#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk h ILE 3 N 0.00 1.21 0.00 2.12 6.09 -2.08 -2.86 117.51 122.00 3nnk h ILE 3 Ca 0.00 -0.59 -0.03 0.00 -1.37 0.00 0.00 64.86 62.87 3nnk h ILE 3 Cb 0.00 0.42 -0.00 0.00 0.47 0.00 0.00 36.82 37.70 3nnk h ILE 3 CO 0.00 0.25 -0.14 0.71 -3.07 0.00 0.00 178.15 175.90 3nnk h THR 4 N 0.88 0.46 -0.33 2.19 1.35 -2.10 -2.65 112.91 112.71 3nnk h THR 4 Ca 0.22 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3nnk h THR 4 Cb 0.10 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3nnk h THR 4 CO -0.03 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 175.38 3nnk n GLN 5 N -3.45 2.05 -3.17 4.72 10.64 -1.08 -4.51 117.38 122.58 3nnk n GLN 5 Ca -0.01 -1.60 -0.46 0.00 -1.83 0.00 0.00 57.00 53.11 3nnk n GLN 5 Cb 0.31 -1.41 -0.02 0.00 -0.86 0.00 0.00 30.24 28.25 3nnk n GLN 5 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3nnk s PHE 6 N -1.56 3.51 0.86 2.61 0.40 -1.00 -5.00 117.98 117.79 3nnk s PHE 6 Ca 0.33 -1.75 -0.12 0.00 -0.60 0.00 0.00 56.93 54.80 3nnk s PHE 6 Cb 0.18 -4.00 0.15 0.00 0.51 0.00 0.00 43.02 39.86 3nnk s PHE 6 CO 0.26 -1.19 1.20 -1.54 0.70 0.00 0.00 175.22 174.65 3nnk s SER 7 N 2.75 3.82 0.81 1.36 1.04 -1.26 -5.04 113.70 117.17 3nnk s SER 7 Ca 0.23 0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.83 3nnk s SER 7 Cb -0.08 -0.56 0.08 0.00 0.10 0.00 0.00 66.02 65.56 3nnk s SER 7 CO -0.09 -2.28 1.20 0.00 0.98 0.00 0.00 173.24 173.06 3nnk s GLN 8 N -5.62 1.63 0.17 4.02 -2.07 -1.26 -4.91 119.66 111.62 3nnk s GLN 8 Ca 0.68 1.75 -0.32 0.00 -1.82 0.00 0.00 55.36 55.66 3nnk s GLN 8 Cb -0.06 -1.78 -0.11 0.00 -1.09 0.00 0.00 33.01 29.97 3nnk s GLN 8 CO 0.50 -2.22 1.65 -1.17 -1.32 0.00 0.00 175.29 172.73 3nnk s LEU 9 N -5.72 4.37 -0.46 2.60 1.98 -1.26 -4.96 118.68 115.22 3nnk s LEU 9 Ca 0.73 2.70 0.06 0.00 -2.89 0.00 0.00 54.13 54.73 3nnk s LEU 9 Cb -0.28 -3.59 0.23 0.00 0.66 0.00 0.00 46.19 43.20 3nnk s LEU 9 CO 0.51 -0.90 0.72 -3.20 -1.89 0.00 0.00 176.35 171.59 3nnk n ASN 10 N 4.30 -2.06 -4.77 3.68 4.05 -1.26 -5.15 115.26 114.04 3nnk n ASN 10 Ca 0.15 -3.00 -0.38 0.00 0.45 0.00 0.00 54.58 51.81 3nnk n ASN 10 Cb 0.38 1.01 -0.03 0.00 1.23 0.00 0.00 39.78 42.36 3nnk n ASN 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3nnk s PRO 11 N 0.23 4.22 0.63 1.20 0.04 -1.26 -5.01 135.00 135.05 3nnk s PRO 11 Ca 0.32 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 3nnk s PRO 11 Cb 0.15 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 3nnk s PRO 11 CO -0.17 -0.12 1.13 -1.25 0.04 0.00 0.00 177.00 176.62 3nnk s PRO 12 N -2.24 2.90 0.07 0.56 0.04 -1.26 -4.96 135.00 130.11 3nnk s PRO 12 Ca 0.55 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 3nnk s PRO 12 Cb -0.26 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3nnk s PRO 12 CO 0.33 -1.19 1.46 0.45 0.04 0.00 0.00 177.00 178.09 3nnk s SER 13 N -2.28 6.77 -0.01 6.66 0.15 -1.26 -5.01 113.70 118.72 3nnk s SER 13 Ca 0.70 2.31 0.00 0.00 0.70 0.00 0.00 55.95 59.66 3nnk s SER 13 Cb -0.22 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 3nnk s SER 13 CO 0.38 -0.73 0.00 -0.13 1.20 0.00 0.00 173.24 173.95 3nnk s ARG 14 N 1.85 0.09 -0.64 5.44 1.81 -1.26 -4.84 118.95 121.40 3nnk s ARG 14 Ca 0.67 0.04 -0.15 0.00 -1.72 0.00 0.00 55.73 54.56 3nnk s ARG 14 Cb -0.36 -0.20 0.16 0.00 -0.45 0.00 0.00 34.95 34.10 3nnk s ARG 14 CO 0.29 -0.06 0.59 -1.17 -0.68 0.00 0.00 175.30 174.28 3nnk s LEU 15 N 0.45 6.38 -0.76 2.53 2.96 0.50 -4.90 118.68 125.85 3nnk s LEU 15 Ca -0.04 -2.09 -0.26 0.00 -0.22 0.00 0.00 54.13 51.52 3nnk s LEU 15 Cb -0.06 -2.21 0.04 0.00 0.50 0.00 0.00 46.19 44.45 3nnk s LEU 15 CO -0.01 -0.77 1.27 -0.76 -1.32 0.00 0.00 176.35 174.77 3nnk s LEU 16 N 1.13 3.29 -0.33 -0.68 1.43 -1.26 -1.41 118.68 120.85 3nnk s LEU 16 Ca 0.08 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 3nnk s LEU 16 Cb -0.23 -2.55 0.49 0.00 0.03 0.00 0.00 46.19 43.93 3nnk s LEU 16 CO -0.01 -1.77 1.46 0.23 0.23 0.00 0.00 176.35 176.49 3nnk n MET 17 N 9.20 2.25 0.00 1.70 2.81 0.93 -4.36 117.12 129.65 3nnk n MET 17 Ca 0.06 -3.40 0.00 0.00 -1.81 0.00 0.00 57.70 52.54 3nnk n MET 17 Cb 0.49 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 3nnk n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nnk n GLY 18 N -1.03 1.59 1.59 3.03 0.00 -1.02 -0.57 105.19 108.78 3nnk n GLY 18 Ca 0.38 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.68 3nnk n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 19 N 0.00 3.87 0.00 1.61 -0.04 -1.26 -2.43 135.00 136.75 3nnk n PRO 19 Ca 0.00 -2.71 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 3nnk n PRO 19 Cb 0.00 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nnk n GLY 20 N 0.91 3.20 3.78 0.55 0.00 -1.26 -4.95 105.19 107.42 3nnk n GLY 20 Ca 0.24 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 3nnk n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 21 N -3.95 3.42 0.21 1.61 0.04 -1.26 -5.13 135.00 129.94 3nnk s PRO 21 Ca 0.00 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.58 3nnk s PRO 21 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3nnk s PRO 21 CO 0.00 -0.76 0.04 0.96 0.04 0.00 0.00 177.00 177.27 3nnk s ILE 22 N -1.97 3.81 0.11 0.56 -5.25 -0.66 -4.85 121.20 112.96 3nnk s ILE 22 Ca 0.69 -1.52 -0.34 0.00 -0.99 0.00 0.00 60.65 58.49 3nnk s ILE 22 Cb -0.20 -2.97 -0.18 0.00 2.95 0.00 0.00 42.46 42.06 3nnk s ILE 22 CO 0.27 -0.21 0.99 0.59 -1.79 0.00 0.00 174.94 174.79 3nnk n ASN 23 N -0.49 0.28 -4.81 4.36 4.13 -1.26 -4.90 115.26 112.57 3nnk n ASN 23 Ca -0.08 1.14 -0.33 0.00 1.68 0.00 0.00 54.58 56.99 3nnk n ASN 23 Cb 0.56 -1.05 -0.02 0.00 -1.54 0.00 0.00 39.78 37.74 3nnk n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk s ALA 24 N -0.27 2.86 0.11 5.41 0.00 -1.26 -4.56 121.76 124.04 3nnk s ALA 24 Ca 0.78 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.85 3nnk s ALA 24 Cb -1.02 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 18.81 3nnk s ALA 24 CO 0.55 -0.50 1.32 0.34 0.00 0.00 0.00 175.76 177.47 3nnk s ASP 25 N -2.57 6.92 0.35 0.00 -1.08 -1.00 -4.94 116.67 114.35 3nnk s ASP 25 Ca 0.64 2.24 0.09 0.00 -0.52 0.00 0.00 52.55 55.00 3nnk s ASP 25 Cb -0.15 -2.59 0.83 0.00 -1.46 0.00 0.00 42.92 39.56 3nnk s ASP 25 CO 0.29 -0.57 1.86 -0.65 0.52 0.00 0.00 175.17 176.62 3nnk h PRO 26 N 6.55 0.66 -0.14 4.34 0.11 -1.95 -0.74 132.00 140.83 3nnk h PRO 26 Ca -0.42 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3nnk h PRO 26 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3nnk h PRO 26 CO 0.83 0.44 -0.17 0.00 -0.21 0.00 0.00 178.00 178.89 3nnk h ARG 27 N 0.68 0.22 -0.14 1.05 -0.00 -1.95 -1.13 114.38 113.11 3nnk h ARG 27 Ca 0.47 -0.06 -0.21 0.00 -0.50 0.00 0.00 59.98 59.68 3nnk h ARG 27 Cb 0.78 -0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.73 3nnk h ARG 27 CO -0.22 0.39 -0.71 0.28 0.00 0.00 0.00 179.97 179.71 3nnk h VAL 28 N 0.21 1.30 -0.68 2.04 2.07 -1.43 -2.09 116.25 117.66 3nnk h VAL 28 Ca 0.04 -1.94 -0.06 0.00 0.82 0.00 0.00 66.70 65.56 3nnk h VAL 28 Cb 0.42 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3nnk h VAL 28 CO 0.03 0.61 0.17 -0.07 0.02 0.00 0.00 177.57 178.33 3nnk h LEU 29 N 0.43 1.00 -0.53 2.57 3.38 -1.20 -2.66 115.31 118.31 3nnk h LEU 29 Ca -0.05 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 3nnk h LEU 29 Cb 1.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3nnk h LEU 29 CO 0.15 0.96 -0.24 0.03 0.09 0.00 0.00 178.44 179.42 3nnk h ARG 30 N 1.02 0.93 0.00 1.13 3.08 -1.21 -2.86 114.38 116.47 3nnk h ARG 30 Ca 0.22 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3nnk h ARG 30 Cb 0.34 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3nnk h ARG 30 CO -0.00 1.06 -0.12 0.00 -1.07 0.00 0.00 179.97 179.84 3nnk h ALA 31 N 0.92 1.74 0.00 0.04 0.00 -1.27 -2.37 119.26 118.32 3nnk h ALA 31 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3nnk h ALA 31 Cb 0.81 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3nnk h ALA 31 CO 0.07 0.16 -0.03 0.52 0.00 0.00 0.00 179.25 179.97 3nnk h MET 32 N 0.00 0.00 -0.06 0.00 2.86 -1.24 -2.96 114.93 113.54 3nnk h MET 32 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3nnk h MET 32 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3nnk h MET 32 CO 0.02 0.03 0.00 -1.13 1.06 0.00 0.00 176.91 176.88 3nnk n SER 33 N -3.12 0.98 -4.77 1.22 3.41 -0.89 -4.91 113.62 105.53 3nnk n SER 33 Ca 0.01 -1.46 -0.37 0.00 -0.26 0.00 0.00 58.87 56.79 3nnk n SER 33 Cb 0.37 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 3nnk n SER 33 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3nnk s SER 34 N -1.78 6.43 0.64 4.04 0.15 -1.12 -5.01 113.70 117.06 3nnk s SER 34 Ca 0.36 2.25 -0.16 0.00 0.70 0.00 0.00 55.95 59.10 3nnk s SER 34 Cb 0.18 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3nnk s SER 34 CO 0.29 -0.73 1.12 -1.58 1.20 0.00 0.00 173.24 173.54 3nnk s GLN 35 N -2.52 2.89 0.57 5.44 2.00 -1.26 -4.98 119.66 121.79 3nnk s GLN 35 Ca 0.60 1.46 -0.01 0.00 -2.00 0.00 0.00 55.36 55.40 3nnk s GLN 35 Cb -0.28 -1.96 0.03 0.00 0.80 0.00 0.00 33.01 31.61 3nnk s GLN 35 CO 0.34 -1.19 0.82 -0.51 -0.50 0.00 0.00 175.29 174.25 3nnk s LEU 36 N -4.65 3.24 0.27 3.68 1.43 -1.26 -5.10 118.68 116.30 3nnk s LEU 36 Ca 0.69 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 3nnk s LEU 36 Cb -0.22 -3.06 -0.06 0.00 0.03 0.00 0.00 46.19 42.89 3nnk s LEU 36 CO 0.39 -1.15 0.07 0.27 0.23 0.00 0.00 176.35 176.16 3nnk s ILE 37 N -2.86 0.82 1.01 -0.59 -0.00 -1.26 -5.16 121.20 113.16 3nnk s ILE 37 Ca 0.56 -2.00 -0.11 0.00 -0.00 0.00 0.00 60.65 59.09 3nnk s ILE 37 Cb -0.10 -2.64 0.20 0.00 -0.00 0.00 0.00 42.46 39.91 3nnk s ILE 37 CO 0.40 -0.05 1.09 -0.83 -0.00 0.00 0.00 174.94 175.56 3nnk s GLY 38 N -3.36 1.62 0.20 6.27 0.00 -1.26 -4.94 107.32 105.85 3nnk s GLY 38 Ca 0.36 0.23 -0.10 0.00 0.00 0.00 0.00 44.72 45.21 3nnk s GLY 38 CO 0.13 0.78 1.81 -1.61 0.00 0.00 0.00 173.10 174.21 3nnk h GLN 39 N -2.14 1.02 -0.19 2.90 4.15 -2.01 -3.17 115.11 115.67 3nnk h GLN 39 Ca -0.51 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 58.77 3nnk h GLN 39 Cb 1.30 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 3nnk h GLN 39 CO 0.46 0.78 -0.01 0.66 -1.93 0.00 0.00 178.83 178.79 3nnk n TYR 40 N -4.45 0.69 -1.72 3.99 4.01 -1.26 -4.63 117.16 113.78 3nnk n TYR 40 Ca 0.06 -0.95 -0.43 0.00 -0.16 0.00 0.00 57.90 56.43 3nnk n TYR 40 Cb 0.10 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 38.84 3nnk n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nnk n ASP 41 N -0.80 3.57 0.05 7.72 -0.08 -1.20 -4.85 116.55 120.96 3nnk n ASP 41 Ca 0.20 1.14 0.22 0.00 -1.51 0.00 0.00 54.79 54.83 3nnk n ASP 41 Cb 0.83 -1.54 0.71 0.00 2.34 0.00 0.00 41.12 43.46 3nnk n ASP 41 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3nnk h PRO 42 N 4.86 0.00 0.02 -0.67 0.11 -1.94 0.17 132.00 134.55 3nnk h PRO 42 Ca -0.46 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 3nnk h PRO 42 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3nnk h PRO 42 CO 0.80 0.00 -1.01 0.00 -0.21 0.00 0.00 178.00 177.58 3nnk h ALA 43 N 1.39 0.28 -0.18 -0.75 0.00 -1.95 -2.83 119.26 115.20 3nnk h ALA 43 Ca 0.23 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3nnk h ALA 43 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3nnk h ALA 43 CO -0.00 0.80 0.01 1.98 0.00 0.00 0.00 179.25 182.04 3nnk h MET 44 N 0.24 0.32 0.00 0.00 -1.53 -0.96 -1.14 114.93 111.86 3nnk h MET 44 Ca -0.10 -0.10 -0.03 0.00 -3.44 0.00 0.00 59.70 56.03 3nnk h MET 44 Cb 1.66 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 32.67 3nnk h MET 44 CO 0.18 0.52 -0.15 1.79 0.14 0.00 0.00 176.91 179.38 3nnk h THR 45 N 0.08 0.41 -0.10 -0.77 1.35 -1.56 -1.39 112.91 110.93 3nnk h THR 45 Ca 0.05 -0.89 -0.12 0.00 -0.55 0.00 0.00 66.41 64.90 3nnk h THR 45 Cb 0.37 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3nnk h THR 45 CO 0.01 0.15 -0.41 -0.74 -0.25 0.00 0.00 175.52 174.28 3nnk h HIS 46 N 0.00 0.61 -0.12 4.73 6.17 -1.32 -2.55 115.15 122.66 3nnk h HIS 46 Ca -0.00 -0.26 -0.08 0.00 0.71 0.00 0.00 60.37 60.74 3nnk h HIS 46 Cb 0.64 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 3nnk h HIS 46 CO 0.00 1.02 -0.27 1.88 0.71 0.00 0.00 177.93 181.27 3nnk h TYR 47 N 0.03 0.24 -0.26 5.26 0.99 -0.96 0.20 116.97 122.46 3nnk h TYR 47 Ca -0.02 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 3nnk h TYR 47 Cb 1.05 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.71 3nnk h TYR 47 CO 0.12 0.47 0.08 0.52 -0.00 0.00 0.00 178.16 179.35 3nnk h MET 48 N 0.20 0.41 -0.40 4.88 2.86 -1.31 -1.06 114.93 120.49 3nnk h MET 48 Ca 0.03 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3nnk h MET 48 Cb 0.58 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3nnk h MET 48 CO 0.04 0.48 0.16 -0.91 1.06 0.00 0.00 176.91 177.74 3nnk h ASN 49 N 0.26 0.51 -0.44 1.22 -0.26 -1.06 -1.39 115.58 114.42 3nnk h ASN 49 Ca 0.08 -0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 3nnk h ASN 49 Cb 0.24 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 3nnk h ASN 49 CO -0.00 0.46 -0.13 -0.33 -1.06 0.00 0.00 177.43 176.37 3nnk h GLU 50 N 0.57 0.87 -0.90 0.81 5.08 -0.80 -2.25 114.58 117.96 3nnk h GLU 50 Ca 0.14 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3nnk h GLU 50 Cb 0.11 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3nnk h GLU 50 CO -0.02 0.98 0.49 0.28 -1.00 0.00 0.00 179.01 179.75 3nnk h VAL 51 N 0.70 1.26 -0.03 3.13 2.07 -0.66 0.11 116.25 122.83 3nnk h VAL 51 Ca 0.11 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3nnk h VAL 51 Cb 0.67 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3nnk h VAL 51 CO 0.05 0.29 0.02 0.24 0.02 0.00 0.00 177.57 178.19 3nnk h MET 52 N 1.26 0.04 -0.60 1.57 2.86 -1.22 -2.20 114.93 116.64 3nnk h MET 52 Ca 0.32 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 3nnk h MET 52 Cb 0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3nnk h MET 52 CO -0.05 0.12 0.18 0.00 1.06 0.00 0.00 176.91 178.22 3nnk h ALA 53 N 0.92 0.78 -0.28 6.32 0.00 -1.11 -2.89 