#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk n ILE 3 N 0.00 0.00 0.17 2.12 0.13 -1.26 -3.76 119.36 116.76 3nnk n ILE 3 Ca 0.00 -0.02 0.03 0.00 -1.10 0.00 0.00 62.75 61.66 3nnk n ILE 3 Cb 0.00 -0.16 0.30 0.00 -0.84 0.00 0.00 39.64 38.94 3nnk n ILE 3 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3nnk h THR 4 N 0.16 1.16 -0.26 9.51 1.35 -2.10 -2.81 112.91 119.92 3nnk h THR 4 Ca 0.00 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 3nnk h THR 4 Cb 0.45 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3nnk h THR 4 CO 0.00 0.44 0.00 0.00 -0.25 0.00 0.00 175.52 175.71 3nnk n GLN 5 N -3.76 2.04 -3.63 4.72 10.64 -1.25 -4.41 117.38 121.73 3nnk n GLN 5 Ca -0.01 -1.10 -0.38 0.00 -1.83 0.00 0.00 57.00 53.68 3nnk n GLN 5 Cb 0.51 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 28.34 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 -1.65 3.60 0.79 2.61 0.40 -1.06 -5.09 117.98 117.58 3nnk s PHE 6 Ca 0.20 -2.70 -0.07 0.00 -0.60 0.00 0.00 56.93 53.76 3nnk s PHE 6 Cb 0.13 -3.31 0.13 0.00 0.51 0.00 0.00 43.02 40.48 3nnk s PHE 6 CO 0.10 -0.83 1.10 -1.54 0.70 0.00 0.00 175.22 174.75 3nnk s SER 7 N 0.67 4.07 0.83 1.36 1.04 -1.26 -5.05 113.70 115.35 3nnk s SER 7 Ca 0.20 0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.54 3nnk s SER 7 Cb -0.15 -0.38 0.07 0.00 0.10 0.00 0.00 66.02 65.66 3nnk s SER 7 CO -0.07 -2.08 0.98 0.00 0.98 0.00 0.00 173.24 173.06 3nnk n GLN 8 N -3.15 0.04 -1.77 4.02 10.64 -1.26 -4.88 117.38 121.03 3nnk n GLN 8 Ca 0.13 0.08 -0.42 0.00 -1.83 0.00 0.00 57.00 54.97 3nnk n GLN 8 Cb 0.60 -2.25 -0.03 0.00 -0.86 0.00 0.00 30.24 27.70 3nnk n GLN 8 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3nnk s LEU 9 N -4.29 4.40 -0.42 2.61 1.98 -1.26 -4.95 118.68 116.74 3nnk s LEU 9 Ca 0.69 2.63 0.04 0.00 -2.89 0.00 0.00 54.13 54.61 3nnk s LEU 9 Cb -0.28 -3.55 0.17 0.00 0.66 0.00 0.00 46.19 43.19 3nnk s LEU 9 CO 0.55 -0.99 0.44 0.21 -1.89 0.00 0.00 176.35 174.67 3nnk s ASN 10 N 3.21 0.74 0.36 3.68 3.04 -1.26 -5.14 114.94 119.56 3nnk s ASN 10 Ca 0.81 -2.29 -0.24 0.00 0.04 0.00 0.00 52.86 51.18 3nnk s ASN 10 Cb -0.43 0.40 -0.10 0.00 -1.54 0.00 0.00 41.25 39.58 3nnk s ASN 10 CO 0.36 -0.17 0.95 -2.16 -3.04 0.00 0.00 177.10 173.04 3nnk s PRO 11 N 0.69 4.45 0.58 0.43 0.04 -1.26 -5.04 135.00 134.89 3nnk s PRO 11 Ca 0.27 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 3nnk s PRO 11 Cb -0.04 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 3nnk s PRO 11 CO -0.10 0.16 1.08 -1.25 0.04 0.00 0.00 177.00 176.93 3nnk s PRO 12 N -2.44 3.28 0.09 0.56 0.04 -1.26 -4.97 135.00 130.32 3nnk s PRO 12 Ca 0.54 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 3nnk s PRO 12 Cb -0.16 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 3nnk s PRO 12 CO 0.20 -0.86 1.58 0.45 0.04 0.00 0.00 177.00 178.41 3nnk s SER 13 N -2.41 6.64 -0.03 6.66 0.15 -1.26 -5.01 113.70 118.44 3nnk s SER 13 Ca 0.67 2.47 0.01 0.00 0.70 0.00 0.00 55.95 59.80 3nnk s SER 13 Cb -0.19 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 3nnk s SER 13 CO 0.33 -0.83 -0.03 -0.13 1.20 0.00 0.00 173.24 173.79 3nnk s ARG 14 N 2.03 0.52 -0.56 5.44 1.81 -1.26 -4.85 118.95 122.07 3nnk s ARG 14 Ca 0.71 -0.04 -0.19 0.00 -1.72 0.00 0.00 55.73 54.48 3nnk s ARG 14 Cb -0.40 -0.59 0.08 0.00 -0.45 0.00 0.00 34.95 33.59 3nnk s ARG 14 CO 0.31 -0.07 0.69 -1.17 -0.68 0.00 0.00 175.30 174.39 3nnk s LEU 15 N 0.75 5.16 -0.62 2.53 2.96 0.49 -4.87 118.68 125.07 3nnk s LEU 15 Ca -0.09 -1.20 -0.25 0.00 -0.22 0.00 0.00 54.13 52.38 3nnk s LEU 15 Cb -0.12 -2.37 0.05 0.00 0.50 0.00 0.00 46.19 44.25 3nnk s LEU 15 CO -0.01 -1.05 1.03 -0.76 -1.32 0.00 0.00 176.35 174.24 3nnk s LEU 16 N 2.76 3.96 -0.21 -0.68 1.43 -1.26 -0.87 118.68 123.82 3nnk s LEU 16 Ca 0.14 -0.50 0.12 0.00 -1.03 0.00 0.00 54.13 52.85 3nnk s LEU 16 Cb -0.22 -2.70 0.41 0.00 0.03 0.00 0.00 46.19 43.71 3nnk s LEU 16 CO 0.09 -1.41 1.22 0.23 0.23 0.00 0.00 176.35 176.70 3nnk n MET 17 N 7.95 1.57 0.00 1.70 2.81 0.73 -4.49 117.12 127.38 3nnk n MET 17 Ca 0.01 -3.25 0.00 0.00 -1.81 0.00 0.00 57.70 52.66 3nnk n MET 17 Cb 0.47 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.15 1.16 0.07 3.03 0.00 -0.90 -0.05 105.19 107.36 3nnk n GLY 18 Ca 0.19 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 0.20 0.00 1.61 -0.04 -1.26 -2.80 135.00 132.71 3nnk n PRO 19 Ca 0.00 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3nnk n PRO 19 Cb 0.00 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 1.36 3.97 3.76 0.55 0.00 -1.26 -4.93 105.19 108.64 3nnk n GLY 20 Ca 0.06 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.72 2.36 0.31 1.61 0.04 -1.26 -5.15 135.00 129.18 3nnk s PRO 21 Ca 0.00 1.28 0.11 0.00 0.04 0.00 0.00 61.00 62.43 3nnk s PRO 21 Cb 0.00 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 3nnk s PRO 21 CO 0.00 -1.58 -0.13 0.96 0.04 0.00 0.00 177.00 176.29 3nnk s ILE 22 N -2.68 2.48 0.16 0.56 -5.25 -1.01 -4.86 121.20 110.60 3nnk s ILE 22 Ca 0.64 -2.26 -0.34 0.00 -0.99 0.00 0.00 60.65 57.70 3nnk s ILE 22 Cb -0.19 -2.51 -0.15 0.00 2.95 0.00 0.00 42.46 42.56 3nnk s ILE 22 CO 0.51 -0.31 1.29 0.59 -1.79 0.00 0.00 174.94 175.23 3nnk n ASN 23 N -0.73 1.79 -4.83 4.36 4.13 -1.26 -4.87 115.26 113.84 3nnk n ASN 23 Ca -0.05 1.13 -0.33 0.00 1.68 0.00 0.00 54.58 57.01 3nnk n ASN 23 Cb 0.61 -1.26 -0.06 0.00 -1.54 0.00 0.00 39.78 37.53 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 0.12 3.23 0.10 5.41 0.00 -1.26 -4.48 121.76 124.88 3nnk s ALA 24 Ca 0.76 0.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.60 3nnk s ALA 24 Cb -0.84 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 3nnk s ALA 24 CO 0.49 0.26 1.61 0.34 0.00 0.00 0.00 175.76 178.46 3nnk s ASP 25 N -2.17 6.61 0.55 0.00 -1.08 -0.64 -4.90 116.67 115.03 3nnk s ASP 25 Ca 0.56 2.52 0.24 0.00 -0.52 0.00 0.00 52.55 55.35 3nnk s ASP 25 Cb -0.11 -2.57 1.47 0.00 -1.46 0.00 0.00 42.92 40.25 3nnk s ASP 25 CO 0.16 -0.86 2.09 -0.65 0.52 0.00 0.00 175.17 176.44 3nnk h PRO 26 N 7.77 0.00 -0.36 4.34 0.11 -1.95 -0.27 132.00 141.65 3nnk h PRO 26 Ca -0.43 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 3nnk h PRO 26 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3nnk h PRO 26 CO 0.92 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.68 3nnk h ARG 27 N 0.00 0.57 -0.12 1.05 -0.00 -1.95 -0.46 114.38 113.47 3nnk h ARG 27 Ca 0.11 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.98 59.28 3nnk h ARG 27 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 3nnk h ARG 27 CO -0.00 0.62 -0.65 0.28 0.00 0.00 0.00 179.97 180.22 3nnk h VAL 28 N 0.54 1.35 -0.54 2.04 2.07 -1.36 -2.31 116.25 118.04 3nnk h VAL 28 Ca 0.11 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.60 3nnk h VAL 28 Cb 0.39 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3nnk h VAL 28 CO 0.02 0.60 0.13 -0.07 0.02 0.00 0.00 177.57 178.27 3nnk h LEU 29 N 0.34 0.83 -0.99 2.57 3.38 -1.12 -2.85 115.31 117.47 3nnk h LEU 29 Ca -0.01 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3nnk h LEU 29 Cb 1.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3nnk h LEU 29 CO 0.12 0.85 -0.28 0.03 0.09 0.00 0.00 178.44 179.24 3nnk h ARG 30 N 0.77 0.39 -0.48 1.13 3.08 -1.07 -2.80 114.38 115.40 3nnk h ARG 30 Ca 0.17 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3nnk h ARG 30 Cb 0.34 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3nnk h ARG 30 CO 0.00 0.64 0.20 0.00 -1.07 0.00 0.00 179.97 179.74 3nnk h ALA 31 N 1.36 1.46 0.00 0.04 0.00 -1.25 -2.70 119.26 118.17 3nnk h ALA 31 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3nnk h ALA 31 Cb 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3nnk h ALA 31 CO 0.05 0.42 0.00 0.52 0.00 0.00 0.00 179.25 180.24 3nnk h MET 32 N 0.67 0.00 -0.00 0.00 2.86 -1.27 -2.99 114.93 114.21 3nnk h MET 32 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3nnk h MET 32 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3nnk h MET 32 CO -0.02 0.00 -0.07 -1.13 1.06 0.00 0.00 176.91 176.75 3nnk n SER 33 N -2.89 0.16 -4.77 1.22 3.41 -1.02 -4.89 113.62 104.85 3nnk n SER 33 Ca 0.02 -0.07 -0.35 0.00 -0.26 0.00 0.00 58.87 58.21 3nnk n SER 33 Cb 0.34 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.71 5.49 0.62 4.04 0.15 -1.13 -5.02 113.70 115.13 3nnk s SER 34 Ca 0.23 2.21 -0.12 0.00 0.70 0.00 0.00 55.95 58.96 3nnk s SER 34 Cb 0.20 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 3nnk s SER 34 CO 0.51 -1.38 1.03 -1.58 1.20 0.00 0.00 173.24 173.02 3nnk s GLN 35 N -3.41 3.44 0.19 5.44 2.00 -1.26 -4.99 119.66 121.07 3nnk s GLN 35 Ca 0.73 0.89 -0.07 0.00 -2.00 0.00 0.00 55.36 54.92 3nnk s GLN 35 Cb -0.25 -2.06 -0.06 0.00 0.80 0.00 0.00 33.01 31.44 3nnk s GLN 35 CO 0.31 -0.70 0.46 -0.51 -0.50 0.00 0.00 175.29 174.35 3nnk s LEU 36 N -5.02 4.21 0.33 3.68 1.43 -1.26 -5.08 118.68 116.97 3nnk s LEU 36 Ca 0.57 0.74 0.10 0.00 -1.03 0.00 0.00 54.13 54.51 3nnk s LEU 36 Cb -0.12 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 3nnk s LEU 36 CO 0.49 -0.02 -0.04 0.27 0.23 0.00 0.00 176.35 177.28 3nnk s ILE 37 N -1.75 2.59 0.90 -0.59 -0.00 -1.26 -5.13 121.20 115.95 3nnk s ILE 37 Ca 0.44 -2.08 -0.11 0.00 -0.00 0.00 0.00 60.65 58.90 3nnk s ILE 37 Cb -0.12 -2.70 0.13 0.00 -0.00 0.00 0.00 42.46 39.77 3nnk s ILE 37 CO 0.23 -0.24 1.13 0.61 -0.00 0.00 0.00 174.94 176.67 3nnk n GLY 38 N -0.87 -0.37 0.16 6.27 0.00 -1.26 -4.93 105.19 104.20 3nnk n GLY 38 Ca -0.05 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 3nnk n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3nnk h GLN 39 N -1.68 0.08 -0.57 1.61 4.15 -2.00 -2.84 115.11 113.86 3nnk h GLN 39 Ca -0.44 -0.00 -0.15 0.00 0.77 0.00 0.00 58.65 58.83 3nnk h GLN 39 Cb 1.28 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.86 3nnk h GLN 39 CO 0.42 0.05 0.15 0.66 -1.93 0.00 0.00 178.83 178.18 3nnk n TYR 40 N -5.22 1.90 -1.90 3.99 4.01 -1.26 -4.61 117.16 114.07 3nnk n TYR 40 Ca 0.02 -1.16 -0.41 0.00 -0.16 0.00 0.00 57.90 56.19 3nnk n TYR 40 Cb 0.21 -0.57 -0.01 0.00 -0.31 0.00 0.00 39.34 38.66 3nnk n TYR 40 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3nnk s ASP 41 N -1.45 6.48 0.58 7.72 -1.08 -1.07 -4.89 116.67 122.96 3nnk s ASP 41 Ca 0.51 2.93 0.29 0.00 -0.52 0.00 0.00 52.55 55.76 3nnk s ASP 41 Cb 0.41 -2.66 1.45 0.00 -1.46 0.00 0.00 42.92 40.66 3nnk s ASP 41 CO 0.11 -0.77 1.86 -0.65 0.52 0.00 0.00 175.17 176.24 3nnk h PRO 42 N 3.17 0.00 0.07 4.34 0.11 -1.94 -0.77 132.00 136.98 3nnk h PRO 42 Ca -0.50 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.36 3nnk h PRO 42 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3nnk h PRO 42 CO 0.65 0.00 -1.19 0.00 -0.21 0.00 0.00 178.00 177.25 3nnk h ALA 43 N 1.42 0.24 -0.21 -0.75 0.00 -1.94 -3.10 119.26 114.92 3nnk h ALA 43 Ca 0.27 -0.94 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 3nnk h ALA 43 Cb 1.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3nnk h ALA 43 CO -0.00 1.13 -0.19 1.98 0.00 0.00 0.00 179.25 182.17 3nnk h MET 44 N 0.04 0.50 -0.09 0.00 -1.53 -1.42 -2.08 114.93 110.34 3nnk h MET 44 Ca -0.10 -0.26 -0.10 0.00 -3.44 0.00 0.00 59.70 55.80 3nnk h MET 44 Cb 1.89 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.94 3nnk h MET 44 CO 0.16 0.83 -0.41 1.79 0.14 0.00 0.00 176.91 179.43 3nnk h THR 45 N 0.19 1.31 -0.29 -0.77 1.35 -1.62 -1.05 112.91 112.03 3nnk h THR 45 Ca 0.04 -1.51 -0.05 0.00 -0.55 0.00 0.00 66.41 64.34 3nnk h THR 45 Cb 0.73 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3nnk h THR 45 CO 0.05 0.45 -0.02 -0.74 -0.25 0.00 0.00 175.52 175.01 3nnk h HIS 46 N 0.18 0.58 -0.63 4.73 6.17 -1.52 0.11 115.15 124.77 3nnk h HIS 46 Ca 0.02 -0.11 -0.04 0.00 0.71 0.00 0.00 60.37 60.94 3nnk h HIS 46 Cb 0.80 -0.15 -0.03 0.00 2.52 0.00 0.00 27.41 30.55 3nnk h HIS 46 CO 0.01 0.69 0.22 1.88 0.71 0.00 0.00 177.93 181.44 3nnk h TYR 47 N 0.31 0.96 -0.44 5.26 0.99 -1.23 0.34 116.97 123.17 3nnk h TYR 47 Ca 0.08 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3nnk h TYR 47 Cb 0.47 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.89 3nnk h TYR 47 CO 0.04 0.76 0.22 0.52 -0.00 0.00 0.00 178.16 179.70 3nnk h MET 48 N 0.92 0.63 -0.32 4.88 2.86 -1.05 0.70 114.93 123.56 3nnk h MET 48 Ca 0.21 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3nnk h MET 48 Cb 0.23 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3nnk h MET 48 CO -0.01 0.52 -0.10 -0.91 1.06 0.00 0.00 176.91 177.47 3nnk h ASN 49 N 0.57 0.51 -0.40 1.22 -0.26 -0.61 -1.54 115.58 115.07 3nnk h ASN 49 Ca 0.15 -0.13 -0.06 0.00 -0.56 0.00 0.00 56.30 55.70 3nnk h ASN 49 Cb 0.09 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 3nnk h ASN 49 CO -0.02 0.65 0.01 -0.33 -1.06 0.00 0.00 177.43 176.68 3nnk h GLU 50 N 0.49 0.71 -0.54 0.81 5.08 -0.70 -2.60 114.58 117.83 3nnk h GLU 50 Ca 0.09 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3nnk h GLU 50 Cb 0.47 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 3nnk h GLU 50 CO 0.03 0.79 0.26 0.28 -1.00 0.00 0.00 179.01 179.36 3nnk h VAL 51 N 0.54 0.91 -0.54 3.13 2.07 -0.42 0.19 116.25 122.13 3nnk h VAL 51 Ca 0.12 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3nnk h VAL 51 Cb 0.46 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3nnk h VAL 51 CO 0.02 0.09 0.33 0.24 0.02 0.00 0.00 177.57 178.27 3nnk h MET 52 N 0.49 0.65 -0.39 1.57 2.86 -1.24 -1.83 114.93 117.03 3nnk h MET 52 Ca 0.25 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.75 3nnk h MET 52 Cb 0.19 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3nnk h MET 52 CO -0.19 0.43 -0.14 0.00 1.06 0.00 0.00 176.91 178.06 3nnk h ALA 53 N 1.23 0.55 -0.55 6.32 0.00 -1.04 -2.88 119.26 122.88 3nnk h ALA 53 Ca 