#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk h ILE 3 N 0.00 0.00 0.00 2.12 6.09 -2.08 -3.27 117.51 120.37 3nnk h ILE 3 Ca 0.00 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 3nnk h ILE 3 Cb 0.00 1.46 0.00 0.00 0.47 0.00 0.00 36.82 38.75 3nnk h ILE 3 CO 0.00 0.00 0.00 0.71 -3.07 0.00 0.00 178.15 175.79 3nnk h THR 4 N 0.00 0.00 -0.40 2.19 1.35 -2.10 -2.75 112.91 111.20 3nnk h THR 4 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3nnk h THR 4 Cb 0.66 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3nnk h THR 4 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3nnk n GLN 5 N -2.53 2.11 -3.20 4.72 10.64 -1.24 -4.48 117.38 123.41 3nnk n GLN 5 Ca 0.02 -1.71 -0.46 0.00 -1.83 0.00 0.00 57.00 53.03 3nnk n GLN 5 Cb 0.30 -1.41 -0.01 0.00 -0.86 0.00 0.00 30.24 28.26 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 -1.47 3.70 1.05 2.61 0.40 -1.04 -5.05 117.98 118.17 3nnk s PHE 6 Ca 0.34 -2.02 -0.17 0.00 -0.60 0.00 0.00 56.93 54.48 3nnk s PHE 6 Cb 0.18 -3.99 0.23 0.00 0.51 0.00 0.00 43.02 39.95 3nnk s PHE 6 CO 0.25 -1.14 1.22 -1.54 0.70 0.00 0.00 175.22 174.71 3nnk s SER 7 N 2.39 2.32 1.02 1.36 1.04 -1.26 -5.03 113.70 115.54 3nnk s SER 7 Ca 0.27 0.47 -0.11 0.00 0.48 0.00 0.00 55.95 57.06 3nnk s SER 7 Cb -0.08 -0.64 0.20 0.00 0.10 0.00 0.00 66.02 65.60 3nnk s SER 7 CO -0.08 -3.24 1.09 0.00 0.98 0.00 0.00 173.24 171.99 3nnk s GLN 8 N -5.65 0.23 0.07 4.02 -2.07 -1.26 -4.91 119.66 110.09 3nnk s GLN 8 Ca 0.72 1.19 -0.31 0.00 -1.82 0.00 0.00 55.36 55.14 3nnk s GLN 8 Cb -0.07 -1.66 -0.08 0.00 -1.09 0.00 0.00 33.01 30.11 3nnk s GLN 8 CO 0.54 -3.06 1.56 -1.17 -1.32 0.00 0.00 175.29 171.84 3nnk s LEU 9 N -6.83 4.36 -0.45 2.60 1.98 -1.26 -4.97 118.68 114.10 3nnk s LEU 9 Ca 0.67 2.40 0.06 0.00 -2.89 0.00 0.00 54.13 54.37 3nnk s LEU 9 Cb -0.23 -3.57 0.20 0.00 0.66 0.00 0.00 46.19 43.25 3nnk s LEU 9 CO 0.61 -0.82 0.57 -3.20 -1.89 0.00 0.00 176.35 171.62 3nnk n ASN 10 N 5.14 -1.68 -4.77 3.68 4.05 -1.26 -5.14 115.26 115.29 3nnk n ASN 10 Ca 0.14 -2.73 -0.39 0.00 0.45 0.00 0.00 54.58 52.05 3nnk n ASN 10 Cb 0.41 0.51 -0.04 0.00 1.23 0.00 0.00 39.78 41.89 3nnk n ASN 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3nnk s PRO 11 N 0.20 4.48 0.60 1.20 0.04 -1.26 -5.03 135.00 135.23 3nnk s PRO 11 Ca 0.32 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 3nnk s PRO 11 Cb 0.08 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 3nnk s PRO 11 CO -0.14 0.11 1.10 -1.25 0.04 0.00 0.00 177.00 176.85 3nnk s PRO 12 N -1.81 3.16 0.11 0.56 0.04 -1.26 -4.97 135.00 130.84 3nnk s PRO 12 Ca 0.49 1.41 -0.31 0.00 0.04 0.00 0.00 61.00 62.63 3nnk s PRO 12 Cb -0.28 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 3nnk s PRO 12 CO 0.36 -0.96 1.66 0.45 0.04 0.00 0.00 177.00 178.54 3nnk s SER 13 N -2.33 6.56 -0.03 6.66 0.15 -1.26 -5.00 113.70 118.45 3nnk s SER 13 Ca 0.68 2.58 0.01 0.00 0.70 0.00 0.00 55.95 59.92 3nnk s SER 13 Cb -0.20 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.55 3nnk s SER 13 CO 0.34 -0.89 -0.04 -0.13 1.20 0.00 0.00 173.24 173.72 3nnk s ARG 14 N 2.20 0.63 -0.47 5.44 1.81 -1.26 -4.84 118.95 122.46 3nnk s ARG 14 Ca 0.74 -0.11 -0.18 0.00 -1.72 0.00 0.00 55.73 54.46 3nnk s ARG 14 Cb -0.42 -0.65 0.05 0.00 -0.45 0.00 0.00 34.95 33.47 3nnk s ARG 14 CO 0.33 -0.02 0.52 -1.17 -0.68 0.00 0.00 175.30 174.28 3nnk s LEU 15 N 0.59 5.04 -0.62 2.53 2.96 0.94 -4.90 118.68 125.21 3nnk s LEU 15 Ca -0.07 -0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 52.73 3nnk s LEU 15 Cb -0.11 -2.39 0.08 0.00 0.50 0.00 0.00 46.19 44.27 3nnk s LEU 15 CO -0.00 -0.74 0.87 -0.76 -1.32 0.00 0.00 176.35 174.40 3nnk s LEU 16 N 2.29 4.67 -0.29 -0.68 1.43 -1.26 -1.13 118.68 123.71 3nnk s LEU 16 Ca 0.12 -1.06 0.07 0.00 -1.03 0.00 0.00 54.13 52.24 3nnk s LEU 16 Cb -0.19 -2.42 0.45 0.00 0.03 0.00 0.00 46.19 44.06 3nnk s LEU 16 CO 0.12 -1.30 1.23 0.23 0.23 0.00 0.00 176.35 176.86 3nnk n MET 17 N 7.23 3.19 0.00 1.70 2.81 0.81 -4.44 117.12 128.42 3nnk n MET 17 Ca -0.05 -3.97 0.00 0.00 -1.81 0.00 0.00 57.70 51.87 3nnk n MET 17 Cb 0.45 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 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 -0.80 2.63 0.13 3.03 0.00 -1.08 -0.64 105.19 108.46 3nnk n GLY 18 Ca 0.40 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 1.17 0.00 1.61 -0.04 -1.26 -3.25 135.00 133.23 3nnk n PRO 19 Ca 0.00 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 3nnk n PRO 19 Cb 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nnk n GLY 20 N 0.92 3.38 3.80 0.55 0.00 -1.26 -4.96 105.19 107.62 3nnk n GLY 20 Ca 0.17 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.77 3.65 0.32 1.61 0.04 -1.26 -5.13 135.00 130.45 3nnk s PRO 21 Ca 0.00 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.45 3nnk s PRO 21 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3nnk s PRO 21 CO 0.00 -0.55 0.16 0.96 0.04 0.00 0.00 177.00 177.61 3nnk s ILE 22 N -2.11 3.39 0.14 0.56 -5.25 -0.68 -4.85 121.20 112.40 3nnk s ILE 22 Ca 0.66 -1.62 -0.34 0.00 -0.99 0.00 0.00 60.65 58.36 3nnk s ILE 22 Cb -0.17 -3.06 -0.16 0.00 2.95 0.00 0.00 42.46 42.03 3nnk s ILE 22 CO 0.25 -0.23 1.25 0.59 -1.79 0.00 0.00 174.94 175.00 3nnk n ASN 23 N -1.16 1.52 -4.79 4.36 4.13 -1.26 -4.89 115.26 113.16 3nnk n ASN 23 Ca -0.04 1.13 -0.36 0.00 1.68 0.00 0.00 54.58 57.00 3nnk n ASN 23 Cb 0.60 -1.21 -0.06 0.00 -1.54 0.00 0.00 39.78 37.57 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 0.11 3.13 0.15 5.41 0.00 -1.26 -4.44 121.76 124.86 3nnk s ALA 24 Ca 0.78 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 3nnk s ALA 24 Cb -0.89 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 18.94 3nnk s ALA 24 CO 0.50 0.09 1.65 0.34 0.00 0.00 0.00 175.76 178.33 3nnk s ASP 25 N -1.79 6.53 0.41 0.00 -1.08 -0.98 -4.91 116.67 114.85 3nnk s ASP 25 Ca 0.55 2.66 0.16 0.00 -0.52 0.00 0.00 52.55 55.40 3nnk s ASP 25 Cb -0.16 -2.59 1.04 0.00 -1.46 0.00 0.00 42.92 39.76 3nnk s ASP 25 CO 0.21 -0.89 1.86 -0.65 0.52 0.00 0.00 175.17 176.22 3nnk h PRO 26 N 7.34 0.43 0.00 4.34 0.11 -1.95 0.38 132.00 142.66 3nnk h PRO 26 Ca -0.43 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3nnk h PRO 26 Cb 1.20 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3nnk h PRO 26 CO 0.93 0.29 -0.21 0.00 -0.21 0.00 0.00 178.00 178.80 3nnk h ARG 27 N 0.45 0.00 0.00 1.05 -0.00 -1.96 -1.91 114.38 112.01 3nnk h ARG 27 Ca 0.46 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.84 3nnk h ARG 27 Cb 1.07 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.05 3nnk h ARG 27 CO -0.18 0.21 -0.39 0.28 0.00 0.00 0.00 179.97 179.89 3nnk h VAL 28 N 0.00 1.51 -0.54 2.04 2.07 -1.23 -2.89 116.25 117.21 3nnk h VAL 28 Ca -0.00 -2.03 0.07 0.00 0.82 0.00 0.00 66.70 65.56 3nnk h VAL 28 Cb 0.44 2.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.90 3nnk h VAL 28 CO 0.03 0.57 0.21 -0.07 0.02 0.00 0.00 177.57 178.33 3nnk h LEU 29 N -0.38 0.23 -0.39 2.57 3.38 -1.27 -2.47 115.31 117.00 3nnk h LEU 29 Ca -0.05 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3nnk h LEU 29 Cb 1.14 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3nnk h LEU 29 CO 0.08 0.16 0.09 0.03 0.09 0.00 0.00 178.44 178.88 3nnk h ARG 30 N 0.40 0.62 -0.19 1.13 3.08 -1.45 -2.86 114.38 115.12 3nnk h ARG 30 Ca 0.26 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 60.20 3nnk h ARG 30 Cb 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3nnk h ARG 30 CO -0.25 0.66 0.13 0.00 -1.07 0.00 0.00 179.97 179.44 3nnk h ALA 31 N 0.94 2.12 0.00 0.04 0.00 -1.26 0.39 119.26 121.48 3nnk h ALA 31 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 31 Cb 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3nnk h ALA 31 CO 0.00 -0.17 -0.24 0.52 0.00 0.00 0.00 179.25 179.37 3nnk h MET 32 N 0.05 0.00 0.00 0.00 2.86 -1.21 -2.98 114.93 113.64 3nnk h MET 32 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3nnk h MET 32 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3nnk h MET 32 CO -0.01 0.24 0.00 -1.13 1.06 0.00 0.00 176.91 177.07 3nnk n SER 33 N -3.52 0.00 -4.80 1.22 3.41 0.13 -4.88 113.62 105.18 3nnk n SER 33 Ca -0.01 -0.78 -0.35 0.00 -0.26 0.00 0.00 58.87 57.48 3nnk n SER 33 Cb 0.39 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.02 6.65 0.63 4.04 0.15 -1.13 -5.03 113.70 116.99 3nnk s SER 34 Ca 0.38 1.90 -0.15 0.00 0.70 0.00 0.00 55.95 58.78 3nnk s SER 34 Cb 0.18 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 3nnk s SER 34 CO 0.30 -0.56 1.09 -1.58 1.20 0.00 0.00 173.24 173.69 3nnk s GLN 35 N -2.94 3.01 0.28 5.44 2.00 -1.26 -4.99 119.66 121.20 3nnk s GLN 35 Ca 0.62 1.33 0.06 0.00 -2.00 0.00 0.00 55.36 55.37 3nnk s GLN 35 Cb -0.16 -1.98 -0.02 0.00 0.80 0.00 0.00 33.01 31.64 3nnk s GLN 35 CO 0.21 -1.07 0.40 -0.51 -0.50 0.00 0.00 175.29 173.81 3nnk s LEU 36 N -4.69 4.15 0.45 3.68 1.43 -1.26 -5.11 118.68 117.33 3nnk s LEU 36 Ca 0.66 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 3nnk s LEU 36 Cb -0.19 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 3nnk s LEU 36 CO 0.39 -0.22 0.05 0.27 0.23 0.00 0.00 176.35 177.07 3nnk s ILE 37 N -2.07 1.10 0.76 -0.59 -0.00 -1.26 -5.15 121.20 113.99 3nnk s ILE 37 Ca 0.39 -2.00 -0.11 0.00 -0.00 0.00 0.00 60.65 58.93 3nnk s ILE 37 Cb -0.09 -2.40 0.05 0.00 -0.00 0.00 0.00 42.46 40.02 3nnk s ILE 37 CO 0.30 0.00 1.09 -0.83 -0.00 0.00 0.00 174.94 175.49 3nnk s GLY 38 N -3.73 1.67 0.25 6.27 0.00 -1.26 -4.96 107.32 105.57 3nnk s GLY 38 Ca 0.19 0.25 -0.03 0.00 0.00 0.00 0.00 44.72 45.12 3nnk s GLY 38 CO 0.10 0.59 1.82 -1.61 0.00 0.00 0.00 173.10 174.00 3nnk h GLN 39 N -1.09 0.84 -0.37 2.90 4.15 -2.01 -2.86 115.11 116.68 3nnk h GLN 39 Ca -0.44 -0.05 -0.19 0.00 0.77 0.00 0.00 58.65 58.75 3nnk h GLN 39 Cb 1.23 -0.19 -0.11 0.00 0.21 0.00 0.00 27.48 28.62 3nnk h GLN 39 CO 0.52 0.56 -0.07 0.66 -1.93 0.00 0.00 178.83 178.57 3nnk n TYR 40 N -4.70 1.13 -2.42 3.99 4.01 -1.26 -4.70 117.16 113.22 3nnk n TYR 40 Ca 0.15 -1.62 -0.40 0.00 -0.16 0.00 0.00 57.90 55.87 3nnk n TYR 40 Cb 0.29 -0.51 -0.04 0.00 -0.31 0.00 0.00 39.34 38.77 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 -2.51 7.18 0.45 7.72 -1.08 -1.08 -4.90 116.67 122.44 3nnk s ASP 41 Ca 0.45 2.32 0.23 0.00 -0.52 0.00 0.00 52.55 55.03 3nnk s ASP 41 Cb 0.41 -2.63 1.24 0.00 -1.46 0.00 0.00 42.92 40.48 3nnk s ASP 41 CO -0.00 -0.22 1.82 -0.65 0.52 0.00 0.00 175.17 176.63 3nnk h PRO 42 N 3.96 0.26 -0.34 4.34 0.11 -1.95 0.45 132.00 138.84 3nnk h PRO 42 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 3nnk h PRO 42 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3nnk h PRO 42 CO 0.68 0.17 -0.45 0.00 -0.21 0.00 0.00 178.00 178.19 3nnk h ALA 43 N 1.57 0.56 -0.71 -0.75 0.00 -1.95 -0.46 119.26 117.51 3nnk h ALA 43 Ca 0.53 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3nnk h ALA 43 Cb 1.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3nnk h ALA 43 CO -0.17 0.68 0.20 1.98 0.00 0.00 0.00 179.25 181.94 3nnk h MET 44 N 0.71 1.12 0.00 0.00 -1.53 -1.24 -1.12 114.93 112.87 3nnk h MET 44 Ca 0.04 -0.26 -0.12 0.00 -3.44 0.00 0.00 59.70 55.92 3nnk h MET 44 Cb 1.04 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.92 3nnk h MET 44 CO 0.10 0.97 -0.59 1.79 0.14 0.00 0.00 176.91 179.33 3nnk h THR 45 N 1.06 1.21 -0.40 -0.77 1.35 -1.25 -2.36 112.91 111.75 3nnk h THR 45 Ca 0.23 -2.17 -0.11 0.00 -0.55 0.00 0.00 66.41 63.81 3nnk h THR 45 Cb 0.34 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3nnk h THR 45 CO -0.00 0.57 -0.18 -0.74 -0.25 0.00 0.00 175.52 174.93 3nnk h HIS 46 N 0.00 0.94 -0.07 4.73 6.17 -0.77 -2.53 115.15 123.62 3nnk h HIS 46 Ca -0.01 -0.23 -0.14 0.00 0.71 0.00 0.00 60.37 60.70 3nnk h HIS 46 Cb 1.19 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.89 3nnk h HIS 46 CO 0.00 0.98 -0.58 1.88 0.71 0.00 0.00 177.93 180.92 3nnk h TYR 47 N 0.63 0.30 -0.29 5.26 0.99 -1.19 -1.76 116.97 120.92 3nnk h TYR 47 Ca 0.09 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 3nnk h TYR 47 Cb 0.73 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.39 3nnk h TYR 47 CO 0.06 0.76 0.17 0.52 -0.00 0.00 0.00 178.16 179.67 3nnk h MET 48 N 0.18 0.41 -0.06 4.88 2.86 -1.41 0.17 114.93 121.95 3nnk h MET 48 Ca -0.00 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3nnk h MET 48 Cb 1.08 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 3nnk h MET 48 CO 0.09 0.33 -0.31 -0.91 1.06 0.00 0.00 176.91 177.17 3nnk h ASN 49 N 0.37 0.11 -0.26 1.22 -0.26 -1.37 -2.44 115.58 112.95 3nnk h ASN 49 Ca 0.10 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.75 3nnk h ASN 49 Cb 0.04 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 3nnk h ASN 49 CO -0.02 0.42 -0.08 -0.33 -1.06 0.00 0.00 177.43 176.36 3nnk h GLU 50 N 0.10 0.52 -0.98 0.81 5.08 -1.06 -2.69 114.58 116.37 3nnk h GLU 50 Ca 0.01 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3nnk h GLU 50 Cb 0.60 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 3nnk h GLU 50 CO 0.04 0.75 0.63 0.28 -1.00 0.00 0.00 179.01 179.71 3nnk h VAL 51 N 0.27 1.06 0.20 3.13 2.07 -0.72 -0.65 116.25 121.61 3nnk h VAL 51 Ca 0.06 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3nnk h VAL 51 Cb 0.57 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3nnk h VAL 51 CO 0.03 0.20 -0.10 0.24 0.02 0.00 0.00 177.57 177.97 3nnk h MET 52 N 1.11 -0.26 -0.57 1.57 2.86 -1.40 -1.90 114.93 116.34 3nnk h MET 52 Ca 0.43 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.06 3nnk h MET 52 Cb 0.21 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3nnk h MET 52 CO -0.17 -0.12 0.24 0.00 1.06 0.00 0.00 176.91 177.91 3nnk h ALA 53 N 0.46 1.36 -0.17 6.32 0.00 -1.11 -1.70 119.26 124.42 3nnk h ALA 53 Ca -0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3nnk h ALA 53 Cb 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3nnk h ALA 53 CO 0.04 0.49 -0.41 -0.07 0.00 0.00 0.00 179.25 179.31 3nnk h LEU 54 N 0.81 0.64 -0.62 0.00 3.38 -1.08 -3.01 115.31 115.43 3nnk h LEU 54 Ca 0.20 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3nnk h LEU 54 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3nnk h LEU 54 CO -0.02 1.10 -0.13 1.88 0.09 0.00 0.00 178.44 181.36 3nnk h TYR 55 N 0.22 0.00 -0.74 1.13 0.05 -1.24 -1.46 116.97 114.92 3nnk h TYR 55 Ca -0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.82 3nnk h TYR 55 Cb 1.02 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.70 3nnk h TYR 55 CO 0.10 0.13 0.45 0.00 -1.05 0.00 0.00 178.16 177.78 3nnk h ARG 56 N 0.00 0.83 -0.33 4.88 3.08 -1.31 -0.07 114.38 121.46 3nnk h ARG 56 Ca -0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3nnk h ARG 56 Cb 0.88 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3nnk h ARG 56 CO 0.02 0.55 0.01 0.78 -1.07 0.00 0.00 179.97 180.25 3nnk h GLY 57 N 0.85 0.62 1.00 0.04 0.00 -1.20 0.17 103.07 104.56 3nnk h GLY 57 Ca 0.31 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3nnk h GLY 57 CO -0.14 0.41 -0.15 -2.08 0.00 0.00 0.00 176.54 174.58 3nnk h VAL 58 N 0.38 1.28 0.00 4.60 2.07 -1.14 -2.68 116.25 120.76 3nnk h VAL 58 Ca 0.09 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3nnk h VAL 58 Cb 0.43 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3nnk h VAL 58 CO 0.02 0.43 0.00 -0.26 0.02 0.00 0.00 177.57 177.77 3nnk h PHE 59 N 0.62 0.00 -5.17 1.57 0.04 -1.07 -3.46 116.94 109.46 3nnk h PHE 59 Ca 0.09 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.68 3nnk h PHE 59 Cb 0.70 0.00 0.15 0.00 2.20 0.00 0.00 35.95 38.99 3nnk h PHE 59 CO 0.05 0.00 -0.62 0.54 -0.60 0.00 0.00 178.31 177.68 3nnk n ARG 60 N -2.30 -1.85 -3.89 1.51 5.12 -0.78 -2.64 116.66 111.83 3nnk n ARG 60 Ca 0.03 0.89 -0.09 0.00 -1.93 0.00 0.00 57.85 56.75 3nnk n ARG 60 Cb 0.31 -5.36 -0.08 0.00 -1.16 0.00 0.00 32.46 26.16 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 -3.28 0.14 -0.81 0.55 -1.32 0.53 -2.86 115.64 108.58 3nnk s THR 61 Ca 0.33 -1.11 0.13 0.00 -1.21 0.00 0.00 61.69 59.83 3nnk s THR 61 Cb -0.04 -1.08 0.39 0.00 -1.51 0.00 0.00 72.50 70.25 3nnk s THR 61 CO 0.66 -0.61 1.32 -0.62 -2.21 0.00 0.00 174.62 173.16 3nnk n GLU 62 N 0.45 2.93 -1.69 7.08 1.02 -1.26 -4.42 120.64 124.74 3nnk n GLU 62 Ca -0.17 -2.29 -0.44 0.00 -0.02 0.00 0.00 57.16 54.24 3nnk n GLU 62 Cb 0.60 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.36 3.77 -0.18 1.62 3.02 -1.26 -4.91 115.26 117.68 3nnk n ASN 63 Ca 0.15 1.02 -0.06 0.00 -0.03 0.00 0.00 54.58 55.66 3nnk n ASN 63 Cb 0.56 -1.51 0.03 0.00 -0.61 0.00 0.00 39.78 38.25 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 7.77 0.67 -3.67 3.52 2.43 -1.96 -3.34 114.38 119.80 3nnk h ARG 64 Ca -0.46 -0.04 -0.76 0.00 -0.81 0.00 0.00 59.98 57.91 3nnk h ARG 64 Cb 1.23 -0.15 -0.18 0.00 -0.42 0.00 0.00 29.97 30.45 3nnk h ARG 64 CO 0.94 0.44 1.63 0.91 -1.51 0.00 0.00 179.97 182.38 3nnk n TRP 65 N -4.74 3.35 -4.19 2.20 7.02 -1.26 -4.91 117.44 114.91 3nnk n TRP 65 Ca 0.03 -2.92 -0.34 0.00 -1.02 0.00 0.00 57.50 53.25 3nnk n TRP 65 Cb 0.04 -1.88 -0.15 0.00 -2.42 0.00 0.00 31.31 26.90 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 0.05 2.67 0.03 -0.99 2.01 -1.26 -1.00 115.64 117.15 3nnk s THR 66 Ca 0.38 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 3nnk s THR 66 Cb 0.05 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.41 3nnk s THR 66 CO 0.02 0.50 0.06 1.15 -0.69 0.00 0.00 174.62 175.65 3nnk n MET 67 N 4.49 0.09 -4.53 4.92 0.00 -0.60 -4.35 117.12 117.14 3nnk n MET 67 Ca -0.19 -0.19 -0.32 0.00 0.00 0.00 0.00 57.70 57.00 3nnk n MET 67 Cb 0.51 0.23 -0.11 0.00 0.00 0.00 0.00 33.22 33.85 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 3.07 -0.18 3.17 1.43 -1.26 -1.00 118.68 123.90 3nnk s LEU 68 Ca 0.01 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3nnk s LEU 68 Cb -0.00 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3nnk s LEU 68 CO 0.01 0.29 0.00 -0.69 0.23 0.00 0.00 176.35 176.20 3nnk s VAL 69 N -0.95 4.14 -1.03 -1.59 1.01 -0.85 -4.97 120.40 116.16 3nnk s VAL 69 Ca 0.16 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.65 3nnk s VAL 69 Cb -0.11 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.43 3nnk s VAL 69 CO 0.06 0.45 1.65 -1.81 0.00 0.00 0.00 175.10 175.46 3nnk s ASP 70 N 0.65 6.07 0.00 3.32 1.01 -1.26 -2.17 116.67 124.29 3nnk s ASP 70 Ca -0.00 -1.36 0.00 0.00 0.71 0.00 0.00 52.55 51.90 3nnk s ASP 70 Cb -0.14 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3nnk s ASP 70 CO 0.02 -1.91 0.00 0.61 0.21 0.00 0.00 175.17 174.10 3nnk n GLY 71 N 6.64 2.07 3.43 0.21 0.00 -0.75 -5.00 105.19 111.80 3nnk n GLY 71 Ca 0.38 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 1.62 0.27 2.61 -4.23 -1.26 -2.05 115.64 110.60 3nnk s THR 72 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 3nnk s THR 72 Cb 0.00 -2.14 0.27 0.00 1.34 0.00 0.00 72.50 71.96 3nnk s THR 72 CO 0.00 0.00 1.68 0.28 -0.54 0.00 0.00 174.62 176.04 3nnk h SER 73 N -2.93 0.13 0.70 3.99 0.02 -1.80 0.15 113.55 113.80 3nnk h SER 73 Ca -0.52 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3nnk h SER 73 Cb 1.33 0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.06 3nnk h SER 73 CO 0.40 -0.04 0.00 -2.11 -1.14 0.00 0.00 176.83 173.94 3nnk n ARG 74 N -5.12 0.08 0.06 3.45 1.85 -1.26 -2.09 116.66 113.62 3nnk n ARG 74 Ca 0.18 0.10 -0.08 0.00 -1.00 0.00 0.00 57.85 57.05 3nnk n ARG 74 Cb 0.56 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.54 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 2.85 0.71 -0.12 2.89 0.00 -0.99 -1.41 119.26 123.19 3nnk h ALA 75 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 54.91 54.14 3nnk h ALA 75 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3nnk h ALA 75 CO 0.00 0.74 -0.74 0.78 0.00 0.00 0.00 179.25 180.04 3nnk h GLY 76 N 1.33 0.65 0.89 0.00 0.00 -1.41 -0.14 103.07 104.39 3nnk h GLY 76 Ca -0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.40 3nnk h GLY 76 CO 0.11 0.80 -0.30 -2.22 0.00 0.00 0.00 176.54 174.93 3nnk h ILE 77 N 0.41 0.39 -0.89 2.60 2.04 -1.50 -2.20 117.51 118.36 3nnk h ILE 77 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3nnk h ILE 77 Cb 1.33 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 3nnk h ILE 77 CO 0.14 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 178.78 3nnk h GLU 78 N -0.75 1.09 -0.19 2.37 4.81 -1.24 -1.18 114.58 119.49 3nnk h GLU 78 Ca -0.06 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3nnk h GLU 78 Cb 0.61 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3nnk h GLU 78 CO 0.07 0.72 0.04 0.00 -0.73 0.00 0.00 179.01 179.11 3nnk h ALA 79 N 1.36 0.20 -0.54 2.92 0.00 -0.95 0.27 119.26 122.52 3nnk h ALA 79 Ca 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3nnk h ALA 79 Cb -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3nnk h ALA 79 CO -0.12 -0.39 0.18 0.82 0.00 0.00 0.00 179.25 179.75 3nnk h ILE 80 N 0.12 1.23 0.05 0.00 2.04 -1.00 -1.67 117.51 118.28 3nnk h ILE 80 Ca 0.09 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 3nnk h ILE 80 Cb 0.08 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3nnk h ILE 80 CO -0.11 0.29 -0.02 -0.07 0.00 0.00 0.00 178.15 178.23 3nnk h LEU 81 N 0.75 -0.05 -1.66 1.44 3.38 -0.99 -1.41 115.31 116.77 3nnk h LEU 81 Ca 0.18 -0.45 0.12 0.00 0.09 0.00 0.00 57.88 57.82 3nnk h LEU 81 Cb 0.26 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3nnk h LEU 81 CO -0.01 0.43 0.43 0.58 0.09 0.00 0.00 178.44 179.96 3nnk h VAL 82 N -0.55 0.84 0.08 1.22 2.07 -0.49 0.12 116.25 119.54 3nnk h VAL 82 Ca -0.01 -0.12 -0.25 0.00 0.82 0.00 0.00 66.70 67.14 3nnk h VAL 82 Cb 0.49 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3nnk h VAL 82 CO 0.01 0.07 -1.12 0.28 0.02 0.00 0.00 177.57 176.82 3nnk h SER 83 N 0.36 0.32 0.24 0.57 0.02 -1.20 -3.36 113.55 110.49 3nnk h SER 83 Ca 0.30 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3nnk h SER 83 Cb 0.69 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3nnk h SER 83 CO -0.08 1.23 -1.15 0.00 -1.14 0.00 0.00 176.83 175.69 3nnk n ALA 84 N -2.49 3.73 -3.05 3.77 0.00 -0.54 -4.69 120.51 117.25 3nnk n ALA 84 Ca -0.06 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.52 3nnk n ALA 84 Cb 0.96 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 19.41 3nnk n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nnk s ILE 85 N -3.18 4.20 0.34 0.00 1.01 -0.02 -5.04 121.20 118.51 3nnk s ILE 85 Ca 0.03 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 3nnk s ILE 85 Cb 0.15 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.31 3nnk s ILE 85 CO 0.83 -0.01 0.89 -0.13 0.00 0.00 0.00 174.94 176.53 3nnk s ARG 86 N 1.53 4.37 0.19 2.79 3.00 -1.26 -4.83 118.95 124.72 3nnk s ARG 86 Ca 0.02 1.12 -0.33 0.00 0.00 0.00 0.00 55.73 56.55 3nnk s ARG 86 Cb -0.18 -2.60 -0.14 0.00 0.00 0.00 0.00 34.95 32.03 3nnk s ARG 86 CO 0.04 0.20 1.41 -2.30 0.00 0.00 0.00 175.30 174.65 3nnk n PRO 87 N 0.14 1.82 0.00 3.54 -0.02 -1.26 -1.50 135.00 137.72 3nnk n PRO 87 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3nnk n PRO 87 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3nnk n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nnk n GLY 88 N 2.56 2.96 3.72 -1.23 0.00 0.74 -4.99 105.19 108.95 3nnk n GLY 88 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 2.56 -4.81 1.61 8.00 -0.56 -4.26 116.55 119.09 3nnk n ASP 89 Ca 0.00 1.02 -0.38 0.00 0.71 0.00 0.00 54.79 56.13 3nnk n ASP 89 Cb 0.00 -1.54 -0.06 0.00 -0.02 0.00 0.00 41.12 39.50 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 -2.63 4.24 -0.00 -1.24 1.02 -1.26 -0.54 119.74 119.33 3nnk s LYS 90 Ca 0.68 0.79 0.00 0.00 0.02 0.00 0.00 55.97 57.46 3nnk s LYS 90 Cb -0.45 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 3nnk s LYS 90 CO 0.52 0.61 0.01 0.08 -0.92 0.00 0.00 175.35 175.65 3nnk s VAL 91 N -1.16 -0.01 -0.20 3.17 1.01 -0.79 -1.15 120.40 121.26 3nnk s VAL 91 Ca 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 3nnk s VAL 91 Cb -0.20 -0.02 0.02 0.00 0.00 0.00 0.00 36.38 36.18 3nnk s VAL 91 CO 0.20 0.02 -0.14 -0.22 0.00 0.00 0.00 175.10 174.96 3nnk s LEU 92 N 0.22 2.51 -0.27 3.92 2.96 -0.62 -0.52 118.68 126.88 3nnk s LEU 92 Ca -0.02 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.23 3nnk s LEU 92 Cb -0.03 -1.57 0.04 0.00 0.50 0.00 0.00 46.19 45.14 3nnk s LEU 92 CO -0.01 -0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.26 3nnk s VAL 93 N 1.33 2.83 -0.54 1.68 1.01 0.24 -1.13 120.40 125.83 3nnk s VAL 93 Ca 0.04 -1.28 -0.28 0.00 0.00 0.00 0.00 61.98 60.46 3nnk s VAL 93 Cb -0.14 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3nnk s VAL 93 CO -0.09 0.03 1.35 -2.84 0.00 0.00 0.00 175.10 173.54 3nnk s PRO 94 N 1.26 3.41 -0.37 2.72 0.02 -1.26 -1.64 135.00 139.15 3nnk s PRO 94 Ca -0.04 0.47 -0.19 0.00 0.02 0.00 0.00 61.00 61.27 3nnk s PRO 94 Cb -0.19 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.26 3nnk s PRO 94 CO -0.03 -1.80 0.54 0.08 -0.33 0.00 0.00 177.00 175.46 3nnk s VAL 95 N 5.64 4.98 0.00 3.83 1.01 0.15 -4.66 120.40 131.35 3nnk s VAL 95 Ca 0.51 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3nnk s VAL 95 Cb -0.10 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3nnk s VAL 95 CO 0.26 -0.29 0.83 2.22 0.00 0.00 0.00 175.10 178.12 3nnk n PHE 96 N 5.85 0.00 -3.20 5.22 1.16 -1.26 -3.03 117.46 122.19 3nnk n PHE 96 Ca -0.04 -0.33 0.00 0.00 -1.87 0.00 0.00 57.45 55.21 3nnk n PHE 96 Cb 0.49 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 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 -0.33 1.44 0.36 4.97 0.00 -1.26 -4.60 105.19 105.76 3nnk n GLY 97 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 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 1.18 0.00 1.61 1.12 -1.95 -2.72 114.38 113.62 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 -0.27 0.00 0.00 -0.01 0.00 0.00 29.97 29.69 3nnk h ARG 98 CO 0.00 0.78 0.00 0.74 -3.11 0.00 0.00 179.97 178.38 3nnk h PHE 99 N 1.22 0.00 -0.64 2.20 0.04 -1.97 -1.44 116.94 116.35 3nnk h PHE 99 Ca 0.37 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.07 3nnk h PHE 99 Cb -0.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3nnk h PHE 99 CO -0.01 0.00 0.15 0.78 -0.60 0.00 0.00 178.31 178.63 3nnk h GLY 100 N 3.11 1.11 2.00 -1.45 0.00 -1.81 -2.53 103.07 103.49 3nnk h GLY 100 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 3nnk h GLY 100 CO 0.00 0.65 -0.24 0.45 0.00 0.00 0.00 176.54 177.40 3nnk h HIS 101 N 0.95 0.00 -0.19 5.60 3.86 -1.27 -2.57 115.15 121.53 3nnk h HIS 101 Ca 0.20 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 3nnk h HIS 101 Cb 0.37 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 3nnk h HIS 101 CO 0.03 0.24 -0.14 1.25 0.86 0.00 0.00 177.93 180.18 3nnk h LEU 102 N 0.00 0.44 -1.66 2.43 5.85 -1.24 -2.62 115.31 118.52 3nnk h LEU 102 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3nnk h LEU 102 Cb 0.68 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3nnk h LEU 102 CO 0.03 0.80 0.11 -0.07 -0.34 0.00 0.00 178.44 178.97 3nnk h LEU 103 N 0.09 0.29 -0.64 2.25 3.38 -1.28 -1.36 115.31 118.04 3nnk h LEU 103 Ca 0.04 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3nnk h LEU 103 Cb 0.