#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g n LYS 8 N 0.00 0.08 0.00 5.55 4.76 -1.26 -1.89 118.16 125.40 3f1g n LYS 8 Ca 0.00 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 3f1g n LYS 8 Cb 0.00 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 31.17 3f1g n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3f1g n GLU 9 N -1.92 0.00 0.28 1.97 0.00 -1.26 -3.69 120.64 116.02 3f1g n GLU 9 Ca -0.01 0.12 0.14 0.00 0.00 0.00 0.00 57.16 57.41 3f1g n GLU 9 Cb 0.29 -0.58 0.85 0.00 0.00 0.00 0.00 31.44 32.00 3f1g n GLU 9 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3f1g h LEU 10 N 0.00 0.00 0.45 4.31 3.38 -1.95 0.12 115.31 121.62 3f1g h LEU 10 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3f1g h LEU 10 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3f1g h LEU 10 CO 0.00 0.00 -0.27 -0.07 0.09 0.00 0.00 178.44 178.19 3f1g h LEU 11 N 0.00 -0.67 -0.66 1.67 3.38 -1.57 0.11 115.31 117.57 3f1g h LEU 11 Ca 0.01 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3f1g h LEU 11 Cb 0.03 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3f1g h LEU 11 CO -0.00 -0.42 0.41 -0.08 0.09 0.00 0.00 178.44 178.44 3f1g h GLU 12 N -0.67 0.77 -0.87 1.13 4.22 -1.55 -0.05 114.58 117.56 3f1g h GLU 12 Ca -0.06 -0.05 0.25 0.00 0.08 0.00 0.00 59.36 59.59 3f1g h GLU 12 Cb 0.53 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3f1g h GLU 12 CO 0.07 0.51 0.72 0.00 -2.18 0.00 0.00 179.01 178.13 3f1g h ALA 13 N 1.29 2.75 -3.00 2.92 0.00 -0.60 -3.28 119.26 119.34 3f1g h ALA 13 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3f1g h ALA 13 Cb 0.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3f1g h ALA 13 CO -0.11 -1.17 0.00 0.41 0.00 0.00 0.00 179.25 178.38 3f1g n GLY 14 N -1.67 -2.03 2.55 0.00 0.00 0.36 -4.73 105.19 99.67 3f1g n GLY 14 Ca 0.18 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3f1g n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3f1g n VAL 15 N 0.00 4.39 -1.94 1.61 0.24 -1.26 -4.10 118.33 117.26 3f1g n VAL 15 Ca 0.00 -3.50 0.00 0.00 -2.04 0.00 0.00 64.34 58.80 3f1g n VAL 15 Cb 0.00 -2.42 0.00 0.00 -1.47 0.00 0.00 33.84 29.95 3f1g n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3f1g n HIS 16 N 3.68 0.00 -3.96 6.34 -0.00 -1.24 -4.37 115.22 115.68 3f1g n HIS 16 Ca 0.61 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 58.07 3f1g n HIS 16 Cb 0.29 0.10 -0.03 0.00 -0.00 0.00 0.00 29.99 30.36 3f1g n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3f1g s PHE 17 N 0.00 3.46 0.49 4.41 -0.00 -1.26 -3.55 117.98 121.54 3f1g s PHE 17 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 56.93 57.02 3f1g s PHE 17 Cb 0.00 -1.65 0.00 0.00 -0.00 0.00 0.00 43.02 41.37 3f1g s PHE 17 CO 0.00 0.51 0.00 0.41 -0.00 0.00 0.00 175.22 176.14 3f1g n GLY 18 N -0.63 -2.80 3.63 1.99 0.00 -1.26 -4.75 105.19 101.36 3f1g n GLY 18 Ca -0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 3f1g n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3f1g s HIS 19 N -4.71 -0.04 0.31 1.61 2.46 -0.40 -4.39 115.29 110.13 3f1g s HIS 19 Ca 0.00 0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.55 3f1g s HIS 19 Cb 0.00 0.51 0.00 0.00 -0.13 0.00 0.00 32.58 32.96 3f1g s HIS 19 CO 0.00 -0.07 0.00 0.39 -2.47 0.00 0.00 174.74 172.59 3f1g n GLU 20 N -0.06 -2.26 -3.55 2.88 -0.58 -1.26 -3.75 120.64 112.05 3f1g n GLU 20 Ca 0.03 1.61 -0.01 0.00 -0.42 0.00 0.00 57.16 58.37 3f1g n GLU 20 Cb 0.57 -2.72 -0.05 0.00 -0.57 0.00 0.00 31.44 28.67 3f1g n GLU 20 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3f1g s ARG 21 N -2.50 0.42 -1.28 3.49 1.70 -1.26 -1.18 118.95 118.33 3f1g s ARG 21 Ca 0.00 0.90 -0.04 0.00 -0.47 0.00 0.00 55.73 56.12 3f1g s ARG 21 Cb 0.00 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 3f1g s ARG 21 CO 0.00 -0.12 0.49 1.63 -1.08 0.00 0.00 175.30 176.22 3f1g n LYS 22 N 4.60 -3.98 -3.29 3.89 4.76 -1.26 -4.96 118.16 117.93 3f1g n LYS 22 Ca -0.14 0.75 -0.15 0.00 -2.87 0.00 0.00 58.31 55.91 3f1g n LYS 22 Cb 0.54 -5.27 -0.06 0.00 -1.84 0.00 0.00 35.03 28.40 3f1g n LYS 22 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3f1g s ARG 23 N -5.47 0.74 -0.27 1.97 0.52 -1.26 -5.14 118.95 110.03 3f1g s ARG 23 Ca 0.24 -0.96 -0.25 0.00 -0.52 0.00 0.00 55.73 54.25 3f1g s ARG 23 Cb -0.11 -0.63 0.09 0.00 0.52 0.00 0.00 34.95 34.82 3f1g s ARG 23 CO 0.30 -1.23 0.82 1.67 0.02 0.00 0.00 175.30 176.88 3f1g s TRP 24 N 1.26 -0.70 -0.10 -0.53 1.48 -1.26 -3.44 118.94 115.65 3f1g s TRP 24 Ca 0.20 1.69 -0.30 0.00 -1.06 0.00 0.00 56.10 56.63 3f1g s TRP 24 Cb -0.11 0.31 -0.02 0.00 -1.16 0.00 0.00 33.47 32.50 3f1g s TRP 24 CO -0.05 -0.34 1.09 -0.80 -4.06 0.00 0.00 176.95 172.80 3f1g s ASN 25 N 0.38 7.15 0.65 -2.66 0.01 -1.18 -4.90 114.94 114.39 3f1g s ASN 25 Ca 0.01 1.63 0.23 0.00 -0.71 0.00 0.00 52.86 54.02 3f1g s ASN 25 Cb -0.05 -2.55 1.25 0.00 0.41 0.00 0.00 41.25 40.30 3f1g s ASN 25 CO -0.02 -0.53 1.70 1.55 -1.51 0.00 0.00 177.10 178.29 3f1g h PRO 26 N 7.31 0.00 -0.35 -0.60 0.13 -1.92 0.18 132.00 136.75 3f1g h PRO 26 Ca -0.31 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.67 3f1g h PRO 26 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3f1g h PRO 26 CO 0.88 0.00 -0.37 1.57 -0.23 0.00 0.00 178.00 179.85 3f1g h LYS 27 N 0.00 0.87 0.00 0.86 2.10 -1.91 -2.48 116.57 116.01 3f1g h LYS 27 Ca 0.04 -0.47 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 3f1g h LYS 27 Cb 1.09 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3f1g h LYS 27 CO -0.00 1.11 0.00 0.34 -2.00 0.00 0.00 179.45 178.90 3f1g n PHE 28 N -4.12 0.08 0.24 0.07 -0.00 0.62 -2.95 117.46 111.40 3f1g n PHE 28 Ca -0.03 0.04 0.09 0.00 -0.00 0.00 0.00 57.45 57.55 3f1g n PHE 28 Cb 0.53 -0.56 0.61 0.00 -0.00 0.00 0.00 39.48 40.06 3f1g n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3f1g h ALA 29 N 2.31 1.42 0.00 3.13 0.00 -1.40 -1.33 119.26 123.38 3f1g h ALA 29 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3f1g h ALA 29 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3f1g h ALA 29 CO 0.00 0.21 0.00 2.89 0.00 0.00 0.00 179.25 182.35 3f1g n ARG 30 N -3.90 0.01 -0.01 0.00 1.85 -1.15 -1.37 116.66 112.08 3f1g n ARG 30 Ca -0.02 0.41 0.08 0.00 -1.00 0.00 0.00 57.85 57.33 3f1g n ARG 30 Cb 0.26 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.03 3f1g n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3f1g n TYR 31 N -1.43 0.00 -2.54 2.89 0.53 -0.50 -4.98 117.16 111.13 3f1g n TYR 31 Ca 0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.48 3f1g n TYR 31 Cb 0.02 -0.43 -0.04 0.00 -1.03 0.00 0.00 39.34 37.86 3f1g n TYR 31 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3f1g s ILE 32 N -3.23 3.93 -0.16 -0.72 1.09 -0.47 -0.12 121.20 121.52 3f1g s ILE 32 Ca -0.07 1.67 -0.26 0.00 -1.10 0.00 0.00 60.65 60.89 3f1g s ILE 32 Cb 0.11 -4.06 -0.24 0.00 -1.06 0.00 0.00 42.46 37.21 3f1g s ILE 32 CO 0.75 0.29 0.58 0.22 -0.10 0.00 0.00 174.94 176.67 3f1g h TYR 33 N 5.12 0.04 -2.09 3.97 3.20 0.53 -3.43 116.97 124.32 3f1g h TYR 33 Ca -0.44 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3f1g h TYR 33 Cb 1.21 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 3f1g h TYR 33 CO 0.63 1.21 0.05 0.00 -1.64 0.00 0.00 178.16 178.41 3f1g n ALA 34 N -2.90 -0.32 -3.39 1.82 0.00 -0.86 -5.00 120.51 109.86 3f1g n ALA 34 Ca -0.18 -0.20 -0.26 0.00 0.00 0.00 0.00 53.44 52.79 3f1g n ALA 34 Cb 0.58 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 3f1g n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3f1g n GLU 35 N -0.09 0.51 -3.28 0.00 2.13 -1.26 0.12 120.64 118.77 3f1g n GLU 35 Ca -0.01 -3.34 -0.29 0.00 0.66 0.00 0.00 57.16 54.17 3f1g n GLU 35 Cb 0.10 -1.64 -0.03 0.00 0.27 0.00 0.00 31.44 30.13 3f1g n GLU 35 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3f1g s ARG 36 N -0.43 3.68 -0.21 5.31 3.00 -1.09 -4.02 118.95 125.20 3f1g s ARG 36 Ca 0.33 0.12 0.00 0.00 0.00 0.00 0.00 55.73 56.18 3f1g s ARG 36 Cb 0.07 -2.61 0.00 0.00 0.00 0.00 0.00 34.95 32.41 3f1g s ARG 36 CO -0.17 0.19 0.00 0.09 0.00 0.00 0.00 175.30 175.41 3f1g n ASN 37 N -0.87 -5.65 0.00 0.23 5.03 -1.26 -0.65 115.26 112.09 3f1g n ASN 37 Ca -0.01 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.49 3f1g n ASN 37 Cb 0.54 -3.47 0.00 0.00 -1.02 0.00 0.00 39.78 35.82 3f1g n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3f1g n GLY 38 N 0.82 2.17 3.88 7.41 0.00 -1.26 -5.03 105.19 113.19 3f1g n GLY 38 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3f1g n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f1g s ILE 39 N -2.82 5.32 -0.02 -0.61 1.09 0.17 -4.68 121.20 119.65 3f1g s ILE 39 Ca 0.00 0.19 -0.30 0.00 -1.10 0.00 0.00 60.65 59.44 3f1g s ILE 39 Cb 0.00 -3.55 -0.06 0.00 -1.06 0.00 0.00 42.46 37.78 3f1g s ILE 39 CO 0.00 0.40 1.65 -1.00 -0.10 0.00 0.00 174.94 175.89 3f1g s HIS 40 N -1.26 2.09 -0.68 3.97 3.76 -0.33 -2.66 115.29 120.19 3f1g s HIS 40 Ca 0.26 0.23 -0.19 0.00 -0.15 0.00 0.00 55.06 55.21 3f1g s HIS 40 Cb -0.13 -3.92 0.12 0.00 1.11 0.00 0.00 32.58 29.75 3f1g s HIS 40 CO 0.15 -3.83 0.81 0.42 -0.85 0.00 0.00 174.74 171.44 3f1g s ILE 41 N 3.67 4.82 0.47 0.60 1.01 0.32 -1.27 121.20 130.82 3f1g s ILE 41 Ca 0.73 -1.16 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 3f1g s ILE 41 Cb -0.35 -4.56 -0.07 0.00 0.01 0.00 0.00 42.46 37.49 3f1g s ILE 41 CO 0.30 -1.22 1.31 -0.51 0.00 0.00 0.00 174.94 174.82 3f1g s ILE 42 N 2.61 2.48 -0.20 2.92 1.10 -1.26 0.11 121.20 128.96 3f1g s ILE 42 Ca 0.17 0.39 -0.29 0.00 -0.51 0.00 0.00 60.65 60.41 3f1g s ILE 42 Cb -0.19 -3.21 -0.04 0.00 0.15 0.00 0.00 42.46 39.17 3f1g s ILE 42 CO 0.03 0.02 1.75 -0.62 -2.11 0.00 0.00 174.94 174.02 3f1g s ASP 43 N -0.92 6.22 0.09 4.50 2.15 0.82 -4.45 116.67 125.09 3f1g s ASP 43 Ca 0.64 1.76 -0.34 0.00 0.43 0.00 0.00 52.55 55.04 3f1g s ASP 43 Cb -0.37 -2.53 -0.15 0.00 -0.30 0.00 0.00 42.92 39.56 3f1g s ASP 43 CO 0.46 -1.36 1.58 -0.07 -0.17 0.00 0.00 175.17 175.61 3f1g h LEU 44 N 12.18 -1.22 -0.17 -1.34 3.38 -1.90 -2.76 115.31 123.48 3f1g h LEU 44 Ca -0.37 0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3f1g h LEU 44 Cb 1.18 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 42.30 3f1g h LEU 44 CO 0.99 -0.61 0.01 1.56 0.09 0.00 0.00 178.44 180.48 3f1g h GLN 45 N -0.91 0.07 -0.67 1.13 4.20 -1.98 -1.57 115.11 115.38 3f1g h GLN 45 Ca -0.05 -0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.85 3f1g h GLN 45 Cb 0.80 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 3f1g h GLN 45 CO -0.06 0.04 0.48 -0.22 -0.67 0.00 0.00 178.83 178.41 3f1g h LYS 46 N 0.07 0.01 0.11 1.46 1.63 -1.91 -0.37 116.57 117.56 3f1g h LYS 46 Ca 0.08 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3f1g h LYS 46 Cb 0.09 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3f1g h LYS 46 CO -0.13 0.01 -0.05 1.15 -3.45 0.00 0.00 179.45 176.98 3f1g h THR 47 N 0.01 1.07 -0.10 1.00 2.02 -0.98 -2.82 112.91 113.11 3f1g h THR 47 Ca 0.32 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.79 3f1g h THR 47 Cb 1.27 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 69.18 3f1g h THR 47 CO -0.01 0.18 -0.16 -0.03 0.37 0.00 0.00 175.52 175.87 3f1g h MET 48 N -0.50 -0.21 -1.11 6.66 1.85 -0.98 -1.66 114.93 118.98 3f1g h MET 48 Ca -0.01 0.01 0.31 0.00 -0.61 0.00 0.00 59.70 59.40 3f1g h MET 48 Cb 0.41 0.05 -0.08 0.00 0.43 0.00 0.00 31.60 32.40 3f1g h MET 48 CO 0.02 -0.14 0.75 0.93 -0.40 0.00 0.00 176.91 178.07 3f1g h GLU 49 N -0.22 0.22 0.00 0.39 5.08 -1.23 -1.81 114.58 117.01 3f1g h GLU 49 Ca 0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3f1g h GLU 49 Cb 0.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3f1g h GLU 49 CO -0.23 0.15 -0.00 0.93 -1.00 0.00 0.00 179.01 178.86 3f1g h GLU 50 N 0.23 -0.00 -0.43 2.33 4.39 -1.07 -3.24 114.58 116.79 3f1g h GLU 50 Ca 0.60 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.43 3f1g h GLU 50 Cb 1.86 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.49 3f1g h GLU 50 CO -0.21 0.89 0.62 -0.07 -1.16 0.00 0.00 179.01 179.08 3f1g h LEU 51 N -0.94 0.00 0.61 1.33 3.38 -0.55 0.79 115.31 119.94 3f1g h LEU 51 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3f1g h LEU 51 Cb 0.89 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.65 3f1g h LEU 51 CO 0.00 0.00 -0.29 -0.08 0.09 0.00 0.00 178.44 178.16 3f1g h GLU 52 N 0.00 -0.79 -0.76 1.13 4.81 -1.48 0.90 114.58 118.39 3f1g h GLU 52 Ca 0.21 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 3f1g h GLU 52 Cb 1.44 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.95 3f1g h GLU 52 CO -0.00 -0.53 0.46 -0.09 -0.73 0.00 0.00 179.01 178.12 3f1g h ARG 53 N -0.94 0.83 0.27 1.92 2.43 -1.29 -1.12 114.38 116.49 3f1g h ARG 53 Ca -0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3f1g h ARG 53 Cb 0.63 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3f1g h ARG 53 CO 0.14 0.55 -0.17 1.15 -1.51 0.00 0.00 179.97 180.12 3f1g h THR 54 N 0.86 0.00 -0.46 0.20 2.02 -0.81 -2.51 112.91 112.21 3f1g h THR 54 Ca 0.33 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.64 3f1g h THR 54 Cb 0.14 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3f1g h THR 54 CO -0.16 0.00 0.35 -0.26 0.37 0.00 0.00 175.52 175.82 3f1g h PHE 55 N -0.42 0.00 -0.41 3.16 0.04 0.91 0.82 116.94 121.05 3f1g h PHE 55 Ca -0.04 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 3f1g h PHE 55 Cb 0.34 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3f1g h PHE 55 CO 0.02 0.00 0.10 0.00 -0.60 0.00 0.00 178.31 177.83 3f1g h ARG 56 N 0.00 0.60 0.24 1.51 3.08 -1.04 0.90 114.38 119.68 3f1g h ARG 56 Ca 0.22 -0.10 -0.34 0.00 0.07 0.00 0.00 59.98 59.82 3f1g h ARG 56 Cb 0.91 -0.10 0.03 0.00 0.08 0.00 0.00 29.97 30.89 3f1g h ARG 56 CO -0.00 0.55 -1.53 0.35 -1.07 0.00 0.00 179.97 178.26 3f1g h PHE 57 N 0.59 0.93 -0.12 3.04 3.57 0.84 -1.22 116.94 124.58 3f1g h PHE 57 Ca 0.14 -0.68 0.05 0.00 3.53 0.00 0.00 57.97 61.00 3f1g h PHE 57 Cb 0.22 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 3f1g h PHE 57 CO 0.01 1.58 -0.33 0.82 -2.23 0.00 0.00 178.31 178.16 3f1g h ILE 58 N 0.14 0.27 0.23 1.41 1.08 0.16 0.26 117.51 121.05 3f1g h ILE 58 Ca -0.27 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3f1g h ILE 58 Cb 2.16 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 3f1g h ILE 58 CO 0.26 0.00 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.44 3f1g h GLU 59 N -0.41 -0.40 -0.98 2.37 4.81 0.76 -2.03 114.58 118.69 3f1g h GLU 59 Ca 0.09 0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.59 3f1g h GLU 59 Cb 0.56 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 29.90 3f1g h GLU 59 CO -0.35 -0.27 0.55 0.22 -0.73 0.00 0.00 179.01 178.43 3f1g h ASP 60 N -0.42 0.60 0.00 1.04 -0.00 -1.17 0.11 116.42 116.58 3f1g h ASP 60 Ca -0.03 0.14 -0.05 0.00 -0.00 0.00 0.00 57.03 57.10 3f1g h ASP 60 Cb 0.35 0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.73 3f1g h ASP 60 CO -0.01 0.07 -0.12 0.25 -0.00 0.00 0.00 179.24 179.43 3f1g h LEU 61 N 0.53 0.24 0.19 2.28 5.85 -0.16 -2.18 115.31 122.05 3f1g h LEU 61 Ca 0.64 -0.05 -0.27 0.00 0.84 0.00 0.00 57.88 59.04 3f1g h LEU 61 Cb 1.23 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 42.22 3f1g h LEU 61 CO -0.50 0.39 -1.24 0.00 -0.34 0.00 0.00 178.44 176.75 3f1g h ALA 62 N 1.64 -0.06 0.00 1.25 0.00 -0.11 -1.93 119.26 120.06 3f1g h ALA 62 Ca 0.05 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 3f1g h ALA 62 Cb 0.37 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3f1g h ALA 62 CO 0.02 0.62 -0.00 0.52 0.00 0.00 0.00 179.25 180.41 3f1g h MET 63 N -0.12 0.00 0.00 0.00 2.86 -1.08 1.52 114.93 118.11 3f1g h MET 63 Ca -0.23 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 3f1g h MET 63 Cb 1.