#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk h ILE 3 N 0.00 1.16 0.00 5.18 6.09 -2.08 -3.21 117.51 124.65 3nnk h ILE 3 Ca 0.00 -2.18 -0.00 0.00 -1.37 0.00 0.00 64.86 61.30 3nnk h ILE 3 Cb 0.00 2.27 -0.00 0.00 0.47 0.00 0.00 36.82 39.56 3nnk h ILE 3 CO 0.00 0.57 -0.02 0.71 -3.07 0.00 0.00 178.15 176.34 3nnk h THR 4 N 0.00 0.11 -0.41 2.19 1.35 -2.10 -1.43 112.91 112.62 3nnk h THR 4 Ca -0.01 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3nnk h THR 4 Cb 1.22 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3nnk h THR 4 CO 0.08 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.36 3nnk n GLN 5 N -3.21 2.09 -3.46 4.72 10.64 -1.21 -4.63 117.38 122.31 3nnk n GLN 5 Ca -0.02 -1.68 -0.43 0.00 -1.83 0.00 0.00 57.00 53.04 3nnk n GLN 5 Cb 0.16 -1.40 -0.05 0.00 -0.86 0.00 0.00 30.24 28.09 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 -1.46 3.57 0.88 2.61 0.40 -0.54 -5.08 117.98 118.36 3nnk s PHE 6 Ca 0.33 -2.10 -0.13 0.00 -0.60 0.00 0.00 56.93 54.43 3nnk s PHE 6 Cb 0.18 -3.61 0.15 0.00 0.51 0.00 0.00 43.02 40.25 3nnk s PHE 6 CO 0.24 -0.95 1.24 -1.54 0.70 0.00 0.00 175.22 174.90 3nnk s SER 7 N 1.99 3.73 0.90 1.36 1.04 -1.26 -5.04 113.70 116.43 3nnk s SER 7 Ca 0.14 0.40 -0.10 0.00 0.48 0.00 0.00 55.95 56.87 3nnk s SER 7 Cb -0.17 -0.64 0.14 0.00 0.10 0.00 0.00 66.02 65.45 3nnk s SER 7 CO -0.05 -2.35 1.16 0.00 0.98 0.00 0.00 173.24 172.98 3nnk s GLN 8 N -5.71 1.07 0.23 4.02 -2.07 -1.26 -4.91 119.66 111.04 3nnk s GLN 8 Ca 0.69 1.59 -0.31 0.00 -1.82 0.00 0.00 55.36 55.50 3nnk s GLN 8 Cb -0.07 -1.73 -0.11 0.00 -1.09 0.00 0.00 33.01 30.01 3nnk s GLN 8 CO 0.51 -2.60 1.65 -1.17 -1.32 0.00 0.00 175.29 172.35 3nnk s LEU 9 N -6.51 4.36 -0.48 2.60 1.98 -1.26 -4.96 118.68 114.41 3nnk s LEU 9 Ca 0.68 2.85 0.06 0.00 -2.89 0.00 0.00 54.13 54.83 3nnk s LEU 9 Cb -0.24 -3.61 0.22 0.00 0.66 0.00 0.00 46.19 43.23 3nnk s LEU 9 CO 0.57 -0.92 0.78 -3.20 -1.89 0.00 0.00 176.35 171.69 3nnk n ASN 10 N 3.32 -2.59 -4.74 3.68 4.05 -1.26 -5.14 115.26 112.58 3nnk n ASN 10 Ca 0.13 -3.09 -0.41 0.00 0.45 0.00 0.00 54.58 51.66 3nnk n ASN 10 Cb 0.37 1.42 -0.05 0.00 1.23 0.00 0.00 39.78 42.75 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 0.50 4.71 0.70 1.20 0.04 -1.26 -5.01 135.00 135.88 3nnk s PRO 11 Ca 0.32 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 3nnk s PRO 11 Cb 0.16 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.41 3nnk s PRO 11 CO -0.18 0.27 1.17 -1.25 0.04 0.00 0.00 177.00 177.04 3nnk s PRO 12 N -0.57 2.40 0.11 0.56 0.04 -1.26 -4.93 135.00 131.36 3nnk s PRO 12 Ca 0.46 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 3nnk s PRO 12 Cb -0.26 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 3nnk s PRO 12 CO 0.33 -1.60 1.67 0.45 0.04 0.00 0.00 177.00 177.88 3nnk s SER 13 N -2.25 6.55 -0.02 6.66 0.15 -1.26 -5.00 113.70 118.53 3nnk s SER 13 Ca 0.71 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.96 3nnk s SER 13 Cb -0.25 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.50 3nnk s SER 13 CO 0.44 -0.90 -0.00 -0.13 1.20 0.00 0.00 173.24 173.85 3nnk s ARG 14 N 2.16 0.25 -0.47 5.44 1.81 -1.26 -4.79 118.95 122.09 3nnk s ARG 14 Ca 0.74 0.05 -0.18 0.00 -1.72 0.00 0.00 55.73 54.62 3nnk s ARG 14 Cb -0.43 -0.40 0.04 0.00 -0.45 0.00 0.00 34.95 33.71 3nnk s ARG 14 CO 0.33 -0.10 0.54 -1.17 -0.68 0.00 0.00 175.30 174.22 3nnk s LEU 15 N 0.80 4.94 -0.65 2.53 2.96 0.19 -4.91 118.68 124.54 3nnk s LEU 15 Ca -0.08 -0.81 -0.22 0.00 -0.22 0.00 0.00 54.13 52.80 3nnk s LEU 15 Cb -0.11 -2.44 0.07 0.00 0.50 0.00 0.00 46.19 44.21 3nnk s LEU 15 CO -0.01 -0.75 0.95 -0.76 -1.32 0.00 0.00 176.35 174.45 3nnk s LEU 16 N 2.40 4.42 -0.30 -0.68 1.43 -1.26 -0.42 118.68 124.27 3nnk s LEU 16 Ca 0.14 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.34 3nnk s LEU 16 Cb -0.18 -2.44 0.46 0.00 0.03 0.00 0.00 46.19 44.05 3nnk s LEU 16 CO 0.13 -1.41 1.29 0.23 0.23 0.00 0.00 176.35 176.82 3nnk n MET 17 N 7.61 2.85 0.00 1.70 2.81 0.15 -4.42 117.12 127.83 3nnk n MET 17 Ca -0.04 -3.78 0.00 0.00 -1.81 0.00 0.00 57.70 52.07 3nnk n MET 17 Cb 0.45 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 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 -0.87 2.60 0.00 3.03 0.00 -1.08 -0.47 105.19 108.39 3nnk n GLY 18 Ca 0.38 -2.03 0.13 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 0.73 0.00 1.61 -0.04 -1.25 -2.86 135.00 133.19 3nnk n PRO 19 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3nnk n PRO 19 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.62 3.19 3.77 0.55 0.00 -1.26 -4.93 105.19 107.13 3nnk n GLY 20 Ca 0.18 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.16 3.42 0.38 1.61 0.04 -1.26 -5.14 135.00 130.89 3nnk s PRO 21 Ca 0.00 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.84 3nnk s PRO 21 Cb 0.00 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3nnk s PRO 21 CO 0.00 -0.82 0.31 0.96 0.04 0.00 0.00 177.00 177.49 3nnk s ILE 22 N -1.65 2.95 0.27 0.56 -5.25 -0.88 -4.85 121.20 112.35 3nnk s ILE 22 Ca 0.70 -1.41 -0.31 0.00 -0.99 0.00 0.00 60.65 58.65 3nnk s ILE 22 Cb -0.27 -3.06 -0.13 0.00 2.95 0.00 0.00 42.46 41.96 3nnk s ILE 22 CO 0.31 -0.07 1.47 0.59 -1.79 0.00 0.00 174.94 175.45 3nnk n ASN 23 N -1.43 3.17 -4.80 4.36 5.03 -1.26 -4.89 115.26 115.44 3nnk n ASN 23 Ca 0.01 1.15 -0.33 0.00 0.87 0.00 0.00 54.58 56.27 3nnk n ASN 23 Cb 0.61 -1.49 -0.02 0.00 -1.02 0.00 0.00 39.78 37.86 3nnk n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3nnk s ALA 24 N -0.10 2.84 0.16 5.41 0.00 -1.26 -4.42 121.76 124.40 3nnk s ALA 24 Ca 0.66 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 3nnk s ALA 24 Cb -0.59 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 3nnk s ALA 24 CO 0.50 -0.46 1.52 0.34 0.00 0.00 0.00 175.76 177.66 3nnk s ASP 25 N -2.32 6.63 0.59 0.00 -1.08 -0.60 -4.91 116.67 114.99 3nnk s ASP 25 Ca 0.65 2.57 0.29 0.00 -0.52 0.00 0.00 52.55 55.54 3nnk s ASP 25 Cb -0.16 -2.60 1.66 0.00 -1.46 0.00 0.00 42.92 40.36 3nnk s ASP 25 CO 0.26 -0.78 2.10 -0.65 0.52 0.00 0.00 175.17 176.61 3nnk h PRO 26 N 6.63 0.00 -0.47 4.34 0.11 -1.95 -0.15 132.00 140.50 3nnk h PRO 26 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 3nnk h PRO 26 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3nnk h PRO 26 CO 0.89 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 178.56 3nnk h ARG 27 N 0.00 0.88 -0.11 1.05 -0.00 -1.96 -1.91 114.38 112.33 3nnk h ARG 27 Ca 0.09 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.98 59.24 3nnk h ARG 27 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.40 3nnk h ARG 27 CO -0.00 0.95 0.02 0.28 0.00 0.00 0.00 179.97 181.21 3nnk h VAL 28 N 0.79 1.22 -0.30 2.04 2.07 -1.35 -2.58 116.25 118.14 3nnk h VAL 28 Ca 0.13 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3nnk h VAL 28 Cb 0.64 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3nnk h VAL 28 CO 0.04 0.20 0.15 -0.07 0.02 0.00 0.00 177.57 177.92 3nnk h LEU 29 N -0.05 0.22 -0.49 2.57 3.38 -1.39 -2.39 115.31 117.16 3nnk h LEU 29 Ca 0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3nnk h LEU 29 Cb 0.30 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3nnk h LEU 29 CO 0.00 0.17 0.31 0.03 0.09 0.00 0.00 178.44 179.04 3nnk h ARG 30 N 0.31 0.62 -0.11 1.13 3.08 -1.39 -2.36 114.38 115.65 3nnk h ARG 30 Ca 0.13 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3nnk h ARG 30 Cb 0.04 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3nnk h ARG 30 CO -0.09 0.41 0.10 0.00 -1.07 0.00 0.00 179.97 179.32 3nnk h ALA 31 N 1.19 1.88 0.00 0.04 0.00 -1.11 -1.02 119.26 120.25 3nnk h ALA 31 Ca 0.19 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3nnk h ALA 31 Cb -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3nnk h ALA 31 CO -0.06 -0.16 -0.38 0.52 0.00 0.00 0.00 179.25 179.18 3nnk h MET 32 N 0.00 0.00 0.00 0.00 2.86 -0.92 -2.88 114.93 113.98 3nnk h MET 32 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3nnk h MET 32 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3nnk h MET 32 CO -0.00 0.38 0.00 -1.13 1.06 0.00 0.00 176.91 177.21 3nnk n SER 33 N -3.53 0.00 -4.76 1.22 3.41 -0.39 -4.88 113.62 104.69 3nnk n SER 33 Ca -0.00 -0.62 -0.36 0.00 -0.26 0.00 0.00 58.87 57.63 3nnk n SER 33 Cb 0.51 -0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.20 5.55 0.80 4.04 0.15 -1.09 -5.00 113.70 115.94 3nnk s SER 34 Ca 0.37 2.33 -0.10 0.00 0.70 0.00 0.00 55.95 59.24 3nnk s SER 34 Cb 0.19 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.98 3nnk s SER 34 CO 0.36 -1.35 1.10 -1.58 1.20 0.00 0.00 173.24 172.97 3nnk s GLN 35 N -3.18 2.06 0.39 5.44 0.74 -1.26 -4.98 119.66 118.87 3nnk s GLN 35 Ca 0.73 1.22 0.04 0.00 0.05 0.00 0.00 55.36 57.40 3nnk s GLN 35 Cb -0.29 -1.87 -0.00 0.00 1.10 0.00 0.00 33.01 31.95 