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3nnk h LEU 103 CO 0.04 0.26 -0.21 0.00 0.09 0.00 0.00 178.44 178.61 3nnk h GLU 105 N 0.73 0.50 -0.60 0.00 4.39 -0.95 -1.56 114.58 117.10 3nnk h GLU 105 Ca 0.10 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 3nnk h GLU 105 Cb 0.74 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 3nnk h GLU 105 CO 0.06 1.02 0.19 0.82 -1.16 0.00 0.00 179.01 179.93 3nnk h ILE 106 N 0.09 1.24 -0.33 3.13 2.04 -1.37 -1.92 117.51 120.41 3nnk h ILE 106 Ca -0.03 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 3nnk h ILE 106 Cb 1.09 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3nnk h ILE 106 CO 0.09 0.31 -0.01 0.00 0.00 0.00 0.00 178.15 178.54 3nnk h ALA 107 N 1.06 1.38 -0.57 1.87 0.00 -1.49 -2.19 119.26 119.31 3nnk h ALA 107 Ca 0.19 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3nnk h ALA 107 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3nnk h ALA 107 CO -0.01 0.43 -0.03 -0.09 0.00 0.00 0.00 179.25 179.55 3nnk h ARG 108 N 0.48 1.03 -0.10 0.00 2.43 -0.89 -1.79 114.38 115.54 3nnk h ARG 108 Ca 0.10 -0.35 -0.07 0.00 -0.81 0.00 0.00 59.98 58.85 3nnk h ARG 108 Cb 0.33 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3nnk h ARG 108 CO 0.01 1.04 -0.27 0.00 -1.51 0.00 0.00 179.97 179.24 3nnk h ARG 109 N 0.92 0.19 0.00 0.20 2.47 -1.07 -0.91 114.38 116.17 3nnk h ARG 109 Ca 0.16 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3nnk h ARG 109 Cb 0.59 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 3nnk h ARG 109 CO 0.04 0.45 0.00 0.00 0.56 0.00 0.00 179.97 181.02 3nnk n ARG 111 N -1.15 -6.19 -3.48 0.00 1.74 -0.35 -4.16 116.66 103.07 3nnk n ARG 111 Ca 0.13 0.69 -0.29 0.00 -0.77 0.00 0.00 57.85 57.61 3nnk n ARG 111 Cb 0.12 -5.29 -0.03 0.00 -1.02 0.00 0.00 32.46 26.23 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 -3.28 3.70 -0.59 7.54 0.00 -0.69 -0.19 121.76 128.25 3nnk s ALA 112 Ca 0.31 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 3nnk s ALA 112 Cb -0.14 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.82 3nnk s ALA 112 CO 0.60 0.35 1.18 -2.00 0.00 0.00 0.00 175.76 175.90 3nnk s GLU 113 N -3.36 3.47 -0.39 0.00 2.12 0.30 -4.68 118.70 116.16 3nnk s GLU 113 Ca 0.42 0.17 -0.21 0.00 0.36 0.00 0.00 54.97 55.71 3nnk s GLU 113 Cb -0.11 -4.03 0.01 0.00 0.26 0.00 0.00 34.13 30.26 3nnk s GLU 113 CO 0.29 -1.71 0.67 0.08 -0.54 0.00 0.00 175.26 174.05 3nnk s VAL 114 N 4.94 4.83 -0.13 3.70 1.01 -1.26 -1.89 120.40 131.60 3nnk s VAL 114 Ca 0.41 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 3nnk s VAL 114 Cb -0.08 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3nnk s VAL 114 CO 0.24 -0.44 -0.01 -1.00 0.00 0.00 0.00 175.10 173.89 3nnk s HIS 115 N 2.83 3.11 0.25 5.22 3.76 0.33 -5.00 115.29 125.79 3nnk s HIS 115 Ca 0.25 -0.05 0.09 0.00 -0.15 0.00 0.00 55.06 55.20 3nnk s HIS 115 Cb -0.14 -1.91 -0.05 0.00 1.11 0.00 0.00 32.58 31.59 3nnk s HIS 115 CO 0.17 0.18 -0.16 0.95 -0.85 0.00 0.00 174.74 175.04 3nnk s THR 116 N -0.11 2.04 0.03 1.30 -4.23 -1.26 -0.59 115.64 112.82 3nnk s THR 116 Ca 0.04 -2.28 0.02 0.00 -1.18 0.00 0.00 61.69 58.29 3nnk s THR 116 Cb -0.13 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 3nnk s THR 116 CO 0.02 -0.48 -0.07 0.27 -0.54 0.00 0.00 174.62 173.82 3nnk s ILE 117 N -2.78 0.50 0.04 2.99 -4.36 -0.65 -4.91 121.20 112.04 3nnk s ILE 117 Ca 0.26 -0.86 0.05 0.00 -0.26 0.00 0.00 60.65 59.84 3nnk s ILE 117 Cb -0.02 -0.54 -0.02 0.00 1.25 0.00 0.00 42.46 43.13 3nnk s ILE 117 CO 0.11 -0.26 -0.15 -1.61 0.24 0.00 0.00 174.94 173.27 3nnk s GLU 118 N -1.21 0.98 0.24 0.37 2.02 -1.26 0.30 118.70 120.13 3nnk s GLU 118 Ca -0.07 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.17 3nnk s GLU 118 Cb -0.08 -1.01 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 3nnk s GLU 118 CO 0.00 0.25 -0.08 0.14 0.02 0.00 0.00 175.26 175.59 3nnk s VAL 119 N -0.90 1.51 0.72 2.63 -7.23 -1.17 -5.00 120.40 110.95 3nnk s VAL 119 Ca 0.02 -2.13 -0.12 0.00 -1.81 0.00 0.00 61.98 57.95 3nnk s VAL 119 Cb -0.08 -2.26 0.03 0.00 0.56 0.00 0.00 36.38 34.62 3nnk s VAL 119 CO 0.01 -0.43 1.08 -2.16 -0.31 0.00 0.00 175.10 173.30 3nnk s PRO 120 N -3.73 2.63 0.02 4.82 0.04 -1.26 -4.72 135.00 132.80 3nnk s PRO 120 Ca 0.26 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 3nnk s PRO 120 Cb 0.03 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3nnk s PRO 120 CO 0.09 -1.35 1.05 -1.58 0.04 0.00 0.00 177.00 175.25 3nnk s TRP 121 N -2.81 3.59 -0.66 0.56 0.52 -1.26 0.28 118.94 119.15 3nnk s TRP 121 Ca 0.61 1.56 0.02 0.00 0.02 0.00 0.00 56.10 58.32 3nnk s TRP 121 Cb -0.17 -3.22 0.16 0.00 -1.15 0.00 0.00 33.47 29.09 3nnk s TRP 121 CO 0.52 -0.44 0.46 0.20 0.02 0.00 0.00 176.95 177.70 3nnk s GLY 122 N 1.02 2.74 0.59 0.98 0.00 -1.26 -4.95 107.32 106.43 3nnk s GLY 122 Ca 0.54 -3.57 0.09 0.00 0.00 0.00 0.00 44.72 41.78 3nnk s GLY 122 CO 0.28 1.08 0.73 -0.54 0.00 0.00 0.00 173.10 174.65 3nnk s GLU 123 N -0.85 2.24 0.26 2.90 2.02 0.14 -2.56 118.70 122.85 3nnk s GLU 123 Ca 0.21 -1.78 0.04 0.00 0.02 0.00 0.00 54.97 53.46 3nnk s GLU 123 Cb -0.14 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.52 3nnk s GLU 123 CO -0.08 -0.88 0.02 0.54 0.02 0.00 0.00 175.26 174.88 3nnk s VAL 124 N -2.73 1.05 0.08 2.63 0.11 -1.26 -4.89 120.40 115.39 3nnk s VAL 124 Ca 0.56 -2.03 -0.13 0.00 -2.93 0.00 0.00 61.98 57.45 3nnk s VAL 124 Cb -0.05 -2.48 -0.06 0.00 -1.53 0.00 0.00 36.38 32.26 3nnk s VAL 124 CO 0.35 -0.22 0.45 -0.36 -3.33 0.00 0.00 175.10 171.99 3nnk s PHE 125 N -3.41 3.64 0.20 1.54 0.08 -1.26 -5.00 117.98 113.77 3nnk s PHE 125 Ca 0.31 0.93 -0.16 0.00 0.12 0.00 0.00 56.93 58.13 3nnk s PHE 125 Cb 0.06 -2.26 -0.08 0.00 -0.57 0.00 0.00 43.02 40.18 3nnk s PHE 125 CO 0.11 0.53 0.63 0.99 -0.10 0.00 0.00 175.22 177.38 3nnk s THR 126 N -1.32 4.74 0.30 0.64 2.01 -1.26 -4.72 115.64 116.03 3nnk s THR 126 Ca 0.32 0.99 0.05 0.00 0.31 0.00 0.00 61.69 63.35 3nnk s THR 126 Cb -0.15 -3.76 0.29 0.00 0.01 0.00 0.00 72.50 68.89 3nnk s THR 126 CO 0.17 0.17 1.76 -0.65 -0.69 0.00 0.00 174.62 175.38 3nnk h PRO 127 N 3.31 0.66 -0.97 4.92 0.11 -1.96 -1.16 132.00 136.91 3nnk h PRO 127 Ca -0.48 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.63 3nnk h PRO 127 Cb 1.19 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 3nnk h PRO 127 CO 0.66 0.44 0.64 -0.44 -0.21 0.00 0.00 178.00 179.08 3nnk h ASP 128 N 0.68 1.04 -0.20 -2.05 5.19 -1.98 -1.65 116.42 117.45 3nnk h ASP 128 Ca 0.56 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.97 3nnk h ASP 128 Cb 0.91 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 3nnk h ASP 128 CO -0.40 0.70 0.11 1.56 -3.12 0.00 0.00 179.24 178.09 3nnk h GLN 129 N 1.20 0.27 -0.15 3.56 4.20 -1.61 0.02 115.11 122.60 3nnk h GLN 129 Ca 0.40 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.97 3nnk h GLN 129 Cb 0.05 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3nnk h GLN 129 CO -0.13 0.24 -0.39 -0.39 -0.67 0.00 0.00 178.83 177.49 3nnk h VAL 130 N 0.23 1.30 -0.41 -0.54 -1.51 -1.36 -2.81 116.25 111.15 3nnk h VAL 130 Ca 0.07 -1.50 -0.06 0.00 -1.23 0.00 0.00 66.70 63.98 3nnk h VAL 130 Cb 0.04 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 3nnk h VAL 130 CO -0.01 0.46 0.02 -0.08 -1.23 0.00 0.00 177.57 176.72 3nnk h GLU 131 N 0.28 0.72 -0.16 5.19 4.81 -0.98 0.05 114.58 124.48 3nnk h GLU 131 Ca 0.03 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3nnk h GLU 131 Cb 0.82 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.07 3nnk h GLU 131 CO 0.07 0.79 -0.24 -0.44 -0.73 0.00 0.00 179.01 178.46 3nnk h ASP 132 N 0.56 -0.74 -0.17 1.04 3.45 -0.93 -2.34 116.42 117.29 3nnk h ASP 132 Ca 0.12 0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.70 3nnk h ASP 132 Cb 0.45 0.34 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 3nnk h ASP 132 CO 0.02 -0.28 0.08 0.00 -1.57 0.00 0.00 179.24 177.48 3nnk h ALA 133 N 0.69 0.21 -0.73 3.45 0.00 -1.32 -2.25 119.26 119.31 3nnk h ALA 133 Ca 0.11 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3nnk h ALA 133 Cb 0.45 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 3nnk h ALA 133 CO -0.33 -0.23 0.33 0.28 0.00 0.00 0.00 179.25 179.31 3nnk h VAL 134 N 0.14 0.77 -0.30 0.00 2.07 -0.90 -0.96 116.25 117.07 3nnk h VAL 134 Ca 0.06 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3nnk h VAL 134 Cb 0.12 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3nnk h VAL 134 CO -0.01 0.10 0.17 0.11 0.02 0.00 0.00 177.57 177.96 3nnk h LYS 135 N 0.54 0.42 0.50 1.57 1.57 -1.29 -0.96 116.57 118.92 3nnk h LYS 135 Ca 0.37 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 3nnk h LYS 135 Cb 0.47 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3nnk h LYS 135 CO -0.32 0.35 -0.38 0.00 -0.57 0.00 0.00 179.45 178.53 3nnk h ARG 136 N 0.37 -0.84 0.00 3.15 3.08 -0.68 -3.34 114.38 116.13 3nnk h ARG 136 Ca 0.11 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3nnk h ARG 136 Cb 0.05 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3nnk h ARG 136 CO -0.02 -0.56 -1.04 0.44 -1.07 0.00 0.00 179.97 177.72 3nnk n ILE 137 N -5.50 0.03 -3.68 2.04 -0.00 -0.46 -5.02 119.36 106.77 3nnk n ILE 137 Ca -0.12 -0.10 -0.25 0.00 -0.00 0.00 0.00 62.75 62.29 3nnk n ILE 137 Cb 0.40 0.63 0.01 0.00 -0.00 0.00 0.00 39.64 40.67 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 -1.67 -1.25 -2.47 6.28 3.00 -0.37 -4.95 116.66 115.24 3nnk n ARG 138 Ca 0.03 0.74 -0.27 0.00 -0.01 0.00 0.00 57.85 58.34 3nnk n ARG 138 Cb 0.38 -3.31 0.02 0.00 0.00 0.00 0.00 32.46 29.55 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 -5.14 3.20 0.03 5.56 0.04 -1.26 -4.93 135.00 132.50 3nnk s PRO 139 Ca 0.16 0.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.16 3nnk s PRO 139 Cb -0.07 -2.30 -0.36 0.00 0.04 0.00 0.00 34.50 31.81 3nnk s PRO 139 CO 0.87 -0.50 0.99 -0.09 0.04 0.00 0.00 177.00 178.32 3nnk h ARG 140 N -0.02 0.53 -6.13 4.56 2.43 -1.48 -3.42 114.38 110.85 3nnk h ARG 140 Ca -0.46 -0.91 -0.62 0.00 -0.81 0.00 0.00 59.98 57.18 3nnk h ARG 140 Cb 1.23 0.34 -0.29 0.00 -0.42 0.00 0.00 29.97 30.83 3nnk h ARG 140 CO 0.61 1.44 -0.86 -0.51 -1.51 0.00 0.00 179.97 179.14 3nnk s LEU 141 N -7.57 2.06 -0.33 3.80 2.01 -1.19 -0.76 118.68 116.69 3nnk s LEU 141 Ca -0.09 -0.41 -0.10 0.00 0.01 0.00 0.00 54.13 53.55 3nnk s LEU 141 Cb 0.04 -1.10 0.01 0.00 0.01 0.00 0.00 46.19 45.15 3nnk s LEU 141 CO 0.94 0.26 0.17 -0.22 1.01 0.00 0.00 176.35 178.51 3nnk s LEU 142 N -0.58 4.32 -0.37 1.79 2.96 0.12 -1.59 118.68 125.32 3nnk s LEU 142 Ca 0.08 -0.72 -0.07 0.00 -0.22 0.00 0.00 54.13 53.21 3nnk s LEU 142 Cb -0.08 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.67 3nnk s LEU 142 CO -0.01 -0.27 0.17 -0.76 -1.32 0.00 0.00 176.35 174.17 3nnk s LEU 143 N 1.58 4.72 0.23 -0.68 1.43 -0.28 -0.98 118.68 124.70 3nnk s LEU 143 Ca 0.03 -1.41 0.11 0.00 -1.03 0.00 0.00 54.13 51.83 3nnk s LEU 143 Cb -0.18 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 3nnk s LEU 143 CO 0.06 -0.43 -0.15 0.42 0.23 0.00 0.00 176.35 176.48 3nnk s THR 144 N 1.36 2.79 -0.13 5.49 -4.23 -0.47 -3.98 115.64 116.47 3nnk s THR 144 Ca 0.01 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.42 3nnk s THR 144 Cb -0.21 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 3nnk s THR 144 CO 0.01 -0.24 0.12 -0.69 -0.54 0.00 0.00 174.62 173.28 3nnk s VAL 145 N -2.04 5.38 -0.04 2.29 1.01 -1.26 -0.78 120.40 124.96 3nnk s VAL 145 Ca 0.26 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 3nnk s VAL 145 Cb -0.07 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 3nnk s VAL 145 CO 0.14 0.59 -0.03 -0.61 0.00 0.00 0.00 175.10 175.20 3nnk h GLN 146 N 5.23 0.00 -4.74 2.72 4.15 -1.69 -3.41 115.11 117.36 3nnk h GLN 146 Ca -0.53 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.21 3nnk h GLN 146 Cb 1.22 0.00 -0.23 0.00 0.21 0.00 0.00 27.48 28.67 3nnk h GLN 146 CO 0.60 0.00 -0.55 0.20 -1.93 0.00 0.00 178.83 177.15 3nnk s GLY 147 N -2.76 1.88 -0.42 2.39 0.00 -1.26 -0.12 107.32 107.03 3nnk s GLY 147 Ca -0.02 -1.47 -0.12 0.00 0.00 0.00 0.00 44.72 43.11 3nnk s GLY 147 CO 0.03 0.73 0.29 -0.35 0.00 0.00 0.00 173.10 173.80 3nnk s ASP 148 N 1.59 5.89 0.48 1.64 -1.08 -0.59 -4.51 116.67 120.10 3nnk s ASP 148 Ca 0.04 -1.20 0.18 0.00 -0.52 0.00 0.00 52.55 51.05 3nnk s ASP 148 Cb -0.18 -2.08 1.19 0.00 -1.46 0.00 0.00 42.92 40.40 3nnk s ASP 148 CO 0.06 -0.51 2.06 0.71 0.52 0.00 0.00 175.17 178.01 3nnk h THR 149 N 5.85 0.97 0.00 1.71 1.35 -1.94 -0.62 112.91 120.23 3nnk h THR 149 Ca -0.26 -0.44 -0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3nnk h THR 149 Cb 1.10 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3nnk h THR 149 CO 0.76 0.12 -0.02 0.77 -0.25 0.00 0.00 175.52 176.90 3nnk h SER 150 N 0.00 0.00 -0.00 5.36 4.64 -1.96 -2.90 113.55 118.68 3nnk h SER 150 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nnk h SER 150 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3nnk h SER 150 CO 0.02 0.02 -0.01 0.35 -0.87 0.00 0.00 176.83 176.34 3nnk n THR 151 N -3.71 0.00 -1.33 2.95 -2.24 -0.94 -4.94 114.28 104.08 3nnk n THR 151 Ca -0.03 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 3nnk n THR 151 Cb 0.11 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.99 0.00 -3.76 4.28 -2.24 -0.28 -4.80 114.28 106.47 3nnk n THR 152 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3nnk n THR 152 Cb 0.00 -1.36 -0.06 0.00 -2.10 0.00 0.00 70.33 66.82 3nnk n THR 152 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 153 N -2.81 3.58 -0.30 -0.78 -1.94 -1.11 -1.43 119.30 114.51 3nnk s MET 153 Ca 0.00 -0.