ilk h GLN 70 N 0.57 1.06 -0.62 2.37 4.15 -1.39 -1.80 115.11 119.46 1ilk h GLN 70 Ca 0.13 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1ilk h GLN 70 Cb 0.38 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1ilk h GLN 70 CO 0.01 0.92 0.30 0.35 -1.93 0.00 0.00 178.83 178.48 1ilk h PHE 71 N 1.02 0.88 -0.21 3.99 3.57 -0.83 -1.32 116.94 124.04 1ilk h PHE 71 Ca 0.22 -0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.49 1ilk h PHE 71 Cb 0.31 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1ilk h PHE 71 CO 0.02 0.66 -0.63 1.88 -2.23 0.00 0.00 178.31 178.01 1ilk h TYR 72 N 0.85 0.98 -0.12 0.41 0.05 -1.15 0.47 116.97 118.45 1ilk h TYR 72 Ca 0.21 -0.38 -0.17 0.00 0.05 0.00 0.00 58.73 58.45 1ilk h TYR 72 Cb 0.11 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1ilk h TYR 72 CO -0.00 1.19 -0.64 -0.07 -1.05 0.00 0.00 178.16 177.59 1ilk h LEU 73 N 0.56 0.49 0.00 3.88 3.38 -1.21 0.22 115.31 122.63 1ilk h LEU 73 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ilk h LEU 73 Cb 1.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ilk h LEU 73 CO 0.13 1.00 -1.59 -0.62 0.09 0.00 0.00 178.44 177.46 1ilk n GLU 74 N -3.89 0.62 -0.03 1.13 1.02 -0.51 -4.34 120.64 114.64 1ilk n GLU 74 Ca -0.04 -0.12 -0.04 0.00 -0.02 0.00 0.00 57.16 56.94 1ilk n GLU 74 Cb 0.65 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 1ilk n GLU 74 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ilk n GLU 75 N -1.96 0.31 -0.07 3.49 1.02 0.10 -4.72 120.64 118.82 1ilk n GLU 75 Ca -0.02 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 1ilk n GLU 75 Cb 0.37 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 1ilk n GLU 75 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ilk h VAL 76 N 0.00 0.19 -0.92 2.62 2.07 -1.24 -3.39 116.25 115.58 1ilk h VAL 76 Ca -0.14 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.24 1ilk h VAL 76 Cb 1.23 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1ilk h VAL 76 CO -0.02 0.06 0.60 0.24 0.02 0.00 0.00 177.57 178.47 1ilk h MET 77 N -1.00 0.96 0.00 1.57 2.86 -0.81 -1.54 114.93 116.97 1ilk h MET 77 Ca -0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1ilk h MET 77 Cb 0.58 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1ilk h MET 77 CO -0.03 0.63 -0.11 -1.35 1.06 0.00 0.00 176.91 177.11 1ilk h PRO 78 N 0.99 0.00 0.01 -0.22 0.11 -1.80 -1.23 132.00 129.85 1ilk h PRO 78 Ca 0.41 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.23 1ilk h PRO 78 Cb 0.30 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.36 1ilk h PRO 78 CO -0.17 0.11 -1.75 1.04 -0.21 0.00 0.00 178.00 177.02 1ilk n GLN 79 N -3.95 0.64 0.18 1.05 1.13 -0.84 -4.11 117.38 111.49 1ilk n GLN 79 Ca -0.02 0.28 0.04 0.00 -1.94 0.00 0.00 57.00 55.36 1ilk n GLN 79 Cb 0.20 -1.78 0.30 0.00 0.11 0.00 0.00 30.24 29.07 1ilk n GLN 79 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ilk h ALA 80 N 0.95 0.99 0.00 -1.58 0.00 -0.75 -3.25 119.26 115.62 1ilk h ALA 80 Ca -0.30 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1ilk h ALA 80 Cb 2.