#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl h LYS 8 N 0.00 0.64 -0.11 5.55 1.79 -2.04 -3.30 116.57 119.10 3knl h LYS 8 Ca 0.00 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 3knl h LYS 8 Cb 0.00 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 30.44 3knl h LYS 8 CO 0.00 0.42 -0.38 0.93 -1.08 0.00 0.00 179.45 179.34 3knl h GLU 9 N 0.66 -0.45 -0.25 3.15 4.39 -2.05 -2.29 114.58 117.73 3knl h GLU 9 Ca 0.33 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.09 3knl h GLU 9 Cb 0.27 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3knl h GLU 9 CO -0.22 -0.30 0.08 1.25 -1.16 0.00 0.00 179.01 178.65 3knl h LEU 10 N -0.47 0.08 -0.27 1.33 6.46 -2.04 -2.78 115.31 117.63 3knl h LEU 10 Ca 0.08 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 3knl h LEU 10 Cb 0.60 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 3knl h LEU 10 CO -0.37 0.08 -0.06 -0.07 -0.62 0.00 0.00 178.44 177.40 3knl h LEU 11 N 0.19 -0.23 -0.02 2.25 3.38 -1.66 -3.25 115.31 115.97 3knl h LEU 11 Ca 0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3knl h LEU 11 Cb 0.09 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3knl h LEU 11 CO -0.12 -0.08 -0.01 -0.62 0.09 0.00 0.00 178.44 177.70 3knl n GLU 12 N -5.23 -0.01 -0.07 1.13 1.02 -0.87 0.30 120.64 116.92 3knl n GLU 12 Ca -0.01 0.06 0.07 0.00 -0.02 0.00 0.00 57.16 57.27 3knl n GLU 12 Cb 0.15 -0.10 0.31 0.00 -0.02 0.00 0.00 31.44 31.79 3knl n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knl n ALA 13 N -2.61 2.52 -0.11 0.62 0.00 -1.23 -3.56 120.51 116.16 3knl n ALA 13 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 3knl n ALA 13 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 3knl n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3knl h GLY 14 N 5.33 -0.48 0.00 0.00 0.00 0.45 -3.41 103.07 104.96 3knl h GLY 14 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3knl h GLY 14 CO 0.00 -0.20 0.00 3.33 0.00 0.00 0.00 176.54 179.67 3knl n VAL 15 N -5.42 0.00 -2.58 4.60 0.24 -1.26 -5.07 118.33 108.84 3knl n VAL 15 Ca -0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.32 3knl n VAL 15 Cb 0.35 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.75 3knl n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3knl n HIS 16 N 0.00 0.36 -4.22 6.34 -0.00 -1.23 -4.17 115.22 112.29 3knl n HIS 16 Ca 0.00 -0.97 -0.13 0.00 -0.00 0.00 0.00 57.72 56.62 3knl n HIS 16 Cb 0.00 -0.17 -0.10 0.00 -0.00 0.00 0.00 29.99 29.72 3knl n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3knl s PHE 17 N -1.10 1.17 0.38 4.41 -0.00 -1.26 -4.13 117.98 117.46 3knl s PHE 17 Ca 0.32 -1.18 0.00 0.00 -0.00 0.00 0.00 56.93 56.07 3knl s PHE 17 Cb 0.37 -0.65 0.00 0.00 -0.00 0.00 0.00 43.02 42.74 3knl s PHE 17 CO -0.13 -0.40 0.00 0.41 -0.00 0.00 0.00 175.22 175.09 3knl n GLY 18 N -0.25 -3.90 0.00 1.99 0.00 -1.26 -4.80 105.19 96.97 3knl n GLY 18 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3knl n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3knl n HIS 19 N -1.59 0.00 -2.38 1.61 -0.00 -1.03 -4.46 115.22 107.38 3knl n HIS 19 Ca 0.00 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.98 3knl n HIS 19 Cb 0.16 0.00 0.11 0.00 -0.12 0.00 0.00 29.99 30.14 3knl n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3knl n GLU 20 N 0.00 -0.19 -3.80 1.57 -0.58 -1.26 -4.72 120.64 111.66 3knl n GLU 20 Ca 0.00 -2.08 -0.22 0.00 -0.42 0.00 0.00 57.16 54.44 3knl n GLU 20 Cb 0.00 -0.65 -0.17 0.00 -0.57 0.00 0.00 31.44 30.05 3knl n GLU 20 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3knl s ARG 21 N -4.73 0.57 -1.32 3.49 1.70 -1.26 -1.26 118.95 116.14 3knl s ARG 21 Ca 0.55 0.11 -0.03 0.00 -0.47 0.00 0.00 55.73 55.89 3knl s ARG 21 Cb -0.03 -0.91 -0.00 0.00 -0.57 0.00 0.00 34.95 33.44 3knl s ARG 21 CO 0.37 -0.28 0.60 1.63 -1.08 0.00 0.00 175.30 176.54 3knl n LYS 22 N 5.02 -3.76 -0.56 3.89 4.76 -1.26 -4.77 118.16 121.49 3knl n LYS 22 Ca -0.09 0.52 -0.01 0.00 -2.87 0.00 0.00 58.31 55.86 3knl n LYS 22 Cb 0.50 -4.80 -0.01 0.00 -1.84 0.00 0.00 35.03 28.88 3knl n LYS 22 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3knl n ARG 23 N -4.29 0.00 0.00 1.97 0.63 -1.26 -5.10 116.66 108.61 3knl n ARG 23 Ca -0.28 -0.17 0.00 0.00 -0.92 0.00 0.00 57.85 56.48 3knl n ARG 23 Cb 0.67 0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.60 3knl n ARG 23 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 3knl n TRP 24 N 0.00 0.00 -3.05 -0.14 4.27 -1.26 -4.87 117.44 112.39 3knl n TRP 24 Ca -0.03 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.63 3knl n TRP 24 Cb 0.54 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.49 3knl n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3knl s ASN 25 N -2.06 -0.51 0.64 -0.67 3.84 -1.23 -4.79 114.94 110.17 3knl s ASN 25 Ca 0.00 -0.03 0.13 0.00 0.21 0.00 0.00 52.86 53.17 3knl s ASN 25 Cb 0.00 1.11 0.58 0.00 -0.55 0.00 0.00 41.25 42.39 3knl s ASN 25 CO 0.00 -0.08 1.28 1.55 -2.79 0.00 0.00 177.10 177.06 3knl h PRO 26 N 6.80 0.00 -0.05 0.43 0.13 -1.97 1.01 132.00 138.34 3knl h PRO 26 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3knl h PRO 26 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3knl h PRO 26 CO -0.07 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 178.87 3knl n LYS 27 N -2.82 0.78 -2.97 0.86 4.81 -1.26 -3.26 118.16 114.30 3knl n LYS 27 Ca 0.06 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.33 3knl n LYS 27 Cb 1.00 -1.03 -0.01 0.00 0.02 0.00 0.00 35.03 35.01 3knl n LYS 27 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3knl n PHE 28 N -0.46 1.02 0.56 5.64 -0.00 0.35 -3.90 117.46 120.67 3knl n PHE 28 Ca 0.00 -3.49 0.06 0.00 -0.00 0.00 0.00 57.45 54.02 3knl n PHE 28 Cb 0.01 -0.40 -0.00 0.00 -0.00 0.00 0.00 39.48 39.10 3knl n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3knl n ALA 29 N 0.09 2.97 0.76 3.13 0.00 -1.20 -4.33 120.51 121.92 3knl n ALA 29 Ca 0.22 -0.48 0.12 0.00 0.00 0.00 0.00 53.44 53.29 3knl n ALA 29 Cb 0.68 -0.44 0.19 0.00 0.00 0.00 0.00 19.45 19.88 3knl n ALA 29 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3knl n ARG 30 N -0.18 0.16 -0.33 0.00 1.85 -1.26 -3.57 116.66 113.33 3knl n ARG 30 Ca 0.05 0.04 0.08 0.00 -1.00 0.00 0.00 57.85 57.02 3knl n ARG 30 Cb 0.27 -1.59 0.24 0.00 -1.05 0.00 0.00 32.46 30.32 3knl n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3knl n TYR 31 N -1.82 0.81 -3.05 2.89 0.53 -1.26 -4.97 117.16 110.29 3knl n TYR 31 Ca 0.04 -0.58 -0.17 0.00 -1.02 0.00 0.00 57.90 56.17 3knl n TYR 31 Cb 0.39 -0.11 0.01 0.00 -1.03 0.00 0.00 39.34 38.61 3knl n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 3knl s ILE 32 N -1.43 2.96 0.00 -0.72 1.10 -1.23 -2.08 121.20 119.80 3knl s ILE 32 Ca 0.36 -1.02 0.00 0.00 -0.51 0.00 0.00 60.65 59.47 3knl s ILE 32 Cb 0.22 -2.99 0.00 0.00 0.15 0.00 0.00 42.46 39.84 3knl s ILE 32 CO 0.19 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 173.02 3knl n TYR 33 N -1.84 0.00 -3.46 3.50 9.36 0.17 -4.38 117.16 120.52 3knl n TYR 33 Ca 0.08 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.28 3knl n TYR 33 Cb 0.59 0.30 0.01 0.00 -0.63 0.00 0.00 39.34 39.61 3knl n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knl n ALA 34 N -2.44 -0.81 -3.19 2.98 0.00 -1.20 -4.99 120.51 110.85 3knl n ALA 34 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 3knl n ALA 34 Cb 0.13 0.27 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 3knl n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3knl n GLU 35 N -0.23 1.50 -2.66 0.00 2.13 -1.26 -0.46 120.64 119.67 3knl n GLU 35 Ca -0.02 -3.78 -0.37 0.00 0.66 0.00 0.00 57.16 53.65 3knl n GLU 35 Cb 0.21 -1.71 -0.05 0.00 0.27 0.00 0.00 31.44 30.16 3knl n GLU 35 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3knl s ARG 36 N -2.15 4.44 -1.24 5.31 3.00 -1.11 -3.21 118.95 123.99 3knl s ARG 36 Ca 0.40 1.45 0.00 0.00 0.00 0.00 0.00 55.73 57.58 3knl s ARG 36 Cb 0.24 -2.76 0.00 0.00 0.00 0.00 0.00 34.95 32.43 3knl s ARG 36 CO -0.09 0.12 0.00 -1.71 0.00 0.00 0.00 175.30 173.62 3knl n ASN 37 N 0.41 -4.36 0.00 0.23 5.15 -1.26 -0.89 115.26 114.54 3knl n ASN 37 Ca 0.03 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 3knl n ASN 37 Cb 0.49 -3.69 0.00 0.00 -0.53 0.00 0.00 39.78 36.05 3knl n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3knl n GLY 38 N -0.83 1.39 3.78 8.20 0.00 -1.20 -4.93 105.19 111.60 3knl n GLY 38 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3knl n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knl s ILE 39 N -0.26 3.44 0.04 -0.61 1.01 -0.07 -4.18 121.20 120.57 3knl s ILE 39 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 3knl s ILE 39 Cb 0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3knl s ILE 39 CO 0.00 -0.13 0.98 -1.00 0.00 0.00 0.00 174.94 174.79 3knl s HIS 40 N -1.77 3.71 -0.67 3.97 3.76 -0.39 -2.76 115.29 121.14 3knl s HIS 40 Ca 0.67 1.73 -0.18 0.00 -0.15 0.00 0.00 55.06 57.13 3knl s HIS 40 Cb -0.22 -3.10 0.13 0.00 1.11 0.00 0.00 32.58 30.50 3knl s HIS 40 CO 0.26 0.05 0.74 0.42 -0.85 0.00 0.00 174.74 175.36 3knl s ILE 41 N 0.64 5.01 0.36 0.60 1.09 0.39 -2.46 121.20 126.84 3knl s ILE 41 Ca 0.50 -1.41 -0.27 0.00 -1.10 0.00 0.00 60.65 58.37 3knl s ILE 41 Cb -0.22 -4.50 -0.09 0.00 -1.06 0.00 0.00 42.46 36.58 3knl s ILE 41 CO 0.29 -1.12 1.26 -0.51 -0.10 0.00 0.00 174.94 174.75 3knl s ILE 42 N 2.07 2.85 -0.24 2.92 2.07 -1.26 0.45 121.20 130.06 3knl s ILE 42 Ca 0.14 0.80 -0.15 0.00 -1.41 0.00 0.00 60.65 60.03 3knl s ILE 42 Cb -0.20 -3.49 -0.04 0.00 0.13 0.00 0.00 42.46 38.86 3knl s ILE 42 CO 0.01 0.15 0.35 -0.62 -1.91 0.00 0.00 174.94 172.92 3knl s ASP 43 N -0.72 6.31 -0.08 4.50 2.15 -0.88 -4.14 116.67 123.80 3knl s ASP 43 Ca 0.52 0.36 -0.05 0.00 0.43 0.00 0.00 52.55 53.81 3knl s ASP 43 Cb -0.37 -2.20 -0.27 0.00 -0.30 0.00 0.00 42.92 39.78 3knl s ASP 43 CO 0.48 -0.10 0.51 -0.07 -0.17 0.00 0.00 175.17 175.82 3knl h LEU 44 N 8.03 0.41 -0.99 -1.34 4.07 -1.90 -3.17 115.31 120.42 3knl h LEU 44 Ca -0.34 -0.80 0.35 0.00 0.08 0.00 0.00 57.88 57.16 3knl h LEU 44 Cb 1.16 -0.13 -0.17 0.00 1.08 0.00 0.00 40.66 42.60 3knl h LEU 44 CO 0.68 1.71 0.38 -0.61 -1.08 0.00 0.00 178.44 179.51 3knl h GLN 45 N 0.07 0.06 0.05 1.13 -0.00 -1.98 2.00 115.11 116.44 3knl h GLN 45 Ca -0.37 -0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.00 3knl h GLN 45 Cb 2.05 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 29.49 3knl h GLN 45 CO 0.11 0.04 -1.46 -0.22 0.00 0.00 0.00 178.83 177.30 3knl h LYS 46 N 0.06 0.10 -0.52 1.69 3.64 -1.99 -3.06 116.57 116.49 3knl h LYS 46 Ca 0.74 -0.17 0.15 0.00 -1.27 0.00 0.00 60.65 60.10 3knl h LYS 46 Cb 1.81 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.68 3knl h LYS 46 CO -0.79 0.89 0.57 1.15 -2.27 0.00 0.00 179.45 179.01 3knl h THR 47 N 0.03 0.31 0.00 1.00 2.02 0.29 0.47 112.91 117.03 3knl h THR 47 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3knl h THR 47 Cb 1.95 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3knl h THR 47 CO 0.12 0.00 0.00 0.80 0.37 0.00 0.00 175.52 176.81 3knl n MET 48 N -3.64 0.00 -0.35 6.66 0.00 0.17 0.74 117.12 120.71 3knl n MET 48 Ca 0.10 0.56 0.36 0.00 -0.00 0.00 0.00 57.70 58.72 3knl n MET 48 Cb 0.77 -1.41 0.75 0.00 0.00 0.00 0.00 33.22 33.34 3knl n MET 48 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3knl h GLU 49 N 0.00 0.01 0.16 2.12 5.08 -0.27 0.30 114.58 121.99 3knl h GLU 49 Ca 0.00 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3knl h GLU 49 Cb 0.00 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.27 3knl h GLU 49 CO 0.00 0.01 -0.99 0.93 -1.00 0.00 0.00 179.01 177.96 3knl h GLU 50 N 0.01 0.38 -0.89 2.33 4.39 -0.64 -3.08 114.58 117.09 3knl h GLU 50 Ca 0.59 -0.63 0.11 0.00 0.34 0.00 0.00 59.36 59.77 3knl h GLU 50 Cb 2.33 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 31.15 3knl h GLU 50 CO -0.02 1.29 0.57 -0.07 -1.16 0.00 0.00 179.01 179.63 3knl h LEU 51 N -0.21 0.78 0.00 1.33 3.38 0.24 -2.63 115.31 118.20 3knl h LEU 51 Ca -0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3knl h LEU 51 Cb 1.77 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3knl h LEU 51 CO 0.19 0.44 0.00 1.21 0.09 0.00 0.00 178.44 180.37 3knl n GLU 52 N -4.54 0.00 0.31 1.13 2.13 -0.61 -0.36 120.64 118.70 3knl n GLU 52 Ca 0.16 0.50 0.12 0.00 0.66 0.00 0.00 57.16 58.59 3knl n GLU 52 Cb 0.34 -1.36 0.64 0.00 0.27 0.00 0.00 31.44 31.32 3knl n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3knl h ARG 53 N 0.00 0.00 0.00 5.31 2.43 -1.47 -0.30 114.38 120.34 3knl h ARG 53 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3knl h ARG 53 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3knl h ARG 53 CO 0.00 0.00 -0.35 1.15 -1.51 0.00 0.00 179.97 179.26 3knl h THR 54 N 0.00 0.62 -0.49 0.20 2.02 -1.05 -3.16 112.91 111.06 3knl h THR 54 Ca 0.00 -1.56 0.02 0.00 0.77 0.00 0.00 66.41 65.64 3knl h THR 54 Cb 0.82 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3knl h THR 54 CO 0.00 0.21 0.32 -0.26 0.37 0.00 0.00 175.52 176.16 3knl h PHE 55 N -1.00 0.58 -0.39 3.16 0.04 0.00 0.29 116.94 119.63 3knl h PHE 55 Ca -0.07 0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.80 3knl h PHE 55 Cb 0.61 -0.19 -0.09 0.00 2.20 0.00 0.00 35.95 38.48 3knl h PHE 55 CO 0.04 0.35 -0.23 0.00 -0.60 0.00 0.00 178.31 177.87 3knl h ARG 56 N 0.61 -0.16 -0.04 1.51 2.47 -1.20 1.69 114.38 119.26 3knl h ARG 56 Ca 0.19 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3knl h ARG 56 Cb -0.00 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 3knl h ARG 56 CO -0.04 -0.11 0.02 0.35 0.56 0.00 0.00 179.97 180.75 3knl h PHE 57 N -0.17 0.05 -0.72 3.04 3.57 -1.14 -2.55 116.94 119.02 3knl h PHE 57 Ca 0.19 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.85 3knl h PHE 57 Cb 0.46 -0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.07 3knl h PHE 57 CO -0.46 0.16 0.07 0.82 -2.23 0.00 0.00 178.31 176.68 3knl h ILE 58 N -0.06 0.43 0.00 1.41 1.08 0.17 -1.06 117.51 119.47 3knl h ILE 58 Ca 0.01 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 3knl h ILE 58 Cb 0.12 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 3knl h ILE 58 CO -0.00 0.03 0.00 1.21 -0.69 0.00 0.00 178.15 178.70 3knl n GLU 59 N -5.26 0.00 -0.31 2.37 2.13 0.56 -0.15 120.64 119.97 3knl n GLU 59 Ca 0.13 0.19 0.23 0.00 0.66 0.00 0.00 57.16 58.37 3knl n GLU 59 Cb 0.45 -0.92 0.52 0.00 0.27 0.00 0.00 31.44 31.76 3knl n GLU 59 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3knl h ASP 60 N 0.00 0.42 -0.73 4.31 5.19 -1.55 1.35 116.42 125.42 3knl h ASP 60 Ca 0.00 0.07 0.11 0.00 -0.62 0.00 0.00 57.03 56.59 3knl h ASP 60 Cb 0.00 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 3knl h ASP 60 CO 0.00 0.10 0.34 0.25 -3.12 0.00 0.00 179.24 176.81 3knl h LEU 61 N 0.38 0.41 0.02 1.55 5.85 -0.97 0.87 115.31 123.42 3knl h LEU 61 Ca 0.57 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.37 3knl h LEU 61 Cb 1.49 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3knl h LEU 61 CO -0.26 0.21 -0.01 0.00 -0.34 0.00 0.00 178.44 178.04 3knl h ALA 62 N 1.47 -0.04 0.00 1.25 0.00 0.50 -3.17 119.26 119.26 3knl h ALA 62 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3knl h ALA 62 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3knl h ALA 62 CO -0.31 -0.04 0.10 0.00 0.00 0.00 0.00 179.25 178.99 3knl n MET 63 N -3.31 0.00 -0.05 0.00 0.00 0.12 0.21 117.12 114.09 3knl n MET 63 Ca -0.00 0.34 0.07 0.00 0.00 0.00 0.00 57.70 58.10 3knl n MET 63 Cb 0.01 -1.60 0.08 0.00 0.00 0.00 0.00 33.22 31.72 3knl n MET 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3knl n ARG 64 N -1.33 1.29 -2.46 3.17 1.85 0.30 -4.97 116.66 114.51 3knl n ARG 64 Ca 0.00 -1.48 -0.02 0.00 -1.00 0.00 0.00 57.85 55.34 3knl n ARG 64 Cb 0.10 -1.27 -0.02 0.00 -1.05 0.00 0.00 32.46 30.22 3knl n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knl n GLY 65 N 0.74 -5.32 0.00 2.89 0.00 0.56 -5.04 105.19 99.02 3knl n GLY 65 Ca 0.09 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.87 3knl n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 66 N 1.83 4.22 3.59 -0.02 0.00 -1.20 -5.01 105.19 108.60 3knl n GLY 66 Ca -0.17 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 3knl n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3knl s THR 67 N 2.99 0.00 -0.27 2.61 -4.23 -1.26 -5.03 115.64 110.45 3knl s THR 67 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 3knl s THR 67 Cb 0.00 