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 53 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3nnk h ALA 53 CO -0.08 0.46 0.27 -0.07 0.00 0.00 0.00 179.25 179.82 3nnk h LEU 54 N 0.60 0.72 -0.80 0.00 3.38 -0.40 -2.82 115.31 115.99 3nnk h LEU 54 Ca 0.09 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3nnk h LEU 54 Cb 0.68 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3nnk h LEU 54 CO 0.05 0.65 -0.32 1.88 0.09 0.00 0.00 178.44 180.78 3nnk h TYR 55 N 0.75 0.00 -0.55 1.13 0.05 -1.39 -2.48 116.97 114.48 3nnk h TYR 55 Ca 0.19 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.00 3nnk h TYR 55 Cb 0.11 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 3nnk h TYR 55 CO -0.00 0.32 0.37 0.00 -1.05 0.00 0.00 178.16 177.80 3nnk h ARG 56 N 0.00 0.64 -0.12 4.88 3.08 -1.27 0.20 114.38 121.79 3nnk h ARG 56 Ca -0.00 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 3nnk h ARG 56 Cb 0.93 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3nnk h ARG 56 CO 0.04 0.43 -0.65 0.78 -1.07 0.00 0.00 179.97 179.49 3nnk h GLY 57 N 0.66 0.50 0.47 0.04 0.00 -1.32 -1.60 103.07 101.81 3nnk h GLY 57 Ca 0.22 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3nnk h GLY 57 CO -0.06 0.58 -0.03 -2.08 0.00 0.00 0.00 176.54 174.95 3nnk h VAL 58 N 0.33 1.44 0.00 4.60 2.07 -1.01 -3.21 116.25 120.47 3nnk h VAL 58 Ca -0.02 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3nnk h VAL 58 Cb 1.21 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3nnk h VAL 58 CO 0.12 0.36 0.00 0.49 0.02 0.00 0.00 177.57 178.55 3nnk n PHE 59 N -4.78 0.29 -3.32 1.57 3.72 0.60 -4.91 117.46 110.64 3nnk n PHE 59 Ca -0.08 0.11 -0.16 0.00 -0.05 0.00 0.00 57.45 57.26 3nnk n PHE 59 Cb 0.30 -0.68 0.07 0.00 -0.94 0.00 0.00 39.48 38.24 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 -1.76 -3.55 -4.13 -1.08 5.12 -1.11 -2.68 116.66 107.47 3nnk n ARG 60 Ca 0.04 0.85 -0.10 0.00 -1.93 0.00 0.00 57.85 56.71 3nnk n ARG 60 Cb 0.22 -5.81 -0.09 0.00 -1.16 0.00 0.00 32.46 25.61 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 -3.39 0.07 -0.31 0.55 -1.32 -0.62 -3.08 115.64 107.54 3nnk s THR 61 Ca 0.32 -1.85 0.07 0.00 -1.21 0.00 0.00 61.69 59.02 3nnk s THR 61 Cb -0.04 -2.14 0.18 0.00 -1.51 0.00 0.00 72.50 68.99 3nnk s THR 61 CO 0.74 -0.32 1.13 -0.62 -2.21 0.00 0.00 174.62 173.35 3nnk n GLU 62 N -0.16 2.73 -1.67 7.08 1.02 -1.26 -4.53 120.64 123.85 3nnk n GLU 62 Ca -0.04 -1.93 -0.44 0.00 -0.02 0.00 0.00 57.16 54.74 3nnk n GLU 62 Cb 0.64 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.32 3.96 -0.24 1.62 3.02 -1.26 -4.88 115.26 117.16 3nnk n ASN 63 Ca 0.08 0.93 0.02 0.00 -0.03 0.00 0.00 54.58 55.58 3nnk n ASN 63 Cb 0.41 -1.49 0.25 0.00 -0.61 0.00 0.00 39.78 38.35 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 9.90 0.97 -3.15 3.52 2.43 -1.97 -3.26 114.38 122.82 3nnk h ARG 64 Ca -0.49 -0.06 -0.77 0.00 -0.81 0.00 0.00 59.98 57.85 3nnk h ARG 64 Cb 1.25 -0.22 -0.18 0.00 -0.42 0.00 0.00 29.97 30.40 3nnk h ARG 64 CO 0.94 0.64 1.77 0.91 -1.51 0.00 0.00 179.97 182.73 3nnk n TRP 65 N -4.45 2.70 -4.04 2.20 7.02 -1.26 -4.89 117.44 114.71 3nnk n TRP 65 Ca 0.10 -2.73 -0.33 0.00 -1.02 0.00 0.00 57.50 53.52 3nnk n TRP 65 Cb 0.11 -1.73 -0.15 0.00 -2.42 0.00 0.00 31.31 27.11 3nnk n TRP 65 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3nnk s THR 66 N -0.84 2.45 0.00 -0.99 2.01 -1.23 -0.71 115.64 116.32 3nnk s THR 66 Ca 0.40 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3nnk s THR 66 Cb 0.11 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.45 3nnk s THR 66 CO 0.00 0.34 0.00 1.15 -0.69 0.00 0.00 174.62 175.42 3nnk n MET 67 N 4.62 0.00 -4.84 4.92 0.00 0.26 -4.34 117.12 117.74 3nnk n MET 67 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.22 3nnk n MET 67 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.56 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 2.21 -0.15 3.17 1.43 -1.26 0.12 118.68 124.20 3nnk s LEU 68 Ca 0.00 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 3nnk s LEU 68 Cb 0.00 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3nnk s LEU 68 CO 0.00 0.25 -0.02 -0.69 0.23 0.00 0.00 176.35 176.12 3nnk s VAL 69 N -0.84 4.06 -0.79 -1.59 1.01 0.22 -4.94 120.40 117.54 3nnk s VAL 69 Ca 0.12 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 3nnk s VAL 69 Cb -0.10 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.57 3nnk s VAL 69 CO 0.03 0.51 1.18 -1.81 0.00 0.00 0.00 175.10 175.00 3nnk s ASP 70 N 0.17 6.29 0.00 3.32 -0.00 -1.26 -0.62 116.67 124.57 3nnk s ASP 70 Ca -0.01 -1.04 0.00 0.00 -0.00 0.00 0.00 52.55 51.51 3nnk s ASP 70 Cb -0.13 -2.49 0.00 0.00 -0.00 0.00 0.00 42.92 40.30 3nnk s ASP 70 CO 0.02 -1.53 0.00 0.61 -0.00 0.00 0.00 175.17 174.27 3nnk n GLY 71 N 5.65 2.55 3.68 0.21 0.00 -0.43 -5.00 105.19 111.85 3nnk n GLY 71 Ca 0.09 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 3nnk n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nnk s THR 72 N -2.00 2.21 0.19 2.61 -4.23 -1.26 -2.29 115.64 110.87 3nnk s THR 72 Ca 0.00 0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.50 3nnk s THR 72 Cb 0.00 -2.54 0.28 0.00 1.34 0.00 0.00 72.50 71.58 3nnk s THR 72 CO 0.00 -0.09 1.15 -1.20 -0.54 0.00 0.00 174.62 173.94 3nnk n SER 73 N -4.13 -0.34 0.02 3.99 7.64 -1.26 0.07 113.62 119.60 3nnk n SER 73 Ca 0.06 1.28 0.09 0.00 1.01 0.00 0.00 58.87 61.30 3nnk n SER 73 Cb 0.57 -0.35 0.39 0.00 -1.01 0.00 0.00 64.21 63.80 3nnk n SER 73 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3nnk n ARG 74 N -5.16 0.03 0.04 1.43 1.85 -1.26 -1.97 116.66 111.62 3nnk n ARG 74 Ca 0.10 0.22 -0.13 0.00 -1.00 0.00 0.00 57.85 57.05 3nnk n ARG 74 Cb 0.34 -1.55 -0.02 0.00 -1.05 0.00 0.00 32.46 30.18 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 2.57 0.45 -0.26 2.89 0.00 -0.67 -1.47 119.26 122.77 3nnk h ALA 75 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.12 3nnk h ALA 75 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3nnk h ALA 75 CO 0.00 0.76 -0.45 0.78 0.00 0.00 0.00 179.25 180.34 3nnk h GLY 76 N 1.09 0.73 0.98 0.00 0.00 -1.43 0.11 103.07 104.55 3nnk h GLY 76 Ca -0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 3nnk h GLY 76 CO 0.15 0.70 -0.03 -2.22 0.00 0.00 0.00 176.54 175.13 3nnk h ILE 77 N 0.54 0.95 -0.31 2.60 2.04 -1.52 -1.78 117.51 120.02 3nnk h ILE 77 Ca 0.04 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3nnk h ILE 77 Cb 0.99 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3nnk h ILE 77 CO 0.09 0.01 0.03 -0.08 0.00 0.00 0.00 178.15 178.20 3nnk h GLU 78 N -0.11 0.46 -0.31 2.37 4.81 -1.12 -0.21 114.58 120.48 3nnk h GLU 78 Ca -0.01 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3nnk h GLU 78 Cb 0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3nnk h GLU 78 CO 0.02 0.47 0.13 0.00 -0.73 0.00 0.00 179.01 178.90 3nnk h ALA 79 N 1.59 0.40 -0.20 2.92 0.00 -0.58 -0.07 119.26 123.31 3nnk h ALA 79 Ca 0.10 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 79 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3nnk h ALA 79 CO 0.00 -0.02 -0.47 0.82 0.00 0.00 0.00 179.25 179.58 3nnk h ILE 80 N 0.35 1.31 -0.06 0.00 2.04 -0.87 -2.47 117.51 117.81 3nnk h ILE 80 Ca 0.10 -1.68 -0.16 0.00 1.00 0.00 0.00 64.86 64.13 3nnk h ILE 80 Cb 0.16 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3nnk h ILE 80 CO -0.01 0.52 -0.59 -0.07 0.00 0.00 0.00 178.15 178.00 3nnk h LEU 81 N 0.41 0.62 -1.08 1.44 3.38 -0.97 -2.54 115.31 116.57 3nnk h LEU 81 Ca 0.02 -0.69 -0.06 0.00 0.09 0.00 0.00 57.88 57.24 3nnk h LEU 81 Cb 0.98 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3nnk h LEU 81 CO 0.09 1.22 0.00 0.58 0.09 0.00 0.00 178.44 180.42 3nnk h VAL 82 N 0.08 1.22 0.02 1.22 2.07 -1.04 -0.56 116.25 119.26 3nnk h VAL 82 Ca -0.06 -0.89 -0.21 0.00 0.82 0.00 0.00 66.70 66.37 3nnk h VAL 82 Cb 1.26 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3nnk h VAL 82 CO 0.12 0.31 -0.96 0.28 0.02 0.00 0.00 177.57 177.34 3nnk h SER 83 N 0.62 0.11 0.43 0.57 0.02 -1.50 -3.34 113.55 110.45 3nnk h SER 83 Ca 0.13 -0.10 -0.31 0.00 -0.84 0.00 0.00 61.79 60.67 3nnk h SER 83 Cb 0.38 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 3nnk h SER 83 CO 0.01 1.00 -1.74 0.00 -1.14 0.00 0.00 176.83 174.97 3nnk h ALA 84 N 0.98 0.66 -2.57 3.77 0.00 -1.36 -3.42 119.26 117.32 3nnk h ALA 84 Ca -0.03 -1.41 -0.63 0.00 0.00 0.00 0.00 54.91 52.83 3nnk h ALA 84 Cb 1.66 0.50 -0.14 0.00 0.00 0.00 0.00 17.79 19.82 3nnk h ALA 84 CO 0.13 1.49 -0.07 0.42 0.00 0.00 0.00 179.25 181.23 3nnk s ILE 85 N -2.59 5.07 0.38 0.00 1.01 -0.23 -5.02 121.20 119.81 3nnk s ILE 85 Ca -0.09 0.66 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 3nnk s ILE 85 Cb 0.08 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3nnk s ILE 85 CO 0.81 0.01 0.77 -0.13 0.00 0.00 0.00 174.94 176.40 3nnk s ARG 86 N 2.29 3.88 0.18 2.79 3.00 -1.26 -4.82 118.95 125.01 3nnk s ARG 86 Ca 0.19 0.57 -0.32 0.00 0.00 0.00 0.00 55.73 56.18 3nnk s ARG 86 Cb -0.16 -2.40 -0.11 0.00 0.00 0.00 0.00 34.95 32.29 3nnk s ARG 86 CO 0.11 0.03 1.68 -2.14 0.00 0.00 0.00 175.30 174.98 3nnk s PRO 87 N -3.50 4.16 0.00 3.54 0.02 -1.26 -1.96 135.00 136.00 3nnk s PRO 87 Ca 0.53 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.06 3nnk s PRO 87 Cb -0.10 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3nnk s PRO 87 CO 0.26 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 3nnk n GLY 88 N 3.93 2.93 3.66 0.52 0.00 -0.08 -4.99 105.19 111.15 3nnk n GLY 88 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3nnk n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nnk n ASP 89 N 0.00 2.24 -4.75 1.61 8.00 -0.83 -4.42 116.55 118.40 3nnk n ASP 89 Ca 0.00 1.19 -0.39 0.00 0.71 0.00 0.00 54.79 56.30 3nnk n ASP 89 Cb 0.00 -1.41 -0.05 0.00 -0.02 0.00 0.00 41.12 39.64 3nnk n ASP 89 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3nnk s LYS 90 N -1.56 4.35 0.04 -1.24 1.02 -1.26 -0.94 119.74 120.16 3nnk s LYS 90 Ca 0.58 0.75 0.05 0.00 0.02 0.00 0.00 55.97 57.38 3nnk s LYS 90 Cb -0.63 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.28 3nnk s LYS 90 CO 0.60 0.27 -0.16 0.08 -0.92 0.00 0.00 175.35 175.22 3nnk s VAL 91 N 0.13 1.24 -0.12 3.17 1.01 -0.29 -0.40 120.40 125.14 3nnk s VAL 91 Ca 0.32 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3nnk s VAL 91 Cb -0.18 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3nnk s VAL 91 CO 0.17 0.02 -0.18 -0.22 0.00 0.00 0.00 175.10 174.89 3nnk s LEU 92 N -1.22 1.88 -0.25 3.92 2.96 -0.85 -0.40 118.68 124.72 3nnk s LEU 92 Ca 0.03 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3nnk s LEU 92 Cb -0.08 -1.23 0.06 0.00 0.50 0.00 0.00 46.19 45.44 3nnk s LEU 92 CO 0.02 0.05 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.32 3nnk s VAL 93 N 0.88 1.86 -0.33 1.68 1.01 0.07 -0.97 120.40 124.60 3nnk s VAL 93 Ca -0.08 -1.46 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 3nnk s VAL 93 Cb -0.15 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3nnk s VAL 93 CO -0.01 -0.08 1.73 -2.84 0.00 0.00 0.00 175.10 173.89 3nnk s PRO 94 N 1.24 3.43 -0.24 2.72 0.02 -1.23 -3.18 135.00 137.76 3nnk s PRO 94 Ca -0.07 1.40 -0.13 0.00 0.02 0.00 0.00 61.00 62.21 3nnk s PRO 94 Cb -0.19 -4.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.13 3nnk s PRO 94 CO -0.06 -1.75 0.29 0.08 -0.33 0.00 0.00 177.00 175.23 3nnk s VAL 95 N 6.47 5.26 -0.01 3.83 1.01 -0.17 -4.65 120.40 132.14 3nnk s VAL 95 Ca 0.76 0.43 0.08 0.00 0.00 0.00 0.00 61.98 63.25 3nnk s VAL 95 Cb -0.22 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.67 3nnk s VAL 95 CO 0.33 0.26 1.05 2.22 0.00 0.00 0.00 175.10 178.96 3nnk n PHE 96 N 4.70 0.00 -3.46 5.22 1.16 -1.26 -2.23 117.46 121.59 3nnk n PHE 96 Ca -0.11 -0.17 0.00 0.00 -1.87 0.00 0.00 57.45 55.29 3nnk n PHE 96 Cb 0.51 -0.08 0.00 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 0.08 -1.27 0.37 4.97 0.00 -1.26 -4.65 105.19 103.44 3nnk n GLY 97 Ca 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 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 1.23 0.00 1.61 1.12 -1.95 -2.67 114.38 113.72 3nnk h ARG 98 Ca 0.00 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 3nnk h ARG 98 Cb 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 29.97 29.68 3nnk h ARG 98 CO 0.00 0.81 -0.00 0.74 -3.11 0.00 0.00 179.97 178.41 3nnk h PHE 99 N 1.27 0.00 -0.71 2.20 0.04 -1.97 -2.71 116.94 115.05 3nnk h PHE 99 Ca 0.35 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.10 3nnk h PHE 99 Cb -0.13 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 3nnk h PHE 99 CO -0.00 0.00 0.38 0.78 -0.60 0.00 0.00 178.31 178.87 3nnk h GLY 100 N 4.42 1.08 1.96 -1.45 0.00 -1.80 -2.51 103.07 104.76 3nnk h GLY 100 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3nnk h GLY 100 CO 0.00 0.48 -0.35 0.45 0.00 0.00 0.00 176.54 177.12 3nnk h HIS 101 N 0.99 0.05 -0.37 5.60 3.86 -1.51 -2.82 115.15 120.95 3nnk h HIS 101 Ca 0.25 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3nnk h HIS 101 Cb 0.06 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3nnk h HIS 101 CO 0.00 0.40 0.16 1.25 0.86 0.00 0.00 177.93 180.59 3nnk h LEU 102 N 0.04 0.51 -1.29 2.43 5.85 -1.27 -2.05 115.31 119.53 3nnk h LEU 102 Ca 0.00 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3nnk h LEU 102 Cb 0.65 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3nnk h LEU 102 CO 0.05 0.52 0.21 -0.07 -0.34 0.00 0.00 178.44 178.81 3nnk h LEU 103 N 0.46 0.63 -0.15 2.25 3.38 -1.32 -1.65 115.31 118.91 3nnk h LEU 103 Ca 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3nnk h LEU 103 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3nnk h LEU 103 CO -0.01 0.56 