3nnk s GLN 35 CO 0.32 -1.80 0.56 -0.51 -0.55 0.00 0.00 175.29 173.31 3nnk s LEU 36 N -6.03 3.82 0.26 3.68 1.43 -1.26 -5.05 118.68 115.53 3nnk s LEU 36 Ca 0.62 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 3nnk s LEU 36 Cb -0.18 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.10 3nnk s LEU 36 CO 0.56 -0.57 0.09 0.27 0.23 0.00 0.00 176.35 176.93 3nnk s ILE 37 N -2.34 0.64 0.64 -0.59 -0.00 -1.26 -5.15 121.20 113.15 3nnk s ILE 37 Ca 0.47 -2.00 -0.17 0.00 -0.00 0.00 0.00 60.65 58.95 3nnk s ILE 37 Cb -0.10 -2.63 -0.01 0.00 -0.00 0.00 0.00 42.46 39.73 3nnk s ILE 37 CO 0.34 -0.03 1.19 -0.83 -0.00 0.00 0.00 174.94 175.61 3nnk s GLY 38 N -3.33 2.53 0.42 6.27 0.00 -1.26 -4.93 107.32 107.03 3nnk s GLY 38 Ca 0.37 0.89 0.12 0.00 0.00 0.00 0.00 44.72 46.11 3nnk s GLY 38 CO 0.13 1.28 1.98 -1.61 0.00 0.00 0.00 173.10 174.89 3nnk h GLN 39 N 0.40 0.45 -0.09 2.90 4.15 -2.01 -2.79 115.11 118.11 3nnk h GLN 39 Ca -0.49 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 3nnk h GLN 39 Cb 1.29 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 3nnk h GLN 39 CO 0.53 0.30 -0.04 0.66 -1.93 0.00 0.00 178.83 178.34 3nnk n TYR 40 N -4.47 0.32 -2.14 3.99 4.01 -1.26 -4.69 117.16 112.92 3nnk n TYR 40 Ca 0.10 -1.04 -0.41 0.00 -0.16 0.00 0.00 57.90 56.39 3nnk n TYR 40 Cb 0.34 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 39.12 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 -2.63 6.81 0.61 7.72 -1.08 -1.05 -4.90 116.67 122.15 3nnk s ASP 41 Ca 0.36 2.64 0.29 0.00 -0.52 0.00 0.00 52.55 55.31 3nnk s ASP 41 Cb 0.31 -2.64 1.57 0.00 -1.46 0.00 0.00 42.92 40.69 3nnk s ASP 41 CO 0.04 -0.52 1.87 -0.65 0.52 0.00 0.00 175.17 176.43 3nnk h PRO 42 N 3.70 0.00 0.17 4.34 0.11 -1.95 0.17 132.00 138.54 3nnk h PRO 42 Ca -0.48 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.33 3nnk h PRO 42 Cb 1.22 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.36 3nnk h PRO 42 CO 0.67 0.00 -1.31 0.00 -0.21 0.00 0.00 178.00 177.15 3nnk h ALA 43 N 1.40 -0.01 -0.38 -0.75 0.00 -1.94 -2.51 119.26 115.07 3nnk h ALA 43 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 3nnk h ALA 43 Cb 0.58 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3nnk h ALA 43 CO 0.00 0.79 0.09 1.98 0.00 0.00 0.00 179.25 182.11 3nnk h MET 44 N 0.16 0.62 -0.47 0.00 -1.53 -1.23 -1.00 114.93 111.48 3nnk h MET 44 Ca -0.19 -0.15 -0.11 0.00 -3.44 0.00 0.00 59.70 55.80 3nnk h MET 44 Cb 2.01 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 32.96 3nnk h MET 44 CO 0.24 0.66 -0.16 1.79 0.14 0.00 0.00 176.91 179.58 3nnk h THR 45 N 0.48 1.27 -0.47 -0.77 1.35 -1.58 -1.32 112.91 111.87 3nnk h THR 45 Ca 0.12 -1.28 -0.05 0.00 -0.55 0.00 0.00 66.41 64.64 3nnk h THR 45 Cb 0.32 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 3nnk h THR 45 CO 0.00 0.44 0.10 -0.74 -0.25 0.00 0.00 175.52 175.07 3nnk h HIS 46 N 0.79 0.81 -0.26 4.73 6.17 -1.36 -0.87 115.15 125.16 3nnk h HIS 46 Ca 0.12 -0.11 -0.05 0.00 0.71 0.00 0.00 60.37 61.04 3nnk h HIS 46 Cb 0.69 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.38 3nnk h HIS 46 CO 0.04 0.75 -0.06 1.88 0.71 0.00 0.00 177.93 181.24 3nnk h TYR 47 N 0.64 0.42 -0.41 5.26 0.99 -1.05 -1.06 116.97 121.77 3nnk h TYR 47 Ca 0.15 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 3nnk h TYR 47 Cb 0.36 -0.12 -0.02 0.00 1.00 0.00 0.00 36.73 37.95 3nnk h TYR 47 CO 0.02 0.48 0.04 0.52 -0.00 0.00 0.00 178.16 179.22 3nnk h MET 48 N 0.39 0.69 -0.73 4.88 2.86 -0.92 -1.53 114.93 120.57 3nnk h MET 48 Ca 0.08 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3nnk h MET 48 Cb 0.36 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3nnk h MET 48 CO 0.02 0.76 0.48 -0.91 1.06 0.00 0.00 176.91 178.31 3nnk h ASN 49 N 0.53 0.80 -0.32 1.22 -0.26 -0.77 -2.21 115.58 114.58 3nnk h ASN 49 Ca 0.12 -0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 3nnk h ASN 49 Cb 0.42 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 3nnk h ASN 49 CO 0.01 0.57 -0.02 -0.33 -1.06 0.00 0.00 177.43 176.60 3nnk h GLU 50 N 0.95 0.69 -0.49 0.81 5.08 -1.07 -2.62 114.58 117.93 3nnk h GLU 50 Ca 0.28 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3nnk h GLU 50 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3nnk h GLU 50 CO -0.08 0.72 0.08 0.28 -1.00 0.00 0.00 179.01 179.00 3nnk h VAL 51 N 0.64 1.25 0.34 3.13 2.07 -0.96 -1.44 116.25 121.28 3nnk h VAL 51 Ca 0.13 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3nnk h VAL 51 Cb 0.43 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3nnk h VAL 51 CO 0.02 0.33 -0.30 0.24 0.02 0.00 0.00 177.57 177.88 3nnk h MET 52 N 0.68 -0.63 -0.59 1.57 2.86 -1.20 -2.28 114.93 115.34 3nnk h MET 52 Ca 0.15 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 3nnk h MET 52 Cb 0.39 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 3nnk h MET 52 CO 0.01 -0.42 0.29 0.00 1.06 0.00 0.00 176.91 177.85 3nnk h ALA 53 N -0.10 0.77 -0.47 6.32 0.00 -1.46 -2.47 119.26 121.85 3nnk h ALA 53 Ca -0.02 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 53 Cb 0.58 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3nnk h ALA 53 CO -0.03 -0.07 0.23 -0.07 0.00 0.00 0.00 179.25 179.30 3nnk h LEU 54 N 0.54 0.31 -0.69 0.00 3.38 -1.06 -2.48 115.31 115.30 3nnk h LEU 54 Ca 0.27 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3nnk h LEU 54 Cb 0.21 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3nnk h LEU 54 CO -0.20 0.22 -0.00 1.88 0.09 0.00 0.00 178.44 180.43 3nnk h TYR 55 N 0.45 0.00 -0.37 1.13 0.05 -1.21 -1.74 116.97 115.28 3nnk h TYR 55 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3nnk h TYR 55 Cb 0.13 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 3nnk h TYR 55 CO -0.11 0.00 0.23 0.00 -1.05 0.00 0.00 178.16 177.23 3nnk h ARG 56 N 0.00 0.49 -0.05 4.88 3.08 -0.98 0.38 114.38 122.18 3nnk h ARG 56 Ca -0.00 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 59.79 3nnk h ARG 56 Cb 0.77 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.72 3nnk h ARG 56 CO 0.00 0.34 -0.88 0.78 -1.07 0.00 0.00 179.97 179.14 3nnk h GLY 57 N 0.53 0.64 0.44 0.04 0.00 -1.18 -0.08 103.07 103.46 3nnk h GLY 57 Ca 0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 3nnk h GLY 57 CO -0.03 0.90 -0.08 -2.08 0.00 0.00 0.00 176.54 175.25 3nnk h VAL 58 N 0.36 1.49 0.00 4.60 2.07 -1.04 -3.17 116.25 120.56 3nnk h VAL 58 Ca -0.08 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3nnk h VAL 58 Cb 1.51 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 3nnk h VAL 58 CO 0.16 0.42 0.00 -0.26 0.02 0.00 0.00 177.57 177.92 3nnk h PHE 59 N -0.51 0.00 -4.70 1.57 0.04 -0.38 -3.47 116.94 109.48 3nnk h PHE 59 Ca -0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 3nnk h PHE 59 Cb 0.73 0.00 0.12 0.00 2.20 0.00 0.00 35.95 39.00 3nnk h PHE 59 CO 0.15 0.00 -0.55 0.54 -0.60 0.00 0.00 178.31 177.85 3nnk n ARG 60 N -2.99 -5.40 -4.28 1.51 5.12 -0.64 -3.00 116.66 106.97 3nnk n ARG 60 Ca 0.00 0.63 -0.16 0.00 -1.93 0.00 0.00 57.85 56.40 3nnk n ARG 60 Cb 0.27 -5.04 -0.10 0.00 -1.16 0.00 0.00 32.46 26.43 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 -3.26 1.35 -2.55 0.55 -1.32 -0.14 -3.58 115.64 106.70 3nnk s THR 61 Ca 0.18 -2.06 0.23 0.00 -1.21 0.00 0.00 61.69 58.83 3nnk s THR 61 Cb -0.08 -1.86 0.39 0.00 -1.51 0.00 0.00 72.50 69.44 3nnk s THR 61 CO 0.55 -0.66 1.38 -0.62 -2.21 0.00 0.00 174.62 173.05 3nnk n GLU 62 N -0.16 2.49 -1.68 7.08 1.02 -1.26 -4.60 120.64 123.53 3nnk n GLU 62 Ca -0.10 -2.25 -0.52 0.00 -0.02 0.00 0.00 57.16 54.27 3nnk n GLU 62 Cb 0.60 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.48 2.76 -0.13 1.62 3.02 -1.26 -4.89 115.26 117.87 3nnk n ASN 63 Ca 0.19 1.04 -0.07 0.00 -0.03 0.00 0.00 54.58 55.71 3nnk n ASN 63 Cb 0.61 -1.26 0.01 0.00 -0.61 0.00 0.00 39.78 38.53 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 7.53 0.48 -4.51 3.52 2.43 -1.95 -3.34 114.38 118.54 3nnk h ARG 64 Ca -0.47 -0.03 -0.75 0.00 -0.81 0.00 0.00 59.98 57.92 3nnk h ARG 64 Cb 1.30 -0.11 -0.20 0.00 -0.42 0.00 0.00 29.97 30.54 3nnk h ARG 64 CO 0.93 0.32 1.21 0.91 -1.51 0.00 0.00 179.97 181.83 3nnk n TRP 65 N -4.85 5.00 -4.07 2.20 7.02 -1.26 -4.91 117.44 116.57 3nnk n TRP 65 Ca 0.01 -3.45 -0.32 0.00 -1.02 0.00 0.00 57.50 52.72 3nnk n TRP 65 Cb 0.06 -2.10 -0.16 0.00 -2.42 0.00 0.00 31.31 26.69 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 1.02 1.99 0.15 -0.99 2.01 -1.25 -0.54 115.64 118.03 3nnk s THR 66 Ca 0.41 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 3nnk s THR 66 Cb -0.04 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.48 3nnk s THR 66 CO -0.01 0.20 0.24 1.15 -0.69 0.00 0.00 174.62 175.51 3nnk n MET 67 N 4.56 0.34 -4.83 4.92 0.00 -0.53 -4.37 117.12 117.21 3nnk n MET 67 Ca -0.16 -1.13 -0.33 0.00 0.00 0.00 0.00 57.70 56.07 3nnk