#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk n LYS 8 N 0.00 0.00 -1.04 7.34 4.01 -1.26 -5.16 118.16 122.05 1ibk n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ibk n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1ibk n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1ibk n GLU 9 N 0.00 -2.96 0.00 1.97 0.00 -1.26 -5.01 120.64 113.38 1ibk n GLU 9 Ca 0.00 2.19 0.00 0.00 0.00 0.00 0.00 57.16 59.35 1ibk n GLU 9 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 28.99 1ibk n GLU 9 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1ibk n LEU 10 N -0.65 0.00 -1.93 4.31 0.00 -1.26 -4.71 117.00 112.76 1ibk n LEU 10 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.91 1ibk n LEU 10 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.28 1ibk n LEU 10 CO 0.00 0.00 1.53 0.18 0.00 0.00 0.00 177.39 179.10 1ibk n LEU 11 N -1.15 5.28 0.00 -1.96 4.77 -1.26 -4.30 117.00 118.38 1ibk n LEU 11 Ca 0.00 -3.08 0.10 0.00 -0.03 0.00 0.00 56.01 53.00 1ibk n LEU 11 Cb 0.13 -1.37 0.60 0.00 -2.33 0.00 0.00 43.42 40.45 1ibk n LEU 11 CO 0.00 1.60 0.81 1.21 -1.33 0.00 0.00 177.39 179.67 1ibk n GLU 12 N 2.33 0.72 0.19 3.23 4.07 -1.26 -2.27 120.64 127.63 1ibk n GLU 12 Ca 0.37 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.58 1ibk n GLU 12 Cb 0.85 -1.44 0.58 0.00 -0.06 0.00 0.00 31.44 31.37 1ibk n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ibk h ALA 13 N 3.31 1.07 0.00 4.31 0.00 -1.97 0.30 119.26 126.29 1ibk h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ibk h ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ibk h ALA 13 CO 0.00 -0.07 0.10 0.78 0.00 0.00 0.00 179.25 180.06 1ibk h GLY 14 N 0.00 0.00 0.00 0.00 0.00 -1.83 -3.44 103.07 97.80 1ibk h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ibk h GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.92 1ibk n VAL 15 N -2.73 0.00 0.00 4.60 0.31 0.11 -5.06 118.33 115.55 1ibk n VAL 15 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1ibk n VAL 15 Cb 0.15 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1ibk n VAL 15 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ibk n HIS 16 N 0.00 0.00 0.00 3.52 8.25 -1.24 -4.86 115.22 120.88 1ibk n HIS 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ibk n HIS 16 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ibk n HIS 16 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1ibk n PHE 17 N 0.00 -0.24 -0.12 4.41 -1.74 -1.26 -4.85 117.46 113.66 1ibk n PHE 17 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1ibk n PHE 17 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1ibk n PHE 17 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ibk n GLY 18 N 0.00 0.00 3.20 4.97 0.00 -1.26 -4.70 105.19 107.40 1ibk n GLY 18 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1ibk n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ibk n HIS 19 N 1.51 -1.73 -1.96 1.61 -0.00 -1.02 -4.87 115.22 108.76 1ibk n HIS 19 Ca 0.00 -1.33 0.00 0.00 0.46 0.00 0.00 57.72 56.85 1ibk n HIS 19 Cb 0.00 0.66 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 1ibk n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1ibk n GLU 20 N -0.53 -1.37 0.00 1.57 -0.58 -1.26 -3.74 120.64 114.73 1ibk n GLU 20 Ca -0.05 0.98 0.00 0.00 -0.42 0.00 0.00 57.16 57.67 1ibk n GLU 20 Cb 0.50 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1ibk n GLU 20 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1ibk n ARG 21 N 1.86 0.00 -2.68 3.49 1.85 -1.26 -3.23 116.66 116.69 1ibk n ARG 21 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 1ibk n ARG 21 Cb 0.00 -0.08 0.13 0.00 -1.05 0.00 0.00 32.46 31.45 1ibk n ARG 21 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1ibk n LYS 22 N 0.00 1.37 0.01 2.89 4.81 -1.21 -1.49 118.16 124.53 1ibk n LYS 22 Ca 0.00 -1.30 0.11 0.00 -0.87 0.00 0.00 58.31 56.24 1ibk n LYS 22 Cb 0.00 0.35 -0.06 0.00 0.02 0.00 0.00 35.03 35.34 1ibk n LYS 22 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1ibk n ARG 23 N -1.47 0.26 0.00 1.64 -4.01 -1.26 -5.02 116.66 106.79 1ibk n ARG 23 Ca -0.16 -0.04 0.00 0.00 -1.04 0.00 0.00 57.85 56.60 1ibk n ARG 23 Cb 0.88 -1.54 0.00 0.00 -3.04 0.00 0.00 32.46 28.75 1ibk n ARG 23 CO 0.00 0.00 0.00 -2.67 -3.04 0.00 0.00 177.63 171.92 1ibk n TRP 24 N -1.85 0.00 -3.34 2.89 4.27 -1.26 -4.94 117.44 113.21 1ibk n TRP 24 Ca 0.02 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.51 1ibk n TRP 24 Cb 0.42 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.30 1ibk n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1ibk s ASN 25 N 0.00 0.73 0.15 -0.67 3.04 -1.07 -4.82 114.94 112.30 1ibk s ASN 25 Ca 0.00 -0.39 0.11 0.00 0.04 0.00 0.00 52.86 52.61 1ibk s ASN 25 Cb 0.00 0.93 0.51 0.00 -1.54 0.00 0.00 41.25 41.15 1ibk s ASN 25 CO 0.00 -0.36 0.53 -2.65 -3.04 0.00 0.00 177.10 171.59 1ibk n PRO 26 N 5.34 -0.01 -0.14 0.43 -0.02 -1.26 0.49 135.00 139.83 1ibk n PRO 26 Ca -0.01 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 1ibk n PRO 26 Cb 0.49 -0.84 -0.02 0.00 -0.02 0.00 0.00 33.50 33.11 1ibk n PRO 26 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ibk h LYS 27 N 0.00 0.84 0.00 -0.52 1.57 -1.94 -2.65 116.57 113.88 1ibk h LYS 27 Ca 0.30 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ibk h LYS 27 Cb 0.95 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1ibk h LYS 27 CO -0.17 1.00 0.00 0.34 -0.57 0.00 0.00 179.45 180.05 1ibk n PHE 28 N -4.24 0.00 -0.15 -1.35 7.35 0.18 -3.18 117.46 116.07 1ibk n PHE 28 Ca -0.01 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.89 1ibk n PHE 28 Cb 0.42 -0.25 0.61 0.00 0.35 0.00 0.00 39.48 40.61 1ibk n PHE 28 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ibk h ALA 29 N 2.24 2.43 -0.18 3.13 0.00 -1.57 -0.50 119.26 124.81 1ibk h ALA 29 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ibk h ALA 29 Cb 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ibk h ALA 29 CO 0.00 -0.66 0.12 0.07 0.00 0.00 0.00 179.25 178.78 1ibk h ARG 30 N 0.20 0.14 -0.80 0.00 0.11 -1.81 -1.83 114.38 110.40 1ibk h ARG 30 Ca 0.39 -0.01 -0.32 0.00 0.10 0.00 0.00 59.98 60.13 1ibk h ARG 30 Cb 1.21 -0.03 -0.19 0.00 1.11 0.00 0.00 29.97 32.07 1ibk h ARG 30 CO -0.08 0.09 0.38 0.66 0.10 0.00 0.00 179.97 181.13 1ibk n TYR 31 N -4.51 2.55 -4.58 4.08 0.53 -0.20 -4.95 117.16 110.09 1ibk n TYR 31 Ca 0.00 -1.47 -0.33 0.00 -1.02 0.00 0.00 57.90 55.08 1ibk n TYR 31 Cb 0.15 -0.76 -0.15 0.00 -1.03 0.00 0.00 39.34 37.55 1ibk n TYR 31 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1ibk s ILE 32 N -3.13 2.90 -0.06 -0.72 1.01 -0.69 -2.62 121.20 117.90 1ibk s ILE 32 Ca 0.55 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 1ibk s ILE 32 Cb 0.45 -2.23 -0.30 0.00 0.01 0.00 0.00 42.46 40.39 1ibk s ILE 32 CO 0.11 0.51 0.90 0.22 0.00 0.00 0.00 174.94 176.68 1ibk h TYR 33 N 7.12 0.45 0.00 3.97 3.20 -0.89 -3.44 116.97 127.38 1ibk h TYR 33 Ca -0.30 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.25 1ibk h TYR 33 Cb 1.20 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1ibk h TYR 33 CO 0.51 1.24 0.00 0.00 -1.64 0.00 0.00 178.16 178.27 1ibk n ALA 34 N -2.65 0.00 -2.90 1.82 0.00 -1.16 -4.98 120.51 110.64 1ibk n ALA 34 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 1ibk n ALA 34 Cb 0.75 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.15 1ibk n ALA 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ibk s GLU 35 N -2.00 3.44 -0.17 0.00 2.02 -1.26 0.89 118.70 121.62 1ibk s GLU 35 Ca 0.00 -0.28 -0.11 0.00 0.02 0.00 0.00 54.97 54.60 1ibk s GLU 35 Cb 0.00 -3.11 0.05 0.00 0.10 0.00 0.00 34.13 31.17 1ibk s GLU 35 CO 0.00 0.70 0.41 1.03 0.02 0.00 0.00 175.26 177.42 1ibk s ARG 36 N -1.75 0.42 -1.36 1.61 0.52 0.53 -4.85 118.95 114.07 1ibk s ARG 36 Ca 0.25 0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 56.18 1ibk s ARG 36 Cb -0.12 0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.40 1ibk s ARG 36 CO 0.16 -0.13 0.11 0.09 0.02 0.00 0.00 175.30 175.54 1ibk n ASN 37 N 3.87 -4.76 -0.44 0.23 3.02 -1.26 0.91 115.26 116.84 1ibk n ASN 37 Ca -0.21 0.03 -0.06 0.00 -0.03 0.00 0.00 54.58 54.31 1ibk n ASN 37 Cb 0.56 -3.98 -0.02 0.00 -0.61 0.00 0.00 39.78 35.73 1ibk