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1ilk h ALA 80 CO 0.08 0.53 -0.22 1.05 0.00 0.00 0.00 179.25 180.69 1ilk h GLU 81 N 0.00 0.00 -0.25 0.00 4.11 -1.39 -2.31 114.58 114.74 1ilk h GLU 81 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ilk h GLU 81 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ilk h GLU 81 CO 0.06 0.22 0.00 0.09 0.07 0.00 0.00 179.01 179.45 1ilk n ASN 82 N -3.97 2.00 0.21 3.06 3.02 -1.22 -3.72 115.26 114.64 1ilk n ASN 82 Ca -0.02 -1.82 0.05 0.00 -0.03 0.00 0.00 54.58 52.77 1ilk n ASN 82 Cb 0.30 -0.16 0.47 0.00 -0.61 0.00 0.00 39.78 39.78 1ilk n ASN 82 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1ilk h GLN 83 N 2.52 0.00 -1.46 3.52 1.08 -1.54 -3.44 115.11 115.80 1ilk h GLN 83 Ca 0.00 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.32 1ilk h GLN 83 Cb 0.56 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 27.74 1ilk h GLN 83 CO 0.00 0.26 0.24 0.34 -0.95 0.00 0.00 178.83 178.72 1ilk s ASP 84 N -6.81 -0.64 0.32 1.46 2.15 -1.26 -5.06 116.67 106.83 1ilk s ASP 84 Ca -0.03 0.96 0.10 0.00 0.43 0.00 0.00 52.55 54.00 1ilk s ASP 84 Cb 0.15 1.48 0.97 0.00 -0.30 0.00 0.00 42.92 45.21 1ilk s ASP 84 CO 0.69 -0.14 1.62 1.55 -0.17 0.00 0.00 175.17 178.72 1ilk h PRO 85 N 6.82 0.16 0.00 4.34 0.13 -1.85 0.17 132.00 141.76 1ilk h PRO 85 Ca -0.23 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1ilk h PRO 85 Cb 1.16 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ilk h PRO 85 CO 0.15 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 177.77 1ilk n ASP 86 N -5.23 0.00 -0.02 1.44 8.00 -1.26 -3.14 116.55 116.35 1ilk n ASP 86 Ca 0.28 -0.84 0.02 0.00 0.71 0.00 0.00 54.79 54.97 1ilk n ASP 86 Cb 0.91 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.95 1ilk n ASP 86 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ilk n ILE 87 N -1.04 0.00 -0.30 0.53 -6.64 0.01 -4.71 119.36 107.20 1ilk n ILE 87 Ca 0.22 -0.40 0.06 0.00 -1.77 0.00 0.00 62.75 60.86 1ilk n ILE 87 Cb 0.12 1.01 0.22 0.00 -1.44 0.00 0.00 39.64 39.55 1ilk n ILE 87 CO 0.00 0.00 0.00 0.50 -1.77 0.00 0.00 176.55 175.28 1ilk h LYS 88 N 0.08 0.68 -0.00 6.28 3.64 -1.40 -1.36 116.57 124.49 1ilk h LYS 88 Ca 0.00 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1ilk h LYS 88 Cb 0.12 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1ilk h LYS 88 CO 0.00 0.45 -0.73 0.00 -2.27 0.00 0.00 179.45 176.90 1ilk h ALA 89 N 1.53 0.80 -0.08 5.00 0.00 -1.84 -1.77 119.26 122.90 1ilk h ALA 89 Ca 0.45 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1ilk h ALA 89 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ilk h ALA 89 CO -0.33 0.91 -0.68 0.45 0.00 0.00 0.00 179.25 179.60 1ilk h HIS 90 N 0.00 0.46 -0.28 0.00 3.86 -1.65 -1.74 115.15 115.81 1ilk h HIS 90 Ca -0.01 -0.20 -0.12 0.00 -1.16 0.00 0.00 60.37 58.89 1ilk h HIS 90 Cb 1.29 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.68 1ilk h HIS 90 CO 0.00 0.92 -0.28 0.28 0.86 0.00 0.00 177.93 179.72 1ilk h VAL 91 N 0.24 1.30 0.00 2.45 2.07 -1.23 -2.18 116.25 118.91 1ilk h VAL 91 Ca -0.02 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1ilk h VAL 91 Cb 1.24 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1ilk h VAL 91 CO 0.11 0.46 -0.14 0.78 0.02 0.00 0.00 177.57 178.81 1ilk h ASN 92 N 0.41 0.00 0.39 0.57 -0.26 -1.24 -2.13 115.58 113.32 1ilk h ASN 92 Ca 0.04 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.51 1ilk h ASN 92 Cb 0.85 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.12 1ilk h ASN 92 CO 0.07 0.14 -1.16 0.28 -1.06 0.00 0.00 177.43 175.69 1ilk h SER 93 N 0.00 0.60 -0.59 5.81 0.02 -1.27 -2.84 113.55 115.27 1ilk h SER 93 Ca -0.00 -0.57 -0.10 0.00 -0.84 0.00 0.00 61.79 60.29 1ilk h SER 93 Cb 0.25 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1ilk h SER 93 CO 0.02 1.40 -0.00 0.25 -1.14 0.00 0.00 176.83 177.36 1ilk h LEU 94 N 0.18 1.03 -1.50 5.07 5.85 -0.99 -1.96 115.31 122.98 1ilk h LEU 94 Ca -0.14 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1ilk h LEU 94 Cb 1.85 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1ilk h LEU 94 CO 0.20 1.08 0.00 1.23 -0.34 0.00 0.00 178.44 180.62 1ilk h GLY 95 N 0.94 0.34 1.29 3.75 0.00 -1.39 -2.60 103.07 105.41 1ilk h GLY 95 Ca 0.17 -0.17 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 1ilk h GLY 95 CO 0.03 0.17 -1.04 0.83 0.00 0.00 0.00 176.54 176.53 1ilk h GLU 96 N 0.31 0.63 -0.49 4.80 4.39 -1.35 -0.00 114.58 122.87 1ilk h GLU 96 Ca 0.07 -0.69 -0.05 0.00 0.34 0.00 0.00 59.36 59.03 1ilk h GLU 96 Cb 0.21 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1ilk h GLU 96 CO 0.00 1.28 0.09 -0.91 -1.16 0.00 0.00 179.01 178.32 1ilk h ASN 97 N 0.35 0.70 -0.29 1.42 4.21 -1.09 -1.95 115.58 118.92 1ilk h ASN 97 Ca -0.12 -0.13 -0.06 0.00 1.21 0.00 0.00 56.30 57.20 1ilk h ASN 97 Cb 1.69 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.70 1ilk h ASN 97 CO 0.20 0.71 -0.06 0.25 -1.29 0.00 0.00 177.43 177.24 1ilk h LEU 98 N 0.72 0.56 -0.92 1.61 5.85 -1.43 -0.25 115.31 121.46 1ilk h LEU 98 Ca 0.16 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 1ilk h LEU 98 Cb 0.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1ilk h LEU 98 CO 0.00 0.79 -0.19 0.11 -0.34 0.00 0.00 178.44 178.81 1ilk h LYS 99 N 0.33 0.58 -0.24 1.25 1.57 -0.86 -1.50 116.57 117.69 1ilk h LYS 99 Ca 0.08 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ilk h LYS 99 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1ilk h LYS 99 CO 0.03 0.74 0.13 1.15 -0.57 0.00 0.00 179.45 180.93 1ilk h THR 100 N 0.52 1.11 -0.52 -0.16 2.02 -1.22 -1.39 112.91 113.27 1ilk h THR 100 Ca 0.08 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1ilk h THR 100 Cb 0.62 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1ilk h THR 100 CO 0.04 0.11 0.24 0.25 0.37 0.00 0.00 175.52 176.53 1ilk h LEU 101 N 0.28 0.70 -0.13 2.58 5.85 -0.89 -2.31 115.31 121.40 1ilk h LEU 101 Ca 0.09 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1ilk h LEU 101 Cb 0.06 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1ilk h LEU 101 CO -0.01 0.65 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.49 1ilk h ARG 102 N 0.70 -0.18 -0.90 1.25 2.43 -0.96 -1.65 114.38 115.07 1ilk h ARG 102 Ca 0.18 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1ilk h ARG 102 Cb 0.14 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 1ilk h ARG 102 CO -0.02 -0.12 0.59 -0.07 -1.51 0.00 0.00 179.97 178.84 1ilk h LEU 103 N -0.19 0.93 -0.21 3.80 3.38 -1.21 -0.88 115.31 120.93 1ilk