n MET 67 Cb 0.46 1.16 -0.13 0.00 0.00 0.00 0.00 33.22 34.71 3nnk n MET 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3nnk s LEU 68 N 0.00 2.83 -0.20 3.17 1.43 -1.26 -0.86 118.68 123.78 3nnk s LEU 68 Ca 0.11 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 3nnk s LEU 68 Cb -0.01 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3nnk s LEU 68 CO 0.08 0.35 0.06 -0.69 0.23 0.00 0.00 176.35 176.37 3nnk s VAL 69 N -0.72 4.59 -1.02 -1.59 1.01 -0.47 -4.97 120.40 117.22 3nnk s VAL 69 Ca 0.11 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 3nnk s VAL 69 Cb -0.11 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.25 3nnk s VAL 69 CO 0.01 0.42 1.41 -1.81 0.00 0.00 0.00 175.10 175.13 3nnk s ASP 70 N 0.76 6.56 0.00 3.32 -0.00 -1.26 -1.48 116.67 124.57 3nnk s ASP 70 Ca 0.03 -1.65 0.00 0.00 -0.00 0.00 0.00 52.55 50.93 3nnk s ASP 70 Cb -0.13 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 3nnk s ASP 70 CO 0.02 -1.39 0.00 0.61 -0.00 0.00 0.00 175.17 174.41 3nnk n GLY 71 N 6.48 1.66 3.37 0.21 0.00 -0.49 -5.01 105.19 111.42 3nnk n GLY 71 Ca 0.32 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 1.33 0.19 2.61 -4.23 -1.25 -2.45 115.64 109.85 3nnk s THR 72 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 3nnk s THR 72 Cb 0.00 -2.16 0.13 0.00 1.34 0.00 0.00 72.50 71.82 3nnk s THR 72 CO 0.00 0.00 1.70 0.28 -0.54 0.00 0.00 174.62 176.06 3nnk h SER 73 N -3.21 -0.07 0.26 3.99 0.02 -1.78 -0.00 113.55 112.75 3nnk h SER 73 Ca -0.45 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3nnk h SER 73 Cb 1.33 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.03 3nnk h SER 73 CO 0.31 -0.01 0.00 -2.11 -1.14 0.00 0.00 176.83 173.88 3nnk n ARG 74 N -5.16 0.33 0.07 3.45 1.85 -1.26 -1.58 116.66 114.35 3nnk n ARG 74 Ca 0.07 0.09 -0.18 0.00 -1.00 0.00 0.00 57.85 56.83 3nnk n ARG 74 Cb 0.28 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.10 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 2.92 0.19 -0.52 2.89 0.00 -1.28 -2.29 119.26 121.17 3nnk h ALA 75 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 3nnk h ALA 75 Cb 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3nnk h ALA 75 CO 0.00 0.75 -0.08 0.78 0.00 0.00 0.00 179.25 180.71 3nnk h GLY 76 N 0.78 1.04 0.62 0.00 0.00 -1.31 0.12 103.07 104.32 3nnk h GLY 76 Ca -0.12 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.40 3nnk h GLY 76 CO 0.20 0.76 -0.16 -2.22 0.00 0.00 0.00 176.54 175.12 3nnk h ILE 77 N 0.83 0.61 0.02 2.60 2.04 -1.59 -2.21 117.51 119.81 3nnk h ILE 77 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3nnk h ILE 77 Cb 0.63 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3nnk h ILE 77 CO 0.04 0.00 -0.01 -0.08 0.00 0.00 0.00 178.15 178.10 3nnk h GLU 78 N -0.26 -0.03 -0.93 2.37 4.81 -1.22 -0.47 114.58 118.84 3nnk h GLU 78 Ca 0.05 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.50 3nnk h GLU 78 Cb 0.33 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.60 3nnk h GLU 78 CO -0.15 -0.02 0.48 0.00 -0.73 0.00 0.00 179.01 178.59 3nnk h ALA 79 N 0.95 1.54 -0.05 2.92 0.00 -0.71 0.12 119.26 124.04 3nnk h ALA 79 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3nnk h ALA 79 Cb 0.03 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3nnk h ALA 79 CO -0.00 -0.26 -0.53 0.82 0.00 0.00 0.00 179.25 179.28 3nnk h ILE 80 N 0.52 1.40 -0.40 0.00 2.04 -0.94 -2.87 117.51 117.26 3nnk h ILE 80 Ca 0.57 -1.93 -0.12 0.00 1.00 0.00 0.00 64.86 64.39 3nnk h ILE 80 Cb 1.04 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 3nnk h ILE 80 CO -0.48 0.57 -0.23 -0.07 0.00 0.00 0.00 178.15 177.94 3nnk h LEU 81 N -0.01 0.82 -0.90 1.44 3.38 -0.41 -0.74 115.31 118.90 3nnk h LEU 81 Ca -0.05 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 3nnk h LEU 81 Cb 1.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3nnk h LEU 81 CO 0.11 1.02 -0.42 0.58 0.09 0.00 0.00 178.44 179.82 3nnk h VAL 82 N 0.70 1.31 0.00 1.22 2.07 -0.88 -0.53 116.25 120.14 3nnk h VAL 82 Ca 0.09 -1.55 -0.10 0.00 0.82 0.00 0.00 66.70 65.97 3nnk h VAL 82 Cb 0.75 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3nnk h VAL 82 CO 0.06 0.46 -0.71 0.28 0.02 0.00 0.00 177.57 177.68 3nnk h SER 83 N 0.23 0.00 0.22 0.57 0.02 -1.30 -3.36 113.55 109.94 3nnk h SER 83 Ca 0.02 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.64 3nnk h SER 83 Cb 0.84 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.32 3nnk h SER 83 CO 0.07 0.43 -2.07 0.00 -1.14 0.00 0.00 176.83 174.11 3nnk n ALA 84 N -2.25 1.48 -2.52 3.77 0.00 -0.30 -4.54 120.51 116.16 3nnk n ALA 84 Ca -0.01 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 3nnk n ALA 84 Cb 0.73 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 3nnk n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nnk s ILE 85 N -2.54 5.21 0.06 0.00 1.01 -0.21 -5.03 121.20 119.69 3nnk s ILE 85 Ca -0.08 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 3nnk s ILE 85 Cb 0.07 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3nnk s ILE 85 CO 0.82 -0.15 0.68 -0.13 0.00 0.00 0.00 174.94 176.16 3nnk s ARG 86 N 1.89 4.41 -0.11 2.79 3.00 -1.26 -4.80 118.95 124.87 3nnk s ARG 86 Ca 0.09 0.93 -0.40 0.00 0.00 0.00 0.00 55.73 56.35 3nnk s ARG 86 Cb -0.17 -3.32 -0.18 0.00 0.00 0.00 0.00 34.95 31.28 3nnk s ARG 86 CO 0.11 0.42 1.42 -2.30 0.00 0.00 0.00 175.30 174.95 3nnk n PRO 87 N 2.39 0.72 0.00 3.54 -0.02 -1.25 -1.76 135.00 138.62 3nnk n PRO 87 Ca -0.06 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3nnk n PRO 87 Cb 0.50 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 2.92 2.73 3.76 -1.23 0.00 0.16 -4.97 105.19 108.57 3nnk n GLY 88 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3nnk n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nnk s ASP 89 N -1.10 5.68 0.07 1.61 1.01 -0.72 -4.21 116.67 119.01 3nnk s ASP 89 Ca 0.00 2.80 -0.23 0.00 0.71 0.00 0.00 52.55 55.83 3nnk s ASP 89 Cb 0.00 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.22 3nnk s ASP 89 CO 0.00 -1.30 0.70 -0.54 0.21 0.00 0.00 175.17 174.24 3nnk s LYS 90 N -2.63 4.42 0.03 8.23 1.02 -1.26 -0.31 119.74 129.24 3nnk s LYS 90 Ca 0.65 0.96 0.06 0.00 0.02 0.00 0.00 55.97 57.66 3nnk s LYS 90 Cb -0.41 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 3nnk s LYS 90 CO 0.51 0.43 -0.17 0.08 -0.92 0.00 0.00 175.35 175.28 3nnk s VAL 91 N -0.54 1.39 -0.17 3.17 1.01 0.26 -0.65 120.40 124.87 3nnk s VAL 91 Ca 0.35 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3nnk s VAL 91 Cb -0.20 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 34.98 3nnk s VAL 91 CO 0.22 0.15 -0.17 -0.22 0.00 0.00 0.00 175.10 175.07 3nnk s LEU 92 N -1.05 2.02 -0.26 3.92 2.96 -0.66 -0.72 118.68 124.88 3nnk s LEU 92 Ca 0.05 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3nnk s LEU 92 Cb -0.08 -1.37 0.05 0.00 0.50 0.00 0.00 46.19 45.28 3nnk s LEU 92 CO 0.01 -0.03 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.24 3nnk s VAL 93 N 1.36 2.53 -0.50 1.68 1.01 -0.74 -1.12 120.40 124.61 3nnk s VAL 93 Ca 0.04 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 3nnk s VAL 93 Cb -0.13 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3nnk s VAL 93 CO -0.12 0.05 1.28 -2.84 0.00 0.00 0.00 175.10 173.48 3nnk s PRO 94 N 1.21 3.54 -0.39 2.72 0.02 -1.25 -2.43 135.00 138.41 3nnk s PRO 94 Ca -0.05 0.56 -0.15 0.00 0.02 0.00 0.00 61.00 61.38 3nnk s PRO 94 Cb -0.19 -4.01 0.01 0.00 0.02 0.00 0.00 34.50 30.33 3nnk s PRO 94 CO -0.05 -1.63 0.30 0.08 -0.33 0.00 0.00 177.00 175.38 3nnk s VAL 95 N 5.20 5.24 -0.10 3.83 1.01 0.52 -4.69 120.40 131.41 3nnk s VAL 95 Ca 0.51 -0.47 0.14 0.00 0.00 0.00 0.00 61.98 62.17 3nnk s VAL 95 Cb -0.10 -3.88 0.21 0.00 0.00 0.00 0.00 36.38 32.62 3nnk s VAL 95 CO 0.29 -0.23 1.11 2.22 0.00 0.00 0.00 175.10 178.49 3nnk n PHE 96 N 5.20 0.00 -1.24 5.22 1.16 -1.26 -2.51 117.46 124.04 3nnk n PHE 96 Ca -0.11 -0.74 0.00 0.00 -1.87 0.00 0.00 57.45 54.73 3nnk n PHE 96 Cb 0.48 -0.12 0.00 0.00 -1.61 0.00 0.00 39.48 38.23 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 -1.07 -1.38 0.37 4.97 0.00 -1.26 -4.64 105.19 102.17 3nnk n GLY 97 Ca 0.12 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.23 3nnk n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3nnk h ARG 98 N 0.00 0.81 0.00 1.61 1.12 -1.96 -2.51 114.38 113.44 3nnk h ARG 98 Ca 0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 3nnk h ARG 98 Cb 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 29.78 3nnk h ARG 98 CO 0.00 0.53 -0.03 0.74 -3.11 0.00 0.00 179.97 178.10 3nnk h PHE 99 N 0.83 0.00 -0.24 2.20 0.04 -1.98 -2.53 116.94 115.27 3nnk h PHE 99 Ca 0.43 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.11 3nnk h PHE 99 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3nnk h PHE 99 CO -0.00 0.00 -0.27 