0.07 0.00 0.09 0.00 0.00 178.44 179.15 3nnk h GLU 105 N 0.10 0.79 -0.32 0.00 4.39 -1.09 -1.02 114.58 117.43 3nnk h GLU 105 Ca 0.05 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3nnk h GLU 105 Cb 0.14 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3nnk h GLU 105 CO -0.01 0.76 0.10 0.82 -1.16 0.00 0.00 179.01 179.53 3nnk h ILE 106 N 0.68 1.21 -0.95 3.13 2.04 -1.31 -2.03 117.51 120.28 3nnk h ILE 106 Ca 0.16 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.35 3nnk h ILE 106 Cb 0.32 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3nnk h ILE 106 CO 0.00 0.23 0.61 0.00 0.00 0.00 0.00 178.15 178.99 3nnk h ALA 107 N 0.93 1.20 -0.92 1.87 0.00 -1.30 -2.55 119.26 118.50 3nnk h ALA 107 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3nnk h ALA 107 Cb 0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3nnk h ALA 107 CO -0.00 0.62 0.61 -0.09 0.00 0.00 0.00 179.25 180.38 3nnk h ARG 108 N 1.29 1.20 -0.00 0.00 2.43 -0.89 -1.90 114.38 116.50 3nnk h ARG 108 Ca 0.35 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3nnk h ARG 108 Cb -0.12 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.16 3nnk h ARG 108 CO -0.07 0.79 -0.03 0.54 -1.51 0.00 0.00 179.97 179.69 3nnk n ARG 109 N -4.40 0.48 -0.12 0.20 1.74 -0.79 -1.21 116.66 112.56 3nnk n ARG 109 Ca 0.11 -0.05 0.10 0.00 -0.77 0.00 0.00 57.85 57.24 3nnk n ARG 109 Cb 0.03 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.28 3nnk n ARG 109 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk n ARG 111 N 0.54 -7.52 -3.08 0.00 1.74 -0.35 -4.07 116.66 103.91 3nnk n ARG 111 Ca 0.16 0.80 -0.25 0.00 -0.77 0.00 0.00 57.85 57.79 3nnk n ARG 111 Cb 0.36 -5.74 -0.01 0.00 -1.02 0.00 0.00 32.46 26.05 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 -3.30 3.59 -0.36 7.54 0.00 -0.95 -0.90 121.76 127.38 3nnk s ALA 112 Ca 0.55 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 3nnk s ALA 112 Cb -0.24 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.60 3nnk s ALA 112 CO 0.68 -0.17 0.73 -2.00 0.00 0.00 0.00 175.76 175.00 3nnk s GLU 113 N -4.49 3.71 -0.31 0.00 2.12 -0.12 -4.62 118.70 115.00 3nnk s GLU 113 Ca 0.43 0.20 -0.16 0.00 0.36 0.00 0.00 54.97 55.80 3nnk s GLU 113 Cb -0.10 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.46 3nnk s GLU 113 CO 0.39 -0.82 0.43 0.08 -0.54 0.00 0.00 175.26 174.81 3nnk s VAL 114 N 2.96 5.11 -0.08 3.70 1.01 -1.26 -1.13 120.40 130.71 3nnk s VAL 114 Ca 0.29 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 3nnk s VAL 114 Cb -0.14 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3nnk s VAL 114 CO 0.16 -0.01 -0.03 -1.00 0.00 0.00 0.00 175.10 174.22 3nnk s HIS 115 N 2.19 3.07 0.05 5.22 3.76 0.47 -4.99 115.29 125.06 3nnk s HIS 115 Ca 0.16 0.12 0.03 0.00 -0.15 0.00 0.00 55.06 55.22 3nnk s HIS 115 Cb -0.16 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 3nnk s HIS 115 CO 0.11 0.41 -0.10 0.95 -0.85 0.00 0.00 174.74 175.26 3nnk s THR 116 N -0.83 0.72 0.13 1.30 -4.23 -1.26 -0.75 115.64 110.72 3nnk s THR 116 Ca 0.13 -1.18 0.08 0.00 -1.18 0.00 0.00 61.69 59.53 3nnk s THR 116 Cb -0.11 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 3nnk s THR 116 CO 0.02 -0.35 -0.18 0.27 -0.54 0.00 0.00 174.62 173.84 3nnk s ILE 117 N -1.42 1.62 0.14 2.99 -4.36 -1.19 -4.98 121.20 114.00 3nnk s ILE 117 Ca -0.07 -1.70 0.07 0.00 -0.26 0.00 0.00 60.65 58.70 3nnk s ILE 117 Cb -0.10 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 3nnk s ILE 117 CO 0.01 -0.24 -0.17 -1.61 0.24 0.00 0.00 174.94 173.17 3nnk s GLU 118 N -2.38 1.14 0.03 0.37 2.02 -1.26 -1.00 118.70 117.62 3nnk s GLU 118 Ca 0.10 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 53.81 3nnk s GLU 118 Cb -0.07 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.99 3nnk s GLU 118 CO 0.05 0.23 -0.07 0.14 0.02 0.00 0.00 175.26 175.63 3nnk s VAL 119 N -1.95 0.49 0.54 2.63 -7.23 -0.94 -4.98 120.40 108.96 3nnk s VAL 119 Ca 0.11 -0.92 -0.21 0.00 -1.81 0.00 0.00 61.98 59.15 3nnk s VAL 119 Cb -0.06 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.29 3nnk s VAL 119 CO 0.05 -0.31 1.25 -2.16 -0.31 0.00 0.00 175.10 173.62 3nnk s PRO 120 N -1.33 3.25 -0.01 4.82 0.04 -1.26 -4.56 135.00 135.96 3nnk s PRO 120 Ca -0.08 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 3nnk s PRO 120 Cb -0.09 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 3nnk s PRO 120 CO 0.00 -1.02 1.73 -1.58 0.04 0.00 0.00 177.00 176.18 3nnk s TRP 121 N -1.47 1.88 -0.45 0.56 0.52 -1.26 0.10 118.94 118.82 3nnk s TRP 121 Ca 0.71 0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.91 3nnk s TRP 121 Cb -0.34 -4.01 0.13 0.00 -1.15 0.00 0.00 33.47 28.11 3nnk s TRP 121 CO 0.39 -4.29 0.23 0.20 0.02 0.00 0.00 176.95 173.49 3nnk s GLY 122 N 3.44 1.90 0.54 0.98 0.00 -1.26 -4.97 107.32 107.95 3nnk s GLY 122 Ca 0.77 -2.76 0.06 0.00 0.00 0.00 0.00 44.72 42.80 3nnk s GLY 122 CO 0.33 1.35 0.51 1.18 0.00 0.00 0.00 173.10 176.46 3nnk n GLU 123 N 3.51 0.68 -4.28 2.90 1.02 0.28 -2.64 120.64 122.12 3nnk n GLU 123 Ca 0.07 -3.22 -0.15 0.00 -0.02 0.00 0.00 57.16 53.83 3nnk n GLU 123 Cb 0.34 0.18 -0.10 0.00 -0.02 0.00 0.00 31.44 31.85 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 -2.58 1.17 0.27 2.62 0.11 -1.26 -4.89 120.40 115.84 3nnk s VAL 124 Ca 0.38 -2.06 -0.17 0.00 -2.93 0.00 0.00 61.98 57.19 3nnk s VAL 124 Cb -0.03 -2.01 -0.09 0.00 -1.53 0.00 0.00 36.38 32.72 3nnk s VAL 124 CO 0.24 -0.61 0.73 -0.36 -3.33 0.00 0.00 175.10 171.78 3nnk s PHE 125 N -3.33 3.52 0.26 1.54 0.08 -1.26 -5.01 117.98 113.77 3nnk s PHE 125 Ca 0.21 1.31 -0.13 0.00 0.12 0.00 0.00 56.93 58.43 3nnk s PHE 125 Cb 0.03 -2.58 -0.08 0.00 -0.57 0.00 0.00 43.02 39.82 3nnk s PHE 125 CO 0.03 0.22 0.65 0.99 -0.10 0.00 0.00 175.22 177.01 3nnk s THR 126 N -1.74 4.78 0.28 0.64 2.01 -1.26 -4.77 115.64 115.57 3nnk s THR 126 Ca 0.48 0.80 0.01 0.00 0.31 0.00 0.00 61.69 63.30 3nnk s THR 126 Cb -0.14 -3.65 0.26 0.00 0.01 0.00 0.00 72.50 68.99 3nnk s THR 126 CO 0.19 -0.06 1.73 -0.65 -0.69 0.00 0.00 174.62 175.14 3nnk h PRO 127 N 2.61 0.50 -0.52 4.92 0.11 -1.95 -2.55 132.00 135.10 3nnk h PRO 127 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3nnk h PRO 127 Cb 1.18 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3nnk h PRO 127 CO 0.67 0.33 0.34 -0.44 -0.21 0.00 0.00 178.00 178.68 3nnk h ASP 128 N 0.51 0.61 -0.61 -2.05 3.32 -1.98 -0.17 116.42 116.06 3nnk h ASP 128 Ca 0.51 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.58 3nnk h ASP 128 Cb 0.85 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 3nnk h ASP 128 CO -0.44 0.46 0.33 1.56 -1.72 0.00 0.00 179.24 179.42 3nnk h GLN 129 N 0.71 0.60 0.00 3.56 4.20 -1.86 0.13 115.11 122.45 3nnk h GLN 129 Ca 0.19 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 3nnk h GLN 129 Cb -0.06 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3nnk h GLN 129 CO -0.04 0.40 -0.51 -0.39 -0.67 0.00 0.00 178.83 177.62 3nnk h VAL 130 N 0.62 0.81 -0.20 -0.54 -1.51 -1.38 -3.03 116.25 111.01 3nnk h VAL 130 Ca 0.27 -2.15 -0.20 0.00 -1.23 0.00 0.00 66.70 63.40 3nnk h VAL 130 Cb 0.16 2.39 0.01 0.00 -2.13 0.00 0.00 31.29 31.72 3nnk h VAL 130 CO -0.17 0.46 -0.65 -0.08 -1.23 0.00 0.00 177.57 175.90 3nnk h GLU 131 N 0.00 0.79 -0.97 5.19 4.81 -0.51 -1.68 114.58 122.20 3nnk h GLU 131 Ca -0.01 -0.59 0.05 0.00 -0.13 0.00 0.00 59.36 58.68 3nnk h GLU 131 Cb 1.37 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 3nnk h GLU 131 CO 0.06 1.20 0.64 -0.44 -0.73 0.00 0.00 179.01 179.74 3nnk h ASP 132 N 0.53 1.04 0.12 1.04 3.45 -0.80 -2.22 116.42 119.57 3nnk h ASP 132 Ca -0.03 -0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.25 3nnk h ASP 132 Cb 1.27 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.81 3nnk h ASP 132 CO 0.14 0.69 -0.70 0.00 -1.57 0.00 0.00 179.24 177.80 3nnk h ALA 133 N 1.45 0.56 -0.40 3.45 0.00 -1.43 -1.85 119.26 121.04 3nnk h ALA 133 Ca 0.40 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3nnk h ALA 133 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3nnk h ALA 133 CO -0.14 0.73 0.06 0.28 0.00 0.00 0.00 179.25 180.18 3nnk h VAL 134 N 0.37 1.24 -0.35 0.00 2.07 -1.08 -1.51 116.25 116.99 3nnk h VAL 134 Ca -0.03 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3nnk h VAL 134 Cb 1.27 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3nnk h VAL 134 CO 0.13 0.30 0.23 0.11 0.02 0.00 0.00 177.57 178.35 3nnk h LYS 135 N 0.52 0.46 -0.02 1.57 1.57 -1.42 -0.04 116.57 119.20 3nnk h LYS 135 Ca 0.12 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3nnk h LYS 135 Cb 0.38 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3nnk h LYS 135 CO 0.01 0.31 -0.06 0.00 -0.57 0.00 0.00 179.45 179.14 3nnk h ARG 136 N 0.46 -0.09 0.00 3.15 3.08 -1.10 -3.34 114.38 116.54 3nnk h ARG 136 Ca 0.13 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3nnk h ARG 136 Cb -0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3nnk h ARG 136 CO -0.03 -0.06 -0.84 0.44 -1.07 0.00 0.00 179.97 178.41 3nnk n ILE 137 N -5.18 0.00 -3.41 2.04 -0.00 -0.59 -5.05 119.36 107.16 3nnk n ILE 137 Ca -0.06 -0.23 -0.12 0.00 -0.00 0.00 0.00 62.75 62.35 3nnk n ILE 137 Cb 0.11 0.80 0.00 0.00 -0.00 0.00 0.00 39.64 40.55 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 -1.46 -1.42 -2.24 6.28 3.00 -0.03 -4.97 116.66 115.82 3nnk n ARG 138 Ca 0.01 1.12 -0.32 0.00 -0.01 0.00 0.00 57.85 58.66 3nnk n ARG 138 Cb 0.23 -4.14 -0.02 0.00 0.00 0.00 0.00 32.46 28.53 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 -3.99 3.80 -0.06 5.56 0.04 -1.26 -4.90 135.00 134.18 3nnk s PRO 139 Ca 0.02 0.94 -0.18 0.00 0.04 0.00 0.00 61.00 61.82 3nnk s PRO 139 Cb -0.01 -2.11 -0.30 0.00 0.04 0.00 0.00 34.50 32.12 3nnk s PRO 139 CO 0.82 -0.40 0.77 -0.09 0.04 0.00 0.00 177.00 178.14 3nnk h ARG 140 N 0.60 0.32 -6.41 4.56 2.43 -1.08 -3.42 114.38 111.37 3nnk h ARG 140 Ca -0.46 -0.54 -0.70 0.00 -0.81 0.00 0.00 59.98 57.47 3nnk h ARG 140 Cb 1.19 0.20 -0.28 0.00 -0.42 0.00 0.00 29.97 30.66 3nnk h ARG 140 CO 0.61 1.26 -0.86 -0.51 -1.51 0.00 0.00 179.97 178.96 3nnk s LEU 141 N -7.69 2.24 -0.26 3.80 2.01 -1.22 -0.71 118.68 116.86 3nnk s LEU 141 Ca -0.15 -0.40 -0.10 0.00 0.01 0.00 0.00 54.13 53.49 3nnk s LEU 141 Cb 0.03 -1.41 -0.04 0.00 0.01 0.00 0.00 46.19 44.78 3nnk s LEU 141 CO 0.82 0.31 0.14 -0.22 1.01 0.00 0.00 176.35 178.41 3nnk s LEU 142 N -0.54 3.82 -0.31 1.79 2.96 0.70 -2.01 118.68 125.08 3nnk s LEU 142 Ca 0.08 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3nnk s LEU 142 Cb -0.11 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.59 3nnk s LEU 142 CO 0.00 -0.03 0.01 -0.76 -1.32 0.00 0.00 176.35 174.26 3nnk s LEU 143 N 1.59 4.01 0.07 -0.68 1.43 -0.15 -1.09 118.68 123.86 3nnk s LEU 143 Ca 0.07 -1.36 0.09 0.00 -1.03 0.00 0.00 54.13 51.89 3nnk s LEU 143 Cb -0.15 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3nnk s LEU 143 CO 0.07 -0.28 -0.23 0.42 0.23 0.00 0.00 176.35 176.56 3nnk s THR 144 N 1.23 1.92 -0.01 5.49 -4.23 -1.09 -3.48 115.64 115.46 3nnk s THR 144 Ca -0.04 -1.41 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 3nnk s THR 144 Cb -0.20 -1.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.91 3nnk s THR 144 CO -0.02 0.19 0.41 -0.69 -0.54 0.00 0.00 174.62 173.97 3nnk s VAL 145 N -0.91 5.04 -0.05 2.29 1.01 -1.26 -0.57 120.40 125.95 3nnk s VAL 145 Ca 0.10 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 3nnk s VAL 145 Cb -0.10 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 3nnk s VAL 145 CO 0.03 0.55 -0.02 -0.61 0.00 0.00 0.00 175.10 175.05 3nnk h GLN 146 N 4.92 0.00 -4.92 2.72 4.15 -1.69 -3.42 115.11 116.87 3nnk h GLN 146 Ca -0.50 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.25 3nnk h GLN 146 Cb 1.21 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 28.62 3nnk h GLN 146 CO 0.63 0.00 -0.70 0.20 -1.93 0.00 0.00 178.83 177.03 3nnk s GLY 147 N -2.91 1.66 -0.48 2.39 0.00 -1.26 -0.11 107.32 106.60 3nnk s GLY 147 Ca -0.02 -1.33 -0.14 0.00 0.00 0.00 0.00 44.72 43.24 3nnk s GLY 147 CO 0.03 0.52 0.40 -0.35 0.00 0.00 0.00 173.10 173.69 3nnk s ASP 148 N 1.44 6.01 0.38 1.64 -1.08 -0.63 -4.47 116.67 119.97 3nnk s ASP 148 Ca 0.03 -1.58 0.13 0.00 -0.52 0.00 0.00 52.55 50.61 3nnk s ASP 148 Cb -0.16 -2.14 0.94 0.00 -1.46 0.00 0.00 42.92 40.11 3nnk s ASP 148 CO -0.02 -0.70 1.86 0.71 0.52 0.00 0.00 175.17 177.54 3nnk h THR 149 N 5.90 0.75 0.00 1.71 1.35 -1.94 0.13 112.91 120.82 3nnk h THR 149 Ca -0.27 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3nnk h THR 149 Cb 1.10 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3nnk h THR 149 CO 0.91 0.10 0.00 0.77 -0.25 0.00 0.00 175.52 177.05 3nnk h SER 150 N 0.56 0.00 0.00 5.36 4.64 -1.97 -2.82 113.55 119.32 3nnk h SER 150 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3nnk h SER 150 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3nnk h SER 150 CO -0.20 0.00 -0.13 0.35 -0.87 0.00 0.00 176.83 175.97 3nnk n THR 151 N -3.02 0.00 -1.10 2.95 -2.24 -0.48 -4.95 114.28 105.44 3nnk n THR 151 Ca -0.02 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.35 3nnk n THR 151 Cb 0.11 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.94 0.00 -3.55 4.28 -2.24 0.32 -4.79 114.28 107.36 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 0.00 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.73 3.84 -0.28 -0.78 -1.94 -1.18 -0.33 119.30 116.90 3nnk s MET 153 Ca 0.00 0.32 -0.03 0.00 -1.71 0.00 0.00 55.69 54.27 3nnk s MET 153 Cb 0.00 -3.18 0.03 0.00 2.01 0.00 0.00 34.83 33.69 3nnk s MET 153 CO 0.00 0.68 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.51 3nnk s LEU 154 N -1.21 3.62 0.02 -0.03 1.98 0.84 -1.61 118.68 122.29 3nnk s LEU 154 Ca 0.24 -1.03 -0.30 0.00 -2.89 0.00 0.00 54.13 50.15 3nnk s LEU 154 Cb -0.16 -1.72 -0.05 0.00 0.66 0.00 0.00 46.19 44.92 3nnk s LEU 154 CO 0.13 -0.20 1.18 -1.58 -1.89 0.00 0.00 176.35 173.99 3nnk s GLN 155 N 1.32 4.42 -0.00 1.98 2.00 0.84 -4.82 119.66 125.40 3nnk s GLN 155 Ca -0.02 1.71 -0.30 0.00 -2.00 0.00 0.00 55.36 54.74 3nnk s GLN 155 Cb -0.18 -3.42 -0.05 0.00 0.80 0.00 0.00 33.01 30.15 3nnk s GLN 155 CO -0.02 -0.29 1.38 -2.14 -0.50 0.00 0.00 175.29 173.71 3nnk s PRO 156 N 1.41 4.29 -0.02 1.67 0.02 -1.26 -4.87 135.00 136.25 3nnk s PRO 156 Ca 0.57 1.94 0.16 0.00 0.02 0.00 0.00 61.00 63.69 3nnk s PRO 156 Cb -0.27 -3.56 -0.23 0.00 0.02 0.00 0.00 34.50 30.46 3nnk s PRO 156 CO 0.27 -0.55 0.42 1.28 -0.33 0.00 0.00 177.00 178.09 3nnk n LEU 157 N 5.29 0.17 -0.20 -5.54 4.32 -1.26 -4.72 117.00 115.06 3nnk n LEU 157 Ca 0.13 -0.12 0.01 0.00 -0.02 0.00 0.00 56.01 56.01 3nnk n LEU 157 Cb 0.44 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 42.35 3nnk n LEU 157 CO 0.58 0.04 0.88 0.00 -1.22 0.00 0.00 177.39 177.68 3nnk h ALA 158 N 1.64 0.67 0.00 -1.18 0.00 -1.91 -1.15 119.26 117.34 3nnk h ALA 158 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3nnk h ALA 158 Cb 0.65 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3nnk h ALA 158 CO 0.00 -0.35 -0.28 0.39 0.00 0.00 0.00 179.25 179.01 3nnk n GLU 159 N -5.19 0.06 0.20 0.00 1.02 -1.26 -3.86 120.64 111.61 3nnk n GLU 159 Ca 0.09 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 3nnk n GLU 159 Cb 0.34 -1.55 0.32 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.00 0.00 -0.12 -4.62 4.07 -1.49 -3.23 115.31 109.92 3nnk h LEU 160 Ca 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.72 3nnk h LEU 160 Cb 0.55 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.31 3nnk h LEU 160 CO 0.00 0.00 -0.90 1.23 -1.08 0.00 0.00 178.44 177.69 3nnk h GLY 161 N 3.72 0.75 1.89 0.83 0.00 -1.60 -2.64 103.07 106.01 3nnk h GLY 161 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 47.33 46.03 3nnk h GLY 161 CO 0.00 1.05 -0.52 0.83 0.00 0.00 0.00 176.54 177.90 3nnk h GLU 162 N 0.42 0.12 -0.52 4.80 4.39 -1.79 -2.21 114.58 119.79 3nnk h GLU 162 Ca -0.08 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 3nnk h GLU 162 Cb 1.53 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 3nnk h GLU 162 CO 0.18 0.61 -0.12 0.82 -1.16 0.00 0.00 179.01 179.34 3nnk h ILE 163 N 0.10 1.27 -0.26 3.13 2.04 -1.57 -1.76 117.51 120.47 3nnk h ILE 163 Ca 0.00 -1.27 -0.18 0.00 1.00 0.00 0.00 64.86 64.41 3nnk h ILE 163 Cb 0.95 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3nnk h ILE 163 CO 0.07 0.45 -0.55 0.00 0.00 0.00 0.00 178.15 178.12 3nnk h ARG 165 N 0.59 1.01 -0.12 0.00 1.12 -1.40 0.12 114.38 115.71 3nnk h ARG 165 Ca 0.00 -0.32 -0.00 0.00 -1.11 0.00 0.00 59.98 58.56 3nnk h ARG 165 Cb 1.17 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.03 3nnk h ARG 165 CO 0.12 1.00 0.07 0.00 -3.11 0.00 0.00 179.97 178.05 3nnk h ARG 166 N 0.92 0.16 -0.66 0.20 3.08 -1.33 -3.20 114.38 113.56 3nnk h ARG 166 Ca 0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3nnk h ARG 166 Cb 0.55 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3nnk h ARG 166 CO 0.03 0.15 0.00 0.66 -1.07 0.00 0.00 179.97 179.74 3nnk n TYR 167 N -4.98 1.24 -3.34 3.04 4.01 -1.05 -4.97 117.16 111.11 3nnk n TYR 167 Ca -0.05 -0.57 -0.18 0.00 -0.16 0.00 0.00 57.90 56.94 3nnk n TYR 167 Cb 0.05 -0.15 0.07 0.00 -0.31 0.00 0.00 39.34 39.00 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 1.26 -4.29 -4.61 7.72 4.64 0.02 -4.96 116.55 116.32 3nnk n ASP 168 Ca 0.25 -0.48 -0.32 0.00 -1.38 0.00 0.00 54.79 52.85 3nnk n ASP 168 Cb 0.77 -4.34 -0.10 0.00 -1.04 0.00 0.00 41.12 36.41 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 -3.28 3.07 0.02 -1.67 0.00 0.22 -4.93 121.76 115.19 3nnk s ALA 169 Ca 0.30 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 3nnk s ALA 169 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3nnk s ALA 169 CO 0.61 0.62 1.02 -0.51 0.00 0.00 0.00 175.76 177.50 3nnk s LEU 170 N -1.39 4.38 -0.38 0.00 1.43 0.11 -4.44 118.68 118.39 3nnk s LEU 170 Ca 0.17 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 3nnk s LEU 170 Cb -0.11 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.57 3nnk s LEU 170 CO 0.08 -0.28 0.21 0.12 0.23 0.00 0.00 176.35 176.70 3nnk s PHE 171 N 0.93 3.26 0.16 0.29 5.36 -1.26 -0.21 117.98 126.50 3nnk s PHE 171 Ca 0.53 -1.06 0.06 0.00 -0.96 0.00 0.00 56.93 55.50 3nnk s PHE 171 Cb -0.23 -2.50 -0.04 0.00 -0.34 0.00 0.00 43.02 39.92 3nnk s PHE 171 CO 0.28 -0.68 0.07 -0.47 -1.46 0.00 0.00 175.22 172.97 3nnk s TYR 172 N 1.53 3.02 -0.05 10.12 6.14 -0.25 -0.48 117.35 137.39 3nnk s TYR 172 Ca 0.02 -0.06 -0.10 0.00 0.64 0.00 0.00 57.07 57.57 3nnk s TYR 172 Cb -0.20 -1.46 0.02 0.00 0.42 0.00 0.00 41.96 40.74 3nnk s TYR 172 CO 0.06 0.52 0.24 -0.08 0.64 0.00 0.00 175.55 176.92 3nnk s THR 173 N -1.72 0.04 -0.37 4.34 -1.32 -0.89 -2.67 115.64 113.05 3nnk s THR 173 Ca 0.29 -0.32 -0.16 0.00 -1.21 0.00 0.00 61.69 60.29 3nnk s THR 173 Cb -0.10 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 3nnk s THR 173 CO 0.21 -0.18 0.38 -0.62 -2.21 0.00 0.00 174.62 172.20 3nnk s ASP 174 N -0.69 6.17 -0.29 8.08 2.15 0.27 -2.89 116.67 129.47 3nnk s ASP 174 Ca -0.08 -0.44 0.08 0.00 0.43 0.00 0.00 52.55 52.55 3nnk s ASP 174 Cb -0.04 -2.20 0.46 0.00 -0.30 0.00 0.00 42.92 40.83 3nnk s ASP 174 CO 0.02 -0.42 1.32 0.00 -0.17 0.00 0.00 175.17 175.92 3nnk n ALA 175 N 5.42 4.47 0.07 3.66 0.00 -0.24 -1.79 120.51 132.09 3nnk n ALA 175 Ca -0.09 -3.45 -0.01 0.00 0.00 0.00 0.00 53.44 49.89 3nnk n ALA 175 Cb 0.49 -0.53 0.26 0.00 0.00 0.00 0.00 19.45 19.67 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 1.40 1.26 0.11 0.00 1.35 -1.88 -2.11 112.91 113.04 3nnk h THR 176 Ca 0.22 -1.21 -0.31 0.00 -0.55 0.00 0.00 66.41 64.57 3nnk h THR 176 Cb 1.34 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 3nnk h THR 176 CO 0.46 0.37 -1.56 0.00 -0.25 0.00 0.00 175.52 174.54 3nnk h ALA 177 N 1.42 0.31 0.01 6.62 0.00 -1.86 -3.39 119.26 122.38 3nnk h ALA 177 Ca 0.05 -1.15 -0.31 0.00 0.00 0.00 0.00 54.91 53.50 3nnk h ALA 177 Cb 0.63 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3nnk h ALA 177 CO 0.05 1.18 -1.86 -1.13 0.00 0.00 0.00 179.25 177.48 3nnk n SER 178 N -3.43 0.90 -4.70 0.00 3.41 -1.21 -4.57 113.62 104.03 3nnk n SER 178 Ca -0.17 0.32 -0.44 0.00 -0.26 0.00 0.00 58.87 58.32 3nnk n SER 178 Cb 1.04 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 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 -3.05 3.58 0.00 1.04 7.94 -0.80 -0.21 117.00 125.50 3nnk n LEU 179 Ca -0.22 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 3nnk n LEU 179 Cb 1.07 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.52 3nnk n LEU 179 CO 0.44 -0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 3nnk n GLY 180 N 3.00 2.46 0.49 -3.96 0.00 -1.26 -4.36 105.19 101.56 3nnk n GLY 180 Ca 0.14 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.06 3.20 -0.02 0.00 -0.53 -3.65 105.19 104.24 3nnk n GLY 181 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.61 -0.04 0.27 1.61 0.01 0.70 -4.58 114.94 111.30 3nnk s ASN 182 Ca 0.16 -0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 3nnk s ASN 182 Cb 0.13 0.31 -0.11 0.00 0.41 0.00 0.00 41.25 41.99 3nnk s ASN 182 CO 0.30 -0.56 1.51 -2.84 -1.51 0.00 0.00 177.10 174.00 3nnk s PRO 183 N -2.38 4.20 -0.23 -0.60 0.02 -1.26 -4.65 135.00 130.10 3nnk s PRO 183 Ca -0.06 2.42 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 3nnk s PRO 183 Cb -0.02 -3.07 0.11 0.00 0.02 0.00 0.00 34.50 31.54 3nnk s PRO 183 CO -0.03 -0.51 0.29 -1.17 -0.33 0.00 0.00 177.00 175.25 3nnk s LEU 184 N -0.42 -0.34 -0.93 -5.54 2.96 -1.26 -5.02 118.68 108.13 3nnk s LEU 184 Ca 0.61 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 54.41 3nnk s LEU 184 Cb -0.44 0.70 0.23 0.00 0.50 0.00 0.00 46.19 47.18 3nnk s LEU 184 CO 0.45 -0.32 0.84 -0.62 -1.32 0.00 0.00 176.35 175.38 3nnk n GLU 185 N 5.34 2.77 -0.19 1.98 -0.58 -1.26 -4.33 120.64 124.37 3nnk n GLU 185 Ca -0.04 -4.48 -0.02 0.00 -0.42 0.00 0.00 57.16 52.19 3nnk n GLU 185 Cb 0.50 -2.43 0.04 0.00 -0.57 0.00 0.00 31.44 28.98 3nnk n GLU 185 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3nnk h THR 186 N 3.97 0.35 -0.06 2.62 2.02 -1.49 0.12 112.91 120.44 3nnk h THR 186 Ca 0.17 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 67.12 3nnk h THR 186 Cb 0.81 0.35 0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3nnk h THR 186 CO 0.88 0.00 -0.85 0.44 0.37 0.00 0.00 175.52 176.36 3nnk h ASP 187 N -0.05 0.86 0.52 4.18 3.32 -1.82 -1.54 116.42 121.89 3nnk h ASP 187 Ca 0.27 -0.70 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 3nnk h ASP 187 Cb 0.47 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3nnk h ASP 187 CO -0.62 1.43 -0.42 0.58 -1.72 0.00 0.00 179.24 178.49 3nnk h VAL 188 N 0.36 1.19 -0.58 -1.35 2.07 -1.69 -2.89 116.25 113.36 3nnk h VAL 188 Ca -0.09 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3nnk h VAL 188 Cb 1.51 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3nnk h VAL 188 CO 0.17 0.41 0.00 0.79 0.02 0.00 0.00 177.57 178.96 3nnk n TRP 189 N -3.88 1.32 -3.08 1.57 8.01 0.35 -4.94 117.44 116.80 3nnk n TRP 189 Ca -0.01 -0.53 -0.22 0.00 -1.31 0.00 0.00 57.50 55.43 3nnk n TRP 189 Cb 0.47 -0.22 0.03 0.00 -2.01 0.00 0.00 31.31 29.57 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 1.05 -0.52 3.74 6.99 0.00 -1.09 -3.53 105.19 111.83 3nnk n GLY 190 Ca 0.23 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.64 4.53 -0.13 0.99 1.43 -0.58 -4.73 118.68 113.56 3nnk s LEU 191 Ca 0.32 2.06 0.14 0.00 -1.03 0.00 0.00 54.13 55.61 3nnk s LEU 191 Cb -0.15 -3.61 -0.24 0.00 0.03 0.00 0.00 46.19 42.23 3nnk s LEU 191 CO 0.39 -0.11 0.33 0.47 0.23 0.00 0.00 176.35 177.66 3nnk n ASP 192 N 2.02 0.54 -3.66 2.29 8.00 0.37 -4.62 116.55 121.48 3nnk n ASP 192 Ca 0.01 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 3nnk n ASP 192 Cb 0.46 0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 41.89 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 -2.54 -1.55 0.00 2.24 0.00 -1.02 -0.38 121.76 118.51 3nnk s ALA 193 Ca -0.09 1.84 0.03 0.00 0.00 0.00 0.00 51.96 53.74 3nnk s ALA 193 Cb 0.07 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 3nnk s ALA 193 CO 0.82 -0.31 -0.09 0.08 0.00 0.00 0.00 175.76 176.26 3nnk s VAL 194 N 0.64 0.74 0.03 0.00 1.01 -0.71 -2.09 120.40 120.03 3nnk s VAL 194 Ca -0.02 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3nnk s VAL 194 Cb -0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3nnk s VAL 194 CO -0.04 0.13 -0.11 -0.94 0.00 0.00 0.00 175.10 174.14 3nnk s SER 195 N -0.44 1.25 0.00 3.32 1.04 -1.14 -1.29 113.70 116.44 3nnk s SER 195 Ca 0.02 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3nnk s SER 195 Cb -0.04 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3nnk s SER 195 CO -0.00 -0.03 0.00 0.00 0.98 0.00 0.00 173.24 174.19 3nnk n ALA 196 N 1.93 0.00 -3.62 5.32 0.00 -0.06 -1.08 120.51 122.99 3nnk n ALA 196 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3nnk n ALA 196 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 3nnk n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nnk n GLY 197 N 0.82 3.58 0.07 0.00 0.00 -1.26 -3.75 105.19 104.64 3nnk n GLY 197 Ca 0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 3nnk n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3nnk n MET 198 N -0.30 1.48 -1.14 1.61 2.81 -1.25 -4.75 117.12 115.58 3nnk n MET 198 Ca 0.02 0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.74 3nnk n MET 198 Cb 0.26 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3nnk n GLN 199 N -2.61 2.04 0.23 0.03 0.00 -1.25 -0.30 117.38 115.52 3nnk n GLN 199 Ca -0.22 -1.75 0.12 0.00 0.00 0.00 0.00 57.00 55.15 3nnk n GLN 199 Cb 0.86 -1.86 0.63 0.00 0.00 0.00 0.00 30.24 29.87 3nnk n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3nnk h LEU 202 N 0.00 -0.22 -2.22 0.00 4.07 -1.77 -3.30 115.31 111.87 3nnk h LEU 202 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.66 3nnk h LEU 202 Cb 0.43 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3nnk h LEU 202 CO 0.00 0.32 0.00 0.61 -1.08 0.00 0.00 178.44 178.29 3nnk n GLY 203 N 0.61 0.25 0.00 0.83 0.00 0.59 -4.84 105.19 102.63 3nnk n GLY 203 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.84 1.00 3.88 -0.02 0.00 -1.26 -1.63 105.19 106.31 3nnk n GLY 204 Ca 0.00 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.15 3.76 0.60 1.61 0.04 -1.26 -3.76 135.00 135.84 3nnk s PRO 205 Ca 0.00 0.17 -0.18 0.00 0.04 0.00 0.00 61.00 61.03 3nnk s PRO 205 Cb 0.00 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 3nnk s PRO 205 CO 0.00 0.41 1.19 -1.54 0.04 0.00 0.00 177.00 177.10 3nnk s SER 206 N -2.25 5.16 0.00 6.66 1.04 -1.26 -4.48 113.70 118.57 3nnk s SER 206 Ca 0.43 2.33 0.00 0.00 0.48 0.00 0.00 55.95 59.19 3nnk s SER 206 Cb -0.12 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3nnk s SER 206 CO 0.22 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.44 3nnk n GLY 207 N 0.38 0.10 3.00 7.32 0.00 -1.26 -4.96 105.19 109.76 3nnk n GLY 207 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.49 -0.31 2.61 2.01 -0.97 -1.32 115.64 118.15 3nnk s THR 208 Ca 0.00 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.54 3nnk s THR 208 Cb 0.00 -0.45 0.09 0.00 0.01 0.00 0.00 72.50 72.15 3nnk s THR 208 CO 0.00 -0.01 0.05 -0.55 -0.69 0.00 0.00 174.62 173.42 3nnk s SER 209 N -0.53 4.40 0.01 3.53 0.15 0.21 -3.93 113.70 117.54 3nnk s SER 209 Ca -0.01 -1.84 -0.30 0.00 0.70 0.00 0.00 55.95 54.50 3nnk s SER 209 Cb -0.04 -1.31 -0.06 0.00 -1.71 0.00 0.00 66.02 62.89 3nnk s SER 209 CO -0.00 -0.37 1.53 -2.84 1.20 0.00 0.00 173.24 172.76 3nnk s PRO 210 N 1.21 4.23 0.20 5.44 0.02 -1.25 -0.61 135.00 144.24 3nnk s PRO 210 Ca 0.08 2.13 0.08 0.00 0.02 0.00 0.00 61.00 63.31 3nnk s PRO 210 Cb -0.18 -3.66 -0.05 0.00 0.02 0.00 0.00 34.50 30.64 3nnk s PRO 210 CO -0.14 -0.68 -0.16 0.96 -0.33 0.00 0.00 177.00 176.65 3nnk s ILE 211 N 2.79 1.81 -0.05 2.83 -4.36 0.12 -0.89 121.20 123.45 3nnk s ILE 211 Ca 0.69 -2.12 -0.03 0.00 -0.26 0.00 0.00 60.65 58.92 3nnk s ILE 211 Cb -0.34 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.40 3nnk s ILE 211 CO 0.29 -0.49 0.12 0.28 0.24 0.00 0.00 174.94 175.38 3nnk s THR 212 N -2.62 -0.02 -0.12 8.37 -1.32 -0.41 -0.57 115.64 118.94 3nnk s THR 212 Ca 0.21 0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.78 3nnk s THR 212 Cb -0.03 -0.19 0.01 0.00 -1.51 0.00 0.00 72.50 70.78 3nnk s THR 212 CO 0.07 0.03 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.57 3nnk s LEU 213 N 0.49 1.86 0.88 9.08 1.43 0.11 -1.73 118.68 130.80 3nnk s LEU 213 Ca -0.04 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 3nnk s LEU 213 Cb -0.05 -1.21 0.12 0.00 0.03 0.00 0.00 46.19 45.08 3nnk s LEU 213 CO -0.02 0.04 1.10 -0.94 0.23 0.00 0.00 176.35 176.76 3nnk s SER 214 N 0.89 3.56 0.36 2.29 1.04 0.49 -4.32 113.70 117.99 3nnk s SER 214 Ca -0.08 1.73 0.10 0.00 0.48 0.00 0.00 55.95 58.18 3nnk s SER 214 Cb -0.15 -2.37 0.85 0.00 0.10 0.00 0.00 66.02 64.45 3nnk s SER 214 CO -0.01 -2.62 1.84 0.00 0.98 0.00 0.00 173.24 173.43 3nnk h ALA 215 N -1.54 1.88 -0.35 5.32 0.00 -1.94 -1.32 119.26 121.31 3nnk h ALA 215 Ca -0.47 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3nnk h ALA 215 Cb 1.