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.96 3nnk s MET 153 Cb 0.00 -3.13 0.07 0.00 2.01 0.00 0.00 34.83 33.77 3nnk s MET 153 CO 0.00 0.69 -0.02 -1.17 -0.01 0.00 0.00 175.02 174.51 3nnk s LEU 154 N -1.45 3.95 -0.02 -0.03 1.98 -0.04 -1.55 118.68 121.52 3nnk s LEU 154 Ca 0.23 -1.51 -0.30 0.00 -2.89 0.00 0.00 54.13 49.67 3nnk s LEU 154 Cb -0.13 -1.65 -0.05 0.00 0.66 0.00 0.00 46.19 45.02 3nnk s LEU 154 CO 0.12 -0.27 1.32 -1.58 -1.89 0.00 0.00 176.35 174.05 3nnk s GLN 155 N 1.14 4.31 0.12 1.98 2.00 0.82 -4.86 119.66 125.18 3nnk s GLN 155 Ca -0.03 1.85 -0.31 0.00 -2.00 0.00 0.00 55.36 54.86 3nnk s GLN 155 Cb -0.20 -3.57 -0.10 0.00 0.80 0.00 0.00 33.01 29.95 3nnk s GLN 155 CO -0.04 -0.52 1.67 -2.14 -0.50 0.00 0.00 175.29 173.76 3nnk s PRO 156 N 2.32 4.18 0.00 1.67 0.02 -1.26 -4.83 135.00 137.11 3nnk s PRO 156 Ca 0.61 2.42 0.02 0.00 0.02 0.00 0.00 61.00 64.07 3nnk s PRO 156 Cb -0.29 -3.41 -0.01 0.00 0.02 0.00 0.00 34.50 30.82 3nnk s PRO 156 CO 0.25 -0.72 0.29 1.28 -0.33 0.00 0.00 177.00 177.76 3nnk n LEU 157 N 4.96 0.54 -0.17 -5.54 4.32 -1.26 -4.71 117.00 115.14 3nnk n LEU 157 Ca 0.16 -0.70 -0.02 0.00 -0.02 0.00 0.00 56.01 55.43 3nnk n LEU 157 Cb 0.39 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 42.38 3nnk n LEU 157 CO 0.63 0.13 1.05 0.00 -1.22 0.00 0.00 177.39 177.97 3nnk h ALA 158 N 0.39 1.26 0.00 -1.18 0.00 -1.92 -3.08 119.26 114.73 3nnk h ALA 158 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3nnk h ALA 158 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3nnk h ALA 158 CO 0.00 0.54 -1.08 0.39 0.00 0.00 0.00 179.25 179.11 3nnk n GLU 159 N -4.31 0.46 0.24 0.00 1.02 -1.26 -4.20 120.64 112.58 3nnk n GLU 159 Ca 0.05 0.03 0.15 0.00 -0.02 0.00 0.00 57.16 57.38 3nnk n GLU 159 Cb 0.18 -1.69 0.51 0.00 -0.02 0.00 0.00 31.44 30.42 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 -0.32 -4.62 4.07 -1.82 -3.25 115.31 109.37 3nnk h LEU 160 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 3nnk h LEU 160 Cb 0.87 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.60 3nnk h LEU 160 CO 0.00 0.00 -0.34 1.23 -1.08 0.00 0.00 178.44 178.25 3nnk h GLY 161 N 2.72 0.87 1.39 0.83 0.00 -1.65 -2.72 103.07 104.51 3nnk h GLY 161 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 47.33 46.31 3nnk h GLY 161 CO 0.00 0.81 -0.29 0.83 0.00 0.00 0.00 176.54 177.90 3nnk h GLU 162 N 0.57 0.69 0.22 4.80 4.39 -1.82 -3.03 114.58 120.40 3nnk h GLU 162 Ca 0.05 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 3nnk h GLU 162 Cb 0.92 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3nnk h GLU 162 CO 0.08 0.90 -0.11 0.82 -1.16 0.00 0.00 179.01 179.55 3nnk h ILE 163 N 0.60 0.81 -0.84 3.13 2.04 -1.62 -2.95 117.51 118.67 3nnk h ILE 163 Ca 0.07 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.91 3nnk h ILE 163 Cb 0.79 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3nnk h ILE 163 CO 0.06 0.03 0.55 0.00 0.00 0.00 0.00 178.15 178.80 3nnk h ARG 165 N 0.69 0.55 0.00 0.00 2.43 -1.46 0.14 114.38 116.72 3nnk h ARG 165 Ca 0.41 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3nnk h ARG 165 Cb 0.62 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3nnk h ARG 165 CO -0.17 1.01 -0.10 0.00 -1.51 0.00 0.00 179.97 179.20 3nnk h ARG 166 N 0.40 0.00 -0.14 0.20 3.08 -1.28 -3.05 114.38 113.59 3nnk h ARG 166 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3nnk h ARG 166 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3nnk h ARG 166 CO 0.12 0.10 0.00 0.66 -1.07 0.00 0.00 179.97 179.77 3nnk n TYR 167 N -4.05 0.18 -3.48 3.04 4.01 -1.17 -5.00 117.16 110.69 3nnk n TYR 167 Ca -0.02 -0.30 -0.18 0.00 -0.16 0.00 0.00 57.90 57.23 3nnk n TYR 167 Cb 0.18 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.26 -2.07 -4.64 7.72 4.64 -0.81 -4.99 116.55 116.67 3nnk n ASP 168 Ca 0.06 -0.65 -0.34 0.00 -1.38 0.00 0.00 54.79 52.48 3nnk n ASP 168 Cb 0.29 -4.94 -0.10 0.00 -1.04 0.00 0.00 41.12 35.33 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 -3.41 3.16 -0.02 -1.67 0.00 0.42 -4.88 121.76 115.36 3nnk s ALA 169 Ca 0.03 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 3nnk s ALA 169 Cb -0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 3nnk s ALA 169 CO 0.74 0.57 0.95 -0.51 0.00 0.00 0.00 175.76 177.52 3nnk s LEU 170 N -0.81 4.35 -0.37 0.00 1.43 0.06 -4.45 118.68 118.89 3nnk s LEU 170 Ca 0.12 1.60 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 3nnk s LEU 170 Cb -0.11 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.59 3nnk s LEU 170 CO 0.02 -0.26 0.25 0.12 0.23 0.00 0.00 176.35 176.71 3nnk s PHE 171 N 1.09 3.23 0.05 0.29 5.36 -1.26 0.13 117.98 126.87 3nnk s PHE 171 Ca 0.50 -0.49 0.09 0.00 -0.96 0.00 0.00 56.93 56.07 3nnk s PHE 171 Cb -0.20 -2.51 -0.03 0.00 -0.34 0.00 0.00 43.02 39.94 3nnk s PHE 171 CO 0.26 -0.50 -0.26 -0.47 -1.46 0.00 0.00 175.22 172.79 3nnk s TYR 172 N 1.67 2.33 0.03 10.12 6.14 -0.15 -0.52 117.35 136.97 3nnk s TYR 172 Ca 0.05 -0.40 0.01 0.00 0.64 0.00 0.00 57.07 57.37 3nnk s TYR 172 Cb -0.18 -1.38 -0.02 0.00 0.42 0.00 0.00 41.96 40.80 3nnk s TYR 172 CO 0.09 0.15 -0.05 -0.08 0.64 0.00 0.00 175.55 176.30 3nnk s THR 173 N -0.84 0.33 -0.41 4.34 -1.32 -0.87 -1.37 115.64 115.50 3nnk s THR 173 Ca 0.12 -0.99 -0.16 0.00 -1.21 0.00 0.00 61.69 59.45 3nnk s THR 173 Cb -0.10 -0.44 0.02 0.00 -1.51 0.00 0.00 72.50 70.47 3nnk s THR 173 CO 0.03 -0.44 0.38 -0.62 -2.21 0.00 0.00 174.62 171.76 3nnk s ASP 174 N -1.51 6.16 -0.21 8.08 2.15 0.04 -2.90 116.67 128.48 3nnk s ASP 174 Ca -0.13 -0.72 0.13 0.00 0.43 0.00 0.00 52.55 52.26 3nnk s ASP 174 Cb -0.10 -2.20 0.44 0.00 -0.30 0.00 0.00 42.92 40.76 3nnk s ASP 174 CO -0.00 -0.51 1.33 0.00 -0.17 0.00 0.00 175.17 175.81 3nnk n ALA 175 N 5.43 3.46 -0.31 3.66 0.00 -0.03 -1.86 120.51 130.86 3nnk n ALA 175 Ca -0.09 -2.92 -0.05 0.00 0.00 0.00 0.00 53.44 50.38 3nnk n ALA 175 Cb 0.47 -0.56 0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 0.93 1.26 0.00 0.00 1.35 -1.86 -0.50 112.91 114.09 3nnk h THR 176 Ca 0.08 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3nnk h THR 176 Cb 1.31 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3nnk h THR 176 CO 0.18 0.33 -0.15 0.00 -0.25 0.00 0.00 175.52 175.62 3nnk h ALA 177 N 1.21 0.92 0.00 6.62 0.00 -1.85 -3.38 119.26 122.78 3nnk h ALA 177 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.95 3nnk h ALA 177 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3nnk h ALA 177 CO -0.03 0.00 -1.89 -1.13 0.00 0.00 0.00 179.25 176.20 3nnk n SER 178 N -2.91 2.40 -4.64 0.00 3.41 -1.06 -4.68 113.62 106.13 3nnk n SER 178 Ca 0.04 -0.01 -0.47 0.00 -0.26 0.00 0.00 58.87 58.16 3nnk n SER 178 Cb 0.52 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.15 2.66 0.00 1.04 7.94 -0.22 -1.29 117.00 123.98 3nnk n LEU 179 Ca -0.29 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.73 3nnk n LEU 179 Cb 0.78 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.37 3nnk n LEU 179 CO 0.12 -0.61 0.00 0.61 -1.11 0.00 0.00 177.39 176.40 3nnk n GLY 180 N 2.67 3.03 0.01 -3.96 0.00 -1.26 -4.43 105.19 101.25 3nnk n GLY 180 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.45 0.06 3.04 -0.02 0.00 -0.61 -3.65 105.19 103.56 3nnk n GLY 181 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.66 0.12 0.13 1.61 0.01 -0.41 -4.60 114.94 111.15 3nnk s ASN 182 Ca 0.00 -0.33 -0.34 0.00 -0.71 0.00 0.00 52.86 51.48 3nnk s ASN 182 Cb 0.00 0.15 -0.14 0.00 0.41 0.00 0.00 41.25 41.68 3nnk s ASN 182 CO 0.01 -0.32 1.60 -2.65 -1.51 0.00 0.00 177.10 174.23 3nnk n PRO 183 N 1.60 2.12 -3.51 -0.60 -0.02 -1.26 -4.61 135.00 128.72 3nnk n PRO 183 Ca -0.23 0.77 -0.20 0.00 -2.02 0.00 0.00 63.50 61.82 3nnk n PRO 183 Cb 0.55 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 3nnk n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3nnk s LEU 184 N 1.23 -0.01 -0.61 2.45 2.96 -1.26 -5.01 118.68 118.43 3nnk s LEU 184 Ca 0.80 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.34 3nnk s LEU 184 Cb -0.69 0.25 0.16 0.00 0.50 0.00 0.00 46.19 46.41 3nnk s LEU 184 CO 0.40 -0.33 0.44 -1.61 -1.32 0.00 0.00 176.35 173.92 3nnk s GLU 185 N 2.29 2.60 0.10 1.98 0.41 -1.26 -4.47 118.70 120.35 3nnk s GLU 185 Ca 0.06 -2.40 -0.24 0.00 -0.41 0.00 0.00 54.97 51.98 3nnk s GLU 185 Cb -0.16 -3.80 -0.10 0.00 -1.78 0.00 0.00 34.13 28.30 3nnk s GLU 185 CO -0.12 -1.18 1.70 1.15 -0.49 0.00 0.00 175.26 176.32 3nnk h THR 186 N 5.40 0.76 -0.07 3.63 2.02 -1.43 -1.83 112.91 121.38 3nnk h THR 186 Ca -0.03 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.94 3nnk h THR 186 Cb 0.98 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3nnk h THR 186 CO 0.72 0.00 -0.77 0.44 0.37 0.00 0.00 175.52 176.28 3nnk h ASP 187 N -0.19 0.81 0.78 4.18 5.19 -1.81 -1.19 116.42 124.20 3nnk h ASP 187 Ca 0.03 -0.68 -0.07 0.00 -0.62 0.00 0.00 57.03 55.69 3nnk h ASP 187 Cb 0.22 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 3nnk h ASP 187 CO -0.08 1.37 -0.32 -0.37 -3.12 0.00 0.00 179.24 176.73 3nnk h VAL 188 N 0.31 0.80 -0.65 -1.35 -1.51 -1.83 -2.89 116.25 109.13 3nnk h VAL 188 Ca -0.08 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 3nnk h VAL 188 Cb 1.43 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 3nnk h VAL 188 CO 0.16 0.31 0.00 0.79 -1.23 0.00 0.00 177.57 177.59 3nnk n TRP 189 N -3.55 1.64 -3.89 5.19 8.01 -0.69 -4.96 117.44 119.19 3nnk n TRP 189 Ca -0.00 -0.64 -0.26 0.00 -1.31 0.00 0.00 57.50 55.29 3nnk n TRP 189 Cb 0.46 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 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 -0.31 3.80 6.99 0.00 -1.09 -3.74 105.19 111.88 3nnk n GLY 190 Ca 0.27 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.95 4.49 -0.20 0.99 1.43 -0.45 -4.72 118.68 113.26 3nnk s LEU 191 Ca 0.19 1.17 0.11 0.00 -1.03 0.00 0.00 54.13 54.56 3nnk s LEU 191 Cb -0.10 -2.83 -0.22 0.00 0.03 0.00 0.00 46.19 43.07 3nnk s LEU 191 CO 0.86 0.24 0.05 0.47 0.23 0.00 0.00 176.35 178.20 3nnk n ASP 192 N 2.02 0.81 -3.74 2.29 8.00 0.32 -4.68 116.55 121.56 3nnk n ASP 192 Ca -0.10 0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 3nnk n ASP 192 Cb 0.51 0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.51 -0.63 -0.04 2.24 0.00 -1.05 -0.51 121.76 119.26 3nnk s ALA 193 Ca -0.18 0.96 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3nnk s ALA 193 Cb 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3nnk s ALA 193 CO 0.76 -0.18 -0.11 0.08 0.00 0.00 0.00 175.76 176.31 3nnk s VAL 194 N 0.89 0.97 0.12 0.00 1.01 -0.93 -2.06 120.40 120.41 3nnk s VAL 194 Ca -0.06 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.57 3nnk s VAL 194 Cb -0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3nnk s VAL 194 CO -0.06 0.30 -0.25 -0.94 0.00 0.00 0.00 175.10 174.16 3nnk s SER 195 N 0.29 3.04 0.18 3.32 1.04 -1.14 -1.46 113.70 118.96 3nnk s SER 195 Ca -0.06 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.67 3nnk s SER 195 Cb -0.11 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 3nnk s SER 195 CO 0.01 0.13 0.18 0.00 0.98 0.00 0.00 173.24 174.54 3nnk n ALA 196 N 0.94 0.26 -2.35 5.32 0.00 -0.12 -0.85 120.51 123.71 3nnk n ALA 196 Ca -0.18 -1.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.05 3nnk n ALA 196 Cb 0.53 0.81 -0.08 0.00 0.00 0.00 0.00 19.45 20.71 3nnk n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nnk s GLY 197 N -2.22 2.39 -0.23 0.00 0.00 -1.26 -3.65 107.32 102.35 3nnk s GLY 197 Ca 0.20 -1.79 0.07 0.00 0.00 0.00 0.00 44.72 43.20 3nnk s GLY 197 CO 0.14 -1.58 -0.13 1.03 0.00 0.00 0.00 173.10 172.57 3nnk n MET 198 N -0.70 0.70 -0.50 2.90 0.00 -1.25 -4.67 117.12 113.59 3nnk n MET 198 Ca 0.03 0.09 -0.03 0.00 0.00 0.00 0.00 57.70 57.80 3nnk n MET 198 Cb 0.63 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 32.37 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3nnk n GLN 199 N -3.05 1.13 0.09 0.03 0.00 -1.25 -0.15 117.38 114.17 3nnk n GLN 199 Ca -0.40 -0.26 0.04 0.00 0.00 0.00 0.00 57.00 56.39 3nnk n GLN 199 Cb 1.02 -1.10 0.22 0.00 0.00 0.00 0.00 30.24 30.37 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 0.45 -2.81 0.00 4.07 -1.77 -3.29 115.31 111.96 3nnk h LEU 202 Ca 0.00 -0.91 0.00 0.00 0.08 0.00 0.00 57.88 57.05 3nnk h LEU 202 Cb 0.41 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3nnk h LEU 202 CO 0.00 1.48 -0.04 0.61 -1.08 0.00 0.00 178.44 179.41 3nnk n GLY 203 N 1.69 -0.66 0.00 0.83 0.00 0.79 -4.79 105.19 103.06 3nnk n GLY 203 Ca -0.18 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -1.00 0.62 3.89 -0.02 0.00 -1.26 -2.32 105.19 105.10 3nnk n GLY 204 Ca 0.01 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N 0.00 3.61 0.64 1.61 0.04 -1.26 -3.95 135.00 135.69 3nnk s PRO 205 Ca 0.00 -0.05 -0.16 0.00 0.04 0.00 0.00 61.00 60.83 3nnk s PRO 205 Cb 0.00 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 3nnk s PRO 205 CO 0.00 0.59 1.13 -1.54 0.04 0.00 0.00 177.00 177.22 3nnk s SER 206 N -1.92 5.09 0.00 6.66 1.04 -1.26 -4.43 113.70 118.89 3nnk s SER 206 Ca 0.32 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.85 3nnk s SER 206 Cb -0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.42 3nnk s SER 206 CO 0.19 -1.64 0.00 0.61 0.98 0.00 0.00 173.24 173.38 3nnk n GLY 207 N -0.21 -0.18 2.95 7.32 0.00 -1.26 -4.96 105.19 108.84 3nnk n GLY 207 Ca 0.11 0.00 -0.13 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 -0.39 -0.01 -0.34 2.61 2.01 -0.87 -1.80 115.64 116.85 3nnk s THR 208 Ca 0.00 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.09 3nnk s THR 208 Cb 0.00 -0.16 0.10 0.00 0.01 0.00 0.00 72.50 72.45 3nnk s THR 208 CO 0.00 0.02 0.04 -0.55 -0.69 0.00 0.00 174.62 173.45 3nnk s SER 209 N 0.35 4.73 0.13 3.53 0.15 -0.90 -3.92 113.70 117.77 3nnk s SER 209 Ca -0.03 -2.11 -0.31 0.00 0.70 0.00 0.00 55.95 54.21 3nnk s SER 209 Cb -0.04 -1.60 -0.09 0.00 -1.71 0.00 0.00 66.02 62.58 3nnk s SER 209 CO -0.01 -0.37 1.56 -2.84 1.20 0.00 0.00 173.24 172.78 3nnk s PRO 210 N 0.93 4.22 0.17 5.44 0.02 -1.24 -2.02 135.00 142.53 3nnk s PRO 210 Ca 0.10 2.31 0.06 0.00 0.02 0.00 0.00 61.00 63.49 3nnk s PRO 210 Cb -0.19 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.00 