0.78 -0.60 0.00 0.00 178.31 178.22 3nnk h GLY 100 N 4.27 0.49 1.98 -1.45 0.00 -1.80 -2.67 103.07 103.89 3nnk h GLY 100 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3nnk h GLY 100 CO 0.00 0.37 -0.59 0.45 0.00 0.00 0.00 176.54 176.77 3nnk h HIS 101 N 0.40 0.03 -0.15 5.60 3.86 -1.47 -2.76 115.15 120.65 3nnk h HIS 101 Ca 0.06 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3nnk h HIS 101 Cb 0.68 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 3nnk h HIS 101 CO 0.02 0.61 0.06 1.25 0.86 0.00 0.00 177.93 180.73 3nnk h LEU 102 N 0.02 0.21 -1.17 2.43 5.85 -1.29 -2.28 115.31 119.06 3nnk h LEU 102 Ca -0.01 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.65 3nnk h LEU 102 Cb 1.05 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 3nnk h LEU 102 CO 0.08 0.31 0.58 -0.07 -0.34 0.00 0.00 178.44 179.00 3nnk h LEU 103 N 0.10 0.84 -0.77 2.25 3.38 -1.42 -1.26 115.31 118.42 3nnk h LEU 103 Ca 0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3nnk h LEU 103 Cb 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3nnk h LEU 103 CO -0.00 0.51 0.43 0.00 0.09 0.00 0.00 178.44 179.46 3nnk h GLU 105 N 1.07 0.28 -0.29 0.00 4.39 -0.77 -2.20 114.58 117.07 3nnk h GLU 105 Ca 0.27 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3nnk h GLU 105 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3nnk h GLU 105 CO -0.04 0.66 0.17 0.82 -1.16 0.00 0.00 179.01 179.46 3nnk h ILE 106 N -0.09 1.04 -0.68 3.13 2.04 -1.18 -0.19 117.51 121.58 3nnk h ILE 106 Ca 0.02 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3nnk h ILE 106 Cb 0.60 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3nnk h ILE 106 CO 0.03 0.06 0.45 0.00 0.00 0.00 0.00 178.15 178.69 3nnk h ALA 107 N 1.12 1.77 -0.32 1.87 0.00 -1.23 -1.48 119.26 121.00 3nnk h ALA 107 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3nnk h ALA 107 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3nnk h ALA 107 CO -0.05 0.12 -0.27 -0.09 0.00 0.00 0.00 179.25 178.96 3nnk h ARG 108 N 0.67 0.65 0.00 0.00 2.43 -0.61 -2.18 114.38 115.33 3nnk h ARG 108 Ca 0.30 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3nnk h ARG 108 Cb 0.30 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3nnk h ARG 108 CO -0.10 0.85 0.00 0.54 -1.51 0.00 0.00 179.97 179.76 3nnk n ARG 109 N -4.10 0.07 -0.03 0.20 5.12 -0.18 -1.37 116.66 116.37 3nnk n ARG 109 Ca -0.00 0.18 0.13 0.00 -1.93 0.00 0.00 57.85 56.22 3nnk n ARG 109 Cb 0.44 -1.61 0.30 0.00 -1.16 0.00 0.00 32.46 30.43 3nnk n ARG 109 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3nnk n ARG 111 N 0.83 -2.02 -2.50 0.00 1.74 -0.47 -3.90 116.66 110.33 3nnk n ARG 111 Ca 0.17 0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 57.62 3nnk n ARG 111 Cb 0.48 -4.94 -0.01 0.00 -1.02 0.00 0.00 32.46 26.97 3nnk n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nnk s ALA 112 N -2.82 3.30 -0.39 7.54 0.00 -0.86 -0.66 121.76 127.88 3nnk s ALA 112 Ca 0.08 -0.30 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 3nnk s ALA 112 Cb -0.04 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.34 3nnk s ALA 112 CO 0.10 -0.34 0.91 -2.00 0.00 0.00 0.00 175.76 174.44 3nnk s GLU 113 N -4.59 3.76 -0.42 0.00 2.12 0.57 -4.65 118.70 115.48 3nnk s GLU 113 Ca 0.51 0.45 -0.17 0.00 0.36 0.00 0.00 54.97 56.12 3nnk s GLU 113 Cb -0.10 -3.83 0.02 0.00 0.26 0.00 0.00 34.13 30.48 3nnk s GLU 113 CO 0.43 -1.01 0.42 0.08 -0.54 0.00 0.00 175.26 174.64 3nnk s VAL 114 N 3.52 5.11 0.08 3.70 1.01 -1.26 -0.57 120.40 131.98 3nnk s VAL 114 Ca 0.37 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3nnk s VAL 114 Cb -0.12 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3nnk s VAL 114 CO 0.20 -0.43 0.32 -1.00 0.00 0.00 0.00 175.10 174.20 3nnk s HIS 115 N 2.06 3.53 -0.00 5.22 3.76 0.10 -4.98 115.29 124.98 3nnk s HIS 115 Ca 0.11 0.56 0.02 0.00 -0.15 0.00 0.00 55.06 55.59 3nnk s HIS 115 Cb -0.18 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 3nnk s HIS 115 CO 0.13 0.52 -0.06 0.95 -0.85 0.00 0.00 174.74 175.43 3nnk s THR 116 N -1.49 0.44 0.04 1.30 -4.23 -1.26 -1.79 115.64 108.65 3nnk s THR 116 Ca 0.35 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.65 3nnk s THR 116 Cb -0.13 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 3nnk s THR 116 CO 0.21 0.08 -0.26 0.27 -0.54 0.00 0.00 174.62 174.39 3nnk s ILE 117 N -0.23 2.12 0.10 2.99 -4.36 -1.02 -4.98 121.20 115.82 3nnk s ILE 117 Ca 0.01 -1.37 0.06 0.00 -0.26 0.00 0.00 60.65 59.09 3nnk s ILE 117 Cb -0.03 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 3nnk s ILE 117 CO -0.00 0.37 -0.15 -1.61 0.24 0.00 0.00 174.94 173.79 3nnk s GLU 118 N -1.20 0.96 0.15 0.37 2.02 -1.26 -0.35 118.70 119.39 3nnk s GLU 118 Ca 0.11 -1.11 0.05 0.00 0.02 0.00 0.00 54.97 54.05 3nnk s GLU 118 Cb -0.10 -0.97 -0.04 0.00 0.10 0.00 0.00 34.13 33.12 3nnk s GLU 118 CO 0.02 0.21 -0.11 0.14 0.02 0.00 0.00 175.26 175.53 3nnk s VAL 119 N -1.60 1.29 0.42 2.63 -7.23 -1.04 -4.97 120.40 109.90 3nnk s VAL 119 Ca 0.04 -2.03 -0.24 0.00 -1.81 0.00 0.00 61.98 57.94 3nnk s VAL 119 Cb -0.08 -1.82 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 3nnk s VAL 119 CO 0.03 -0.67 1.16 -2.16 -0.31 0.00 0.00 175.10 173.15 3nnk s PRO 120 N -3.55 3.94 0.07 4.82 0.04 -1.26 -4.64 135.00 134.42 3nnk s PRO 120 Ca 0.16 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 3nnk s PRO 120 Cb 0.01 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 3nnk s PRO 120 CO 0.02 -0.40 1.63 -1.58 0.04 0.00 0.00 177.00 176.71 3nnk s TRP 121 N -1.49 2.48 -0.47 0.56 0.52 -1.26 0.23 118.94 119.51 3nnk s TRP 121 Ca 0.60 0.36 0.03 0.00 0.02 0.00 0.00 56.10 57.11 3nnk s TRP 121 Cb -0.29 -3.95 0.13 0.00 -1.15 0.00 0.00 33.47 28.21 3nnk s TRP 121 CO 0.36 -3.77 0.22 0.20 0.02 0.00 0.00 176.95 173.99 3nnk s GLY 122 N 2.31 2.14 0.36 0.98 0.00 -1.26 -5.01 107.32 106.84 3nnk s GLY 122 Ca 0.73 -2.96 0.02 0.00 0.00 0.00 0.00 44.72 42.51 3nnk s GLY 122 CO 0.32 1.16 0.13 1.18 0.00 0.00 0.00 173.10 175.89 3nnk n GLU 123 N 3.41 1.05 -4.19 2.90 1.02 0.14 -3.11 120.64 121.86 3nnk n GLU 123 Ca 0.06 -2.46 -0.12 0.00 -0.02 0.00 0.00 57.16 54.61 3nnk n GLU 123 Cb 0.34 0.48 -0.10 0.00 -0.02 0.00 0.00 31.44 32.14 3nnk n GLU 123 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3nnk s VAL 124 N -2.08 0.83 0.30 2.62 0.11 -1.26 -4.90 120.40 116.02 3nnk s VAL 124 Ca 0.10 -1.90 -0.18 0.00 -2.93 0.00 0.00 61.98 57.06 3nnk s VAL 124 Cb -0.01 -1.65 -0.09 0.00 -1.53 0.00 0.00 36.38 33.10 3nnk s VAL 124 CO 0.06 -0.79 0.78 -0.36 -3.33 0.00 0.00 175.10 171.46 3nnk s PHE 125 N -3.33 3.48 0.25 1.54 0.08 -1.26 -5.04 117.98 113.70 3nnk s PHE 125 Ca 0.11 1.38 -0.12 0.00 0.12 0.00 0.00 56.93 58.42 3nnk s PHE 125 Cb 0.03 -2.64 -0.08 0.00 -0.57 0.00 0.00 43.02 39.76 3nnk s PHE 125 CO -0.03 0.16 0.62 0.99 -0.10 0.00 0.00 175.22 176.86 3nnk s THR 126 N -1.83 4.82 0.25 0.64 2.01 -1.26 -4.73 115.64 115.54 3nnk s THR 126 Ca 0.51 0.72 -0.07 0.00 0.31 0.00 0.00 61.69 63.16 3nnk s THR 126 Cb -0.13 -3.64 0.28 0.00 0.01 0.00 0.00 72.50 69.02 3nnk s THR 126 CO 0.19 -0.06 1.63 -0.65 -0.69 0.00 0.00 174.62 175.04 3nnk h PRO 127 N 2.61 0.10 -0.13 4.92 0.11 -1.98 -2.09 132.00 135.54 3nnk h PRO 127 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3nnk h PRO 127 Cb 1.17 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3nnk h PRO 127 CO 0.67 0.07 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.92 3nnk h ASP 128 N 0.10 0.20 -0.08 -2.05 5.19 -1.98 -2.23 116.42 115.58 3nnk h ASP 128 Ca 0.42 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.76 3nnk h ASP 128 Cb 0.74 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 3nnk h ASP 128 CO -0.67 0.40 -0.05 1.56 -3.12 0.00 0.00 179.24 177.35 3nnk h GLN 129 N 0.20 0.17 -0.00 3.56 4.20 -1.78 -1.72 115.11 119.74 3nnk h GLN 129 Ca 0.04 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 3nnk h GLN 129 Cb 0.43 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3nnk h GLN 129 CO 0.03 0.56 -0.64 -0.39 -0.67 0.00 0.00 178.83 177.71 3nnk h VAL 130 N -0.21 1.46 -0.51 -0.54 -1.51 -1.50 -2.81 116.25 110.62 3nnk h VAL 130 Ca 0.02 -2.20 -0.07 0.00 -1.23 0.00 0.00 66.70 63.21 3nnk h VAL 130 Cb 0.51 2.18 -0.02 0.00 -2.13 0.00 0.00 31.29 31.84 3nnk h VAL 130 CO 0.01 0.63 0.03 -0.08 -1.23 0.00 0.00 177.57 176.94 3nnk h GLU 131 N 0.01 0.89 -0.43 5.19 4.81 -1.41 -0.39 114.58 123.25 3nnk h GLU 131 Ca -0.01 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3nnk h GLU 131 Cb 1.