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3nnk h ALA 215 CO 0.51 -0.16 0.15 0.00 0.00 0.00 0.00 179.25 179.74 3nnk h ARG 216 N 0.65 0.52 -0.86 0.00 3.08 -1.92 -3.13 114.38 112.74 3nnk h ARG 216 Ca 0.49 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.42 3nnk h ARG 216 Cb 0.87 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 3nnk h ARG 216 CO -0.24 0.51 0.46 0.52 -1.07 0.00 0.00 179.97 180.14 3nnk h MET 217 N 0.43 1.20 -0.22 0.04 2.86 -1.50 -2.98 114.93 114.76 3nnk h MET 217 Ca 0.12 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3nnk h MET 217 Cb 0.17 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3nnk h MET 217 CO -0.01 0.89 -0.25 1.05 1.06 0.00 0.00 176.91 179.65 3nnk h GLU 218 N 1.20 0.42 -0.38 1.72 4.11 -1.43 -1.83 114.58 118.39 3nnk h GLU 218 Ca 0.30 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.57 3nnk h GLU 218 Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3nnk h GLU 218 CO -0.05 0.64 0.22 1.49 0.07 0.00 0.00 179.01 181.38 3nnk h GLU 219 N 0.38 0.53 -0.39 1.06 4.81 -1.47 0.12 114.58 119.62 3nnk h GLU 219 Ca 0.06 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3nnk h GLU 219 Cb 0.64 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3nnk h GLU 219 CO 0.05 0.42 0.06 0.00 -0.73 0.00 0.00 179.01 178.81 3nnk h ALA 220 N 1.08 1.39 0.08 2.92 0.00 -1.35 -2.02 119.26 121.36 3nnk h ALA 220 Ca 0.14 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 3nnk h ALA 220 Cb 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3nnk h ALA 220 CO -0.02 0.44 -1.12 0.82 0.00 0.00 0.00 179.25 179.36 3nnk h ILE 221 N 0.57 1.42 -0.07 0.00 2.04 -1.08 -3.28 117.51 117.10 3nnk h ILE 221 Ca 0.13 -2.69 -0.07 0.00 1.00 0.00 0.00 64.86 63.23 3nnk h ILE 221 Cb 0.27 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3nnk h ILE 221 CO 0.00 0.80 -0.27 0.03 0.00 0.00 0.00 178.15 178.71 3nnk h ARG 222 N 0.17 0.13 0.00 2.37 -0.00 -0.54 -2.40 114.38 114.11 3nnk h ARG 222 Ca -0.12 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.31 3nnk h ARG 222 Cb 1.80 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 31.75 3nnk h ARG 222 CO 0.19 0.39 -0.04 0.00 0.00 0.00 0.00 179.97 180.52 3nnk h ARG 223 N 0.12 0.00 -0.54 0.04 3.08 -1.43 -2.17 114.38 113.48 3nnk h ARG 223 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3nnk h ARG 223 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3nnk h ARG 223 CO 0.04 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.52 3nnk n ARG 224 N -3.75 2.24 -1.62 0.04 5.12 -0.90 -0.60 116.66 117.18 3nnk n ARG 224 Ca -0.03 -1.93 -0.49 0.00 -1.93 0.00 0.00 57.85 53.47 3nnk n ARG 224 Cb 0.13 -1.42 -0.05 0.00 -1.16 0.00 0.00 32.46 29.97 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 1.07 1.56 -3.15 5.56 4.81 -0.82 -4.10 118.16 123.10 3nnk n LYS 225 Ca 0.18 0.56 0.04 0.00 -0.87 0.00 0.00 58.31 58.22 3nnk n LYS 225 Cb 0.45 -2.25 -0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 2.68 4.84 0.16 0.00 1.01 -1.26 -4.97 120.40 122.86 3nnk s VAL 227 Ca 0.13 1.72 -0.34 0.00 0.00 0.00 0.00 61.98 63.50 3nnk s VAL 227 Cb -0.08 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 31.98 3nnk s VAL 227 CO -0.23 0.27 1.31 1.21 0.00 0.00 0.00 175.10 177.67 3nnk n GLU 228 N 3.37 1.45 -0.14 2.72 0.00 -1.26 -4.75 120.64 122.03 3nnk n GLU 228 Ca 0.00 0.52 0.15 0.00 0.00 0.00 0.00 57.16 57.84 3nnk n GLU 228 Cb 0.51 -2.12 0.52 0.00 0.00 0.00 0.00 31.44 30.34 3nnk n GLU 228 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3nnk h GLU 229 N 4.20 0.38 -0.14 5.31 -0.00 -1.95 -1.03 114.58 121.35 3nnk h GLU 229 Ca -0.45 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.36 58.80 3nnk h GLU 229 Cb 1.32 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.97 3nnk h GLU 229 CO 0.76 0.25 -0.30 0.78 -0.00 0.00 0.00 179.01 180.50 3nnk h GLY 230 N 0.39 0.29 -2.33 1.06 0.00 -2.01 -3.00 103.07 97.47 3nnk h GLY 230 Ca 0.35 -0.24 -0.22 0.00 0.00 0.00 0.00 47.33 47.22 3nnk h GLY 230 CO -0.10 0.22 0.04 0.29 0.00 0.00 0.00 176.54 176.98 3nnk n ILE 231 N -4.12 2.64 -3.90 2.60 -5.35 -0.45 -5.00 119.36 105.78 3nnk n ILE 231 Ca -0.01 -2.55 -0.36 0.00 -0.27 0.00 0.00 62.75 59.56 3nnk n ILE 231 Cb 0.40 -0.34 -0.07 0.00 -1.74 0.00 0.00 39.64 37.89 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 -3.22 3.60 0.35 6.28 3.52 -0.83 -4.83 118.95 123.82 3nnk s ARG 232 Ca 0.46 -0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.93 3nnk s ARG 232 Cb 0.41 -3.20 -0.07 0.00 -1.56 0.00 0.00 34.95 30.53 3nnk s ARG 232 CO 0.02 0.63 0.01 0.95 -0.81 0.00 0.00 175.30 176.10 3nnk s THR 233 N -0.60 1.62 0.59 4.11 -4.23 -1.26 -5.01 115.64 110.85 3nnk s THR 233 Ca 0.12 -2.04 0.29 0.00 -1.18 0.00 0.00 61.69 58.89 3nnk s THR 233 Cb -0.12 -2.79 0.35 0.00 1.34 0.00 0.00 72.50 71.28 3nnk s THR 233 CO 0.02 -0.07 2.25 0.44 -0.54 0.00 0.00 174.62 176.72 3nnk h ASP 234 N 2.02 0.00 0.00 3.99 3.32 -2.02 -1.93 116.42 121.80 3nnk h ASP 234 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3nnk h ASP 234 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3nnk h ASP 234 CO 0.73 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.25 3nnk n ALA 235 N -2.33 2.38 -2.59 3.45 0.00 -1.26 -4.80 120.51 115.35 3nnk n ALA 235 Ca -0.03 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 3nnk n ALA 235 Cb 0.09 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.00 2.87 -0.05 0.00 3.76 -0.73 -5.13 115.29 114.02 3nnk s HIS 236 Ca 0.09 -0.06 -0.05 0.00 -0.15 0.00 0.00 55.06 54.89 3nnk s HIS 236 Cb 0.04 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 32.16 3nnk s HIS 236 CO 0.07 0.38 0.14 -0.98 -0.85 0.00 0.00 174.74 173.49 3nnk s ARG 237 N -1.53 0.18 0.60 1.40 1.70 -1.26 -4.96 118.95 115.07 3nnk s ARG 237 Ca 0.18 0.16 -0.19 0.00 -0.47 0.00 0.00 55.73 55.41 3nnk s ARG 237 Cb -0.11 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.32 3nnk s ARG 237 CO 0.09 -0.02 1.19 -0.51 -1.08 0.00 0.00 175.30 174.97 3nnk s ASP 238 N -0.01 5.21 1.03 -2.89 1.01 -1.26 -4.86 116.67 114.90 3nnk s ASP 238 Ca -0.01 2.35 -0.17 0.00 0.71 0.00 0.00 52.55 55.43 3nnk s ASP 238 Cb -0.01 -2.59 0.22 0.00 1.01 0.00 0.00 42.92 41.54 3nnk s ASP 238 CO 0.00 -1.58 1.23 -0.83 0.21 0.00 0.00 175.17 174.21 3nnk s GLY 239 N -1.67 1.69 0.42 0.21 0.00 -0.67 -4.95 107.32 102.35 3nnk s GLY 239 Ca 0.76 -1.04 0.22 0.00 0.00 0.00 0.00 44.72 44.66 3nnk s GLY 239 CO 0.33 -0.26 1.81 -0.55 0.00 0.00 0.00 173.10 174.43 3nnk h ASP 240 N -1.92 0.00 -2.58 1.64 3.32 -1.76 -3.46 116.42 111.66 3nnk h ASP 240 Ca -0.45 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.15 3nnk h ASP 240 Cb 1.27 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.86 3nnk h ASP 240 CO 0.40 0.28 -0.06 -1.61 -1.72 0.00 0.00 179.24 176.53 3nnk s GLU 241 N -3.71 2.73 0.56 3.56 2.02 0.23 -5.04 118.70 119.05 3nnk s GLU 241 Ca -0.00 -0.69 -0.18 0.00 0.02 0.00 0.00 54.97 54.12 3nnk s GLU 241 Cb 0.11 -2.52 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 3nnk s GLU 241 CO 0.65 -0.55 1.10 -1.83 0.02 0.00 0.00 175.26 174.66 3nnk s GLU 242 N -4.68 3.32 0.76 1.61 -1.05 -1.26 -4.60 118.70 112.79 3nnk s GLU 242 Ca 0.54 1.50 -0.14 0.00 -0.15 0.00 0.00 54.97 56.72 3nnk s GLU 242 Cb -0.10 -2.01 0.05 0.00 -0.44 0.00 0.00 34.13 31.63 3nnk s GLU 242 CO 0.38 -0.85 1.19 0.00 0.95 0.00 0.00 175.26 176.92 3nnk s MET 243 N -3.49 2.01 -0.10 -4.83 0.23 -1.26 -4.64 119.30 107.21 3nnk s MET 243 Ca 0.70 1.67 -0.30 0.00 -1.03 0.00 0.00 55.69 56.74 3nnk s MET 243 Cb -0.21 -1.83 -0.02 0.00 -1.53 0.00 0.00 34.83 31.24 3nnk s MET 243 CO 0.29 -1.92 1.12 0.42 -2.03 0.00 0.00 175.02 172.90 3nnk s ILE 244 N -2.16 4.50 -0.34 3.16 1.01 -1.26 -4.93 121.20 121.19 3nnk s ILE 244 Ca 0.72 1.80 -0.07 0.00 0.00 0.00 0.00 60.65 63.10 3nnk s ILE 244 Cb -0.27 -4.16 -0.22 0.00 0.01 0.00 0.00 42.46 37.82 3nnk s ILE 244 CO 0.48 -0.03 3.36 -1.22 0.00 0.00 0.00 174.94 177.53 3nnk n TYR 245 N 5.35 0.51 -3.64 3.97 4.01 -1.26 -4.65 117.16 121.44 3nnk n TYR 245 Ca 0.10 -1.77 -0.08 0.00 -0.16 0.00 0.00 57.90 55.99 3nnk n TYR 245 Cb 0.47 -1.74 -0.07 0.00 -0.31 0.00 0.00 39.34 37.69 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk s SER 246 N 2.10 -0.47 -0.13 7.72 0.15 -1.26 -5.07 113.70 116.73 3nnk s SER 246 Ca 0.65 0.88 -0.16 0.00 0.70 0.00 0.00 55.95 58.02 3nnk s SER 246 Cb 0.28 0.95 -0.14 0.00 -1.71 0.00 0.00 66.02 65.39 3nnk s SER 246 CO -0.01 -0.15 0.35 -1.13 1.20 0.00 0.00 173.24 173.50 3nnk h ASN 247 N 4.54 0.00 0.01 5.45 -1.24 -1.98 -3.23 115.58 119.12 3nnk h ASN 247 Ca -0.28 -0.50 -0.03 0.00 0.71 0.00 0.00 56.30 56.19 3nnk h ASN 247 Cb 1.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.22 3nnk h ASN 247 CO 0.12 0.85 -0.08 0.22 -1.29 0.00 0.00 177.43 177.25 3nnk h TYR 248 N -1.00 0.18 -0.42 0.67 3.20 -1.98 -3.02 116.97 114.60 3nnk h TYR 248 Ca -0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3nnk h TYR 248 Cb 0.62 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3nnk h TYR 248 CO 0.12 0.27 0.00 1.19 -1.64 0.00 0.00 178.16 178.09 3nnk n PHE 249 N -4.35 0.55 -1.99 -3.82 3.72 -1.26 -4.91 117.46 105.41 3nnk n PHE 249 Ca -0.01 -0.37 -0.39 0.00 -0.05 0.00 0.00 57.45 56.63 3nnk n PHE 249 Cb 0.21 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.13 5.27 0.25 4.37 -1.08 -1.15 -4.61 116.67 118.59 3nnk s ASP 250 Ca 0.33 0.54 0.23 0.00 -0.52 0.00 0.00 52.55 53.14 3nnk s ASP 250 Cb 0.18 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 40.09 3nnk s ASP 250 CO 0.25 -2.34 1.70 0.18 0.52 0.00 0.00 175.17 175.48 3nnk n LEU 251 N 12.76 0.65 -0.18 -1.34 4.77 -1.26 -2.00 117.00 130.40 3nnk n LEU 251 Ca 0.22 0.66 -0.09 0.00 -0.03 0.00 0.00 56.01 56.77 3nnk n LEU 251 Cb 0.52 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3nnk n LEU 251 CO 0.71 -0.55 0.77 1.23 -1.33 0.00 0.00 177.39 178.21 3nnk h GLY 252 N 2.26 1.09 1.33 -0.72 0.00 -1.88 -2.39 103.07 102.76 3nnk h GLY 252 Ca 0.00 -0.85 -0.31 0.00 0.00 0.00 0.00 47.33 46.17 3nnk h GLY 252 CO 0.00 0.78 -1.35 -0.33 0.00 0.00 0.00 176.54 175.64 3nnk h MET 253 N 0.90 0.52 -0.89 4.80 2.86 -1.78 -3.12 114.93 118.23 3nnk h MET 253 Ca 0.15 -0.80 0.00 0.00 -2.06 0.00 0.00 59.70 56.99 3nnk h MET 253 Cb 0.64 0.29 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 3nnk h MET 253 CO 0.04 1.37 0.57 0.28 1.06 0.00 0.00 176.91 180.24 3nnk h VAL 254 N 0.18 1.23 -0.62 -2.22 2.07 -1.51 -1.25 116.25 114.13 3nnk h VAL 254 Ca -0.21 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 66.93 3nnk h VAL 254 Cb 2.04 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 3nnk h VAL 254 CO 0.25 0.23 0.31 0.24 0.02 0.00 0.00 177.57 178.62 3nnk h MET 255 N 1.21 0.54 0.00 1.57 2.86 -1.50 -1.26 114.93 118.35 3nnk h MET 255 Ca 0.32 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.87 3nnk h MET 255 Cb -0.11 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3nnk h MET 255 CO -0.07 0.36 -0.27 -0.44 1.06 0.00 0.00 176.91 177.56 3nnk h ASP 256 N 0.56 0.00 0.44 1.22 3.32 -1.28 0.69 116.42 121.37 3nnk h ASP 256 Ca 0.29 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.17 3nnk h ASP 256 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3nnk h ASP 256 CO -0.22 0.27 -0.76 0.22 -1.72 0.00 0.00 179.24 177.03 3nnk h TYR 257 N 0.00 0.36 -0.01 4.55 3.20 -0.59 -1.73 116.97 122.75 3nnk h TYR 257 Ca -0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3nnk h TYR 257 Cb 0.48 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3nnk h TYR 257 CO 0.00 0.92 -0.27 0.91 -1.64 0.00 0.00 178.16 178.08 3nnk n TRP 258 N -3.77 0.00 -2.27 -3.82 7.02 -0.54 -4.48 117.44 109.59 3nnk n TRP 258 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 3nnk n TRP 258 Cb 0.72 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.52 3nnk n TRP 258 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3nnk n GLY 259 N 1.34 1.22 0.30 6.99 0.00 0.20 -4.96 105.19 110.27 3nnk n GLY 259 Ca 0.12 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 