3nnk s PRO 210 CO -0.08 -0.62 -0.12 0.96 -0.33 0.00 0.00 177.00 176.81 3nnk s ILE 211 N 1.54 1.41 -0.02 2.83 -4.36 -0.17 -0.95 121.20 121.48 3nnk s ILE 211 Ca 0.70 -2.07 -0.02 0.00 -0.26 0.00 0.00 60.65 59.00 3nnk s ILE 211 Cb -0.42 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.42 3nnk s ILE 211 CO 0.31 -0.65 0.05 0.28 0.24 0.00 0.00 174.94 175.17 3nnk s THR 212 N -3.04 0.00 -0.07 8.37 -1.32 -0.53 -1.55 115.64 117.50 3nnk s THR 212 Ca 0.18 -0.01 0.03 0.00 -1.21 0.00 0.00 61.69 60.68 3nnk s THR 212 Cb 0.00 -0.08 0.00 0.00 -1.51 0.00 0.00 72.50 70.92 3nnk s THR 212 CO 0.03 -0.00 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.51 3nnk s LEU 213 N 0.01 1.84 0.81 9.08 1.43 -0.18 -2.19 118.68 129.48 3nnk s LEU 213 Ca -0.00 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 3nnk s LEU 213 Cb -0.00 -1.01 0.08 0.00 0.03 0.00 0.00 46.19 45.28 3nnk s LEU 213 CO 0.00 0.10 1.14 -0.94 0.23 0.00 0.00 176.35 176.88 3nnk s SER 214 N 0.39 4.47 0.29 2.29 1.04 0.34 -4.15 113.70 118.36 3nnk s SER 214 Ca -0.12 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.32 3nnk s SER 214 Cb -0.15 -1.61 0.59 0.00 0.10 0.00 0.00 66.02 64.95 3nnk s SER 214 CO 0.04 -1.95 1.82 0.00 0.98 0.00 0.00 173.24 174.14 3nnk h ALA 215 N -1.08 1.54 -0.34 5.32 0.00 -1.95 -1.39 119.26 121.36 3nnk h ALA 215 Ca -0.47 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3nnk h ALA 215 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3nnk h ALA 215 CO 0.63 0.16 0.08 0.00 0.00 0.00 0.00 179.25 180.12 3nnk h ARG 216 N 0.94 0.54 -0.66 0.00 3.08 -1.94 -3.02 114.38 113.32 3nnk h ARG 216 Ca 0.51 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 3nnk h ARG 216 Cb 0.58 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3nnk h ARG 216 CO -0.29 0.60 0.29 0.52 -1.07 0.00 0.00 179.97 180.01 3nnk h MET 217 N 0.39 0.97 0.00 0.04 2.86 -1.58 -2.52 114.93 115.08 3nnk h MET 217 Ca 0.10 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3nnk h MET 217 Cb 0.31 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3nnk h MET 217 CO 0.00 0.80 -0.34 1.05 1.06 0.00 0.00 176.91 179.48 3nnk h GLU 218 N 0.92 0.00 -0.38 1.72 4.11 -1.36 -2.21 114.58 117.38 3nnk h GLU 218 Ca 0.22 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.55 3nnk h GLU 218 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3nnk h GLU 218 CO -0.02 0.34 -0.19 1.49 0.07 0.00 0.00 179.01 180.71 3nnk h GLU 219 N 0.00 0.72 -0.46 1.06 4.81 -1.33 -0.73 114.58 118.65 3nnk h GLU 219 Ca -0.00 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 3nnk h GLU 219 Cb 0.71 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3nnk h GLU 219 CO 0.04 0.86 -0.16 0.00 -0.73 0.00 0.00 179.01 179.02 3nnk h ALA 220 N 1.15 0.84 0.08 2.92 0.00 -1.05 -3.12 119.26 120.08 3nnk h ALA 220 Ca 0.10 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 3nnk h ALA 220 Cb 0.67 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3nnk h ALA 220 CO 0.05 0.65 -1.14 0.82 0.00 0.00 0.00 179.25 179.62 3nnk h ILE 221 N 0.79 1.37 0.00 0.00 2.04 -1.27 -3.20 117.51 117.24 3nnk h ILE 221 Ca 0.12 -2.60 -0.01 0.00 1.00 0.00 0.00 64.86 63.37 3nnk h ILE 221 Cb 0.69 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.43 3nnk h ILE 221 CO 0.05 0.78 -0.03 0.03 0.00 0.00 0.00 178.15 178.98 3nnk h ARG 222 N 0.21 0.00 0.00 2.37 -0.00 -1.19 -1.23 114.38 114.54 3nnk h ARG 222 Ca -0.14 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.33 3nnk h ARG 222 Cb 1.82 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.78 3nnk h ARG 222 CO 0.20 0.03 -0.08 0.00 0.00 0.00 0.00 179.97 180.13 3nnk h ARG 223 N 0.00 0.00 -0.58 0.04 3.08 -1.53 -2.69 114.38 112.70 3nnk h ARG 223 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nnk h ARG 223 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3nnk h ARG 223 CO 0.00 0.08 0.00 0.54 -1.07 0.00 0.00 179.97 179.52 3nnk n ARG 224 N -3.36 3.06 -1.68 0.04 1.74 -0.47 -0.80 116.66 115.20 3nnk n ARG 224 Ca -0.01 -2.58 -0.52 0.00 -0.77 0.00 0.00 57.85 53.97 3nnk n ARG 224 Cb 0.24 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 3nnk n ARG 224 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3nnk n LYS 225 N 1.08 1.63 -3.38 5.56 4.81 -1.01 -4.05 118.16 122.79 3nnk n LYS 225 Ca 0.21 0.59 -0.13 0.00 -0.87 0.00 0.00 58.31 58.11 3nnk n LYS 225 Cb 0.66 -2.33 -0.09 0.00 0.02 0.00 0.00 35.03 33.29 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 2.44 4.70 -0.05 0.00 1.01 -1.26 -4.95 120.40 122.29 3nnk s VAL 227 Ca 0.10 1.96 -0.37 0.00 0.00 0.00 0.00 61.98 63.67 3nnk s VAL 227 Cb -0.14 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 3nnk s VAL 227 CO -0.25 0.03 1.54 1.21 0.00 0.00 0.00 175.10 177.63 3nnk n GLU 228 N 4.83 1.31 -0.29 2.72 0.00 -1.26 -4.65 120.64 123.29 3nnk n GLU 228 Ca 0.09 0.47 0.27 0.00 0.00 0.00 0.00 57.16 57.99 3nnk n GLU 228 Cb 0.49 -2.16 0.49 0.00 0.00 0.00 0.00 31.44 30.26 3nnk n GLU 228 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3nnk n GLU 229 N 3.87 -0.06 0.22 5.31 2.13 -1.26 -0.59 120.64 130.27 3nnk n GLU 229 Ca 0.21 1.27 0.10 0.00 0.66 0.00 0.00 57.16 59.40 3nnk n GLU 229 Cb 0.18 -2.24 0.46 0.00 0.27 0.00 0.00 31.44 30.12 3nnk n GLU 229 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3nnk h GLY 230 N 0.00 0.00 -0.47 8.31 0.00 -2.02 -3.18 103.07 105.71 3nnk h GLY 230 Ca 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.06 3nnk h GLY 230 CO -0.72 0.00 -0.22 0.29 0.00 0.00 0.00 176.54 175.88 3nnk n ILE 231 N -3.41 1.86 -3.43 2.60 -5.35 0.24 -5.03 119.36 106.84 3nnk n ILE 231 Ca -0.00 -2.46 -0.38 0.00 -0.27 0.00 0.00 62.75 59.64 3nnk n ILE 231 Cb 0.43 -0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 38.09 3nnk n ILE 231 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3nnk s ARG 232 N -2.79 4.10 0.26 6.28 3.52 -0.92 -4.87 118.95 124.54 3nnk s ARG 232 Ca 0.33 0.43 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 3nnk s ARG 232 Cb 0.30 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.40 3nnk s ARG 232 CO -0.01 0.49 0.16 0.25 -0.81 0.00 0.00 175.30 175.37 3nnk n THR 233 N 2.52 0.00 0.60 4.11 -2.24 -1.26 -5.03 114.28 112.99 3nnk n THR 233 Ca -0.11 -1.07 0.13 0.00 -2.27 0.00 0.00 64.05 60.73 3nnk n THR 233 Cb 0.52 -0.18 0.44 0.00 -2.10 0.00 0.00 70.33 69.01 3nnk n THR 233 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3nnk n ASP 234 N -1.78 0.71 0.17 3.42 8.00 -1.26 -3.20 116.55 122.62 3nnk n ASP 234 Ca -0.03 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.18 3nnk n ASP 234 Cb 0.30 -0.77 0.10 0.00 -0.02 0.00 0.00 41.12 40.73 3nnk n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk h ALA 235 N 2.50 0.81 -2.36 2.24 0.00 -2.02 -3.46 119.26 116.97 3nnk h ALA 235 Ca 0.00 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 3nnk h ALA 235 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3nnk h ALA 235 CO 0.00 0.01 0.47 -1.01 0.00 0.00 0.00 179.25 178.72 3nnk s HIS 236 N -3.26 3.56 0.01 0.00 3.76 -1.20 -5.04 115.29 113.12 3nnk s HIS 236 Ca 0.04 1.60 0.02 0.00 -0.15 0.00 0.00 55.06 56.57 3nnk s HIS 236 Cb 0.07 -3.19 -0.01 0.00 1.11 0.00 0.00 32.58 30.56 3nnk s HIS 236 CO 0.72 -0.28 -0.08 -0.98 -0.85 0.00 0.00 174.74 173.26 3nnk s ARG 237 N 1.40 0.60 0.74 1.40 1.70 -1.26 -4.89 118.95 118.65 3nnk s ARG 237 Ca 0.52 -0.40 -0.11 0.00 -0.47 0.00 0.00 55.73 55.26 3nnk s ARG 237 Cb -0.21 -0.54 0.04 0.00 -0.57 0.00 0.00 34.95 33.66 3nnk s ARG 237 CO 0.25 0.14 1.09 -0.51 -1.08 0.00 0.00 175.30 175.19 3nnk s ASP 238 N -0.54 4.71 0.93 -2.89 1.01 -1.26 -4.86 116.67 113.76 3nnk s ASP 238 Ca 0.00 1.83 -0.14 0.00 0.71 0.00 0.00 52.55 54.95 3nnk s ASP 238 Cb -0.05 -2.52 0.19 0.00 1.01 0.00 0.00 42.92 41.55 3nnk s ASP 238 CO 0.00 -1.90 1.28 -0.83 0.21 0.00 0.00 175.17 173.93 3nnk s GLY 239 N -3.30 1.77 0.00 0.21 0.00 -0.81 -4.95 107.32 100.25 3nnk s GLY 239 Ca 0.62 -1.26 0.18 0.00 0.00 0.00 0.00 44.72 44.25 3nnk s GLY 239 CO 0.53 -0.53 1.56 1.22 0.00 0.00 0.00 173.10 175.89 3nnk n ASP 240 N -3.63 0.00 -4.45 1.64 8.00 -0.98 -4.83 116.55 112.30 3nnk n ASP 240 Ca 0.15 0.38 -0.23 0.00 0.71 0.00 0.00 54.79 55.80 3nnk n ASP 240 Cb 0.60 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 41.15 3nnk n ASP 240 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3nnk s GLU 241 N -2.89 1.61 0.54 -1.24 2.02 0.02 -5.06 118.70 113.70 3nnk s GLU 241 Ca 0.11 -1.80 -0.22 0.00 0.02 0.00 0.00 54.97 53.08 3nnk s GLU 241 Cb 0.12 -1.39 -0.06 0.00 0.10 0.00 0.00 34.13 32.90 3nnk s GLU 241 CO 0.31 0.13 1.23 -0.85 0.02 0.00 0.00 175.26 176.10 3nnk n GLU 242 N -0.62 1.51 -1.24 1.61 0.28 -1.26 -4.41 120.64 116.50 3nnk n GLU 242 Ca -0.06 0.55 -0.34 0.00 -0.16 0.00 0.00 57.16 57.15 3nnk n GLU 242 Cb 0.62 -2.42 0.11 0.00 1.43 0.00 0.00 31.44 31.19 3nnk n GLU 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3nnk n MET 243 N -0.82 0.38 -2.48 3.44 0.00 -1.26 -4.63 117.12 111.76 3nnk n MET 243 Ca 0.11 0.20 -0.42 0.00 0.00 0.00 0.00 57.70 57.58 3nnk n MET 243 Cb 0.44 -2.41 -0.03 0.00 0.00 0.00 0.00 33.22 31.23 3nnk n MET 243 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3nnk s ILE 244 N -1.95 4.26 -1.44 3.17 1.01 -1.26 -4.93 121.20 120.06 3nnk s ILE 244 Ca 0.75 1.60 -0.09 0.00 0.00 0.00 0.00 60.65 62.91 3nnk s ILE 244 Cb -0.31 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 3nnk s ILE 244 CO 0.49 0.05 2.93 -1.22 0.00 0.00 0.00 174.94 177.19 3nnk n TYR 245 N 4.70 2.25 -3.65 3.97 4.01 -1.26 -4.66 117.16 122.52 3nnk n TYR 245 Ca 0.10 -2.92 -0.02 0.00 -0.16 0.00 0.00 57.90 54.90 3nnk n TYR 245 Cb 0.47 -2.31 -0.07 0.00 -0.31 0.00 0.00 39.34 37.12 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 1.85 -0.31 -0.03 7.72 0.15 -1.26 -5.05 113.70 116.76 3nnk s SER 246 Ca 0.67 0.52 -0.22 0.00 0.70 0.00 0.00 55.95 57.63 3nnk s SER 246 Cb 0.19 0.97 -0.26 0.00 -1.71 0.00 0.00 66.02 65.21 3nnk s SER 246 CO -0.06 -0.08 1.00 -1.13 1.20 0.00 0.00 173.24 174.16 3nnk h ASN 247 N 5.16 0.42 0.28 5.45 -1.24 -1.97 -3.21 115.58 120.46 3nnk h ASN 247 Ca -0.27 -0.84 -0.20 0.00 0.71 0.00 0.00 56.30 55.69 3nnk h ASN 247 Cb 1.18 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.10 3nnk h ASN 247 CO 0.19 1.22 -0.82 0.22 -1.29 0.00 0.00 177.43 176.95 3nnk h TYR 248 N -0.32 0.59 -0.61 0.67 3.20 -1.97 -3.21 116.97 115.32 3nnk h TYR 248 Ca -0.08 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3nnk h TYR 248 Cb 1.34 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3nnk h TYR 248 CO 0.18 1.07 0.00 1.19 -1.64 0.00 0.00 178.16 178.96 3nnk n PHE 249 N -3.80 0.81 -2.13 -3.82 3.72 -1.26 -4.86 117.46 106.12 3nnk n PHE 249 Ca -0.05 -0.40 -0.40 0.00 -0.05 0.00 0.00 57.45 56.55 3nnk n PHE 249 Cb 0.76 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.27 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 -1.12 5.53 0.51 4.37 -1.08 -1.21 -4.56 116.67 119.10 3nnk s ASP 250 Ca 0.44 0.35 0.30 0.00 -0.52 0.00 0.00 52.55 53.12 3nnk s ASP 250 Cb 0.23 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 40.26 3nnk s ASP 250 CO 0.31 -2.18 1.89 -0.07 0.52 0.00 0.00 175.17 175.64 3nnk h LEU 251 N 15.41 0.00 -0.76 -1.34 3.38 -1.89 -2.50 115.31 127.61 3nnk h LEU 251 Ca -0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3nnk h LEU 251 Cb 1.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3nnk h LEU 251 CO 1.20 0.05 0.27 1.23 0.09 0.00 0.00 178.44 181.28 3nnk h GLY 252 N 2.38 1.25 2.00 0.83 0.00 -1.89 0.44 103.07 108.08 3nnk h GLY 252 Ca -0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 47.33 46.44 3nnk h GLY 252 CO 0.01 0.67 -0.82 -0.33 0.00 0.00 0.00 176.54 176.06 3nnk h MET 253 N 1.12 0.00 -0.31 4.80 2.86 -1.88 -2.38 114.93 119.14 3nnk h MET 253 Ca 0.25 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.79 3nnk h MET 253 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3nnk h MET 253 CO -0.01 0.82 -0.20 0.28 1.06 0.00 0.00 176.91 178.86 3nnk h VAL 254 N 0.00 1.29 -0.58 -2.22 2.07 -1.18 -1.97 116.25 113.66 3nnk h VAL 254 Ca -0.01 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.26 3nnk h VAL 254 Cb 1.56 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 3nnk h VAL 254 CO 0.11 0.43 0.26 0.24 0.02 0.00 0.00 177.57 178.62 3nnk h MET 255 N 0.44 0.46 -0.95 1.57 2.86 -0.13 -2.23 114.93 116.96 3nnk h MET 255 Ca 0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3nnk h MET 255 Cb 0.74 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 3nnk h MET 255 CO 0.05 0.31 0.59 -0.44 1.06 0.00 0.00 176.91 178.48 3nnk h ASP 256 N 0.48 1.13 -0.05 1.22 3.32 -1.30 0.75 116.42 121.96 3nnk h ASP 256 Ca 0.28 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.28 3nnk h ASP 256 Cb 0.28 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3nnk h ASP 256 CO -0.24 0.85 0.00 0.22 -1.72 0.00 0.00 179.24 178.35 3nnk h TYR 257 N 1.31 0.00 0.00 4.55 3.20 -0.85 -2.65 116.97 122.53 3nnk h TYR 257 Ca 0.34 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 3nnk h TYR 257 Cb -0.09 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3nnk h TYR 257 CO 0.00 -0.00 -0.25 -1.49 -1.64 0.00 0.00 178.16 174.78 3nnk h TRP 258 N 0.02 0.00 -4.22 -3.82 4.06 -1.23 -3.36 115.95 107.40 3nnk h TRP 258 Ca 0.02 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.52 3nnk h TRP 258 Cb 0.02 0.00 0.14 0.00 -1.00 0.00 0.00 29.16 28.32 3nnk h TRP 258 CO -0.10 0.25 0.42 0.20 -3.56 0.00 0.00 178.44 175.65 3nnk s GLY 259 N -4.31 1.72 0.65 1.49 0.00 0.24 -4.92 107.32 102.19 3nnk s GLY 259 Ca 0.02 -1.02 0.39 0.00 0.00 0.00 0.00 44.72 44.12 3nnk s GLY 259 CO 0.66 -0.34 2.28 -0.56 0.00 0.00 0.00 173.10 175.14 3nnk h PRO 260 N -1.44 0.00 0.00 2.90 0.13 -1.88 -0.88 132.00 130.82 3nnk h PRO 260 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3nnk