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.56 3f1g h MET 63 CO 0.19 0.00 -0.17 0.00 1.06 0.00 0.00 176.91 177.99 3f1g h ARG 64 N 0.00 0.00 0.00 1.72 2.47 -1.46 -3.47 114.38 113.64 3f1g h ARG 64 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3f1g h ARG 64 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3f1g h ARG 64 CO 0.00 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.11 3f1g n GLY 65 N 0.47 0.74 3.77 0.04 0.00 0.52 -5.04 105.19 105.69 3f1g n GLY 65 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3f1g n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1g s GLY 66 N -1.88 2.98 -0.21 -0.02 0.00 -0.73 -4.98 107.32 102.48 3f1g s GLY 66 Ca 0.00 1.28 -0.23 0.00 0.00 0.00 0.00 44.72 45.77 3f1g s GLY 66 CO 0.00 1.94 0.74 -0.51 0.00 0.00 0.00 173.10 175.28 3f1g s THR 67 N -1.11 4.93 -0.08 0.90 -4.23 -1.26 -4.60 115.64 110.19 3f1g s THR 67 Ca 0.49 1.41 -0.14 0.00 -1.18 0.00 0.00 61.69 62.27 3f1g s THR 67 Cb -0.40 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.34 3f1g s THR 67 CO 0.53 0.02 0.36 -0.63 -0.54 0.00 0.00 174.62 174.37 3f1g s ILE 68 N 2.32 5.18 -0.32 2.99 1.01 -1.26 -1.21 121.20 129.92 3f1g s ILE 68 Ca 0.33 0.72 -0.13 0.00 0.00 0.00 0.00 60.65 61.57 3f1g s ILE 68 Cb -0.16 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3f1g s ILE 68 CO 0.10 0.48 0.24 -0.22 0.00 0.00 0.00 174.94 175.54 3f1g s LEU 69 N -0.32 4.31 0.14 2.97 1.98 -0.70 -3.24 118.68 123.81 3f1g s LEU 69 Ca 0.21 -0.22 -0.12 0.00 -2.89 0.00 0.00 54.13 51.11 3f1g s LEU 69 Cb -0.15 -2.17 -0.07 0.00 0.66 0.00 0.00 46.19 44.47 3f1g s LEU 69 CO 0.09 -0.18 0.50 -0.36 -1.89 0.00 0.00 176.35 174.51 3f1g s PHE 70 N 1.79 3.57 -0.12 5.38 0.40 0.21 0.10 117.98 129.31 3f1g s PHE 70 Ca 0.07 0.94 -0.05 0.00 -0.60 0.00 0.00 56.93 57.29 3f1g s PHE 70 Cb -0.17 -2.28 0.06 0.00 0.51 0.00 0.00 43.02 41.14 3f1g s PHE 70 CO 0.11 0.44 0.25 0.14 0.70 0.00 0.00 175.22 176.85 3f1g s VAL 71 N -1.50 -0.31 -0.43 -0.44 -7.23 0.86 -0.07 120.40 111.28 3f1g s VAL 71 Ca 0.38 0.26 0.07 0.00 -1.81 0.00 0.00 61.98 60.87 3f1g s VAL 71 Cb -0.14 -0.41 0.18 0.00 0.56 0.00 0.00 36.38 36.56 3f1g s VAL 71 CO 0.19 0.11 0.62 -0.83 -0.31 0.00 0.00 175.10 174.88 3f1g s GLY 72 N 2.13 -1.08 0.27 2.32 0.00 -0.54 -1.35 107.32 109.07 3f1g s GLY 72 Ca -0.01 -0.14 0.25 0.00 0.00 0.00 0.00 44.72 44.82 3f1g s GLY 72 CO -0.08 3.53 1.72 -0.91 0.00 0.00 0.00 173.10 177.36 3f1g h THR 73 N 4.99 0.00 -3.57 0.90 1.35 -1.72 -3.37 112.91 111.49 3f1g h THR 73 Ca 0.06 -0.62 -0.53 0.00 -0.55 0.00 0.00 66.41 64.77 3f1g h THR 73 Cb 1.14 1.61 0.07 0.00 -1.73 0.00 0.00 68.15 69.25 3f1g h THR 73 CO 0.09 0.00 0.77 -0.75 -0.25 0.00 0.00 175.52 175.38 3f1g s LYS 74 N -3.13 4.23 0.21 4.72 2.20 -1.26 -4.83 119.74 121.87 3f1g s LYS 74 Ca 0.10 2.39 -0.10 0.00 -0.36 0.00 0.00 55.97 58.00 3f1g s LYS 74 Cb 0.10 -3.06 0.21 0.00 -1.51 0.00 0.00 37.83 33.57 3f1g s LYS 74 CO 0.62 -0.44 1.83 -0.22 -0.36 0.00 0.00 175.35 176.78 3f1g h LYS 75 N 4.30 0.76 -0.06 4.03 3.11 -1.93 -1.30 116.57 125.47 3f1g h LYS 75 Ca -0.48 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 3f1g h LYS 75 Cb 1.22 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 3f1g h LYS 75 CO 0.73 0.50 0.00 1.04 -2.81 0.00 0.00 179.45 178.92 3f1g n GLN 76 N -4.72 0.34 0.00 1.90 3.00 -1.26 -1.84 117.38 114.81 3f1g n GLN 76 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3f1g n GLN 76 Cb 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 30.24 29.33 3f1g n GLN 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3f1g n ALA 77 N -0.35 0.11 -0.13 -1.58 0.00 -0.86 -4.37 120.51 113.33 3f1g n ALA 77 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 3f1g n ALA 77 Cb 0.02 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 3f1g n ALA 77 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3f1g h GLN 78 N 0.00 0.03 0.00 0.00 4.20 -0.49 -1.74 115.11 117.11 3f1g h GLN 78 Ca 0.00 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 3f1g h GLN 78 Cb 0.56 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 3f1g h GLN 78 CO 0.00 0.02 -1.17 -0.44 -0.67 0.00 0.00 178.83 176.57 3f1g h ASP 79 N 0.03 0.00 0.50 1.46 3.32 -1.89 -3.24 116.42 116.60 3f1g h ASP 79 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3f1g h ASP 79 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3f1g h ASP 79 CO -0.42 0.65 0.00 0.40 -1.72 0.00 0.00 179.24 178.15 3f1g h ILE 80 N 0.00 0.00 0.00 0.35 2.04 -1.71 -1.23 117.51 116.95 3f1g h ILE 80 Ca -0.12 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3f1g h ILE 80 Cb 1.60 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3f1g h ILE 80 CO 0.06 0.00 -0.35 0.58 0.00 0.00 0.00 178.15 178.44 3f1g h VAL 81 N 0.00 0.65 -0.90 1.67 2.07 -1.43 -3.34 116.25 114.97 3f1g h VAL 81 Ca 0.00 -1.58 0.08 0.00 0.82 0.00 0.00 66.70 66.02 3f1g h VAL 81 Cb 0.25 1.32 -0.11 0.00 -1.52 0.00 0.00 31.29 31.23 3f1g h VAL 81 CO 0.00 0.22 -0.53 -1.14 0.02 0.00 0.00 177.57 176.14 3f1g n ARG 82 N -4.63 -0.40 0.10 1.57 0.63 -0.72 -1.19 116.66 112.02 3f1g n ARG 82 Ca -0.10 1.45 -0.12 0.00 -0.92 0.00 0.00 57.85 58.16 3f1g n ARG 82 Cb 0.31 -2.14 -0.05 0.00 0.45 0.00 0.00 32.46 31.03 3f1g n ARG 82 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 3f1g h MET 83 N 0.00 -0.37 0.00 -0.14 2.86 -1.48 -2.08 114.93 113.72 3f1g h MET 83 Ca 0.14 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3f1g h MET 83 Cb 0.37 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3f1g h MET 83 CO -0.84 -0.25 -0.31 0.93 1.06 0.00 0.00 176.91 177.50 3f1g h GLU 84 N -0.39 0.00 0.18 1.72 4.39 -1.41 -0.62 114.58 118.45 3f1g h GLU 84 Ca 0.03 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.47 3f1g h GLU 84 Cb 0.41 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3f1g h GLU 84 CO -0.13 0.31 -1.17 0.00 -1.16 0.00 0.00 179.01 176.86 3f1g h ALA 85 N 1.69 -0.06 -0.34 3.43 0.00 -0.99 -3.22 119.26 119.78 3f1g h ALA 85 Ca -0.00 -0.83 0.01 0.00 0.00 0.00 0.00 54.91 54.08 3f1g h ALA 85 Cb 0.62 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3f1g h ALA 85 CO 0.04 0.58 0.22 0.93 0.00 0.00 0.00 179.25 181.02 3f1g h GLU 86 N -0.17 0.43 -1.07 0.00 5.08 -1.26 -1.35 114.58 116.24 3f1g h GLU 86 Ca -0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3f1g h GLU 86 Cb 1.86 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.01 3f1g h GLU 86 CO 0.18 0.28 0.00 -2.13 -1.00 0.00 0.00 179.01 176.34 3f1g n ARG 87 N -4.87 0.66 0.00 2.33 0.00 -0.25 -2.01 116.66 112.52 3f1g n ARG 87 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3f1g n ARG 87 Cb 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.26 3f1g n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3f1g n ALA 88 N 0.47 0.05 -0.97 5.13 0.00 -0.62 -4.98 120.51 119.59 3f1g n ALA 88 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3f1g n ALA 88 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3f1g n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1g n GLY 89 N 0.00 0.18 3.92 0.00 0.00 -0.61 -4.97 105.19 103.70 3f1g n GLY 89 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3f1g n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3f1g s MET 90 N -1.29 3.56 0.53 1.61 -1.94 -0.64 -5.02 119.30 116.11 3f1g s MET 90 Ca 0.00 -0.18 -0.18 0.00 -1.71 0.00 0.00 55.69 53.62 3f1g s MET 90 Cb 0.00 -2.71 -0.07 0.00 2.01 0.00 0.00 34.83 34.06 3f1g s MET 90 CO 0.00 0.26 1.03 -2.14 -0.01 0.00 0.00 175.02 174.16 3f1g s PRO 91 N -3.65 3.69 0.12 2.03 0.02 -1.20 -4.33 135.00 131.67 3f1g s PRO 91 Ca 0.41 1.21 -0.24 0.00 0.02 0.00 0.00 61.00 62.40 3f1g s PRO 91 Cb -0.11 -2.09 0.07 0.00 0.02 0.00 0.00 34.50 32.40 3f1g s PRO 91 CO 0.31 -0.51 0.61 1.52 -0.33 0.00 0.00 177.00 178.60 3f1g s TYR 92 N -2.29 -0.55 -0.23 6.54 -0.85 0.27 -0.62 117.35 119.62 3f1g s TYR 92 Ca 0.64 0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 57.62 3f1g s TYR 92 Cb -0.14 0.52 0.10 0.00 0.38 0.00 0.00 41.96 42.81 3f1g s TYR 92 CO 0.28 -0.80 0.19 0.08 -1.52 0.00 0.00 175.55 173.77 3f1g s VAL 93 N -3.27 -0.24 -0.42 -3.49 1.01 0.90 -2.98 120.40 111.91 3f1g s VAL 93 Ca -0.01 -0.33 0.21 0.00 0.00 0.00 0.00 61.98 61.85 3f1g s VAL 93 Cb -0.01 -0.78 -0.29 0.00 0.00 0.00 0.00 36.38 35.30 3f1g s VAL 93 CO -0.09 -0.38 0.65 -0.46 0.00 0.00 0.00 175.10 174.82 3f1g n ASN 94 N 5.29 0.42 -2.97 3.32 0.23 -1.26 -1.46 115.26 118.83 3f1g n ASN 94 Ca -0.05 -0.40 0.00 0.00 -0.53 0.00 0.00 54.58 53.59 3f1g n ASN 94 Cb 0.47 1.59 0.00 0.00 -2.08 0.00 0.00 39.78 39.76 3f1g n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3f1g n GLN 95 N -1.95 0.67 -2.58 -3.83 1.13 -1.26 -3.90 117.38 105.67 3f1g n GLN 95 Ca -0.01 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.64 3f1g n GLN 95 Cb 0.47 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.78 3f1g n GLN 95 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3f1g s ARG 96 N -0.71 4.57 1.05 -1.09 3.00 -1.26 -4.40 118.95 120.12 3f1g s ARG 96 Ca 0.00 1.62 -0.13 0.00 0.00 0.00 0.00 55.73 57.21 3f1g s ARG 96 Cb 0.00 -3.35 0.22 0.00 0.00 0.00 0.00 34.95 31.82 3f1g s ARG 96 CO 0.00 0.01 1.09 -0.46 0.00 0.00 0.00 175.30 175.93 3f1g s TRP 97 N 0.34 1.82 0.00 -0.53 -0.00 -1.26 -5.05 118.94 114.26 3f1g s TRP 97 Ca 0.51 0.93 0.00 0.00 -0.00 0.00 0.00 56.10 57.54 3f1g s TRP 97 Cb -0.27 -3.27 -0.00 0.00 -0.00 0.00 0.00 33.47 29.93 3f1g s TRP 97 CO 0.31 -3.17 -0.01 -0.51 -0.00 0.00 0.00 176.95 173.57 3f1g s LEU 98 N -6.63 2.04 -0.27 5.86 1.43 -1.26 -5.09 118.68 114.77 3f1g s LEU 98 Ca 0.66 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 3f1g s LEU 98 Cb -0.18 -0.