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.92 3knl s THR 67 CO 0.00 0.00 0.05 -0.63 -0.54 0.00 0.00 174.62 173.50 3knl s ILE 68 N -0.47 0.99 -0.49 2.99 -1.09 -1.26 -2.25 121.20 119.62 3knl s ILE 68 Ca -0.03 -1.22 -0.28 0.00 -2.23 0.00 0.00 60.65 56.89 3knl s ILE 68 Cb -0.02 -1.60 0.01 0.00 -1.58 0.00 0.00 42.46 39.27 3knl s ILE 68 CO 0.02 -0.45 1.40 -0.22 -1.23 0.00 0.00 174.94 174.46 3knl s LEU 69 N 1.59 3.50 0.11 2.97 2.96 -0.86 -4.23 118.68 124.72 3knl s LEU 69 Ca 0.04 0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 54.20 3knl s LEU 69 Cb -0.18 -3.30 -0.06 0.00 0.50 0.00 0.00 46.19 43.15 3knl s LEU 69 CO -0.17 -1.57 0.96 -0.36 -1.32 0.00 0.00 176.35 173.90 3knl s PHE 70 N 5.73 3.81 -0.10 5.38 0.40 0.82 -2.80 117.98 131.22 3knl s PHE 70 Ca 0.56 1.80 -0.00 0.00 -0.60 0.00 0.00 56.93 58.69 3knl s PHE 70 Cb -0.12 -3.06 0.02 0.00 0.51 0.00 0.00 43.02 40.38 3knl s PHE 70 CO 0.29 0.21 -0.07 0.08 0.70 0.00 0.00 175.22 176.42 3knl s VAL 71 N 0.00 0.98 -0.28 -0.44 1.01 0.39 -2.85 120.40 119.22 3knl s VAL 71 Ca 0.47 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 3knl s VAL 71 Cb -0.23 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.23 3knl s VAL 71 CO 0.30 0.36 0.68 -0.83 0.00 0.00 0.00 175.10 175.60 3knl s GLY 72 N 1.60 -0.63 0.00 4.51 0.00 -1.18 -1.98 107.32 109.64 3knl s GLY 72 Ca 0.03 2.39 0.00 0.00 0.00 0.00 0.00 44.72 47.14 3knl s GLY 72 CO -0.07 2.38 0.00 -1.30 0.00 0.00 0.00 173.10 174.12 3knl n THR 73 N 4.32 0.00 -1.65 0.90 -2.24 -1.26 -4.18 114.28 110.18 3knl n THR 73 Ca -0.20 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 3knl n THR 73 Cb 0.59 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 3knl n THR 73 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3knl s LYS 74 N -0.61 3.46 0.39 -0.78 -2.85 -1.26 -4.55 119.74 113.53 3knl s LYS 74 Ca 0.00 2.19 0.34 0.00 -1.00 0.00 0.00 55.97 57.50 3knl s LYS 74 Cb 0.00 -4.30 1.17 0.00 -2.06 0.00 0.00 37.83 32.64 3knl s LYS 74 CO 0.00 -1.74 1.07 1.63 0.10 0.00 0.00 175.35 176.42 3knl n LYS 75 N 8.36 0.00 0.11 1.78 4.76 -1.26 0.14 118.16 132.06 3knl n LYS 75 Ca 0.26 0.75 0.02 0.00 -2.87 0.00 0.00 58.31 56.48 3knl n LYS 75 Cb 0.44 -1.75 0.38 0.00 -1.84 0.00 0.00 35.03 32.26 3knl n LYS 75 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 3knl h GLN 76 N 0.00 0.24 0.00 1.97 4.20 -1.88 -2.89 115.11 116.75 3knl h GLN 76 Ca 0.63 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.29 3knl h GLN 76 Cb 2.60 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 30.35 3knl h GLN 76 CO -0.01 0.39 -0.03 0.00 -0.67 0.00 0.00 178.83 178.52 3knl n ALA 77 N -2.49 1.91 -0.20 3.87 0.00 0.38 -4.48 120.51 119.50 3knl n ALA 77 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.16 3knl n ALA 77 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3knl n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3knl n GLN 78 N -0.60 0.00 -0.13 0.00 1.13 0.66 -3.51 117.38 114.93 3knl n GLN 78 Ca 0.03 0.53 -0.04 0.00 -1.94 0.00 0.00 57.00 55.58 3knl n GLN 78 Cb 0.40 -1.40 0.04 0.00 0.11 0.00 0.00 30.24 29.39 3knl n GLN 78 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3knl h ASP 79 N 0.00 0.10 0.00 1.08 3.32 -1.87 -2.98 116.42 116.06 3knl h ASP 79 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3knl h ASP 79 Cb 0.00 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3knl h ASP 79 CO 0.00 0.09 0.01 0.00 -1.72 0.00 0.00 179.24 177.62 3knl n ILE 80 N -5.05 1.80 -0.06 0.35 3.06 -1.25 -2.22 119.36 115.99 3knl n ILE 80 Ca 0.03 0.46 -0.22 0.00 -2.50 0.00 0.00 62.75 60.52 3knl n ILE 80 Cb 0.18 -1.46 -0.13 0.00 0.54 0.00 0.00 39.64 38.78 3knl n ILE 80 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 3knl n VAL 81 N -1.45 1.64 -0.37 9.51 0.31 -1.13 -3.50 118.33 123.35 3knl n VAL 81 Ca 0.00 -0.30 0.37 0.00 -0.01 0.00 0.00 64.34 64.40 3knl n VAL 81 Cb 0.01 -1.91 0.75 0.00 -0.91 0.00 0.00 33.84 31.78 3knl n VAL 81 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3knl h ARG 82 N -0.55 0.01 0.00 5.55 2.43 -1.58 -1.81 114.38 118.44 3knl h ARG 82 Ca -0.39 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3knl h ARG 82 Cb 1.62 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 3knl h ARG 82 CO -0.09 0.01 0.00 -1.33 -1.51 0.00 0.00 179.97 177.05 3knl n MET 83 N -4.17 0.00 -0.25 0.20 2.81 -1.22 -3.18 117.12 111.31 3knl n MET 83 Ca 0.28 0.00 0.21 0.00 -1.81 0.00 0.00 57.70 56.38 3knl n MET 83 Cb 1.34 -0.08 0.36 0.00 -0.71 0.00 0.00 33.22 34.13 3knl n MET 83 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3knl n GLU 84 N 0.00 -0.02 -0.09 0.03 -0.58 -1.21 0.26 120.64 119.03 3knl n GLU 84 Ca 0.00 0.68 -0.13 0.00 -0.42 0.00 0.00 57.16 57.29 3knl n GLU 84 Cb 0.00 -1.33 -0.04 0.00 -0.57 0.00 0.00 31.44 29.50 3knl n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knl h ALA 85 N 0.88 0.40 0.08 0.62 0.00 -1.51 -3.03 119.26 116.70 3knl h ALA 85 Ca 0.47 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3knl h ALA 85 Cb 1.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3knl h ALA 85 CO -0.27 0.42 -0.09 0.93 0.00 0.00 0.00 179.25 180.24 3knl h GLU 86 N 0.41 -0.18 -1.06 0.00 4.39 0.36 0.59 114.58 119.09 3knl h GLU 86 Ca 0.04 0.01 0.31 0.00 0.34 0.00 0.00 59.36 60.06 3knl h GLU 86 Cb 0.85 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 3knl h GLU 86 CO 0.07 -0.12 0.76 -0.09 -1.16 0.00 0.00 179.01 178.47 3knl h ARG 87 N -0.19 0.01 -0.01 2.33 2.43 -1.40 0.37 114.38 117.93 3knl h ARG 87 Ca 0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3knl h ARG 87 Cb 0.19 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3knl h ARG 87 CO -0.03 0.01 -0.61 0.00 -1.51 0.00 0.00 179.97 177.82 3knl n ALA 88 N -2.74 3.84 -1.77 2.80 0.00 -0.92 -4.97 120.51 116.76 3knl n ALA 88 Ca 0.22 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 3knl n ALA 88 Cb 1.11 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 3knl n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knl n GLY 89 N 1.37 0.64 3.91 0.00 0.00 0.13 -5.01 105.19 106.23 3knl n GLY 89 Ca 0.06 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3knl n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3knl s MET 90 N -3.77 3.57 0.19 1.61 -1.94 -0.54 -4.99 119.30 113.43 3knl s MET 90 Ca 0.00 -0.21 -0.31 0.00 -1.71 0.00 0.00 55.69 53.46 3knl s MET 90 Cb 0.00 -2.86 -0.10 0.00 2.01 0.00 0.00 34.83 33.88 3knl s MET 90 CO 0.00 0.45 1.56 -2.14 -0.01 0.00 0.00 175.02 174.88 3knl s PRO 91 N -2.91 4.21 0.32 2.03 0.02 -1.26 -4.52 135.00 132.89 3knl s PRO 91 Ca 0.40 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.81 3knl s PRO 91 Cb -0.12 -3.13 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 3knl s PRO 91 CO 0.27 -0.58 0.01 2.48 -0.33 0.00 0.00 177.00 178.84 3knl n TYR 92 N 3.52 0.70 -3.64 6.54 0.18 -1.26 -0.13 117.16 123.07 3knl n TYR 92 Ca 0.12 -1.60 -0.05 0.00 1.88 0.00 0.00 57.90 58.25 3knl n TYR 92 Cb 0.38 -0.20 -0.06 0.00 -0.38 0.00 0.00 39.34 39.09 3knl n TYR 92 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 3knl s VAL 93 N -2.20 -0.29 0.00 -3.48 -7.23 -1.13 -3.25 120.40 102.82 3knl s VAL 93 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 3knl s VAL 93 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 3knl s VAL 93 CO 0.01 0.00 0.65 0.59 -0.31 0.00 0.00 175.10 176.04 3knl n ASN 94 N 4.62 0.89 -0.41 4.85 3.02 -1.26 -3.11 115.26 123.85 3knl n ASN 94 Ca -0.17 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 3knl n ASN 94 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 3knl n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knl n GLN 95 N -0.20 2.17 -1.60 3.52 1.13 -1.26 -4.77 117.38 116.37 3knl n GLN 95 Ca 0.00 0.00 -0.56 0.00 -1.94 0.00 0.00 57.00 54.50 3knl n GLN 95 Cb 0.33 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.60 3knl n GLN 95 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3knl n ARG 96 N 0.00 1.01 -1.73 -1.09 3.00 -1.26 -4.69 116.66 111.90 3knl n ARG 96 Ca 0.00 0.34 -0.18 0.00 -0.01 0.00 0.00 57.85 58.00 3knl n ARG 96 Cb 0.00 -2.13 -0.08 0.00 0.00 0.00 0.00 32.46 30.24 3knl n ARG 96 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 3knl s TRP 97 N 4.81 1.38 -0.48 -1.55 -0.00 -1.26 -4.80 118.94 117.04 