119.26 123.00 3nnk h ALA 53 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3nnk h ALA 53 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3nnk h ALA 53 CO -0.00 0.46 -0.04 -0.07 0.00 0.00 0.00 179.25 179.60 3nnk h LEU 54 N 0.85 0.52 -0.95 0.00 3.38 -0.75 -3.15 115.31 115.20 3nnk h LEU 54 Ca 0.19 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3nnk h LEU 54 Cb 0.29 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3nnk h LEU 54 CO -0.01 0.74 -0.07 1.88 0.09 0.00 0.00 178.44 181.07 3nnk h TYR 55 N 0.29 0.00 -0.45 1.13 0.05 -1.42 -2.29 116.97 114.29 3nnk h TYR 55 Ca 0.07 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.88 3nnk h TYR 55 Cb 0.49 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 3nnk h TYR 55 CO 0.04 0.07 0.24 0.00 -1.05 0.00 0.00 178.16 177.47 3nnk h ARG 56 N 0.00 0.47 -0.08 4.88 3.08 -1.47 0.73 114.38 121.99 3nnk h ARG 56 Ca -0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3nnk h ARG 56 Cb 0.73 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3nnk h ARG 56 CO 0.01 0.31 -0.25 0.78 -1.07 0.00 0.00 179.97 179.76 3nnk h GLY 57 N 0.49 0.15 1.06 0.04 0.00 -1.42 -0.09 103.07 103.30 3nnk h GLY 57 Ca 0.19 -0.11 -0.31 0.00 0.00 0.00 0.00 47.33 47.11 3nnk h GLY 57 CO -0.11 0.10 -1.38 -2.08 0.00 0.00 0.00 176.54 173.07 3nnk h VAL 58 N 0.13 1.27 0.00 4.60 2.07 -1.25 -3.23 116.25 119.84 3nnk h VAL 58 Ca 0.02 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.91 3nnk h VAL 58 Cb 0.51 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3nnk h VAL 58 CO 0.04 0.79 0.00 0.49 0.02 0.00 0.00 177.57 178.91 3nnk n PHE 59 N -3.80 0.56 -3.15 1.57 3.72 0.23 -4.85 117.46 111.74 3nnk n PHE 59 Ca -0.18 0.20 -0.14 0.00 -0.05 0.00 0.00 57.45 57.28 3nnk n PHE 59 Cb 1.04 -0.82 0.07 0.00 -0.94 0.00 0.00 39.48 38.83 3nnk n PHE 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3nnk n ARG 60 N -1.99 -2.73 -4.07 -1.08 5.12 -0.25 -5.73 116.66 105.93 3nnk n ARG 60 Ca 0.04 0.80 -0.10 0.00 -1.93 0.00 0.00 57.85 56.66 3nnk n ARG 60 Cb 0.28 -5.52 -0.09 0.00 -1.16 0.00 0.00 32.46 25.97 3nnk n ARG 60 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3nnk s THR 61 N -3.36 0.09 -0.37 0.55 -1.32 -0.21 -3.06 115.64 107.96 3nnk s THR 61 Ca 0.36 -1.68 0.06 0.00 -1.21 0.00 0.00 61.69 59.22 3nnk s THR 61 Cb -0.05 -1.95 0.17 0.00 -1.51 0.00 0.00 72.50 69.17 3nnk s THR 61 CO 0.68 -0.40 1.13 -0.62 -2.21 0.00 0.00 174.62 173.20 3nnk n GLU 62 N -0.14 2.82 -1.67 7.08 1.02 -1.26 -4.48 120.64 124.01 3nnk n GLU 62 Ca -0.06 -1.87 -0.44 0.00 -0.02 0.00 0.00 57.16 54.76 3nnk n GLU 62 Cb 0.63 -1.19 -0.04 0.00 -0.02 0.00 0.00 31.44 30.83 3nnk n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nnk n ASN 63 N -0.18 3.83 -0.33 1.62 3.02 -1.26 -4.88 115.26 117.08 3nnk n ASN 63 Ca 0.07 0.96 0.08 0.00 -0.03 0.00 0.00 54.58 55.66 3nnk n ASN 63 Cb 0.39 -1.47 0.25 0.00 -0.61 0.00 0.00 39.78 38.33 3nnk n ASN 63 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3nnk h ARG 64 N 9.31 0.77 -4.24 3.52 2.43 -1.97 -3.32 114.38 120.88 3nnk h ARG 64 Ca -0.48 -0.05 -0.76 0.00 -0.81 0.00 0.00 59.98 57.88 3nnk h ARG 64 Cb 1.25 -0.17 -0.22 0.00 -0.42 0.00 0.00 29.97 30.40 3nnk h ARG 64 CO 0.94 0.51 0.81 -1.58 -1.51 0.00 0.00 179.97 179.15 3nnk s TRP 65 N -5.94 3.77 -0.21 2.20 0.52 -1.26 -4.92 118.94 113.09 3nnk s TRP 65 Ca -0.12 -2.24 -0.01 0.00 0.02 0.00 0.00 56.10 53.76 3nnk s TRP 65 Cb 0.23 -4.08 0.06 0.00 -1.15 0.00 0.00 33.47 28.53 3nnk s TRP 65 CO 0.80 -1.20 -0.02 0.99 0.02 0.00 0.00 176.95 177.54 3nnk s THR 66 N 0.50 1.11 0.00 2.01 2.01 -1.25 -1.14 115.64 118.88 3nnk s THR 66 Ca 0.34 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3nnk s THR 66 Cb -0.07 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.99 3nnk s THR 66 CO -0.05 -0.12 0.00 1.15 -0.69 0.00 0.00 174.62 174.91 3nnk n MET 67 N 4.83 0.00 -4.75 4.92 0.00 -0.60 -4.14 117.12 117.38 3nnk n MET 67 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.34 3nnk n MET 67 Cb 0.46 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.52 3nnk n MET 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3nnk s LEU 68 N 0.00 1.88 -0.17 3.17 1.43 -1.26 -1.70 118.68 122.02 3nnk s LEU 68 Ca 0.00 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3nnk s LEU 68 Cb 0.00 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 3nnk s LEU 68 CO 0.00 0.13 0.44 -0.69 0.23 0.00 0.00 176.35 176.46 3nnk s VAL 69 N 0.10 5.19 -0.95 -1.59 1.01 -0.41 -4.97 120.40 118.77 3nnk s VAL 69 Ca -0.04 0.81 -0.24 0.00 0.00 0.00 0.00 61.98 62.51 3nnk s VAL 69 Cb -0.11 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3nnk s VAL 69 CO 0.02 0.27 1.54 1.51 0.00 0.00 0.00 175.10 178.44 3nnk s ASP 70 N 0.89 6.16 0.00 3.32 -4.77 -1.26 -1.63 116.67 119.37 3nnk s ASP 70 Ca 0.22 -1.13 0.00 0.00 -3.30 0.00 0.00 52.55 48.34 3nnk s ASP 70 Cb -0.15 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 3nnk s ASP 70 CO 0.09 -1.82 0.00 0.61 0.70 0.00 0.00 175.17 174.75 3nnk n GLY 71 N 6.68 2.61 3.31 2.12 0.00 -0.64 -4.98 105.19 114.29 3nnk n GLY 71 Ca 0.31 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 3nnk n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3nnk n THR 72 N -0.87 0.00 -0.32 2.61 -2.24 -1.25 -1.98 114.28 110.23 3nnk n THR 72 Ca 0.00 -0.26 0.10 0.00 -2.27 0.00 0.00 64.05 61.62 3nnk n THR 72 Cb 0.00 -0.92 0.27 0.00 -2.10 0.00 0.00 70.33 67.59 3nnk n THR 72 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3nnk h SER 73 N -3.04 0.60 0.97 3.42 0.02 -1.80 0.35 113.55 114.06 3nnk h SER 73 Ca -0.51 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3nnk h SER 73 Cb 1.30 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3nnk h SER 73 CO 0.36 0.21 0.00 -2.11 -1.14 0.00 0.00 176.83 174.15 3nnk n ARG 74 N -4.86 0.08 0.10 3.45 1.85 -1.26 -2.08 116.66 113.94 3nnk n ARG 74 Ca 0.20 0.16 -0.04 0.00 -1.00 0.00 0.00 57.85 57.17 3nnk n ARG 74 Cb 0.52 -1.62 0.15 0.00 -1.05 0.00 0.00 32.46 30.47 3nnk n ARG 74 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3nnk h ALA 75 N 2.69 0.93 -0.07 2.89 0.00 -1.21 -1.09 119.26 123.41 3nnk h ALA 75 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.17 3nnk h ALA 75 Cb 0.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3nnk h ALA 75 CO 0.00 0.70 -0.85 0.78 0.00 0.00 0.00 179.25 179.88 3nnk h GLY 76 N 1.47 0.62 0.94 0.00 0.00 -1.39 -0.55 103.07 104.15 3nnk h GLY 76 Ca -0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 3nnk h GLY 76 CO 0.09 0.85 -0.01 -2.22 0.00 0.00 0.00 176.54 175.25 3nnk h ILE 77 N 0.36 1.04 -0.75 2.60 2.04 -1.44 -2.52 117.51 118.85 3nnk h ILE 77 Ca -0.07 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 3nnk h ILE 77 Cb 1.47 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 3nnk h ILE 77 CO 0.16 0.04 0.25 -0.08 0.00 0.00 0.00 178.15 178.51 3nnk h GLU 78 N -0.08 1.14 -0.45 2.37 4.81 -1.23 -1.84 114.58 119.31 3nnk h GLU 78 Ca -0.00 -0.23 0.06 0.00 -0.13 0.00 0.00 59.36 59.06 3nnk h GLU 78 Cb 0.07 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3nnk h GLU 78 CO 0.00 0.96 0.13 0.00 -0.73 0.00 0.00 179.01 179.38 3nnk h ALA 79 N 1.16 0.52 -0.38 2.92 0.00 -0.98 -0.20 119.26 122.30 3nnk h ALA 79 Ca 0.24 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 3nnk h ALA 79 Cb 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3nnk h ALA 79 CO -0.01 -0.26 -0.18 0.82 0.00 0.00 0.00 179.25 179.61 3nnk h ILE 80 N 0.29 1.28 -0.30 0.00 2.04 -1.29 -2.88 117.51 116.65 3nnk h ILE 80 Ca 0.22 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.68 3nnk h ILE 80 Cb 0.24 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3nnk h ILE 80 CO -0.24 0.44 -0.15 -0.07 0.00 0.00 0.00 178.15 178.13 3nnk h LEU 81 N 0.60 0.64 -1.16 1.44 3.38 -0.94 -0.95 115.31 118.32 3nnk h LEU 81 Ca 0.08 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3nnk h LEU 81 Cb 0.73 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3nnk h LEU 81 CO 0.06 0.91 -0.17 0.58 0.09 0.00 0.00 178.44 179.90 3nnk h VAL 82 N 0.37 0.43 0.00 1.22 2.07 -1.14 -0.01 116.25 119.19 3nnk h VAL 82 Ca 0.07 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 3nnk h VAL 82 Cb 0.67 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3nnk h VAL 82 CO 0.04 0.17 -1.03 0.28 0.02 0.00 0.00 177.57 177.06 3nnk h SER 83 N 0.00 0.00 0.02 0.57 0.02 -1.31 -3.38 113.55 109.46 3nnk h SER 83 Ca -0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 3nnk h SER 83 Cb 0.70 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.17 3nnk h SER 83 CO 0.02 0.47 -2.38 0.00 -1.14 0.00 0.00 176.83 173.79 3nnk n ALA 84 N -2.31 1.48 -2.60 3.77 0.00 -0.38 -4.57 120.51 115.90 3nnk n ALA 84 Ca -0.04 -1.26 -0.40 0.00 0.00 0.00 0.00 53.44 51.74 3nnk n ALA 84 Cb 0.76 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 3nnk n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nnk s ILE 85 N -2.50 5.11 0.22 0.00 1.01 -0.03 -5.03 121.20 119.99 3nnk s ILE 85 Ca -0.16 0.64 -0.11 0.00 0.00 0.00 0.00 60.65 61.02 3nnk s ILE 85 Cb 0.07 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 3nnk s ILE 85 CO 0.78 0.07 0.57 -0.13 0.00 0.00 0.00 174.94 176.23 3nnk s ARG 86 N 2.20 3.86 0.15 2.79 3.00 -1.26 -4.76 118.95 124.93 3nnk s ARG 86 Ca 0.18 0.36 -0.33 0.00 0.00 0.00 0.00 55.73 55.94 3nnk s ARG 86 Cb -0.16 -2.68 -0.16 0.00 0.00 0.00 0.00 34.95 31.95 3nnk s ARG 86 CO 0.10 0.33 1.12 -2.30 0.00 0.00 0.00 175.30 174.55 3nnk n PRO 87 N 0.02 0.97 0.00 3.54 -0.02 -1.26 -1.38 135.00 136.88 3nnk n PRO 87 Ca -0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3nnk n PRO 87 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3nnk n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nnk n GLY 88 N 1.99 2.33 3.76 -1.23 0.00 0.73 -4.96 105.19 107.81 3nnk n GLY 88 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3nnk n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nnk s ASP 89 N -2.51 6.35 0.10 1.61 1.01 -0.48 -4.30 116.67 118.46 3nnk s ASP 89 Ca 0.00 2.99 -0.30 0.00 0.71 0.00 0.00 52.55 55.95 3nnk s ASP 89 Cb 0.00 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 3nnk s ASP 89 CO 0.00 -0.91 1.00 -0.54 0.21 0.00 0.00 175.17 174.93 3nnk s LYS 90 N -1.05 4.64 -0.05 8.23 1.02 -1.26 -1.52 119.74 129.75 3nnk s LYS 90 Ca 0.60 1.51 0.02 0.00 0.02 0.00 0.00 55.97 58.12 3nnk s LYS 90 Cb -0.48 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.47 3nnk s LYS 90 CO 0.53 0.12 -0.10 0.08 -0.92 0.00 0.00 175.35 175.07 3nnk s VAL 91 N 0.20 0.90 -0.14 3.17 1.01 -0.58 -1.76 120.40 123.19 3nnk s VAL 91 Ca 0.49 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3nnk s VAL 91 Cb -0.24 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3nnk s VAL 91 CO 0.30 0.29 -0.10 -0.22 0.00 0.00 0.00 175.10 175.37 3nnk s LEU 92 N 0.53 2.86 -0.22 3.92 2.96 -0.15 -0.69 118.68 127.88 3nnk s LEU 92 Ca -0.10 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3nnk s LEU 92 Cb -0.13 -1.66 0.06 0.00 0.50 0.00 0.00 46.19 44.96 3nnk s LEU 92 CO 0.02 0.16 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.49 3nnk s VAL 93 N 0.39 1.24 -0.77 1.68 1.01 -0.47 -0.17 120.40 123.32 3nnk s VAL 93 Ca -0.09 -1.05 -0.26 0.00 0.00 0.00 0.00 61.98 60.59 3nnk s VAL 93 Cb -0.15 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3nnk s VAL 93 CO 0.05 -0.14 1.51 -2.84 0.00 0.00 0.00 175.10 173.68 3nnk s PRO 94 N 1.52 3.06 -0.21 2.72 0.02 -1.25 -2.43 135.00 138.44 3nnk s PRO 94 Ca -0.04 -0.17 -0.26 0.00 0.02 0.00 0.00 61.00 60.55 3nnk s PRO 94 Cb -0.18 -4.50 -0.01 0.00 0.02 0.00 0.00 34.50 29.83 3nnk s PRO 94 CO -0.07 -2.41 0.87 0.08 -0.33 0.00 0.00 177.00 175.14 3nnk s VAL 95 N 6.82 4.82 -0.02 3.83 1.01 0.34 -4.76 120.40 132.45 3nnk s VAL 95 Ca 0.48 1.69 0.03 0.00 0.00 0.00 0.00 61.98 64.18 3nnk s VAL 95 Cb -0.08 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.19 3nnk s VAL 95 CO 0.11 -0.05 0.87 2.22 0.00 0.00 0.00 175.10 178.25 3nnk n PHE 96 N 5.75 0.00 -4.03 5.22 1.16 -1.26 -3.02 117.46 121.27 3nnk n PHE 96 Ca 0.06 -0.35 0.03 0.00 -1.87 0.00 0.00 57.45 55.32 3nnk n PHE 96 Cb 0.48 -0.05 0.01 0.00 -1.61 0.00 0.00 39.48 38.30 3nnk n PHE 96 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3nnk n GLY 97 N -0.43 0.17 0.36 4.97 0.00 -1.26 -4.68 105.19 104.32 3nnk n GLY 97 Ca 0.03 -0.94 0.16 0.00 0.00 0.00 0.00 46.02 45.27 3nnk n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3nnk h ARG 98 N 0.00 0.62 0.00 1.61 1.12 -1.95 -0.33 114.38 115.45 3nnk h ARG 98 Ca -0.13 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.70 3nnk h ARG 98 Cb 0.79 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 3nnk h ARG 98 CO 0.20 0.41 0.00 1.19 -3.11 0.00 0.00 179.97 178.65 3nnk n PHE 99 N -4.80 0.00 0.03 2.20 3.72 -1.26 -1.74 117.46 115.62 3nnk n PHE 99 Ca 0.25 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.55 3nnk n PHE 99 Cb 0.69 -0.44 0.02 0.00 -0.94 0.00 0.00 39.48 38.81 3nnk n PHE 99 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3nnk h GLY 100 N 4.64 0.53 2.00 1.37 0.00 -1.41 -3.05 103.07 107.15 3nnk h GLY 100 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 3nnk h GLY 100 CO 0.00 0.63 -0.18 0.45 0.00 0.00 0.00 176.54 177.44 3nnk h HIS 101 N 0.34 0.00 -0.07 5.60 3.86 -1.30 -2.81 115.15 120.77 3nnk h HIS 101 Ca -0.02 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.05 3nnk h HIS 101 Cb 1.27 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.74 3nnk h HIS 101 CO 0.05 0.18 -0.47 1.25 0.86 0.00 0.00 177.93 179.80 3nnk h LEU 102 N 0.00 0.54 -1.84 2.43 5.85 -1.50 -2.85 115.31 117.93 3nnk h LEU 102 Ca -0.00 -0.67 -0.00 0.00 0.84 0.00 0.00 57.88 58.05 3nnk h LEU 102 Cb 0.84 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3nnk h LEU 102 CO 0.02 1.12 0.05 -0.07 -0.34 0.00 0.00 178.44 179.23 3nnk h LEU 103 N 0.00 0.14 -0.30 2.25 3.38 -1.49 -2.13 115.31 117.16 3nnk h LEU 103 Ca -0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3nnk h LEU 103 Cb 1.