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.99 3f1g s LEU 98 CO 0.58 -0.05 2.14 -0.83 0.23 0.00 0.00 176.35 178.43 3f1g s GLY 99 N -0.26 0.49 0.00 -3.19 0.00 -1.26 -1.89 107.32 101.21 3f1g s GLY 99 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.29 3f1g s GLY 99 CO -0.00 3.72 0.00 0.61 0.00 0.00 0.00 173.10 177.43 3f1g n GLY 100 N 5.72 0.97 0.26 0.20 0.00 -1.26 -4.70 105.19 106.37 3f1g n GLY 100 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 3f1g n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3f1g n MET 101 N -1.84 -0.21 -0.12 1.61 0.00 -0.79 -0.08 117.12 115.68 3f1g n MET 101 Ca 0.00 1.00 -0.18 0.00 0.00 0.00 0.00 57.70 58.51 3f1g n MET 101 Cb 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 33.22 31.63 3f1g n MET 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3f1g n LEU 102 N -4.90 2.83 0.16 4.03 4.32 -1.26 -4.26 117.00 117.92 3f1g n LEU 102 Ca 0.05 -0.07 -0.14 0.00 -0.02 0.00 0.00 56.01 55.82 3f1g n LEU 102 Cb 0.22 -0.84 -0.08 0.00 -1.62 0.00 0.00 43.42 41.10 3f1g n LEU 102 CO -0.10 0.87 0.75 0.74 -1.22 0.00 0.00 177.39 178.43 3f1g h THR 103 N -0.12 0.76 -2.36 -5.08 2.02 -1.70 -2.81 112.91 103.63 3f1g h THR 103 Ca -0.56 -0.13 -0.76 0.00 0.77 0.00 0.00 66.41 65.73 3f1g h THR 103 Cb 1.81 0.83 -0.31 0.00 -1.74 0.00 0.00 68.15 68.74 3f1g h THR 103 CO -0.13 0.03 0.60 -3.20 0.37 0.00 0.00 175.52 173.19 3f1g n ASN 104 N -5.22 6.50 0.12 4.18 2.85 0.89 -4.90 115.26 119.68 3f1g n ASN 104 Ca -0.10 -3.64 -0.05 0.00 -0.11 0.00 0.00 54.58 50.69 3f1g n ASN 104 Cb 0.18 -1.04 -0.02 0.00 1.24 0.00 0.00 39.78 40.14 3f1g n ASN 104 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3f1g h PHE 105 N 4.16 -0.28 -0.98 1.20 3.57 -1.18 -2.82 116.94 120.62 3f1g h PHE 105 Ca 0.39 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 62.19 3f1g h PHE 105 Cb 0.42 0.09 -0.18 0.00 2.79 0.00 0.00 35.95 39.07 3f1g h PHE 105 CO 1.16 -0.17 0.20 -0.22 -2.23 0.00 0.00 178.31 177.05 3f1g h LYS 106 N -0.30 0.04 -0.14 1.11 3.64 -1.89 0.13 116.57 119.16 3f1g h LYS 106 Ca -0.03 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3f1g h LYS 106 Cb 0.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3f1g h LYS 106 CO 0.05 0.03 -0.44 1.15 -2.27 0.00 0.00 179.45 177.97 3f1g h THR 107 N 0.04 1.35 -0.62 1.00 2.02 -1.95 -1.76 112.91 113.00 3f1g h THR 107 Ca 0.66 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3f1g h THR 107 Cb 1.49 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 69.92 3f1g h THR 107 CO -0.84 0.52 0.41 0.40 0.37 0.00 0.00 175.52 176.38 3f1g h ILE 108 N 0.17 1.16 -0.26 3.11 1.08 -0.70 -2.09 117.51 119.99 3f1g h ILE 108 Ca -0.01 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 3f1g h ILE 108 Cb 1.06 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3f1g h ILE 108 CO 0.09 0.16 -0.06 0.28 -0.69 0.00 0.00 178.15 177.94 3f1g h SER 109 N 0.85 0.39 -1.14 1.72 0.02 -0.53 -1.94 113.55 112.92 3f1g h SER 109 Ca 0.23 -0.08 0.32 0.00 -0.84 0.00 0.00 61.79 61.42 3f1g h SER 109 Cb -0.09 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 3f1g h SER 109 CO -0.05 0.50 0.80 1.56 -1.14 0.00 0.00 176.83 178.50 3f1g h GLN 110 N 0.40 0.09 -0.16 3.45 4.20 -0.59 0.23 115.11 122.73 3f1g h GLN 110 Ca 0.08 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 3f1g h GLN 110 Cb 0.35 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3f1g h GLN 110 CO 0.02 0.06 -0.44 0.00 -0.67 0.00 0.00 178.83 177.80 3f1g h ARG 111 N 0.09 0.58 -0.30 1.46 2.47 -1.45 -1.76 114.38 115.47 3f1g h ARG 111 Ca 0.57 -0.41 0.07 0.00 -1.26 0.00 0.00 59.98 58.95 3f1g h ARG 111 Cb 2.06 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 30.37 3f1g h ARG 111 CO -0.08 1.03 -0.23 0.28 0.56 0.00 0.00 179.97 181.52 3f1g h VAL 112 N 0.23 0.39 -0.92 2.04 2.07 -0.63 0.98 116.25 120.41 3f1g h VAL 112 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 3f1g h VAL 112 Cb 1.05 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 3f1g h VAL 112 CO 0.09 0.00 0.59 0.45 0.02 0.00 0.00 177.57 178.72 3f1g h HIS 113 N -0.21 0.95 0.00 1.57 3.86 -1.26 0.83 115.15 120.89 3f1g h HIS 113 Ca 0.16 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 3f1g h HIS 113 Cb 0.45 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3f1g h HIS 113 CO -0.42 0.39 -0.22 -0.09 0.86 0.00 0.00 177.93 178.45 3f1g h ARG 114 N 0.84 0.00 0.00 2.45 9.65 0.06 0.05 114.38 127.42 3f1g h ARG 114 Ca 0.45 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.30 3f1g h ARG 114 Cb 0.56 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3f1g h ARG 114 CO -0.21 0.22 -0.13 1.25 2.80 0.00 0.00 179.97 183.90 3f1g h LEU 115 N 0.00 0.00 -0.01 3.80 5.85 0.72 -0.83 115.31 124.84 3f1g h LEU 115 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3f1g h LEU 115 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3f1g h LEU 115 CO 0.03 0.13 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.81 3f1g h GLU 116 N 0.00 0.10 -0.71 1.25 4.39 -0.53 -1.60 114.58 117.48 3f1g h GLU 116 Ca -0.00 -0.09 0.08 0.00 0.34 0.00 0.00 59.36 59.68 3f1g h GLU 116 Cb 0.89 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.50 3f1g h GLU 116 CO 0.02 0.80 0.38 0.93 -1.16 0.00 0.00 179.01 179.98 3f1g h GLU 117 N -0.57 0.65 0.00 2.33 5.08 -1.00 0.27 114.58 121.35 3f1g h GLU 117 Ca -0.01 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3f1g h GLU 117 Cb 0.83 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3f1g h GLU 117 CO 0.02 0.43 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.17 3f1g h LEU 118 N 0.67 0.00 -0.41 1.33 3.38 -1.20 -2.45 115.31 116.64 3f1g h LEU 118 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3f1g h LEU 118 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3f1g h LEU 118 CO -0.23 0.23 0.00 -0.08 0.09 0.00 0.00 178.44 178.45 3f1g h GLU 119 N 0.00 0.00 0.06 1.13 4.57 0.06 -1.26 114.58 119.15 3f1g h GLU 119 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3f1g h GLU 119 Cb 0.74 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3f1g h GLU 119 CO 0.03 0.00 -0.03 0.00 -1.18 0.00 0.00 179.01 177.83 3f1g h ALA 120 N 2.05 -1.00 0.00 2.92 0.00 -0.80 -3.25 119.26 119.18 3f1g h ALA 120 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f1g h ALA 120 Cb 0.83 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3f1g h ALA 120 CO 0.00 -0.99 0.00 -0.07 0.00 0.00 0.00 179.25 178.19 3f1g h LEU 121 N -0.09 0.00 0.00 0.00 3.38 -1.61 -1.32 115.31 115.67 3f1g h LEU 121 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3f1g h LEU 121 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3f1g h LEU 121 CO 0.01 0.00 0.00 0.33 0.09 0.00 0.00 178.44 178.87 3f1g n PHE 122 N -2.59 0.00 -2.61 1.13 7.35 -0.48 -3.62 117.46 116.64 3f1g n PHE 122 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 3f1g n PHE 122 Cb 0.18 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.07 3f1g n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f1g n ALA 123 N -0.57 -0.10 -3.13 3.13 0.00 -0.53 -5.03 120.51 114.28 3f1g n ALA 123 Ca 0.03 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 3f1g n ALA 123 Cb 0.01 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 3f1g n ALA 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3f1g s SER 124 N -0.55 -0.23 -0.65 0.00 0.01 -1.01 -4.99 113.70 106.28 3f1g s SER 124 Ca 0.06 0.45 -0.04 0.00 1.31 0.00 0.00 55.95 57.73 3f1g s SER 124 Cb 0.21 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.85 3f1g s SER 124 CO -0.06 -0.08 1.78 -0.81 0.41 0.00 0.00 173.24 174.49 3f1g n PRO 125 N 3.02 1.47 -0.15 12.44 -0.04 -1.26 -3.96 135.00 146.52 3f1g n PRO 125 Ca -0.13 -1.18 0.01 0.00 -0.04 0.00 0.00 63.50 62.16 