3knl s TRP 97 Ca 1.04 1.69 -0.44 0.00 -0.00 0.00 0.00 56.10 58.39 3knl s TRP 97 Cb -1.06 -3.57 -0.18 0.00 -0.00 0.00 0.00 33.47 28.66 3knl s TRP 97 CO 0.62 -1.23 2.01 1.28 -0.00 0.00 0.00 176.95 179.63 3knl n LEU 98 N 17.73 1.03 -4.69 5.86 4.77 -1.26 -4.79 117.00 135.65 3knl n LEU 98 Ca 0.44 0.78 -0.44 0.00 -0.03 0.00 0.00 56.01 56.76 3knl n LEU 98 Cb 0.45 -0.94 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 3knl n LEU 98 CO 0.59 -0.77 1.03 0.61 -1.33 0.00 0.00 177.39 177.52 3knl n GLY 99 N 6.55 0.82 1.35 -0.72 0.00 -1.26 -1.06 105.19 110.86 3knl n GLY 99 Ca 0.48 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.95 3knl n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 100 N 1.90 0.71 0.00 -0.02 0.00 -1.26 -4.88 105.19 101.64 3knl n GLY 100 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3knl n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3knl n MET 101 N -2.52 0.00 0.04 1.61 2.81 -0.23 -0.27 117.12 118.57 3knl n MET 101 Ca 0.00 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 3knl n MET 101 Cb 0.00 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 3knl n MET 101 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3knl n LEU 102 N -1.46 0.14 -0.34 4.03 4.32 -1.26 -4.18 117.00 118.24 3knl n LEU 102 Ca 0.00 0.12 0.29 0.00 -0.02 0.00 0.00 56.01 56.40 3knl n LEU 102 Cb 0.02 0.03 0.61 0.00 -1.62 0.00 0.00 43.42 42.46 3knl n LEU 102 CO 0.00 -0.60 1.26 0.74 -1.22 0.00 0.00 177.39 177.57 3knl h THR 103 N 0.00 0.43 -0.28 -5.08 2.02 -1.83 0.90 112.91 109.07 3knl h THR 103 Ca 0.00 -0.08 -0.22 0.00 0.77 0.00 0.00 66.41 66.89 3knl h THR 103 Cb 0.00 0.19 -0.20 0.00 -1.74 0.00 0.00 68.15 66.40 3knl h THR 103 CO 0.00 0.04 -0.69 -3.20 0.37 0.00 0.00 175.52 172.04 3knl n ASN 104 N -4.48 2.76 -0.34 4.18 2.85 0.63 -4.75 115.26 116.11 3knl n ASN 104 Ca 0.27 -3.60 0.24 0.00 -0.11 0.00 0.00 54.58 51.39 3knl n ASN 104 Cb 1.08 -0.44 0.52 0.00 1.24 0.00 0.00 39.78 42.18 3knl n ASN 104 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3knl h PHE 105 N 1.49 0.65 -0.01 1.20 3.57 0.25 -0.78 116.94 123.32 3knl h PHE 105 Ca 0.10 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3knl h PHE 105 Cb 1.27 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 3knl h PHE 105 CO 0.73 0.02 -0.51 0.87 -2.23 0.00 0.00 178.31 177.19 3knl h LYS 106 N 0.36 -0.63 0.04 1.11 1.57 -1.85 0.63 116.57 117.81 3knl h LYS 106 Ca 0.62 0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 59.22 3knl h LYS 106 Cb 1.63 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 34.06 3knl h LYS 106 CO -0.32 -0.42 -1.06 1.15 -0.57 0.00 0.00 179.45 178.23 3knl h THR 107 N -0.65 1.62 -0.05 -0.16 2.02 -1.63 -3.11 112.91 110.95 3knl h THR 107 Ca 0.02 -3.21 -0.05 0.00 0.77 0.00 0.00 66.41 63.94 3knl h THR 107 Cb 0.71 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.95 3knl h THR 107 CO -0.36 0.93 -0.21 0.40 0.37 0.00 0.00 175.52 176.65 3knl h ILE 108 N 0.03 1.18 -0.41 3.11 1.08 -1.12 -0.73 117.51 120.66 3knl h ILE 108 Ca -0.05 -0.83 0.06 0.00 -0.39 0.00 0.00 64.86 63.65 3knl h ILE 108 Cb 1.80 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 36.91 3knl h ILE 108 CO 0.15 0.24 0.27 0.28 -0.69 0.00 0.00 178.15 178.41 3knl h SER 109 N 0.07 0.28 0.00 1.72 0.02 -0.79 -1.80 113.55 113.04 3knl h SER 109 Ca 0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3knl h SER 109 Cb 0.42 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3knl h SER 109 CO 0.03 0.18 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 3knl n GLN 110 N -4.48 0.55 0.00 3.45 6.02 -0.28 -0.93 117.38 121.71 3knl n GLN 110 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3knl n GLN 110 Cb 0.25 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3knl n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3knl n ARG 111 N 1.09 0.00 0.11 -1.09 5.12 -0.68 -4.44 116.66 116.78 3knl n ARG 111 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 3knl n ARG 111 Cb 0.28 -0.72 0.13 0.00 -1.16 0.00 0.00 32.46 30.99 3knl n ARG 111 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3knl h VAL 112 N 0.00 1.44 0.00 1.55 2.07 -1.40 -0.23 116.25 119.68 3knl h VAL 112 Ca 0.00 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.32 3knl h VAL 112 Cb 0.44 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3knl h VAL 112 CO 0.00 0.63 -0.13 -0.74 0.02 0.00 0.00 177.57 177.35 3knl h HIS 113 N 0.06 0.00 0.14 1.57 6.17 -1.30 -0.70 115.15 121.09 3knl h HIS 113 Ca -0.01 0.00 -0.36 0.00 0.71 0.00 0.00 60.37 60.72 3knl h HIS 113 Cb 1.16 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.08 3knl h HIS 113 CO 0.01 0.13 -1.90 -0.09 0.71 0.00 0.00 177.93 176.79 3knl h ARG 114 N 0.00 0.29 -0.53 5.26 9.65 -1.58 -3.24 114.38 124.22 3knl h ARG 114 Ca -0.00 -0.49 0.06 0.00 -1.10 0.00 0.00 59.98 58.45 3knl h ARG 114 Cb 0.32 0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.03 3knl h ARG 114 CO 0.02 1.20 0.24 1.25 2.80 0.00 0.00 179.97 185.48 3knl h LEU 115 N 0.08 0.31 -0.10 3.80 5.85 -0.57 0.64 115.31 125.33 3knl h LEU 115 Ca -0.39 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3knl h LEU 115 Cb 2.05 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 43.07 3knl h LEU 115 CO 0.12 0.21 0.00 -1.84 -0.34 0.00 0.00 178.44 176.59 3knl n GLU 116 N -4.92 1.06 -0.08 1.25 0.28 -0.31 0.42 120.64 118.34 3knl n GLU 116 Ca 0.06 -0.10 -0.08 0.00 -0.16 0.00 0.00 57.16 56.88 3knl n GLU 116 Cb 0.18 -1.04 -0.11 0.00 1.43 0.00 0.00 31.44 31.89 3knl n GLU 116 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3knl n GLU 117 N -0.44 1.46 0.07 3.44 2.13 0.18 -4.01 120.64 123.46 3knl n GLU 117 Ca 0.02 0.01 0.02 0.00 0.66 0.00 0.00 57.16 57.86 3knl n GLU 117 Cb 0.03 -1.38 -0.04 0.00 0.27 0.00 0.00 31.44 30.32 3knl n GLU 117 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3knl h LEU 118 N 0.00 0.00 -0.91 4.31 3.38 0.34 -3.09 115.31 119.34 3knl h LEU 118 Ca -0.40 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.60 3knl h LEU 118 Cb 1.87 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.57 3knl h LEU 118 CO 0.01 0.51 0.59 -0.08 0.09 0.00 0.00 178.44 179.56 3knl h GLU 119 N 0.00 1.13 0.00 1.13 4.57 -0.21 0.19 114.58 121.38 3knl h GLU 119 Ca -0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3knl h GLU 119 Cb 1.47 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3knl h GLU 119 CO 0.05 0.75 0.00 0.00 -1.18 0.00 0.00 179.01 178.62 3knl n ALA 120 N -2.35 -0.33 0.00 2.92 0.00 -1.19 -2.34 120.51 117.22 3knl n ALA 120 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3knl n ALA 120 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3knl n ALA 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3knl n LEU 121 N -1.49 0.00 0.00 0.00 0.00 -1.17 -3.68 117.00 110.66 3knl n LEU 121 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 56.01 56.25 3knl n LEU 121 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 43.42 43.18 3knl n LEU 121 CO 0.00 -0.24 0.00 0.33 0.00 0.00 0.00 177.39 177.48 3knl n PHE 122 N -1.19 0.00 -2.41 1.96 7.35 0.66 -4.21 117.46 119.61 3knl n PHE 122 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3knl n PHE 122 Cb 0.09 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.90 3knl n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3knl s ALA 123 N -2.14 2.82 -0.11 3.13 0.00 -1.24 -4.90 121.76 119.32 3knl s ALA 123 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 51.96 50.95 3knl s ALA 123 Cb 0.00 -4.10 0.13 0.00 0.00 0.00 0.00 23.12 19.15 3knl s ALA 123 CO 0.00 -2.91 1.16 0.45 0.00 0.00 0.00 175.76 174.46 3knl s SER 124 N 4.30 -0.16 0.14 0.00 0.15 -1.26 -4.96 113.70 111.91 3knl s SER 124 Ca 0.51 -0.05 0.26 0.00 0.70 0.00 0.00 55.95 57.37 3knl s SER 124 Cb -0.10 0.20 0.65 0.00 -1.71 0.00 0.00 66.02 65.06 3knl s SER 124 CO 0.25 -0.34 1.59 -0.81 1.20 0.00 0.00 173.24 175.13 3knl n PRO 125 N -0.21 0.23 0.00 5.44 -0.04 -1.26 -3.89 135.00 135.26 3knl n PRO 125 Ca -0.03 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3knl n PRO 125 Cb 0.60 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3knl n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3knl n GLU 126 N -2.07 0.00 0.00 0.54 1.02 -1.26 -0.88 120.64 