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3nnk h GLU 131 CO 0.08 0.90 0.18 -0.44 -0.73 0.00 0.00 179.01 179.00 3nnk h ASP 132 N 0.76 0.54 -0.30 1.04 3.45 -1.25 -1.36 116.42 119.28 3nnk h ASP 132 Ca 0.15 -0.05 -0.10 0.00 0.43 0.00 0.00 57.03 57.46 3nnk h ASP 132 Cb 0.47 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 3nnk h ASP 132 CO 0.02 0.49 -0.18 0.00 -1.57 0.00 0.00 179.24 177.99 3nnk h ALA 133 N 1.60 0.43 -0.81 3.45 0.00 -1.21 -2.55 119.26 120.18 3nnk h ALA 133 Ca 0.15 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3nnk h ALA 133 Cb 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3nnk h ALA 133 CO -0.02 0.36 0.54 0.28 0.00 0.00 0.00 179.25 180.41 3nnk h VAL 134 N 0.42 1.20 -0.60 0.00 2.07 -0.67 -1.92 116.25 116.74 3nnk h VAL 134 Ca 0.06 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3nnk h VAL 134 Cb 0.72 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3nnk h VAL 134 CO 0.05 0.20 0.07 0.11 0.02 0.00 0.00 177.57 178.02 3nnk h LYS 135 N 1.09 0.99 -0.23 1.57 1.57 -1.27 -0.13 116.57 120.15 3nnk h LYS 135 Ca 0.30 -0.26 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 3nnk h LYS 135 Cb -0.11 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.09 3nnk h LYS 135 CO -0.07 0.93 -0.51 0.00 -0.57 0.00 0.00 179.45 179.23 3nnk h ARG 136 N 0.92 0.75 0.00 3.15 3.08 -0.99 -3.37 114.38 117.92 3nnk h ARG 136 Ca 0.18 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3nnk h ARG 136 Cb 0.44 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3nnk h ARG 136 CO 0.02 1.12 -1.09 0.44 -1.07 0.00 0.00 179.97 179.39 3nnk n ILE 137 N -4.11 0.00 -3.23 2.04 -0.00 -0.77 -5.08 119.36 108.21 3nnk n ILE 137 Ca -0.05 -0.22 -0.14 0.00 -0.00 0.00 0.00 62.75 62.33 3nnk n ILE 137 Cb 0.60 0.51 0.01 0.00 -0.00 0.00 0.00 39.64 40.76 3nnk n ILE 137 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 3nnk n ARG 138 N -1.62 -1.76 -2.57 6.28 3.00 -0.06 -4.98 116.66 114.95 3nnk n ARG 138 Ca -0.01 1.50 -0.30 0.00 -0.00 0.00 0.00 57.85 59.05 3nnk n ARG 138 Cb 0.19 -4.39 -0.02 0.00 0.00 0.00 0.00 32.46 28.24 3nnk n ARG 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3nnk s PRO 139 N -3.22 3.72 0.05 -0.14 0.04 -1.26 -4.91 135.00 129.28 3nnk s PRO 139 Ca 0.13 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.53 3nnk s PRO 139 Cb -0.03 -2.30 -0.23 0.00 0.04 0.00 0.00 34.50 31.98 3nnk s PRO 139 CO 0.81 -0.20 1.15 -0.09 0.04 0.00 0.00 177.00 178.71 3nnk h ARG 140 N 0.69 0.59 -6.05 4.56 2.43 -1.24 -3.43 114.38 111.92 3nnk h ARG 140 Ca -0.47 -0.64 -0.61 0.00 -0.81 0.00 0.00 59.98 57.46 3nnk h ARG 140 Cb 1.19 0.18 -0.29 0.00 -0.42 0.00 0.00 29.97 30.63 3nnk h ARG 140 CO 0.63 1.25 -0.86 -0.51 -1.51 0.00 0.00 179.97 178.97 3nnk s LEU 141 N -8.20 2.05 -0.29 3.80 2.01 -1.20 -1.57 118.68 115.28 3nnk s LEU 141 Ca -0.11 -0.39 -0.10 0.00 0.01 0.00 0.00 54.13 53.54 3nnk s LEU 141 Cb 0.06 -1.07 -0.03 0.00 0.01 0.00 0.00 46.19 45.16 3nnk s LEU 141 CO 0.88 0.25 0.16 -0.22 1.01 0.00 0.00 176.35 178.44 3nnk s LEU 142 N -0.56 4.02 -0.39 1.79 2.96 0.46 -1.66 118.68 125.31 3nnk s LEU 142 Ca 0.08 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3nnk s LEU 142 Cb -0.08 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.65 3nnk s LEU 142 CO -0.01 -0.13 0.18 -0.76 -1.32 0.00 0.00 176.35 174.31 3nnk s LEU 143 N 1.68 4.94 0.12 -0.68 1.43 -0.27 -0.54 118.68 125.35 3nnk s LEU 143 Ca 0.06 -1.73 0.08 0.00 -1.03 0.00 0.00 54.13 51.51 3nnk s LEU 143 Cb -0.16 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3nnk s LEU 143 CO 0.08 -0.48 -0.12 0.42 0.23 0.00 0.00 176.35 176.48 3nnk s THR 144 N 1.24 3.20 -0.14 5.49 -4.23 -0.85 -3.93 115.64 116.42 3nnk s THR 144 Ca 0.04 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 3nnk s THR 144 Cb -0.22 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 3nnk s THR 144 CO -0.02 0.07 0.25 -0.69 -0.54 0.00 0.00 174.62 173.69 3nnk s VAL 145 N -1.29 5.33 0.00 2.29 1.01 -1.26 -0.13 120.40 126.35 3nnk s VAL 145 Ca 0.21 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3nnk s VAL 145 Cb -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3nnk s VAL 145 CO 0.13 0.47 0.23 1.67 0.00 0.00 0.00 175.10 177.60 3nnk n GLN 146 N 3.03 0.00 -3.76 2.72 7.27 -0.69 -4.56 117.38 121.38 3nnk n GLN 146 Ca -0.14 0.40 -0.37 0.00 0.07 0.00 0.00 57.00 56.96 3nnk n GLN 146 Cb 0.53 -1.03 -0.12 0.00 2.41 0.00 0.00 30.24 32.03 3nnk n GLN 146 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3nnk s GLY 147 N -1.55 1.80 -0.46 1.69 0.00 -1.26 -0.31 107.32 107.23 3nnk s GLY 147 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 3nnk s GLY 147 CO 0.00 0.50 0.39 -0.35 0.00 0.00 0.00 173.10 173.64 3nnk s ASP 148 N 1.51 6.14 0.00 1.64 -1.08 -0.17 -4.50 116.67 120.22 3nnk s ASP 148 Ca 0.06 -1.24 0.09 0.00 -0.52 0.00 0.00 52.55 50.94 3nnk s ASP 148 Cb -0.15 -2.18 0.41 0.00 -1.46 0.00 0.00 42.92 39.54 3nnk s ASP 148 CO 0.05 -0.62 1.23 0.35 0.52 0.00 0.00 175.17 176.70 3nnk n THR 149 N 5.21 1.13 0.60 1.71 -2.24 -1.26 -0.11 114.28 119.32 3nnk n THR 149 Ca -0.12 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 3nnk n THR 149 Cb 0.44 -1.13 0.18 0.00 -2.10 0.00 0.00 70.33 67.72 3nnk n THR 149 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3nnk n SER 150 N -1.41 0.68 0.00 3.42 3.41 -1.26 -4.29 113.62 114.17 3nnk n SER 150 Ca 0.03 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3nnk n SER 150 Cb 0.09 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3nnk n SER 150 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3nnk n THR 151 N -2.06 0.00 -1.38 6.66 -2.24 -0.62 -4.93 114.28 109.70 3nnk n THR 151 Ca 0.03 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 3nnk n THR 151 Cb 0.43 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.68 -0.02 -4.11 4.28 -2.24 0.84 -4.85 114.28 107.50 3nnk n THR 152 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 3nnk n THR 152 Cb 0.00 -1.37 -0.07 0.00 -2.10 0.00 0.00 70.33 66.78 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 -3.08 3.17 -0.31 -0.78 -1.94 -1.17 -1.66 119.30 113.54 3nnk s MET 153 Ca 0.00 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.62 3nnk s MET 153 Cb 0.00 -2.95 0.06 0.00 2.01 0.00 0.00 34.83 33.95 3nnk s MET 153 CO 0.00 0.71 0.01 -1.17 -0.01 0.00 0.00 175.02 174.56 3nnk s LEU 154 N -1.28 4.01 0.02 -0.03 1.98 0.58 -1.00 118.68 122.97 3nnk s LEU 154 Ca 0.18 -1.37 -0.30 0.00 -2.89 0.00 0.00 54.13 49.75 3nnk s LEU 154 Cb -0.12 -1.71 -0.06 0.00 0.66 0.00 0.00 46.19 44.96 3nnk s LEU 154 CO 0.08 -0.28 1.39 -1.58 -1.89 0.00 0.00 176.35 174.06 3nnk s GLN 155 N 1.22 4.30 -0.08 1.98 2.00 0.57 -4.81 119.66 124.83 3nnk s GLN 155 Ca -0.04 1.97 -0.30 0.00 -2.00 0.00 0.00 55.36 55.00 3nnk s GLN 155 Cb -0.20 -3.50 -0.05 0.00 0.80 0.00 0.00 33.01 30.06 3nnk s GLN 155 CO -0.02 -0.53 1.65 -2.14 -0.50 0.00 0.00 175.29 173.75 3nnk s PRO 156 N 2.09 4.11 -0.01 1.67 0.02 -1.26 -4.88 135.00 136.74 3nnk s PRO 156 Ca 0.64 2.09 0.15 0.00 0.02 0.00 0.00 61.00 63.90 3nnk s PRO 156 Cb -0.32 -3.99 -0.21 0.00 0.02 0.00 0.00 34.50 29.99 3nnk s PRO 156 CO 0.27 -0.93 0.45 1.28 -0.33 0.00 0.00 177.00 177.74 3nnk n LEU 157 N 7.40 0.26 -0.16 -5.54 4.32 -1.26 -4.65 117.00 117.37 3nnk n LEU 157 Ca 0.18 -0.18 -0.02 0.00 -0.02 0.00 0.00 56.01 55.96 3nnk n LEU 157 Cb 0.43 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.29 3nnk n LEU 157 CO 0.63 0.06 0.82 0.00 -1.22 0.00 0.00 177.39 177.68 3nnk h ALA 158 N 1.67 0.44 0.00 -1.18 0.00 -1.92 -2.06 119.26 116.21 3nnk h ALA 158 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3nnk h ALA 158 Cb 0.58 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3nnk h ALA 158 CO 0.00 -0.40 -0.35 0.93 0.00 0.00 0.00 179.25 179.43 3nnk h GLU 159 N 0.08 0.00 -0.23 0.00 5.08 -1.93 -3.37 114.58 114.21 3nnk h GLU 159 Ca 0.25 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3nnk h GLU 159 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3nnk h GLU 159 CO -0.45 0.00 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.38 3nnk h LEU 160 N 0.00 0.34 -0.90 1.33 4.07 -1.63 -3.07 115.31 115.45 3nnk h LEU 160 Ca 0.00 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.77 3nnk h LEU 160 Cb 0.99 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 3nnk h LEU 160 CO 0.00 0.49 -0.42 1.23 -1.08 0.00 0.00 178.44 178.66 3nnk h GLY 161 N 0.82 0.30 1.95 0.83 0.00 -1.62 -1.87 103.07 103.48 3nnk h GLY 161 Ca 0.07 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 3nnk h GLY 161 CO 0.02 0.26 -0.86 0.83 0.00 0.00 0.00 176.54 176.80 3nnk h GLU 162 N 0.23 0.04 -0.67 4.80 4.39 -1.75 -0.94 114.58 120.68 3nnk h GLU 162 Ca 0.02 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 3nnk h GLU 162 Cb 0.84 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 3nnk h GLU 162 CO 0.07 0.87 0.19 0.82 -1.16 0.00 0.00 179.01 179.80 3nnk h ILE 163 N 0.02 1.26 -0.56 3.13 2.04 -1.49 -2.65 117.51 119.25 3nnk h ILE 163 Ca -0.02 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 64.87 3nnk h ILE 163 Cb 1.50 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3nnk