3f1g n PRO 125 Cb 0.58 -2.32 0.01 0.00 -0.04 0.00 0.00 33.50 31.73 3f1g n PRO 125 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3f1g n GLU 126 N 4.46 0.63 -0.68 0.54 0.00 -1.26 -4.69 120.64 119.65 3f1g n GLU 126 Ca 0.32 -1.02 0.05 0.00 0.00 0.00 0.00 57.16 56.51 3f1g n GLU 126 Cb 0.09 -0.69 0.31 0.00 0.00 0.00 0.00 31.44 31.15 3f1g n GLU 126 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3f1g n ILE 127 N -0.23 2.09 -0.23 6.31 2.08 -1.25 -3.71 119.36 124.41 3f1g n ILE 127 Ca 0.02 -1.06 -0.03 0.00 0.56 0.00 0.00 62.75 62.24 3f1g n ILE 127 Cb 0.53 -0.34 0.14 0.00 -0.75 0.00 0.00 39.64 39.22 3f1g n ILE 127 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3f1g h GLU 128 N 3.00 1.05 0.00 0.38 3.07 -1.93 -3.42 114.58 116.73 3f1g h GLU 128 Ca 0.00 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 3f1g h GLU 128 Cb 1.62 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3f1g h GLU 128 CO 0.38 0.83 0.00 0.39 -1.40 0.00 0.00 179.01 179.21 3f1g n GLU 129 N -4.31 1.58 -2.39 2.33 1.02 -1.24 -4.96 120.64 112.67 3f1g n GLU 129 Ca 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.17 3f1g n GLU 129 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.55 3f1g n GLU 129 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3f1g n ARG 130 N -0.22 -3.41 -0.68 3.49 5.12 -1.26 -4.96 116.66 114.74 3f1g n ARG 130 Ca 0.00 2.70 -0.32 0.00 -1.93 0.00 0.00 57.85 58.31 3f1g n ARG 130 Cb 0.00 -4.32 0.17 0.00 -1.16 0.00 0.00 32.46 27.15 3f1g n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3f1g n PRO 131 N 1.11 -1.15 -0.24 5.56 -0.04 -1.26 -4.68 135.00 134.30 3f1g n PRO 131 Ca -0.24 -0.30 0.09 0.00 -0.04 0.00 0.00 63.50 63.01 3f1g n PRO 131 Cb 0.37 -1.94 0.35 0.00 -0.04 0.00 0.00 33.50 32.24 3f1g n PRO 131 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3f1g h LYS 132 N -1.99 0.73 0.54 0.54 3.64 -1.98 -2.34 116.57 115.71 3f1g h LYS 132 Ca -0.50 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 3f1g h LYS 132 Cb 1.31 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3f1g h LYS 132 CO 0.39 0.48 -0.36 0.87 -2.27 0.00 0.00 179.45 178.56 3f1g h LYS 133 N 0.75 -0.83 -0.93 1.90 1.79 -2.01 -2.55 116.57 114.69 3f1g h LYS 133 Ca 0.40 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.98 3f1g h LYS 133 Cb 0.51 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.28 3f1g h LYS 133 CO -0.16 -0.56 0.59 1.49 -1.08 0.00 0.00 179.45 179.73 3f1g h GLU 134 N -0.86 1.04 -0.57 3.15 4.81 -1.83 -1.98 114.58 118.34 3f1g h GLU 134 Ca -0.06 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.22 3f1g h GLU 134 Cb 0.72 -0.24 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 3f1g h GLU 134 CO 0.04 0.69 0.07 1.96 -0.73 0.00 0.00 179.01 181.04 3f1g h GLN 135 N 1.08 0.18 0.00 1.92 4.20 -1.20 -0.79 115.11 120.50 3f1g h GLN 135 Ca 0.40 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3f1g h GLN 135 Cb 0.16 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3f1g h GLN 135 CO -0.17 0.12 0.00 0.28 -0.67 0.00 0.00 178.83 178.39 3f1g n VAL 136 N -5.18 0.00 0.00 -0.54 0.31 -0.75 -1.21 118.33 110.97 3f1g n VAL 136 Ca 0.08 1.19 -0.10 0.00 -0.01 0.00 0.00 64.34 65.50 3f1g n VAL 136 Cb 0.31 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 3f1g n VAL 136 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3f1g h ARG 137 N 0.00 -0.33 -0.94 5.55 2.47 -1.56 0.14 114.38 119.71 3f1g h ARG 137 Ca 0.00 0.02 0.24 0.00 -1.26 0.00 0.00 59.98 58.98 3f1g h ARG 137 Cb 0.00 0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 28.27 3f1g h ARG 137 CO 0.00 -0.22 0.47 1.25 0.56 0.00 0.00 179.97 182.03 3f1g h LEU 138 N -0.34 0.45 -0.02 3.04 6.46 -1.15 0.46 115.31 124.21 3f1g h LEU 138 Ca 0.10 0.15 -0.10 0.00 -0.12 0.00 0.00 57.88 57.91 3f1g h LEU 138 Cb 0.49 0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.53 3f1g h LEU 138 CO -0.32 0.02 -0.39 0.11 -0.62 0.00 0.00 178.44 177.24 3f1g h LYS 139 N 0.45 0.31 -0.99 1.25 1.79 -0.19 -3.15 116.57 116.04 3f1g h LYS 139 Ca 0.60 -0.30 0.19 0.00 -2.18 0.00 0.00 60.65 58.96 3f1g h LYS 139 Cb 1.16 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.79 3f1g h LYS 139 CO -0.52 0.98 0.61 1.25 -1.08 0.00 0.00 179.45 180.70 3f1g h HIS 140 N -0.25 0.94 0.37 -1.35 -0.00 0.20 -0.00 115.15 115.06 3f1g h HIS 140 Ca -0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3f1g h HIS 140 Cb 1.10 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.20 3f1g h HIS 140 CO 0.15 0.22 -0.46 0.93 -0.00 0.00 0.00 177.93 178.77 3f1g h GLU 141 N 0.68 -0.82 -0.98 5.26 5.08 -0.24 -2.61 114.58 120.95 3f1g h GLU 141 Ca 0.55 0.06 0.32 0.00 -1.00 0.00 0.00 59.36 59.30 3f1g h GLU 141 Cb 0.98 0.19 -0.16 0.00 0.50 0.00 0.00 28.75 30.26 3f1g h GLU 141 CO -0.33 -0.54 0.49 1.25 -1.00 0.00 0.00 179.01 178.88 3f1g h LEU 142 N -0.85 0.37 0.43 1.33 6.46 -0.97 0.74 115.31 122.82 3f1g h LEU 142 Ca -0.05 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 3f1g h LEU 142 Cb 0.75 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 3f1g h LEU 142 CO -0.10 -0.20 -0.38 -0.33 -0.62 0.00 0.00 178.44 176.81 3f1g h GLU 143 N 0.24 -0.78 0.00 1.25 5.08 -1.04 0.87 114.58 120.20 3f1g h GLU 143 Ca 0.72 0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 59.04 3f1g h GLU 143 Cb 1.68 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 3f1g h GLU 143 CO -0.66 -0.52 -0.48 0.07 -1.00 0.00 0.00 179.01 176.42 3f1g h ARG 144 N -0.81 0.00 -0.94 2.33 0.11 -0.98 0.36 114.38 114.45 3f1g h ARG 144 Ca -0.04 0.00 0.16 0.00 0.10 0.00 0.00 59.98 60.20 3f1g h ARG 144 Cb 0.71 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.71 3f1g h ARG 144 CO -0.03 0.48 0.60 -0.07 0.10 0.00 0.00 179.97 181.05 3f1g h LEU 145 N 0.00 0.70 0.02 0.08 -0.00 0.76 -0.43 115.31 116.45 3f1g h LEU 145 Ca -0.00 0.05 -0.27 0.00 -0.00 0.00 0.00 57.88 57.66 3f1g h LEU 145 Cb 1.18 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.73 3f1g h LEU 145 CO 0.06 0.33 -1.43 1.56 -0.00 0.00 0.00 178.44 178.96 3f1g h GLN 146 N 0.73 0.04 0.00 1.13 4.20 -0.33 -3.10 115.11 117.79 3f1g h GLN 146 Ca 0.49 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.13 3f1g h GLN 146 Cb 0.77 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3f1g h GLN 146 CO -0.25 0.78 0.00 1.17 -0.67 0.00 0.00 178.83 179.86 3f1g n LYS 147 N -3.22 0.09 0.00 1.46 4.81 0.12 -1.29 118.16 120.13 3f1g n LYS 147 Ca -0.11 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3f1g n LYS 147 Cb 1.01 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.56 3f1g n LYS 147 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3f1g n TYR 148 N -1.18 0.00 0.04 5.64 4.01 -1.06 -4.87 117.16 119.74 3f1g n TYR 148 Ca 0.02 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.86 3f1g n TYR 148 Cb 0.03 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.96 3f1g n TYR 148 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3f1g n LEU 149 N -0.78 0.41 -4.57 7.72 4.77 -1.07 -4.72 117.00 118.76 3f1g n LEU 149 Ca 0.00 0.16 -0.25 0.00 -0.03 0.00 0.00 56.01 55.89 3f1g n LEU 149 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3f1g n LEU 149 CO 0.00 -0.05 1.40 -0.44 -1.33 0.00 0.00 177.39 176.97 3f1g s SER 150 N -5.00 4.83 0.00 -1.43 0.01 -0.41 0.29 113.70 111.99 3f1g s SER 150 Ca -0.05 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.01 3f1g s SER 150 Cb 0.11 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3f1g s SER 150 CO 0.85 -3.21 0.00 0.61 0.41 0.00 0.00 173.24 171.90 3f1g n GLY 151 N 6.22 0.82 0.06 3.44 0.00 -1.26 -4.90 105.19 109.56 3f1g n GLY 151 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 3f1g n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3f1g n PHE 152 N 0.00 0.00 0.26 1.61 -0.00 0.12 0.96 117.46 120.41 3f1g n PHE 152 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.55 3f1g n PHE 152 Cb 0.00 -0.67 0.70 0.00 -0.00 0.00 0.00 39.48 39.51 3f1g n PHE 152 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 3f1g h ARG 153 N 0.00 0.00 0.00 -4.13 -0.00 -0.51 -1.56 114.38 108.17 3f1g h ARG 153 Ca -0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.58 3f1g h ARG 153 Cb 1.66 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.61 3f1g h ARG 153 CO 0.02 0.08 -0.38 1.37 -0.00 