117.99 3knl n GLU 126 Ca 0.05 0.35 0.04 0.00 -0.02 0.00 0.00 57.16 57.58 3knl n GLU 126 Cb 0.42 -1.59 0.24 0.00 -0.02 0.00 0.00 31.44 30.49 3knl n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3knl n ILE 127 N -1.34 0.00 0.00 -3.67 2.08 -1.25 -4.61 119.36 110.57 3knl n ILE 127 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3knl n ILE 127 Cb 0.09 -0.62 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 3knl n ILE 127 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3knl n GLU 128 N -0.82 0.00 -0.09 0.38 4.07 -0.06 -3.89 120.64 120.24 3knl n GLU 128 Ca 0.06 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.99 3knl n GLU 128 Cb 0.03 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.30 3knl n GLU 128 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3knl h GLU 129 N 0.00 0.00 -0.95 5.31 5.08 -1.90 -3.49 114.58 118.63 3knl h GLU 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3knl h GLU 129 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3knl h GLU 129 CO 0.00 0.90 0.00 0.54 -1.00 0.00 0.00 179.01 179.45 3knl n ARG 130 N -4.52 0.00 -1.55 2.33 5.12 -1.25 -4.60 116.66 112.19 3knl n ARG 130 Ca -0.21 0.00 -0.52 0.00 -1.93 0.00 0.00 57.85 55.18 3knl n ARG 130 Cb 0.56 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.80 3knl n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3knl n PRO 131 N 0.50 0.77 0.28 5.56 -0.04 -1.26 -4.70 135.00 136.11 3knl n PRO 131 Ca 0.00 0.28 0.19 0.00 -0.04 0.00 0.00 63.50 63.93 3knl n PRO 131 Cb 0.00 -1.77 1.00 0.00 -0.04 0.00 0.00 33.50 32.70 3knl n PRO 131 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3knl h LYS 132 N 3.37 0.00 -0.61 0.54 3.64 -1.98 -1.90 116.57 119.63 3knl h LYS 132 Ca -0.45 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 3knl h LYS 132 Cb 1.37 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.08 3knl h LYS 132 CO 0.70 0.00 -0.41 0.87 -2.27 0.00 0.00 179.45 178.34 3knl h LYS 133 N 0.00 -0.19 -0.02 1.90 1.79 -1.98 -2.37 116.57 115.70 3knl h LYS 133 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3knl h LYS 133 Cb 0.03 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3knl h LYS 133 CO 0.00 -0.12 -0.19 0.39 -1.08 0.00 0.00 179.45 178.44 3knl n GLU 134 N -5.41 1.63 0.32 3.15 -0.58 -0.94 -4.29 120.64 114.52 3knl n GLU 134 Ca 0.03 -1.30 0.20 0.00 -0.42 0.00 0.00 57.16 55.68 3knl n GLU 134 Cb 0.35 -1.37 1.12 0.00 -0.57 0.00 0.00 31.44 30.97 3knl n GLU 134 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3knl h GLN 135 N 3.01 0.00 0.02 3.49 4.20 -0.80 0.02 115.11 125.04 3knl h GLN 135 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3knl h GLN 135 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3knl h GLN 135 CO 0.00 0.00 -0.01 0.28 -0.67 0.00 0.00 178.83 178.43 3knl h VAL 136 N 0.00 0.00 -0.52 -0.54 2.07 -1.74 -3.27 116.25 112.26 3knl h VAL 136 Ca 0.00 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3knl h VAL 136 Cb 0.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 3knl h VAL 136 CO -0.00 0.00 0.23 -0.09 0.02 0.00 0.00 177.57 177.73 3knl h ARG 137 N -0.28 0.42 -1.12 1.57 1.12 -1.79 0.57 114.38 114.88 3knl h ARG 137 Ca -0.00 -0.03 0.31 0.00 -1.11 0.00 0.00 59.98 59.15 3knl h ARG 137 Cb 0.02 -0.10 -0.09 0.00 -0.01 0.00 0.00 29.97 29.79 3knl h ARG 137 CO 0.00 0.28 0.74 -0.07 -3.11 0.00 0.00 179.97 177.81 3knl h LEU 138 N 0.44 0.33 0.03 3.80 3.38 -1.17 1.38 115.31 123.49 3knl h LEU 138 Ca 0.24 0.08 -0.29 0.00 0.09 0.00 0.00 57.88 58.00 3knl h LEU 138 Cb 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3knl h LEU 138 CO -0.21 0.03 -1.64 0.11 0.09 0.00 0.00 178.44 176.82 3knl h LYS 139 N 0.27 0.06 0.21 1.13 1.79 -1.05 -3.34 116.57 115.64 3knl h LYS 139 Ca 0.63 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 59.01 3knl h LYS 139 Cb 1.83 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 32.49 3knl h LYS 139 CO -0.26 0.70 -0.27 1.25 -1.08 0.00 0.00 179.45 179.80 3knl h HIS 140 N 0.02 -0.71 0.00 -1.35 2.76 0.61 0.15 115.15 116.63 3knl h HIS 140 Ca -0.26 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 3knl h HIS 140 Cb 1.99 0.28 0.00 0.00 1.55 0.00 0.00 27.41 31.23 3knl h HIS 140 CO 0.02 -0.38 0.12 -1.91 -1.30 0.00 0.00 177.93 174.47 3knl n GLU 141 N -5.39 0.00 0.06 5.26 2.13 0.39 0.25 120.64 123.35 3knl n GLU 141 Ca -0.08 0.28 0.10 0.00 0.66 0.00 0.00 57.16 58.12 3knl n GLU 141 Cb 0.29 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 30.33 3knl n GLU 141 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3knl n LEU 142 N -1.25 0.60 0.16 4.31 7.94 0.51 -3.98 117.00 125.29 3knl n LEU 142 Ca 0.00 0.24 -0.07 0.00 -1.11 0.00 0.00 56.01 55.07 3knl n LEU 142 Cb 0.12 -0.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.02 3knl n LEU 142 CO 0.00 -0.09 0.34 -0.33 -1.11 0.00 0.00 177.39 176.19 3knl h GLU 143 N 0.00 -0.42 -0.51 1.96 4.39 0.36 -2.38 114.58 117.98 3knl h GLU 143 Ca -0.03 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3knl h GLU 143 Cb 1.08 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 3knl h GLU 143 CO 0.00 -0.28 0.22 0.07 -1.16 0.00 0.00 179.01 177.87 3knl h ARG 144 N -0.60 0.73 0.36 2.33 0.11 -1.78 0.36 114.38 115.89 3knl h ARG 144 Ca -0.04 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 59.92 3knl h ARG 144 Cb 0.33 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.28 3knl h ARG 144 CO 0.07 0.59 -0.18 -0.07 0.10 0.00 0.00 179.97 180.48 3knl h LEU 145 N 0.73 -0.43 -1.52 0.08 -0.00 -1.69 0.28 115.31 112.75 3knl h LEU 145 Ca 0.18 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 3knl h LEU 145 Cb 0.12 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 3knl h LEU 145 CO -0.02 -0.30 0.03 -0.61 -0.00 0.00 0.00 178.44 177.53 3knl h GLN 146 N -0.50 0.33 0.20 1.13 4.15 -1.09 0.23 115.11 119.56 3knl h GLN 146 Ca -0.05 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3knl h GLN 146 Cb 0.38 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3knl h GLN 146 CO 0.08 0.34 -0.10 -0.22 -1.93 0.00 0.00 178.83 177.00 3knl h LYS 147 N 0.33 -0.26 0.00 1.69 3.64 0.51 -2.90 116.57 119.57 3knl h LYS 147 Ca 0.08 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3knl h LYS 147 Cb 0.18 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3knl h LYS 147 CO 0.00 0.05 -0.23 1.88 -2.27 0.00 0.00 179.45 178.88 3knl h TYR 148 N -0.59 0.00 0.00 1.91 0.05 -0.31 -3.37 116.97 114.66 3knl h TYR 148 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3knl h TYR 148 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 3knl h TYR 148 CO 0.02 0.09 0.00 1.28 -1.05 0.00 0.00 178.16 178.50 3knl n LEU 149 N -4.70 0.00 -0.13 3.88 4.77 0.80 -4.25 117.00 117.37 3knl n LEU 149 Ca -0.04 0.09 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 3knl n LEU 149 Cb 0.14 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 3knl n LEU 149 CO 0.06 -0.06 0.27 -1.20 -1.33 0.00 0.00 177.39 175.13 3knl n SER 150 N -1.09 -0.08 -0.11 -1.43 7.64 -1.09 -1.41 113.62 116.05 3knl n SER 150 Ca 0.06 0.62 -0.14 0.00 1.01 0.00 0.00 58.87 60.42 3knl n SER 150 Cb 0.04 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 62.92 3knl n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3knl n GLY 151 N -1.20 -0.45 0.43 0.23 0.00 -1.26 -4.37 105.19 98.57 3knl n GLY 151 Ca 0.07 -0.18 0.29 0.00 0.00 0.00 0.00 46.02 46.20 3knl n GLY 151 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3knl h PHE 152 N 0.00 0.58 -0.50 1.61 3.04 -1.21 -2.03 116.94 118.42 3knl h PHE 152 Ca -0.49 0.02 0.06 0.00 3.98 0.00 0.00 57.97 61.54 3knl h PHE 152 Cb 1.85 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 40.14 3knl h PHE 152 CO 0.02 -0.06 -0.26 0.54 -2.02 0.00 0.00 178.31 176.53 3knl n ARG 153 N -4.65 -0.18 0.00 1.11 1.74 -0.62 -2.87 116.66 111.18 3knl n ARG 153 Ca 0.31 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 3knl n ARG 153 Cb 1.13 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3knl n ARG 153 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3knl n LEU 154 N -4.68 0.00 0.00 0.55 4.77 -0.76 -4.68 117.00 112.20 3knl n LEU 154 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3knl n LEU 154 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3knl