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3nnk h LEU 103 CO 0.10 0.12 -0.20 0.00 0.09 0.00 0.00 178.44 178.55 3nnk h GLU 105 N 0.41 0.52 -0.45 0.00 4.39 -1.22 -1.37 114.58 116.86 3nnk h GLU 105 Ca 0.06 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.51 3nnk h GLU 105 Cb 0.74 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 3nnk h GLU 105 CO 0.05 0.87 0.24 0.82 -1.16 0.00 0.00 179.01 179.83 3nnk h ILE 106 N 0.19 0.99 -0.07 3.13 2.04 -1.50 -1.58 117.51 120.72 3nnk h ILE 106 Ca 0.03 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3nnk h ILE 106 Cb 0.78 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3nnk h ILE 106 CO 0.06 0.09 -0.16 0.00 0.00 0.00 0.00 178.15 178.13 3nnk h ALA 107 N 1.22 1.61 -0.42 1.87 0.00 -1.45 -2.14 119.26 119.95 3nnk h ALA 107 Ca 0.19 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3nnk h ALA 107 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3nnk h ALA 107 CO -0.12 0.29 -0.11 -0.09 0.00 0.00 0.00 179.25 179.22 3nnk h ARG 108 N 0.10 0.81 0.00 0.00 2.43 -0.52 -2.30 114.38 114.90 3nnk h ARG 108 Ca 0.02 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 3nnk h ARG 108 Cb 0.35 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3nnk h ARG 108 CO 0.02 0.94 -0.18 0.00 -1.51 0.00 0.00 179.97 179.24 3nnk h ARG 109 N 0.63 0.00 0.00 0.20 2.47 -0.98 -0.33 114.38 116.38 3nnk h ARG 109 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3nnk h ARG 109 Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 3nnk h ARG 109 CO 0.04 0.18 0.00 0.00 0.56 0.00 0.00 179.97 180.75 3nnk n ARG 111 N -1.23 -1.26 -2.54 0.00 1.74 -0.13 -4.17 116.66 109.07 3nnk n ARG 111 Ca 0.15 0.59 -0.32 0.00 -0.77 0.00 0.00 57.85 57.50 3nnk n ARG 111 Cb 0.19 -4.75 -0.03 0.00 -1.02 0.00 0.00 32.46 26.84 3nnk n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk s ALA 112 N -2.66 3.14 -0.37 7.54 0.00 -0.89 -0.19 121.76 128.34 3nnk s ALA 112 Ca 0.03 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3nnk s ALA 112 Cb -0.01 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.12 3nnk s ALA 112 CO 0.03 -0.16 1.07 -2.00 0.00 0.00 0.00 175.76 174.70 3nnk s GLU 113 N -3.98 3.95 -0.36 0.00 2.12 -0.58 -4.68 118.70 115.18 3nnk s GLU 113 Ca 0.57 0.88 -0.13 0.00 0.36 0.00 0.00 54.97 56.65 3nnk s GLU 113 Cb -0.10 -3.79 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 3nnk s GLU 113 CO 0.31 -1.03 0.25 0.08 -0.54 0.00 0.00 175.26 174.33 3nnk s VAL 114 N 3.83 5.25 0.00 3.70 1.01 -1.26 -1.53 120.40 131.40 3nnk s VAL 114 Ca 0.45 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3nnk s VAL 114 Cb -0.11 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3nnk s VAL 114 CO 0.20 -0.08 0.07 -1.00 0.00 0.00 0.00 175.10 174.29 3nnk s HIS 115 N 1.71 3.25 0.02 5.22 3.76 0.13 -5.01 115.29 124.38 3nnk s HIS 115 Ca 0.06 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.16 3nnk s HIS 115 Cb -0.18 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 3nnk s HIS 115 CO 0.10 0.54 -0.05 0.95 -0.85 0.00 0.00 174.74 175.43 3nnk s THR 116 N -1.19 0.33 0.15 1.30 -4.23 -1.26 -1.36 115.64 109.37 3nnk s THR 116 Ca 0.23 -0.68 0.10 0.00 -1.18 0.00 0.00 61.69 60.16 3nnk s THR 116 Cb -0.12 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 3nnk s THR 116 CO 0.14 -0.24 -0.24 0.27 -0.54 0.00 0.00 174.62 174.01 3nnk s ILE 117 N -0.90 2.15 -0.01 2.99 -4.36 -1.02 -4.97 121.20 115.08 3nnk s ILE 117 Ca -0.07 -1.82 0.04 0.00 -0.26 0.00 0.00 60.65 58.54 3nnk s ILE 117 Cb -0.07 -1.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.69 3nnk s ILE 117 CO -0.00 -0.04 -0.14 -1.61 0.24 0.00 0.00 174.94 173.39 3nnk s GLU 118 N -2.30 1.11 0.22 0.37 2.02 -1.26 -0.51 118.70 118.36 3nnk s GLU 118 Ca 0.15 -0.52 0.11 0.00 0.02 0.00 0.00 54.97 54.73 3nnk s GLU 118 Cb -0.09 -1.08 -0.05 0.00 0.10 0.00 0.00 34.13 33.01 3nnk s GLU 118 CO 0.07 0.29 -0.22 0.14 0.02 0.00 0.00 175.26 175.57 3nnk s VAL 119 N -0.36 2.29 0.82 2.63 -7.23 -1.17 -5.02 120.40 112.36 3nnk s VAL 119 Ca 0.05 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 3nnk s VAL 119 Cb -0.06 -2.13 0.09 0.00 0.56 0.00 0.00 36.38 34.84 3nnk s VAL 119 CO -0.00 -0.25 1.10 -2.16 -0.31 0.00 0.00 175.10 173.48 3nnk s PRO 120 N -2.97 1.82 -0.07 4.82 0.04 -1.26 -4.67 135.00 132.71 3nnk s PRO 120 Ca 0.23 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.15 3nnk s PRO 120 Cb -0.06 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 3nnk s PRO 120 CO 0.11 -1.93 0.73 -1.58 0.04 0.00 0.00 177.00 174.36 3nnk s TRP 121 N -2.87 3.57 -0.49 0.56 0.52 -1.26 -0.09 118.94 118.87 3nnk s TRP 121 Ca 0.62 1.27 -0.00 0.00 0.02 0.00 0.00 56.10 58.01 3nnk s TRP 121 Cb -0.18 -2.84 0.13 0.00 -1.15 0.00 0.00 33.47 29.43 3nnk s TRP 121 CO 0.57 0.05 0.27 0.20 0.02 0.00 0.00 176.95 178.05 3nnk s GLY 122 N 0.85 2.24 0.46 0.98 0.00 -1.26 -4.98 107.32 105.61 3nnk s GLY 122 Ca 0.38 -2.92 0.00 0.00 0.00 0.00 0.00 44.72 42.18 3nnk s GLY 122 CO 0.18 1.03 0.02 1.18 0.00 0.00 0.00 173.10 175.51 3nnk n GLU 123 N 3.88 0.88 -4.22 2.90 1.02 0.87 -2.63 120.64 123.34 3nnk n GLU 123 Ca 0.04 -3.34 -0.14 0.00 -0.02 0.00 0.00 57.16 53.70 3nnk n GLU 123 Cb 0.38 0.87 -0.10 0.00 -0.02 0.00 0.00 31.44 32.57 3nnk n GLU 123 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3nnk s VAL 124 N -2.65 1.03 0.26 2.62 0.11 -1.26 -4.89 120.40 115.61 3nnk s VAL 124 Ca 0.01 -1.93 -0.22 0.00 -2.93 0.00 0.00 61.98 56.92 3nnk s VAL 124 Cb -0.00 -1.69 -0.09 0.00 -1.53 0.00 0.00 36.38 33.07 3nnk s VAL 124 CO 0.01 -0.72 0.79 -0.36 -3.33 0.00 0.00 175.10 171.49 3nnk s PHE 125 N -3.15 3.65 0.09 1.54 0.08 -1.26 -5.01 117.98 113.92 3nnk s PHE 125 Ca 0.13 1.51 -0.16 0.00 0.12 0.00 0.00 56.93 58.53 3nnk s PHE 125 Cb 0.02 -2.71 -0.06 0.00 -0.57 0.00 0.00 43.02 39.69 3nnk s PHE 125 CO -0.01 0.29 0.51 0.99 -0.10 0.00 0.00 175.22 176.90 3nnk s THR 126 N -1.57 4.88 0.40 0.64 2.01 -1.26 -4.80 115.64 115.94 3nnk s THR 126 Ca 0.46 0.92 0.16 0.00 0.31 0.00 0.00 61.69 63.53 3nnk s THR 126 Cb -0.17 -3.77 0.37 0.00 0.01 0.00 0.00 72.50 68.94 3nnk s THR 126 CO 0.22 0.42 1.83 -0.65 -0.69 0.00 0.00 174.62 175.74 3nnk h PRO 127 N 4.13 0.46 -0.63 4.92 0.11 -1.96 -1.52 132.00 137.50 3nnk h PRO 127 Ca -0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3nnk h PRO 127 Cb 1.21 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3nnk h PRO 127 CO 0.64 0.30 0.22 -0.44 -0.21 0.00 0.00 178.00 178.51 3nnk h ASP 128 N 0.47 0.87 -0.50 -2.05 3.32 -1.99 -2.31 116.42 114.22 3nnk h ASP 128 Ca 0.51 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.35 3nnk h ASP 128 Cb 1.17 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3nnk h ASP 128 CO -0.23 0.80 0.07 1.56 -1.72 0.00 0.00 179.24 179.72 3nnk h GLN 129 N 0.91 0.90 0.02 3.56 4.20 -1.68 -2.31 115.11 120.70 3nnk h GLN 129 Ca 0.21 -0.23 -0.21 0.00 0.06 0.00 0.00 58.65 58.49 3nnk h GLN 129 Cb 0.23 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3nnk h GLN 129 CO -0.01 0.85 -0.97 -0.39 -0.67 0.00 0.00 178.83 177.64 3nnk h VAL 130 N 0.85 1.64 -0.28 -0.54 -1.51 -1.41 -3.05 116.25 111.95 3nnk h VAL 130 Ca 0.17 -3.16 -0.13 0.00 -1.23 0.00 0.00 66.70 62.35 3nnk h VAL 130 Cb 0.41 2.74 -0.01 0.00 -2.13 0.00 0.00 31.29 32.30 3nnk h VAL 130 CO 0.01 0.91 -0.38 -0.08 -1.23 0.00 0.00 177.57 176.80 3nnk h GLU 131 N 0.02 0.64 -0.31 5.19 4.81 -1.29 0.21 114.58 123.85 3nnk h GLU 131 Ca -0.03 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3nnk h GLU 131 Cb 1.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 3nnk h GLU 131 CO 0.13 0.92 0.17 -0.44 -0.73 0.00 0.00 179.01 179.06 3nnk h ASP 132 N 0.53 0.39 -0.69 1.04 3.45 -1.48 0.41 116.42 120.07 3nnk h ASP 132 Ca 0.05 -0.09 -0.07 0.00 0.43 0.00 0.00 57.03 57.35 3nnk h ASP 132 Cb 0.90 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.54 3nnk h ASP 132 CO 0.08 0.36 0.15 0.00 -1.57 0.00 0.00 179.24 178.26 3nnk h ALA 133 N 1.04 0.91 -0.40 3.45 0.00 -1.40 0.26 119.26 123.12 3nnk h ALA 133 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 133 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3nnk h ALA 133 CO -0.02 0.65 0.23 0.28 0.00 0.00 0.00 179.25 180.39 3nnk h VAL 134 N 1.05 1.15 -0.95 0.00 2.07 -0.87 -1.96 116.25 116.73 3nnk h VAL 134 Ca 0.21 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3nnk h VAL 134 Cb 0.40 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3nnk h VAL 134 CO 0.01 0.15 0.61 0.11 0.02 0.00 0.00 177.57 178.46 3nnk h LYS 135 N 0.52 1.27 0.25 1.57 1.57 -0.52 -1.80 116.57 119.43 3nnk h LYS 135 Ca 0.14 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3nnk h LYS 135 Cb 0.04 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.08 3nnk h LYS 135 CO -0.02 0.86 -0.12 0.00 -0.57 0.00 0.00 179.45 179.60 3nnk h ARG 136 N 1.30 -0.33 0.00 3.15 3.08 -0.79 -3.38 114.38 117.42 3nnk h ARG 136 Ca 0.35 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3nnk h ARG 136 Cb -0.11 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3nnk h ARG 136 CO -0.07 -0.22 -0.43 0.44 -1.07 0.00 0.00 179.97 178.62 3nnk n ILE 137 N -3.55 0.11 -3.35 2.04 -0.00 -0.75 -5.00 119.36 108.87 3nnk n ILE 137 Ca -0.04 -0.08 -0.10 0.00 -0.00 0.00 0.00 62.75 62.53 3nnk n ILE 137 Cb 0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.77 3nnk n ILE 137 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3nnk n ARG 138 N -1.68 -1.41 -2.21 6.28 3.00 -0.68 -4.96 116.66 115.00 3nnk n ARG 138 Ca 0.05 1.18 -0.29 0.00 -0.01 0.00 0.00 57.85 58.78 3nnk n ARG 138 Cb 0.37 -4.50 0.01 0.00 0.00 0.00 0.00 32.46 28.34 3nnk n ARG 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3nnk s PRO 139 N -3.84 3.38 -0.08 5.56 0.04 -1.26 -4.92 135.00 133.87 3nnk s PRO 139 Ca 0.03 0.41 0.02 0.00 0.04 0.00 0.00 61.00 61.51 3nnk s PRO 139 Cb -0.01 -2.20 -0.25 0.00 0.04 0.00 0.00 34.50 32.08 3nnk s PRO 139 CO 0.81 -0.53 0.52 -2.13 0.04 0.00 0.00 177.00 175.71 3nnk n ARG 140 N -2.59 0.70 -4.53 4.56 0.63 -0.72 -4.63 116.66 110.07 3nnk n ARG 140 Ca 0.04 0.28 -0.24 0.00 -0.92 0.00 0.00 57.85 57.02 3nnk n ARG 140 Cb 0.55 -1.75 -0.16 0.00 0.45 0.00 0.00 32.46 31.54 3nnk n ARG 140 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3nnk s LEU 141 N -6.60 1.63 -0.38 6.15 2.01 -1.22 -0.72 118.68 119.55 3nnk s LEU 141 Ca -0.14 -0.27 -0.14 0.00 0.01 0.00 0.00 54.13 53.59 3nnk s LEU 141 Cb 0.07 -0.76 0.00 0.00 0.01 0.00 0.00 46.19 45.51 3nnk s LEU 141 CO 0.80 0.03 0.30 -0.22 1.01 0.00 0.00 176.35 178.27 3nnk s LEU 142 N 0.61 4.78 -0.36 1.79 2.96 0.72 -0.98 118.68 128.21 3nnk s LEU 142 Ca -0.13 -0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 53.07 3nnk s LEU 142 Cb -0.15 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.37 3nnk s LEU 142 CO 0.03 -0.37 0.18 -0.76 -1.32 0.00 0.00 176.35 174.11 3nnk s LEU 143 N 1.78 4.53 0.22 -0.68 1.43 0.76 -1.90 118.68 124.83 3nnk s LEU 143 Ca 0.07 -0.93 0.11 0.00 -1.03 0.00 0.00 54.13 52.36 3nnk s LEU 143 Cb -0.18 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 3nnk s LEU 143 CO 0.11 -0.34 -0.22 0.42 0.23 0.00 0.00 176.35 176.55 3nnk s THR 144 N 1.54 2.36 -0.13 5.49 -4.23 -0.85 -3.80 115.64 116.01 3nnk s THR 144 Ca 0.02 -2.16 -0.06 0.00 -1.18 0.00 0.00 61.69 58.30 3nnk s THR 144 Cb -0.19 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 3nnk s THR 144 CO 0.06 -0.24 0.09 -0.69 -0.54 0.00 0.00 174.62 173.30 3nnk s VAL 145 N -2.01 5.02 -0.08 2.29 1.01 -1.26 -0.46 120.40 124.90 3nnk s VAL 145 Ca 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 3nnk s VAL 145 Cb -0.07 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 3nnk s VAL 145 CO 0.11 0.56 -0.00 -0.61 0.00 0.00 0.00 175.10 175.16 3nnk h GLN 146 N 5.61 0.00 -4.75 2.72 4.15 -1.52 -3.42 115.11 117.90 3nnk h GLN 146 Ca -0.48 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.25 3nnk h GLN 146 Cb 1.20 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 28.58 3nnk h GLN 146 CO 0.62 0.00 -0.66 0.20 -1.93 0.00 0.00 178.83 177.06 3nnk s GLY 147 N -3.30 1.78 -0.54 2.39 0.00 -1.26 -0.08 107.32 106.31 3nnk s GLY 147 Ca -0.00 -1.71 -0.16 0.00 0.00 0.00 0.00 44.72 42.85 3nnk s GLY 147 CO 0.00 0.70 0.52 -0.35 0.00 0.00 0.00 173.10 173.98 3nnk s ASP 148 N 1.33 6.19 0.67 1.64 -1.08 -0.88 -4.53 116.67 120.00 3nnk s ASP 148 Ca -0.03 -1.68 0.44 0.00 -0.52 0.00 0.00 52.55 50.76 3nnk s ASP 148 Cb -0.19 -2.22 2.40 0.00 -1.46 0.00 0.00 42.92 41.44 3nnk s ASP 148 CO 0.00 -0.88 2.35 0.71 0.52 0.00 0.00 175.17 177.88 3nnk h THR 149 N 5.88 0.01 0.00 1.71 1.35 -1.94 -0.62 112.91 119.30 3nnk h THR 149 Ca -0.30 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.49 3nnk h THR 149 Cb 1.10 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 3nnk h THR 149 CO 1.03 0.00 -0.33 0.77 -0.25 0.00 0.00 175.52 176.75 3nnk h SER 150 N 0.00 0.00 -0.00 5.36 4.64 -1.96 -3.25 113.55 118.34 3nnk h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nnk h SER 150 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3nnk h SER 150 CO -0.00 0.33 -0.06 0.35 -0.87 0.00 0.00 176.83 176.58 3nnk n THR 151 N -3.80 0.00 -1.15 2.95 -2.24 -0.78 -4.94 114.28 104.31 3nnk n THR 151 Ca -0.01 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 3nnk n THR 151 Cb 0.41 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 3nnk n THR 151 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3nnk n THR 152 N -0.96 0.00 -3.45 4.28 -2.24 -0.31 -4.79 114.28 106.81 3nnk n THR 152 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 3nnk n THR 152 Cb 0.02 -0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 67.23 3nnk n THR 152 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 153 N -2.01 4.17 -0.34 -0.78 -1.94 -1.20 -0.97 119.30 116.22 3nnk s MET 153 Ca 0.00 0.32 -0.08 0.00 -1.71 0.00 0.00 55.69 54.21 3nnk s MET 153 Cb 0.00 -3.36 0.03 0.00 2.01 0.00 0.00 34.83 33.51 3nnk s MET 153 CO 0.00 0.36 0.14 -1.17 -0.01 0.00 0.00 175.02 174.34 3nnk s LEU 154 N 0.02 4.40 0.02 -0.03 1.98 0.12 -2.07 118.68 123.12 3nnk s LEU 154 Ca 0.22 -0.99 -0.30 0.00 -2.89 0.00 0.00 54.13 50.17 3nnk s LEU 154 Cb -0.15 -1.94 -0.05 0.00 0.66 0.00 0.00 46.19 44.71 3nnk s LEU 154 CO 0.09 -0.32 1.29 -1.58 -1.89 