h PRO 260 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3nnk h PRO 260 CO 0.47 0.00 -0.54 1.49 -0.23 0.00 0.00 178.00 179.20 3nnk h GLU 261 N 0.00 0.00 -4.20 0.86 4.81 -1.91 -3.47 114.58 110.67 3nnk h GLU 261 Ca 0.01 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.85 3nnk h GLU 261 Cb 0.12 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.52 3nnk h GLU 261 CO -0.00 0.54 -0.55 0.54 -0.73 0.00 0.00 179.01 178.80 3nnk n ARG 262 N -3.82 -3.65 -1.65 1.92 5.12 -0.34 -4.89 116.66 109.36 3nnk n ARG 262 Ca -0.01 0.84 -0.50 0.00 -1.93 0.00 0.00 57.85 56.25 3nnk n ARG 262 Cb 0.56 -5.61 -0.05 0.00 -1.16 0.00 0.00 32.46 26.20 3nnk n ARG 262 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3nnk n LEU 263 N -3.62 2.53 -3.58 0.55 -0.00 -1.14 -4.80 117.00 106.93 3nnk n LEU 263 Ca -0.14 1.08 -0.40 0.00 -0.00 0.00 0.00 56.01 56.55 3nnk n LEU 263 Cb 0.63 -1.29 -0.03 0.00 -0.00 0.00 0.00 43.42 42.72 3nnk n LEU 263 CO 0.40 -0.54 2.50 -3.20 -0.00 0.00 0.00 177.39 176.56 3nnk n ASN 264 N 3.88 3.95 0.11 1.96 5.15 -1.26 -3.76 115.26 125.29 3nnk n ASN 264 Ca 0.20 -2.69 -0.12 0.00 -0.60 0.00 0.00 54.58 51.36 3nnk n ASN 264 Cb 0.23 -1.38 -0.08 0.00 -0.53 0.00 0.00 39.78 38.03 3nnk n ASN 264 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 3nnk h HIS 265 N 6.67 -0.30 -3.77 1.20 -0.00 -1.87 -3.48 115.15 113.59 3nnk h HIS 265 Ca 0.54 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.78 3nnk h HIS 265 Cb 0.56 0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 27.99 3nnk h HIS 265 CO 1.47 0.07 -0.13 -3.38 -0.00 0.00 0.00 177.93 175.96 3nnk s HIS 266 N -4.23 0.57 -0.53 5.26 0.00 -1.26 -5.07 115.29 110.02 3nnk s HIS 266 Ca -0.14 -0.91 -0.22 0.00 -3.00 0.00 0.00 55.06 50.79 3nnk s HIS 266 Cb 0.02 0.13 0.05 0.00 -4.00 0.00 0.00 32.58 28.77 3nnk s HIS 266 CO 0.52 -1.06 0.83 0.99 -1.00 0.00 0.00 174.74 175.03 3nnk s THR 267 N -3.65 4.56 0.15 -5.38 2.01 -1.26 -5.01 115.64 107.06 3nnk s THR 267 Ca 0.25 0.03 -0.34 0.00 0.31 0.00 0.00 61.69 61.93 3nnk s THR 267 Cb -0.01 -4.45 -0.15 0.00 0.01 0.00 0.00 72.50 67.91 3nnk s THR 267 CO 0.12 -0.99 1.43 1.21 -0.69 0.00 0.00 174.62 175.70 3nnk n GLU 268 N 7.00 1.71 -1.70 4.92 4.07 -1.26 -4.82 120.64 130.56 3nnk n GLU 268 Ca -0.01 0.61 -0.35 0.00 -0.06 0.00 0.00 57.16 57.35 3nnk n GLU 268 Cb 0.47 -2.29 -0.03 0.00 -0.06 0.00 0.00 31.44 29.52 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 0.48 1.71 0.19 4.31 0.00 -1.26 -4.85 121.76 122.34 3nnk s ALA 269 Ca 0.78 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 3nnk s ALA 269 Cb -0.78 -4.36 0.12 0.00 0.00 0.00 0.00 23.12 18.11 3nnk s ALA 269 CO 0.44 -4.43 1.83 1.15 0.00 0.00 0.00 175.76 174.75 3nnk h THR 270 N 7.47 1.08 -0.08 0.00 2.02 -1.97 -0.96 112.91 120.47 3nnk h THR 270 Ca -0.22 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 3nnk h THR 270 Cb 1.22 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3nnk h THR 270 CO 1.17 0.13 -0.37 0.74 0.37 0.00 0.00 175.52 177.55 3nnk h THR 271 N 0.71 1.41 0.00 3.16 2.02 -1.91 -2.67 112.91 115.62 3nnk h THR 271 Ca 0.23 -1.75 -0.02 0.00 0.77 0.00 0.00 66.41 65.64 3nnk h THR 271 Cb 0.01 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 3nnk h THR 271 CO -0.09 0.51 -0.11 0.00 0.37 0.00 0.00 175.52 176.20 3nnk h ALA 272 N 0.44 1.48 -0.29 6.16 0.00 -1.92 -0.85 119.26 124.28 3nnk h ALA 272 Ca -0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3nnk h ALA 272 Cb 1.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3nnk h ALA 272 CO 0.08 0.13 -0.37 1.25 0.00 0.00 0.00 179.25 180.34 3nnk h LEU 273 N 0.00 0.82 -0.93 0.00 6.46 -1.10 -0.20 115.31 120.36 3nnk h LEU 273 Ca -0.00 -0.50 -0.02 0.00 -0.12 0.00 0.00 57.88 57.24 3nnk h LEU 273 Cb 0.24 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 3nnk h LEU 273 CO 0.01 1.16 0.47 -0.26 -0.62 0.00 0.00 178.44 179.19 3nnk h PHE 274 N 0.51 1.20 0.60 1.25 0.04 -1.02 0.57 116.94 120.09 3nnk h PHE 274 Ca 0.04 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3nnk h PHE 274 Cb 0.96 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 3nnk h PHE 274 CO 0.07 0.84 -0.34 0.78 -0.60 0.00 0.00 178.31 179.06 3nnk h GLY 275 N 1.23 -0.93 0.72 -1.45 0.00 -1.09 -2.00 103.07 99.55 3nnk h GLY 275 Ca 0.30 0.37 0.06 0.00 0.00 0.00 0.00 47.33 48.07 3nnk h GLY 275 CO -0.05 -0.34 0.54 0.00 0.00 0.00 0.00 176.54 176.70 3nnk h ALA 276 N -0.52 1.20 -0.17 3.60 0.00 -0.87 -2.21 119.26 120.31 3nnk h ALA 276 Ca -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3nnk h ALA 276 Cb 0.70 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3nnk h ALA 276 CO 0.09 0.29 0.04 -0.09 0.00 0.00 0.00 179.25 179.58 3nnk h ARG 277 N 0.99 0.10 -0.30 0.00 2.43 -0.83 -2.81 114.38 113.96 3nnk h ARG 277 Ca 0.38 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3nnk h ARG 277 Cb 0.17 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3nnk h ARG 277 CO -0.17 0.07 0.20 0.93 -1.51 0.00 0.00 179.97 179.48 3nnk h GLU 278 N 0.11 0.39 -0.39 0.20 4.39 -0.92 -1.69 114.58 116.67 3nnk h GLU 278 Ca 0.07 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.82 3nnk h GLU 278 Cb 0.06 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 3nnk h GLU 278 CO -0.09 0.26 -0.04 0.00 -1.16 0.00 0.00 179.01 177.98 3nnk h ALA 280 N 1.37 0.72 -0.47 0.00 0.00 -1.39 -2.46 119.26 117.02 3nnk h ALA 280 Ca 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3nnk h ALA 280 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3nnk h ALA 280 CO -0.36 0.48 0.28 -0.09 0.00 0.00 0.00 179.25 179.56 3nnk h ARG 281 N 0.79 0.65 -0.35 0.00 2.43 -0.70 -1.67 114.38 115.53 3nnk h ARG 281 Ca 0.16 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3nnk h ARG 281 Cb 0.43 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3nnk h ARG 281 CO 0.01 0.48 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.72 3nnk h LEU 282 N 0.63 0.62 -0.31 3.80 3.38 -0.63 -1.18 115.31 121.62 3nnk h LEU 282 Ca 0.17 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3nnk h LEU 282 Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3nnk h LEU 282 CO -0.03 0.80 -0.13 0.40 0.09 0.00 0.00 178.44 179.58 3nnk h ILE 283 N 0.57 1.29 0.00 1.22 2.04 -1.27 -2.98 117.51 118.38 3nnk h ILE 283 Ca 0.09 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 3nnk h ILE 283 Cb 0.61 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3nnk h ILE 283 CO 0.04 0.39 -0.44 -0.07 0.00 0.00 0.00 178.15 178.07 3nnk h LEU 284 N 0.40 0.00 -0.41 1.44 3.38 -1.16 0.14 115.31 119.10 3nnk h LEU 284 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3nnk h LEU 284 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3nnk h LEU 284 CO 0.04 0.44 0.04 1.56 0.09 0.00 0.00 178.44 180.61 3nnk h GLN 285 N 0.00 0.69 -0.33 1.13 4.20 -1.25 -3.00 115.11 116.55 3nnk h GLN 285 Ca -0.00 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.34 3nnk h GLN 285 Cb 1.14 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 3nnk h GLN 285 CO 0.06 0.75 -0.45 1.49 -0.67 0.00 0.00 178.83 180.01 3nnk h GLU 286 N 0.54 0.88 0.00 1.46 4.81 -1.46 -3.50 114.58 117.32 3nnk h GLU 286 Ca 0.12 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3nnk h GLU 286 Cb 0.41 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3nnk h GLU 286 CO 0.01 1.15 0.00 0.41 -0.73 0.00 0.00 179.01 179.86 3nnk n GLY 287 N 0.25 1.70 0.31 1.92 0.00 0.48 -4.68 105.19 105.17 3nnk n GLY 287 Ca -0.03 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.69 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 0.75 -1.17 0.99 5.85 -1.84 -0.35 115.31 119.54 3nnk h LEU 288 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3nnk h LEU 288 Cb 0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3nnk h LEU 288 CO 0.00 0.47 0.57 0.44 -0.34 0.00 0.00 178.44 179.58 3nnk h ASP 289 N 0.88 0.96 -0.06 1.25 5.19 -1.92 0.73 116.42 123.45 3nnk h ASP 289 Ca 0.37 -0.02 -0.20 0.00 -0.62 0.00 0.00 57.03 56.56 3nnk h ASP 289 Cb 0.22 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.49 3nnk h ASP 289 CO -0.19 0.68 -0.69 1.88 -3.12 0.00 0.00 179.24 177.80 3nnk h TYR 290 N 1.13 0.91 -0.17 4.55 0.05 -1.56 -0.96 116.97 120.92 3nnk h TYR 290 Ca 0.32 -0.38 0.02 0.00 0.05 0.00 0.00 58.73 58.75 3nnk h TYR 290 Cb -0.07 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 3nnk h TYR 290 CO -0.00 1.18 0.04 0.78 -1.05 0.00 0.00 178.16 179.10 3nnk h GLY 291 N 0.82 0.19 0.95 3.88 0.00 -0.60 -0.02 103.07 108.29 3nnk h GLY 291 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3nnk h GLY 291 CO 0.14 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.42 3nnk h ILE 292 N 0.11 0.92 -0.91 2.60 2.04 -0.85 -2.11 117.51 119.31 3nnk h ILE 292 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.03 3nnk h ILE 292 Cb 0.07 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 3nnk h ILE 292 CO -0.10 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.64 3nnk h ALA 293 N 0.88 1.60 -0.40 1.87 0.00 -1.03 -1.49 119.26 120.68 3nnk h ALA 293 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3nnk h ALA 293 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3nnk h ALA 293 CO -0.01 0.22 0.17 -0.09 0.00 0.00 0.00 179.25 179.54 3nnk h ARG 294 N 0.93 0.59 -0.84 0.00 2.43 -0.72 -1.17 114.38 115.61 3nnk h ARG 294 Ca 0.42 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3nnk h ARG 294 Cb 0.38 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3nnk h ARG 294 CO -0.18 0.55 0.49 0.45 -1.51 0.00 0.00 179.97 179.77 3nnk h HIS 295 N 0.50 1.11 -0.29 2.20 3.86 -0.68 -2.50 115.15 119.35 3nnk h HIS 295 Ca 0.13 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3nnk h HIS 295 Cb 0.17 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 3nnk h HIS 295 CO -0.00 0.74 -0.08 -0.22 0.86 0.00 0.00 177.93 179.23 3nnk h LYS 296 N 1.16 0.56 -0.01 2.45 3.64 -1.09 -1.40 116.57 121.87 3nnk h LYS 296 Ca 0.30 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3nnk h LYS 296 Cb -0.03 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3nnk h LYS 296 CO -0.05 0.76 -0.16 1.25 -2.27 0.00 0.00 179.45 178.98 3nnk h LEU 297 N 0.32 -0.46 -0.23 5.20 5.85 -1.01 -1.17 115.31 123.80 3nnk h LEU 297 Ca 0.07 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 3nnk h LEU 297 Cb 0.56 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3nnk h LEU 297 CO 0.03 -0.22 -0.77 0.45 -0.34 0.00 0.00 178.44 177.60 3nnk h HIS 298 N -0.25 0.00 -0.25 1.25 3.86 -1.50 -2.19 115.15 116.06 3nnk h HIS 298 Ca 0.05 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3nnk h HIS 298 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 3nnk h HIS 298 CO -0.21 0.77 0.03 0.78 0.86 0.00 0.00 177.93 180.16 3nnk h GLY 299 N 2.80 0.46 1.38 2.45 0.00 -1.16 -2.57 103.07 106.42 3nnk h GLY 299 Ca -0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3nnk h GLY 299 CO 0.10 0.29 -0.16 -0.55 0.00 0.00 0.00 176.54 176.22 3nnk h ASP 300 N 0.23 0.72 -0.71 0.19 3.32 -1.19 -2.42 116.42 116.56 3nnk h ASP 300 Ca 0.08 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3nnk h ASP 300 Cb 0.35 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3nnk h ASP 300 CO 0.01 0.89 0.40 0.00 -1.72 0.00 0.00 179.24 178.82 3nnk h ALA 301 N 1.17 0.91 -0.73 3.45 0.00 -1.38 -2.28 119.26 120.39 3nnk h ALA 301 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3nnk h ALA 301 Cb 0.64 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3nnk h ALA 301 CO 0.04 0.41 0.21 1.25 0.00 0.00 0.00 179.25 181.17 3nnk h LEU 302 N 0.97 1.07 0.10 0.00 5.85 -1.29 -2.20 115.31 119.82 3nnk h LEU 302 Ca 0.25 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3nnk h LEU 302 Cb 0.01 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3nnk h LEU 302 CO -0.04 1.00 -0.20 0.58 -0.34 0.00 0.00 178.44 179.44 3nnk h VAL 303 N 1.08 0.55 -0.72 1.05 2.07 -1.11 -0.72 116.25 118.45 3nnk h VAL 303 Ca 0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 3nnk h VAL 303 Cb 0.32 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3nnk h VAL 303 CO -0.00 0.00 0.36 0.11 0.02 0.00 0.00 177.57 178.06 3nnk h LYS 304 N -0.37 1.02 0.34 1.57 1.57 -1.31 0.41 116.57 119.79 3nnk h LYS 304 Ca 0.03 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3nnk h LYS 304 Cb 0.39 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3nnk h LYS 304 CO -0.11 0.77 -0.17 0.78 -0.57 0.00 0.00 179.45 180.15 3nnk h GLY 305 N 1.07 -0.48 0.58 3.86 0.00 -1.23 -0.31 103.07 106.56 3nnk h GLY 305 Ca 0.25 0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.82 3nnk h GLY 305 CO -0.04 -0.18 0.19 -2.22 0.00 0.00 0.00 176.54 174.30 3nnk h ILE 306 N -0.50 0.86 -0.75 2.60 1.08 -0.67 0.02 117.51 120.15 3nnk h ILE 306 Ca -0.05 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 3nnk h ILE 306 Cb 0.38 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 3nnk h ILE 306 CO 0.08 0.07 0.40 1.56 -0.69 0.00 0.00 178.15 179.56 3nnk h GLN 307 N 0.38 1.06 0.00 2.37 4.20 -0.11 -2.16 115.11 120.84 3nnk h GLN 307 Ca 0.23 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3nnk h GLN 307 Cb 0.22 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3nnk h GLN 307 CO -0.22 0.80 -0.11 0.00 -0.67 0.00 0.00 178.83 178.63 3nnk h ALA 308 N 1.20 0.98 0.00 3.87 0.00 -0.77 -2.72 119.26 121.82 3nnk h ALA 308 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3nnk h ALA 308 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3nnk h ALA 308 CO -0.04 0.14 0.00 -0.12 0.00 0.00 0.00 179.25 179.23 3nnk n MET 309 N -3.19 0.16 -0.70 0.00 0.00 -0.03 -4.31 117.12 109.05 3nnk n MET 309 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.88 3nnk n MET 309 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.16 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 0.08 0.67 3.83 -5.12 0.00 -1.02 -4.81 105.19 98.82 3nnk n GLY 310 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3nnk n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 311 N 0.00 4.45 0.40 0.99 1.43 -1.10 -5.06 118.68 119.80 3nnk s LEU 311 Ca 0.00 1.