n LEU 154 CO -0.08 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 175.87 3knl n LEU 155 N 0.00 0.00 -0.65 2.23 -0.00 -1.14 -4.80 117.00 112.64 3knl n LEU 155 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.09 3knl n LEU 155 Cb 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 43.63 3knl n LEU 155 CO 0.00 0.00 0.66 0.29 -0.00 0.00 0.00 177.39 178.34 3knl n LYS 156 N 0.00 2.57 -3.64 1.96 5.02 -1.26 -4.97 118.16 117.84 3knl n LYS 156 Ca 0.00 -2.65 -0.06 0.00 -2.02 0.00 0.00 58.31 53.58 3knl n LYS 156 Cb 0.00 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.27 3knl n LYS 156 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3knl s ARG 157 N -2.57 0.44 -0.27 1.97 3.52 -1.26 -5.10 118.95 115.68 3knl s ARG 157 Ca 0.36 0.61 -0.24 0.00 -0.13 0.00 0.00 55.73 56.34 3knl s ARG 157 Cb 0.29 0.17 -0.10 0.00 -1.56 0.00 0.00 34.95 33.74 3knl s ARG 157 CO 0.08 -0.07 1.09 1.28 -0.81 0.00 0.00 175.30 176.88 3knl n LEU 158 N 2.82 0.44 -4.27 -0.88 4.32 -1.26 -4.80 117.00 113.38 3knl n LEU 158 Ca -0.15 0.41 -0.37 0.00 -0.02 0.00 0.00 56.01 55.88 3knl n LEU 158 Cb 0.57 -0.48 0.05 0.00 -1.62 0.00 0.00 43.42 41.94 3knl n LEU 158 CO 0.02 -0.42 -0.55 -2.65 -1.22 0.00 0.00 177.39 172.57 3knl n PRO 159 N 3.69 0.08 -0.94 3.23 -0.02 -1.26 -4.90 135.00 134.88 3knl n PRO 159 Ca 0.27 0.05 -0.14 0.00 -2.02 0.00 0.00 63.50 61.66 3knl n PRO 159 Cb -0.02 -1.36 0.18 0.00 -0.02 0.00 0.00 33.50 32.28 3knl n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3knl n ASP 160 N 1.51 3.87 0.00 2.55 8.00 -0.95 -4.94 116.55 126.59 3knl n ASP 160 Ca 0.06 -3.18 0.00 0.00 0.71 0.00 0.00 54.79 52.38 3knl n ASP 160 Cb 0.51 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3knl n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knl n ALA 161 N -0.54 0.00 -3.58 2.24 0.00 -1.25 -4.59 120.51 112.78 3knl n ALA 161 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 3knl n ALA 161 Cb 1.36 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.74 3knl n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3knl s ILE 162 N -1.38 -0.76 0.06 0.00 -4.36 -0.94 -2.02 121.20 111.80 3knl s ILE 162 Ca 0.00 0.09 -0.27 0.00 -0.26 0.00 0.00 60.65 60.20 3knl s ILE 162 Cb 0.00 -0.79 -0.05 0.00 1.25 0.00 0.00 42.46 42.86 3knl s ILE 162 CO 0.00 0.02 0.86 0.12 0.24 0.00 0.00 174.94 176.18 3knl s PHE 163 N 2.70 3.75 0.05 1.37 5.99 -1.12 -1.98 117.98 128.73 3knl s PHE 163 Ca 0.01 1.61 0.03 0.00 0.00 0.00 0.00 56.93 58.57 3knl s PHE 163 Cb -0.13 -2.94 -0.03 0.00 0.00 0.00 0.00 43.02 39.93 3knl s PHE 163 CO -0.15 0.21 -0.08 0.08 -0.00 0.00 0.00 175.22 175.28 3knl s VAL 164 N 0.10 0.62 0.00 3.12 1.01 0.15 -0.46 120.40 124.93 3knl s VAL 164 Ca 0.43 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3knl s VAL 164 Cb -0.22 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3knl s VAL 164 CO 0.26 -0.40 0.00 1.33 0.00 0.00 0.00 175.10 176.29 3knl n VAL 165 N 1.33 0.00 -3.12 2.92 0.24 -0.84 0.73 118.33 119.59 3knl n VAL 165 Ca -0.22 0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.66 3knl n VAL 165 Cb 0.55 -0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 32.63 3knl n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3knl s ASP 166 N -1.21 6.25 0.46 -1.34 3.68 -1.26 -3.61 116.67 119.64 3knl s ASP 166 Ca 0.00 -0.76 0.13 0.00 2.13 0.00 0.00 52.55 54.05 3knl s ASP 166 Cb 0.00 -2.31 1.04 0.00 -1.45 0.00 0.00 42.92 40.20 3knl s ASP 166 CO 0.00 -0.91 2.05 1.55 0.13 0.00 0.00 175.17 177.99 3knl h PRO 167 N 9.01 0.15 -0.02 4.34 0.13 -1.86 0.43 132.00 144.18 3knl h PRO 167 Ca -0.27 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 3knl h PRO 167 Cb 1.09 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3knl h PRO 167 CO 0.96 0.18 -0.78 1.79 -0.23 0.00 0.00 178.00 179.93 3knl h THR 168 N 0.15 1.47 0.00 1.56 1.35 -1.95 1.39 112.91 116.88 3knl h THR 168 Ca 0.04 -2.44 -0.00 0.00 -0.55 0.00 0.00 66.41 63.46 3knl h THR 168 Cb 0.13 2.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3knl h THR 168 CO 0.00 0.71 -0.00 0.50 -0.25 0.00 0.00 175.52 176.48 3knl h LYS 169 N 0.10 0.00 -0.45 4.72 3.11 -1.38 -3.15 116.57 119.53 3knl h LYS 169 Ca -0.03 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.53 3knl h LYS 169 Cb 1.36 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 32.20 3knl h LYS 169 CO 0.12 0.00 -1.04 0.39 -2.81 0.00 0.00 179.45 176.10 3knl n GLU 170 N -3.09 1.94 -0.34 1.90 4.71 -0.34 -4.88 120.64 120.53 3knl n GLU 170 Ca 0.01 -3.51 0.26 0.00 -0.01 0.00 0.00 57.16 53.91 3knl n GLU 170 Cb 0.33 -1.61 0.54 0.00 -1.01 0.00 0.00 31.44 29.70 3knl n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3knl h ALA 171 N 2.36 2.36 -2.93 0.62 0.00 0.19 -2.38 119.26 119.48 3knl h ALA 171 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3knl h ALA 171 Cb 1.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3knl h ALA 171 CO 0.28 -0.80 0.00 -0.89 0.00 0.00 0.00 179.25 177.84 3knl n ILE 172 N -4.61 0.00 -0.32 0.00 -0.00 -1.26 -0.59 119.36 112.57 3knl n ILE 172 Ca 0.27 1.01 -0.08 0.00 -0.00 0.00 0.00 62.75 63.95 3knl n ILE 172 Cb 0.99 -1.59 -0.05 0.00 -0.00 0.00 0.00 39.64 38.99 3knl n ILE 172 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3knl h ALA 173 N -1.98 -0.33 -1.62 -1.39 0.00 -1.80 0.86 119.26 113.00 3knl h ALA 173 Ca 0.00 0.14 0.52 0.00 0.00 0.00 0.00 54.91 55.57 3knl h ALA 173 Cb 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 3knl h ALA 173 CO 0.00 -0.85 1.10 0.28 0.00 0.00 0.00 179.25 179.78 3knl n VAL 174 N -5.36 -0.15 0.02 0.00 0.31 -0.81 0.20 118.33 112.54 3knl n VAL 174 Ca 0.03 1.67 -0.22 0.00 -0.01 0.00 0.00 64.34 65.81 3knl n VAL 174 Cb 0.33 -2.75 -0.14 0.00 -0.91 0.00 0.00 33.84 30.37 3knl n VAL 174 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3knl h ARG 175 N 0.00 0.27 -0.84 5.55 2.43 0.31 -2.09 114.38 120.01 3knl h ARG 175 Ca 0.90 -0.47 0.23 0.00 -0.81 0.00 0.00 59.98 59.83 3knl h ARG 175 Cb 3.21 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 32.89 3knl h ARG 175 CO -0.28 1.22 0.59 1.49 -1.51 0.00 0.00 179.97 181.49 3knl h GLU 176 N -0.12 0.12 0.00 0.20 4.57 0.50 0.25 114.58 120.10 3knl h GLU 176 Ca -0.36 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3knl h GLU 176 Cb 1.91 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.47 3knl h GLU 176 CO 0.08 0.08 -0.17 0.00 -1.18 0.00 0.00 179.01 177.82 3knl h ALA 177 N 1.60 0.00 -0.96 2.92 0.00 -0.63 -2.90 119.26 119.28 3knl h ALA 177 Ca 0.41 -0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.42 3knl h ALA 177 Cb 1.45 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 3knl h ALA 177 CO -0.06 0.17 1.20 -2.13 0.00 0.00 0.00 179.25 178.43 3knl n ARG 178 N -4.30 0.02 -0.08 0.00 3.00 -0.78 -0.04 116.66 114.46 3knl n ARG 178 Ca -0.02 1.01 -0.13 0.00 -0.00 0.00 0.00 57.85 58.70 3knl n ARG 178 Cb 0.09 -2.53 -0.08 0.00 0.00 0.00 0.00 32.46 29.94 3knl n ARG 178 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 3knl h LYS 179 N 0.00 0.00 -0.52 -0.14 3.64 -0.62 -3.36 116.57 115.58 3knl h LYS 179 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3knl h LYS 179 Cb 2.