h LEU 103 Ca 0.09 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1ilk h LEU 103 Cb 0.32 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ilk h LEU 103 CO -0.24 0.62 -0.15 -0.09 0.09 0.00 0.00 178.44 178.66 1ilk h ARG 104 N 1.07 0.48 -0.54 1.13 2.43 -1.11 -0.77 114.38 117.07 1ilk h ARG 104 Ca 0.38 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1ilk h ARG 104 Cb 0.13 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1ilk h ARG 104 CO -0.13 0.79 0.05 -0.07 -1.51 0.00 0.00 179.97 179.10 1ilk h LEU 105 N 0.17 0.83 0.06 3.80 3.38 -0.92 -1.31 115.31 121.32 1ilk h LEU 105 Ca 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ilk h LEU 105 Cb 0.67 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ilk h LEU 105 CO 0.04 0.86 -0.03 -0.09 0.09 0.00 0.00 178.44 179.32 1ilk h ARG 106 N 0.82 -0.07 0.00 1.13 2.43 -1.05 -2.73 114.38 114.91 1ilk h ARG 106 Ca 0.16 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1ilk h ARG 106 Cb 0.42 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1ilk h ARG 106 CO 0.01 0.24 -0.23 0.00 -1.51 0.00 0.00 179.97 178.49 1ilk h ARG 107 N -0.40 0.00 -4.69 0.20 3.08 -1.13 -3.42 114.38 108.03 1ilk h ARG 107 Ca -0.01 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.35 1ilk h ARG 107 Cb 0.35 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.13 1ilk h ARG 107 CO 0.01 0.23 -0.59 0.00 -1.07 0.00 0.00 179.97 178.55 1ilk n HIS 109 N 4.86 -2.31 -3.95 0.00 8.25 -1.26 -3.42 115.22 117.40 1ilk n HIS 109 Ca -0.13 0.91 -0.29 0.00 -0.26 0.00 0.00 57.72 57.96 1ilk n HIS 109 Cb 0.46 -4.23 0.00 0.00 1.12 0.00 0.00 29.99 27.34 1ilk n HIS 109 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ilk n ARG 110 N -4.65 -4.37 0.00 -0.41 5.12 -1.26 -4.89 116.66 106.20 1ilk n ARG 110 Ca -0.03 0.51 0.14 0.00 -1.93 0.00 0.00 57.85 56.53 1ilk n ARG 110 Cb 0.56 -5.11 0.52 0.00 -1.16 0.00 0.00 32.46 27.26 1ilk n ARG 110 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ilk n PHE 111 N -4.47 0.00 -3.13 -1.55 3.01 -1.05 -4.05 117.46 106.22 1ilk n PHE 111 Ca -0.10 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.17 1ilk n PHE 111 Cb 0.59 -0.31 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 1ilk n PHE 111 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1ilk n LEU 112 N -1.28 0.18 0.28 4.37 7.94 -1.10 -4.89 117.00 122.50 1ilk n LEU 112 Ca 0.10 -4.72 0.14 0.00 -1.11 0.00 0.00 56.01 50.42 1ilk n LEU 112 Cb 0.31 0.73 0.85 0.00 0.53 0.00 0.00 43.42 45.84 1ilk n LEU 112 CO 0.28 2.20 1.07 1.55 -1.11 0.00 0.00 177.39 181.37 1ilk h PRO 113 N 3.31 0.00 0.00 1.96 0.13 -1.88 -0.07 132.00 135.45 1ilk h PRO 113 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ilk h PRO 113 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1ilk h PRO 113 CO 0.45 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 1ilk n GLU 115 N -2.71 2.05 -2.27 0.00 1.02 -0.04 -4.93 120.64 113.76 1ilk n GLU 115 Ca 0.01 -1.57 -0.30 0.00 -0.02 0.00 0.00 57.16 55.28 1ilk n GLU 115 Cb 0.24 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1ilk n GLU 115 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ilk s ASN 116 N -2.03 6.30 0.12 1.62 0.02 -0.27 -5.09 