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.96 3nnk s LEU 311 Cb 0.00 -2.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.27 3nnk s LEU 311 CO 0.00 0.25 0.90 -1.61 0.23 0.00 0.00 176.35 176.12 3nnk s GLU 312 N -1.34 4.18 0.23 1.70 2.02 -1.26 -4.34 118.70 119.89 3nnk s GLU 312 Ca 0.29 1.02 0.08 0.00 0.02 0.00 0.00 54.97 56.37 3nnk s GLU 312 Cb -0.17 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3nnk s GLU 312 CO 0.17 0.03 0.06 0.95 0.02 0.00 0.00 175.26 176.48 3nnk s THR 313 N -2.11 3.87 -0.09 3.63 -4.23 -1.26 -0.90 115.64 114.55 3nnk s THR 313 Ca 0.60 -1.57 -0.05 0.00 -1.18 0.00 0.00 61.69 59.49 3nnk s THR 313 Cb -0.10 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 3nnk s THR 313 CO 0.14 -0.27 0.11 0.12 -0.54 0.00 0.00 174.62 174.19 3nnk s PHE 314 N -2.05 3.48 0.00 3.99 5.36 -0.35 -4.81 117.98 123.59 3nnk s PHE 314 Ca 0.30 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 3nnk s PHE 314 Cb -0.08 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 3nnk s PHE 314 CO 0.21 0.66 0.00 0.41 -1.46 0.00 0.00 175.22 175.04 3nnk n GLY 315 N 1.81 -2.70 3.42 13.12 0.00 -1.26 -4.54 105.19 115.04 3nnk n GLY 315 Ca -0.18 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.07 6.19 0.58 1.61 2.15 -1.06 -4.92 116.67 119.16 3nnk s ASP 316 Ca 0.00 -1.18 0.29 0.00 0.43 0.00 0.00 52.55 52.09 3nnk s ASP 316 Cb 0.00 -2.38 1.79 0.00 -0.30 0.00 0.00 42.92 42.03 3nnk s ASP 316 CO 0.00 -1.32 2.24 -0.07 -0.17 0.00 0.00 175.17 175.85 3nnk h LEU 317 N 10.83 0.00 -1.52 -1.34 3.38 -1.93 0.30 115.31 125.04 3nnk h LEU 317 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3nnk h LEU 317 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3nnk h LEU 317 CO 1.15 0.01 0.06 0.11 0.09 0.00 0.00 178.44 179.87 3nnk h LYS 318 N 0.00 0.00 0.00 1.13 1.57 -2.01 -2.66 116.57 114.60 3nnk h LYS 318 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3nnk h LYS 318 Cb 0.03 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 3nnk h LYS 318 CO 0.00 0.00 -0.49 0.72 -0.57 0.00 0.00 179.45 179.11 3nnk n HIS 319 N -2.33 0.00 -2.06 -1.35 8.25 0.08 -5.09 115.22 112.73 3nnk n HIS 319 Ca -0.02 -0.35 -0.39 0.00 -0.26 0.00 0.00 57.72 56.70 3nnk n HIS 319 Cb 0.10 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.72 3.85 0.40 -0.41 2.20 -1.01 -0.86 119.74 123.20 3nnk s LYS 320 Ca 0.14 2.11 -0.26 0.00 -0.36 0.00 0.00 55.97 57.59 3nnk s LYS 320 Cb 0.14 -2.65 -0.09 0.00 -1.51 0.00 0.00 37.83 33.72 3nnk s LYS 320 CO -0.03 -0.57 1.33 -1.64 -0.36 0.00 0.00 175.35 174.08 3nnk s MET 321 N -2.37 3.97 0.60 4.03 -1.94 -0.52 -4.73 119.30 118.35 3nnk s MET 321 Ca 0.59 2.21 0.32 0.00 -1.71 0.00 0.00 55.69 57.11 3nnk s MET 321 Cb -0.37 -2.78 1.93 0.00 2.01 0.00 0.00 34.83 35.62 3nnk s MET 321 CO 0.47 -0.51 2.27 -0.91 -0.01 0.00 0.00 175.02 176.33 3nnk h ASN 322 N 2.71 0.00 -0.08 3.03 2.35 -1.88 -3.22 115.58 118.49 3nnk h ASN 322 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3nnk h ASN 322 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3nnk h ASN 322 CO 0.63 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 175.95 3nnk n ASN 323 N -3.72 1.91 -3.88 5.81 6.94 -1.26 -3.88 115.26 117.18 3nnk n ASN 323 Ca -0.03 -1.56 -0.12 0.00 -0.02 0.00 0.00 54.58 52.85 3nnk n ASN 323 Cb 0.09 -0.05 -0.14 0.00 -2.36 0.00 0.00 39.78 37.32 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 -0.71 0.01 -0.03 3.53 1.01 -1.22 -0.77 120.40 122.22 3nnk s VAL 324 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3nnk s VAL 324 Cb 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 36.38 36.42 3nnk s VAL 324 CO 0.08 -0.06 -0.02 -0.22 0.00 0.00 0.00 175.10 174.88 3nnk s LEU 325 N -0.17 1.28 -0.24 3.92 0.20 -0.85 -4.37 118.68 118.45 3nnk s LEU 325 Ca -0.02 -0.08 -0.19 0.00 0.69 0.00 0.00 54.13 54.54 3nnk s LEU 325 Cb -0.01 -0.33 -0.03 0.00 -0.43 0.00 0.00 46.19 45.40 3nnk s LEU 325 CO -0.00 -0.07 0.55 -0.83 -0.29 0.00 0.00 176.35 175.71 3nnk s GLY 326 N 0.91 1.89 -0.19 7.98 0.00 -1.26 -1.90 107.32 114.75 3nnk s GLY 326 Ca -0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 3nnk s GLY 326 CO -0.01 1.27 -0.09 0.14 0.00 0.00 0.00 173.10 174.41 3nnk s VAL 327 N 2.20 3.08 -0.25 1.40 1.01 -0.31 -1.21 120.40 126.33 3nnk s VAL 327 Ca 0.23 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 3nnk s VAL 327 Cb -0.16 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3nnk s VAL 327 CO 0.09 0.47 1.17 -0.69 0.00 0.00 0.00 175.10 176.14 3nnk s VAL 328 N 1.17 4.41 -0.07 2.92 1.01 -0.08 -0.29 120.40 129.48 3nnk s VAL 328 Ca 0.02 1.66 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 3nnk s VAL 328 Cb -0.14 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 3nnk s VAL 328 CO -0.03 -0.30 2.04 -0.63 0.00 0.00 0.00 175.10 176.18 3nnk s ILE 329 N 3.65 3.06 0.29 2.22 1.01 0.40 -4.43 121.20 127.39 3nnk s ILE 329 Ca 0.50 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.25 3nnk s ILE 329 Cb -0.17 -3.05 0.28 0.00 0.01 0.00 0.00 42.46 39.53 3nnk s ILE 329 CO 0.14 -0.02 1.73 -0.65 0.00 0.00 0.00 174.94 176.15 3nnk h PRO 330 N 12.21 0.53 0.00 2.79 0.11 -1.89 -3.48 132.00 142.28 3nnk h PRO 330 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3nnk h PRO 330 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3nnk h PRO 330 CO 0.95 0.35 0.00 0.94 -0.21 0.00 0.00 178.00 180.03 3nnk n GLN 331 N -4.93 0.00 -0.05 1.05 7.27 -1.26 -4.93 117.38 114.53 3nnk n GLN 331 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.28 3nnk n GLN 331 Cb 0.59 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.24 3nnk n GLN 331 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 332 N 0.52 2.51 3.70 1.69 0.00 -1.26 -5.01 105.19 107.34 3nnk n GLY 332 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 333 N -2.92 5.35 -0.35 -0.61 -1.09 -1.26 -5.06 121.20 115.25 3nnk s ILE 333 Ca 0.00 0.32 -0.25 0.00 -2.23 0.00 0.00 60.65 58.49 3nnk s ILE 333 Cb 0.00 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 3nnk s ILE 333 CO 0.00 0.38 0.88 0.21 -1.23 0.00 0.00 174.94 175.18 3nnk s ASN 334 N 0.70 6.67 0.34 3.58 3.84 -1.26 -4.86 114.94 123.95 3nnk s ASN 334 Ca 0.11 0.59 0.04 0.00 0.21 0.00 0.00 52.86 53.81 3nnk s ASN 334 Cb -0.13 -2.45 0.62 0.00 -0.55 0.00 0.00 41.25 38.74 3nnk s ASN 334 CO 0.02 -0.79 1.90 1.23 -2.79 0.00 0.00 177.10 176.68 3nnk h GLY 335 N 9.89 0.63 1.70 1.21 0.00 -1.97 -2.20 103.07 112.32 3nnk h GLY 335 Ca -0.23 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 3nnk h GLY 335 CO 0.95 0.32 -0.29 -0.55 0.00 0.00 0.00 176.54 176.97 3nnk h ASP 336 N 0.57 0.35 -0.27 0.19 3.32 -1.95 -2.80 116.42 115.82 3nnk h ASP 336 Ca 0.13 -0.12 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 3nnk h ASP 336 Cb 0.24 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 3nnk h ASP 336 CO -0.00 0.63 -0.51 -0.61 -1.72 0.00 0.00 179.24 177.03 3nnk h GLN 337 N 0.30 0.85 -0.20 3.56 4.15 -1.82 -1.60 115.11 120.35 3nnk h GLN 337 Ca 0.04 -0.51 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 3nnk h GLN 337 Cb 0.67 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 3nnk h GLN 337 CO 0.05 1.15 0.07 0.00 -1.93 0.00 0.00 178.83 178.17 3nnk h ALA 338 N 0.75 0.26 -0.93 3.38 0.00 -1.48 -1.64 119.26 119.60 3nnk h ALA 338 Ca 0.03 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3nnk h ALA 338 Cb 1.10 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3nnk h ALA 338 CO 0.11 -0.14 0.60 0.00 0.00 0.00 0.00 179.25 179.82 3nnk h ARG 339 N 0.16 1.11 -0.17 0.00 3.08 -1.46 0.97 114.38 118.07 3nnk h ARG 339 Ca 0.06 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3nnk h ARG 339 Cb 0.19 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3nnk h ARG 339 CO -0.00 0.73 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.38 3nnk h LYS 340 N 1.14 0.32 -0.52 0.04 3.64 -1.18 -1.57 116.57 118.44 3nnk h LYS 340 Ca 0.38 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3nnk h LYS 340 Cb 0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3nnk h LYS 340 CO -0.14 0.57 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.43 3nnk h LEU 341 N 0.04 0.96 -0.92 5.20 3.38 -1.10 0.19 115.31 123.07 3nnk h LEU 341 Ca 0.04 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3nnk h LEU 341 Cb 0.44 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3nnk h LEU 341 CO 0.01 1.08 0.42 0.24 0.09 0.00 0.00 178.44 180.28 3nnk h MET 342 N 0.86 1.19 0.00 1.13 2.86 -0.81 -1.15 114.93 119.01 3nnk h MET 342 Ca 0.14 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3nnk h MET 342 Cb 0.65 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3nnk h MET 342 CO 0.05 0.90 -0.01 1.25 1.06 0.00 0.00 176.91 180.16 3nnk h LEU 343 N 1.19 0.00 -0.11 1.22 5.85 -1.02 0.68 115.31 123.12 3nnk h LEU 343 Ca 0.29 -0.71 -0.18 0.00 0.84 0.00 0.00 57.88 58.12 3nnk h LEU 343 Cb 0.09 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3nnk h LEU 343 CO -0.04 0.86 -0.84 -0.33 -0.34 0.00 0.00 178.44 177.76 3nnk h GLU 344 N -1.00 0.00 0.00 1.25 5.08 -0.71 -1.69 114.58 117.51 3nnk h GLU 344 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3nnk h GLU 344 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3nnk h GLU 344 CO -0.00 0.84 -1.85 -0.25 -1.00 0.00 0.00 179.01 176.75 3nnk n ASP 345 N -3.38 0.90 0.00 1.42 9.92 -0.45 -4.63 116.55 120.34 3nnk n ASP 345 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3nnk n ASP 345 Cb 0.85 1.74 0.00 0.00 -0.64 0.00 0.00 41.12 43.07 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3nnk n PHE 346 N -2.16 0.00 -1.30 1.24 3.72 -1.06 -5.01 117.46 112.88 3nnk n PHE 346 Ca -0.05 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.24 3nnk n PHE 346 Cb 0.52 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 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 1.10 1.17 3.26 1.37 0.00 -0.64 -4.90 105.19 106.56 3nnk n GLY 347 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.35 3.23 -0.21 -0.61 1.01 0.17 -0.04 121.20 122.39 3nnk s ILE 348 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 3nnk s ILE 348 Cb 0.00 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3nnk s ILE 348 CO 0.00 0.27 0.57 -0.70 0.00 0.00 0.00 174.94 175.08 3nnk s GLU 349 N 1.41 4.17 0.18 2.79 2.12 -0.28 -2.74 118.70 126.35 3nnk s GLU 349 Ca 0.03 0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.93 3nnk s GLU 349 Cb -0.16 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3nnk s GLU 349 CO -0.03 -0.23 -0.04 0.96 -0.54 0.00 0.00 175.26 175.37 3nnk s ILE 350 N 1.90 3.47 0.16 -3.70 -4.36 -1.26 -0.13 121.20 117.28 3nnk s ILE 350 Ca 0.26 -1.56 -0.18 0.00 -0.26 0.00 0.00 60.65 58.91 3nnk s ILE 350 Cb -0.16 -2.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.74 3nnk s ILE 350 CO 0.10 -0.13 0.64 -0.83 0.24 0.00 0.00 174.94 174.96 3nnk s GLY 351 N -2.94 2.59 0.67 6.27 0.00 0.53 -4.82 107.32 109.63 3nnk s GLY 351 Ca 0.27 0.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.95 3nnk s GLY 351 CO 0.17 0.41 1.01 -1.08 0.00 0.00 0.00 173.10 173.61 3nnk s THR 352 N -1.39 3.25 -0.15 0.90 -1.32 -1.26 0.24 115.64 115.91 3nnk s THR 352 Ca 0.38 0.12 -0.06 0.00 -1.21 0.00 0.00 61.69 60.92 3nnk s THR 352 Cb -0.17 -3.35 -0.04 0.00 -1.51 0.00 0.00 72.50 67.43 3nnk s THR 352 CO 0.20 -0.41 0.05 -0.44 -2.21 0.00 0.00 174.62 171.81 3nnk s SER 353 N -4.38 5.56 0.22 8.08 0.01 -1.15 -4.61 113.70 117.43 3nnk s SER 353 Ca 0.57 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.96 3nnk s SER 353 Cb -0.11 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 3nnk s SER 353 CO 0.48 0.25 0.40 -0.36 0.41 0.00 0.00 173.24 174.42 3nnk s PHE 354 N -0.12 3.48 0.00 2.43 0.08 -1.26 -3.45 117.98 119.14 3nnk s PHE 354 Ca 0.06 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.40 3nnk s PHE 354 Cb -0.12 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 3nnk s PHE 354 CO 0.01 0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.91 3nnk n GLY 355 N -0.87 0.36 0.19 4.36 0.00 -1.26 -3.97 105.19 104.00 3nnk n GLY 355 Ca -0.05 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.30 3nnk n GLY 355 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 356 N 0.00 0.00 -0.27 1.61 0.13 -2.02 -3.00 132.00 128.46 3nnk h PRO 356 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3nnk h PRO 356 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3nnk h PRO 356 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 3nnk n LEU 357 N -2.62 2.90 -4.72 1.56 4.77 -1.25 -4.98 117.00 112.66 3nnk n LEU 357 Ca 0.02 -1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 54.39 3nnk n LEU 357 Cb 0.32 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3nnk n LEU 357 CO 0.25 0.60 1.19 -2.28 -1.33 0.00 0.00 177.39 175.82 3nnk s HIS 358 N -1.66 3.06 0.00 -1.77 2.46 -1.13 -2.06 115.29 114.19 3nnk s HIS 358 Ca 0.36 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.62 3nnk s HIS 358 Cb 0.21 -3.89 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 3nnk s HIS 358 CO 0.30 -3.19 0.00 0.41 -2.47 0.00 0.00 174.74 169.79 3nnk n GLY 359 N 3.38 1.85 0.04 1.59 0.00 -1.26 -4.83 105.19 105.96 3nnk n GLY 359 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 1.67 -4.21 1.61 4.76 -0.87 -4.74 118.16 114.38 3nnk n LYS 360 Ca 0.00 -0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.22 3nnk n LYS 360 Cb 0.00 -1.28 -0.15 0.00 -1.84 0.00 0.00 35.03 31.76 