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.68 3knl h LYS 179 CO -0.00 0.60 0.00 1.28 -2.27 0.00 0.00 179.45 179.05 3knl n LEU 180 N -4.55 0.52 -3.36 5.20 4.77 0.94 -4.78 117.00 115.74 3knl n LEU 180 Ca -0.19 -0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 55.40 3knl n LEU 180 Cb 0.46 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3knl n LEU 180 CO 0.16 0.13 0.10 0.49 -1.33 0.00 0.00 177.39 176.94 3knl n PHE 181 N 0.19 -2.51 -4.19 -1.77 3.72 -0.92 -5.01 117.46 106.97 3knl n PHE 181 Ca 0.00 0.91 -0.17 0.00 -0.05 0.00 0.00 57.45 58.14 3knl n PHE 181 Cb 0.13 -3.69 -0.15 0.00 -0.94 0.00 0.00 39.48 34.83 3knl n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3knl s ILE 182 N -3.13 0.47 0.32 4.37 1.01 -1.05 -5.04 121.20 118.15 3knl s ILE 182 Ca 0.15 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 3knl s ILE 182 Cb -0.04 -0.42 -0.12 0.00 0.01 0.00 0.00 42.46 41.89 3knl s ILE 182 CO 0.80 0.15 1.38 -2.65 0.00 0.00 0.00 174.94 174.62 3knl n PRO 183 N 3.16 2.27 -3.87 2.79 -0.02 -1.26 -4.08 135.00 133.99 3knl n PRO 183 Ca -0.16 0.80 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 3knl n PRO 183 Cb 0.56 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 3knl n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3knl s VAL 184 N -0.77 2.96 -0.20 -1.45 1.01 -1.26 -2.21 120.40 118.48 3knl s VAL 184 Ca 0.58 -2.72 -0.08 0.00 0.00 0.00 0.00 61.98 59.77 3knl s VAL 184 Cb -0.56 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3knl s VAL 184 CO 0.58 -0.75 0.08 0.27 0.00 0.00 0.00 175.10 175.29 3knl s ILE 185 N 0.37 4.85 -0.01 2.22 -4.36 -0.84 -1.92 121.20 121.51 3knl s ILE 185 Ca 0.14 -0.01 -0.28 0.00 -0.26 0.00 0.00 60.65 60.23 3knl s ILE 185 Cb -0.22 -3.21 0.09 0.00 1.25 0.00 0.00 42.46 40.37 3knl s ILE 185 CO -0.04 0.43 0.75 0.00 0.24 0.00 0.00 174.94 176.32 3knl s ALA 186 N 0.59 -1.76 -1.18 2.27 0.00 -1.18 0.29 121.76 120.79 3knl s ALA 186 Ca 0.04 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 3knl s ALA 186 Cb -0.13 0.17 0.22 0.00 0.00 0.00 0.00 23.12 23.38 3knl s ALA 186 CO 0.01 -0.51 1.42 -0.11 0.00 0.00 0.00 175.76 176.57 3knl n LEU 187 N 0.36 5.70 0.00 0.00 -0.00 0.22 -1.50 117.00 121.79 3knl n LEU 187 Ca -0.15 -4.76 -0.21 0.00 -0.00 0.00 0.00 56.01 50.88 3knl n LEU 187 Cb 0.60 -1.51 0.09 0.00 -0.00 0.00 0.00 43.42 42.60 3knl n LEU 187 CO 0.17 1.15 0.46 0.00 -0.00 0.00 0.00 177.39 179.17 3knl n ALA 188 N 3.89 0.76 -3.00 1.96 0.00 -1.21 -4.31 120.51 118.59 3knl n ALA 188 Ca 0.32 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.71 3knl n ALA 188 Cb 0.39 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.30 3knl n ALA 188 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3knl n ASP 189 N -2.60 0.00 -0.43 0.00 5.75 -1.26 -2.30 116.55 115.71 3knl n ASP 189 Ca 0.17 -0.41 0.38 0.00 -0.01 0.00 0.00 54.79 54.91 3knl n ASP 189 Cb 0.60 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 41.34 3knl n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3knl h THR 190 N 0.41 0.02 -0.22 2.12 1.35 -1.91 0.27 112.91 114.95 3knl h THR 190 Ca 0.00 -0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.88 3knl h THR 190 Cb 0.00 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.37 3knl h THR 190 CO 0.00 0.00 -0.38 -0.78 -0.25 0.00 0.00 175.52 174.11 3knl h ASP 191 N 0.01 -1.24 -1.87 5.36 -0.00 -1.89 -3.27 116.42 113.52 3knl h ASP 191 Ca 0.87 0.16 -0.47 0.00 -0.00 0.00 0.00 57.03 57.58 3knl h ASP 191 Cb 2.65 0.50 -0.02 0.00 -0.00 0.00 0.00 39.33 42.46 3knl h ASP 191 CO -0.55 -0.29 -0.41 -0.44 -0.00 0.00 0.00 179.24 177.54 3knl s SER 192 N -4.25 5.59 0.47 2.28 0.01 0.95 -4.65 113.70 114.11 3knl s SER 192 Ca -0.10 -0.34 -0.06 0.00 1.31 0.00 0.00 55.95 56.75 3knl s SER 192 Cb 0.05 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.11 3knl s SER 192 CO 0.42 -0.35 0.79 1.51 0.41 0.00 0.00 173.24 176.02 3knl s ASP 193 N -4.05 6.31 0.00 2.44 3.84 -1.26 -4.31 116.67 119.64 3knl s ASP 193 Ca 0.41 0.98 0.00 0.00 -0.00 0.00 0.00 52.55 53.94 3knl s ASP 193 Cb -0.07 -2.27 0.00 0.00 -1.38 0.00 0.00 42.92 39.20 3knl s ASP 193 CO 0.28 -0.55 0.23 -0.81 -0.00 0.00 0.00 175.17 174.31 3knl n PRO 194 N -2.09 0.00 0.00 2.11 -0.04 -1.25 -4.56 135.00 129.16 3knl n PRO 194 Ca 0.01 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3knl n PRO 194 Cb 0.55 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 3knl n PRO 194 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3knl n ASP 195 N -1.61 0.00 0.00 3.54 9.92 -1.26 0.19 116.55 127.33 3knl n ASP 195 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 3knl n ASP 195 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 3knl n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3knl n LEU 196 N -1.61 0.00 -4.29 0.64 -0.00 -1.26 -4.46 117.00 106.02 3knl n LEU 196 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 3knl n LEU 196 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 3knl n LEU 196 CO 0.00 0.00 -0.47 -0.69 -0.00 0.00 0.00 177.39 176.23 3knl s VAL 197 N -2.00 2.77 0.00 1.47 1.01 0.50 -4.95 120.40 119.21 3knl s VAL 197 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3knl s VAL 197 Cb 0.02 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3knl s VAL 197 CO 0.03 0.51 0.12 0.47 0.00 0.00 0.00 175.10 176.24 3knl n ASP 198 N 4.00 0.00 -4.44 3.32 10.43 -0.81 -4.62 116.55 124.43 3knl n ASP 198 Ca -0.19 0.12 -0.44 0.00 2.57 0.00 0.00 54.79 56.86 3knl n ASP 198 Cb 0.52 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.40 3knl n ASP 198 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3knl s TYR 199 N -0.25 3.15 0.64 1.24 1.51 -1.01 -5.01 117.35 117.61 3knl s TYR 199 Ca 0.00 -0.59 -0.06 0.00 -1.01 0.00 0.00 57.07 55.41 3knl s TYR 199 Cb 0.00 -3.20 0.03 0.00 -0.11 0.00 0.00 41.96 38.68 3knl s TYR 199 CO 0.00 -0.84 0.95 0.42 -1.11 0.00 0.00 175.55 174.97 3knl s ILE 200 N 2.17 3.18 -0.41 2.71 1.01 -1.26 -3.09 121.20 125.50 3knl s ILE 200 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3knl s ILE 200 Cb -0.20 -3.30 0.18 0.00 0.01 0.00 0.00 42.46 39.15 3knl s ILE 200 CO 0.11 -0.32 0.37 -0.38 0.00 0.00 0.00 174.94 174.72 3knl n ILE 201 N -2.72 -1.14 -1.57 2.92 2.08 -0.56 -4.46 119.36 113.91 3knl n ILE 201 Ca 0.06 -3.40 -0.33 0.00 0.56 0.00 0.00 62.75 59.64 3knl n ILE 201 Cb 0.58 -1.60 -0.04 0.00 -0.75 0.00 0.00 39.64 37.84 3knl n ILE 201 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3knl s PRO 202 N -0.03 2.02 -0.30 0.38 0.04 -1.26 -3.32 135.00 132.53 3knl s PRO 202 Ca 0.33 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 62.35 3knl s PRO 202 Cb 0.05 -4.61 0.20 0.00 0.04 0.00 0.00 34.50 30.17 3knl s PRO 202 CO -0.19 -3.46 1.41 0.20 0.04 0.00 0.00 177.00 175.01 3knl s GLY 203 N 11.98 0.20 0.08 0.56 0.00 -0.97 -4.78 107.32 114.39 3knl s GLY 203 Ca 0.96 3.10 -0.28 0.00 0.00 0.00 0.00 44.72 48.50 3knl s GLY 203 CO 0.23 1.34 0.66 -2.01 0.00 0.00 0.00 173.10 173.32 3knl n ASN 204 N 0.78 -0.51 -0.00 1.64 5.15 -1.26 -4.36 115.26 116.69 3knl n ASN 204 Ca -0.02 0.94 0.07 0.00 -0.60 0.00 0.00 54.58 54.97 3knl n ASN 204 Cb 0.58 -0.77 -0.09 0.00 -0.53 0.00 0.00 39.78 38.98 3knl n ASN 204 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3knl n ASP 205 N 1.44 0.77 -0.05 1.20 5.75 -1.26 -4.47 116.55 119.93 3knl n ASP 205 Ca 0.16 -0.79 -0.00 0.00 -0.01 0.00 0.00 54.79 54.14 3knl n ASP 205 Cb 0.14 1.06 -0.00 0.00 -1.03 0.00 0.00 41.12 41.28 3knl n ASP 205 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3knl h ASP 206 N 0.00 -0.00 -1.73 -1.12 3.32 -1.95 -3.46 116.42 111.48 3knl h ASP 206 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 3knl h ASP 206 Cb 0.39 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.95 3knl h ASP 206 CO 0.00 0.50 0.98 0.00 -1.72 0.00 0.00 179.24 178.99 3knl n ALA 207 N -2.78 0.21 0.10 3.45 0.00 -1.26 -4.72 120.51 115.51 3knl n ALA 207 Ca -0.00 0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.83 3knl n ALA 207 Cb 0.00 -2.33 0.19 0.00 0.00 0.00 0.00 19.45 17.32 3knl n ALA 207 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3knl n ILE 208 N 4.80 1.62 0.12 0.00 5.41 -1.26 -2.16 119.36 127.88 3knl n ILE 208 Ca 0.25 0.52 -0.05 0.00 1.00 0.00 0.00 62.75 64.47 3knl n ILE 208 Cb 0.19 -1.50 -0.02 0.00 -0.71 0.00 0.00 39.64 37.60 3knl n ILE 208 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3knl h ARG 209 N 0.00 -0.33 -0.63 0.38 2.47 -1.87 -0.18 114.38 114.23 3knl h ARG 209 Ca 0.00 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.87 3knl h ARG 209 Cb 0.04 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 28.33 3knl h ARG 209 CO 0.00 -0.22 0.05 0.77 0.56 0.00 0.00 179.97 181.14 3knl h SER 210 N -0.68 -0.17 -0.52 7.04 0.02 -1.60 1.17 113.55 118.81 3knl h SER 210 Ca -0.03 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3knl h SER 210 Cb 0.26 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3knl h SER 210 CO 0.06 -0.08 0.30 0.40 -1.14 0.00 0.00 176.83 176.37 3knl h ILE 211 N 0.17 1.03 0.49 3.27 2.04 -1.55 0.96 117.51 123.92 3knl h ILE 211 Ca 0.33 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 3knl h ILE 211 Cb 0.53 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3knl h ILE 211 CO -0.49 0.11 -0.24 -0.61 0.00 0.00 0.00 178.15 176.92 3knl h GLN 212 