0.00 0.00 176.35 173.94 3nnk s GLN 155 N 1.49 4.35 -0.01 1.98 2.00 0.88 -4.81 119.66 125.54 3nnk s GLN 155 Ca 0.01 1.85 -0.30 0.00 -2.00 0.00 0.00 55.36 54.92 3nnk s GLN 155 Cb -0.19 -3.46 -0.06 0.00 0.80 0.00 0.00 33.01 30.10 3nnk s GLN 155 CO 0.04 -0.44 1.63 -2.14 -0.50 0.00 0.00 175.29 173.89 3nnk s PRO 156 N 1.81 4.20 -0.00 1.67 0.02 -1.26 -4.86 135.00 136.58 3nnk s PRO 156 Ca 0.61 2.21 0.16 0.00 0.02 0.00 0.00 61.00 64.00 3nnk s PRO 156 Cb -0.30 -3.84 -0.19 0.00 0.02 0.00 0.00 34.50 30.19 3nnk s PRO 156 CO 0.27 -0.79 0.68 1.28 -0.33 0.00 0.00 177.00 178.11 3nnk n LEU 157 N 6.53 0.73 -0.25 -5.54 4.32 -1.26 -4.69 117.00 116.84 3nnk n LEU 157 Ca 0.16 -0.47 0.02 0.00 -0.02 0.00 0.00 56.01 55.71 3nnk n LEU 157 Cb 0.42 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.36 3nnk n LEU 157 CO 0.62 0.18 1.06 0.00 -1.22 0.00 0.00 177.39 178.04 3nnk h ALA 158 N 2.29 0.99 -0.01 -1.18 0.00 -1.91 -2.81 119.26 116.62 3nnk h ALA 158 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 158 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3nnk h ALA 158 CO 0.00 -0.06 -0.35 0.39 0.00 0.00 0.00 179.25 179.23 3nnk n GLU 159 N -4.87 0.89 0.09 0.00 1.02 -1.26 -4.32 120.64 112.19 3nnk n GLU 159 Ca 0.11 -0.61 -0.14 0.00 -0.02 0.00 0.00 57.16 56.51 3nnk n GLU 159 Cb 0.28 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.08 3nnk n GLU 159 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3nnk h LEU 160 N 1.49 0.31 -1.15 -4.62 4.07 -1.80 -3.25 115.31 110.36 3nnk h LEU 160 Ca 0.00 -0.34 -0.08 0.00 0.08 0.00 0.00 57.88 57.54 3nnk h LEU 160 Cb 0.58 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 3nnk h LEU 160 CO 0.00 1.27 -0.30 1.23 -1.08 0.00 0.00 178.44 179.55 3nnk h GLY 161 N 1.98 0.22 1.09 0.83 0.00 -1.68 -0.78 103.07 104.73 3nnk h GLY 161 Ca -0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 3nnk h GLY 161 CO 0.18 0.16 -0.23 -2.09 0.00 0.00 0.00 176.54 174.56 3nnk h GLU 162 N 0.18 0.95 -0.23 4.80 4.22 -1.79 -1.23 114.58 121.48 3nnk h GLU 162 Ca 0.03 -0.42 -0.01 0.00 0.08 0.00 0.00 59.36 59.03 3nnk h GLU 162 Cb 0.63 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3nnk h GLU 162 CO 0.05 1.09 0.09 0.82 -2.18 0.00 0.00 179.01 178.87 3nnk h ILE 163 N 0.79 1.17 -0.16 2.32 2.04 -1.52 -2.60 117.51 119.56 3nnk h ILE 163 Ca 0.10 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3nnk h ILE 163 Cb 0.81 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3nnk h ILE 163 CO 0.07 0.17 0.06 0.00 0.00 0.00 0.00 178.15 178.45 3nnk h ARG 165 N 0.21 0.51 -0.54 0.00 2.43 -0.99 -0.70 114.38 115.30 3nnk h ARG 165 Ca 0.06 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3nnk h ARG 165 Cb 0.04 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3nnk h ARG 165 CO -0.01 0.84 0.35 0.00 -1.51 0.00 0.00 179.97 179.64 3nnk h ARG 166 N 0.19 0.71 -0.40 0.20 3.08 -1.21 -3.11 114.38 113.84 3nnk h ARG 166 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3nnk h ARG 166 Cb 0.74 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3nnk h ARG 166 CO 0.05 0.48 0.00 0.66 -1.07 0.00 0.00 179.97 180.09 3nnk n TYR 167 N -4.70 0.52 -3.80 3.04 4.01 -1.01 -4.95 117.16 110.26 3nnk n TYR 167 Ca 0.03 -0.26 -0.27 0.00 -0.16 0.00 0.00 57.90 57.24 3nnk n TYR 167 Cb 0.03 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.09 3nnk n TYR 167 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nnk n ASP 168 N 1.11 -3.99 -4.67 7.72 4.64 -0.61 -5.00 116.55 115.75 3nnk n ASP 168 Ca 0.19 -0.75 -0.33 0.00 -1.38 0.00 0.00 54.79 52.51 3nnk n ASP 168 Cb 0.50 -4.12 -0.09 0.00 -1.04 0.00 0.00 41.12 36.37 3nnk n ASP 168 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3nnk s ALA 169 N -3.40 3.25 -0.02 -1.67 0.00 -0.37 -4.94 121.76 114.62 3nnk s ALA 169 Ca 0.46 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 3nnk s ALA 169 Cb -0.23 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 3nnk s ALA 169 CO 0.81 0.63 0.94 -0.51 0.00 0.00 0.00 175.76 177.63 3nnk s LEU 170 N -1.43 4.35 -0.42 0.00 1.43 0.10 -4.53 118.68 118.18 3nnk s LEU 170 Ca 0.18 1.58 -0.14 0.00 -1.03 0.00 0.00 54.13 54.72 3nnk s LEU 170 Cb -0.11 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.65 3nnk s LEU 170 CO 0.09 -0.25 0.30 0.12 0.23 0.00 0.00 176.35 176.84 3nnk s PHE 171 N 1.05 3.25 0.08 0.29 5.36 -1.26 -0.20 117.98 126.55 3nnk s PHE 171 Ca 0.50 -0.81 0.08 0.00 -0.96 0.00 0.00 56.93 55.73 3nnk s PHE 171 Cb -0.20 -2.73 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 3nnk s PHE 171 CO 0.26 -0.67 -0.18 -0.47 -1.46 0.00 0.00 175.22 172.70 3nnk s TYR 172 N 1.63 2.55 0.02 10.12 6.14 -0.80 0.08 117.35 137.09 3nnk s TYR 172 Ca 0.04 -0.26 0.01 0.00 0.64 0.00 0.00 57.07 57.50 3nnk s TYR 172 Cb -0.21 -1.40 -0.01 0.00 0.42 0.00 0.00 41.96 40.76 3nnk s TYR 172 CO 0.08 0.33 -0.03 -0.08 0.64 0.00 0.00 175.55 176.48 3nnk s THR 173 N -1.04 0.20 -0.47 4.34 -1.32 -0.72 -2.00 115.64 114.62 3nnk s THR 173 Ca 0.16 -0.62 -0.19 0.00 -1.21 0.00 0.00 61.69 59.84 3nnk s THR 173 Cb -0.11 -0.27 0.04 0.00 -1.51 0.00 0.00 72.50 70.65 3nnk s THR 173 CO 0.08 -0.27 0.59 -0.62 -2.21 0.00 0.00 174.62 172.19 3nnk s ASP 174 N -0.93 6.24 -0.16 8.08 2.15 0.39 -2.97 116.67 129.48 3nnk s ASP 174 Ca -0.08 -0.71 0.17 0.00 0.43 0.00 0.00 52.55 52.35 3nnk s ASP 174 Cb -0.06 -2.28 0.46 0.00 -0.30 0.00 0.00 42.92 40.73 3nnk s ASP 174 CO -0.00 -0.80 1.35 0.00 -0.17 0.00 0.00 175.17 175.55 3nnk n ALA 175 N 6.08 2.79 -0.35 3.66 0.00 -0.54 -1.30 120.51 130.85 3nnk n ALA 175 Ca -0.05 -2.28 0.07 0.00 0.00 0.00 0.00 53.44 51.17 3nnk n ALA 175 Cb 0.46 -0.62 0.23 0.00 0.00 0.00 0.00 19.45 19.52 3nnk n ALA 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3nnk h THR 176 N 1.44 0.92 0.02 0.00 1.35 -1.85 0.32 112.91 115.11 3nnk h THR 176 Ca 0.00 -0.33 -0.25 0.00 -0.55 0.00 0.00 66.41 65.28 3nnk h THR 176 Cb 1.30 -0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 3nnk h THR 176 CO 0.16 0.18 -1.26 0.00 -0.25 0.00 0.00 175.52 174.35 3nnk h ALA 177 N 1.53 0.43 0.02 6.62 0.00 -1.86 -3.37 119.26 122.64 3nnk h ALA 177 Ca 0.49 -1.08 -0.33 0.00 0.00 0.00 0.00 54.91 53.99 3nnk h ALA 177 Cb 0.47 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3nnk h ALA 177 CO -0.26 1.31 -1.94 -1.13 0.00 0.00 0.00 179.25 177.22 3nnk n SER 178 N -3.30 0.98 -4.63 0.00 3.41 -0.89 -4.56 113.62 104.63 3nnk n SER 178 Ca -0.07 0.27 -0.49 0.00 -0.26 0.00 0.00 58.87 58.32 3nnk n SER 178 Cb 0.99 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 3nnk n SER 178 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3nnk n LEU 179 N -3.07 2.35 0.00 1.04 7.94 0.05 -0.97 117.00 124.35 3nnk n LEU 179 Ca -0.24 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 3nnk n LEU 179 Cb 1.07 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.71 3nnk n LEU 179 CO 0.43 -0.72 0.00 0.61 -1.11 0.00 0.00 177.39 176.60 3nnk n GLY 180 N 2.76 2.92 0.01 -3.96 0.00 -1.26 -4.50 105.19 101.16 3nnk n GLY 180 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N -1.09 -0.60 3.27 -0.02 0.00 -0.81 -3.74 105.19 102.20 3nnk n GLY 181 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 3nnk n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nnk s ASN 182 N -3.54 2.07 0.45 1.61 0.01 -0.14 -4.61 114.94 110.79 3nnk s ASN 182 Ca -0.05 -0.92 -0.25 0.00 -0.71 0.00 0.00 52.86 50.94 3nnk s ASN 182 Cb 0.08 -0.07 -0.09 0.00 0.41 0.00 0.00 41.25 41.59 3nnk s ASN 182 CO 0.54 -0.20 1.31 -2.65 -1.51 0.00 0.00 177.10 174.59 3nnk n PRO 183 N 0.11 1.96 -3.22 -0.60 -0.02 -1.26 -4.69 135.00 127.27 3nnk n PRO 183 Ca -0.12 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 3nnk n PRO 183 Cb 0.59 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 3nnk n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3nnk s LEU 184 N -2.10 -1.16 -0.60 2.45 2.96 -1.26 -4.98 118.68 114.00 3nnk s LEU 184 Ca 0.62 0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 54.86 3nnk s LEU 184 Cb -0.48 1.72 0.15 0.00 0.50 0.00 0.00 46.19 48.09 3nnk s LEU 184 CO 0.57 -0.29 0.47 -1.61 -1.32 0.00 0.00 176.35 174.16 3nnk s GLU 185 N 2.73 2.74 0.10 1.98 0.41 -1.26 -4.43 118.70 120.97 3nnk s GLU 185 Ca 0.15 -2.17 -0.28 0.00 -0.41 0.00 0.00 54.97 52.26 3nnk s GLU 185 Cb -0.14 -3.97 -0.12 0.00 -1.78 0.00 0.00 34.13 28.12 3nnk s GLU 185 CO -0.22 -1.21 1.65 1.15 -0.49 0.00 0.00 175.26 176.15 3nnk h THR 186 N 5.56 0.50 0.01 3.63 2.02 -1.95 -1.86 112.91 120.83 3nnk h THR 186 Ca -0.08 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.85 3nnk h THR 186 Cb 1.03 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3nnk h THR 186 CO 0.79 0.00 -1.02 0.44 0.37 0.00 0.00 175.52 176.10 3nnk h ASP 187 N -0.51 0.77 0.58 4.18 3.32 -1.85 -1.90 116.42 121.01 3nnk h ASP 187 Ca -0.01 -0.62 -0.05 0.00 0.02 0.00 0.00 57.03 56.37 3nnk h ASP 187 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3nnk h ASP 187 CO -0.04 1.42 -0.26 -0.37 -1.72 0.00 0.00 179.24 178.27 3nnk h VAL 188 N 0.33 0.79 -0.72 -1.35 -1.51 -1.82 -2.83 116.25 109.14 3nnk h VAL 188 Ca -0.11 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 3nnk h VAL 188 Cb 1.66 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.46 3nnk h VAL 188 CO 0.19 0.25 0.00 0.79 -1.23 0.00 0.00 177.57 177.57 3nnk n TRP 189 N -3.67 1.17 -2.06 5.19 8.01 -0.70 -4.96 117.44 120.42 3nnk n TRP 189 Ca -0.01 -0.54 -0.17 0.00 -1.31 0.00 0.00 57.50 55.47 3nnk n TRP 189 Cb 0.38 -0.08 -0.03 0.00 -2.01 0.00 0.00 31.31 29.56 3nnk n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3nnk n GLY 190 N 1.51 0.32 3.76 6.99 0.00 -1.07 -3.46 105.19 113.23 3nnk n GLY 190 Ca 0.25 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3nnk n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 191 N -4.60 4.49 -0.19 0.99 1.43 -0.72 -4.74 118.68 115.34 3nnk s LEU 191 Ca 0.00 2.43 0.17 0.00 -1.03 0.00 0.00 54.13 55.70 3nnk s LEU 191 Cb 0.00 -3.65 -0.25 0.00 0.03 0.00 0.00 46.19 42.32 3nnk s LEU 191 CO 0.00 -0.30 0.10 0.47 0.23 0.00 0.00 176.35 176.84 3nnk n ASP 192 N 1.00 0.14 -3.72 2.29 8.00 0.11 -4.65 116.55 119.74 3nnk n ASP 192 Ca -0.01 0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 3nnk n ASP 192 Cb 0.44 0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 42.30 3nnk n ASP 192 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk s ALA 193 N -2.50 -0.99 -0.02 2.24 0.00 -1.00 -0.57 121.76 118.92 3nnk s ALA 193 Ca -0.11 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.19 3nnk s ALA 193 Cb 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3nnk s ALA 193 CO 0.82 -0.23 -0.07 0.08 0.00 0.00 0.00 175.76 176.36 3nnk s VAL 194 N 0.87 0.65 0.03 0.00 1.01 -0.69 -1.76 120.40 120.51 3nnk s VAL 194 Ca -0.05 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.70 3nnk s VAL 194 Cb -0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3nnk s VAL 194 CO -0.07 0.21 -0.20 -0.94 0.00 0.00 0.00 175.10 174.10 3nnk s SER 195 N 0.18 2.43 0.00 3.32 1.04 -1.16 -0.62 113.70 118.89 3nnk s SER 195 Ca -0.02 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3nnk s SER 195 Cb -0.07 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3nnk s SER 195 CO 0.00 0.18 0.00 0.00 0.98 0.00 0.00 173.24 174.40 3nnk n ALA 196 N 2.01 0.00 -2.86 5.32 0.00 0.70 -1.47 120.51 124.21 3nnk n ALA 196 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 3nnk n ALA 196 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 3nnk n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nnk s GLY 197 N -0.91 1.05 -0.21 0.00 0.00 -1.26 -3.83 107.32 102.16 3nnk s GLY 197 Ca 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.41 3nnk s GLY 197 CO 0.00 -0.92 -0.02 1.03 0.00 0.00 0.00 173.10 173.19 3nnk n MET 198 N -0.42 0.68 -0.16 2.90 0.00 -1.25 -4.68 117.12 114.19 3nnk n MET 198 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.92 3nnk n MET 198 Cb 0.63 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 32.25 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3nnk n GLN 199 N -3.48 0.70 0.00 0.03 0.00 -1.23 -1.43 117.38 111.97 3nnk n GLN 199 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.59 3nnk n GLN 199 Cb 0.98 -1.15 0.00 0.00 0.00 0.00 0.00 30.24 30.07 3nnk n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3nnk n LEU 202 N -1.00 2.63 -1.94 0.00 4.32 -1.19 -3.94 117.00 115.89 3nnk n LEU 202 Ca 0.00 0.15 -0.02 0.00 -0.02 0.00 0.00 56.01 56.13 3nnk n LEU 202 Cb 0.00 -1.05 0.01 0.00 -1.62 0.00 0.00 43.42 40.76 3nnk n LEU 202 CO 0.00 0.82 0.06 0.61 -1.22 0.00 0.00 177.39 177.66 3nnk n GLY 203 N 1.99 -0.15 0.00 -0.72 0.00 -0.52 -4.73 105.19 101.06 3nnk n GLY 203 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -1.30 0.66 3.86 -0.02 0.00 -1.26 -2.38 105.19 104.74 3nnk n GLY 204 Ca -0.01 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N 0.00 3.85 0.68 1.61 0.04 -1.26 -3.51 135.00 136.41 3nnk s PRO 205 Ca 0.00 0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.18 3nnk s PRO 205 Cb 0.00 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.56 3nnk s PRO 205 CO 0.00 0.54 1.22 -1.54 0.04 0.00 0.00 177.00 177.26 3nnk s SER 206 N -1.70 4.55 0.00 6.66 1.04 -1.26 -4.45 113.70 118.54 3nnk s SER 206 Ca 0.34 2.42 0.00 0.00 0.48 0.00 0.00 55.95 59.19 3nnk s SER 206 Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3nnk s SER 206 CO 0.18 -2.02 0.00 0.61 0.98 0.00 0.00 173.24 172.99 3nnk n GLY 207 N 0.51 -0.57 2.97 7.32 0.00 -1.26 -4.93 105.19 109.24 3nnk n GLY 207 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3nnk n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nnk s THR 208 N -0.32 0.02 -0.31 2.61 2.01 -0.84 -1.62 115.64 117.19 3nnk s THR 208 Ca 0.00 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.85 3nnk s THR 208 Cb 0.00 -0.17 0.09 0.00 0.01 0.00 0.00 72.50 72.44 3nnk s THR 208 CO 0.00 -0.09 0.05 -0.55 -0.69 0.00 0.00 174.62 173.34 3nnk s SER 209 N -0.27 4.35 0.14 3.53 0.15 -0.65 -3.90 113.70 117.05 3nnk s SER 209 Ca -0.03 -1.81 -0.31 0.00 0.70 0.00 0.00 55.95 54.49 3nnk s SER 209 Cb -0.02 -1.26 -0.09 0.00 -1.71 0.00 0.00 66.02 62.93 3nnk s SER 209 CO 0.00 -0.37 1.52 -2.84 1.20 0.00 0.00 173.24 172.75 3nnk s PRO 210 N 1.26 4.24 0.09 5.44 0.02 -1.25 -1.29 135.00 143.52 3nnk s PRO 210 Ca 0.08 2.27 0.07 0.00 0.02 0.00 0.00 61.00 63.44 3nnk s PRO 210 Cb -0.18 -3.