n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibk n GLY 38 N -0.98 0.79 3.08 7.41 0.00 -1.26 -5.02 105.19 109.20 1ibk n GLY 38 Ca -0.16 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 1ibk n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ibk s ILE 39 N -2.21 1.01 0.91 -0.61 1.01 0.26 -3.34 121.20 118.23 1ibk s ILE 39 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 1ibk s ILE 39 Cb 0.00 -0.85 0.14 0.00 0.01 0.00 0.00 42.46 41.76 1ibk s ILE 39 CO 0.00 0.29 1.09 -1.00 0.00 0.00 0.00 174.94 175.32 1ibk s HIS 40 N -0.22 2.32 -0.18 3.97 3.76 -0.56 0.20 115.29 124.59 1ibk s HIS 40 Ca 0.03 1.17 -0.04 0.00 -0.15 0.00 0.00 55.06 56.07 1ibk s HIS 40 Cb -0.06 -3.19 0.08 0.00 1.11 0.00 0.00 32.58 30.52 1ibk s HIS 40 CO -0.00 -2.45 0.16 0.42 -0.85 0.00 0.00 174.74 172.02 1ibk s ILE 41 N -2.98 -0.21 0.27 0.60 1.01 0.26 -2.44 121.20 117.71 1ibk s ILE 41 Ca 0.64 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 1ibk s ILE 41 Cb -0.18 -0.60 -0.13 0.00 0.01 0.00 0.00 42.46 41.56 1ibk s ILE 41 CO 0.57 -0.21 1.36 -0.38 0.00 0.00 0.00 174.94 176.27 1ibk n ILE 42 N 5.30 1.28 -2.56 2.92 5.41 -1.26 -0.27 119.36 130.17 1ibk n ILE 42 Ca -0.06 -0.32 -0.42 0.00 1.00 0.00 0.00 62.75 62.95 1ibk n ILE 42 Cb 0.49 -1.48 -0.02 0.00 -0.71 0.00 0.00 39.64 37.92 1ibk n ILE 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ibk s ASP 43 N 0.09 6.64 0.43 4.38 -1.08 -1.08 -4.23 116.67 121.83 1ibk s ASP 43 Ca 0.64 -1.91 0.30 0.00 -0.52 0.00 0.00 52.55 51.05 1ibk s ASP 43 Cb -0.63 -2.57 1.42 0.00 -1.46 0.00 0.00 42.92 39.67 1ibk s ASP 43 CO 0.53 -1.37 1.62 -0.07 0.52 0.00 0.00 175.17 176.40 1ibk h LEU 44 N 12.76 0.25 -0.16 -1.34 3.38 -1.90 -0.58 115.31 127.73 1ibk h LEU 44 Ca 0.32 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.45 1ibk h LEU 44 Cb 0.94 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1ibk h LEU 44 CO 1.44 -0.19 -0.25 1.56 0.09 0.00 0.00 178.44 181.09 1ibk h GLN 45 N 0.08 -0.19 -0.63 1.13 7.50 -1.95 0.42 115.11 121.48 1ibk h GLN 45 Ca 0.82 0.01 0.10 0.00 0.50 0.00 0.00 58.65 60.09 1ibk h GLN 45 Cb 2.56 0.04 -0.08 0.00 0.05 0.00 0.00 27.48 30.06 1ibk h GLN 45 CO -0.43 -0.13 0.23 0.87 -1.50 0.00 0.00 178.83 177.87 1ibk h LYS 46 N -0.20 0.40 -1.01 1.46 1.57 -1.54 0.32 116.57 117.58 1ibk h LYS 46 Ca 0.03 -0.02 0.31 0.00 -1.87 0.00 0.00 60.65 59.09 1ibk h LYS 46 Cb 0.28 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.36 1ibk h LYS 46 CO -0.26 0.26 0.58 1.15 -0.57 0.00 0.00 179.45 180.61 1ibk h THR 47 N 0.41 0.35 0.92 -0.16 2.02 -0.38 0.25 112.91 116.32 1ibk h THR 47 Ca 0.32 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 1ibk h THR 47 Cb 0.41 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1ibk h THR 47 CO -0.32 0.07 -0.44 0.24 0.37 0.00 0.00 175.52 175.44 1ibk h MET 48 N 0.38 -1.19 -0.92 6.66 2.86 0.37 0.16 114.93 123.26 1ibk h MET 48 Ca 0.71 0.08 0.18 0.00 -2.06 0.00 0.00 59.70 58.62 1ibk h MET 48 Cb 1.58 0.27 -0.17 0.00 0.06 0.00 0.00 31.60 33.33 1ibk h MET 48 CO -0.57 -0.79 -0.24 0.93 1.06 0.00 0.00 176.91 177.30 1ibk h GLU 49 N -1.30 -0.00 -0.55 1.72 5.08 -0.20 0.99 114.58 120.31 1ibk h GLU 49 Ca -0.13 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1ibk h GLU 49 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1ibk h GLU 49 CO 0.21 -0.00 -0.02 0.93 -1.00 0.00 0.00 179.01 179.13 1ibk h GLU 50 N -0.00 0.99 0.02 2.33 4.39 -0.91 -2.72 114.58 118.67 1ibk h GLU 50 Ca 0.44 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.84 1ibk h GLU 50 Cb 0.67 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1ibk h GLU 50 CO -0.95 1.00 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.38 1ibk h LEU 51 N 0.87 -1.36 0.00 1.33 3.38 0.39 0.49 115.31 120.40 1ibk h LEU 51 Ca 0.15 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ibk h LEU 51 Cb 0.56 0.53 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ibk h LEU 51 CO 0.03 -0.48 0.00 1.21 0.09 0.00 0.00 178.44 179.29 1ibk n GLU 52 N -5.46 0.00 -0.23 1.13 2.13 0.75 0.04 120.64 119.01 1ibk n GLU 52 Ca -0.06 0.26 0.04 0.00 0.66 0.00 0.00 57.16 58.05 1ibk n GLU 52 Cb 0.38 -0.82 0.09 0.00 0.27 0.00 0.00 31.44 31.36 1ibk n GLU 52 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1ibk n ARG 53 N -0.58 -0.06 0.45 5.31 0.63 -1.04 -0.45 116.66 120.93 1ibk n ARG 53 Ca 0.00 0.98 -0.20 0.00 -0.92 0.00 0.00 57.85 57.71 1ibk n ARG 53 Cb 0.00 -1.46 -0.10 0.00 0.45 0.00 0.00 32.46 31.35 1ibk n ARG 53 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1ibk h THR 54 N 0.00 0.00 -0.67 5.15 2.02 0.78 -2.73 112.91 117.45 1ibk h THR 54 Ca 0.30 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.56 1ibk h THR 54 Cb 0.46 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.80 1ibk h THR 54 CO -0.64 0.00 0.33 -0.26 0.37 0.00 0.00 175.52 175.32 1ibk h PHE 55 N -1.23 0.60 -0.99 3.16 -1.00 0.24 0.84 116.94 118.55 1ibk h PHE 55 Ca -0.11 0.03 0.34 0.00 2.81 0.00 0.00 57.97 61.03 1ibk h PHE 55 Cb 0.97 -0.17 -0.18 0.00 3.61 0.00 0.00 35.95 40.19 1ibk h PHE 55 CO -0.07 0.23 0.30 0.00 -1.61 0.00 0.00 178.31 177.16 1ibk h ARG 56 N 0.59 0.03 -0.11 1.51 3.08 -0.77 1.17 114.38 119.88 1ibk h ARG 56 Ca 0.32 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.27 1ibk h ARG 56 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ibk h ARG 56 CO -0.25 0.02 -0.32 0.35 -1.07 0.00 0.00 179.97 178.71 1ibk h PHE 57 N 0.03 0.53 -0.76 3.04 3.57 -0.58 -2.18 116.94 120.59 1ibk h PHE 57 Ca 0.72 -0.21 0.08 0.00 3.53 0.00 0.00 57.97 62.08 1ibk h PHE 57 Cb 1.71 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 40.29 1ibk h PHE 57 CO -0.24 0.93 0.43 0.82 -2.23 0.00 0.00 178.31 178.03 1ibk h ILE 58 N -0.03 0.94 0.07 1.41 2.04 0.22 0.88 117.51 123.04 1ibk h ILE 58 Ca -0.01 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1ibk h ILE 58 Cb 0.94 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1ibk h ILE 58 CO 0.07 0.14 -0.04 -0.08 0.00 0.00 0.00 178.15 178.24 1ibk h GLU 59 N 0.76 -0.10 -0.35 2.37 4.81 -0.91 0.40 114.58 121.56 1ibk h GLU 59 Ca 0.36 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.63 1ibk h GLU 59 Cb 0.28 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1ibk h GLU 59 CO -0.22 0.21 -0.34 0.22 -0.73 0.00 0.00 179.01 178.15 1ibk h ASP 60 N -0.40 -1.17 0.37 1.04 1.82 -0.70 0.99 116.42 118.36 1ibk h ASP 60 Ca -0.01 0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1ibk h ASP 60 Cb 0.35 0.49 -0.00 0.00 0.68 0.00 0.00 39.33 40.85 1ibk h ASP 60 CO 0.02 -0.21 -0.01 0.25 -1.61 0.00 0.00 179.24 177.68 1ibk h LEU 61 N -0.16 0.00 0.35 2.28 6.46 -0.84 -1.71 115.31 121.68 1ibk h LEU 61 Ca 0.06 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1ibk h LEU 61 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1ibk h LEU 61 CO -0.42 0.01 -0.17 0.00 -0.62 0.00 0.00 178.44 177.25 1ibk h ALA 62 N 1.99 -0.69 -0.07 1.25 0.00 0.53 -2.15 119.26 120.11 1ibk h ALA 62 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ibk h ALA 62 Cb 0.20 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ibk h ALA 62 CO 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 179.25 178.60 1ibk h MET 63 N -0.72 0.09 0.00 0.00 -0.00 -0.36 0.86 114.93 114.80 1ibk h MET 63 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1ibk h MET 63 Cb 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1ibk h MET 63 CO 0.08 0.10 0.02 -2.13 -0.00 0.00 0.00 176.91 174.98 1ibk n ARG 64 N -4.49 0.13 -0.75 -0.10 0.63 -0.65 -4.80 116.66 106.64 1ibk n ARG 64 Ca -0.02 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 1ibk n ARG 64 Cb 0.12 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.06 1ibk n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ibk n GLY 65 N -1.30 0.54 0.00 5.14 0.00 0.29 -5.07 105.19 104.80 1ibk n GLY 65 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1ibk n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibk n GLY 66 N -2.75 -0.58 3.54 -0.02 0.00 -0.81 -5.06 105.19 99.50 1ibk n GLY 66 Ca 0.00 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 1ibk n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibk s THR 67 N -0.33 2.22 -0.40 2.61 2.01 -1.26 -4.90 115.64 115.59 1ibk s THR 67 Ca 0.00 -2.21 0.05 0.00 0.31 0.00 0.00 61.69 59.84 1ibk s THR 67 Cb 0.00 -2.63 0.17 0.00 0.01 0.00 0.00 72.50 70.05 1ibk s THR 67 CO 0.00 -0.21 0.47 -0.63 -0.69 0.00 0.00 174.62 173.56 1ibk s ILE 68 N -2.63 -0.47 -0.12 1.82 1.01 -1.26 -3.17 121.20 116.38 1ibk s ILE 68 Ca 0.32 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 1ibk s ILE 68 Cb 0.02 -0.52 -0.07 0.00 0.01 0.00 0.00 42.46 41.91 1ibk s ILE 68 CO 0.16 -0.48 2.13 -0.11 0.00 0.00 0.00 174.94 176.65 1ibk n LEU 69 N 3.92 3.61 -4.68 2.97 0.00 -1.15 -4.66 117.00 117.01 1ibk n LEU 69 Ca 0.14 0.47 -0.40 0.00 0.00 0.00 0.00 56.01 56.22 1ibk n LEU 69 Cb 0.49 -1.55 -0.05 0.00 0.00 0.00 0.00 43.42 42.31 1ibk n LEU 69 CO 0.06 -0.35 0.40 -0.36 0.00 0.00 0.00 177.39 177.14 1ibk s PHE 70 N 6.86 3.44 -0.16 1.96 0.40 -1.14 -1.75 117.98 127.59 1ibk s PHE 70 Ca 0.96 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 58.35 1ibk s PHE 70 Cb -0.37 -2.81 0.01 0.00 0.51 0.00 0.00 43.02 40.35 1ibk s PHE 70 CO 0.38 -0.10 -0.19 0.08 0.70 0.00 0.00 175.22 176.09 1ibk s VAL 71 N 1.60 2.25 -0.31 -0.44 1.01 -0.53 -2.65 120.40 121.34 1ibk s VAL 71 Ca 0.32 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1ibk s VAL 71 Cb -0.16 -1.93 0.15 0.00 0.00 0.00 0.00 36.38 34.44 1ibk s VAL 71 CO 0.12 0.53 0.37 -0.83 0.00 0.00 0.00 175.10 175.30 1ibk s GLY 72 N 1.01 -0.35 -0.00 4.51 0.00 -0.56 -2.72 107.32 109.21 1ibk s GLY 72 Ca -0.02 -0.19 0.22 0.00 0.00 0.00 0.00 44.72 44.73 1ibk s GLY 72 CO -0.05 2.88 0.54 2.41 0.00 0.00 0.00 173.10 178.88 1ibk n THR 73 N 5.10 0.08 -1.64 0.90 -1.04 -1.26 -3.95 114.28 112.48 1ibk n THR 73 Ca 0.02 -0.51 -0.38 0.00 -2.04 0.00 0.00 64.05 61.14 1ibk n THR 73 Cb 0.48 -0.04 0.05 0.00 -1.82 0.00 0.00 70.33 68.99 1ibk n THR 73 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ibk n LYS 74 N -2.31 1.07 -0.03 -2.82 4.81 -1.26 -4.79 118.16 112.82 1ibk n LYS 74 Ca -0.04 0.41 -0.14 0.00 -0.87 0.00 0.00 58.31 57.67 1ibk n LYS 74 Cb 0.57 -2.25 -0.10 0.00 0.02 0.00 0.00 35.03 33.28 1ibk n LYS 74 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1ibk h LYS 75 N 0.72 0.23 -1.00 1.64 1.79 -1.96 -0.65 116.57 117.34 1ibk h LYS 75 Ca -0.49 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 1ibk h LYS 75 Cb 1.35 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1ibk h LYS 75 CO 0.52 0.82 0.00 1.04 -1.08 0.00 0.00 179.45 180.75 1ibk n GLN 76 N -4.54 0.23 0.00 3.15 1.13 -1.26 -2.34 117.38 113.75 1ibk n GLN 76 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1ibk n GLN 76 Cb 0.44 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.54 1ibk n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ibk n ALA 77 N 0.63 0.00 -0.42 -1.58 0.00 -1.22 -4.04 120.51 113.88 1ibk n ALA 77 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.84 1ibk n ALA 77 Cb 0.09 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.30 1ibk n ALA 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ibk h GLN 78 N 0.00 0.01 0.00 0.00 4.15 -0.71 -2.07 115.11 116.48 1ibk h GLN 78 Ca 0.00 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1ibk h GLN 78 Cb 0.18 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1ibk h GLN 78 CO 0.00 0.00 -0.89 -0.25 -1.93 0.00 0.00 178.83 175.77 1ibk n ASP 79 N -4.13 1.85 -0.26 -0.69 8.00 -1.26 -3.89 116.55 116.17 1ibk n ASP 79 Ca 0.30 0.52 0.25 0.00 0.71 0.00 0.00 54.79 56.57 1ibk n ASP 79 Cb 1.44 -0.87 0.44 0.00 -0.02 0.00 0.00 41.12 42.11 1ibk n ASP 79 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ibk n ILE 80 N -4.53 -0.27 0.06 0.53 5.41 -0.95 0.14 119.36 119.75 1ibk n ILE 80 Ca -0.17 1.43 -0.02 0.00 1.00 0.00 0.00 62.75 64.98 1ibk n ILE 80 Cb 0.44 -2.32 -0.01 0.00 -0.71 0.00 0.00 39.64 37.03 1ibk n ILE 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1ibk h VAL 81 N 0.00 0.00 -0.88 1.39 2.07 -1.56 -2.39 116.25 114.88 1ibk h VAL 81 Ca 0.62 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 68.21 1ibk h VAL 81 Cb 1.72 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.38 1ibk h VAL 81 CO -0.50 0.00 -0.46 -1.14 0.02 0.00 0.00 177.57 175.49 1ibk n ARG 82 N -2.49 -0.32 0.00 1.57 0.63 0.12 0.85 116.66 117.02 1ibk n ARG 82 Ca -0.02 1.33 0.00 0.00 -0.92 0.00 0.00 57.85 58.24 1ibk n ARG 82 Cb 0.06 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.00 1ibk n ARG 82 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1ibk n MET 83 N -5.17 0.00 -0.24 -0.14 2.81 -0.85 0.83 117.12 114.37 1ibk n MET 83 Ca 0.04 0.61 0.05 0.00 -1.81 0.00 0.00 57.70 56.58 1ibk n MET 83 Cb 0.27 -1.27 0.16 0.00 -0.71 0.00 0.00 33.22 31.67 1ibk n MET 83 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1ibk h GLU 84 N 0.00 0.21 -0.88 0.03 4.39 -0.79 0.25 114.58 117.79 1ibk h GLU 84 Ca 0.00 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1ibk h GLU 84 Cb 0.00 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1ibk h GLU 84 CO 0.00 0.14 0.59 0.00 -1.16 0.00 0.00 179.01 178.57 1ibk h ALA 85 N 1.61 1.38 -0.26 3.43 0.00 0.79 -1.29 119.26 124.92 1ibk h ALA 85 Ca 0.39 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 1ibk h ALA 85 Cb 0.67 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ibk h ALA 85 CO -0.53 0.57 -0.48 0.93 0.00 0.00 0.00 179.25 179.73 1ibk h GLU 86 N 1.19 0.71 -0.54 0.00 5.08 0.26 -3.07 114.58 118.21 1ibk h GLU 86 Ca 0.33 -0.41 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1ibk h GLU 86 Cb -0.11 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1ibk h GLU 86 CO -0.08 1.03 0.37 -0.09 -1.00 0.00 0.00 179.01 179.25 1ibk h ARG 87 N 0.56 0.23 -6.22 2.33 2.43 0.58 -3.40 114.38 110.89 1ibk h ARG 87 Ca 0.03 -0.01 -0.47 0.00 -0.81 0.00 0.00 59.98 58.71 1ibk h ARG 87 Cb 1.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1ibk h ARG 87 CO 0.10 0.15 -0.44 0.00 -1.51 0.00 0.00 179.97 178.27 1ibk s ALA 88 N -5.24 3.89 -0.47 2.80 0.00 -1.04 -4.93 121.76 116.77 1ibk s ALA 88 Ca -0.07 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1ibk s ALA 88 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1ibk s ALA 88 CO 0.74 0.14 0.40 0.41 0.00 0.00 0.00 175.76 177.45 1ibk n GLY 89 N -1.39 0.93 3.89 0.00 0.00 -1.26 -4.80 105.19 102.56 1ibk n GLY 89 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1ibk n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ibk s MET 90 N -0.22 3.72 0.71 1.61 -1.94 -1.20 -5.05 119.30 116.92 1ibk s MET 90 Ca 0.00 0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.26 1ibk s MET 90 Cb 0.00 -2.52 0.13 0.00 2.01 0.00 0.00 34.83 34.46 1ibk s MET 90 CO 0.00 0.09 0.97 -2.14 -0.01 0.00 0.00 175.02 173.93 1ibk s PRO 91 N -3.66 1.72 0.33 2.03 0.02 -1.26 -4.33 135.00 129.85 1ibk s PRO 91 Ca 0.48 -1.35 -0.17 0.00 0.02 0.00 0.00 61.00 59.97 1ibk s PRO 91 Cb -0.10 -2.40 0.06 0.00 0.02 0.00 0.00 34.50 32.07 1ibk s PRO 91 CO 0.30 -1.40 0.88 1.52 -0.33 0.00 0.00 177.00 177.97 1ibk s TYR 92 N -3.06 0.12 -0.13 6.54 -0.85 -1.23 -2.90 117.35 115.84 1ibk s TYR 92 Ca 0.67 -0.73 -0.05 0.00 -0.52 0.00 0.00 57.07 56.44 1ibk s TYR 92 Cb -0.04 0.80 0.06 0.00 0.38 0.00 0.00 41.96 43.16 1ibk s TYR 92 CO 0.44 -1.38 0.28 0.08 -1.52 0.00 0.00 175.55 173.44 1ibk s VAL 93 N -2.15 -0.38 0.06 -3.49 1.01 -1.08 -0.68 120.40 113.68 1ibk s VAL 93 Ca 0.18 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1ibk s VAL 93 Cb -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1ibk s VAL 93 CO 0.10 0.10 0.00 0.59 0.00 0.00 0.00 175.10 175.89 1ibk n ASN 94 N 5.19 0.54 0.00 3.32 3.02 -1.25 -1.50 115.26 124.57 1ibk n ASN 94 Ca -0.09 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1ibk n ASN 94 Cb 0.50 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1ibk n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibk n GLN 95 N -3.24 0.00 -3.84 3.52 1.13 -1.26 -4.22 117.38 109.47 1ibk n GLN 95 Ca 0.00 0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 54.98 1ibk n GLN 95 Cb 0.23 -0.55 -0.11 0.00 0.11 0.00 0.00 30.24 29.93 1ibk n GLN 95 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1ibk s ARG 96 N -0.09 0.38 -1.30 -1.09 6.06 -1.26 -4.86 118.95 116.79 1ibk s ARG 96 Ca 0.00 -0.14 -0.17 0.00 -2.50 0.00 0.00 55.73 52.93 1ibk s ARG 96 Cb 0.00 0.17 0.08 0.00 0.06 0.00 0.00 34.95 35.26 