0.00 0.00 179.97 181.05 3f1g h LEU 154 N 0.00 0.00 -9.59 0.08 -0.00 -1.83 -3.42 115.31 100.56 3f1g h LEU 154 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 3f1g h LEU 154 Cb 0.17 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.86 3f1g h LEU 154 CO 0.01 0.38 0.76 -0.22 -0.00 0.00 0.00 178.44 179.38 3f1g s LEU 155 N -6.90 4.37 0.00 0.17 2.96 -0.59 -4.86 118.68 113.84 3f1g s LEU 155 Ca 0.01 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 3f1g s LEU 155 Cb 0.10 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.20 3f1g s LEU 155 CO 0.69 -0.69 0.00 0.29 -1.32 0.00 0.00 176.35 175.32 3f1g n LYS 156 N 3.75 1.53 0.00 1.98 5.02 -1.26 -4.98 118.16 124.20 3f1g n LYS 156 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3f1g n LYS 156 Cb 0.41 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.77 3f1g n LYS 156 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3f1g n ARG 157 N -0.91 0.00 0.00 1.97 5.12 -1.26 -5.09 116.66 116.49 3f1g n ARG 157 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3f1g n ARG 157 Cb 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 3f1g n ARG 157 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3f1g n LEU 158 N 0.00 0.00 -3.46 0.55 0.00 -1.26 -5.08 117.00 107.75 3f1g n LEU 158 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 3f1g n LEU 158 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3f1g n LEU 158 CO 0.00 0.00 -0.46 -2.65 0.00 0.00 0.00 177.39 174.28 3f1g n PRO 159 N 0.00 0.00 0.01 1.96 -0.02 -1.26 -4.92 135.00 130.77 3f1g n PRO 159 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 3f1g n PRO 159 Cb 0.00 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 3f1g n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3f1g n ASP 160 N 1.98 0.64 -3.48 2.55 8.00 -0.35 -5.00 116.55 120.90 3f1g n ASP 160 Ca 0.07 -0.43 -0.04 0.00 0.71 0.00 0.00 54.79 55.11 3f1g n ASP 160 Cb 0.36 0.98 0.01 0.00 -0.02 0.00 0.00 41.12 42.45 3f1g n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f1g s ALA 161 N -3.16 -1.54 -0.03 2.24 0.00 -1.24 -4.28 121.76 113.74 3f1g s ALA 161 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3f1g s ALA 161 Cb 0.15 0.70 0.03 0.00 0.00 0.00 0.00 23.12 24.00 3f1g s ALA 161 CO 0.83 -1.05 0.04 0.96 0.00 0.00 0.00 175.76 176.54 3f1g s ILE 162 N -2.61 -0.03 -0.11 0.00 -5.25 -1.09 -1.73 121.20 110.38 3f1g s ILE 162 Ca 0.17 0.30 -0.17 0.00 -0.99 0.00 0.00 60.65 59.96 3f1g s ILE 162 Cb -0.02 -0.16 -0.04 0.00 2.95 0.00 0.00 42.46 45.19 3f1g s ILE 162 CO 0.05 0.15 0.45 0.12 -1.79 0.00 0.00 174.94 173.92 3f1g s PHE 163 N 1.63 3.52 -0.06 1.37 5.36 0.12 -2.46 117.98 127.46 3f1g s PHE 163 Ca -0.02 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 56.84 3f1g s PHE 163 Cb -0.13 -2.51 0.02 0.00 -0.34 0.00 0.00 43.02 40.06 3f1g s PHE 163 CO -0.03 0.21 -0.10 0.08 -1.46 0.00 0.00 175.22 173.92 3f1g s VAL 164 N 0.49 1.00 0.01 3.12 1.01 -0.82 -0.09 120.40 125.11 3f1g s VAL 164 Ca 0.25 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 3f1g s VAL 164 Cb -0.15 -0.94 -0.17 0.00 0.00 0.00 0.00 36.38 35.13 3f1g s VAL 164 CO 0.10 0.33 1.25 -0.37 0.00 0.00 0.00 175.10 176.40 3f1g h VAL 165 N 6.01 0.78 -3.35 2.92 -1.51 -1.49 -1.95 116.25 117.67 3f1g h VAL 165 Ca -0.32 -0.65 -0.55 0.00 -1.23 0.00 0.00 66.70 63.95 3f1g h VAL 165 Cb 1.18 1.13 -0.39 0.00 -2.13 0.00 0.00 31.29 31.07 3f1g h VAL 165 CO 0.47 0.13 -0.77 -0.62 -1.23 0.00 0.00 177.57 175.55 3f1g s ASP 166 N -5.16 3.30 0.08 4.19 3.68 -1.26 -3.83 116.67 117.67 3f1g s ASP 166 Ca -0.14 -1.02 -0.33 0.00 2.13 0.00 0.00 52.55 53.18 3f1g s ASP 166 Cb 0.02 -0.78 -0.17 0.00 -1.45 0.00 0.00 42.92 40.54 3f1g s ASP 166 CO 0.56 -0.30 1.61 1.55 0.13 0.00 0.00 175.17 178.72 3f1g h PRO 167 N 8.15 -0.87 -0.51 4.34 0.13 -1.83 -2.56 132.00 138.85 3f1g h PRO 167 Ca -0.16 0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.08 3f1g h PRO 167 Cb 1.09 0.20 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 3f1g h PRO 167 CO 0.37 -0.58 0.23 1.15 -0.23 0.00 0.00 178.00 178.94 3f1g h THR 168 N -0.90 0.90 0.00 1.56 2.02 -1.94 0.11 112.91 114.66 3f1g h THR 168 Ca -0.07 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3f1g h THR 168 Cb 0.74 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3f1g h THR 168 CO 0.06 0.08 0.00 0.29 0.37 0.00 0.00 175.52 176.32 3f1g n LYS 169 N -4.93 0.00 -1.39 6.66 5.02 -1.10 -2.46 118.16 119.96 3f1g n LYS 169 Ca 0.05 0.57 -0.24 0.00 -2.02 0.00 0.00 58.31 56.67 3f1g n LYS 169 Cb 0.16 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 3f1g n LYS 169 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3f1g n GLU 170 N -2.06 2.32 0.25 1.97 4.71 -0.98 -4.53 120.64 122.32 3f1g n GLU 170 Ca 0.00 -2.10 0.12 0.00 -0.01 0.00 0.00 57.16 55.17 3f1g n GLU 170 Cb 0.00 -2.11 0.65 0.00 -1.01 0.00 0.00 31.44 28.97 3f1g n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3f1g h ALA 171 N 2.96 1.17 -0.89 0.62 0.00 -0.45 -2.71 119.26 119.96 3f1g h ALA 171 Ca 0.36 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.26 3f1g h ALA 171 Cb 0.86 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 3f1g h ALA 171 CO 0.76 0.19 0.51 -0.84 0.00 0.00 0.00 179.25 179.87 3f1g h ILE 172 N 0.00 0.83 0.32 0.00 -0.00 -1.85 -1.87 117.51 114.95 3f1g h ILE 172 Ca -0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 64.86 64.58 3f1g h ILE 172 Cb 0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 36.82 37.28 3f1g h ILE 172 CO 0.02 0.14 -0.16 0.00 -0.00 0.00 0.00 178.15 178.16 3f1g h ALA 173 N 1.53 -0.43 -0.90 0.16 0.00 -1.86 -2.37 119.26 115.39 3f1g h ALA 173 Ca 0.46 -0.12 0.25 0.00 0.00 0.00 0.00 54.91 55.50 3f1g h ALA 173 Cb 0.54 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.36 3f1g h ALA 173 CO -0.30 -0.71 0.27 0.28 0.00 0.00 0.00 179.25 178.79 3f1g h VAL 174 N -0.50 0.31 0.06 0.00 2.07 -1.42 0.30 116.25 117.06 3f1g h VAL 174 Ca -0.04 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3f1g h VAL 174 Cb 0.37 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3f1g h VAL 174 CO 0.07 0.04 -0.03 -0.09 0.02 0.00 0.00 177.57 177.59 3f1g h ARG 175 N 0.22 -0.07 -0.14 1.57 2.43 -1.13 0.84 114.38 118.09 3f1g h ARG 175 Ca 0.57 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.80 3f1g h ARG 175 Cb 1.18 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 3f1g h ARG 175 CO -0.66 0.13 -0.24 0.93 -1.51 0.00 0.00 179.97 178.62 3f1g h GLU 176 N -0.27 -0.29 0.64 0.20 5.08 -0.31 -0.42 114.58 119.22 3f1g h GLU 176 Ca -0.01 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3f1g h GLU 176 Cb 0.23 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3f1g h GLU 176 CO 0.01 -0.20 -0.38 0.00 -1.00 0.00 0.00 179.01 177.44 3f1g h ALA 177 N 0.65 -0.98 -0.76 3.43 0.00 -0.39 -2.75 119.26 118.45 3f1g h ALA 177 Ca 0.10 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.99 3f1g h ALA 177 Cb 0.46 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 3f1g h ALA 177 CO -0.31 -1.07 0.15 -0.09 0.00 0.00 0.00 179.25 177.93 3f1g h ARG 178 N -0.96 0.22 -0.59 0.00 9.65 0.10 0.11 114.38 122.90 3f1g h ARG 178 Ca -0.08 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.74 3f1g h ARG 178 Cb 0.78 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 3f1g h ARG 178 CO 0.09 0.15 0.19 -0.22 2.80 0.00 0.00 179.97 182.98 3f1g h LYS 179 N 0.23 0.88 -0.53 0.20 3.64 -0.93 0.30 116.57 120.36 3f1g h LYS 179 Ca 0.44 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3f1g h LYS 179 Cb 0.78 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3f1g h LYS 179 CO -0.56 0.76 0.00 1.28 -2.27 0.00 0.00 179.45 178.65 3f1g n LEU 180 N -4.29 1.34 -2.20 5.20 4.77 0.29 -4.86 117.00 117.23 3f1g n LEU 180 Ca 0.05 -0.67 -0.17 0.00 -0.03 0.00 0.00 56.01 55.18 3f1g n LEU 180 Cb 0.20 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3f1g n LEU 180 CO 0.40 0.26 -0.21 0.49 -1.33 0.00 0.00 177.39 176.99 3f1g n PHE 181 N 0.02 -0.95 -2.94 -1.77 3.72 0.09 -4.94 117.46 110.69 3f1g n PHE 181 Ca 0.05 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.04 3f1g n PHE 181 Cb 0.28 -3.37 -0.04 0.00 -0.94 0.00 0.00 39.48 35.41 3f1g n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3f1g s ILE 182 N -2.77 4.97 0.34 4.37 1.01 -0.72 -5.01 121.20 123.39 3f1g s ILE 182 Ca 0.00 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 3f1g s ILE 182 Cb 0.00 -4.12 -0.11 0.00 0.01 0.00 0.00 42.46 38.24 3f1g s ILE 182 CO 0.00 0.19 1.43 -2.84 0.00 0.00 0.00 174.94 173.72 3f1g s PRO 183 N 1.12 4.21 -0.17 2.79 0.02 -1.26 -4.10 135.00 137.62 3f1g s PRO 183 Ca 0.41 2.42 -0.06 0.00 0.02 0.00 0.00 61.00 63.79 3f1g s PRO 183 Cb -0.18 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3f1g s PRO 183 CO 0.19 -0.41 0.03 0.08 -0.33 0.00 0.00 177.00 176.56 3f1g s VAL 184 N -0.89 4.54 0.02 3.83 1.01 -1.26 -2.65 120.40 125.00 3f1g s VAL 184 Ca 0.53 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.39 3f1g s VAL 184 Cb -0.44 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3f1g s VAL 184 CO 0.56 0.49 -0.04 0.27 0.00 0.00 0.00 175.10 176.38 3f1g s ILE 185 N 0.22 0.26 -0.25 2.22 -4.36 -1.03 -0.00 121.20 118.25 3f1g s ILE 185 Ca 0.02 -0.64 -0.28 0.00 -0.26 0.00 0.00 60.65 59.49 3f1g s ILE 185 Cb -0.13 -0.32 0.16 0.00 1.25 0.00 0.00 42.46 43.43 3f1g s ILE 185 CO 0.01 -0.25 1.23 0.00 0.24 0.00 0.00 174.94 176.16 3f1g s ALA 186 N -0.89 -2.06 0.37 2.27 0.00 -1.09 -1.94 121.76 118.42 3f1g s ALA 186 Ca -0.08 1.76 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 3f1g s ALA 186 Cb -0.06 -1.32 -0.09 0.00 0.00 0.00 0.00 23.12 21.65 3f1g s ALA 186 CO -0.00 -0.23 1.12 -1.17 0.00 0.00 0.00 175.76 175.47 3f1g s LEU 187 N -0.70 4.28 -0.28 0.00 0.20 -0.73 -0.59 118.68 120.86 3f1g s LEU 187 Ca 0.05 2.25 -0.13 0.00 0.69 0.00 0.00 54.13 56.99 3f1g s LEU 187 Cb -0.02 -3.96 0.10 0.00 -0.43 0.00 0.00 46.19 41.88 3f1g s LEU 187 CO -0.06 -0.48 0.64 0.00 -0.29 0.00 0.00 176.35 176.16 3f1g s ALA 188 N -1.41 -1.88 1.00 5.97 0.00 -0.71 -3.91 121.76 120.81 3f1g s ALA 188 Ca 0.54 2.30 0.00 0.00 0.00 0.00 0.00 51.96 54.80 3f1g s ALA 188 Cb -0.29 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3f1g s ALA 188 CO 0.36 -0.64 0.00 -0.40 0.00 0.00 0.00 175.76 175.08 3f1g n ASP 189 N 4.88 -0.10 0.28 0.00 5.75 -1.13 -1.93 116.55 124.30 3f1g n ASP 189 Ca -0.16 -0.70 0.15 0.00 -0.01 0.00 0.00 54.79 54.07 3f1g n ASP 189 Cb 0.54 0.00 0.78 0.00 -1.03 0.00 0.00 41.12 41.41 3f1g n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3f1g h THR 190 N -0.81 0.31 0.00 2.12 1.35 -1.87 -2.86 112.91 111.14 3f1g h THR 190 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3f1g h THR 190 Cb 0.00 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3f1g h THR 190 CO 0.00 0.08 0.00 -0.67 -0.25 0.00 0.00 175.52 174.68 3f1g n ASP 191 N -3.37 1.40 -4.46 5.36 2.03 -1.22 -3.13 116.55 113.16 3f1g n ASP 191 Ca -0.01 -1.23 -0.23 0.00 0.52 0.00 0.00 54.79 53.85 3f1g n ASP 191 Cb 0.24 -0.31 -0.10 0.00 -0.72 0.00 0.00 41.12 40.23 3f1g n ASP 191 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3f1g s SER 192 N 0.51 2.98 -0.84 1.67 0.01 -1.08 -4.68 113.70 112.25 3f1g s SER 192 Ca 0.00 -1.22 -0.01 0.00 1.31 0.00 0.00 55.95 56.03 3f1g s SER 192 Cb 0.00 -0.21 0.21 0.00 0.21 0.00 0.00 66.02 66.23 3f1g s SER 192 CO 0.00 -0.34 0.71 1.51 0.41 0.00 0.00 173.24 175.53 3f1g s ASP 193 N -3.49 5.80 0.52 2.44 3.84 -1.26 -4.07 116.67 120.45 3f1g s ASP 193 Ca 0.31 -3.63 0.25 0.00 -0.00 0.00 0.00 52.55 49.48 3f1g s ASP 193 Cb 0.04 -1.88 1.37 0.00 -1.38 0.00 0.00 42.92 41.07 3f1g s ASP 193 CO 0.13 -0.20 1.98 1.55 -0.00 0.00 0.00 175.17 178.64 3f1g h PRO 194 N 6.08 0.04 -0.09 2.11 0.13 -1.95 -2.65 132.00 135.68 3f1g h PRO 194 Ca 0.14 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.12 3f1g h PRO 194 Cb 0.82 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3f1g h PRO 194 CO 0.82 0.03 -0.57 -0.44 -0.23 0.00 0.00 178.00 177.62 3f1g h ASP 195 N 0.04 0.32 -0.34 1.44 3.45 -1.94 -3.06 116.42 116.33 3f1g h ASP 195 Ca 0.28 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3f1g h ASP 195 Cb 1.04 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 3f1g h ASP 195 CO -0.01 0.82 0.00 0.00 -1.57 0.00 0.00 179.24 178.47 3f1g n LEU 196 N -3.91 2.36 -4.45 1.55 -0.00 -1.00 -4.77 117.00 106.78 3f1g n LEU 196 Ca -0.02 -1.19 -0.34 0.00 -0.00 0.00 0.00 56.01 54.46 3f1g n LEU 196 Cb 0.59 -0.35 -0.13 0.00 -0.00 0.00 0.00 43.42 43.54 3f1g n LEU 196 CO 0.44 0.47 -0.35 -0.69 -0.00 0.00 0.00 177.39 177.26 3f1g s VAL 197 N -1.62 3.82 0.18 1.47 1.01 -1.16 -4.90 120.40 119.19 3f1g s VAL 197 Ca 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 3f1g s VAL 197 Cb 0.15 -2.69 -0.11 0.00 0.00 0.00 0.00 36.38 33.72 3f1g s VAL 197 CO 0.14 0.46 1.43 0.44 0.00 0.00 0.00 175.10 177.57 3f1g h ASP 198 N 7.12 0.45 -2.97 3.32 5.19 -1.46 -3.41 116.42 124.66 3f1g h ASP 198 Ca -0.33 -0.30 -0.50 0.00 -0.62 0.00 0.00 57.03 55.27 3f1g h ASP 198 Cb 1.18 -0.13 -0.40 0.00 0.18 0.00 0.00 39.33 40.16 3f1g h ASP 198 CO 0.61 1.05 -0.76 -0.31 -3.12 0.00 0.00 179.24 176.71 3f1g s TYR 199 N -3.55 0.42 -0.05 4.55 1.51 1.00 -4.96 117.35 116.26 3f1g s TYR 199 Ca -0.05 -0.69 -0.17 0.00 -1.01 0.00 0.00 57.07 55.15 3f1g s TYR 199 Cb 0.10 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 41.03 3f1g s TYR 199 CO 0.84 -0.68 0.46 0.42 -1.11 0.00 0.00 175.55 175.48 3f1g s ILE 200 N 2.06 5.07 -0.90 2.71 1.01 -1.26 -2.65 121.20 127.24 3f1g s ILE 200 Ca 0.05 0.95 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 3f1g s ILE 200 Cb -0.16 -3.79 0.24 0.00 0.01 0.00 0.00 42.46 38.75 3f1g s ILE 200 CO -0.22 0.45 0.88 -0.38 0.00 0.00 0.00 174.94 175.67 3f1g n ILE 201 N 2.76 3.27 -1.67 2.92 2.08 0.24 -4.43 119.36 124.54 3f1g n ILE 201 Ca -0.10 -5.23 -0.37 0.00 0.56 0.00 0.00 62.75 57.60 3f1g n ILE 201 Cb 0.52 -2.32 0.06 0.00 -0.75 0.00 0.00 39.64 37.15 3f1g n ILE 201 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3f1g n PRO 202 N 2.03 1.02 0.00 0.38 -0.04 -1.26 -1.75 135.00 135.39 3f1g n PRO 202 Ca 0.23 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3f1g n PRO 202 Cb 0.37 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3f1g n PRO 202 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1g n GLY 203 N 1.11 2.90 3.55 0.55 0.00 -0.81 -4.78 105.19 107.71 3f1g n GLY 203 Ca 0.15 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 3f1g n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3f1g n ASN 204 N 0.00 0.16 0.00 1.61 5.15 -1.23 -2.85 115.26 118.10 3f1g n ASN 204 Ca 0.00 0.87 0.00 0.00 -0.60 0.00 0.00 54.58 54.85 3f1g n ASN 204 Cb 0.00 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 37.97 3f1g n ASN 204 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3f1g n ASP 205 N 0.26 0.00 0.00 1.20 5.75 -1.26 -4.61 116.55 117.90 3f1g n ASP 205 Ca 0.11 -1.00 0.06 0.00 -0.01 0.00 0.00 54.79 53.96 3f1g n ASP 205 Cb 0.44 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.41 3f1g n ASP 205 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3f1g n ASP 206 N 0.00 0.29 -4.85 -1.12 8.00 -1.26 -4.88 116.55 112.73 3f1g n ASP 206 Ca 0.00 0.12 -0.35 0.00 0.71 0.00 0.00 54.79 55.27 3f1g n ASP 206 Cb 0.41 1.27 -0.06 0.00 -0.02 0.00 0.00 41.12 42.71 3f1g n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f1g s ALA 207 N -3.24 3.80 0.39 2.24 0.00 -1.26 -4.81 121.76 118.89 3f1g s ALA 207 Ca -0.06 -0.73 0.13 0.00 0.00 0.00 0.00 51.96 51.30 3f1g s ALA 207 Cb 0.11 -1.83 0.96 0.00 0.00 0.00 0.00 23.12 22.35 3f1g s ALA 207 CO 0.86 0.67 1.86 0.82 0.00 0.00 0.00 175.76 179.97 3f1g h ILE 208 N 3.49 0.76 -0.07 0.00 5.03 -1.92 -3.13 117.51 121.67 3f1g h ILE 208 Ca -0.52 -0.18 0.01 0.00 -0.12 0.00 0.00 64.86 64.05 3f1g h ILE 208 Cb 1.20 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 35.14 3f1g h ILE 208 CO 0.62 0.10 -0.20 0.03 -0.68 0.00 0.00 178.15 178.02 3f1g h ARG 209 N 0.54 -0.19 -0.40 2.37 2.47 -1.94 -0.01 114.38 117.21 3f1g h ARG 209 Ca 0.45 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 59.14 3f1g h ARG 209 Cb 0.93 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.28 3f1g h ARG 209 CO -0.19 -0.13 0.06 0.77 0.56 0.00 0.00 179.97 181.04 3f1g h SER 210 N -0.20 0.57 0.10 7.04 0.02 -1.74 -2.15 113.55 117.19 3f1g h SER 210 Ca 0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3f1g h SER 210 Cb 0.24 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3f1g h SER 210 CO -0.17 0.59 -0.05 0.40 -1.14 0.00 0.00 176.83 176.46 3f1g h ILE 211 N 