3nnk n GLY 259 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 260 N 0.00 0.90 -0.23 1.61 0.13 -1.88 -3.10 132.00 129.44 3nnk h PRO 260 Ca 0.00 -0.25 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 3nnk h PRO 260 Cb 0.00 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.02 3nnk h PRO 260 CO 0.00 0.88 -0.01 0.93 -0.23 0.00 0.00 178.00 179.58 3nnk h GLU 261 N 0.84 0.33 -5.89 0.86 3.07 -1.95 -3.47 114.58 108.37 3nnk h GLU 261 Ca 0.16 -0.06 -0.36 0.00 -0.50 0.00 0.00 59.36 58.60 3nnk h GLU 261 Cb 0.47 -0.06 0.12 0.00 -0.84 0.00 0.00 28.75 28.44 3nnk h GLU 261 CO 0.02 0.36 -0.86 0.54 -1.40 0.00 0.00 179.01 177.67 3nnk n ARG 262 N -4.35 -3.33 -2.13 2.33 5.12 -0.77 -4.92 116.66 108.61 3nnk n ARG 262 Ca 0.00 0.67 -0.42 0.00 -1.93 0.00 0.00 57.85 56.17 3nnk n ARG 262 Cb 0.20 -5.17 -0.03 0.00 -1.16 0.00 0.00 32.46 26.31 3nnk n ARG 262 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3nnk s LEU 263 N -6.21 4.32 -0.92 0.55 1.98 -0.72 -4.87 118.68 112.82 3nnk s LEU 263 Ca 0.26 2.20 -0.21 0.00 -2.89 0.00 0.00 54.13 53.49 3nnk s LEU 263 Cb -0.06 -3.56 -0.12 0.00 0.66 0.00 0.00 46.19 43.11 3nnk s LEU 263 CO 0.80 -0.79 1.97 -3.20 -1.89 0.00 0.00 176.35 173.24 3nnk n ASN 264 N 5.68 2.82 -0.02 3.68 2.85 -1.26 -3.88 115.26 125.13 3nnk n ASN 264 Ca 0.14 -2.71 -0.17 0.00 -0.11 0.00 0.00 54.58 51.73 3nnk n ASN 264 Cb 0.43 -1.26 -0.08 0.00 1.24 0.00 0.00 39.78 40.11 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 7.73 0.89 -2.45 1.20 -0.00 -1.90 -3.48 115.15 117.15 3nnk h HIS 265 Ca 0.43 -0.40 0.13 0.00 -0.00 0.00 0.00 60.37 60.53 3nnk h HIS 265 Cb 0.69 -0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 27.86 3nnk h HIS 265 CO 1.28 1.21 0.44 -3.38 -0.00 0.00 0.00 177.93 177.47 3nnk s HIS 266 N -3.67 -0.24 -0.58 5.26 -3.43 -1.26 -5.03 115.29 106.34 3nnk s HIS 266 Ca -0.11 -0.02 -0.24 0.00 -0.80 0.00 0.00 55.06 53.88 3nnk s HIS 266 Cb 0.07 0.61 0.04 0.00 -1.43 0.00 0.00 32.58 31.87 3nnk s HIS 266 CO 0.87 -0.78 0.98 0.99 -2.00 0.00 0.00 174.74 174.79 3nnk s THR 267 N -3.34 4.32 0.14 -5.38 2.01 -1.26 -5.00 115.64 107.12 3nnk s THR 267 Ca 0.09 0.24 -0.34 0.00 0.31 0.00 0.00 61.69 61.98 3nnk s THR 267 Cb -0.02 -4.59 -0.15 0.00 0.01 0.00 0.00 72.50 67.75 3nnk s THR 267 CO -0.02 -1.22 1.38 1.21 -0.69 0.00 0.00 174.62 175.28 3nnk n GLU 268 N 7.67 1.55 -1.63 4.92 4.07 -1.26 -4.82 120.64 131.14 3nnk n GLU 268 Ca 0.01 0.56 -0.34 0.00 -0.06 0.00 0.00 57.16 57.33 3nnk n GLU 268 Cb 0.47 -2.21 -0.03 0.00 -0.06 0.00 0.00 31.44 29.61 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 0.41 1.60 0.08 4.31 0.00 -1.26 -4.85 121.76 122.05 3nnk s ALA 269 Ca 0.79 -0.17 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 3nnk s ALA 269 Cb -0.82 -4.37 -0.16 0.00 0.00 0.00 0.00 23.12 17.78 3nnk s ALA 269 CO 0.46 -4.55 1.67 1.15 0.00 0.00 0.00 175.76 174.49 3nnk h THR 270 N 7.59 1.02 -0.62 0.00 2.02 -1.96 -2.09 112.91 118.86 3nnk h THR 270 Ca -0.21 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3nnk h THR 270 Cb 1.23 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 3nnk h THR 270 CO 1.15 0.04 0.33 0.74 0.37 0.00 0.00 175.52 178.16 3nnk h THR 271 N -0.09 1.20 -0.14 3.16 2.02 -1.92 -2.73 112.91 114.41 3nnk h THR 271 Ca -0.00 -0.52 -0.14 0.00 0.77 0.00 0.00 66.41 66.51 3nnk h THR 271 Cb 0.09 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3nnk h THR 271 CO 0.01 0.22 -0.52 0.00 0.37 0.00 0.00 175.52 175.59 3nnk h ALA 272 N 1.16 0.84 -0.29 6.16 0.00 -1.93 -2.93 119.26 122.27 3nnk h ALA 272 Ca 0.22 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3nnk h ALA 272 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3nnk h ALA 272 CO -0.03 0.68 -0.19 1.25 0.00 0.00 0.00 179.25 180.95 3nnk h LEU 273 N 0.31 0.52 -0.82 0.00 6.46 -1.23 0.11 115.31 120.66 3nnk h LEU 273 Ca 0.01 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 3nnk h LEU 273 Cb 1.02 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.77 3nnk h LEU 273 CO 0.09 0.72 0.47 -0.26 -0.62 0.00 0.00 178.44 178.84 3nnk h PHE 274 N 0.47 1.10 -0.03 1.25 0.04 -1.37 0.24 116.94 118.64 3nnk h PHE 274 Ca 0.08 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3nnk h PHE 274 Cb 0.60 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 3nnk h PHE 274 CO 0.02 0.75 -0.00 0.78 -0.60 0.00 0.00 178.31 179.26 3nnk h GLY 275 N 1.13 0.05 1.68 -1.45 0.00 -1.22 -1.46 103.07 101.80 3nnk h GLY 275 Ca 0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 3nnk h GLY 275 CO -0.05 0.04 -0.05 0.00 0.00 0.00 0.00 176.54 176.47 3nnk h ALA 276 N 0.70 1.43 -0.54 3.60 0.00 -0.73 0.15 119.26 123.87 3nnk h ALA 276 Ca 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3nnk h ALA 276 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3nnk h ALA 276 CO 0.00 0.40 -0.00 -0.09 0.00 0.00 0.00 179.25 179.56 3nnk h ARG 277 N 0.39 0.92 -0.05 0.00 2.43 -0.47 -2.68 114.38 114.91 3nnk h ARG 277 Ca 0.08 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3nnk h ARG 277 Cb 0.34 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3nnk h ARG 277 CO 0.01 0.91 -0.07 0.93 -1.51 0.00 0.00 179.97 180.24 3nnk h GLU 278 N 0.85 0.13 -0.35 0.20 4.39 -0.51 -2.61 114.58 116.68 3nnk h GLU 278 Ca 0.16 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.85 3nnk h GLU 278 Cb 0.51 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 3nnk h GLU 278 CO 0.02 0.63 -0.17 0.00 -1.16 0.00 0.00 179.01 178.33 3nnk h ALA 280 N 1.14 0.83 -0.20 0.00 0.00 -1.58 -2.52 119.26 116.93 3nnk h ALA 280 Ca 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3nnk h ALA 280 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3nnk h ALA 280 CO -0.42 0.54 0.09 -0.09 0.00 0.00 0.00 179.25 179.36 3nnk h ARG 281 N 0.92 0.20 -0.30 0.00 2.43 -0.94 -2.06 114.38 114.63 3nnk h ARG 281 Ca 0.20 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3nnk h ARG 281 Cb 0.35 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3nnk h ARG 281 CO 0.00 0.13 0.13 -0.07 -1.51 0.00 0.00 179.97 178.65 3nnk h LEU 282 N 0.20 0.40 -1.11 3.80 3.38 -0.86 0.13 115.31 121.25 3nnk h LEU 282 Ca 0.08 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3nnk h LEU 282 Cb 0.02 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3nnk h LEU 282 CO -0.06 0.44 0.60 0.40 0.09 0.00 0.00 178.44 179.91 3nnk h ILE 283 N 0.34 1.23 0.00 1.22 2.04 -1.39 -0.97 117.51 119.98 3nnk h ILE 283 Ca 0.10 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3nnk h ILE 283 Cb 0.15 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3nnk h ILE 283 CO -0.01 0.22 -0.35 -0.07 0.00 0.00 0.00 178.15 177.94 3nnk h LEU 284 N 1.22 0.00 -0.30 1.44 3.38 -1.12 0.97 115.31 120.90 3nnk h LEU 284 Ca 0.33 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 3nnk h LEU 284 Cb -0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3nnk h LEU 284 CO -0.07 0.31 -0.32 1.56 0.09 0.00 0.00 178.44 180.01 3nnk h GLN 285 N 0.00 0.75 -0.15 1.13 4.20 -0.20 -3.03 115.11 117.80 3nnk h GLN 285 Ca -0.01 -0.40 -0.14 0.00 0.06 0.00 0.00 58.65 58.16 3nnk h GLN 285 Cb 1.24 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 3nnk h GLN 285 CO 0.04 1.02 -0.52 1.49 -0.67 0.00 0.00 178.83 180.19 3nnk h GLU 286 N 0.50 0.43 -0.32 1.46 4.81 -1.20 -3.50 114.58 116.77 3nnk h GLU 286 Ca 0.05 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3nnk h GLU 286 Cb 0.89 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3nnk h GLU 286 CO 0.08 0.84 0.00 0.41 -0.73 0.00 0.00 179.01 179.61 3nnk n GLY 287 N 0.15 -0.03 0.33 1.92 0.00 0.32 -4.63 105.19 103.25 3nnk n GLY 287 Ca -0.02 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 0.53 -0.25 0.99 5.85 -1.82 0.06 115.31 120.67 3nnk h LEU 288 Ca 0.00 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3nnk h LEU 288 Cb 0.00 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3nnk h LEU 288 CO 0.00 0.12 0.10 0.44 -0.34 0.00 0.00 178.44 178.76 3nnk h ASP 289 N 0.55 0.13 -0.49 1.25 3.45 -1.91 0.04 116.42 119.45 3nnk h ASP 289 Ca 0.56 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.93 3nnk h ASP 289 Cb 0.98 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.73 3nnk h ASP 289 CO -0.45 0.11 -0.10 1.88 -1.57 0.00 0.00 179.24 179.10 3nnk h TYR 290 N 0.23 1.08 -0.06 4.55 0.05 -1.44 -1.50 116.97 119.88 3nnk h TYR 290 Ca 0.11 -0.22 0.01 0.00 0.05 0.00 0.00 58.73 58.68 3nnk h TYR 290 Cb 0.06 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 3nnk h TYR 290 CO -0.11 1.01 -0.02 0.78 -1.05 0.00 0.00 178.16 178.77 3nnk h GLY 291 N 0.95 0.03 0.79 3.88 0.00 -0.75 0.23 103.07 108.21 3nnk h GLY 291 Ca 0.14 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.53 3nnk h GLY 291 CO 0.05 -0.03 0.27 -2.22 0.00 0.00 0.00 176.54 174.61 3nnk h ILE 292 N -0.01 0.99 -0.92 2.60 2.04 -0.96 -1.90 117.51 119.35 3nnk h ILE 292 Ca 0.03 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3nnk h ILE 292 Cb 0.05 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 3nnk h ILE 292 CO -0.06 0.10 0.58 0.00 0.00 0.00 0.00 178.15 178.77 3nnk h ALA 293 N 1.25 1.29 -0.14 1.87 0.00 -0.86 -2.06 119.26 120.61 3nnk h ALA 293 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3nnk h ALA 293 Cb 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3nnk h ALA 293 CO -0.13 0.63 0.06 -0.09 0.00 0.00 0.00 179.25 179.72 3nnk h ARG 294 N 1.26 0.20 -0.73 0.00 2.43 -0.19 -2.23 114.38 115.12 3nnk h ARG 294 Ca 0.33 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.53 3nnk h ARG 294 Cb -0.10 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 3nnk h ARG 294 CO -0.07 0.28 0.48 0.45 -1.51 0.00 0.00 179.97 179.61 3nnk h HIS 295 N 0.08 0.79 -0.35 2.20 3.86 -1.07 -2.35 115.15 118.31 3nnk h HIS 295 Ca 0.05 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 3nnk h HIS 295 Cb 0.15 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3nnk h HIS 295 CO -0.02 0.42 -0.19 -0.22 0.86 0.00 0.00 177.93 178.79 3nnk h LYS 296 N 0.79 0.74 -0.20 2.45 3.64 -1.20 -2.28 116.57 120.51 3nnk h LYS 296 Ca 0.31 -0.33 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3nnk h LYS 296 Cb 0.22 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3nnk h LYS 296 CO -0.10 0.94 -0.05 1.25 -2.27 0.00 0.00 179.45 179.22 3nnk h LEU 297 N 0.52 -0.19 -0.30 5.20 5.85 -0.88 0.10 115.31 125.61 3nnk h LEU 297 Ca 0.08 0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.66 3nnk h LEU 297 Cb 0.73 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3nnk h LEU 297 CO 0.05 -0.07 -0.86 0.45 -0.34 0.00 0.00 178.44 177.68 3nnk h HIS 298 N -0.00 0.26 -0.31 1.25 3.86 -1.56 -0.76 115.15 117.89 3nnk h HIS 298 Ca 0.09 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3nnk h HIS 298 Cb 0.15 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3nnk h HIS 298 CO -0.22 0.95 0.16 0.78 0.86 0.00 0.00 177.93 180.46 3nnk h GLY 299 N 1.89 0.47 1.43 2.45 0.00 -1.25 -1.60 103.07 106.46 3nnk h GLY 299 Ca -0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3nnk h GLY 299 CO 0.13 0.22 0.06 -0.55 0.00 0.00 0.00 176.54 176.40 3nnk h ASP 300 N 0.37 0.67 0.03 0.19 3.32 -0.68 -2.73 116.42 117.59 3nnk h ASP 300 Ca 0.11 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3nnk h ASP 300 Cb 0.10 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3nnk h ASP 300 CO -0.01 0.70 -0.02 0.00 -1.72 0.00 0.00 179.24 178.19 3nnk h ALA 301 N 1.39 -0.04 -0.39 3.45 0.00 -0.97 -2.86 119.26 119.82 3nnk h ALA 301 Ca 0.15 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3nnk h ALA 301 Cb 0.33 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3nnk h ALA 301 CO 0.01 -0.40 0.11 1.25 0.00 0.00 0.00 179.25 180.22 3nnk h LEU 302 N -0.29 0.09 0.12 0.00 5.85 -1.25 -2.53 115.31 117.30 3nnk h LEU 302 Ca -0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3nnk h LEU 302 Cb 0.27 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3nnk h LEU 302 CO 0.01 0.09 -0.20 0.58 -0.34 0.00 0.00 178.44 178.58 3nnk h VAL 303 N 0.26 0.56 -0.62 1.05 2.07 -1.51 -0.23 116.25 117.83 3nnk h VAL 303 Ca 0.18 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 3nnk h VAL 303 Cb 0.19 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 3nnk h VAL 303 CO -0.21 0.00 0.20 0.11 0.02 0.00 0.00 177.57 177.69 3nnk h LYS 304 N -0.38 0.35 -0.66 1.57 1.57 -1.35 0.34 116.57 118.02 3nnk h LYS 304 Ca 0.02 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3nnk h LYS 304 Cb 0.39 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3nnk h LYS 304 CO -0.10 0.23 0.26 0.78 -0.57 0.00 0.00 179.45 180.06 3nnk h GLY 305 N 0.37 1.05 0.97 3.86 0.00 -1.19 0.16 103.07 108.29 3nnk h GLY 305 Ca 0.32 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3nnk h GLY 305 CO -0.34 0.54 0.18 -2.22 0.00 0.00 0.00 176.54 174.69 3nnk h ILE 306 N 0.93 1.22 -0.20 2.60 1.08 0.02 -0.24 117.51 122.92 3nnk h ILE 306 Ca 0.22 -0.70 -0.09 0.00 -0.39 0.00 0.00 64.86 63.90 3nnk h ILE 306 Cb 0.21 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 3nnk h ILE 306 CO -0.02 0.26 -0.27 1.56 -0.69 0.00 0.00 178.15 178.99 3nnk h GLN 307 N 0.65 0.39 0.00 2.37 4.20 -0.19 -2.01 115.11 120.53 3nnk h GLN 307 Ca 0.16 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3nnk h GLN 307 Cb 0.23 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3nnk h GLN 307 CO -0.01 0.64 0.00 0.00 -0.67 0.00 0.00 178.83 178.79 3nnk n ALA 308 N -2.48 2.03 1.64 3.87 0.00 0.54 -2.52 120.51 123.58 3nnk n ALA 308 Ca -0.01 0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.60 3nnk n ALA 308 Cb 0.41 -1.44 0.75 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.23 0.89 -1.99 0.00 0.00 -0.12 -3.99 117.12 109.67 3nnk n MET 309 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 