1ibk s ARG 96 CO 0.00 -0.08 1.73 1.87 -2.50 0.00 0.00 175.30 176.31 1ibk n TRP 97 N 2.04 4.62 -0.88 5.12 -0.00 -1.26 -4.98 117.44 122.11 1ibk n TRP 97 Ca -0.19 -2.93 -0.30 0.00 -0.00 0.00 0.00 57.50 54.09 1ibk n TRP 97 Cb 0.57 -2.56 -0.02 0.00 -0.00 0.00 0.00 31.31 29.31 1ibk n TRP 97 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1ibk n LEU 98 N 7.77 -1.01 -4.58 5.87 4.77 -1.26 -4.73 117.00 123.83 1ibk n LEU 98 Ca 0.47 0.68 -0.41 0.00 -0.03 0.00 0.00 56.01 56.72 1ibk n LEU 98 Cb 0.45 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1ibk n LEU 98 CO 0.76 -2.06 1.64 -0.83 -1.33 0.00 0.00 177.39 175.57 1ibk s GLY 99 N -0.64 0.48 0.00 -0.72 0.00 -1.26 -2.67 107.32 102.51 1ibk s GLY 99 Ca 0.40 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1ibk s GLY 99 CO 0.37 3.46 0.00 0.61 0.00 0.00 0.00 173.10 177.54 1ibk n GLY 100 N 5.59 1.31 0.40 0.20 0.00 -1.26 -4.82 105.19 106.61 1ibk n GLY 100 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1ibk n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ibk h MET 101 N 0.00 -0.38 0.00 1.61 0.00 -1.83 1.12 114.93 115.45 1ibk h MET 101 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 59.70 59.73 1ibk h MET 101 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 31.60 31.69 1ibk h MET 101 CO 0.00 -0.25 -0.01 -0.07 0.00 0.00 0.00 176.91 176.57 1ibk h LEU 102 N -0.39 0.00 -2.00 1.22 4.07 -1.94 -2.01 115.31 114.26 1ibk h LEU 102 Ca 0.11 0.00 0.36 0.00 0.08 0.00 0.00 57.88 58.43 1ibk h LEU 102 Cb 0.60 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.29 1ibk h LEU 102 CO -0.52 0.12 0.91 0.74 -1.08 0.00 0.00 178.44 178.61 1ibk h THR 103 N -0.23 0.37 0.00 0.22 2.02 -1.84 0.33 112.91 113.77 1ibk h THR 103 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1ibk h THR 103 Cb 0.01 0.37 -0.07 0.00 -1.74 0.00 0.00 68.15 66.73 1ibk h THR 103 CO 0.00 0.00 -0.48 -3.20 0.37 0.00 0.00 175.52 172.21 1ibk n ASN 104 N -4.15 1.60 -0.30 4.18 2.85 0.38 -4.85 115.26 114.96 1ibk n ASN 104 Ca 0.27 -3.24 -0.08 0.00 -0.11 0.00 0.00 54.58 51.42 1ibk n ASN 104 Cb 1.32 -0.44 -0.07 0.00 1.24 0.00 0.00 39.78 41.82 1ibk n ASN 104 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1ibk n PHE 105 N -0.83 -0.32 -0.45 1.20 7.35 0.12 0.83 117.46 125.36 1ibk n PHE 105 Ca 0.15 0.91 0.37 0.00 -0.76 0.00 0.00 57.45 58.12 1ibk n PHE 105 Cb 0.76 -0.55 0.62 0.00 0.35 0.00 0.00 39.48 40.66 1ibk n PHE 105 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1ibk n LYS 106 N -4.73 -0.03 -0.09 -4.13 4.81 -1.26 -1.18 118.16 111.55 1ibk n LYS 106 Ca 0.01 1.11 -0.22 0.00 -0.87 0.00 0.00 58.31 58.34 1ibk n LYS 106 Cb 0.19 -2.22 -0.12 0.00 0.02 0.00 0.00 35.03 32.90 1ibk n LYS 106 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1ibk n THR 107 N -4.41 1.57 0.19 3.15 -1.04 0.24 -4.00 114.28 109.98 1ibk n THR 107 Ca 0.37 -0.13 0.18 0.00 -2.04 0.00 0.00 64.05 62.43 1ibk n THR 107 Cb 1.45 -1.99 0.82 0.00 -1.82 0.00 0.00 70.33 68.79 1ibk n THR 107 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1ibk h ILE 108 N -0.86 0.40 -0.58 12.58 2.04 -0.60 0.41 117.51 130.90 1ibk h ILE 108 Ca -0.38 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.59 1ibk h ILE 108 Cb 1.42 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 38.20 1ibk h ILE 108 CO -0.19 0.00 0.09 0.77 0.00 0.00 0.00 178.15 178.82 1ibk h SER 109 N 0.00 -0.07 -1.05 1.72 4.64 -1.28 0.21 113.55 117.72 1ibk h SER 109 Ca 0.10 0.12 0.30 0.00 -0.47 0.00 0.00 61.79 61.84 1ibk h SER 109 Cb 0.63 0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 1ibk h SER 109 CO -0.00 -0.02 0.88 1.56 -0.87 0.00 0.00 176.83 178.38 1ibk h GLN 110 N 0.21 0.00 0.00 4.77 4.20 -1.09 1.29 115.11 124.49 1ibk h GLN 110 Ca 0.30 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.86 1ibk h GLN 110 Cb 0.45 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1ibk h GLN 110 CO -0.41 0.00 -0.69 0.00 -0.67 0.00 0.00 178.83 177.05 1ibk h ARG 111 N 0.00 0.00 -0.03 1.46 2.47 -0.71 -2.42 114.38 115.15 1ibk h ARG 111 Ca 0.50 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 59.00 1ibk h ARG 111 Cb 2.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.57 1ibk h ARG 111 CO -0.01 0.69 -0.88 0.28 0.56 0.00 0.00 179.97 180.62 1ibk h VAL 112 N 0.00 1.39 0.07 2.04 2.07 0.17 -2.81 116.25 119.18 1ibk h VAL 112 Ca -0.01 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 65.16 1ibk h VAL 112 Cb 1.24 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1ibk h VAL 112 CO 0.09 0.70 -0.09 0.45 0.02 0.00 0.00 177.57 178.75 1ibk h HIS 113 N 0.25 -0.24 -0.97 1.57 3.86 -1.09 -1.57 115.15 116.96 1ibk h HIS 113 Ca -0.06 0.00 0.39 0.00 -1.16 0.00 0.00 60.37 59.54 1ibk h HIS 113 Cb 1.49 0.10 -0.18 0.00 1.06 0.00 0.00 27.41 29.88 1ibk h HIS 113 CO 0.06 -0.11 0.47 0.54 0.86 0.00 0.00 177.93 179.74 1ibk n ARG 114 N -2.83 -0.06 0.00 2.45 5.12 -0.93 0.11 116.66 120.51 1ibk n ARG 114 Ca -0.02 1.35 0.00 0.00 -1.93 0.00 0.00 57.85 57.26 1ibk n ARG 114 Cb 0.08 -2.40 0.00 0.00 -1.16 0.00 0.00 32.46 28.98 1ibk n ARG 114 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ibk n LEU 115 N -5.23 0.00 -0.43 0.55 7.94 -0.72 0.70 117.00 119.81 1ibk n LEU 115 Ca 0.35 0.75 0.36 0.00 -1.11 0.00 0.00 56.01 56.37 1ibk n LEU 115 Cb 1.20 -0.25 0.68 0.00 0.53 0.00 0.00 43.42 45.57 1ibk n LEU 115 CO 0.00 -0.25 1.30 -0.33 -1.11 0.00 0.00 177.39 177.00 1ibk h GLU 116 N 0.00 0.11 -0.31 1.96 5.08 -0.10 0.85 114.58 122.18 1ibk h GLU 116 Ca 0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1ibk h GLU 116 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1ibk h GLU 116 CO 0.00 0.07 -0.29 1.49 -1.00 0.00 0.00 179.01 179.29 1ibk h GLU 117 N 0.12 0.64 0.02 2.33 4.81 0.15 -2.83 114.58 119.82 1ibk h GLU 117 Ca 0.71 -0.27 -0.28 0.00 -0.13 0.00 0.00 59.36 59.39 1ibk h GLU 117 Cb 2.44 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.76 1ibk h GLU 117 CO -0.20 0.86 -1.54 -0.07 -0.73 0.00 0.00 179.01 177.33 1ibk h LEU 118 N 0.55 0.07 -0.54 1.64 3.38 0.65 -3.13 115.31 117.93 1ibk h LEU 118 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ibk h LEU 118 Cb 0.77 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ibk h LEU 118 CO 0.06 1.10 0.00 -0.62 0.09 0.00 0.00 178.44 179.07 1ibk n GLU 119 N -3.19 0.06 0.05 1.13 1.02 0.74 -1.93 120.64 118.52 1ibk n GLU 119 Ca -0.14 0.53 -0.03 0.00 -0.02 0.00 0.00 57.16 57.50 1ibk n GLU 119 Cb 1.02 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 30.75 1ibk n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ibk h ALA 120 N 2.05 -0.28 -2.14 0.62 0.00 -1.44 -3.40 119.26 114.66 1ibk h ALA 120 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ibk h ALA 120 Cb 0.04 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ibk h ALA 120 CO 0.00 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.26 1ibk n LEU 121 N -3.78 0.00 -4.58 0.00 4.77 -0.81 -3.69 117.00 108.92 1ibk n LEU 121 Ca -0.02 0.64 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 1ibk n LEU 121 Cb 0.07 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 1ibk n LEU 121 CO 0.06 -0.14 1.10 -0.36 -1.33 0.00 0.00 177.39 176.71 1ibk s PHE 122 N -1.57 1.20 0.00 -1.77 0.08 -1.06 0.20 117.98 115.06 1ibk s PHE 122 Ca 0.00 2.32 0.00 0.00 0.12 0.00 0.00 56.93 59.37 1ibk s PHE 122 Cb 0.00 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 1ibk s PHE 122 CO 0.00 -0.73 0.00 0.00 -0.10 0.00 0.00 175.22 174.39 1ibk n ALA 123 N 19.72 0.00 -2.51 5.36 0.00 -1.24 -4.84 120.51 137.00 1ibk n ALA 123 Ca 0.42 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.61 1ibk n ALA 123 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 1ibk n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ibk s SER 124 N 0.00 2.72 0.28 0.00 1.04 0.13 -5.01 113.70 112.87 1ibk s SER 124 Ca 0.00 -1.60 0.21 0.00 0.48 0.00 0.00 55.95 55.04 1ibk s SER 124 Cb 0.00 0.37 1.06 0.00 0.10 0.00 0.00 66.02 67.54 1ibk s SER 124 CO 0.00 -0.85 1.64 -0.81 0.98 0.00 0.00 173.24 174.20 1ibk n PRO 125 N -0.87 0.14 0.32 4.02 -0.04 -1.26 -1.62 135.00 135.70 1ibk n PRO 125 Ca -0.06 0.57 0.20 0.00 -0.04 0.00 0.00 63.50 64.18 1ibk n PRO 125 Cb 0.65 -1.91 1.07 0.00 -0.04 0.00 0.00 33.50 33.27 1ibk n PRO 125 