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.07 3nnk s PRO 210 CO -0.15 -0.57 -0.18 0.96 -0.33 0.00 0.00 177.00 176.73 3nnk s ILE 211 N 1.30 1.50 0.00 2.83 -4.36 -0.69 -0.22 121.20 121.57 3nnk s ILE 211 Ca 0.69 -1.47 0.04 0.00 -0.26 0.00 0.00 60.65 59.64 3nnk s ILE 211 Cb -0.41 -1.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 3nnk s ILE 211 CO 0.31 -0.13 -0.12 0.28 0.24 0.00 0.00 174.94 175.52 3nnk s THR 212 N -1.23 0.95 -0.08 8.37 -1.32 0.21 -1.56 115.64 120.98 3nnk s THR 212 Ca 0.04 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 3nnk s THR 212 Cb -0.10 -0.81 0.02 0.00 -1.51 0.00 0.00 72.50 70.10 3nnk s THR 212 CO 0.04 0.20 -0.07 -0.76 -2.21 0.00 0.00 174.62 171.82 3nnk s LEU 213 N -0.47 1.23 0.86 9.08 1.43 -0.29 -1.70 118.68 128.82 3nnk s LEU 213 Ca 0.04 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 3nnk s LEU 213 Cb -0.05 -0.67 0.10 0.00 0.03 0.00 0.00 46.19 45.60 3nnk s LEU 213 CO -0.00 -0.08 1.10 -0.94 0.23 0.00 0.00 176.35 176.66 3nnk s SER 214 N 1.30 3.93 0.39 2.29 1.04 0.27 -4.25 113.70 118.66 3nnk s SER 214 Ca -0.04 1.29 0.10 0.00 0.48 0.00 0.00 55.95 57.78 3nnk s SER 214 Cb -0.14 -1.98 0.88 0.00 0.10 0.00 0.00 66.02 64.89 3nnk s SER 214 CO -0.03 -2.33 1.94 0.00 0.98 0.00 0.00 173.24 173.81 3nnk h ALA 215 N -1.34 1.87 -0.29 5.32 0.00 -1.95 -1.02 119.26 121.87 3nnk h ALA 215 Ca -0.49 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 3nnk h ALA 215 Cb 1.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3nnk h ALA 215 CO 0.58 -0.03 -0.17 -0.09 0.00 0.00 0.00 179.25 179.54 3nnk h ARG 216 N 0.60 0.51 -0.06 0.00 2.43 -1.92 -2.95 114.38 112.99 3nnk h ARG 216 Ca 0.34 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3nnk h ARG 216 Cb 0.51 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3nnk h ARG 216 CO -0.12 0.67 -0.33 0.52 -1.51 0.00 0.00 179.97 179.20 3nnk h MET 217 N 0.47 0.32 -0.88 0.20 2.86 -1.47 -3.15 114.93 113.28 3nnk h MET 217 Ca 0.08 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3nnk h MET 217 Cb 0.56 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 3nnk h MET 217 CO 0.04 0.92 0.58 1.05 1.06 0.00 0.00 176.91 180.56 3nnk h GLU 218 N -0.19 1.10 -0.17 1.72 4.11 -1.34 -0.64 114.58 119.17 3nnk h GLU 218 Ca -0.02 -0.07 0.02 0.00 0.07 0.00 0.00 59.36 59.36 3nnk h GLU 218 Cb 0.99 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3nnk h GLU 218 CO 0.07 0.73 0.02 1.49 0.07 0.00 0.00 179.01 181.38 3nnk h GLU 219 N 1.13 0.08 -0.82 1.06 4.81 -1.62 0.40 114.58 119.62 3nnk h GLU 219 Ca 0.34 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 3nnk h GLU 219 Cb -0.04 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3nnk h GLU 219 CO -0.09 0.05 0.44 0.00 -0.73 0.00 0.00 179.01 178.68 3nnk h ALA 220 N 1.13 1.24 -0.17 2.92 0.00 -1.28 -2.16 119.26 120.94 3nnk h ALA 220 Ca 0.08 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3nnk h ALA 220 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3nnk h ALA 220 CO -0.12 0.61 -0.45 0.82 0.00 0.00 0.00 179.25 180.11 3nnk h ILE 221 N 1.14 1.33 0.00 0.00 2.04 -0.86 -3.20 117.51 117.96 3nnk h ILE 221 Ca 0.29 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 3nnk h ILE 221 Cb 0.04 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3nnk h ILE 221 CO -0.05 0.53 -0.03 0.03 0.00 0.00 0.00 178.15 178.63 3nnk h ARG 222 N 0.28 0.00 0.00 2.37 -0.00 0.04 0.51 114.38 117.58 3nnk h ARG 222 Ca -0.01 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.44 3nnk h ARG 222 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.03 3nnk h ARG 222 CO 0.10 0.03 -0.16 0.00 0.00 0.00 0.00 179.97 179.94 3nnk h ARG 223 N 0.00 0.00 -0.35 0.04 3.08 -1.39 -3.03 114.38 112.73 3nnk h ARG 223 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nnk h ARG 223 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3nnk h ARG 223 CO 0.00 0.16 0.00 0.54 -1.07 0.00 0.00 179.97 179.61 3nnk n ARG 224 N -3.46 2.20 -1.66 0.04 5.12 0.17 -1.05 116.66 118.01 3nnk n ARG 224 Ca -0.01 -1.82 -0.47 0.00 -1.93 0.00 0.00 57.85 53.62 3nnk n ARG 224 Cb 0.34 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 30.14 3nnk n ARG 224 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3nnk n LYS 225 N 1.02 2.04 -3.23 5.56 4.81 -1.15 -3.96 118.16 123.27 3nnk n LYS 225 Ca 0.18 0.74 -0.03 0.00 -0.87 0.00 0.00 58.31 58.33 3nnk n LYS 225 Cb 0.48 -2.49 -0.03 0.00 0.02 0.00 0.00 35.03 33.01 3nnk n LYS 225 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3nnk s VAL 227 N 2.63 3.93 0.24 0.00 1.01 -1.26 -4.96 120.40 122.00 3nnk s VAL 227 Ca 0.10 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 3nnk s VAL 227 Cb -0.11 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.24 3nnk s VAL 227 CO -0.27 0.08 0.91 1.21 0.00 0.00 0.00 175.10 177.03 3nnk n GLU 228 N 4.24 0.95 -0.14 2.72 0.00 -1.26 -4.72 120.64 122.43 3nnk n GLU 228 Ca 0.10 0.34 -0.03 0.00 0.00 0.00 0.00 57.16 57.56 3nnk n GLU 228 Cb 0.46 -1.63 0.05 0.00 0.00 0.00 0.00 31.44 30.31 3nnk n GLU 228 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3nnk h GLU 229 N 1.97 0.15 0.00 5.31 4.81 -1.96 -2.17 114.58 122.69 3nnk h GLU 229 Ca -0.37 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3nnk h GLU 229 Cb 1.37 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 3nnk h GLU 229 CO 0.61 0.10 -0.02 0.78 -0.73 0.00 0.00 179.01 179.75 3nnk h GLY 230 N 0.15 0.00 -0.03 1.92 0.00 -2.01 -2.68 103.07 100.42 3nnk h GLY 230 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 3nnk h GLY 230 CO -0.35 0.00 -0.02 0.29 0.00 0.00 0.00 176.54 176.46 3nnk n ILE 231 N -3.18 1.89 -3.24 2.60 -5.35 -0.94 -5.03 119.36 106.11 3nnk n ILE 231 Ca -0.02 -2.29 -0.39 0.00 -0.27 0.00 0.00 62.75 59.79 3nnk n ILE 231 Cb 0.17 -0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 37.78 3nnk n ILE 231 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3nnk s ARG 232 N -2.87 4.27 0.33 6.28 3.52 -0.86 -4.90 118.95 124.72 3nnk s ARG 232 Ca 0.32 0.50 0.07 0.00 -0.13 0.00 0.00 55.73 56.49 3nnk s ARG 232 Cb 0.28 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3nnk s ARG 232 CO 0.03 -0.02 0.38 0.95 -0.81 0.00 0.00 175.30 175.83 3nnk s THR 233 N 1.21 3.93 -1.78 4.11 -4.23 -1.26 -5.01 115.64 112.61 3nnk s THR 233 Ca 0.27 -1.16 0.22 0.00 -1.18 0.00 0.00 61.69 59.84 3nnk s THR 233 Cb -0.16 -3.34 0.53 0.00 1.34 0.00 0.00 72.50 70.87 3nnk s THR 233 CO 0.11 -0.18 1.69 0.47 -0.54 0.00 0.00 174.62 176.17 3nnk n ASP 234 N -1.51 0.00 -0.12 3.99 8.00 -1.26 -1.53 116.55 124.12 3nnk n ASP 234 Ca -0.01 -0.43 0.13 0.00 0.71 0.00 0.00 54.79 55.19 3nnk n ASP 234 Cb 0.59 -0.11 0.44 0.00 -0.02 0.00 0.00 41.12 42.02 3nnk n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk n ALA 235 N -1.11 3.03 -2.38 2.24 0.00 -1.26 -4.89 120.51 116.14 3nnk n ALA 235 Ca 0.14 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 3nnk n ALA 235 Cb 0.11 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 3nnk n ALA 235 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3nnk s HIS 236 N -2.67 3.75 -0.00 0.00 3.76 -0.58 -5.09 115.29 114.46 3nnk s HIS 236 Ca 0.21 1.22 0.01 0.00 -0.15 0.00 0.00 55.06 56.36 3nnk s HIS 236 Cb 0.19 -2.53 -0.00 0.00 1.11 0.00 0.00 32.58 31.35 3nnk s HIS 236 CO 0.55 0.49 -0.04 -0.98 -0.85 0.00 0.00 174.74 173.91 3nnk s ARG 237 N -0.71 0.37 0.87 1.40 1.70 -1.26 -4.95 118.95 116.36 3nnk s ARG 237 Ca 0.29 -0.16 -0.10 0.00 -0.47 0.00 0.00 55.73 55.29 3nnk s ARG 237 Cb -0.19 -0.36 0.12 0.00 -0.57 0.00 0.00 34.95 33.95 3nnk s ARG 237 CO 0.18 0.09 1.13 -0.51 -1.08 0.00 0.00 175.30 175.11 3nnk s ASP 238 N -0.08 3.42 0.97 -2.89 1.11 -1.26 -4.85 116.67 113.09 3nnk s ASP 238 Ca 0.01 2.08 -0.13 0.00 0.18 0.00 0.00 52.55 54.69 3nnk s ASP 238 Cb -0.02 -2.55 0.19 0.00 1.07 0.00 0.00 42.92 41.60 3nnk s ASP 238 CO -0.00 -2.77 1.13 0.61 1.18 0.00 0.00 175.17 175.32 3nnk n GLY 239 N -0.23 -1.28 0.11 0.21 0.00 -0.32 -4.95 105.19 98.74 3nnk n GLY 239 Ca 0.11 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 3nnk n GLY 239 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3nnk h ASP 240 N -1.43 0.00 -2.28 1.61 5.19 -1.76 -3.46 116.42 114.29 3nnk h ASP 240 Ca -0.36 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.59 3nnk h ASP 240 Cb 1.03 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.55 3nnk h ASP 240 CO 0.27 0.70 -0.25 -1.61 -3.12 0.00 0.00 179.24 175.23 3nnk s GLU 241 N -2.97 3.16 0.64 3.56 2.02 -0.22 -5.05 118.70 119.84 3nnk s GLU 241 Ca 0.02 -0.73 -0.18 0.00 0.02 0.00 0.00 54.97 54.10 3nnk s GLU 241 Cb 0.09 -2.72 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 3nnk s GLU 241 CO 0.77 -0.02 1.25 -1.83 0.02 0.00 0.00 175.26 175.46 3nnk s GLU 242 N -4.31 2.62 0.71 1.61 -1.05 -1.26 -4.41 118.70 112.61 3nnk s GLU 242 Ca 0.45 1.95 -0.15 0.00 -0.15 0.00 0.00 54.97 57.06 3nnk s GLU 242 Cb -0.10 -1.87 0.03 0.00 -0.44 0.00 0.00 34.13 31.75 3nnk s GLU 242 CO 0.34 -1.51 1.18 0.00 0.95 0.00 0.00 175.26 176.22 3nnk s MET 243 N -3.44 2.33 -0.03 -4.83 0.23 -1.26 -4.57 119.30 107.73 3nnk s MET 243 Ca 0.80 1.68 -0.30 0.00 -1.03 0.00 0.00 55.69 56.83 3nnk s MET 243 Cb -0.34 -1.87 -0.04 0.00 -1.53 0.00 0.00 34.83 31.05 3nnk s MET 243 CO 0.38 -1.67 1.30 0.42 -2.03 0.00 0.00 175.02 173.42 3nnk s ILE 244 N -2.05 3.99 -1.42 3.16 1.01 -1.25 -4.92 121.20 119.72 3nnk s ILE 244 Ca 0.73 1.34 -0.14 0.00 0.00 0.00 0.00 60.65 62.59 3nnk s ILE 244 Cb -0.27 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 3nnk s ILE 244 CO 0.44 -0.00 2.37 -1.22 0.00 0.00 0.00 174.94 176.52 3nnk n TYR 245 N 5.31 3.05 0.00 3.97 4.01 -1.26 -4.60 117.16 127.63 3nnk n TYR 245 Ca 0.12 -2.86 0.00 0.00 -0.16 0.00 0.00 57.90 55.00 3nnk n TYR 245 Cb 0.45 -2.44 0.00 0.00 -0.31 0.00 0.00 39.34 37.04 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk n SER 246 N 5.58 0.00 -0.04 7.72 2.88 -1.26 -5.03 113.62 123.47 3nnk n SER 246 Ca 0.58 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.98 3nnk n SER 246 Cb 0.35 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.69 3nnk n SER 246 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3nnk h ASN 247 N 0.00 -0.01 -0.38 -3.46 -1.24 -1.98 -3.23 115.58 105.28 3nnk h ASN 247 Ca 0.00 -0.75 -0.12 0.00 0.71 0.00 0.00 56.30 56.14 3nnk h ASN 247 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3nnk h ASN 247 CO 0.00 0.76 -0.20 0.22 -1.29 0.00 0.00 177.43 176.92 3nnk h TYR 248 N -0.79 0.99 -0.53 0.67 3.20 -1.97 -3.11 116.97 115.43 3nnk h TYR 248 Ca -0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.64 3nnk h TYR 248 Cb 0.76 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3nnk h TYR 248 CO 0.19 0.99 0.00 1.19 -1.64 0.00 0.00 178.16 178.89 3nnk n PHE 249 N -4.12 1.49 -2.58 -3.82 3.72 -1.26 -4.78 117.46 106.11 3nnk n PHE 249 Ca 0.00 -0.55 -0.41 0.00 -0.05 0.00 0.00 57.45 56.44 3nnk n PHE 249 Cb 0.43 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3nnk n PHE 249 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3nnk s ASP 250 N -0.76 6.35 0.56 4.37 -1.08 -1.18 -4.46 116.67 120.47 3nnk s ASP 250 Ca 0.45 -1.03 0.35 0.00 -0.52 0.00 0.00 52.55 51.81 3nnk s ASP 250 Cb 0.31 -2.55 1.57 0.00 -1.46 0.00 0.00 42.92 40.78 3nnk s ASP 250 CO 0.18 -1.63 2.05 -0.07 0.52 0.00 0.00 175.17 176.22 3nnk h LEU 251 N 12.75 0.00 -0.34 -1.34 3.38 -1.86 -2.42 115.31 125.48 3nnk h LEU 251 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3nnk h LEU 251 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3nnk h LEU 251 CO 1.34 0.00 0.14 1.23 0.09 0.00 0.00 178.44 181.24 3nnk h GLY 252 N 1.63 0.44 1.82 0.83 0.00 -1.89 0.14 103.07 106.04 3nnk h GLY 252 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 3nnk h GLY 252 CO 0.00 0.05 -0.68 -0.33 0.00 0.00 0.00 176.54 175.59 3nnk h MET 253 N 0.30 0.18 -0.41 4.80 2.86 -1.83 -2.49 114.93 118.34 3nnk h MET 253 Ca 0.15 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3nnk h MET 253 Cb 0.10 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3nnk h MET 253 CO -0.13 0.79 0.10 0.28 1.06 0.00 0.00 176.91 179.00 3nnk h VAL 254 N 0.13 1.23 -0.89 -2.22 2.07 -1.19 -0.86 116.25 114.52 3nnk h VAL 254 Ca -0.01 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3nnk h VAL 254 Cb 1.21 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3nnk h VAL 254 CO 0.10 0.28 0.55 0.24 0.02 0.00 0.00 177.57 178.77 3nnk h MET 255 N 0.53 0.98 0.00 1.57 2.86 -0.69 -1.52 114.93 118.67 3nnk h MET 255 Ca 0.13 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3nnk h MET 255 Cb 0.32 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3nnk h MET 255 CO 0.00 0.65 -0.21 -0.44 1.06 0.00 0.00 176.91 177.97 3nnk h ASP 256 N 1.01 0.00 -0.00 1.22 3.32 -1.03 0.69 116.42 121.63 3nnk h ASP 256 Ca 0.38 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 3nnk h ASP 256 Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3nnk h ASP 256 CO -0.17 0.21 -0.01 0.22 -1.72 0.00 0.00 179.24 177.77 3nnk h TYR 257 N 0.00 0.02 0.00 4.55 3.20 -0.21 -0.56 116.97 123.96 3nnk h TYR 257 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3nnk h TYR 257 Cb 0.42 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 3nnk h TYR 257 CO 0.00 0.55 -0.14 -1.49 -1.64 0.00 0.00 178.16 175.45 3nnk h TRP 258 N -0.53 0.00 -3.89 -3.82 4.06 -1.13 -3.33 115.95 107.30 3nnk h TRP 258 Ca 0.00 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.51 3nnk h TRP 258 Cb 0.55 0.00 0.18 0.00 -1.00 0.00 0.00 29.16 28.89 3nnk h TRP 258 CO 0.12 0.14 0.42 0.20 -3.56 0.00 0.00 178.44 175.76 3nnk s GLY 259 N -4.26 1.82 0.56 1.49 0.00 0.22 -4.91 107.32 102.23 3nnk s GLY 259 Ca 0.04 -1.31 0.25 0.00 0.00 0.00 0.00 44.72 43.70 3nnk s GLY 259 CO 0.65 -0.48 2.07 -0.56 0.00 0.00 0.00 173.10 174.77 3nnk h PRO 260 N -1.79 0.00 -0.56 2.90 0.13 -1.88 -1.67 132.00 