h ILE 163 CO 0.12 0.35 0.08 0.00 0.00 0.00 0.00 178.15 178.70 3nnk h ARG 165 N 0.86 0.41 -0.70 0.00 2.43 -1.05 -0.32 114.38 116.00 3nnk h ARG 165 Ca 0.18 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3nnk h ARG 165 Cb 0.39 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3nnk h ARG 165 CO 0.01 0.82 0.45 0.00 -1.51 0.00 0.00 179.97 179.74 3nnk h ARG 166 N 0.32 0.92 -0.50 0.20 3.08 -1.45 -3.18 114.38 113.78 3nnk h ARG 166 Ca 0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3nnk h ARG 166 Cb 1.00 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3nnk h ARG 166 CO 0.09 0.62 0.00 0.66 -1.07 0.00 0.00 179.97 180.27 3nnk n TYR 167 N -4.59 1.52 -3.78 3.04 4.01 -1.17 -4.97 117.16 111.21 3nnk n TYR 167 Ca 0.06 -0.72 -0.24 0.00 -0.16 0.00 0.00 57.90 56.84 3nnk n TYR 167 Cb 0.02 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 38.71 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 0.46 -1.39 -4.31 7.72 4.64 -0.89 -4.98 116.55 117.80 3nnk n ASP 168 Ca 0.25 -0.91 -0.33 0.00 -1.38 0.00 0.00 54.79 52.42 3nnk n ASP 168 Cb 0.98 -3.62 -0.15 0.00 -1.04 0.00 0.00 41.12 37.29 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 -3.75 2.50 0.09 -1.67 0.00 -0.18 -4.93 121.76 113.82 3nnk s ALA 169 Ca 0.06 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 3nnk s ALA 169 Cb -0.02 -1.15 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 3nnk s ALA 169 CO 0.85 0.15 1.57 -0.51 0.00 0.00 0.00 175.76 177.82 3nnk s LEU 170 N 0.52 4.36 -0.32 0.00 1.43 -0.61 -4.54 118.68 119.53 3nnk s LEU 170 Ca -0.10 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 3nnk s LEU 170 Cb -0.16 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 3nnk s LEU 170 CO 0.04 -0.82 0.20 0.12 0.23 0.00 0.00 176.35 176.11 3nnk s PHE 171 N 2.01 3.20 0.06 0.29 5.36 -1.26 -0.40 117.98 127.24 3nnk s PHE 171 Ca 0.71 -0.27 0.09 0.00 -0.96 0.00 0.00 56.93 56.50 3nnk s PHE 171 Cb -0.40 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 39.84 3nnk s PHE 171 CO 0.31 -0.35 -0.23 -0.47 -1.46 0.00 0.00 175.22 173.02 3nnk s TYR 172 N 1.69 2.42 0.02 10.12 6.14 0.30 -0.77 117.35 137.26 3nnk s TYR 172 Ca 0.06 -0.34 0.01 0.00 0.64 0.00 0.00 57.07 57.44 3nnk s TYR 172 Cb -0.17 -1.40 -0.01 0.00 0.42 0.00 0.00 41.96 40.80 3nnk s TYR 172 CO 0.09 0.22 -0.04 -0.08 0.64 0.00 0.00 175.55 176.37 3nnk s THR 173 N -0.90 0.28 -0.58 4.34 -1.32 -0.96 -2.00 115.64 114.49 3nnk s THR 173 Ca 0.13 -0.59 -0.19 0.00 -1.21 0.00 0.00 61.69 59.84 3nnk s THR 173 Cb -0.10 -0.32 0.10 0.00 -1.51 0.00 0.00 72.50 70.67 3nnk s THR 173 CO 0.04 -0.21 0.69 -0.62 -2.21 0.00 0.00 174.62 172.32 3nnk s ASP 174 N -0.85 6.18 -0.25 8.08 -1.08 0.82 -2.91 116.67 126.67 3nnk s ASP 174 Ca -0.06 -1.41 0.13 0.00 -0.52 0.00 0.00 52.55 50.68 3nnk s ASP 174 Cb -0.06 -2.30 0.61 0.00 -1.46 0.00 0.00 42.92 39.71 3nnk s ASP 174 CO -0.00 -1.09 1.56 0.00 0.52 0.00 0.00 175.17 176.16 3nnk n ALA 175 N 6.29 3.77 -0.18 3.66 0.00 -0.20 -1.71 120.51 132.14 3nnk n ALA 175 Ca -0.09 -2.47 -0.03 0.00 0.00 0.00 0.00 53.44 50.84 3nnk n ALA 175 Cb 0.43 -0.90 0.16 0.00 0.00 0.00 0.00 19.45 19.14 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 2.00 1.23 0.00 0.00 1.35 -1.85 -1.61 112.91 114.03 3nnk h THR 176 Ca 0.12 -0.78 -0.07 0.00 -0.55 0.00 0.00 66.41 65.13 3nnk h THR 176 Cb 1.78 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 3nnk h THR 176 CO 0.42 0.30 -0.57 0.00 -0.25 0.00 0.00 175.52 175.43 3nnk h ALA 177 N 1.31 0.74 0.00 6.62 0.00 -1.84 -3.39 119.26 122.70 3nnk h ALA 177 Ca 0.21 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 3nnk h ALA 177 Cb 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3nnk h ALA 177 CO -0.01 0.39 -2.10 -1.13 0.00 0.00 0.00 179.25 176.40 3nnk n SER 178 N -3.06 0.90 -4.68 0.00 3.41 -1.10 -4.65 113.62 104.44 3nnk n SER 178 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.17 3nnk n SER 178 Cb 0.66 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.59 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 -2.56 3.49 0.00 1.04 7.94 -0.62 -0.96 117.00 125.32 3nnk n LEU 179 Ca -0.24 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 3nnk n LEU 179 Cb 0.98 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.46 3nnk n LEU 179 CO 0.36 -0.08 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 3nnk n GLY 180 N 3.83 2.67 0.03 -3.96 0.00 -1.26 -4.31 105.19 102.18 3nnk n GLY 180 Ca 0.18 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N 0.00 -1.13 3.09 -0.02 0.00 -0.71 -3.42 105.19 103.00 3nnk n GLY 181 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 3nnk n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nnk s ASN 182 N -3.99 0.31 0.32 1.61 0.01 -0.14 -4.62 114.94 108.44 3nnk s ASN 182 Ca 0.01 -0.72 -0.29 0.00 -0.71 0.00 0.00 52.86 51.14 3nnk s ASN 182 Cb 0.14 0.20 -0.12 0.00 0.41 0.00 0.00 41.25 41.89 3nnk s ASN 182 CO 0.84 -0.52 1.53 -2.65 -1.51 0.00 0.00 177.10 174.79 3nnk n PRO 183 N 0.59 2.62 -3.32 -0.60 -0.02 -1.26 -4.68 135.00 128.33 3nnk n PRO 183 Ca -0.18 0.93 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3nnk n PRO 183 Cb 0.59 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.04 -0.59 -1.07 2.45 2.96 -1.26 -5.01 118.68 115.12 3nnk s LEU 184 Ca 0.60 -0.87 -0.10 0.00 -0.22 0.00 0.00 54.13 53.53 3nnk s LEU 184 Cb -0.50 0.98 0.26 0.00 0.50 0.00 0.00 46.19 47.43 3nnk s LEU 184 CO 0.55 -0.30 1.07 -1.61 -1.32 0.00 0.00 176.35 174.74 3nnk s GLU 185 N 2.06 4.10 0.20 1.98 0.41 -1.26 -4.45 118.70 121.74 3nnk s GLU 185 Ca 0.13 -3.05 -0.15 0.00 -0.41 0.00 0.00 54.97 51.48 3nnk s GLU 185 Cb -0.12 -4.57 0.20 0.00 -1.78 0.00 0.00 34.13 27.86 3nnk s GLU 185 CO -0.18 -1.28 1.62 1.15 -0.49 0.00 0.00 175.26 176.08 3nnk h THR 186 N 3.92 0.36 0.04 3.63 2.02 -1.65 -0.38 112.91 120.85 3nnk h THR 186 Ca 0.17 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.08 3nnk h THR 186 Cb 0.90 0.36 0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3nnk h THR 186 CO 0.98 0.00 -1.09 0.44 0.37 0.00 0.00 175.52 176.23 3nnk h ASP 187 N -0.04 0.89 0.94 4.18 5.19 -1.84 -2.01 116.42 123.72 3nnk h ASP 187 Ca 0.28 -0.77 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3nnk h ASP 187 Cb 0.46 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.70 3nnk h ASP 187 CO -0.62 1.55 0.00 1.33 -3.12 0.00 0.00 179.24 178.38 3nnk n VAL 188 N -3.86 0.75 0.28 -1.35 0.24 -1.00 -3.03 118.33 110.36 3nnk n VAL 188 Ca -0.12 0.08 0.09 0.00 -2.04 0.00 0.00 64.34 62.34 3nnk n VAL 188 Cb 0.91 -0.98 0.14 0.00 -1.47 0.00 0.00 33.84 32.44 3nnk n VAL 188 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3nnk n TRP 189 N -2.22 0.31 -2.76 6.34 8.01 -0.19 -4.98 117.44 121.96 3nnk n TRP 189 Ca 0.03 -0.22 -0.15 0.00 -1.31 0.00 0.00 57.50 55.85 3nnk n TRP 189 Cb 0.29 -0.01 0.02 0.00 -2.01 0.00 0.00 31.31 29.61 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 1.00 -0.13 3.73 6.99 0.00 -1.17 -3.48 105.19 112.13 3nnk n GLY 190 Ca 0.13 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3nnk n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 191 N -4.64 4.48 -0.15 0.99 1.43 -0.76 -4.67 118.68 115.36 3nnk s LEU 191 Ca 0.20 1.85 0.10 0.00 -1.03 0.00 0.00 54.13 55.25 3nnk s LEU 191 Cb -0.09 -3.59 -0.23 0.00 0.03 0.00 0.00 46.19 42.31 3nnk s LEU 191 CO 0.25 -0.13 0.25 0.47 0.23 0.00 0.00 176.35 177.42 3nnk n ASP 192 N 2.84 0.94 -3.72 2.29 8.00 0.05 -4.69 116.55 122.26 3nnk n ASP 192 Ca 0.03 0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 3nnk n ASP 192 Cb 0.49 0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 41.62 3nnk n ASP 192 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk s ALA 193 N -2.54 -0.99 0.02 2.24 0.00 -0.90 -1.21 121.76 118.38 3nnk s ALA 193 Ca -0.14 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3nnk s ALA 193 Cb 0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3nnk s ALA 193 CO 0.78 -0.21 -0.08 0.08 0.00 0.00 0.00 175.76 176.33 3nnk s VAL 194 N 0.64 0.56 0.04 0.00 1.01 -1.01 -2.26 120.40 119.38 3nnk s VAL 194 Ca -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3nnk s VAL 194 Cb -0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3nnk s VAL 194 CO -0.04 -0.12 -0.08 -0.94 0.00 0.00 0.00 175.10 173.92 3nnk s SER 195 N -0.90 0.95 0.00 3.32 1.04 -1.15 -1.80 113.70 115.16 3nnk s SER 195 Ca -0.03 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3nnk s SER 195 Cb -0.06 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3nnk s SER 195 CO 0.00 -0.15 0.00 0.00 0.98 0.00 0.00 173.24 174.07 3nnk n ALA 196 N 1.63 0.00 -3.55 5.32 0.00 -0.01 -1.03 120.51 122.86 3nnk n ALA 196 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 3nnk n ALA 196 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 3nnk