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ibk h GLU 126 N 0.00 0.00 -0.18 0.54 3.07 -1.92 -2.93 114.58 113.16 1ibk h GLU 126 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1ibk h GLU 126 Cb 0.10 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.95 1ibk h GLU 126 CO 0.00 0.00 -0.44 0.82 -1.40 0.00 0.00 179.01 177.99 1ibk h ILE 127 N 0.00 0.00 -0.59 3.13 2.04 -1.40 -3.19 117.51 117.50 1ibk h ILE 127 Ca 0.01 0.00 -0.65 0.00 1.00 0.00 0.00 64.86 65.22 1ibk h ILE 127 Cb 0.22 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.24 1ibk h ILE 127 CO -0.00 0.00 2.28 -0.62 0.00 0.00 0.00 178.15 179.81 1ibk n GLU 128 N -4.86 2.87 -3.81 2.37 4.71 -1.11 -4.88 120.64 115.94 1ibk n GLU 128 Ca -0.04 -2.98 -0.13 0.00 -0.01 0.00 0.00 57.16 54.00 1ibk n GLU 128 Cb 0.29 -3.46 -0.13 0.00 -1.01 0.00 0.00 31.44 27.14 1ibk n GLU 128 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1ibk s GLU 129 N 4.30 0.17 0.39 3.49 2.02 -1.21 -5.11 118.70 122.75 1ibk s GLU 129 Ca 0.54 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.78 1ibk s GLU 129 Cb 0.06 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.34 1ibk s GLU 129 CO 0.05 -0.04 0.00 0.54 0.02 0.00 0.00 175.26 175.83 1ibk n ARG 130 N 3.18 -2.28 -1.30 1.61 5.12 -1.26 -4.70 116.66 117.04 1ibk n ARG 130 Ca -0.15 1.78 -0.47 0.00 -1.93 0.00 0.00 57.85 57.09 1ibk n ARG 130 Cb 0.58 -2.69 -0.04 0.00 -1.16 0.00 0.00 32.46 29.15 1ibk n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1ibk n PRO 131 N -3.72 0.00 0.21 5.56 -0.04 -1.26 -4.65 135.00 131.10 1ibk n PRO 131 Ca -0.05 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1ibk n PRO 131 Cb 0.48 -1.06 0.68 0.00 -0.04 0.00 0.00 33.50 33.56 1ibk n PRO 131 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ibk h LYS 132 N 1.52 0.00 0.28 0.54 1.57 -1.94 -0.05 116.57 118.48 1ibk h LYS 132 Ca -0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1ibk h LYS 132 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1ibk h LYS 132 CO 0.54 0.00 -0.13 0.87 -0.57 0.00 0.00 179.45 180.16 1ibk h LYS 133 N 0.00 -0.36 0.00 3.15 1.57 -1.97 -3.04 116.57 115.92 1ibk h LYS 133 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ibk h LYS 133 Cb 0.17 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ibk h LYS 133 CO 0.00 -0.08 0.00 0.93 -0.57 0.00 0.00 179.45 179.73 1ibk h GLU 134 N -1.01 0.00 -0.56 3.15 5.08 -1.62 0.28 114.58 119.90 1ibk h GLU 134 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ibk h GLU 134 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1ibk h GLU 134 CO 0.06 0.00 0.00 0.94 -1.00 0.00 0.00 179.01 179.01 1ibk n GLN 135 N -3.07 0.73 0.00 2.33 7.27 -0.13 -2.43 117.38 122.08 1ibk n GLN 135 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1ibk n GLN 135 Cb 0.16 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.53 1ibk n GLN 135 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ibk n VAL 136 N -0.01 0.00 -0.14 1.69 0.31 0.95 -4.38 118.33 116.74 1ibk n VAL 136 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1ibk n VAL 136 Cb 0.14 -0.09 0.21 0.00 -0.91 0.00 0.00 33.84 33.19 1ibk n VAL 136 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ibk h ARG 137 N 0.00 0.85 0.31 5.55 3.08 -1.12 -1.27 114.38 121.78 1ibk h ARG 137 Ca 0.00 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1ibk h ARG 137 Cb 0.11 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ibk h ARG 137 CO 0.00 0.72 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.40 1ibk h LEU 138 N 0.83 -0.35 -1.47 3.04 3.38 -1.78 0.12 115.31 119.08 1ibk h LEU 138 Ca 0.19 -0.14 0.48 0.00 0.09 0.00 0.00 57.88 58.50 1ibk h LEU 138 Cb 0.20 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 1ibk h LEU 138 CO -0.01 0.12 0.99 0.29 0.09 0.00 0.00 178.44 179.91 1ibk n LYS 139 N -5.06 -0.02 -0.08 1.13 4.76 -1.07 0.16 118.16 117.97 1ibk n LYS 139 Ca -0.08 1.13 -0.16 0.00 -2.87 0.00 0.00 58.31 56.34 1ibk n LYS 139 Cb 0.24 -2.34 -0.11 0.00 -1.84 0.00 0.00 35.03 30.99 1ibk n LYS 139 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ibk h HIS 140 N 0.00 0.00 -1.60 2.13 3.86 -1.11 -3.10 115.15 115.33 1ibk h HIS 140 Ca 0.85 0.00 0.46 0.00 -1.16 0.00 0.00 60.37 60.52 1ibk h HIS 140 Cb 2.95 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 31.35 1ibk h HIS 140 CO -0.00 1.07 1.14 1.49 0.86 0.00 0.00 177.93 182.49 1ibk h GLU 141 N -1.00 0.01 0.12 2.45 4.81 0.25 0.48 114.58 121.70 1ibk h GLU 141 Ca -0.14 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1ibk h GLU 141 Cb 1.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1ibk h GLU 141 CO -0.08 0.01 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.07 1ibk h LEU 142 N 0.01 -0.14 0.00 1.64 3.38 -1.38 -3.14 115.31 115.68 1ibk h LEU 142 Ca 0.77 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.74 1ibk h LEU 142 Cb 3.05 0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.83 1ibk h LEU 142 CO -0.03 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.00 1ibk n GLU 143 N -3.63 0.00 0.03 1.13 -0.58 0.17 0.19 120.64 117.95 1ibk n GLU 143 Ca -0.02 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.60 1ibk n GLU 143 Cb 0.06 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.87 1ibk n GLU 143 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1ibk h ARG 144 N 0.00 0.01 -0.66 3.49 -0.00 -1.67 0.13 114.38 115.68 1ibk h ARG 144 Ca 0.00 -0.00 0.12 0.00 -0.00 0.00 0.00 59.98 60.10 1ibk h ARG 144 Cb 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 29.84 1ibk h ARG 144 CO 0.00 0.01 -0.31 -0.07 -0.00 0.00 0.00 179.97 179.60 1ibk h LEU 145 N 0.01 -1.08 -1.87 0.08 3.38 0.22 2.36 115.31 118.41 1ibk h LEU 145 Ca 0.01 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1ibk h LEU 145 Cb 0.01 0.57 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ibk h LEU 145 CO -0.02 -0.29 -0.12 1.56 0.09 0.00 0.00 178.44 179.66 1ibk h GLN 146 N -0.11 0.00 0.12 1.13 4.20 0.17 0.01 115.11 120.62 1ibk h GLN 146 Ca 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1ibk h GLN 146 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ibk h GLN 146 CO -0.72 0.12 -0.06 0.87 -0.67 0.00 0.00 178.83 178.37 1ibk h LYS 147 N 0.00 -0.15 0.00 1.46 1.57 0.66 -3.24 116.57 116.87 1ibk h LYS 147 Ca -0.00 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 1ibk h LYS 147 Cb 0.35 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1ibk h LYS 147 CO 0.02 0.28 -1.53 0.66 -0.57 0.00 0.00 179.45 178.31 1ibk n TYR 148 N -4.94 0.84 -1.13 -1.35 0.53 0.51 -4.29 117.16 107.33 1ibk n TYR 148 Ca -0.09 0.28 -0.05 0.00 -1.02 0.00 0.00 57.90 57.02 1ibk n TYR 148 Cb 0.26 -1.04 0.27 0.00 -1.03 0.00 0.00 39.34 37.79 1ibk n TYR 148 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1ibk n LEU 149 N -2.83 5.44 0.28 7.72 4.77 -0.02 -4.74 117.00 127.62 1ibk n LEU 149 Ca -0.11 -3.33 -0.15 0.00 -0.03 0.00 0.00 56.01 52.39 1ibk n LEU 149 Cb 0.84 -0.70 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1ibk n LEU 149 CO 0.43 0.89 0.52 0.77 -1.33 0.00 0.00 177.39 178.67 1ibk h SER 150 N 2.06 -1.04 0.13 -1.43 4.64 -1.73 -2.91 113.55 113.26 1ibk h SER 150 Ca 0.25 0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 61.42 1ibk h SER 150 Cb 2.12 0.33 0.01 0.00 -0.31 0.00 0.00 62.40 64.55 1ibk h SER 150 CO 0.63 -0.56 -1.03 1.23 -0.87 0.00 0.00 176.83 176.23 1ibk h GLY 151 N -0.86 0.32 -0.19 -0.77 0.00 -1.85 -3.26 103.07 96.45 1ibk h GLY 151 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1ibk h GLY 151 CO 0.01 0.71 0.00 0.33 0.00 0.00 0.00 176.54 177.59 1ibk n PHE 152 N -4.06 0.00 0.09 5.60 7.35 0.14 -1.63 117.46 124.95 1ibk n PHE 152 Ca -0.18 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.38 1ibk n PHE 152 Cb 0.85 -0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.58 1ibk n PHE 152 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1ibk h ARG 153 N 0.18 0.24 0.60 -4.13 2.43 -1.55 -3.38 114.38 108.77 1ibk h ARG 153 Ca 0.00 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 1ibk h ARG 153 Cb 0.01 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1ibk h ARG 153 CO 0.00 1.13 -0.29 -0.07 -1.51 0.00 0.00 179.97 179.23 1ibk h LEU 154 N 0.09 -0.68 -4.49 3.80 3.38 -1.57 -3.46 115.31 112.38 1ibk h LEU 154 Ca -0.10 0.02 -0.36 0.00 0.09 0.00 0.00 57.88 57.53 1ibk h LEU 154 Cb 1.82 0.18 0.04 0.00 0.09 0.00 0.00 40.66 42.79 1ibk h LEU 154 CO 0.18 -0.35 -0.12 0.18 0.09 0.00 0.00 178.44 178.42 1ibk n LEU 155 N -4.95 -0.32 0.00 1.67 4.77 -1.26 -4.87 117.00 112.04 1ibk n LEU 155 Ca -0.10 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1ibk n LEU 155 Cb 0.32 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1ibk n LEU 155 CO 0.24 -1.23 0.28 1.17 -1.33 0.00 0.00 177.39 176.53 1ibk n LYS 156 N 0.62 0.74 -3.60 3.23 0.00 -1.26 -5.04 118.16 112.86 1ibk n LYS 156 Ca 0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 58.31 57.61 1ibk n LYS 156 Cb 0.08 -0.75 -0.05 0.00 0.00 0.00 0.00 35.03 34.31 1ibk n LYS 156 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1ibk s ARG 157 N -0.31 0.41 0.20 1.64 1.70 -1.26 -5.13 118.95 116.19 1ibk s ARG 157 Ca 0.00 0.12 -0.25 0.00 -0.47 0.00 0.00 55.73 55.13 1ibk s ARG 157 Cb 0.00 0.19 -0.15 0.00 -0.57 0.00 0.00 34.95 34.42 1ibk s ARG 157 CO 0.00 -0.12 0.43 1.28 -1.08 0.00 0.00 175.30 175.81 1ibk n LEU 158 N 0.75 -1.31 -4.36 -1.89 4.77 -1.26 -4.89 117.00 108.81 1ibk n LEU 158 Ca -0.07 1.00 -0.30 0.00 -0.03 0.00 0.00 56.01 56.61 1ibk n LEU 158 Cb 0.58 -0.86 0.28 0.00 -2.33 0.00 0.00 43.42 41.09 1ibk n LEU 158 CO 0.12 -2.86 0.44 -2.16 -1.33 0.00 0.00 177.39 171.60 1ibk s PRO 159 N -0.91 -2.29 0.00 3.23 0.04 -1.26 -4.93 135.00 128.88 1ibk s PRO 159 Ca 0.58 0.42 0.17 0.00 0.04 0.00 0.00 61.00 62.21 1ibk s PRO 159 Cb -0.82 -1.43 -0.17 0.00 0.04 0.00 0.00 34.50 32.13 1ibk s PRO 159 CO 0.52 -4.53 0.73 -0.25 0.04 0.00 0.00 177.00 173.51 1ibk n ASP 160 N -5.43 0.86 -2.45 6.66 8.00 -1.23 -5.00 116.55 117.96 1ibk n ASP 160 Ca 0.08 -0.93 -0.05 0.00 0.71 0.00 0.00 54.79 54.60 1ibk n ASP 160 Cb 0.58 0.96 0.02 0.00 -0.02 0.00 0.00 41.12 42.66 1ibk n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ibk n ALA 161 N -1.30 -1.53 -3.58 2.24 0.00 -1.19 -4.34 120.51 110.81 1ibk n ALA 161 Ca 0.03 -0.90 -0.07 0.00 0.00 0.00 0.00 53.44 52.50 1ibk n ALA 161 Cb 0.27 0.67 -0.08 0.00 0.00 0.00 0.00 19.45 20.31 1ibk n ALA 161 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ibk s ILE 162 N -2.28 -0.71 -0.39 0.00 1.01 -0.49 -2.96 121.20 115.38 1ibk s ILE 162 Ca 0.13 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.78 1ibk s ILE 162 Cb -0.03 -0.75 0.04 0.00 0.01 0.00 0.00 42.46 41.73 1ibk s ILE 162 CO 0.08 0.03 0.23 0.12 0.00 0.00 0.00 174.94 175.39 1ibk s PHE 163 N 2.66 3.27 0.13 3.97 5.36 -0.72 0.23 117.98 132.88 1ibk s PHE 163 Ca 0.01 -1.11 0.09 0.00 -0.96 0.00 0.00 56.93 54.96 1ibk s PHE 163 Cb -0.13 -2.60 -0.04 0.00 -0.34 0.00 0.00 43.02 39.91 1ibk s PHE 163 CO -0.14 -0.71 -0.15 0.54 -1.46 0.00 0.00 175.22 173.30 1ibk s VAL 164 N 1.52 3.00 0.00 3.12 0.11 0.34 -1.45 120.40 127.04 1ibk s VAL 164 Ca 0.02 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.54 1ibk s VAL 164 Cb -0.20 -2.42 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 1ibk s VAL 164 CO 0.06 0.04 0.00 1.33 -3.33 0.00 0.00 175.10 173.19 1ibk n VAL 165 N 0.56 0.00 -2.68 2.04 0.24 -1.10 -0.81 118.33 116.57 1ibk n VAL 165 Ca -0.14 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.74 1ibk n VAL 165 Cb 0.53 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 1ibk n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ibk s ASP 166 N -1.00 6.29 0.21 -1.34 2.15 -1.25 -2.89 116.67 118.84 1ibk s ASP 166 Ca 0.00 -0.36 -0.05 0.00 0.43 0.00 0.00 52.55 52.56 1ibk s ASP 166 Cb 0.00 -2.50 0.16 0.00 -0.30 0.00 0.00 42.92 40.28 1ibk s ASP 166 CO 0.00 -1.52 1.63 1.55 -0.17 0.00 0.00 175.17 176.66 1ibk h PRO 167 N 9.64 0.83 -0.63 4.34 0.13 -1.86 0.18 132.00 144.63 1ibk h PRO 167 Ca -0.27 -0.33 0.08 0.00 -0.87 0.00 0.00 66.00 64.62 1ibk h PRO 167 Cb 1.06 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 1ibk h PRO 167 CO 1.19 0.95 0.30 1.15 -0.23 0.00 0.00 178.00 181.36 1ibk h THR 168 N 0.73 0.86 0.00 1.56 2.02 -1.89 0.91 112.91 117.10 1ibk h THR 168 Ca 0.11 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 1ibk h THR 168 Cb 0.71 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1ibk h THR 168 CO 0.05 0.10 -0.52 0.50 0.37 0.00 0.00 175.52 176.02 1ibk h LYS 169 N 0.53 0.00 -0.48 6.66 3.11 -1.89 -3.25 116.57 121.25 1ibk h LYS 169 Ca 0.30 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.14 1ibk h LYS 169 Cb 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 1ibk h LYS 169 CO -0.24 0.52 0.00 -1.91 -2.81 0.00 0.00 179.45 175.01 1ibk n GLU 170 N -3.24 4.33 -0.23 1.90 4.07 0.63 -4.81 120.64 123.28 1ibk n GLU 170 Ca 0.02 -3.08 -0.02 0.00 -0.06 0.00 0.00 57.16 54.02 1ibk n GLU 170 Cb 0.74 -2.15 -0.00 0.00 -0.06 0.00 0.00 31.44 29.97 1ibk n GLU 170 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ibk n ALA 171 N 0.28 -0.16 -0.18 4.31 0.00 0.30 -0.29 120.51 124.76 1ibk n ALA 171 Ca 0.26 0.56 0.07 0.00 0.00 0.00 0.00 53.44 54.33 1ibk n ALA 171 Cb 1.11 -0.21 0.36 0.00 0.00 0.00 0.00 19.45 20.71 1ibk n ALA 171 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ibk h ILE 172 N 0.00 1.01 0.72 0.00 2.04 -1.87 -0.13 117.51 119.28 1ibk h ILE 172 Ca 0.17 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1ibk h ILE 172 Cb 0.32 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1ibk h ILE 172 CO -0.57 0.14 -0.49 0.00 0.00 0.00 0.00 178.15 177.22 1ibk h ALA 173 N 1.61 -1.24 -0.16 1.87 0.00 -1.01 -1.65 119.26 118.68 1ibk h ALA 173 Ca 0.32 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ibk h ALA 173 Cb 0.28 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1ibk h ALA 173 CO -0.11 -1.22 -0.34 0.28 0.00 0.00 0.00 179.25 177.86 1ibk h VAL 174 N -1.15 0.00 -0.96 0.00 2.07 -1.30 -2.10 116.25 112.81 1ibk h VAL 174 Ca -0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.51 1ibk h VAL 174 Cb 0.94 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 1ibk h VAL 174 CO 0.06 0.00 -0.57 -1.14 0.02 0.00 0.00 177.57 175.94 1ibk n ARG 175 N -4.33 -0.42 -0.19 1.57 0.63 -0.12 -0.06 116.66 113.73 1ibk n ARG 175 Ca -0.03 1.47 -0.08 0.00 -0.92 0.00 0.00 57.85 58.28 1ibk n ARG 175 Cb 0.22 -2.16 -0.03 0.00 0.45 0.00 0.00 32.46 30.94 1ibk n ARG 175 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1ibk h GLU 176 N 0.00 -0.23 0.00 -0.14 5.08 -0.90 -1.62 114.58 116.77 1ibk h GLU 176 Ca 0.15 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ibk h GLU 176 Cb 0.40 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ibk h GLU 176 CO -0.91 -0.16 0.00 0.00 -1.00 0.00 0.00 179.01 176.95 1ibk n ALA 177 N -3.13 -0.05 -0.07 3.43 0.00 0.92 -1.93 120.51 119.68 1ibk n ALA 177 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1ibk n ALA 177 Cb 0.35 0.28 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 1ibk n ALA 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibk n ARG 178 N -1.72 -0.07 -0.29 0.00 3.00 0.01 0.26 116.66 117.86 1ibk n ARG 178 Ca 0.00 0.35 0.18 0.00 -0.01 0.00 0.00 57.85 58.37 1ibk n ARG 178 Cb 0.00 -0.51 0.47 0.00 0.00 0.00 0.00 32.46 32.41 1ibk n ARG 178 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1ibk h LYS 179 N 0.00 0.48 0.00 5.56 3.64 -0.81 0.44 116.57 125.87 1ibk h LYS 179 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ibk h LYS 179 Cb 0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1ibk h LYS 179 CO -0.15 0.32 -0.38 1.28 -2.27 0.00 0.00 179.45 178.25 1ibk n LEU 180 N -4.59 0.49 -2.02 5.20 4.77 0.74 -4.99 117.00 116.59 1ibk n LEU 180 Ca 0.22 0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 56.41 1ibk n LEU 180 Cb 0.71 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1ibk n LEU 180 CO 0.27 0.01 0.04 0.49 -1.33 0.00 0.00 177.39 176.87 1ibk n PHE 181 N -1.78 -1.28 -3.47 -1.77 3.01 0.15 -5.05 117.46 107.27 1ibk n PHE 181 Ca 0.05 0.51 -0.27 0.00 1.01 0.00 0.00 57.45 58.75 1ibk n PHE 181 Cb 0.38 -2.48 -0.12 0.00 -0.01 0.00 0.00 39.48 37.24 1ibk n PHE 181 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1ibk s ILE 182 N -1.87 -0.02 -0.09 4.37 1.01 -1.23 -4.97 121.20 118.40 1ibk s ILE 182 Ca 0.08 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 1ibk s ILE 182 Cb -0.02 