57.70 57.50 3nnk n MET 309 Cb 0.35 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.07 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 1.17 0.26 3.71 -5.12 0.00 -1.05 -4.84 105.19 99.32 3nnk n GLY 310 Ca 0.18 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.96 3.77 0.62 0.99 1.43 -1.06 -5.06 118.68 118.41 3nnk s LEU 311 Ca 0.00 0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 3nnk s LEU 311 Cb 0.00 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3nnk s LEU 311 CO 0.00 0.35 1.05 -1.61 0.23 0.00 0.00 176.35 176.37 3nnk s GLU 312 N -0.67 3.26 0.30 1.70 2.02 -1.26 -4.36 118.70 119.68 3nnk s GLU 312 Ca 0.11 1.10 0.11 0.00 0.02 0.00 0.00 54.97 56.32 3nnk s GLU 312 Cb -0.12 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 3nnk s GLU 312 CO 0.02 -0.85 -0.17 0.95 0.02 0.00 0.00 175.26 175.24 3nnk s THR 313 N -2.66 2.39 -0.05 3.63 -4.23 -1.26 -1.72 115.64 111.74 3nnk s THR 313 Ca 0.61 -2.34 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 3nnk s THR 313 Cb -0.15 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 3nnk s THR 313 CO 0.42 -0.34 0.06 0.12 -0.54 0.00 0.00 174.62 174.34 3nnk s PHE 314 N -2.55 3.29 0.00 3.99 5.36 0.03 -4.80 117.98 123.31 3nnk s PHE 314 Ca 0.31 0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 3nnk s PHE 314 Cb -0.03 -1.78 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 3nnk s PHE 314 CO 0.15 0.55 0.00 0.41 -1.46 0.00 0.00 175.22 174.87 3nnk n GLY 315 N 1.64 -0.51 3.58 13.12 0.00 -1.26 -4.61 105.19 117.15 3nnk n GLY 315 Ca -0.16 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.77 5.99 0.51 1.61 -1.08 -1.08 -4.90 116.67 114.96 3nnk s ASP 316 Ca 0.00 0.68 0.27 0.00 -0.52 0.00 0.00 52.55 52.98 3nnk s ASP 316 Cb 0.00 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.31 3nnk s ASP 316 CO 0.00 -1.74 2.04 -0.07 0.52 0.00 0.00 175.17 175.92 3nnk h LEU 317 N 13.52 0.00 -2.02 -1.34 3.38 -1.93 -2.31 115.31 124.61 3nnk h LEU 317 Ca -0.28 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.71 3nnk h LEU 317 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3nnk h LEU 317 CO 1.12 0.13 0.06 0.11 0.09 0.00 0.00 178.44 179.96 3nnk h LYS 318 N 0.00 0.00 -0.15 1.13 1.57 -2.01 -2.97 116.57 114.14 3nnk h LYS 318 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nnk h LYS 318 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3nnk h LYS 318 CO 0.02 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.62 3nnk n HIS 319 N -4.48 0.48 -2.18 -1.35 8.25 -0.88 -5.05 115.22 110.01 3nnk n HIS 319 Ca -0.01 -0.87 -0.40 0.00 -0.26 0.00 0.00 57.72 56.18 3nnk n HIS 319 Cb 0.18 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 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 -2.59 4.21 0.50 -0.41 2.20 -1.13 -0.11 119.74 122.41 3nnk s LYS 320 Ca 0.34 2.07 -0.24 0.00 -0.36 0.00 0.00 55.97 57.78 3nnk s LYS 320 Cb 0.28 -2.91 -0.07 0.00 -1.51 0.00 0.00 37.83 33.62 3nnk s LYS 320 CO 0.06 -0.26 1.40 -1.33 -0.36 0.00 0.00 175.35 174.87 3nnk n MET 321 N 0.49 1.99 0.19 4.03 2.81 0.55 -4.71 117.12 122.46 3nnk n MET 321 Ca 0.02 0.72 0.04 0.00 -1.81 0.00 0.00 57.70 56.66 3nnk n MET 321 Cb 0.44 -2.61 0.44 0.00 -0.71 0.00 0.00 33.22 30.78 3nnk n MET 321 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3nnk h ASN 322 N 1.88 0.06 -0.46 7.83 2.35 -1.90 -3.28 115.58 122.06 3nnk h ASN 322 Ca -0.51 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3nnk h ASN 322 Cb 1.29 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3nnk h ASN 322 CO 0.59 0.28 0.00 -0.46 -1.65 0.00 0.00 177.43 176.19 3nnk n ASN 323 N -4.26 3.27 -3.86 5.81 6.94 -1.26 -3.98 115.26 117.92 3nnk n ASN 323 Ca -0.02 -1.97 -0.12 0.00 -0.02 0.00 0.00 54.58 52.46 3nnk n ASN 323 Cb 0.29 -0.31 -0.12 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.04 0.02 -0.04 3.53 1.01 -1.24 -1.07 120.40 121.57 3nnk s VAL 324 Ca 0.33 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3nnk s VAL 324 Cb 0.18 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.37 3nnk s VAL 324 CO 0.23 -0.11 -0.11 -0.22 0.00 0.00 0.00 175.10 174.89 3nnk s LEU 325 N -0.33 1.73 -0.40 3.92 0.20 0.57 -4.54 118.68 119.83 3nnk s LEU 325 Ca -0.04 -0.25 -0.17 0.00 0.69 0.00 0.00 54.13 54.35 3nnk s LEU 325 Cb -0.03 -0.72 0.01 0.00 -0.43 0.00 0.00 46.19 45.03 3nnk s LEU 325 CO 0.00 0.06 0.45 -0.83 -0.29 0.00 0.00 176.35 175.75 3nnk s GLY 326 N 0.37 1.87 -0.26 7.98 0.00 -1.26 -0.67 107.32 115.34 3nnk s GLY 326 Ca -0.08 -1.38 -0.07 0.00 0.00 0.00 0.00 44.72 43.20 3nnk s GLY 326 CO 0.02 1.19 0.06 0.14 0.00 0.00 0.00 173.10 174.51 3nnk s VAL 327 N 2.22 4.08 0.07 1.40 1.01 0.15 -0.79 120.40 128.54 3nnk s VAL 327 Ca 0.14 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 3nnk s VAL 327 Cb -0.16 -2.98 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 3nnk s VAL 327 CO 0.14 0.24 1.36 -0.69 0.00 0.00 0.00 175.10 176.15 3nnk s VAL 328 N 1.56 3.55 -0.21 2.92 1.01 -0.70 0.38 120.40 128.91 3nnk s VAL 328 Ca 0.05 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 3nnk s VAL 328 Cb -0.16 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3nnk s VAL 328 CO 0.02 0.06 1.09 -0.63 0.00 0.00 0.00 175.10 175.65 3nnk s ILE 329 N 1.46 4.58 0.68 2.22 1.01 0.78 -4.53 121.20 127.40 3nnk s ILE 329 Ca 0.63 1.91 -0.16 0.00 0.00 0.00 0.00 60.65 63.04 3nnk s ILE 329 Cb -0.34 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 37.91 3nnk s ILE 329 CO 0.29 -0.16 1.17 -2.84 0.00 0.00 0.00 174.94 173.40 3nnk s PRO 330 N 3.19 2.52 -0.01 2.79 0.02 -1.26 -4.91 135.00 137.34 3nnk s PRO 330 Ca 0.47 1.65 -0.36 0.00 0.02 0.00 0.00 61.00 62.77 3nnk s PRO 330 Cb -0.17 -1.89 -0.15 0.00 0.02 0.00 0.00 34.50 32.31 3nnk s PRO 330 CO 0.09 -1.52 1.61 1.04 -0.33 0.00 0.00 177.00 177.89 3nnk n GLN 331 N -2.40 1.65 0.00 5.54 3.00 -1.26 -2.90 117.38 121.01 3nnk n GLN 331 Ca 0.12 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 3nnk n GLN 331 Cb 0.51 -2.33 0.00 0.00 0.00 0.00 0.00 30.24 28.42 3nnk n GLN 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3nnk n GLY 332 N 3.54 2.92 3.70 1.08 0.00 -1.26 -5.01 105.19 110.15 3nnk n GLY 332 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nnk s ILE 333 N -2.19 4.87 -0.35 -0.61 -4.36 -1.14 -5.01 121.20 112.40 3nnk s ILE 333 Ca 0.00 1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 61.98 3nnk s ILE 333 Cb 0.00 -4.24 0.02 0.00 1.25 0.00 0.00 42.46 39.49 3nnk s ILE 333 CO 0.00 0.09 1.09 0.21 0.24 0.00 0.00 174.94 176.57 3nnk s ASN 334 N 1.04 6.87 0.21 4.36 3.84 -1.26 -4.71 114.94 125.29 3nnk s ASN 334 Ca 0.46 0.93 -0.09 0.00 0.21 0.00 0.00 52.86 54.37 3nnk s ASN 334 Cb -0.19 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.25 3nnk s ASN 334 CO 0.20 -0.95 1.77 1.23 -2.79 0.00 0.00 177.10 176.56 3nnk h GLY 335 N 10.31 0.93 2.00 1.21 0.00 -1.93 -1.92 103.07 113.67 3nnk h GLY 335 Ca -0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3nnk h GLY 335 CO 1.05 0.05 -0.08 1.29 0.00 0.00 0.00 176.54 178.85 3nnk h ASP 336 N 0.53 0.00 0.60 0.19 -0.00 -1.93 -3.14 116.42 112.66 3nnk h ASP 336 Ca 0.31 0.00 -0.28 0.00 -0.00 0.00 0.00 57.03 57.06 3nnk h ASP 336 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.65 3nnk h ASP 336 CO -0.26 0.08 -1.32 -0.61 -0.00 0.00 0.00 179.24 177.13 3nnk h GLN 337 N 0.00 0.25 -0.82 4.15 4.15 -1.78 -2.78 115.11 118.28 3nnk h GLN 337 Ca -0.00 -0.42 -0.03 0.00 0.77 0.00 0.00 58.65 58.97 3nnk h GLN 337 Cb 0.79 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.60 3nnk h GLN 337 CO 0.01 1.16 0.39 0.00 -1.93 0.00 0.00 178.83 178.47 3nnk h ALA 338 N 0.59 1.05 -0.21 3.38 0.00 -1.43 -2.19 119.26 120.44 3nnk h ALA 338 Ca -0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3nnk h ALA 338 Cb 1.97 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3nnk h ALA 338 CO 0.19 0.61 0.12 0.00 0.00 0.00 0.00 179.25 180.17 3nnk h ARG 339 N 1.16 0.24 -0.39 0.00 3.08 -1.57 0.15 114.38 117.04 3nnk h ARG 339 Ca 0.28 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.36 3nnk h ARG 339 Cb 0.11 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3nnk h ARG 339 CO -0.04 0.16 0.14 -0.22 -1.07 0.00 0.00 179.97 178.95 3nnk h LYS 340 N 0.25 0.30 -0.20 0.04 3.64 -1.36 -1.00 116.57 118.22 3nnk h LYS 340 Ca 0.08 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 3nnk h LYS 340 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3nnk h LYS 340 CO -0.05 0.20 -0.39 -0.07 -2.27 0.00 0.00 179.45 176.87 3nnk h LEU 341 N 0.31 0.48 -0.70 5.20 3.38 -1.20 -0.42 115.31 122.36 3nnk h LEU 341 Ca 0.18 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3nnk h LEU 341 Cb 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3nnk h LEU 341 CO -0.18 0.83 -0.10 0.24 0.09 0.00 0.00 178.44 179.32 3nnk h MET 342 N 0.39 0.90 0.05 1.13 2.86 -0.40 -2.35 114.93 117.51 3nnk h MET 342 Ca 0.04 -0.31 -0.15 0.00 -2.06 0.00 0.00 59.70 57.21 3nnk h MET 342 Cb 0.86 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3nnk h MET 342 CO 0.07 0.96 -0.79 1.25 1.06 0.00 0.00 176.91 179.46 3nnk h LEU 343 N 0.81 0.18 0.01 1.22 5.85 -0.82 0.11 115.31 122.66 3nnk h LEU 343 Ca 0.13 -0.84 -0.26 0.00 0.84 0.00 0.00 57.88 57.76 3nnk h LEU 343 Cb 0.62 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3nnk h LEU 343 CO 0.04 1.34 -1.13 -0.33 -0.34 0.00 0.00 178.44 178.02 3nnk h GLU 344 N -0.72 0.31 0.00 1.25 5.08 -1.19 -1.59 114.58 117.72 3nnk h GLU 344 Ca -0.18 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 57.65 3nnk h GLU 344 Cb 1.37 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 3nnk h GLU 344 CO -0.01 1.17 -2.08 -0.25 -1.00 0.00 0.00 179.01 176.84 3nnk n ASP 345 N -3.61 0.01 -0.00 1.42 8.00 -0.89 -4.55 116.55 116.93 3nnk n ASP 345 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3nnk n ASP 345 Cb 0.95 1.75 -0.00 0.00 -0.02 0.00 0.00 41.12 43.80 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 -2.38 0.00 -2.21 1.24 3.72 -1.16 -5.03 117.46 111.65 3nnk n PHE 346 Ca -0.11 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.20 3nnk n PHE 346 Cb 0.71 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.24 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 1.88 0.02 3.15 1.37 0.00 -0.60 -4.92 105.19 106.10 3nnk n GLY 347 Ca -0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.48 1.89 -0.21 -0.61 1.01 0.32 -0.38 121.20 120.74 3nnk s ILE 348 Ca 0.01 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 3nnk s ILE 348 Cb -0.01 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3nnk s ILE 348 CO 0.02 0.52 0.40 -0.70 0.00 0.00 0.00 174.94 175.18 3nnk s GLU 349 N 0.73 4.15 0.12 2.79 2.12 -0.05 -2.40 118.70 126.16 3nnk s GLU 349 Ca -0.10 0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.50 3nnk s GLU 349 Cb -0.16 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 3nnk s GLU 349 CO 0.01 -0.08 -0.12 0.96 -0.54 0.00 0.00 175.26 175.49 3nnk s ILE 350 N 1.45 3.19 0.20 -3.70 -4.36 -1.26 -0.19 121.20 116.52 3nnk s ILE 350 Ca 0.19 -1.42 -0.29 0.00 -0.26 0.00 0.00 60.65 58.87 3nnk s ILE 350 Cb -0.15 -2.50 -0.08 0.00 1.25 0.00 0.00 42.46 40.98 3nnk s ILE 350 CO 0.08 0.06 0.91 -0.83 0.24 0.00 0.00 174.94 175.40 3nnk s GLY 351 N -2.33 3.06 0.31 6.27 0.00 0.98 -4.78 107.32 110.82 3nnk s GLY 351 Ca 0.21 0.56 -0.12 0.00 0.00 0.00 0.00 44.72 45.36 3nnk s GLY 351 CO 0.13 1.17 0.68 -1.08 0.00 0.00 0.00 173.10 174.00 3nnk s THR 352 N -0.97 4.78 0.14 0.90 -1.32 -1.26 -0.69 115.64 117.23 3nnk s THR 352 Ca 0.41 0.72 -0.14 0.00 -1.21 0.00 0.00 61.69 61.47 3nnk s THR 352 Cb -0.25 -3.64 -0.07 0.00 -1.51 0.00 0.00 72.50 67.04 3nnk s THR 352 CO 0.30 -0.22 0.53 -0.44 -2.21 0.00 0.00 174.62 172.59 3nnk s SER 353 N -2.48 6.79 0.34 8.08 0.01 -1.20 -4.74 113.70 120.50 3nnk s SER 353 Ca 0.51 1.04 0.07 0.00 1.31 0.00 0.00 55.95 58.88 3nnk s SER 353 Cb -0.10 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 3nnk s SER 353 CO 0.21 0.10 0.35 -0.36 0.41 0.00 0.00 173.24 173.95 3nnk s PHE 354 N -1.48 2.96 0.00 2.43 0.08 -1.26 -3.80 117.98 116.91 3nnk s PHE 354 Ca 0.38 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.15 3nnk s PHE 354 Cb -0.15 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 3nnk s PHE 354 CO 0.19 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.83 3nnk n GLY 355 N -1.47 1.89 0.19 4.36 0.00 -1.26 -3.69 105.19 105.22 3nnk n GLY 355 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3nnk n GLY 355 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 356 N 13.15 0.35 0.00 1.61 -0.04 -1.26 -1.59 135.00 147.21 3nnk n PRO 356 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3nnk n PRO 356 Cb 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3nnk n PRO 356 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3nnk n LEU 357 N -0.18 0.28 -4.66 1.53 4.77 -1.24 -5.00 117.00 112.51 3nnk n LEU 357 Ca 0.00 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.28 3nnk n LEU 357 Cb 0.03 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3nnk n LEU 357 CO 0.00 0.07 1.59 -2.28 -1.33 0.00 0.00 177.39 175.44 3nnk s HIS 358 N -0.01 1.33 0.00 -1.77 2.46 -0.62 -0.73 115.29 115.95 3nnk s HIS 358 Ca 0.00 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.18 3nnk s HIS 358 Cb 0.00 -4.20 0.00 0.00 -0.13 0.00 0.00 32.58 28.25 3nnk s HIS 358 CO 0.00 -5.34 0.00 0.41 -2.47 0.00 0.00 174.74 167.34 3nnk n GLY 359 N 4.58 1.91 0.09 1.59 0.00 -1.26 -4.86 105.19 107.23 3nnk n GLY 359 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 1.19 -3.93 1.61 4.76 0.09 -4.69 118.16 115.18 3nnk n LYS 360 Ca 0.00 -0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.29 3nnk n LYS 360 Cb 0.00 -1.44 -0.15 0.00 -1.84 