N 0.59 -0.64 -0.30 2.37 -0.00 0.13 0.10 115.11 117.37 3knl h GLN 212 Ca 0.21 0.04 0.04 0.00 -0.00 0.00 0.00 58.65 58.94 3knl h GLN 212 Cb 0.05 0.15 -0.06 0.00 0.00 0.00 0.00 27.48 27.62 3knl h GLN 212 CO -0.11 -0.43 -0.41 1.25 0.00 0.00 0.00 178.83 179.13 3knl h LEU 213 N -0.85 -1.38 -0.82 -2.39 6.46 0.13 0.13 115.31 116.59 3knl h LEU 213 Ca -0.07 0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3knl h LEU 213 Cb 0.51 0.56 -0.04 0.00 -0.73 0.00 0.00 40.66 40.96 3knl h LEU 213 CO 0.11 -0.30 0.55 0.40 -0.62 0.00 0.00 178.44 178.58 3knl h ILE 214 N -0.30 1.21 0.72 4.05 1.08 -0.90 -2.63 117.51 120.74 3knl h ILE 214 Ca 0.05 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.10 3knl h ILE 214 Cb 0.44 -0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.20 3knl h ILE 214 CO -0.44 0.20 -0.35 -0.07 -0.69 0.00 0.00 178.15 176.81 3knl h LEU 215 N 1.12 -0.82 0.00 1.44 3.38 -0.34 -2.91 115.31 117.18 3knl h LEU 215 Ca 0.30 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3knl h LEU 215 Cb -0.13 0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3knl h LEU 215 CO -0.07 -0.53 0.00 -0.24 0.09 0.00 0.00 178.44 177.69 3knl n SER 216 N -4.90 0.00 -0.37 -0.43 2.88 0.43 -0.49 113.62 110.74 3knl n SER 216 Ca -0.12 1.00 -0.09 0.00 -1.33 0.00 0.00 58.87 58.33 3knl n SER 216 Cb 0.38 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 63.28 3knl n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3knl h ARG 217 N 0.00 -0.05 -0.96 -1.46 2.47 -1.60 1.09 114.38 113.87 3knl h ARG 217 Ca 0.00 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.95 3knl h ARG 217 Cb 0.00 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.25 3knl h ARG 217 CO 0.00 -0.03 0.63 0.00 0.56 0.00 0.00 179.97 181.12 3knl h ALA 218 N 0.63 2.17 -0.25 0.04 0.00 -1.15 -0.42 119.26 120.29 3knl h ALA 218 Ca 0.19 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3knl h ALA 218 Cb 0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3knl h ALA 218 CO -0.90 -0.50 -0.32 0.28 0.00 0.00 0.00 179.25 177.81 3knl h VAL 219 N 0.44 1.28 0.10 0.00 2.07 0.39 -3.23 116.25 117.30 3knl h VAL 219 Ca 0.52 -1.41 -0.28 0.00 0.82 0.00 0.00 66.70 66.36 3knl h VAL 219 Cb 1.26 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3knl h VAL 219 CO -0.23 0.45 -1.33 -2.24 0.02 0.00 0.00 177.57 174.24 3knl h ASP 220 N 0.44 0.34 0.00 0.57 2.03 -0.17 -3.08 116.42 116.55 3knl h ASP 220 Ca 0.05 -0.40 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 3knl h ASP 220 Cb 0.77 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 3knl h ASP 220 CO 0.06 1.32 0.00 0.18 -1.03 0.00 0.00 179.24 179.78 3knl n LEU 221 N -3.46 0.00 -0.00 0.15 7.99 -0.64 0.61 117.00 121.64 3knl n LEU 221 Ca -0.10 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 55.99 3knl n LEU 221 Cb 1.02 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 44.20 3knl n LEU 221 CO 0.51 0.00 -0.34 -0.38 -1.51 0.00 0.00 177.39 175.67 3knl n ILE 222 N -0.61 0.00 -0.03 -0.08 5.41 -1.16 -4.29 119.36 118.59 3knl n ILE 222 Ca 0.03 -0.22 -0.02 0.00 1.00 0.00 0.00 62.75 63.54 3knl n ILE 222 Cb 0.01 0.59 -0.06 0.00 -0.71 0.00 0.00 39.64 39.47 3knl n ILE 222 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3knl n ILE 223 N -1.78 0.43 0.99 1.39 -5.35 0.20 -2.71 119.36 112.52 3knl n ILE 223 Ca 0.01 -0.31 0.05 0.00 -0.27 0.00 0.00 62.75 62.23 3knl n ILE 223 Cb 0.40 -0.54 0.32 0.00 -1.74 0.00 0.00 39.64 38.08 3knl n ILE 223 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3knl n GLN 224 N -2.18 0.50 0.00 6.28 7.27 0.77 0.28 117.38 130.29 3knl n GLN 224 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.97 3knl n GLN 224 Cb 0.64 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.95 3knl n GLN 224 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3knl n ALA 225 N -0.84 1.48 0.23 1.69 0.00 -1.26 -4.57 120.51 117.25 3knl n ALA 225 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 3knl n ALA 225 Cb 0.04 0.12 0.46 0.00 0.00 0.00 0.00 19.45 20.07 3knl n ALA 225 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3knl h ARG 226 N 0.00 0.00 -0.22 0.00 9.65 -0.95 -3.35 114.38 119.51 3knl h ARG 226 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3knl h ARG 226 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3knl h ARG 226 CO 0.00 0.18 0.00 0.41 2.80 0.00 0.00 179.97 183.36 3knl n GLY 227 N 0.26 0.42 0.00 2.80 0.00 0.80 -4.98 105.19 104.48 3knl n GLY 227 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3knl n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 228 N 2.54 0.78 3.16 -0.02 0.00 -1.20 -4.90 105.19 105.55 3knl n GLY 228 Ca 0.00 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 3knl n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knl n VAL 229 N 0.00 0.00 -4.01 1.61 0.31 -1.26 -4.81 118.33 110.17 3knl n VAL 229 Ca 0.00 -0.23 -0.11 0.00 -0.01 0.00 0.00 64.34 63.98 3knl n VAL 229 Cb 0.00 -0.29 -0.04 0.00 -0.91 0.00 0.00 33.84 32.60 3knl n VAL 229 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3knl s VAL 230 N -2.14 0.00 0.30 2.52 -7.23 -1.26 -5.08 120.40 107.51 3knl s VAL 230 Ca 0.47 -1.44 0.07 0.00 -1.81 0.00 0.00 61.98 59.26 3knl s VAL 230 Cb -0.08 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 3knl s VAL 230 CO 0.70 0.00 0.28 -1.83 -0.31 0.00 0.00 175.10 173.94 3knl s GLU 231 N -3.37 2.88 0.30 4.82 -1.05 -1.26 -5.05 118.70 115.96 3knl s GLU 231 Ca 0.25 -1.15 -0.19 0.00 -0.15 0.00 0.00 54.97 53.73 3knl s GLU 231 Cb -0.01 -2.57 -0.13 0.00 -0.44 0.00 0.00 34.13 30.98 3knl s GLU 231 CO 0.14 0.22 0.15 -2.30 0.95 0.00 0.00 175.26 174.42 3knl n PRO 232 N -1.34 0.00 -4.50 -4.83 -0.02 -1.26 -4.99 135.00 118.07 3knl n PRO 232 Ca -0.04 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.17 3knl n PRO 232 Cb 0.59 -0.83 -0.13 0.00 -0.02 0.00 0.00 33.50 33.10 3knl n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3knl s SER 233 N -0.83 2.80 -0.13 2.55 0.15 -1.26 -5.01 113.70 111.98 3knl s SER 233 Ca 0.50 -0.64 -0.02 0.00 0.70 0.00 0.00 55.95 56.48 3knl s SER 233 Cb -0.58 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.50 3knl s SER 233 CO 0.51 0.14 0.30 -0.81 1.20 0.00 0.00 173.24 174.58 3knl n PRO 234 N 1.35 0.00 -0.03 5.44 -0.04 -1.26 -4.69 135.00 135.77 3knl n PRO 234 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.24 3knl n PRO 234 Cb 0.53 -0.15 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 3knl n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3knl n SER 235 N 0.95 3.44 -4.12 3.54 3.41 -1.26 -4.74 113.62 114.84 3knl n SER 235 Ca 0.08 -0.01 -0.44 0.00 -0.26 0.00 0.00 58.87 58.25 3knl n SER 235 Cb 0.01 0.55 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 3knl n SER 235 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3knl n TYR 236 N -2.30 3.44 -0.19 7.33 4.02 -1.26 -4.84 117.16 123.36 3knl n TYR 236 Ca -0.11 -3.06 -0.05 0.00 -0.01 0.00 0.00 57.90 54.67 3knl n TYR 236 Cb 0.70 -1.53 -0.05 0.00 -0.02 0.00 0.00 39.34 38.44 3knl n TYR 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3knl n ALA 237 N 2.30 -0.29 -2.03 -0.72 0.00 -1.26 -3.96 120.51 114.56 3knl n ALA 237 Ca 0.28 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 54.08 3knl n ALA 237 Cb 0.36 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 3knl n ALA 237 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3knl n LEU 238 N -4.02 -0.36 -3.84 0.00 -0.00 -1.26 -5.08 117.00 102.44 3knl n LEU 238 Ca 0.01 -1.48 -0.21 0.00 -0.00 0.00 0.00 56.01 54.33 3knl n LEU 238 Cb 0.12 0.00 -0.19 0.00 -0.00 0.00 0.00 43.42 43.35 3knl n LEU 238 CO -0.07 1.13 1.80 0.52 -0.00 0.00 0.00 177.39 180.77 3knl n VAL 239 N 0.03 0.00 0.00 1.47 0.31 -1.25 -4.41 118.33 114.47 3knl n VAL 239 Ca -0.11 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3knl n VAL 239 Cb 0.63 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 3knl n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knl n GLN 240 N 5.09 0.00 0.00 5.55 6.02 -1.26 -5.06 117.38 127.72 3knl n GLN 240 Ca 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 3knl n GLN 240 Cb 0.10 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.36 3knl n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14