n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nnk s GLY 197 N -0.03 0.31 -0.14 0.00 0.00 -1.26 -4.08 107.32 102.12 3nnk s GLY 197 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.10 3nnk s GLY 197 CO 0.00 -0.37 0.27 1.03 0.00 0.00 0.00 173.10 174.03 3nnk n MET 198 N -0.45 0.69 -0.29 2.90 0.00 -1.24 -4.68 117.12 114.05 3nnk n MET 198 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.87 3nnk n MET 198 Cb 0.60 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 32.16 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 -3.21 0.99 0.00 0.03 0.00 -1.25 0.18 117.38 114.11 3nnk n GLN 199 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.69 3nnk n GLN 199 Cb 1.05 -1.01 0.00 0.00 0.00 0.00 0.00 30.24 30.29 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 0.00 -2.57 0.00 4.07 -1.76 -3.31 115.31 111.75 3nnk h LEU 202 Ca 0.00 -0.99 0.00 0.00 0.08 0.00 0.00 57.88 56.97 3nnk h LEU 202 Cb 0.05 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3nnk h LEU 202 CO 0.00 1.01 -0.22 0.61 -1.08 0.00 0.00 178.44 178.76 3nnk n GLY 203 N 1.61 -1.03 0.00 0.83 0.00 0.13 -4.81 105.19 101.92 3nnk n GLY 203 Ca -0.10 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -0.69 1.21 3.89 -0.02 0.00 -1.26 -1.55 105.19 106.77 3nnk n GLY 204 Ca 0.05 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.38 3.51 0.69 1.61 0.04 -1.26 -3.93 135.00 135.27 3nnk s PRO 205 Ca 0.00 -0.16 -0.17 0.00 0.04 0.00 0.00 61.00 60.71 3nnk s PRO 205 Cb 0.00 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.43 3nnk s PRO 205 CO 0.00 0.69 1.17 -1.13 0.04 0.00 0.00 177.00 177.77 3nnk n SER 206 N 1.27 1.38 0.00 6.66 3.41 -1.26 -4.45 113.62 120.63 3nnk n SER 206 Ca -0.13 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3nnk n SER 206 Cb 0.53 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3nnk n SER 206 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nnk n GLY 207 N 0.94 0.71 3.05 5.00 0.00 -1.26 -4.96 105.19 108.66 3nnk n GLY 207 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.04 0.87 -0.33 2.61 2.01 -1.06 -1.39 115.64 118.31 3nnk s THR 208 Ca 0.00 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3nnk s THR 208 Cb 0.00 -0.74 0.09 0.00 0.01 0.00 0.00 72.50 71.87 3nnk s THR 208 CO 0.00 0.25 0.04 -0.55 -0.69 0.00 0.00 174.62 173.67 3nnk s SER 209 N -0.17 4.77 0.12 3.53 0.15 -0.55 -3.67 113.70 117.88 3nnk s SER 209 Ca 0.03 -2.01 -0.31 0.00 0.70 0.00 0.00 55.95 54.36 3nnk s SER 209 Cb -0.05 -1.64 -0.09 0.00 -1.71 0.00 0.00 66.02 62.53 3nnk s SER 209 CO -0.00 -0.36 1.50 -2.84 1.20 0.00 0.00 173.24 172.74 3nnk s PRO 210 N 0.96 4.26 0.21 5.44 0.02 -1.26 -1.36 135.00 143.27 3nnk s PRO 210 Ca 0.07 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.37 3nnk s PRO 210 Cb -0.20 -3.28 -0.05 0.00 0.02 0.00 0.00 34.50 30.99 3nnk s PRO 210 CO -0.07 -0.56 -0.08 0.96 -0.33 0.00 0.00 177.00 176.92 3nnk s ILE 211 N 1.43 1.42 -0.04 2.83 -4.36 -0.04 -0.83 121.20 121.61 3nnk s ILE 211 Ca 0.68 -2.12 -0.06 0.00 -0.26 0.00 0.00 60.65 58.90 3nnk s ILE 211 Cb -0.40 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.17 3nnk s ILE 211 CO 0.31 -0.50 0.14 0.28 0.24 0.00 0.00 174.94 175.40 3nnk s THR 212 N -3.17 0.03 -0.05 8.37 -1.32 -0.75 -1.46 115.64 117.30 3nnk s THR 212 Ca 0.24 -0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 3nnk s THR 212 Cb 0.02 -0.28 0.01 0.00 -1.51 0.00 0.00 72.50 70.75 3nnk s THR 212 CO 0.07 -0.12 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.48 3nnk s LEU 213 N -0.39 1.69 0.96 9.08 1.43 0.30 -2.41 118.68 129.35 3nnk s LEU 213 Ca -0.05 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 3nnk s LEU 213 Cb -0.03 -0.76 0.17 0.00 0.03 0.00 0.00 46.19 45.60 3nnk s LEU 213 CO 0.01 0.05 1.12 -0.94 0.23 0.00 0.00 176.35 176.82 3nnk s SER 214 N 0.49 3.03 0.47 2.29 1.04 -0.35 -4.18 113.70 116.49 3nnk s SER 214 Ca -0.10 1.01 0.17 0.00 0.48 0.00 0.00 55.95 57.51 3nnk s SER 214 Cb -0.14 -1.60 1.14 0.00 0.10 0.00 0.00 66.02 65.52 3nnk s SER 214 CO 0.03 -2.86 2.04 0.00 0.98 0.00 0.00 173.24 173.43 3nnk h ALA 215 N -1.71 1.70 -0.08 5.32 0.00 -1.95 -2.05 119.26 120.49 3nnk h ALA 215 Ca -0.52 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 3nnk h ALA 215 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3nnk h ALA 215 CO 0.59 0.17 -0.23 -0.09 0.00 0.00 0.00 179.25 179.69 3nnk h ARG 216 N 0.00 0.30 -0.61 0.00 2.43 -1.93 -3.15 114.38 111.42 3nnk h ARG 216 Ca -0.00 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3nnk h ARG 216 Cb 0.25 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 3nnk h ARG 216 CO 0.02 0.83 0.35 0.52 -1.51 0.00 0.00 179.97 180.18 3nnk h MET 217 N -0.19 0.65 0.00 0.20 2.86 -1.76 -2.62 114.93 114.08 3nnk h MET 217 Ca -0.01 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3nnk h MET 217 Cb 0.86 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3nnk h MET 217 CO 0.05 0.43 -0.28 1.05 1.06 0.00 0.00 176.91 179.22 3nnk h GLU 218 N 0.67 0.00 -0.06 1.72 4.11 -1.45 -1.15 114.58 118.41 3nnk h GLU 218 Ca 0.26 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.65 3nnk h GLU 218 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3nnk h GLU 218 CO -0.14 0.28 -0.13 1.49 0.07 0.00 0.00 179.01 180.58 3nnk h GLU 219 N 0.00 0.20 -0.85 1.06 4.81 -1.46 0.25 114.58 118.58 3nnk h GLU 219 Ca -0.00 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.17 3nnk h GLU 219 Cb 0.53 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 3nnk h GLU 219 CO 0.04 0.72 0.56 0.00 -0.73 0.00 0.00 179.01 179.59 3nnk h ALA 220 N 0.47 1.61 -0.08 2.92 0.00 -1.20 -0.70 119.26 122.28 3nnk h ALA 220 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3nnk h ALA 220 Cb 0.72 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3nnk h ALA 220 CO 0.03 0.24 -0.79 0.82 0.00 0.00 0.00 179.25 179.55 3nnk h ILE 221 N 0.90 1.36 0.00 0.00 2.04 -1.22 -3.27 117.51 117.32 3nnk h ILE 221 Ca 0.38 -2.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 3nnk h ILE 221 Cb 0.30 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3nnk h ILE 221 CO -0.15 0.66 -0.01 0.03 0.00 0.00 0.00 178.15 178.68 3nnk h ARG 222 N 0.32 0.00 0.00 2.37 -0.00 0.14 -2.31 114.38 114.90 3nnk h ARG 222 Ca -0.05 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.39 3nnk h ARG 222 Cb 1.39 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.35 3nnk h ARG 222 CO 0.14 0.01 -0.22 0.00 0.00 0.00 0.00 179.97 179.91 3nnk h ARG 223 N 0.00 0.00 -0.06 0.04 3.08 -1.22 -3.08 114.38 113.14 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 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3nnk h ARG 223 CO 0.00 0.22 0.00 0.54 -1.07 0.00 0.00 179.97 179.66 3nnk n ARG 224 N -3.50 1.72 -1.54 0.04 5.12 -0.87 -1.08 116.66 116.54 3nnk n ARG 224 Ca -0.01 -1.06 -0.45 0.00 -1.93 0.00 0.00 57.85 54.41 3nnk n ARG 224 Cb 0.38 -1.46 -0.01 0.00 -1.16 0.00 0.00 32.46 30.21 3nnk n ARG 224 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3nnk n LYS 225 N 0.28 1.02 -3.15 5.56 4.01 -1.17 -4.04 118.16 120.67 3nnk n LYS 225 Ca 0.18 0.36 0.05 0.00 -0.51 0.00 0.00 58.31 58.39 3nnk n LYS 225 Cb 0.36 -1.66 -0.00 0.00 -0.51 0.00 0.00 35.03 33.23 3nnk n LYS 225 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3nnk s VAL 227 N 2.94 4.64 0.22 0.00 1.01 -1.26 -4.97 120.40 122.97 3nnk s VAL 227 Ca 0.24 1.66 -0.32 0.00 0.00 0.00 0.00 61.98 63.56 3nnk s VAL 227 Cb -0.03 -4.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 3nnk s VAL 227 CO -0.22 0.40 1.46 1.21 0.00 0.00 0.00 175.10 177.95 3nnk n GLU 228 N 2.52 2.08 -0.16 2.72 0.00 -1.26 -4.71 120.64 121.83 3nnk n GLU 228 Ca -0.03 0.75 -0.03 0.00 0.00 0.00 0.00 57.16 57.84 3nnk n GLU 228 Cb 0.50 -2.44 0.06 0.00 0.00 0.00 0.00 31.44 29.56 3nnk n GLU 228 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3nnk h GLU 229 N 4.74 0.40 0.00 5.31 -0.00 -1.94 0.20 114.58 123.29 3nnk h GLU 229 Ca -0.45 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 58.88 3nnk h GLU 229 Cb 1.27 -0.09 -0.00 0.00 -0.00 0.00 0.00 28.75 29.93 3nnk h GLU 229 CO 0.80 0.27 -0.03 0.78 -0.00 0.00 0.00 179.01 180.82 3nnk h GLY 230 N 0.41 0.00 0.00 1.06 0.00 -2.01 -2.47 103.07 100.07 3nnk h GLY 230 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3nnk h GLY 230 CO -0.21 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.62 3nnk n ILE 231 N -3.44 0.41 -2.70 2.60 -5.35 -0.91 -5.01 119.36 104.96 3nnk n ILE 231 Ca -0.02 -0.70 -0.42 0.00 -0.27 0.00 0.00 62.75 61.33 3nnk n ILE 231 Cb 0.14 0.80 -0.03 0.00 -1.74 0.00 0.00 39.64 38.81 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 -0.41 4.46 0.52 6.28 3.52 0.64 -4.94 118.95 129.02 3nnk s ARG 232 Ca 0.00 1.39 0.05 0.00 -0.13 0.00 0.00 55.73 57.04 3nnk s ARG 232 Cb 0.00 -3.52 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 