0.00 0.00 35.03 31.60 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 -2.41 0.11 0.08 -0.18 1.01 -0.83 -0.16 120.40 118.02 3nnk s VAL 361 Ca -0.09 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 3nnk s VAL 361 Cb 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.23 3nnk s VAL 361 CO 0.69 0.07 0.32 0.26 0.00 0.00 0.00 175.10 176.44 3nnk s TRP 362 N 0.35 3.53 -0.28 5.22 0.51 0.16 -3.23 118.94 125.20 3nnk s TRP 362 Ca -0.03 0.56 -0.04 0.00 -2.12 0.00 0.00 56.10 54.46 3nnk s TRP 362 Cb -0.05 -1.99 0.02 0.00 -0.81 0.00 0.00 33.47 30.64 3nnk s TRP 362 CO -0.01 0.53 0.02 1.03 -0.51 0.00 0.00 176.95 178.01 3nnk s ARG 363 N -2.21 2.90 -0.22 4.98 0.52 0.13 0.32 118.95 125.36 3nnk s ARG 363 Ca 0.34 -0.97 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 3nnk s ARG 363 Cb -0.13 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 3nnk s ARG 363 CO 0.21 -0.46 -0.03 0.42 0.02 0.00 0.00 175.30 175.46 3nnk s ILE 364 N 1.40 3.48 0.03 1.52 1.01 0.15 -0.02 121.20 128.78 3nnk s ILE 364 Ca 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 3nnk s ILE 364 Cb -0.17 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3nnk s ILE 364 CO -0.00 0.42 0.15 -0.83 0.00 0.00 0.00 174.94 174.67 3nnk s GLY 365 N 1.47 2.12 -0.54 6.18 0.00 0.92 -0.32 107.32 117.16 3nnk s GLY 365 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.96 3nnk s GLY 365 CO -0.02 -0.79 0.38 -0.51 0.00 0.00 0.00 173.10 172.16 3nnk s THR 366 N -1.36 1.65 0.24 0.90 -4.23 -0.23 -4.58 115.64 108.03 3nnk s THR 366 Ca 0.29 -3.30 0.12 0.00 -1.18 0.00 0.00 61.69 57.62 3nnk s THR 366 Cb -0.13 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 3nnk s THR 366 CO 0.21 -1.06 -0.22 -0.04 -0.54 0.00 0.00 174.62 172.97 3nnk s MET 367 N -0.49 1.59 0.00 3.99 -1.94 -1.26 -4.38 119.30 116.81 3nnk s MET 367 Ca 0.26 -1.65 0.00 0.00 -1.71 0.00 0.00 55.69 52.59 3nnk s MET 367 Cb -0.07 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 34.99 3nnk s MET 367 CO -0.14 0.36 0.00 0.41 -0.01 0.00 0.00 175.02 175.64 3nnk n GLY 368 N -0.19 1.76 0.24 -0.03 0.00 -1.24 -0.10 105.19 105.62 3nnk n GLY 368 Ca -0.09 0.37 0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.05 1.61 3.20 -1.82 -2.41 116.97 117.49 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 -3.92 1.74 -3.81 -2.11 3.02 0.86 -4.40 115.26 106.65 3nnk n ASN 370 Ca -0.02 -1.60 -0.42 0.00 -0.03 0.00 0.00 54.58 52.50 3nnk n ASN 370 Cb 0.26 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nnk n ALA 371 N 0.36 5.41 -2.29 5.41 0.00 -0.58 -4.36 120.51 124.46 3nnk n ALA 371 Ca 0.18 -4.01 -0.16 0.00 0.00 0.00 0.00 53.44 49.46 3nnk n ALA 371 Cb 0.38 -3.38 -0.10 0.00 0.00 0.00 0.00 19.45 16.36 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 2.40 1.22 0.20 0.00 0.52 -1.26 -4.82 118.95 117.20 3nnk s ARG 372 Ca 0.45 -1.59 -0.10 0.00 -0.52 0.00 0.00 55.73 53.97 3nnk s ARG 372 Cb 0.12 -0.54 0.14 0.00 0.52 0.00 0.00 34.95 35.19 3nnk s ARG 372 CO -0.06 -0.06 1.82 -0.22 0.02 0.00 0.00 175.30 176.80 3nnk h LYS 373 N 2.60 1.02 0.00 3.54 3.64 -1.98 -3.03 116.57 122.36 3nnk h LYS 373 Ca -0.37 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 58.78 3nnk h LYS 373 Cb 1.21 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 3nnk h LYS 373 CO 0.64 0.76 -0.52 0.38 -2.27 0.00 0.00 179.45 178.44 3nnk h ASP 374 N 1.00 0.00 0.04 4.20 2.03 -1.97 -1.24 116.42 120.48 3nnk h ASP 374 Ca 0.26 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.41 3nnk h ASP 374 Cb 0.04 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 3nnk h ASP 374 CO -0.04 0.52 -0.50 0.00 -1.03 0.00 0.00 179.24 178.18 3nnk h VAL 376 N 0.41 1.28 -0.04 0.00 2.07 -1.35 -2.75 116.25 115.86 3nnk h VAL 376 Ca 0.02 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.69 3nnk h VAL 376 Cb 1.03 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3nnk h VAL 376 CO 0.09 0.22 0.01 0.24 0.02 0.00 0.00 177.57 178.15 3nnk h MET 377 N -0.37 0.02 -0.23 1.57 2.07 -1.26 -2.24 114.93 114.49 3nnk h MET 377 Ca -0.00 -0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.65 3nnk h MET 377 Cb 0.37 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.07 3nnk h MET 377 CO 0.00 0.02 0.07 1.15 1.07 0.00 0.00 176.91 179.22 3nnk h THR 378 N 0.02 0.93 -0.64 2.22 2.02 -1.34 -2.24 112.91 113.88 3nnk h THR 378 Ca 0.02 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 3nnk h THR 378 Cb 0.02 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3nnk h THR 378 CO -0.03 0.03 0.04 0.74 0.37 0.00 0.00 175.52 176.68 3nnk h THR 379 N 0.17 1.27 0.16 3.16 2.02 -1.46 -1.44 112.91 116.79 3nnk h THR 379 Ca 0.10 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 3nnk h THR 379 Cb 0.08 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3nnk h THR 379 CO -0.12 0.41 -0.08 -0.07 0.37 0.00 0.00 175.52 176.04 3nnk h LEU 380 N 1.00 -0.18 -1.18 2.58 3.38 -1.23 -0.39 115.31 119.30 3nnk h LEU 380 Ca 0.19 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3nnk h LEU 380 Cb 0.52 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3nnk h LEU 380 CO 0.02 -0.09 -0.12 0.77 0.09 0.00 0.00 178.44 179.11 3nnk h SER 381 N -0.26 0.41 -0.10 -0.43 4.64 -1.37 -1.97 113.55 114.47 3nnk h SER 381 Ca -0.02 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3nnk h SER 381 Cb 0.20 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3nnk h SER 381 CO 0.04 0.57 -0.06 0.00 -0.87 0.00 0.00 176.83 176.50 3nnk h ALA 382 N 1.48 0.14 -0.69 5.18 0.00 -1.12 -1.71 119.26 122.55 3nnk h ALA 382 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3nnk h ALA 382 Cb 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3nnk h ALA 382 CO 0.03 -0.07 0.38 1.25 0.00 0.00 0.00 179.25 180.84 3nnk h LEU 383 N -0.16 0.85 -0.39 0.00 6.46 -0.96 -0.99 115.31 120.12 3nnk h LEU 383 Ca 0.02 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3nnk h LEU 383 Cb 0.53 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 3nnk h LEU 383 CO 0.02 0.69 0.18 -0.08 -0.62 0.00 0.00 178.44 178.63 3nnk h GLU 384 N 0.94 0.57 -0.58 1.25 4.81 -1.38 0.09 114.58 120.27 3nnk h GLU 384 Ca 0.24 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3nnk h GLU 384 Cb 0.03 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3nnk h GLU 384 CO -0.04 0.51 0.38 0.00 -0.73 0.00 0.00 179.01 179.13 3nnk h ALA 385 N 1.03 0.74 -0.18 2.92 0.00 -1.03 0.12 119.26 122.85 3nnk h ALA 385 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3nnk h ALA 385 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3nnk h ALA 385 CO -0.02 0.18 0.03 0.28 0.00 0.00 0.00 179.25 179.73 3nnk h VAL 386 N 0.79 1.22 -0.24 0.00 2.07 -1.03 -1.79 116.25 117.27 3nnk h VAL 386 Ca 0.21 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3nnk h VAL 386 Cb -0.08 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3nnk h VAL 386 CO -0.04 0.22 0.15 -0.07 0.02 0.00 0.00 177.57 177.85 3nnk h LEU 387 N 0.10 0.29 -0.30 2.57 3.38 -0.83 -2.43 115.31 118.09 3nnk h LEU 387 Ca 0.06 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3nnk h LEU 387 Cb 0.30 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3nnk h LEU 387 CO 0.00 0.24 0.05 0.78 0.09 0.00 0.00 178.44 179.60 3nnk h ASN 388 N 0.31 -0.02 -0.43 -0.43 2.35 -0.74 -1.46 115.58 115.16 3nnk h ASN 388 Ca 0.09 0.05 0.12 0.00 -0.55 0.00 0.00 56.30 56.01 3nnk h ASN 388 Cb 0.00 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3nnk h ASN 388 CO -0.02 0.03 0.31 0.22 -1.65 0.00 0.00 177.43 176.32 3nnk h TYR 389 N 0.15 0.02 -0.40 1.19 -0.00 -1.22 -0.76 116.97 115.95 3nnk h TYR 389 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.81 3nnk h TYR 389 Cb 0.16 -0.01 -0.03 0.00 -0.00 0.00 0.00 36.73 36.85 3nnk h TYR 389 CO -0.18 0.01 0.07 1.28 -0.00 0.00 0.00 178.16 179.34 3nnk n LEU 390 N -4.42 4.14 -2.16 2.82 4.32 -0.59 -4.92 117.00 116.18 3nnk n LEU 390 Ca 0.07 -2.12 -0.15 0.00 -0.02 0.00 0.00 56.01 53.79 3nnk n LEU 390 Cb 0.49 -0.63 0.03 0.00 -1.62 0.00 0.00 43.42 41.69 3nnk n LEU 390 CO 0.36 0.54 0.01 0.29 -1.22 0.00 0.00 177.39 177.38 3nnk n LYS 391 N 0.22 -3.50 -3.75 3.23 5.02 -0.29 -4.93 118.16 114.16 3nnk n LYS 391 Ca 0.20 0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 56.74 3nnk n LYS 391 Cb 0.90 -4.88 -0.12 0.00 -0.02 0.00 0.00 35.03 30.90 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3nnk s PHE 392 N -2.99 3.35 0.18 2.13 5.36 -0.94 -5.03 117.98 120.04 3nnk s PHE 392 Ca 0.22 -1.77 -0.31 0.00 -0.96 0.00 0.00 56.93 54.11 3nnk s PHE 392 Cb -0.10 -2.62 -0.10 0.00 -0.34 0.00 0.00 43.02 39.86 3nnk s PHE 392 CO 0.27 -0.83 1.48 -2.14 -1.46 0.00 0.00 175.22 172.55 3nnk s PRO 393 N 1.32 4.26 0.26 10.12 0.02 -1.26 -4.06 135.00 145.66 3nnk s PRO 393 Ca 0.01 2.27 0.05 0.00 0.02 0.00 0.00 61.00 63.36 3nnk s PRO 393 Cb -0.21 -3.16 -0.06 0.00 0.02 0.00 0.00 34.50 31.09 3nnk s PRO 393 CO 0.00 -0.50 -0.04 0.95 -0.33 0.00 0.00 177.00 177.08 3nnk s THR 394 N 0.74 1.42 -0.51 0.99 -4.23 -1.26 -5.02 115.64 107.77 3nnk s THR 394 Ca 0.65 -2.09 -0.27 0.00 -1.18 0.00 0.00 61.69 58.81 3nnk s THR 394 Cb -0.42 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.04 3nnk s THR 394 CO 0.35 -0.30 1.03 -0.89 -0.54 0.00 0.00 174.62 174.26 3nnk s THR 395 N -3.16 4.31 -0.38 3.99 2.01 -1.26 -4.95 115.64 116.19 3nnk s THR 395 Ca 0.29 0.79 -0.43 0.00 0.31 0.00 0.00 61.69 62.65 3nnk s THR 395 Cb 0.05 -4.55 -0.17 0.00 0.01 0.00 0.00 72.50 67.83 3nnk s THR 395 CO 0.11 -1.03 1.72 1.67 -0.69 0.00 0.00 174.62 176.40 3nnk n GLN 396 N 7.63 0.63 0.00 4.92 7.27 -1.26 -1.27 117.38 135.30 3nnk n GLN 396 Ca 0.07 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.37 3nnk n GLN 396 Cb 0.49 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 31.29 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 4.36 2.61 0.32 1.69 0.00 -1.26 -4.92 105.19 107.99 3nnk n GLY 397 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 1.10 -0.37 4.61 0.00 -1.50 -0.50 119.26 122.60 3nnk h ALA 398 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3nnk h ALA 398 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3nnk h ALA 398 CO 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 179.53 3nnk h ALA 399 N 1.23 0.71 -0.05 0.00 0.00 -1.77 -2.18 119.26 117.20 3nnk h ALA 399 Ca 0.21 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 3nnk h ALA 399 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3nnk h ALA 399 CO -0.00 0.66 -0.78 0.52 0.00 0.00 0.00 179.25 179.65 3nnk h MET 400 N 0.70 0.34 -0.03 0.00 2.86 -1.84 -3.19 114.93 113.77 3nnk h MET 400 Ca 0.07 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3nnk h MET 400 Cb 0.89 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 3nnk h MET 400 CO 0.08 0.96 0.02 0.37 1.06 0.00 0.00 176.91 179.40 3nnk h GLN 401 N 0.22 0.04 -0.79 1.72 5.75 -0.95 0.15 115.11 121.25 3nnk h GLN 401 Ca -0.04 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3nnk h GLN 401 Cb 1.36 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.86 3nnk h GLN 401 CO 0.13 0.05 0.46 0.00 -2.65 0.00 0.00 178.83 176.81 3nnk h ALA 402 N 0.99 1.32 0.12 3.38 0.00 -1.47 0.33 119.26 123.93 3nnk h ALA 402 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3nnk h ALA 402 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3nnk h ALA 402 CO -0.00 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.76 3nnk h ALA 403 N 1.41 -0.17 -0.78 0.00 0.00 -1.50 -1.71 119.26 116.50 3nnk h ALA 403 Ca 0.28 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3nnk h ALA 403 Cb -0.02 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3nnk h ALA 403 CO -0.05 -0.42 0.46 -1.49 0.00 0.00 0.00 179.25 177.75 3nnk h TRP 404 N -0.51 0.84 -0.42 0.00 6.55 -0.67 -0.98 115.95 120.76 3nnk h TRP 404 Ca -0.02 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 3nnk h TRP 404 Cb 0.41 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.43 3nnk h TRP 404 CO 0.04 0.40 0.06 -0.44 -1.05 0.00 0.00 178.44 177.44 3nnk h ASP 405 N 0.82 0.60 -0.32 -3.49 3.32 -0.35 -0.64 116.42 116.36 3nnk h ASP 405 Ca 0.36 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 3nnk h ASP 405 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3nnk h ASP 405 CO -0.20 0.63 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.12 3nnk h HIS 406 N 0.62 0.71 -0.38 4.55 2.76 -0.37 -1.97 115.15 121.08 3nnk h HIS 406 Ca 0.14 -0.16 -0.15 0.00 -2.20 0.00 0.00 60.37 58.00 3nnk h HIS 406 Cb 0.31 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3nnk h HIS 406 CO 0.01 0.82 -0.33 1.88 -1.30 0.00 0.00 177.93 179.01 3nnk h TYR 407 N 0.40 1.06 -0.41 5.26 0.05 -1.04 -2.38 116.97 119.91 3nnk h TYR 407 Ca 0.08 -0.31 -0.09 0.00 0.05 0.00 0.00 58.73 58.46 3nnk h TYR 407 Cb 0.60 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3nnk h TYR 407 CO 0.05 1.12 -0.12 0.00 -1.05 0.00 0.00 178.16 178.16 3nnk h ARG 408 N 0.71 0.74 -0.25 4.88 -0.00 -1.16 -2.68 114.38 116.60 3nnk h ARG 408 Ca 0.07 -0.24 -0.14 0.00 -0.50 0.00 0.00 59.98 59.16 3nnk h ARG 408 Cb 0.92 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.82 3nnk h ARG 408 CO 0.08 0.83 -0.43 0.77 0.00 0.00 0.00 179.97 181.22 3nnk h SER 409 N 0.67 0.67 1.36 7.04 0.02 -1.30 -3.16 113.55 118.85 3nnk h SER 409 Ca 0.11 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3nnk h SER 409 Cb 0.58 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3nnk h SER 409 CO 0.04 1.01 -0.11 1.21 -1.14 0.00 0.00 176.83 177.84 3nnk n GLU 410 N -4.02 0.27 0.00 3.45 4.07 -0.90 -5.10 120.64 118.40 3nnk n GLU 410 Ca -0.02 0.19 0.14 0.00 -0.06 0.00 0.00 57.16 57.41 3nnk n GLU 410 Cb 0.54 -1.78 0.43 0.00 -0.06 0.00 0.00 31.44 30.57 3nnk n GLU 410 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61