114.94 115.60 1ilk s ASN 116 Ca 0.31 1.24 0.10 0.00 -1.02 0.00 0.00 52.86 53.48 1ilk s ASN 116 Cb 0.20 -2.38 -0.04 0.00 0.02 0.00 0.00 41.25 39.05 1ilk s ASN 116 CO 0.33 -0.70 -0.26 -1.59 0.02 0.00 0.00 177.10 174.90 1ilk s LYS 117 N -4.81 1.39 -0.08 -0.60 0.00 -1.26 -5.07 119.74 109.30 1ilk s LYS 117 Ca 0.52 -1.28 -0.30 0.00 0.00 0.00 0.00 55.97 54.91 1ilk s LYS 117 Cb -0.11 -1.81 -0.02 0.00 0.00 0.00 0.00 37.83 35.90 1ilk s LYS 117 CO 0.47 0.43 1.07 0.45 0.00 0.00 0.00 175.35 177.77 1ilk s SER 118 N -1.94 7.19 0.32 0.03 0.15 -1.26 -4.93 113.70 113.26 1ilk s SER 118 Ca 0.12 1.63 0.15 0.00 0.70 0.00 0.00 55.95 58.56 1ilk s SER 118 Cb -0.10 -2.56 0.44 0.00 -1.71 0.00 0.00 66.02 62.10 1ilk s SER 118 CO 0.05 -0.48 1.63 0.07 1.20 0.00 0.00 173.24 175.71 1ilk h LYS 119 N 7.18 0.00 -0.82 5.44 -0.00 -1.99 -2.31 116.57 124.06 1ilk h LYS 119 Ca -0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.31 1ilk h LYS 119 Cb 1.16 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.35 1ilk h LYS 119 CO 0.86 0.50 0.45 0.00 -0.00 0.00 0.00 179.45 181.26 1ilk h ALA 120 N 1.50 1.05 -0.20 0.07 0.00 -1.99 -0.96 119.26 118.72 1ilk h ALA 120 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ilk h ALA 120 Cb 1.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ilk h ALA 120 CO 0.07 0.57 -0.01 0.28 0.00 0.00 0.00 179.25 180.15 1ilk h VAL 121 N 1.14 1.26 -0.42 0.00 2.07 -1.93 -2.47 116.25 115.91 1ilk h VAL 121 Ca 0.29 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1ilk h VAL 121 Cb 0.04 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1ilk h VAL 121 CO -0.05 0.27 0.06 -0.08 0.02 0.00 0.00 177.57 177.80 1ilk h GLU 122 N 0.12 0.63 -0.56 1.57 4.81 -1.00 -2.08 114.58 118.07 1ilk h GLU 122 Ca 0.06 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1ilk h GLU 122 Cb 0.41 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1ilk h GLU 122 CO 0.01 0.61 -0.05 1.96 -0.73 0.00 0.00 179.01 180.81 1ilk h GLN 123 N 0.61 1.02 -0.58 1.92 4.20 -1.00 -2.08 115.11 119.21 1ilk h GLN 123 Ca 0.14 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 1ilk h GLN 123 Cb 0.29 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1ilk h GLN 123 CO 0.00 1.04 0.15 0.28 -0.67 0.00 0.00 178.83 179.63 1ilk h VAL 124 N 0.91 1.23 -0.38 -0.54 2.07 -1.14 -1.83 116.25 116.57 1ilk h VAL 124 Ca 0.15 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1ilk h VAL 124 Cb 0.61 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1ilk h VAL 124 CO 0.04 0.32 -0.21 0.11 0.02 0.00 0.00 177.57 177.85 1ilk h LYS 125 N 0.87 0.81 -0.26 1.57 1.57 -1.28 -0.08 116.57 119.77 1ilk h LYS 125 Ca 0.19 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1ilk h LYS 125 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1ilk h LYS 125 CO -0.00 0.99 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.87 1ilk h ASN 126 N 0.61 0.48 -0.62 0.86 -1.24 -1.20 -1.00 115.58 113.46 1ilk h ASN 126 Ca 0.08 -0.34 -0.04 0.00 0.71 0.00 0.00 56.30 56.72 1ilk h ASN 126 Cb 0.76 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.65 1ilk h ASN 126 CO 0.06 0.70 0.26 0.00 -1.29 0.00 0.00 177.43 177.16 1ilk h ALA 127 N 0.80 1.23 -0.31 1.57 