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1ibk s ILE 182 CO 0.29 -0.83 0.34 -2.65 0.00 0.00 0.00 174.94 172.09 1ibk n PRO 183 N 4.54 0.00 -3.96 2.79 -0.02 -1.26 -4.51 135.00 132.59 1ibk n PRO 183 Ca 0.05 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.18 1ibk n PRO 183 Cb 0.40 -0.34 -0.10 0.00 -0.02 0.00 0.00 33.50 33.43 1ibk n PRO 183 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ibk s VAL 184 N 0.55 4.69 -0.19 -1.45 -7.23 -1.26 -1.39 120.40 114.12 1ibk s VAL 184 Ca 0.23 -0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.31 1ibk s VAL 184 Cb -0.33 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.46 1ibk s VAL 184 CO 0.18 0.43 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.72 1ibk s ILE 185 N 0.68 3.62 0.00 -0.62 1.01 0.63 -0.74 121.20 125.78 1ibk s ILE 185 Ca 0.03 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1ibk s ILE 185 Cb -0.13 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1ibk s ILE 185 CO 0.02 0.45 -0.03 0.00 0.00 0.00 0.00 174.94 175.37 1ibk s ALA 186 N 0.97 0.27 -0.58 9.38 0.00 -0.34 0.13 121.76 131.59 1ibk s ALA 186 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 1ibk s ALA 186 Cb -0.15 -0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.05 1ibk s ALA 186 CO 0.01 0.04 0.64 -1.17 0.00 0.00 0.00 175.76 175.28 1ibk s LEU 187 N -0.33 5.67 0.06 0.00 0.20 0.01 0.39 118.68 124.68 1ibk s LEU 187 Ca -0.01 -1.58 -0.00 0.00 0.69 0.00 0.00 54.13 53.23 1ibk s LEU 187 Cb -0.03 -2.27 -0.04 0.00 -0.43 0.00 0.00 46.19 43.42 1ibk s LEU 187 CO -0.00 -1.03 -0.04 0.00 -0.29 0.00 0.00 176.35 174.99 1ibk s ALA 188 N 2.30 0.60 0.31 5.97 0.00 0.09 -3.88 121.76 127.15 1ibk s ALA 188 Ca 0.09 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.93 1ibk s ALA 188 Cb -0.26 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1ibk s ALA 188 CO 0.05 -0.30 0.21 -0.40 0.00 0.00 0.00 175.76 175.32 1ibk n ASP 189 N 0.25 -0.10 0.00 0.00 5.75 -1.26 -2.02 116.55 119.18 1ibk n ASP 189 Ca -0.15 -2.90 0.00 0.00 -0.01 0.00 0.00 54.79 51.73 1ibk n ASP 189 Cb 0.60 1.29 0.00 0.00 -1.03 0.00 0.00 41.12 41.99 1ibk n ASP 189 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ibk n THR 190 N -0.62 0.00 0.12 2.12 -2.24 -1.26 0.40 114.28 112.80 1ibk n THR 190 Ca 0.03 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.89 1ibk n THR 190 Cb 0.53 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.17 1ibk n THR 190 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ibk n ASP 191 N -2.64 0.39 -4.82 3.42 5.75 -1.26 -2.61 116.55 114.78 1ibk n ASP 191 Ca 0.00 0.67 -0.23 0.00 -0.01 0.00 0.00 54.79 55.21 1ibk n ASP 191 Cb 0.00 -0.71 -0.05 0.00 -1.03 0.00 0.00 41.12 39.34 1ibk n ASP 191 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ibk s SER 192 N -3.68 4.71 -0.51 -1.12 1.04 0.16 -4.83 113.70 109.48 1ibk s SER 192 Ca -0.02 -0.97 -0.14 0.00 0.48 0.00 0.00 55.95 55.30 1ibk s SER 192 Cb 0.04 -0.37 0.11 0.00 0.10 0.00 0.00 66.02 65.90 1ibk s SER 192 CO 0.14 -0.68 0.44 -0.62 0.98 0.00 0.00 173.24 173.49 1ibk s ASP 193 N -4.06 6.05 0.32 7.02 2.15 -1.26 -4.30 116.67 122.59 1ibk s ASP 193 Ca 0.43 -1.72 0.06 0.00 0.43 0.00 0.00 52.55 51.75 1ibk s ASP 193 Cb 0.00 -2.15 0.72 0.00 -0.30 0.00 0.00 42.92 41.19 1ibk s ASP 193 CO 0.24 -0.77 1.84 1.55 -0.17 0.00 0.00 175.17 177.86 1ibk h PRO 194 N 8.75 0.78 -0.98 4.34 0.13 -1.95 -2.48 132.00 140.59 1ibk h PRO 194 Ca -0.27 -0.05 0.26 0.00 -0.87 0.00 0.00 66.00 65.07 1ibk h PRO 194 Cb 1.10 -0.18 -0.06 0.00 0.13 0.00 0.00 31.00 31.99 1ibk h PRO 194 CO 0.96 0.52 0.67 -0.44 -0.23 0.00 0.00 178.00 179.48 1ibk h ASP 195 N 0.81 0.21 -0.04 1.44 3.32 -1.93 0.17 116.42 120.40 1ibk h ASP 195 Ca 0.50 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1ibk h ASP 195 Cb 0.70 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1ibk h ASP 195 CO -0.26 0.06 0.00 0.18 -1.72 0.00 0.00 179.24 177.50 1ibk n LEU 196 N -4.40 0.54 -4.40 1.55 4.77 -0.93 -4.78 117.00 109.35 1ibk n LEU 196 Ca 0.22 -0.21 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1ibk n LEU 196 Cb 0.93 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.86 1ibk n LEU 196 CO 0.34 0.11 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.46 1ibk s VAL 197 N -1.95 3.68 0.04 4.08 1.01 0.61 -4.94 120.40 122.93 1ibk s VAL 197 Ca 0.33 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 1ibk s VAL 197 Cb 0.16 -2.65 -0.17 0.00 0.00 0.00 0.00 36.38 33.72 1ibk s VAL 197 CO 0.27 0.44 1.41 0.44 0.00 0.00 0.00 175.10 177.65 1ibk h ASP 198 N 7.55 -0.46 -3.56 3.32 3.32 -1.74 -3.40 116.42 121.45 1ibk h ASP 198 Ca -0.36 -0.08 -0.62 0.00 0.02 0.00 0.00 57.03 55.98 1ibk h ASP 198 Cb 1.18 0.12 -0.39 0.00 0.22 0.00 0.00 39.33 40.46 1ibk h ASP 198 CO 0.60 -0.18 -0.76 -0.31 -1.72 0.00 0.00 179.24 176.87 1ibk s TYR 199 N -5.27 2.76 0.10 4.55 1.51 0.08 -4.98 117.35 116.11 1ibk s TYR 199 Ca -0.15 -2.22 -0.13 0.00 -1.01 0.00 0.00 57.07 53.55 1ibk s TYR 199 Cb 0.03 -2.10 -0.06 0.00 -0.11 0.00 0.00 41.96 39.71 1ibk s TYR 199 CO 0.57 -0.87 0.49 0.42 -1.11 0.00 0.00 175.55 175.06 1ibk s ILE 200 N 1.26 4.94 -0.45 2.71 1.01 -1.26 -1.19 121.20 128.21 1ibk s ILE 200 Ca 0.03 0.75 0.02 0.00 0.00 0.00 0.00 60.65 61.46 1ibk s ILE 200 Cb -0.19 -3.72 0.14 0.00 0.01 0.00 0.00 42.46 38.70 1ibk s ILE 200 CO -0.11 0.33 0.25 -0.63 0.00 0.00 0.00 174.94 174.77 1ibk s ILE 201 N -1.36 1.42 -0.99 2.92 1.01 0.16 -4.44 121.20 119.91 1ibk s ILE 201 Ca 0.34 -2.61 -0.25 0.00 0.00 0.00 0.00 60.65 58.13 1ibk s ILE 201 Cb -0.15 -1.99 -0.12 0.00 0.01 0.00 0.00 42.46 40.20 1ibk s ILE 201 CO 0.18 -0.91 2.10 -2.16 0.00 0.00 0.00 174.94 174.15 1ibk s PRO 202 N 0.29 1.97 0.00 2.79 0.04 -1.23 -0.73 135.00 138.12 1ibk s PRO 202 Ca 0.18 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1ibk s PRO 202 Cb -0.23 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1ibk s PRO 202 CO -0.01 -4.32 0.00 0.41 0.04 0.00 0.00 177.00 173.12 1ibk n GLY 203 N 6.40 3.12 3.18 0.56 0.00 -0.86 -4.68 105.19 112.92 1ibk n GLY 203 Ca 0.43 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1ibk n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ibk s ASN 204 N 1.00 5.11 0.21 1.61 -0.87 -1.26 -4.10 114.94 116.65 1ibk s ASN 204 Ca 0.00 -1.50 -0.17 0.00 -1.57 0.00 0.00 52.86 49.62 1ibk s ASN 204 Cb 0.00 -1.79 0.21 0.00 -0.02 0.00 0.00 41.25 39.65 1ibk s ASN 204 CO 0.00 -0.37 1.59 -2.24 -2.57 0.00 0.00 177.10 173.50 1ibk h ASP 205 N 8.07 -1.05 -1.86 -1.22 2.03 -1.89 -3.41 116.42 117.09 1ibk h ASP 205 Ca -0.19 0.24 -0.52 0.00 -0.73 0.00 0.00 57.03 55.84 1ibk h ASP 205 Cb 1.06 0.57 -0.05 0.00 -0.83 0.00 0.00 39.33 40.08 1ibk h ASP 205 CO 0.61 -0.29 -0.48 -0.62 -1.03 0.00 0.00 179.24 177.43 1ibk s ASP 206 N -5.22 5.04 0.00 4.15 2.15 -1.26 -4.36 116.67 117.17 1ibk s ASP 206 Ca -0.14 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.23 1ibk s ASP 206 Cb 0.19 -0.87 0.00 0.00 -0.30 0.00 0.00 42.92 41.93 1ibk s ASP 206 CO 0.72 -0.33 0.00 0.00 -0.17 0.00 0.00 175.17 175.38 1ibk n ALA 207 N -1.28 0.00 -0.10 3.66 0.00 -1.26 -4.85 120.51 116.68 1ibk n ALA 207 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1ibk n ALA 207 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1ibk n ALA 207 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ibk h ILE 208 N 0.00 0.88 -0.29 0.00 2.04 -1.96 -2.67 117.51 115.51 1ibk h ILE 208 Ca 0.00 -2.03 0.08 0.00 1.00 0.00 0.00 64.86 63.91 1ibk h ILE 208 Cb 0.00 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1ibk h ILE 208 CO 0.00 0.30 0.58 -0.09 0.00 0.00 0.00 178.15 178.94 1ibk h ARG 209 N -1.00 0.00 0.00 2.37 9.65 -1.94 -0.69 114.38 122.77 1ibk h ARG 209 Ca -0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1ibk h ARG 209 Cb 1.