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 -2.43 0.53 0.25 -0.18 1.01 -1.12 -0.46 120.40 118.01 3nnk s VAL 361 Ca -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3nnk s VAL 361 Cb 0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 3nnk s VAL 361 CO 0.45 0.19 0.48 0.26 0.00 0.00 0.00 175.10 176.48 3nnk s TRP 362 N 0.37 3.48 -0.25 5.22 0.51 0.61 -2.94 118.94 125.94 3nnk s TRP 362 Ca -0.05 0.49 0.02 0.00 -2.12 0.00 0.00 56.10 54.45 3nnk s TRP 362 Cb -0.09 -1.98 0.06 0.00 -0.81 0.00 0.00 33.47 30.65 3nnk s TRP 362 CO -0.00 0.26 -0.09 1.03 -0.51 0.00 0.00 176.95 177.65 3nnk s ARG 363 N -3.48 2.00 -0.34 4.98 0.52 0.14 -1.16 118.95 121.61 3nnk s ARG 363 Ca 0.41 -1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 3nnk s ARG 363 Cb -0.11 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.58 3nnk s ARG 363 CO 0.30 -0.59 0.19 0.42 0.02 0.00 0.00 175.30 175.64 3nnk s ILE 364 N 1.20 4.72 0.06 1.52 1.01 -0.80 -0.35 121.20 128.57 3nnk s ILE 364 Ca -0.08 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 3nnk s ILE 364 Cb -0.20 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 3nnk s ILE 364 CO -0.06 -0.07 0.33 -0.83 0.00 0.00 0.00 174.94 174.32 3nnk s GLY 365 N 1.61 2.28 -0.51 6.18 0.00 0.19 -2.00 107.32 115.08 3nnk s GLY 365 Ca 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.28 3nnk s GLY 365 CO 0.07 -0.34 0.34 -0.51 0.00 0.00 0.00 173.10 172.67 3nnk s THR 366 N -1.40 1.48 0.20 0.90 -4.23 0.05 -4.51 115.64 108.13 3nnk s THR 366 Ca 0.32 -3.06 0.08 0.00 -1.18 0.00 0.00 61.69 57.85 3nnk s THR 366 Cb -0.13 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 3nnk s THR 366 CO 0.19 -1.03 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.04 3nnk s MET 367 N -0.24 1.32 0.75 3.99 -1.94 -1.26 -4.46 119.30 117.46 3nnk s MET 367 Ca 0.24 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 3nnk s MET 367 Cb -0.10 -1.21 0.00 0.00 2.01 0.00 0.00 34.83 35.53 3nnk s MET 367 CO -0.11 0.22 0.00 0.41 -0.01 0.00 0.00 175.02 175.53 3nnk n GLY 368 N -0.18 2.23 0.24 -0.03 0.00 -1.24 -0.07 105.19 106.13 3nnk n GLY 368 Ca -0.09 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 0.24 -0.02 1.61 3.20 -1.83 -2.71 116.97 117.47 3nnk h TYR 369 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3nnk h TYR 369 Cb 0.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3nnk h TYR 369 CO 0.00 0.37 0.00 0.09 -1.64 0.00 0.00 178.16 176.98 3nnk n ASN 370 N -4.26 0.84 -3.66 -2.11 3.02 0.89 -4.40 115.26 105.57 3nnk n ASN 370 Ca -0.01 -1.30 -0.42 0.00 -0.03 0.00 0.00 54.58 52.82 3nnk n ASN 370 Cb 0.28 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.34 4.70 -2.33 5.41 0.00 -0.46 -4.35 120.51 123.13 3nnk n ALA 371 Ca 0.21 -3.60 -0.14 0.00 0.00 0.00 0.00 53.44 49.91 3nnk n ALA 371 Cb 0.24 -3.56 -0.10 0.00 0.00 0.00 0.00 19.45 16.03 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 3.89 0.95 0.10 0.00 0.52 -1.26 -4.85 118.95 118.29 3nnk s ARG 372 Ca 0.52 -1.32 -0.20 0.00 -0.52 0.00 0.00 55.73 54.21 3nnk s ARG 372 Cb 0.14 -0.54 -0.08 0.00 0.52 0.00 0.00 34.95 34.99 3nnk s ARG 372 CO -0.00 0.07 1.65 -0.22 0.02 0.00 0.00 175.30 176.81 3nnk h LYS 373 N 3.13 0.32 0.00 3.54 3.64 -1.98 -2.78 116.57 122.44 3nnk h LYS 373 Ca -0.37 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 3nnk h LYS 373 Cb 1.19 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3nnk h LYS 373 CO 0.59 0.36 -0.05 0.38 -2.27 0.00 0.00 179.45 178.47 3nnk h ASP 374 N 0.20 0.00 0.29 4.20 2.03 -1.97 0.85 116.42 122.02 3nnk h ASP 374 Ca 0.07 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.16 3nnk h ASP 374 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 3nnk h ASP 374 CO -0.01 0.05 -0.87 0.00 -1.03 0.00 0.00 179.24 177.38 3nnk h VAL 376 N 0.26 1.46 -0.01 0.00 2.07 -0.85 -2.88 116.25 116.30 3nnk h VAL 376 Ca -0.06 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 65.66 3nnk h VAL 376 Cb 1.49 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 3nnk h VAL 376 CO 0.15 0.51 -0.03 0.24 0.02 0.00 0.00 177.57 178.46 3nnk h MET 377 N -0.28 -0.06 -0.79 1.57 2.07 -1.03 -1.30 114.93 115.11 3nnk h MET 377 Ca -0.03 0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.65 3nnk h MET 377 Cb 0.99 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.68 3nnk h MET 377 CO 0.06 -0.04 0.49 1.15 1.07 0.00 0.00 176.91 179.65 3nnk h THR 378 N -0.06 1.08 -0.26 2.22 2.02 -1.58 -2.07 112.91 114.25 3nnk h THR 378 Ca 0.02 -0.32 -0.17 0.00 0.77 0.00 0.00 66.41 66.71 3nnk h THR 378 Cb 0.08 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3nnk h THR 378 CO -0.05 0.17 -0.48 0.74 0.37 0.00 0.00 175.52 176.27 3nnk h THR 379 N 0.93 1.29 -0.49 3.16 2.02 -1.38 -1.52 112.91 116.93 3nnk h THR 379 Ca 0.33 -1.68 -0.06 0.00 0.77 0.00 0.00 66.41 65.77 3nnk h THR 379 Cb 0.08 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3nnk h THR 379 CO -0.14 0.54 0.08 -0.07 0.37 0.00 0.00 175.52 176.30 3nnk h LEU 380 N 0.54 0.78 -0.85 2.58 3.38 -1.05 0.31 115.31 121.00 3nnk h LEU 380 Ca 0.01 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 3nnk h LEU 380 Cb 1.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3nnk h LEU 380 CO 0.11 0.84 -0.51 0.77 0.09 0.00 0.00 178.44 179.74 3nnk h SER 381 N 0.69 0.18 -0.07 -0.43 4.64 -1.41 -1.87 113.55 115.28 3nnk h SER 381 Ca 0.15 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3nnk h SER 381 Cb 0.40 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3nnk h SER 381 CO 0.01 0.66 -0.07 0.00 -0.87 0.00 0.00 176.83 176.56 3nnk h ALA 382 N 1.35 0.10 -0.39 5.18 0.00 -1.06 -2.16 119.26 122.28 3nnk h ALA 382 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3nnk h ALA 382 Cb 0.95 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3nnk h ALA 382 CO 0.07 -0.09 0.22 1.25 0.00 0.00 0.00 179.25 180.71 3nnk h LEU 383 N -0.27 0.48 -0.59 0.00 6.46 -0.94 -2.16 115.31 118.28 3nnk h LEU 383 Ca 0.01 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 3nnk h LEU 383 Cb 0.59 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 3nnk h LEU 383 CO 0.02 0.41 0.31 -0.08 -0.62 0.00 0.00 178.44 178.48 3nnk h GLU 384 N 0.50 0.84 -0.52 1.25 4.81 -1.40 -1.23 114.58 118.82 3nnk h GLU 384 Ca 0.14 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3nnk h GLU 384 Cb 0.03 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3nnk h GLU 384 CO -0.02 0.66 0.28 0.00 -0.73 0.00 0.00 179.01 179.19 3nnk h ALA 385 N 1.14 1.50 -0.10 2.92 0.00 -1.25 -1.36 119.26 122.11 3nnk h ALA 385 Ca 0.21 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3nnk h ALA 385 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3nnk h ALA 385 CO -0.03 0.41 -0.32 0.28 0.00 0.00 0.00 179.25 179.59 3nnk h VAL 386 N 0.73 1.39 -0.51 0.00 2.07 -0.96 -2.36 116.25 116.62 3nnk h VAL 386 Ca 0.19 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 3nnk h VAL 386 Cb 0.04 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3nnk h VAL 386 CO -0.03 0.49 0.09 -0.07 0.02 0.00 0.00 177.57 178.06 3nnk h LEU 387 N -0.05 0.80 -1.10 2.57 3.38 -1.10 -1.06 115.31 118.75 3nnk h LEU 387 Ca -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3nnk h LEU 387 Cb 0.95 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3nnk h LEU 387 CO 0.07 0.86 0.26 0.78 0.09 0.00 0.00 178.44 180.50 3nnk h ASN 388 N 0.72 0.82 0.15 -0.43 2.35 -1.33 0.82 115.58 118.67 3nnk h ASN 388 Ca 0.15 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3nnk h ASN 388 Cb 0.39 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3nnk h ASN 388 CO 0.01 0.72 -0.25 0.22 -1.65 0.00 0.00 177.43 176.49 3nnk h TYR 389 N 0.89 0.18 -0.41 1.19 -0.00 -1.07 -2.00 116.97 115.75 3nnk h TYR 389 Ca 0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.91 3nnk h TYR 389 Cb 0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 36.83 3nnk h TYR 389 CO 0.01 0.41 0.00 1.28 -0.00 0.00 0.00 178.16 179.86 3nnk n LEU 390 N -4.19 3.68 -2.93 2.82 4.32 -0.43 -4.93 117.00 115.34 3nnk n LEU 390 Ca -0.01 -1.86 -0.20 0.00 -0.02 0.00 0.00 56.01 53.91 3nnk n LEU 390 Cb 0.34 -0.54 0.05 0.00 -1.62 0.00 0.00 43.42 41.65 3nnk n LEU 390 CO 0.39 0.54 0.11 0.29 -1.22 0.00 0.00 177.39 177.50 3nnk n LYS 391 N 0.55 -5.66 -3.35 3.23 5.02 -0.71 -4.98 118.16 112.26 3nnk n LYS 391 Ca 0.18 0.76 -0.43 0.00 -2.02 0.00 0.00 58.31 56.79 3nnk n LYS 391 Cb 0.74 -5.43 -0.09 0.00 -0.02 0.00 0.00 35.03 30.23 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 -3.19 3.19 0.22 2.13 5.36 0.20 -5.00 117.98 120.89 3nnk s PHE 392 Ca 0.39 -0.50 -0.31 0.00 -0.96 0.00 0.00 56.93 55.56 3nnk s PHE 392 Cb -0.17 -2.89 -0.10 0.00 -0.34 0.00 0.00 43.02 39.52 3nnk s PHE 392 CO 0.48 -0.70 1.50 -2.14 -1.46 0.00 0.00 175.22 172.90 3nnk s PRO 393 N 2.00 4.23 0.15 10.12 0.02 -1.26 -3.88 135.00 146.38 3nnk s PRO 393 Ca 0.10 2.35 0.05 0.00 0.02 0.00 0.00 61.00 63.52 3nnk s PRO 393 Cb -0.18 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 3nnk s PRO 393 CO 0.12 -0.51 -0.12 0.95 -0.33 0.00 0.00 177.00 177.11 3nnk s THR 394 N 0.42 1.31 -0.43 0.99 -4.23 -1.26 -5.01 115.64 107.42 3nnk s THR 394 Ca 0.64 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 3nnk s THR 394 Cb -0.43 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 71.63 3nnk s THR 394 CO 0.39 -0.64 1.20 -0.89 -0.54 0.00 0.00 174.62 174.14 3nnk s THR 395 N -2.98 4.18 -0.13 3.99 2.01 -1.26 -4.96 115.64 116.50 3nnk s THR 395 Ca 0.16 1.24 -0.40 0.00 0.31 0.00 0.00 61.69 63.00 3nnk s THR 395 Cb 0.00 -4.47 -0.18 0.00 0.01 0.00 0.00 72.50 67.86 3nnk s THR 395 CO 0.02 -0.85 1.43 1.67 -0.69 0.00 0.00 174.62 176.20 3nnk n GLN 396 N 7.72 0.68 0.00 4.92 7.27 -1.26 -2.15 117.38 134.56 3nnk n GLN 396 Ca 0.13 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.45 3nnk n GLN 396 Cb 0.48 -1.84 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 2.97 2.83 0.34 1.69 0.00 -1.26 -4.87 105.19 106.88 3nnk n GLY 397 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 1.12 -0.43 4.61 0.00 -1.78 -0.33 119.26 122.44 3nnk h ALA 398 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3nnk h ALA 398 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3nnk h ALA 398 CO 0.00 0.64 0.28 0.00 0.00 0.00 0.00 179.25 180.17 3nnk h ALA 399 N 1.24 0.55 0.00 0.00 0.00 -1.75 -1.47 119.26 117.83 3nnk h ALA 399 Ca 0.26 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3nnk h ALA 399 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3nnk h ALA 399 CO -0.02 0.02 -0.53 0.52 0.00 0.00 0.00 179.25 179.23 3nnk h MET 400 N 0.59 0.00 -0.18 0.00 2.86 -1.83 -2.96 114.93 113.40 3nnk h MET 400 Ca 0.16 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3nnk h MET 400 Cb -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3nnk h MET 400 CO -0.03 0.53 0.08 0.37 1.06 0.00 0.00 176.91 178.91 3nnk h GLN 401 N 0.00 0.27 -0.54 1.72 5.75 -0.63 -0.14 115.11 121.54 3nnk h GLN 401 Ca -0.01 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 3nnk h GLN 401 Cb 1.22 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 3nnk h GLN 401 CO 0.07 0.33 0.12 0.00 -2.65 0.00 0.00 178.83 176.70 3nnk h ALA 402 N 0.93 1.20 -0.09 3.38 0.00 -1.30 0.77 119.26 124.14 3nnk h ALA 402 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3nnk h ALA 402 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3nnk h ALA 402 CO -0.01 0.55 0.03 0.00 0.00 0.00 0.00 179.25 179.82 3nnk h ALA 403 N 1.33 0.12 -0.77 0.00 0.00 -1.37 -2.16 119.26 116.41 3nnk h ALA 403 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3nnk h ALA 403 Cb 0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3nnk h ALA 403 CO 0.00 -0.28 0.40 -1.49 0.00 0.00 0.00 179.25 177.88 3nnk h TRP 404 N -0.04 1.08 -0.79 0.00 6.55 -0.78 -2.52 115.95 119.45 3nnk h TRP 404 Ca 0.03 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.81 3nnk h TRP 404 Cb 0.21 -0.34 -0.04 0.00 -0.86 0.00 0.00 29.16 28.13 3nnk h TRP 404 CO -0.01 0.77 0.40 -0.44 -1.05 0.00 0.00 178.44 178.12 3nnk h ASP 405 N 1.07 1.00 -0.34 -3.49 3.32 -0.77 0.12 116.42 117.34 3nnk h ASP 405 Ca 0.27 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3nnk h ASP 405 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3nnk h ASP 405 CO -0.04 0.83 0.00 -0.74 -1.72 0.00 0.00 179.24 177.57 3nnk h HIS 406 N 1.11 0.64 0.00 4.55 2.76 -1.28 -1.42 115.15 121.51 3nnk h HIS 406 Ca 0.27 -0.11 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 3nnk h HIS 406 Cb 0.07 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3nnk h HIS 406 CO 0.01 0.70 -0.35 1.88 -1.30 0.00 0.00 177.93 178.87 3nnk h TYR 407 N 0.40 0.00 -0.12 5.26 0.05 -1.08 -2.30 116.97 119.19 3nnk h TYR 407 Ca 0.10 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.74 3nnk h TYR 407 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3nnk h TYR 407 CO 0.04 0.35 -0.44 0.00 -1.05 0.00 0.00 178.16 177.05 3nnk h ARG 408 N 0.00 0.51 0.00 4.88 -0.00 -0.64 -3.32 114.38 115.81 3nnk h ARG 408 Ca -0.00 -0.39 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 3nnk h ARG 408 Cb 0.63 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.68 3nnk h ARG 408 CO 0.05 1.02 0.00 0.77 0.00 0.00 0.00 179.97 181.80 3nnk h SER 409 N 0.11 0.00 0.03 7.04 0.02 -1.16 -3.23 113.55 116.36 3nnk h SER 409 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3nnk h SER 409 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3nnk h SER 409 CO 0.09 0.00 -0.04 -0.62 -1.14 0.00 0.00 176.83 175.12 3nnk n GLU 410 N -2.76 1.48 0.00 3.45 1.02 -0.87 -5.09 120.64 117.86 3nnk n GLU 410 Ca 0.04 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 3nnk n GLU 410 Cb 0.44 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 3nnk n GLU 410 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20