0.00 -1.19 -2.12 119.26 119.24 1ilk h ALA 127 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ilk h ALA 127 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ilk h ALA 127 CO 0.02 0.56 0.07 0.35 0.00 0.00 0.00 179.25 180.26 1ilk h PHE 128 N 0.94 0.52 -0.61 0.00 3.57 -0.87 -2.58 116.94 117.90 1ilk h PHE 128 Ca 0.22 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1ilk h PHE 128 Cb 0.18 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1ilk h PHE 128 CO 0.01 0.55 0.39 -0.91 -2.23 0.00 0.00 178.31 176.13 1ilk h ASN 129 N 0.33 0.70 -0.93 0.41 2.35 -0.74 -2.33 115.58 115.38 1ilk h ASN 129 Ca 0.10 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1ilk h ASN 129 Cb 0.29 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1ilk h ASN 129 CO 0.00 0.52 0.60 0.50 -1.65 0.00 0.00 177.43 177.40 1ilk h LYS 130 N 0.82 1.13 0.00 0.81 3.64 -1.30 -2.15 116.57 119.52 1ilk h LYS 130 Ca 0.22 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ilk h LYS 130 Cb -0.08 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.48 1ilk h LYS 130 CO -0.05 0.75 0.00 1.28 -2.27 0.00 0.00 179.45 179.16 1ilk n LEU 131 N -4.50 0.52 0.00 5.20 4.77 -0.90 -4.95 117.00 117.14 1ilk n LEU 131 Ca 0.12 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1ilk n LEU 131 Cb 0.09 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1ilk n LEU 131 CO 0.34 -0.44 0.00 0.00 -1.33 0.00 0.00 177.39 175.96 1ilk n GLN 132 N -2.06 0.00 -0.15 3.23 6.02 -0.81 -1.71 117.38 121.90 1ilk n GLN 132 Ca 0.03 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.17 1ilk n GLN 132 Cb 0.24 0.00 0.52 0.00 1.02 0.00 0.00 30.24 32.02 1ilk n GLN 132 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1ilk h GLU 133 N 0.00 0.37 0.00 -1.09 9.09 -1.90 0.53 114.58 121.57 1ilk h GLU 133 Ca 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 1ilk h GLU 133 Cb 0.00 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 27.02 1ilk h GLU 133 CO 0.00 0.24 -0.00 0.87 0.05 0.00 0.00 179.01 180.17 1ilk h LYS 134 N 0.38 0.00 -0.56 1.06 1.57 -1.71 -2.28 116.57 115.04 1ilk h LYS 134 Ca 0.35 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.02 1ilk h LYS 134 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1ilk h LYS 134 CO -0.11 0.00 -0.08 0.78 -0.57 0.00 0.00 179.45 179.47 1ilk h GLY 135 N 1.81 1.13 0.93 3.86 0.00 0.08 -1.79 103.07 109.08 1ilk h GLY 135 Ca -0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 1ilk h GLY 135 CO 0.00 0.82 0.11 -2.22 0.00 0.00 0.00 176.54 175.25 1ilk h ILE 136 N 0.92 1.12 -0.84 2.60 2.04 -1.36 -0.73 117.51 121.26 1ilk h ILE 136 Ca 0.15 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1ilk h ILE 136 Cb 0.65 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1ilk h ILE 136 CO 0.05 0.12 0.44 1.88 0.00 0.00 0.00 178.15 180.63 1ilk h TYR 137 N 0.22 1.18 -0.01 1.37 0.05 -1.55 -1.15 116.97 117.08 1ilk h TYR 137 Ca 0.07 -0.04 -0.20 0.00 0.05 0.00 0.00 58.73 58.61 1ilk h TYR 137 Cb 0.09 -0.37 0.02 0.00 1.01 0.00 0.00 36.73 37.47 1ilk h TYR 137 CO -0.03 0.83 -0.79 -0.22 -1.05 0.00 0.00 178.16 176.90 1ilk h LYS 138 N 1.18 0.55 -0.77 4.88 3.64 -1.17 -0.98 116.57 123.90 1ilk h LYS 138 Ca 0.29 -0.58 0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1ilk h LYS 138 Cb 0.06 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 31.96 1ilk h LYS 138 CO -0.04 1.20 0.36 0.00 -2.27 0.00 0.00 179.45 178.70 1ilk h ALA 139 N 0.36 1.11 -0.00 5.00 0.00 -1.08 -2.41 119.26 122.25 1ilk h ALA 139 Ca -0.10 0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1ilk h ALA 139 Cb 1.