129.14 3nnk h PRO 260 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 3nnk h PRO 260 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3nnk h PRO 260 CO 0.32 0.00 0.21 1.49 -0.23 0.00 0.00 178.00 179.79 3nnk h GLU 261 N 0.00 0.81 -5.66 0.86 4.81 -1.90 -3.47 114.58 110.03 3nnk h GLU 261 Ca 0.13 -0.13 -0.38 0.00 -0.13 0.00 0.00 59.36 58.85 3nnk h GLU 261 Cb 0.60 -0.14 0.14 0.00 0.63 0.00 0.00 28.75 29.98 3nnk h GLU 261 CO -0.00 0.68 -0.66 0.54 -0.73 0.00 0.00 179.01 178.83 3nnk n ARG 262 N -4.32 -7.60 -1.69 1.92 5.12 -0.63 -4.92 116.66 104.55 3nnk n ARG 262 Ca 0.04 0.80 -0.43 0.00 -1.93 0.00 0.00 57.85 56.34 3nnk n ARG 262 Cb 0.17 -5.77 -0.03 0.00 -1.16 0.00 0.00 32.46 25.67 3nnk n ARG 262 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3nnk n LEU 263 N -4.78 3.95 -4.02 0.55 -0.00 -0.27 -4.85 117.00 107.58 3nnk n LEU 263 Ca -0.02 0.99 -0.40 0.00 -0.00 0.00 0.00 56.01 56.58 3nnk n LEU 263 Cb 0.57 -1.52 -0.03 0.00 -0.00 0.00 0.00 43.42 42.43 3nnk n LEU 263 CO 0.62 0.13 2.11 -3.20 -0.00 0.00 0.00 177.39 177.05 3nnk n ASN 264 N 5.72 3.41 -0.03 1.96 2.85 -1.26 -3.85 115.26 124.05 3nnk n ASN 264 Ca 0.18 -2.77 -0.13 0.00 -0.11 0.00 0.00 54.58 51.75 3nnk n ASN 264 Cb 0.36 -1.50 -0.11 0.00 1.24 0.00 0.00 39.78 39.78 3nnk n ASN 264 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3nnk h HIS 265 N 7.74 0.00 -3.05 1.20 -0.00 -1.89 -3.48 115.15 115.68 3nnk h HIS 265 Ca 0.42 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.83 3nnk h HIS 265 Cb 0.75 -0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.12 3nnk h HIS 265 CO 1.32 0.68 0.22 -3.38 -0.00 0.00 0.00 177.93 176.77 3nnk s HIS 266 N -3.50 -0.08 -0.50 5.26 -3.43 -1.26 -5.06 115.29 106.73 3nnk s HIS 266 Ca -0.17 -0.41 -0.25 0.00 -0.80 0.00 0.00 55.06 53.42 3nnk s HIS 266 Cb -0.00 0.70 0.03 0.00 -1.43 0.00 0.00 32.58 31.88 3nnk s HIS 266 CO 0.68 -1.30 0.94 0.99 -2.00 0.00 0.00 174.74 174.06 3nnk s THR 267 N -3.58 4.42 0.09 -5.38 2.01 -1.26 -5.00 115.64 106.93 3nnk s THR 267 Ca 0.13 0.59 -0.35 0.00 0.31 0.00 0.00 61.69 62.37 3nnk s THR 267 Cb -0.05 -4.49 -0.15 0.00 0.01 0.00 0.00 72.50 67.82 3nnk s THR 267 CO 0.08 -0.96 1.51 1.21 -0.69 0.00 0.00 174.62 175.77 3nnk n GLU 268 N 7.33 1.67 -1.84 4.92 4.07 -1.26 -4.82 120.64 130.72 3nnk n GLU 268 Ca 0.05 0.60 -0.27 0.00 -0.06 0.00 0.00 57.16 57.48 3nnk n GLU 268 Cb 0.48 -2.32 -0.05 0.00 -0.06 0.00 0.00 31.44 29.49 3nnk n GLU 268 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3nnk s ALA 269 N 1.10 1.50 0.14 4.31 0.00 -1.26 -4.83 121.76 122.72 3nnk s ALA 269 Ca 0.83 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 3nnk s ALA 269 Cb -0.82 -4.47 0.02 0.00 0.00 0.00 0.00 23.12 17.85 3nnk s ALA 269 CO 0.44 -4.87 1.68 1.15 0.00 0.00 0.00 175.76 174.17 3nnk h THR 270 N 7.37 0.67 -0.21 0.00 2.02 -1.97 -1.28 112.91 119.51 3nnk h THR 270 Ca -0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.16 3nnk h THR 270 Cb 1.08 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 3nnk h THR 270 CO 1.15 0.00 -0.03 0.74 0.37 0.00 0.00 175.52 177.75 3nnk h THR 271 N -0.05 0.81 -0.11 3.16 2.02 -1.91 -1.74 112.91 115.09 3nnk h THR 271 Ca 0.13 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 3nnk h THR 271 Cb 0.25 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3nnk h THR 271 CO -0.29 0.01 -0.22 0.00 0.37 0.00 0.00 175.52 175.38 3nnk h ALA 272 N 1.20 1.43 -0.46 6.16 0.00 -1.85 -2.22 119.26 123.52 3nnk h ALA 272 Ca 0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3nnk h ALA 272 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3nnk h ALA 272 CO -0.20 0.40 -0.08 1.25 0.00 0.00 0.00 179.25 180.63 3nnk h LEU 273 N 0.18 0.86 -0.65 0.00 6.46 -0.84 -0.22 115.31 121.09 3nnk h LEU 273 Ca 0.03 -0.35 0.06 0.00 -0.12 0.00 0.00 57.88 57.51 3nnk h LEU 273 Cb 0.49 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 3nnk h LEU 273 CO 0.03 1.00 0.35 -0.26 -0.62 0.00 0.00 178.44 178.95 3nnk h PHE 274 N 0.70 0.63 0.26 1.25 0.04 -0.85 -0.29 116.94 118.69 3nnk h PHE 274 Ca 0.12 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 3nnk h PHE 274 Cb 0.61 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3nnk h PHE 274 CO 0.05 0.29 -0.12 0.78 -0.60 0.00 0.00 178.31 178.70 3nnk h GLY 275 N 0.64 -0.36 0.97 -1.45 0.00 -1.19 -2.47 103.07 99.20 3nnk h GLY 275 Ca 0.30 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.80 3nnk h GLY 275 CO -0.20 -0.13 0.59 0.00 0.00 0.00 0.00 176.54 176.80 3nnk h ALA 276 N 0.11 1.45 -0.56 3.60 0.00 -0.95 -0.89 119.26 122.03 3nnk h ALA 276 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3nnk h ALA 276 Cb 0.41 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3nnk h ALA 276 CO 0.06 0.45 0.37 -0.09 0.00 0.00 0.00 179.25 180.04 3nnk h ARG 277 N 1.10 0.73 -0.35 0.00 2.43 -1.02 -2.73 114.38 114.54 3nnk h ARG 277 Ca 0.36 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 3nnk h ARG 277 Cb 0.06 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3nnk h ARG 277 CO -0.11 0.49 0.03 0.93 -1.51 0.00 0.00 179.97 179.79 3nnk h GLU 278 N 0.76 0.60 -0.26 0.20 4.39 -0.88 -1.27 114.58 118.12 3nnk h GLU 278 Ca 0.21 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.80 3nnk h GLU 278 Cb -0.08 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.44 3nnk h GLU 278 CO -0.05 0.69 -0.19 0.00 -1.16 0.00 0.00 179.01 178.30 3nnk h ALA 280 N 0.95 0.87 -0.56 0.00 0.00 -1.50 -2.28 119.26 116.74 3nnk h ALA 280 Ca 0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3nnk h ALA 280 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3nnk h ALA 280 CO -0.37 0.63 0.20 -0.09 0.00 0.00 0.00 179.25 179.63 3nnk h ARG 281 N 0.55 0.86 -0.32 0.00 2.43 -0.62 -1.52 114.38 115.75 3nnk h ARG 281 Ca 0.06 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 3nnk h ARG 281 Cb 0.83 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3nnk h ARG 281 CO 0.07 0.76 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.84 3nnk h LEU 282 N 0.78 0.88 -0.59 3.80 3.38 -0.72 -1.18 115.31 121.65 3nnk h LEU 282 Ca 0.18 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3nnk h LEU 282 Cb 0.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3nnk h LEU 282 CO -0.01 1.19 0.37 0.40 0.09 0.00 0.00 178.44 180.47 3nnk h ILE 283 N 0.59 1.17 -0.00 1.22 2.04 -1.31 -1.35 117.51 119.87 3nnk h ILE 283 Ca 0.04 -0.35 -0.16 0.00 1.00 0.00 0.00 64.86 65.40 3nnk h ILE 283 Cb 0.96 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3nnk h ILE 283 CO 0.09 0.17 -0.78 -0.07 0.00 0.00 0.00 178.15 177.56 3nnk h LEU 284 N 0.79 0.01 -0.73 1.44 3.38 -1.28 0.74 115.31 119.66 3nnk h LEU 284 Ca 0.21 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3nnk h LEU 284 Cb -0.05 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3nnk h LEU 284 CO -0.04 0.78 0.30 1.56 0.09 0.00 0.00 178.44 181.12 3nnk h GLN 285 N 0.00 1.10 -0.22 1.13 4.20 -0.98 -2.38 115.11 117.96 3nnk h GLN 285 Ca -0.01 -0.20 -0.16 0.00 0.06 0.00 0.00 58.65 58.34 3nnk h GLN 285 Cb 1.37 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 3nnk h GLN 285 CO 0.10 0.90 -0.53 1.49 -0.67 0.00 0.00 178.83 180.12 3nnk h GLU 286 N 1.05 0.65 0.00 1.46 4.81 -1.19 -3.50 114.58 117.86 3nnk h GLU 286 Ca 0.24 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3nnk h GLU 286 Cb 0.21 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3nnk h GLU 286 CO -0.02 1.01 0.00 0.41 -0.73 0.00 0.00 179.01 179.68 3nnk n GLY 287 N 0.25 2.11 0.24 1.92 0.00 0.25 -4.68 105.19 105.27 3nnk n GLY 287 Ca -0.03 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 3nnk n GLY 287 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nnk h LEU 288 N 0.00 0.78 -0.29 0.99 5.85 -1.82 0.10 115.31 120.92 3nnk h LEU 288 Ca 0.00 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 3nnk h LEU 288 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3nnk h LEU 288 CO 0.00 0.93 0.16 0.44 -0.34 0.00 0.00 178.44 179.64 3nnk h ASP 289 N 0.61 0.35 0.17 1.25 3.45 -1.92 -1.04 116.42 119.29 3nnk h ASP 289 Ca 0.11 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 3nnk h ASP 289 Cb 0.56 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3nnk h ASP 289 CO 0.03 0.32 -0.20 1.88 -1.57 0.00 0.00 179.24 179.70 3nnk h TYR 290 N 0.36 0.08 -0.25 4.55 0.05 -1.81 -1.55 116.97 118.39 3nnk h TYR 290 Ca 0.10 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 3nnk h TYR 290 Cb 0.04 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3nnk h TYR 290 CO -0.04 0.27 -0.07 0.78 -1.05 0.00 0.00 178.16 178.06 3nnk h GLY 291 N 0.71 0.53 0.85 3.88 0.00 -0.27 -1.97 103.07 106.80 3nnk h GLY 291 Ca 0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3nnk h GLY 291 CO 0.03 0.41 -0.01 -2.22 0.00 0.00 0.00 176.54 174.75 3nnk h ILE 292 N 0.24 1.26 -0.59 2.60 2.04 -1.03 -2.81 117.51 119.21 3nnk h ILE 292 Ca 0.06 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.07 3nnk h ILE 292 Cb 0.54 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3nnk h ILE 292 CO 0.03 0.29 0.40 0.00 0.00 0.00 0.00 178.15 178.86 3nnk h ALA 293 N 0.80 1.89 -0.29 1.87 0.00 -1.32 -1.25 119.26 120.96 3nnk h ALA 293 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3nnk h ALA 293 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3nnk h ALA 293 CO 0.01 0.00 0.06 -0.09 0.00 0.00 0.00 179.25 179.24 3nnk h ARG 294 N 0.51 0.47 -0.48 0.00 2.43 -1.21 -2.08 114.38 114.01 3nnk h ARG 294 Ca 0.26 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3nnk h ARG 294 Cb 0.37 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3nnk h ARG 294 CO -0.08 0.55 0.23 0.45 -1.51 0.00 0.00 179.97 179.62 3nnk h HIS 295 N 0.30 0.70 -0.08 2.20 3.86 -1.11 -2.79 115.15 118.22 3nnk h HIS 295 Ca 0.09 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3nnk h HIS 295 Cb 0.30 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3nnk h HIS 295 CO 0.02 0.56 0.05 -0.22 0.86 0.00 0.00 177.93 179.19 3nnk h LYS 296 N 0.64 0.10 -0.41 2.45 3.64 -1.24 -0.53 116.57 121.22 3nnk h LYS 296 Ca 0.17 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3nnk h LYS 296 Cb 0.12 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3nnk h LYS 296 CO -0.02 0.07 0.16 1.25 -2.27 0.00 0.00 179.45 178.63 3nnk h LEU 297 N 0.10 0.19 0.00 5.20 5.85 -1.31 0.16 115.31 125.50 3nnk h LEU 297 Ca 0.03 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.62 3nnk h LEU 297 Cb -0.00 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3nnk h LEU 297 CO -0.01 0.14 -0.83 0.45 -0.34 0.00 0.00 178.44 177.85 3nnk h HIS 298 N 0.33 0.00 -0.51 1.25 3.86 -1.47 -1.73 115.15 116.89 3nnk h HIS 298 Ca 0.19 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 3nnk h HIS 298 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3nnk h HIS 298 CO -0.14 0.83 0.01 0.78 0.86 0.00 0.00 177.93 180.27 3nnk h GLY 299 N 3.17 0.96 2.00 2.45 0.00 -0.86 -2.49 103.07 108.30 3nnk h GLY 299 Ca -0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 3nnk h GLY 299 CO 0.11 0.64 -0.36 -0.55 0.00 0.00 0.00 176.54 176.38 3nnk h ASP 300 N 0.75 0.00 -0.14 0.19 3.32 -0.58 -2.39 116.42 117.58 3nnk h ASP 300 Ca 0.14 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3nnk h ASP 300 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3nnk h ASP 300 CO 0.02 0.36 -0.25 0.00 -1.72 0.00 0.00 179.24 177.65 3nnk h ALA 301 N 1.64 0.22 -0.36 3.45 0.00 -1.26 -2.72 119.26 120.24 3nnk h ALA 301 Ca -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3nnk h ALA 301 Cb 0.81 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3nnk h ALA 301 CO 0.05 0.20 0.22 1.25 0.00 0.00 0.00 179.25 180.96 3nnk h LEU 302 N 0.02 0.36 -0.31 0.00 5.85 -1.34 -2.09 115.31 117.80 3nnk h LEU 302 Ca 0.01 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3nnk h LEU 302 Cb 0.84 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3nnk h LEU 302 CO 0.06 0.26 0.16 0.58 -0.34 0.00 0.00 178.44 179.16 3nnk h VAL 303 N 0.44 0.99 -0.22 1.05 2.07 -1.49 -0.06 116.25 119.03 3nnk h VAL 303 Ca 0.14 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3nnk h VAL 303 Cb -0.01 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3nnk h VAL 303 CO -0.05 0.06 -0.08 0.11 0.02 0.00 0.00 177.57 177.63 3nnk h LYS 304 N 0.33 0.35 -0.03 1.57 1.57 -1.33 0.25 116.57 119.28 3nnk h LYS 304 Ca 0.13 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 3nnk h LYS 304 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3nnk h LYS 304 CO -0.09 0.44 -0.80 0.78 -0.57 0.00 0.00 179.45 179.21 3nnk h GLY 305 N 0.77 0.30 0.66 3.86 0.00 -1.09 -2.78 103.07 104.78 3nnk h GLY 305 Ca 0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3nnk h GLY 305 CO 0.02 0.43 -0.14 -2.22 0.00 0.00 0.00 176.54 174.62 3nnk h ILE 306 N 0.17 1.39 -0.88 2.60 1.08 -0.25 -2.28 117.51 119.33 3nnk h ILE 306 Ca -0.04 -1.38 0.03 0.00 -0.39 0.00 0.00 64.86 63.08 3nnk h ILE 306 Cb 1.40 2.08 -0.05 0.00 -3.07 0.00 0.00 36.82 37.18 3nnk h ILE 306 CO 0.13 0.39 0.58 1.56 -0.69 0.00 0.00 178.15 180.12 3nnk h GLN 307 N -0.18 1.09 -0.00 2.37 4.20 -0.62 -1.86 115.11 120.10 3nnk h GLN 307 Ca 0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3nnk h GLN 307 Cb 0.70 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3nnk h GLN 307 CO 0.03 0.72 -0.07 0.00 -0.67 0.00 0.00 178.83 178.84 3nnk n ALA 308 N -2.40 2.71 1.43 3.87 0.00 -1.05 -2.97 120.51 122.10 3nnk n ALA 308 Ca 0.11 -0.29 0.14 0.00 0.00 0.00 0.00 53.44 53.41 3nnk n ALA 308 Cb 0.09 -1.34 0.47 0.00 0.00 0.00 0.00 19.45 18.67 3nnk n ALA 308 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3nnk n MET 309 N -0.76 1.58 -0.79 0.00 0.00 -0.72 -3.92 117.12 112.51 3nnk n MET 309 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 57.70 56.91 3nnk n MET 309 Cb 0.26 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.00 3nnk n MET 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3nnk n GLY 310 N 1.21 0.52 3.77 -5.12 0.00 -1.16 -4.83 105.19 99.58 3nnk n GLY 310 Ca 0.18 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 3nnk