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1ibk h ARG 209 CO -0.16 0.00 0.00 0.45 2.80 0.00 0.00 179.97 183.06 1ibk n SER 210 N -3.18 0.00 -0.15 -3.80 2.88 -1.25 -3.88 113.62 104.23 1ibk n SER 210 Ca 0.05 0.14 -0.04 0.00 -1.33 0.00 0.00 58.87 57.69 1ibk n SER 210 Cb 0.70 -0.15 -0.04 0.00 -0.75 0.00 0.00 64.21 63.97 1ibk n SER 210 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1ibk n ILE 211 N -1.04 -0.24 -0.33 2.46 5.41 -0.96 -0.63 119.36 124.02 1ibk n ILE 211 Ca 0.00 1.58 0.06 0.00 1.00 0.00 0.00 62.75 65.39 1ibk n ILE 211 Cb 0.00 -2.02 0.13 0.00 -0.71 0.00 0.00 39.64 37.04 1ibk n ILE 211 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1ibk n GLN 212 N -3.78 -0.08 0.22 0.38 0.00 -0.31 -0.99 117.38 112.82 1ibk n GLN 212 Ca 0.01 1.45 -0.15 0.00 -0.00 0.00 0.00 57.00 58.30 1ibk n GLN 212 Cb 0.09 -2.16 -0.08 0.00 0.00 0.00 0.00 30.24 28.09 1ibk n GLN 212 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1ibk h LEU 213 N 0.00 -1.22 0.16 1.69 6.46 -0.98 -1.28 115.31 120.13 1ibk h LEU 213 Ca 0.44 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 58.31 1ibk h LEU 213 Cb 0.68 0.41 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 1ibk h LEU 213 CO -0.96 -0.55 -0.30 0.40 -0.62 0.00 0.00 178.44 176.42 1ibk h ILE 214 N -0.81 0.00 -0.66 4.05 1.08 -0.81 -2.59 117.51 117.77 1ibk h ILE 214 Ca -0.04 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 1ibk h ILE 214 Cb 0.72 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.35 1ibk h ILE 214 CO -0.09 0.00 -0.37 -0.07 -0.69 0.00 0.00 178.15 176.92 1ibk h LEU 215 N -0.49 -1.30 -0.07 1.44 3.38 -1.29 -1.92 115.31 115.05 1ibk h LEU 215 Ca -0.02 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ibk h LEU 215 Cb 0.46 0.64 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1ibk h LEU 215 CO -0.11 -0.31 -0.13 0.77 0.09 0.00 0.00 178.44 178.75 1ibk h SER 216 N -0.15 -0.43 -0.98 -0.43 4.64 -1.11 0.12 113.55 115.20 1ibk h SER 216 Ca 0.24 0.05 0.33 0.00 -0.47 0.00 0.00 61.79 61.94 1ibk h SER 216 Cb 0.56 0.17 -0.16 0.00 -0.31 0.00 0.00 62.40 62.67 1ibk h SER 216 CO -0.73 -0.10 0.48 0.03 -0.87 0.00 0.00 176.83 175.63 1ibk h ARG 217 N -0.11 0.20 -0.43 4.77 2.47 -1.11 1.15 114.38 121.32 1ibk h ARG 217 Ca 0.01 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1ibk h ARG 217 Cb 0.15 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 1ibk h ARG 217 CO -0.13 0.14 0.06 0.00 0.56 0.00 0.00 179.97 180.60 1ibk h ALA 218 N 1.88 0.57 -0.34 0.04 0.00 -0.37 0.56 119.26 121.61 1ibk h ALA 218 Ca 0.73 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 55.26 1ibk h ALA 218 Cb 1.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1ibk h ALA 218 CO -0.67 0.30 -0.37 0.28 0.00 0.00 0.00 179.25 178.79 1ibk h VAL 219 N 0.58 1.28 0.25 0.00 2.07 0.28 0.41 116.25 121.11 1ibk h VAL 219 Ca 0.13 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1ibk h VAL 219 Cb 0.39 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1ibk h VAL 219 CO 0.01 0.51 -0.46 0.44 0.02 0.00 0.00 177.57 178.09 1ibk h ASP 220 N 0.67 -1.33 -0.91 0.57 3.45 0.15 0.34 116.42 119.36 1ibk h ASP 220 Ca 0.06 0.13 0.18 0.00 0.43 0.00 0.00 57.03 57.83 1ibk h ASP 220 Cb 0.93 0.47 -0.07 0.00 -0.56 0.00 0.00 39.33 40.10 1ibk h ASP 220 CO 0.09 -0.53 0.59 0.25 -1.57 0.00 0.00 179.24 178.06 1ibk h LEU 221 N -0.76 0.53 0.52 1.55 7.12 0.29 0.73 115.31 125.29 1ibk h LEU 221 Ca -0.03 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1ibk h LEU 221 Cb 0.71 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.77 1ibk h LEU 221 CO -0.17 0.23 -0.46 0.40 -0.13 0.00 0.00 178.44 178.30 1ibk h ILE 222 N 0.54 0.08 -0.21 4.05 2.04 0.19 -2.78 117.51 121.42 1ibk h ILE 222 Ca 0.48 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.20 1ibk h ILE 222 Cb 1.00 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1ibk h ILE 222 CO -0.21 0.00 -0.45 0.40 0.00 0.00 0.00 178.15 177.88 1ibk h ILE 223 N -0.98 1.31 0.00 -0.67 2.04 -0.50 -2.66 117.51 116.05 1ibk h ILE 223 Ca -0.06 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.15 1ibk h ILE 223 Cb 0.84 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1ibk h ILE 223 CO -0.03 0.52 0.00 1.67 0.00 0.00 0.00 178.15 180.31 1ibk n GLN 224 N -4.00 0.00 -2.69 2.37 7.27 0.25 0.03 117.38 120.60 1ibk n GLN 224 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.01 1ibk n GLN 224 Cb 0.54 -0.96 0.11 0.00 2.41 0.00 0.00 30.24 32.35 1ibk n GLN 224 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ibk n ALA 225 N 0.29 2.31 -1.73 1.69 0.00 -1.00 -4.91 120.51 117.16 1ibk n ALA 225 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1ibk n ALA 225 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1ibk n ALA 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibk n ARG 226 N -1.05 0.00 -1.16 0.00 1.74 0.10 -3.50 116.66 112.79 1ibk n ARG 226 Ca -0.09 -0.17 -0.06 0.00 -0.77 0.00 0.00 57.85 56.77 1ibk n ARG 226 Cb 0.86 -0.15 -0.02 0.00 -1.02 0.00 0.00 32.46 32.13 1ibk n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ibk n GLY 227 N 0.00 0.80 0.11 -0.13 0.00 -1.25 -4.90 105.19 99.82 1ibk n GLY 227 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 1ibk n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibk n GLY 228 N -1.89 -0.85 3.16 -0.02 0.00 -1.26 -5.03 105.19 99.30 1ibk n GLY 228 Ca -0.06 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1ibk n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ibk n VAL 229 N -2.89 -3.24 -3.32 1.61 0.31 -1.26 -4.93 118.33 104.60 1ibk n VAL 229 Ca -0.35 0.06 -0.20 0.00 -0.01 0.00 0.00 64.34 63.83 1ibk n VAL 229 Cb 1.11 -2.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 1ibk n VAL 229 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ibk s VAL 230 N -1.28 4.07 1.39 2.52 1.01 -1.26 -5.10 120.40 121.75 1ibk s VAL 230 Ca 0.32 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1ibk s VAL 230 Cb -0.03 -3.44 0.35 0.00 0.00 0.00 0.00 36.38 33.26 1ibk s VAL 230 CO 0.75 -0.22 0.95 -1.83 0.00 0.00 0.00 175.10 174.75 1ibk s GLU 231 N -4.30 -2.65 0.00 2.72 4.04 -1.26 -5.02 118.70 112.23 1ibk s GLU 231 Ca 0.46 0.22 0.00 0.00 0.04 0.00 0.00 54.97 55.69 1ibk s GLU 231 Cb -0.10 -1.40 0.00 0.00 0.02 0.00 0.00 34.13 32.65 1ibk s GLU 231 CO 0.33 -4.71 0.00 -2.30 -1.84 0.00 0.00 175.26 166.74 1ibk n PRO 232 N -5.53 0.00 -3.65 -4.83 -0.02 -1.26 -5.02 135.00 114.70 1ibk n PRO 232 Ca 0.11 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.55 1ibk n PRO 232 Cb 0.59 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.00 1ibk n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ibk s SER 233 N -2.34 -0.17 0.36 2.55 0.15 -1.26 -4.96 113.70 108.03 1ibk s SER 233 Ca 0.00 0.32 0.24 0.00 0.70 0.00 0.00 55.95 57.21 1ibk s SER 233 Cb 0.00 0.34 0.47 0.00 -1.71 0.00 0.00 66.02 65.12 1ibk s SER 233 CO 0.00 -0.06 1.64 1.55 1.20 0.00 0.00 173.24 177.58 1ibk h PRO 234 N 3.48 0.00 -0.56 5.44 0.13 -1.98 -3.33 132.00 135.17 1ibk h PRO 234 Ca -0.27 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.88 1ibk h PRO 234 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1ibk h PRO 234 CO 0.16 0.00 0.34 0.66 -0.23 0.00 0.00 178.00 178.93 1ibk h SER 235 N 0.00 0.55 -1.50 1.44 4.64 -1.95 -2.76 113.55 113.97 1ibk h SER 235 Ca 0.00 0.01 0.48 0.00 -0.47 0.00 0.00 61.79 61.81 1ibk h SER 235 Cb 0.92 -0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 62.78 1ibk h SER 235 CO 0.00 0.38 1.00 0.22 -0.87 0.00 0.00 176.83 177.56 1ibk h TYR 236 N 0.67 0.39 -0.06 4.77 -0.00 -1.97 1.43 116.97 122.20 1ibk h TYR 236 Ca 0.23 0.02 0.02 0.00 -0.00 0.00 0.00 58.73 58.99 1ibk h TYR 236 Cb 0.03 -0.09 -0.00 0.00 -0.00 0.00 0.00 36.73 36.67 1ibk h TYR 236 CO -0.06 -0.19 0.13 0.00 -0.00 0.00 0.00 178.16 178.03 1ibk h ALA 237 N 1.47 1.39 -0.12 1.82 0.00 -1.76 0.23 119.26 122.29 1ibk h ALA 237 Ca 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.78 1ibk h ALA 237 Cb 2.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.76 1ibk h ALA 237 CO -0.34 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.03 1ibk n LEU 238 N -3.38 0.78 -1.17 0.00 4.77 0.49 -3.07 117.00 115.43 1ibk n LEU 238 Ca -0.01 -0.37 0.10 0.00 -0.03 0.00 0.00 56.01 55.70 1ibk n LEU 238 Cb 0.21 -0.08 0.28 0.00 -2.33 0.00 0.00 43.42 41.50 1ibk n LEU 238 CO 0.22 0.18 0.74 0.52 -1.33 0.00 0.00 177.39 177.72 1ibk n VAL 239 N -0.16 0.82 -0.42 4.08 0.31 0.82 -5.02 118.33 118.76 1ibk n VAL 239 Ca 0.09 -0.84 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 1ibk n VAL 239 Cb 0.15 0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1ibk n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51