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ilk h ALA 139 CO 0.16 -0.13 -0.94 0.52 0.00 0.00 0.00 179.25 178.86 1ilk h MET 140 N 0.55 0.42 0.00 0.00 2.86 -1.18 -3.18 114.93 114.39 1ilk h MET 140 Ca 0.41 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1ilk h MET 140 Cb 0.57 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 1ilk h MET 140 CO -0.35 1.11 -0.03 0.66 1.06 0.00 0.00 176.91 179.36 1ilk h SER 141 N 0.24 0.00 -0.60 1.22 4.64 -0.86 -2.65 113.55 115.54 1ilk h SER 141 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ilk h SER 141 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1ilk h SER 141 CO 0.16 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.54 1ilk n GLU 142 N -3.15 2.88 0.25 4.77 1.02 -0.94 -4.55 120.64 120.92 1ilk n GLU 142 Ca 0.00 -2.36 0.08 0.00 -0.02 0.00 0.00 57.16 54.87 1ilk n GLU 142 Cb 0.29 -1.64 0.63 0.00 -0.02 0.00 0.00 31.44 30.71 1ilk n GLU 142 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ilk h PHE 143 N 3.61 0.00 0.00 -0.32 3.57 -1.45 0.71 116.94 123.05 1ilk h PHE 143 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1ilk h PHE 143 Cb 1.05 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1ilk h PHE 143 CO 0.54 0.10 -0.30 0.38 -2.23 0.00 0.00 178.31 176.79 1ilk h ASP 144 N 0.00 0.00 0.10 0.41 2.03 -1.84 -0.53 116.42 116.58 1ilk h ASP 144 Ca -0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1ilk h ASP 144 Cb 0.19 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1ilk h ASP 144 CO 0.01 0.30 -0.89 0.40 -1.03 0.00 0.00 179.24 178.03 1ilk h ILE 145 N 0.00 1.33 -0.71 4.15 2.04 -1.20 -2.06 117.51 121.06 1ilk h ILE 145 Ca -0.00 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1ilk h ILE 145 Cb 0.58 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1ilk h ILE 145 CO 0.04 0.68 0.46 0.15 0.00 0.00 0.00 178.15 179.47 1ilk h PHE 146 N 0.37 0.91 -0.63 1.37 3.57 -1.10 -1.67 116.94 119.76 1ilk h PHE 146 Ca -0.08 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1ilk h PHE 146 Cb 1.52 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1ilk h PHE 146 CO 0.08 0.59 0.14 0.82 -2.23 0.00 0.00 178.31 177.70 1ilk h ILE 147 N 0.97 1.25 -0.66 1.41 2.04 -1.04 -1.74 117.51 119.74 1ilk h ILE 147 Ca 0.26 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.22 1ilk h ILE 147 Cb -0.09 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1ilk h ILE 147 CO -0.05 0.35 0.39 0.78 0.00 0.00 0.00 178.15 179.62 1ilk h ASN 148 N 0.96 0.61 -0.57 1.72 -0.26 -0.63 -0.04 115.58 117.37 1ilk h ASN 148 Ca 0.20 0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.86 1ilk h ASN 148 Cb 0.36 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 1ilk h ASN 148 CO 0.00 0.41 -0.02 1.88 -1.06 0.00 0.00 177.43 178.64 1ilk h TYR 149 N 0.74 1.13 -0.49 1.19 0.05 -0.98 -1.96 116.97 116.65 1ilk h TYR 149 Ca 0.28 -0.20 -0.10 0.00 0.05 0.00 0.00 58.73 58.76 1ilk h TYR 149 Cb 0.10 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 1ilk h TYR 149 CO -0.06 1.01 -0.09 0.82 -1.05 0.00 0.00 178.16 178.79 1ilk h ILE 150 N 0.94 1.27 -0.64 -2.88 2.04 -0.84 -2.42 117.51 114.99 1ilk h ILE 150 Ca 0.16 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1ilk h ILE 150 Cb 0.58 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1ilk h ILE 150 CO 0.03 0.42 0.37 -0.08 0.00 0.00 0.00 178.15 178.89 1ilk h GLU 151 N 0.78 0.87 -0.73 2.37 4.81 -0.81 -1.30 114.58 120.57 1ilk h GLU 151 Ca 0.13 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1ilk h GLU 151 Cb 0.64 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1ilk h GLU 151 CO 0.04 0.62 0.30 0.00 -0.73 0.00 0.00 179.01 179.24 1ilk h ALA 152 N 1.52 0.95 -0.47 2.92 0.00 -0.90 0.29 119.26 123.58 1ilk h ALA 152 Ca 0.23 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1ilk h ALA 152 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ilk h ALA 152 CO -0.04 0.57 -0.21 -0.92 0.00 0.00 0.00 179.25 178.66 1ilk h TYR 153 N 1.05 1.10 -0.13 0.00 3.20 -0.93 -2.84 116.97 118.42 1ilk h TYR 153 Ca 0.25 -0.26 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 1ilk h TYR 153 Cb 0.21 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.23 1ilk h TYR 153 CO 0.02 1.07 -0.51 0.52 -1.64 0.00 0.00 178.16 177.62 1ilk h MET 154 N 0.83 0.57 0.00 1.82 2.86 -1.00 -3.06 114.93 116.96 1ilk h MET 154 Ca 0.11 -0.44 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 1ilk h MET 154 Cb 0.77 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1ilk h MET 154 CO 0.06 1.07 -0.24 1.79 1.06 0.00 0.00 176.91 180.65 1ilk h THR 155 N 0.19 0.90 -0.63 2.22 1.35 -0.44 -1.02 112.91 115.49 1ilk h THR 155 Ca -0.03 -0.91 -0.02 0.00 -0.55 0.00 0.00 66.41 64.91 1ilk h THR 155 Cb 1.14 1.53 -0.03 0.00 -1.73 0.00 0.00 68.15 69.06 1ilk h THR 155 CO 0.11 0.23 0.32 -0.03 -0.25 0.00 0.00 175.52 175.90 1ilk h MET 156 N 0.00 0.87 0.04 4.72 -1.53 -1.40 -2.24 114.93 115.39 1ilk h MET 156 Ca -0.00 -0.10 -0.30 0.00 -3.44 0.00 0.00 59.70 55.86 1ilk h MET 156 Cb 0.51 -0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 31.36 1ilk h MET 156 CO 0.03 0.66 -1.63 0.87 0.14 0.00 0.00 176.91 176.99 1ilk h LYS 157 N 0.88 0.09 -0.00 0.39 1.57 -1.14 -3.39 116.57 114.97 1ilk h LYS 157 Ca 0.22 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ilk h LYS 157 Cb 0.06 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ilk h LYS 157 CO -0.03 0.79 -0.48 0.44 -0.57 0.00 0.00 179.45 179.60 1ilk n ILE 158 N -3.23 0.00 -4.55 1.86 -5.35 -0.88 -4.91 119.36 102.30 1ilk n ILE 158 Ca -0.17 -0.01 -0.26 0.00 -0.27 0.00 0.00 62.75 62.05 1ilk n ILE 158 Cb 1.04 0.24 -0.11 0.00 -1.74 0.00 0.00 39.64 39.07 1ilk n ILE 158 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1ilk s ARG 159 N -2.97 1.82 0.00 6.28 1.81 -0.85 -5.09 118.95 119.95 1ilk s ARG 159 Ca 0.12 -1.97 0.00 0.00 -1.72 0.00 0.00 55.73 52.15 1ilk s ARG 159 Cb 0.18 -1.54 0.00 0.00 -0.45 0.00 0.00 34.95 33.13 1ilk s ARG 159 CO 0.69 0.04 0.00 0.09 -0.68 0.00 0.00 175.30 175.43