0.59 1.03 -0.63 3.27 2.04 -1.45 -1.46 117.51 120.90 3f1g h ILE 211 Ca 0.13 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3f1g h ILE 211 Cb 0.28 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3f1g h ILE 211 CO 0.00 0.13 0.16 -0.61 0.00 0.00 0.00 178.15 177.83 3f1g h GLN 212 N -0.38 0.98 -0.43 2.37 -0.00 -0.94 -1.92 115.11 114.79 3f1g h GLN 212 Ca -0.01 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.39 3f1g h GLN 212 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.64 3f1g h GLN 212 CO 0.02 0.87 0.16 1.25 0.00 0.00 0.00 178.83 181.12 3f1g h LEU 213 N 0.93 0.60 0.30 -2.39 5.85 -1.28 -0.57 115.31 118.76 3f1g h LEU 213 Ca 0.20 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3f1g h LEU 213 Cb 0.33 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3f1g h LEU 213 CO -0.00 0.62 -0.14 0.40 -0.34 0.00 0.00 178.44 178.98 3f1g h ILE 214 N 0.55 0.61 -0.99 4.05 1.08 -1.15 -2.94 117.51 118.73 3f1g h ILE 214 Ca 0.14 -0.77 0.10 0.00 -0.39 0.00 0.00 64.86 63.94 3f1g h ILE 214 Cb 0.22 0.95 -0.08 0.00 -3.07 0.00 0.00 36.82 34.84 3f1g h ILE 214 CO -0.01 0.13 0.62 -0.07 -0.69 0.00 0.00 178.15 178.13 3f1g h LEU 215 N -0.88 0.95 0.00 1.44 -0.00 -1.40 0.21 115.31 115.63 3f1g h LEU 215 Ca -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3f1g h LEU 215 Cb 0.52 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 3f1g h LEU 215 CO 0.07 0.55 0.00 -0.24 -0.00 0.00 0.00 178.44 178.82 3f1g n SER 216 N -4.59 0.00 -0.10 -0.43 2.88 -0.22 -0.57 113.62 110.60 3f1g n SER 216 Ca 0.17 0.60 0.17 0.00 -1.33 0.00 0.00 58.87 58.48 3f1g n SER 216 Cb 0.28 -0.10 0.58 0.00 -0.75 0.00 0.00 64.21 64.21 3f1g n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3f1g h ARG 217 N 0.00 0.25 0.44 -1.46 2.47 -1.38 0.56 114.38 115.26 3f1g h ARG 217 Ca 0.00 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3f1g h ARG 217 Cb 0.00 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 3f1g h ARG 217 CO 0.00 0.16 -0.27 0.00 0.56 0.00 0.00 179.97 180.42 3f1g h ALA 218 N 1.68 -0.68 -0.40 0.04 0.00 -0.38 0.12 119.26 119.63 3f1g h ALA 218 Ca 0.32 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3f1g h ALA 218 Cb 0.90 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3f1g h ALA 218 CO -0.07 -0.90 0.03 0.28 0.00 0.00 0.00 179.25 178.59 3f1g h VAL 219 N -0.68 1.25 -0.82 0.00 2.07 0.71 -1.91 116.25 116.88 3f1g h VAL 219 Ca -0.05 -0.94 0.14 0.00 0.82 0.00 0.00 66.70 66.67 3f1g h VAL 219 Cb 0.56 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3f1g h VAL 219 CO 0.05 0.32 0.54 0.44 0.02 0.00 0.00 177.57 178.93 3f1g h ASP 220 N 0.52 0.54 -0.41 0.57 5.19 -0.88 0.34 116.42 122.29 3f1g h ASP 220 Ca 0.12 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.51 3f1g h ASP 220 Cb 0.42 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 3f1g h ASP 220 CO 0.01 0.28 0.06 0.25 -3.12 0.00 0.00 179.24 176.73 3f1g h LEU 221 N 0.57 0.66 -0.16 1.55 7.12 -0.17 0.11 115.31 124.99 3f1g h LEU 221 Ca 0.41 -0.26 0.01 0.00 0.13 0.00 0.00 57.88 58.16 3f1g h LEU 221 Cb 0.75 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 3f1g h LEU 221 CO -0.16 0.75 0.09 0.40 -0.13 0.00 0.00 178.44 179.39 3f1g h ILE 222 N 0.54 1.01 -0.61 4.05 1.08 0.07 0.78 117.51 124.42 3f1g h ILE 222 Ca 0.12 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.49 3f1g h ILE 222 Cb 0.38 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 3f1g h ILE 222 CO 0.01 0.03 0.22 0.40 -0.69 0.00 0.00 178.15 178.12 3f1g h ILE 223 N 0.18 1.24 -0.28 -0.67 1.08 -0.35 -1.95 117.51 116.77 3f1g h ILE 223 Ca 0.06 -0.78 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 3f1g h ILE 223 Cb 0.00 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 3f1g h ILE 223 CO -0.04 0.30 -0.10 -0.61 -0.69 0.00 0.00 178.15 177.02 3f1g h GLN 224 N 0.85 0.56 -0.01 2.37 4.15 -0.56 1.13 115.11 123.60 3f1g h GLN 224 Ca 0.20 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3f1g h GLN 224 Cb 0.25 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 3f1g h GLN 224 CO -0.01 0.78 0.03 0.00 -1.93 0.00 0.00 178.83 177.70 3f1g h ALA 225 N 0.76 1.14 -3.00 3.38 0.00 -0.76 -3.32 119.26 117.46 3f1g h ALA 225 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3f1g h ALA 225 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3f1g h ALA 225 CO 0.03 -0.03 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 3f1g n ARG 226 N -3.22 0.00 0.00 0.00 0.63 -0.43 -4.46 116.66 109.18 3f1g n ARG 226 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3f1g n ARG 226 Cb 0.10 -0.11 0.00 0.00 0.45 0.00 0.00 32.46 32.90 3f1g n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1g n GLY 227 N 2.70 2.15 0.00 5.14 0.00 0.38 -5.08 105.19 110.49 3f1g n GLY 227 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3f1g n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1g n GLY 228 N 0.00 0.65 3.77 -0.02 0.00 -1.26 -4.89 105.19 103.44 3f1g n GLY 228 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3f1g n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f1g n VAL 229 N 0.00 2.27 0.00 1.61 0.31 -1.26 -4.96 118.33 116.29 3f1g n VAL 229 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3f1g n VAL 229 Cb 0.00 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 3f1g n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3f1g n VAL 230 N 0.21 0.00 -4.48 2.52 0.24 -1.26 -5.11 118.33 110.44 3f1g n VAL 230 Ca 0.03 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.11 3f1g n VAL 230 Cb 0.40 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.61 3f1g n VAL 230 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3f1g s GLU 231 N 4.56 1.16 0.21 7.34 -6.30 -1.26 -5.11 118.70 119.30 3f1g s GLU 231 Ca 0.00 -0.36 -0.31 0.00 -2.50 0.00 0.00 54.97 51.80 3f1g s GLU 231 Cb 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 34.13 32.93 3f1g s GLU 231 CO 0.00 0.12 1.16 -2.30 0.02 0.00 0.00 175.26 174.26 3f1g n PRO 232 N 3.33 1.34 -0.61 4.30 -0.02 -1.26 -4.98 135.00 137.10 3f1g n PRO 232 Ca -0.19 0.48 -0.28 0.00 -2.02 0.00 0.00 63.50 61.49 3f1g n PRO 232 Cb 0.54 -1.96 0.25 0.00 -0.02 0.00 0.00 33.50 32.31 3f1g n PRO 232 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3f1g s SER 233 N -0.11 0.89 0.28 2.55 1.04 -1.26 -4.92 113.70 112.17 3f1g s SER 233 Ca 0.69 1.39 -0.30 0.00 0.48 0.00 0.00 55.95 58.21 3f1g s SER 233 Cb -0.78 -2.15 -0.13 0.00 0.10 0.00 0.00 66.02 63.06 3f1g s SER 233 CO 0.54 -4.24 1.29 -0.81 0.98 0.00 0.00 173.24 171.00 3f1g n PRO 234 N -4.93 1.92 0.00 4.02 -0.04 -1.26 -4.65 135.00 130.06 3f1g n PRO 234 Ca 0.03 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3f1g n PRO 234 Cb 0.55 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 3f1g n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3f1g n SER 235 N 1.51 0.00 -0.18 3.54 3.41 -1.26 -4.86 113.62 115.78 3f1g n SER 235 Ca 0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.62 3f1g n SER 235 Cb 0.33 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.35 3f1g n SER 235 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3f1g h TYR 236 N 0.00 1.07 -0.10 7.33 -1.99 -1.98 0.48 116.97 121.77 3f1g h TYR 236 Ca 0.00 -0.18 -0.21 0.00 2.00 0.00 0.00 58.73 60.34 3f1g h TYR 236 Cb 0.00 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.45 3f1g h TYR 236 CO 0.00 0.95 -0.79 0.00 -0.00 0.00 0.00 178.16 178.32 3f1g h ALA 237 N 1.08 0.41 -0.20 3.88 0.00 -1.96 -2.68 119.26 119.79 3f1g h ALA 237 Ca 0.17 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3f1g h ALA 237 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3f1g h ALA 237 CO 0.03 0.72 0.14 -0.07 0.00 0.00 0.00 179.25 180.08 3f1g h LEU 238 N 0.41 0.00 -1.36 0.00 3.38 -1.80 -1.03 115.31 114.91 3f1g h LEU 238 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3f1g h LEU 238 Cb 1.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 3f1g h LEU 238 CO 0.15 0.00 0.44 0.58 0.09 0.00 0.00 178.44 179.70 3f1g h VAL 239 N 0.00 1.16 0.00 1.22 2.07 0.31 -3.50 116.25 117.52 3f1g h VAL 239 Ca 0.09 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3f1g h VAL 239 Cb 0.38 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3f1g h VAL 239 CO -0.00 0.16 0.00 1.67 0.02 0.00 0.00 177.57 179.42