n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 311 N 0.00 4.09 0.67 0.99 1.43 -1.06 -5.06 118.68 119.74 3nnk s LEU 311 Ca 0.00 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 3nnk s LEU 311 Cb 0.00 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3nnk s LEU 311 CO 0.00 0.31 1.05 -1.61 0.23 0.00 0.00 176.35 176.34 3nnk s GLU 312 N -0.47 3.12 0.26 1.70 2.02 -1.26 -4.15 118.70 119.92 3nnk s GLU 312 Ca 0.11 0.93 0.11 0.00 0.02 0.00 0.00 54.97 56.14 3nnk s GLU 312 Cb -0.12 -2.01 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 3nnk s GLU 312 CO 0.02 -0.95 -0.11 0.95 0.02 0.00 0.00 175.26 175.18 3nnk s THR 313 N -3.02 2.93 -0.13 3.63 -4.23 -1.26 -1.87 115.64 111.70 3nnk s THR 313 Ca 0.58 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 3nnk s THR 313 Cb -0.13 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 3nnk s THR 313 CO 0.53 -0.34 -0.02 0.12 -0.54 0.00 0.00 174.62 174.37 3nnk s PHE 314 N -2.29 3.07 0.00 3.99 5.36 0.78 -4.78 117.98 124.10 3nnk s PHE 314 Ca 0.29 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 3nnk s PHE 314 Cb -0.06 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.73 3nnk s PHE 314 CO 0.17 0.17 0.00 0.41 -1.46 0.00 0.00 175.22 174.51 3nnk n GLY 315 N 2.96 -1.81 3.33 13.12 0.00 -1.26 -4.57 105.19 116.95 3nnk n GLY 315 Ca -0.18 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.49 3nnk n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nnk s ASP 316 N -4.00 6.04 0.00 1.61 2.15 -1.08 -4.95 116.67 116.44 3nnk s ASP 316 Ca 0.00 -1.55 0.07 0.00 0.43 0.00 0.00 52.55 51.51 3nnk s ASP 316 Cb 0.00 -2.15 0.33 0.00 -0.30 0.00 0.00 42.92 40.80 3nnk s ASP 316 CO 0.00 -0.70 1.22 0.18 -0.17 0.00 0.00 175.17 175.71 3nnk n LEU 317 N 5.15 0.00 0.22 -1.34 4.77 -1.26 -1.32 117.00 123.22 3nnk n LEU 317 Ca -0.12 0.48 0.09 0.00 -0.03 0.00 0.00 56.01 56.43 3nnk n LEU 317 Cb 0.42 -0.48 0.48 0.00 -2.33 0.00 0.00 43.42 41.51 3nnk n LEU 317 CO 0.48 -0.35 0.81 0.11 -1.33 0.00 0.00 177.39 177.10 3nnk h LYS 318 N 0.00 0.00 0.00 3.23 1.57 -2.01 -3.27 116.57 116.09 3nnk h LYS 318 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3nnk h LYS 318 Cb 0.12 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 3nnk h LYS 318 CO 0.00 0.24 -0.41 0.72 -0.57 0.00 0.00 179.45 179.43 3nnk n HIS 319 N -3.47 0.00 -2.10 -1.35 8.25 -0.43 -5.08 115.22 111.05 3nnk n HIS 319 Ca -0.00 -0.95 -0.37 0.00 -0.26 0.00 0.00 57.72 56.14 3nnk n HIS 319 Cb 0.41 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.37 3nnk n HIS 319 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3nnk s LYS 320 N -2.14 3.38 0.19 -0.41 2.20 -1.18 0.11 119.74 121.89 3nnk s LYS 320 Ca 0.30 1.86 -0.30 0.00 -0.36 0.00 0.00 55.97 57.47 3nnk s LYS 320 Cb 0.29 -2.20 -0.08 0.00 -1.51 0.00 0.00 37.83 34.32 3nnk s LYS 320 CO -0.04 -0.89 1.25 -1.64 -0.36 0.00 0.00 175.35 173.67 3nnk s MET 321 N -2.98 4.44 0.53 4.03 -1.94 -0.15 -4.65 119.30 118.59 3nnk s MET 321 Ca 0.70 1.96 0.24 0.00 -1.71 0.00 0.00 55.69 56.88 3nnk s MET 321 Cb -0.31 -3.22 1.39 0.00 2.01 0.00 0.00 34.83 34.70 3nnk s MET 321 CO 0.36 -0.18 2.03 -0.91 -0.01 0.00 0.00 175.02 176.31 3nnk h ASN 322 N 5.34 0.00 -0.02 3.03 2.35 -1.89 -3.05 115.58 121.34 3nnk h ASN 322 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3nnk h ASN 322 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3nnk h ASN 322 CO 0.76 0.00 -0.14 -0.46 -1.65 0.00 0.00 177.43 175.94 3nnk n ASN 323 N -4.37 2.54 -3.88 5.81 6.94 -1.26 -3.93 115.26 117.11 3nnk n ASN 323 Ca 0.07 -1.77 -0.11 0.00 -0.02 0.00 0.00 54.58 52.75 3nnk n ASN 323 Cb 0.50 0.16 -0.12 0.00 -2.36 0.00 0.00 39.78 37.96 3nnk n ASN 323 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3nnk s VAL 324 N -1.99 0.04 -0.03 3.53 1.01 -1.15 0.15 120.40 121.96 3nnk s VAL 324 Ca 0.23 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3nnk s VAL 324 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 3nnk s VAL 324 CO 0.36 -0.20 -0.16 -0.22 0.00 0.00 0.00 175.10 174.87 3nnk s LEU 325 N -0.63 1.94 -0.45 3.92 0.20 -0.11 -4.36 118.68 119.20 3nnk s LEU 325 Ca -0.07 -0.32 -0.17 0.00 0.69 0.00 0.00 54.13 54.25 3nnk s LEU 325 Cb -0.04 -0.90 0.04 0.00 -0.43 0.00 0.00 46.19 44.85 3nnk s LEU 325 CO 0.00 0.16 0.46 -0.83 -0.29 0.00 0.00 176.35 175.85 3nnk s GLY 326 N -0.09 1.90 -0.32 7.98 0.00 -1.26 -1.18 107.32 114.36 3nnk s GLY 326 Ca -0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 44.72 42.93 3nnk s GLY 326 CO 0.01 1.19 0.20 0.14 0.00 0.00 0.00 173.10 174.64 3nnk s VAL 327 N 2.12 5.04 -0.11 1.40 1.01 0.62 -0.16 120.40 130.32 3nnk s VAL 327 Ca 0.11 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 3nnk s VAL 327 Cb -0.19 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3nnk s VAL 327 CO 0.12 0.08 1.57 -0.69 0.00 0.00 0.00 175.10 176.17 3nnk s VAL 328 N 1.69 3.75 0.02 2.92 1.01 -0.78 0.17 120.40 129.18 3nnk s VAL 328 Ca 0.06 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 3nnk s VAL 328 Cb -0.17 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 3nnk s VAL 328 CO 0.09 -0.13 1.83 -0.63 0.00 0.00 0.00 175.10 176.26 3nnk s ILE 329 N 4.20 3.13 1.25 2.22 1.01 0.25 -4.42 121.20 128.83 3nnk s ILE 329 Ca 0.69 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 61.44 3nnk s ILE 329 Cb -0.29 -3.18 0.30 0.00 0.01 0.00 0.00 42.46 39.31 3nnk s ILE 329 CO 0.26 -0.02 1.02 -2.84 0.00 0.00 0.00 174.94 173.36 3nnk s PRO 330 N 3.96 -1.56 -0.10 2.79 0.02 -1.26 -4.89 135.00 133.96 3nnk s PRO 330 Ca 0.82 0.34 -0.09 0.00 0.02 0.00 0.00 61.00 62.08 3nnk s PRO 330 Cb -0.40 -1.52 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 3nnk s PRO 330 CO 0.37 -4.02 0.20 -0.65 -0.33 0.00 0.00 177.00 172.57 3nnk s GLN 331 N -4.95 3.58 0.00 5.54 -0.21 -1.26 -3.66 119.66 118.70 3nnk s GLN 331 Ca 0.69 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 56.06 3nnk s GLN 331 Cb -0.17 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.64 3nnk s GLN 331 CO 0.60 0.74 0.00 0.41 -2.12 0.00 0.00 175.29 174.91 3nnk n GLY 332 N 2.01 0.62 3.14 3.09 0.00 -1.26 -5.05 105.19 107.74 3nnk n GLY 332 Ca -0.18 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 333 N -2.00 1.95 -0.26 -0.61 -1.09 -1.24 -5.09 121.20 112.86 3nnk s ILE 333 Ca 0.00 -0.91 -0.26 0.00 -2.23 0.00 0.00 60.65 57.25 3nnk s ILE 333 Cb 0.00 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.14 3nnk s ILE 333 CO 0.00 0.53 0.92 0.21 -1.23 0.00 0.00 174.94 175.37 3nnk s ASN 334 N 0.91 6.89 0.19 3.58 3.84 -1.26 -4.82 114.94 124.27 3nnk s ASN 334 Ca -0.05 1.07 -0.12 0.00 0.21 0.00 0.00 52.86 53.97 3nnk s ASN 334 Cb -0.15 -2.48 0.11 0.00 -0.55 0.00 0.00 41.25 38.18 3nnk s ASN 334 CO -0.03 -0.63 1.82 1.23 -2.79 0.00 0.00 177.10 176.69 3nnk h GLY 335 N 9.44 0.96 1.22 1.21 0.00 -1.94 -2.64 103.07 111.31 3nnk h GLY 335 Ca -0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3nnk h GLY 335 CO 0.93 0.40 0.38 -0.55 0.00 0.00 0.00 176.54 177.70 3nnk h ASP 336 N 0.88 0.92 -0.63 0.19 5.19 -1.98 -2.22 116.42 118.78 3nnk h ASP 336 Ca 0.23 -0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 56.48 3nnk h ASP 336 Cb 0.00 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 3nnk h ASP 336 CO -0.04 0.75 0.07 -0.61 -3.12 0.00 0.00 179.24 176.30 3nnk h GLN 337 N 1.03 1.06 -0.29 3.56 4.15 -1.90 -1.04 115.11 121.67 3nnk h GLN 337 Ca 0.26 -0.30 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 3nnk h GLN 337 Cb 0.05 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3nnk h GLN 337 CO -0.04 0.99 -0.12 0.00 -1.93 0.00 0.00 178.83 177.74 3nnk h ALA 338 N 1.02 0.40 -0.34 3.38 0.00 -1.31 -2.25 119.26 120.17 3nnk h ALA 338 Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 338 Cb 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3nnk h ALA 338 CO 0.02 0.26 0.12 0.00 0.00 0.00 0.00 179.25 179.65 3nnk h ARG 339 N 0.34 0.47 -0.26 0.00 3.08 -1.31 -1.45 114.38 115.26 3nnk h ARG 339 Ca 0.07 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3nnk h ARG 339 Cb 0.62 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3nnk h ARG 339 CO 0.04 0.41 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.94 3nnk h LYS 340 N 0.47 0.58 -0.35 0.04 3.64 -1.05 -2.65 116.57 117.26 3nnk h LYS 340 Ca 0.12 -0.28 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 3nnk h LYS 340 Cb 0.12 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3nnk h LYS 340 CO -0.01 0.86 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.63 3nnk h LEU 341 N 0.30 0.81 -0.59 5.20 3.38 -1.19 -0.74 115.31 122.48 3nnk h LEU 341 Ca 0.05 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3nnk h LEU 341 Cb 0.73 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3nnk h LEU 341 CO 0.05 1.08 0.36 0.24 0.09 0.00 0.00 178.44 180.26 3nnk h MET 342 N 0.65 0.80 0.01 1.13 2.86 -1.30 -0.52 114.93 118.57 3nnk h MET 342 Ca 0.07 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3nnk h MET 342 Cb 0.88 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.37 3nnk h MET 342 CO 0.08 0.57 -0.27 1.25 1.06 0.00 0.00 176.91 179.59 3nnk h LEU 343 N 0.80 0.23 -0.04 1.22 5.85 -1.08 -0.95 115.31 121.34 3nnk h LEU 343 Ca 0.21 -0.80 -0.25 0.00 0.84 0.00 0.00 57.88 57.89 3nnk h LEU 343 Cb -0.03 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3nnk h LEU 343 CO -0.04 1.00 -1.08 -0.33 -0.34 0.00 0.00 178.44 177.65 3nnk h GLU 344 N -0.52 0.32 0.00 1.25 5.08 -1.18 -2.45 114.58 117.09 3nnk h GLU 344 Ca -0.04 -0.43 -0.16 0.00 -1.00 0.00 0.00 59.36 57.73 3nnk h GLU 344 Cb 1.05 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3nnk h GLU 344 CO 0.05 1.15 -2.12 -0.25 -1.00 0.00 0.00 179.01 176.84 3nnk n ASP 345 N -3.64 0.28 -0.00 1.42 8.00 -0.21 -4.61 116.55 117.79 3nnk n ASP 345 Ca -0.07 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.46 3nnk n ASP 345 Cb 0.92 1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 43.47 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3nnk n PHE 346 N -2.45 0.00 -1.81 1.24 3.72 -0.93 -5.02 117.46 112.21 3nnk n PHE 346 Ca -0.17 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.18 3nnk n PHE 346 Cb 0.81 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 39.23 3nnk n PHE 346 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3nnk n GLY 347 N 2.03 0.35 3.29 1.37 0.00 -0.61 -4.93 105.19 106.69 3nnk n GLY 347 Ca -0.01 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3nnk n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 348 N -2.24 2.67 -0.25 -0.61 1.01 -0.46 -0.37 121.20 120.96 3nnk s ILE 348 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 3nnk s ILE 348 Cb 0.00 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 3nnk s ILE 348 CO 0.00 0.53 0.21 -0.70 0.00 0.00 0.00 174.94 174.98 3nnk s GLU 349 N 0.53 4.05 0.14 2.79 2.12 -0.50 -2.31 118.70 125.53 3nnk s GLU 349 Ca -0.11 -0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.11 3nnk s GLU 349 Cb -0.16 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 3nnk s GLU 349 CO 0.04 -0.03 -0.11 0.96 -0.54 0.00 0.00 175.26 175.58 3nnk s ILE 350 N 1.31 3.18 0.08 -3.70 -4.36 -1.26 -0.05 121.20 116.40 3nnk s ILE 350 Ca 0.09 -1.50 -0.26 0.00 -0.26 0.00 0.00 60.65 58.72 3nnk s ILE 350 Cb -0.14 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 40.98 3nnk s ILE 350 CO 0.07 0.00 0.79 -0.83 0.24 0.00 0.00 174.94 175.21 3nnk s GLY 351 N -2.50 2.85 0.63 6.27 0.00 0.02 -4.83 107.32 109.75 3nnk s GLY 351 Ca 0.22 0.34 -0.11 0.00 0.00 0.00 0.00 44.72 45.18 3nnk s GLY 351 CO 0.14 1.10 1.03 -1.08 0.00 0.00 0.00 173.10 174.29 3nnk s THR 352 N -0.27 4.43 0.26 0.90 -1.32 -1.26 -0.45 115.64 117.93 3nnk s THR 352 Ca 0.39 0.75 0.06 0.00 -1.21 0.00 0.00 61.69 61.68 3nnk s THR 352 Cb -0.21 -3.78 -0.03 0.00 -1.51 0.00 0.00 72.50 66.97 3nnk s THR 352 CO 0.25 -1.01 0.31 -0.44 -2.21 0.00 0.00 174.62 171.51 3nnk s SER 353 N -4.22 5.96 0.29 8.08 0.01 -1.20 -4.69 113.70 117.93 3nnk s SER 353 Ca 0.55 -0.09 0.11 0.00 1.31 0.00 0.00 55.95 57.83 3nnk s SER 353 Cb -0.11 -1.61 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 3nnk s SER 353 CO 0.53 -0.10 -0.14 -0.36 0.41 0.00 0.00 173.24 173.58 3nnk s PHE 354 N -2.07 2.39 0.00 2.43 0.08 -1.26 -3.87 117.98 115.68 3nnk s PHE 354 Ca 0.35 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.05 3nnk s PHE 354 Cb -0.08 -1.11 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 3nnk s PHE 354 CO 0.28 0.67 0.00 0.41 -0.10 0.00 0.00 175.22 176.48 3nnk n GLY 355 N -0.71 2.64 0.19 4.36 0.00 -1.26 -2.91 105.19 107.50 3nnk n GLY 355 Ca -0.05 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.84 3nnk n GLY 355 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 356 N 0.00 0.00 -0.00 1.61 0.13 -2.02 -3.17 132.00 128.54 3nnk h PRO 356 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3nnk h PRO 356 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3nnk h PRO 356 CO 0.00 0.00 -0.78 1.28 -0.23 0.00 0.00 178.00 178.27 3nnk n LEU 357 N -2.49 0.92 -4.73 1.56 4.77 -1.15 -4.92 117.00 110.96 3nnk n LEU 357 Ca -0.00 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 3nnk n LEU 357 Cb 0.15 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3nnk n LEU 357 CO 0.17 0.22 1.25 1.57 -1.33 0.00 0.00 177.39 179.27 3nnk n HIS 358 N -1.29 2.73 -0.73 -1.77 -0.00 -1.20 -1.47 115.22 111.48 3nnk n HIS 358 Ca 0.04 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.44 3nnk n HIS 358 Cb 0.28 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.55 3nnk n HIS 358 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nnk n GLY 359 N 2.65 1.34 0.04 1.57 0.00 -1.26 -4.79 105.19 104.73 3nnk n GLY 359 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 3nnk n GLY 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nnk n LYS 360 N -2.00 1.31 -4.27 1.61 4.76 -0.55 -4.81 118.16 114.21 3nnk n LYS 360 Ca 0.00 0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.26 3nnk n LYS 360 Cb 0.00 -1.15 -0.16 0.00 -1.84 0.00 0.00 35.03 31.87 3nnk n LYS 360 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3nnk s VAL 361 N -2.15 0.67 0.20 -0.18 1.01 -0.89 0.84 120.40 119.89 3nnk s VAL 361 Ca -0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3nnk s VAL 361 Cb 0.02 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 3nnk s VAL 361 CO 0.21 0.25 0.46 0.26 0.00 0.00 0.00 175.10 176.27 3nnk s TRP 362 N 0.78 3.46 -0.25 5.22 0.51 0.13 -3.26 118.94 125.52 3nnk s TRP 362 Ca -0.12 0.64 0.03 0.00 -2.12 0.00 0.00 56.10 54.53 3nnk s TRP 362 Cb -0.14 -2.08 0.05 0.00 -0.81 0.00 0.00 33.47 30.49 3nnk s TRP 362 CO 0.01 0.34 -0.12 1.03 -0.51 0.00 0.00 176.95 177.70 3nnk s ARG 363 N -2.91 2.33 -0.28 4.98 0.52 0.40 -0.27 118.95 123.72 3nnk s ARG 363 Ca 0.43 -1.28 -0.06 0.00 -0.52 0.00 0.00 55.73 54.30 3nnk s ARG 363 Cb -0.11 -2.85 0.01 0.00 0.52 0.00 0.00 34.95 32.52 3nnk s ARG 363 CO 0.25 -0.52 0.04 0.42 0.02 0.00 0.00 175.30 175.51 3nnk s ILE 364 N 1.13 3.75 0.21 1.52 1.01 -0.32 -0.80 121.20 127.69 3nnk s ILE 364 Ca -0.07 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 3nnk s ILE 364 Cb -0.19 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.31 3nnk s ILE 364 CO -0.06 0.15 0.50 -0.83 0.00 0.00 0.00 174.94 174.70 3nnk s GLY 365 N 1.47 2.27 -0.52 6.18 0.00 0.26 -0.93 107.32 116.05 3nnk s GLY 365 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.44 3nnk s GLY 365 CO 0.01 -0.22 0.37 -0.51 0.00 0.00 0.00 173.10 172.75 3nnk s THR 366 N -1.77 1.42 0.09 0.90 -4.23 0.12 -4.59 115.64 107.58 3nnk s THR 366 Ca 0.46 -3.17 0.10 0.00 -1.18 0.00 0.00 61.69 57.89 3nnk s THR 366 Cb -0.11 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 3nnk s THR 366 CO 0.22 -1.09 -0.26 -0.04 -0.54 0.00 0.00 174.62 172.91 3nnk s MET 367 N -0.39 1.54 3.48 3.99 -1.94 -1.26 -4.43 119.30 120.29 3nnk s MET 367 Ca 0.27 -1.23 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 3nnk s MET 367 Cb -0.05 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 34.90 3nnk s MET 367 CO -0.14 0.46 0.00 0.41 -0.01 0.00 0.00 175.02 175.74 3nnk n GLY 368 N 1.29 3.10 0.23 -0.03 0.00 -1.25 -0.84 105.19 107.69 3nnk n GLY 368 Ca -0.18 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3nnk n GLY 368 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3nnk h TYR 369 N 0.00 0.00 -0.09 1.61 3.20 -1.84 -2.39 116.97 117.46 3nnk h TYR 369 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3nnk h TYR 369 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3nnk h TYR 369 CO 0.00 0.17 0.00 0.09 -1.64 0.00 0.00 178.16 176.78 3nnk n ASN 370 N -4.16 1.87 -4.41 -2.11 4.13 -0.02 -4.56 115.26 106.01 3nnk n ASN 370 Ca -0.02 -1.66 -0.35 0.00 1.68 0.00 0.00 54.58 54.23 3nnk n ASN 370 Cb 0.24 -0.05 -0.04 0.00 -1.54 0.00 0.00 39.78 38.39 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk n ALA 371 N 0.46 2.70 -2.60 5.41 0.00 -0.76 -4.39 120.51 121.34 3nnk n ALA 371 Ca 0.18 -3.34 -0.08 0.00 0.00 0.00 0.00 53.44 50.20 3nnk n ALA 371 Cb 0.39 -3.54 -0.10 0.00 0.00 0.00 0.00 19.45 16.20 3nnk n ALA 371 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nnk s ARG 372 N 5.47 0.46 0.15 0.00 0.52 -1.26 -4.88 118.95 119.40 3nnk s ARG 372 Ca 0.62 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 54.80 3nnk s ARG 372 Cb 0.03 0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.68 3nnk s ARG 372 CO 0.11 -0.08 1.79 -0.22 0.02 0.00 0.00 175.30 176.91 3nnk h LYS 373 N 3.95 0.54 0.00 3.54 3.64 -1.97 -2.44 116.57 123.82 3nnk h LYS 373 Ca -0.33 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.92 3nnk h LYS 373 Cb 1.18 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3nnk h LYS 373 CO 0.52 0.39 -0.40 0.38 -2.27 0.00 0.00 179.45 178.07 3nnk h ASP 374 N 0.53 0.00 -0.35 4.20 2.03 -1.97 0.29 116.42 121.16 3nnk h ASP 374 Ca 0.14 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.32 3nnk h ASP 374 Cb -0.01 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.48 3nnk h ASP 374 CO -0.03 0.40 -0.26 0.00 -1.03 0.00 0.00 179.24 178.32 3nnk h VAL 376 N 0.58 0.77 -0.46 0.00 2.07 -0.94 -2.27 116.25 116.00 3nnk h VAL 376 Ca 0.07 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.21 3nnk h VAL 376 Cb 0.83 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3nnk h VAL 376 CO 0.07 0.09 0.15 0.24 0.02 0.00 0.00 177.57 178.14 3nnk h MET 377 N -0.60 0.30 -0.38 1.57 2.07 -1.04 -1.36 114.93 115.49 3nnk h MET 377 Ca -0.04 -0.02 0.01 0.00 -2.07 0.00 0.00 59.70 57.59 3nnk h MET 377 Cb 0.43 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.07 3nnk h MET 377 CO 0.06 0.20 0.23 1.15 1.07 0.00 0.00 176.91 179.62 3nnk h THR 378 N 0.31 1.06 -0.39 2.22 2.02 -1.38 -2.35 112.91 114.41 3nnk h THR 378 Ca 0.22 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 3nnk h THR 378 Cb 0.23 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3nnk h THR 378 CO -0.23 0.09 -0.12 0.74 0.37 0.00 0.00 175.52 176.37 3nnk h THR 379 N 0.47 1.28 -0.25 3.16 2.02 -1.14 -2.01 112.91 116.43 3nnk h THR 379 Ca 0.15 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 3nnk h THR 379 Cb -0.02 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3nnk h THR 379 CO -0.06 0.40 0.13 -0.07 0.37 0.00 0.00 175.52 176.30 3nnk h LEU 380 N 0.57 0.32 -0.79 2.58 3.38 -1.20 -0.14 115.31 120.03 3nnk h LEU 380 Ca 0.10 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3nnk h LEU 380 Cb 0.64 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3nnk h LEU 380 CO 0.04 0.34 -0.35 0.77 0.09 0.00 0.00 178.44 179.33 3nnk h SER 381 N 0.29 0.51 -0.25 -0.43 4.64 -1.43 -1.97 113.55 114.90 3nnk h SER 381 Ca 0.09 -0.21 -0.18 0.00 -0.47 0.00 0.00 61.79 61.02 3nnk h SER 381 Cb 0.09 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3nnk h SER 381 CO -0.01 0.83 -0.53 0.00 -0.87 0.00 0.00 176.83 176.25 3nnk h ALA 382 N 1.20 0.51 -0.03 5.18 0.00 -1.26 -1.14 119.26 123.73 3nnk h ALA 382 Ca 0.05 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3nnk h ALA 382 Cb 0.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3nnk h ALA 382 CO 0.07 0.68 0.01 1.25 0.00 0.00 0.00 179.25 181.26 3nnk h LEU 383 N 0.65 0.03 -0.74 0.00 6.46 -0.89 -1.07 115.31 119.75 3nnk h LEU 383 Ca 0.02 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 3nnk h LEU 383 Cb 1.13 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 3nnk h LEU 383 CO 0.12 0.12 0.42 -0.08 -0.62 0.00 0.00 178.44 178.40 3nnk h GLU 384 N -0.05 1.03 -0.36 1.25 4.81 -1.38 0.99 114.58 120.88 3nnk h GLU 384 Ca 0.01 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3nnk h GLU 384 Cb 0.09 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3nnk h GLU 384 CO -0.00 0.76 0.15 0.00 -0.73 0.00 0.00 179.01 179.19 3nnk h ALA 385 N 1.22 0.43 -0.41 2.92 0.00 -1.03 0.30 119.26 122.68 3nnk h ALA 385 Ca 0.26 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3nnk h ALA 385 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3nnk h ALA 385 CO -0.04 -0.23 0.00 0.28 0.00 0.00 0.00 179.25 179.26 3nnk h VAL 386 N 0.32 1.26 -0.61 0.00 2.07 -0.85 -0.77 116.25 117.66 3nnk h VAL 386 Ca 0.16 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 3nnk h VAL 386 Cb 0.10 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3nnk h VAL 386 CO -0.13 0.35 0.00 -0.07 0.02 0.00 0.00 177.57 177.74 3nnk h LEU 387 N 0.56 1.06 -0.89 2.57 3.38 -0.60 -1.65 115.31 119.74 3nnk h LEU 387 Ca 0.12 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3nnk h LEU 387 Cb 0.48 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3nnk h LEU 387 CO 0.02 1.11 0.03 0.78 0.09 0.00 0.00 178.44 180.47 3nnk h ASN 388 N 0.99 0.81 -0.12 -0.43 2.35 -0.33 -0.07 115.58 118.78 3nnk h ASN 388 Ca 0.17 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3nnk h ASN 388 Cb 0.56 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3nnk h ASN 388 CO 0.03 0.86 -0.04 0.22 -1.65 0.00 0.00 177.43 176.85 3nnk h TYR 389 N 0.80 0.38 -0.31 1.19 -0.00 -0.88 -2.16 116.97 115.99 3nnk h TYR 389 Ca 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.85 3nnk h TYR 389 Cb 0.43 -0.11 0.00 0.00 -0.00 0.00 0.00 36.73 37.05 3nnk h TYR 389 CO 0.02 0.42 0.00 1.28 -0.00 0.00 0.00 178.16 179.88 3nnk n LEU 390 N -4.30 3.03 -2.55 2.82 4.32 -0.64 -4.91 117.00 114.77 3nnk n LEU 390 Ca 0.00 -1.53 -0.18 0.00 -0.02 0.00 0.00 56.01 54.28 3nnk n LEU 390 Cb 0.23 -0.51 0.04 0.00 -1.62 0.00 0.00 43.42 41.56 3nnk n LEU 390 CO 0.38 0.45 0.06 0.29 -1.22 0.00 0.00 177.39 177.35 3nnk n LYS 391 N 0.38 -4.56 -3.52 3.23 4.01 -0.81 -5.01 118.16 111.89 3nnk n LYS 391 Ca 0.14 0.69 -0.42 0.00 -0.51 0.00 0.00 58.31 58.21 3nnk n LYS 391 Cb 0.62 -5.15 -0.10 0.00 -0.51 0.00 0.00 35.03 29.89 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 3nnk s PHE 392 N -3.10 3.24 0.25 2.13 5.36 -0.07 -5.02 117.98 120.77 3nnk s PHE 392 Ca 0.30 -0.71 -0.30 0.00 -0.96 0.00 0.00 56.93 55.26 3nnk s PHE 392 Cb -0.13 -2.52 -0.11 0.00 -0.34 0.00 0.00 43.02 39.92 3nnk s PHE 392 CO 0.38 -0.60 1.53 -2.14 -1.46 0.00 0.00 175.22 172.92 3nnk s PRO 393 N 1.63 4.20 0.03 10.12 0.02 -1.26 -4.06 135.00 145.67 3nnk s PRO 393 Ca 0.04 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3nnk s PRO 393 Cb -0.19 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 3nnk s PRO 393 CO 0.09 -0.54 -0.04 0.95 -0.33 0.00 0.00 177.00 177.13 3nnk s THR 394 N 0.22 0.18 -0.31 0.99 -4.23 -1.26 -4.98 115.64 106.25 3nnk s THR 394 Ca 0.63 -1.01 -0.29 0.00 -1.18 0.00 0.00 61.69 59.84 3nnk s THR 394 Cb -0.45 -0.42 -0.00 0.00 1.34 0.00 0.00 72.50 72.97 3nnk s THR 394 CO 0.43 -0.53 1.40 -0.89 -0.54 0.00 0.00 174.62 174.49 3nnk s THR 395 N -1.67 3.98 0.04 3.99 2.01 -1.26 -4.94 115.64 117.80 3nnk s THR 395 Ca -0.13 1.08 -0.35 0.00 0.31 0.00 0.00 61.69 62.60 3nnk s THR 395 Cb -0.08 -4.06 -0.14 0.00 0.01 0.00 0.00 72.50 68.22 3nnk s THR 395 CO -0.02 -0.50 1.59 1.67 -0.69 0.00 0.00 174.62 176.68 3nnk n GLN 396 N 7.58 1.77 0.00 4.92 7.27 -1.26 -1.98 117.38 135.68 3nnk n GLN 396 Ca 0.16 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.87 3nnk n GLN 396 Cb 0.47 -2.38 0.00 0.00 2.41 0.00 0.00 30.24 30.73 3nnk n GLN 396 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 397 N 3.46 2.87 0.20 1.69 0.00 -1.26 -4.91 105.19 107.24 3nnk n GLY 397 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 3nnk n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nnk h ALA 398 N 0.00 0.45 -0.20 4.61 0.00 -1.71 0.15 119.26 122.55 3nnk h ALA 398 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3nnk h ALA 398 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3nnk h ALA 398 CO 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 3nnk h ALA 399 N 1.45 0.17 -0.26 0.00 0.00 -1.77 0.15 119.26 118.99 3nnk h ALA 399 Ca 0.25 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 3nnk h ALA 399 Cb 0.37 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3nnk h ALA 399 CO -0.43 -0.44 -0.46 0.52 0.00 0.00 0.00 179.25 178.44 3nnk h MET 400 N 0.05 0.69 -0.10 0.00 2.86 -1.77 -2.81 114.93 113.85 3nnk h MET 400 Ca 0.10 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.37 3nnk h MET 400 Cb 0.12 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3nnk h MET 400 CO -0.17 1.00 -0.05 0.37 1.06 0.00 0.00 176.91 179.13 3nnk h GLN 401 N 0.55 -0.04 -0.88 1.72 5.75 -0.40 0.89 115.11 122.69 3nnk h GLN 401 Ca 0.03 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3nnk h GLN 401 Cb 1.01 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.52 3nnk h GLN 401 CO 0.10 -0.02 0.58 0.00 -2.65 0.00 0.00 178.83 176.83 3nnk h ALA 402 N 1.05 1.47 -0.01 3.38 0.00 -0.95 0.76 119.26 124.96 3nnk h ALA 402 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3nnk h ALA 402 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3nnk h ALA 402 CO -0.12 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.56 3nnk h ALA 403 N 1.49 0.02 -0.50 0.00 0.00 -1.21 -2.92 119.26 116.14 3nnk h ALA 403 Ca 0.36 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3nnk h ALA 403 Cb 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3nnk h ALA 403 CO -0.11 -0.26 0.25 -1.49 0.00 0.00 0.00 179.25 177.64 3nnk h TRP 404 N -0.41 0.45 -0.97 0.00 6.55 -0.49 -2.26 115.95 118.82 3nnk h TRP 404 Ca 0.00 0.02 0.06 0.00 0.95 0.00 0.00 58.89 59.92 3nnk h TRP 404 Cb 0.45 -0.13 -0.06 0.00 -0.86 0.00 0.00 29.16 28.56 3nnk h TRP 404 CO 0.08 0.22 0.63 -0.44 -1.05 0.00 0.00 178.44 177.87 3nnk h ASP 405 N 0.48 1.01 -0.48 -3.49 3.32 -0.92 -0.15 116.42 116.20 3nnk h ASP 405 Ca 0.22 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 3nnk h ASP 405 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3nnk h ASP 405 CO -0.16 0.66 0.08 -0.74 -1.72 0.00 0.00 179.24 177.35 3nnk h HIS 406 N 1.16 0.85 -0.25 4.55 2.76 -1.26 -0.59 115.15 122.37 3nnk h HIS 406 Ca 0.41 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 58.39 3nnk h HIS 406 Cb 0.13 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 3nnk h HIS 406 CO -0.01 0.78 -0.19 1.88 -1.30 0.00 0.00 177.93 179.10 3nnk h TYR 407 N 0.67 0.47 -0.19 5.26 0.05 -0.86 -2.45 116.97 119.92 3nnk h TYR 407 Ca 0.15 -0.08 -0.21 0.00 0.05 0.00 0.00 58.73 58.63 3nnk h TYR 407 Cb 0.39 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 38.02 3nnk h TYR 407 CO 0.03 0.60 -0.72 0.00 -1.05 0.00 0.00 178.16 177.02 3nnk h ARG 408 N 0.40 0.81 -0.51 4.88 -0.00 -0.86 -3.09 114.38 116.01 3nnk h ARG 408 Ca 0.07 -0.62 -0.09 0.00 -0.50 0.00 0.00 59.98 58.84 3nnk h ARG 408 Cb 0.55 0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.62 3nnk h ARG 408 CO 0.04 1.24 -0.04 0.77 0.00 0.00 0.00 179.97 181.97 3nnk h SER 409 N 0.57 0.86 0.96 7.04 0.02 -1.01 -3.04 113.55 118.95 3nnk h SER 409 Ca -0.03 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.59 3nnk h SER 409 Cb 1.34 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3nnk h SER 409 CO 0.15 0.94 -0.40 -0.33 -1.14 0.00 0.00 176.83 176.05 3nnk h GLU 410 N 0.81 0.00 -0.00 3.45 5.08 -1.51 -3.51 114.58 118.88 3nnk h GLU 410 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3nnk h GLU 410 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3nnk h GLU 410 CO 0.03 0.40 0.00 2.89 -1.00 0.00 0.00 179.01 181.33