3nnk s ARG 232 CO 0.00 -0.24 0.27 0.95 -0.81 0.00 0.00 175.30 175.47 3nnk s THR 233 N 1.74 1.62 0.32 4.11 -4.23 -1.26 -4.95 115.64 112.99 3nnk s THR 233 Ca 0.49 -1.65 0.36 0.00 -1.18 0.00 0.00 61.69 59.71 3nnk s THR 233 Cb -0.19 -2.27 0.39 0.00 1.34 0.00 0.00 72.50 71.77 3nnk s THR 233 CO 0.20 0.00 2.11 0.44 -0.54 0.00 0.00 174.62 176.83 3nnk h ASP 234 N 1.00 0.00 0.62 3.99 3.45 -2.02 -2.30 116.42 121.16 3nnk h ASP 234 Ca -0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.06 3nnk h ASP 234 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 3nnk h ASP 234 CO 0.63 0.03 0.00 0.00 -1.57 0.00 0.00 179.24 178.33 3nnk n ALA 235 N -2.12 2.44 -2.90 3.45 0.00 -1.26 -4.86 120.51 115.25 3nnk n ALA 235 Ca -0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 3nnk n ALA 235 Cb 0.23 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 3nnk n ALA 235 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3nnk s HIS 236 N -2.64 3.55 0.24 0.00 3.76 -0.87 -5.12 115.29 114.21 3nnk s HIS 236 Ca 0.26 0.35 -0.14 0.00 -0.15 0.00 0.00 55.06 55.38 3nnk s HIS 236 Cb 0.20 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 32.07 3nnk s HIS 236 CO 0.46 0.64 0.50 -0.98 -0.85 0.00 0.00 174.74 174.50 3nnk s ARG 237 N -2.03 1.52 1.02 1.40 1.70 -1.26 -4.92 118.95 116.38 3nnk s ARG 237 Ca 0.29 -1.16 -0.17 0.00 -0.47 0.00 0.00 55.73 54.21 3nnk s ARG 237 Cb -0.13 0.49 0.24 0.00 -0.57 0.00 0.00 34.95 34.98 3nnk s ARG 237 CO 0.20 -0.64 1.31 -0.25 -1.08 0.00 0.00 175.30 174.84 3nnk n ASP 238 N -0.37 -0.21 -1.18 -2.89 8.00 -1.26 -4.67 116.55 113.97 3nnk n ASP 238 Ca -0.04 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3nnk n ASP 238 Cb 0.62 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 3nnk n ASP 238 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nnk n GLY 239 N -3.91 2.59 1.04 0.44 0.00 -0.79 -4.89 105.19 99.66 3nnk n GLY 239 Ca 0.17 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 44.20 3nnk n GLY 239 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3nnk n ASP 240 N -1.56 3.12 -4.56 1.61 5.75 -0.80 -4.90 116.55 115.21 3nnk n ASP 240 Ca 0.00 -1.95 -0.25 0.00 -0.01 0.00 0.00 54.79 52.58 3nnk n ASP 240 Cb 0.00 -0.18 -0.09 0.00 -1.03 0.00 0.00 41.12 39.82 3nnk n ASP 240 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3nnk s GLU 241 N -1.63 2.00 0.71 0.11 2.02 -0.25 -5.04 118.70 116.63 3nnk s GLU 241 Ca 0.36 -1.47 -0.16 0.00 0.02 0.00 0.00 54.97 53.72 3nnk s GLU 241 Cb 0.22 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.44 3nnk s GLU 241 CO 0.31 0.38 1.23 -1.83 0.02 0.00 0.00 175.26 175.36 3nnk s GLU 242 N -3.29 2.21 0.76 1.61 -1.05 -1.26 -4.49 118.70 113.19 3nnk s GLU 242 Ca 0.28 1.83 -0.15 0.00 -0.15 0.00 0.00 54.97 56.79 3nnk s GLU 242 Cb -0.07 -1.83 0.06 0.00 -0.44 0.00 0.00 34.13 31.84 3nnk s GLU 242 CO 0.16 -1.80 1.23 0.00 0.95 0.00 0.00 175.26 175.80 3nnk s MET 243 N -3.79 1.89 -0.02 -4.83 0.23 -1.26 -4.68 119.30 106.85 3nnk s MET 243 Ca 0.76 1.84 -0.30 0.00 -1.03 0.00 0.00 55.69 56.96 3nnk s MET 243 Cb -0.31 -1.80 -0.04 0.00 -1.53 0.00 0.00 34.83 31.15 3nnk s MET 243 CO 0.44 -2.04 1.23 0.42 -2.03 0.00 0.00 175.02 173.04 3nnk s ILE 244 N -1.94 4.11 -1.28 3.16 1.01 -1.26 -4.92 121.20 120.08 3nnk s ILE 244 Ca 0.76 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 62.80 3nnk s ILE 244 Cb -0.31 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 3nnk s ILE 244 CO 0.47 0.03 2.89 -1.22 0.00 0.00 0.00 174.94 177.11 3nnk n TYR 245 N 4.91 2.11 -3.62 3.97 4.01 -1.26 -4.70 117.16 122.58 3nnk n TYR 245 Ca 0.11 -2.76 -0.07 0.00 -0.16 0.00 0.00 57.90 55.02 3nnk n TYR 245 Cb 0.46 -2.15 -0.06 0.00 -0.31 0.00 0.00 39.34 37.28 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 1.58 -0.25 -0.20 7.72 0.15 -1.26 -5.07 113.70 116.36 3nnk s SER 246 Ca 0.65 0.38 -0.17 0.00 0.70 0.00 0.00 55.95 57.51 3nnk s SER 246 Cb 0.21 0.35 -0.13 0.00 -1.71 0.00 0.00 66.02 64.74 3nnk s SER 246 CO -0.07 -0.15 -0.01 -3.20 1.20 0.00 0.00 173.24 171.01 3nnk n ASN 247 N 1.27 1.87 -0.06 5.45 5.15 -1.26 -3.72 115.26 123.96 3nnk n ASN 247 Ca -0.09 0.45 -0.02 0.00 -0.60 0.00 0.00 54.58 54.33 3nnk n ASN 247 Cb 0.57 -0.91 0.24 0.00 -0.53 0.00 0.00 39.78 39.16 3nnk n ASN 247 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3nnk h TYR 248 N -1.00 0.69 -0.54 1.20 3.20 -1.98 -2.94 116.97 115.61 3nnk h TYR 248 Ca -0.31 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3nnk h TYR 248 Cb 1.16 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3nnk h TYR 248 CO -0.04 0.63 0.00 1.19 -1.64 0.00 0.00 178.16 178.30 3nnk n PHE 249 N -4.27 1.86 -2.47 -3.82 3.72 -1.26 -4.87 117.46 106.35 3nnk n PHE 249 Ca 0.02 -0.74 -0.40 0.00 -0.05 0.00 0.00 57.45 56.28 3nnk n PHE 249 Cb 0.24 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 3nnk n PHE 249 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3nnk s ASP 250 N -0.97 6.09 0.61 4.37 -1.08 -1.11 -4.58 116.67 119.99 3nnk s ASP 250 Ca 0.52 -0.59 0.39 0.00 -0.52 0.00 0.00 52.55 52.35 3nnk s ASP 250 Cb 0.40 -2.56 1.96 0.00 -1.46 0.00 0.00 42.92 41.26 3nnk s ASP 250 CO 0.16 -1.87 2.21 -0.07 0.52 0.00 0.00 175.17 176.12 3nnk h LEU 251 N 13.58 0.00 -0.61 -1.34 3.38 -1.89 -1.17 115.31 127.25 3nnk h LEU 251 Ca -0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3nnk h LEU 251 Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3nnk h LEU 251 CO 1.30 0.02 0.01 1.23 0.09 0.00 0.00 178.44 181.09 3nnk h GLY 252 N 0.73 1.16 2.00 0.83 0.00 -1.89 -0.43 103.07 105.47 3nnk h GLY 252 Ca -0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 47.33 46.33 3nnk h GLY 252 CO 0.00 0.78 -0.69 -0.33 0.00 0.00 0.00 176.54 176.30 3nnk h MET 253 N 0.98 0.00 -0.28 4.80 2.86 -1.61 -2.43 114.93 119.25 3nnk h MET 253 Ca 0.17 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.65 3nnk h MET 253 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3nnk h MET 253 CO 0.03 0.69 -0.47 0.28 1.06 0.00 0.00 176.91 178.50 3nnk h VAL 254 N 0.00 1.29 -0.65 -2.22 2.07 -1.32 -2.48 116.25 112.95 3nnk h VAL 254 Ca -0.01 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 65.79 3nnk h VAL 254 Cb 1.42 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 3nnk h VAL 254 CO 0.09 0.54 0.15 0.24 0.02 0.00 0.00 177.57 178.61 3nnk h MET 255 N 0.60 1.02 0.00 1.57 2.86 -0.96 -2.37 114.93 117.64 3nnk h MET 255 Ca 0.03 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3nnk h MET 255 Cb 1.04 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3nnk h MET 255 CO 0.10 0.90 0.00 -0.44 1.06 0.00 0.00 176.91 178.53 3nnk h ASP 256 N 0.97 0.00 0.67 1.22 3.32 -1.41 -1.42 116.42 119.76 3nnk h ASP 256 Ca 0.21 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.99 3nnk h ASP 256 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3nnk h ASP 256 CO 0.00 0.00 -1.24 0.22 -1.72 0.00 0.00 179.24 176.50 3nnk h TYR 257 N 0.00 0.42 0.00 4.55 3.20 -1.20 0.17 116.97 124.12 3nnk h TYR 257 Ca 0.00 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.56 3nnk h TYR 257 Cb 0.79 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.04 3nnk h TYR 257 CO 0.00 1.25 -0.72 -1.49 -1.64 0.00 0.00 178.16 175.56 3nnk h TRP 258 N 0.06 0.00 -3.41 -3.82 4.06 -1.34 -3.39 115.95 108.11 3nnk h TRP 258 Ca -0.13 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.37 3nnk h TRP 258 Cb 1.95 0.00 0.15 0.00 -1.00 0.00 0.00 29.16 30.26 3nnk h TRP 258 CO 0.06 0.00 0.34 0.20 -3.56 0.00 0.00 178.44 175.47 3nnk s GLY 259 N -4.24 1.79 0.10 1.49 0.00 -0.55 -4.91 107.32 101.00 3nnk s GLY 259 Ca 0.02 -1.41 0.10 0.00 0.00 0.00 0.00 44.72 43.43 3nnk s GLY 259 CO 0.75 -0.67 1.32 -1.55 0.00 0.00 0.00 173.10 172.94 3nnk n PRO 260 N -3.54 0.05 0.09 2.90 -0.04 -1.26 -1.16 135.00 132.05 3nnk n PRO 260 Ca 0.16 0.47 -0.14 0.00 -0.04 0.00 0.00 63.50 63.96 3nnk n PRO 260 Cb 0.60 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 3nnk n PRO 260 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3nnk h GLU 261 N 0.00 0.20 -4.50 0.54 3.07 -1.93 -3.48 114.58 108.47 3nnk h GLU 261 Ca 0.00 -0.34 -0.39 0.00 -0.50 0.00 0.00 59.36 58.13 3nnk h GLU 261 Cb 0.09 0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.14 3nnk h GLU 261 CO 0.00 1.14 -0.57 0.54 -1.40 0.00 0.00 179.01 178.72 3nnk n ARG 262 N -3.47 -4.04 -1.68 2.33 5.12 -0.30 -4.89 116.66 109.72 3nnk n ARG 262 Ca -0.08 0.80 -0.55 0.00 -1.93 0.00 0.00 57.85 56.10 3nnk n ARG 262 Cb 1.01 -5.59 -0.06 0.00 -1.16 0.00 0.00 32.46 26.65 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 -3.77 2.44 -4.55 0.55 -0.00 0.56 -4.80 117.00 107.43 3nnk n LEU 263 Ca -0.11 1.07 -0.35 0.00 -0.00 0.00 0.00 56.01 56.62 3nnk n LEU 263 Cb 0.61 -1.20 -0.03 0.00 -0.00 0.00 0.00 43.42 42.80 3nnk n LEU 263 CO 0.44 -0.48 1.64 0.21 -0.00 0.00 0.00 177.39 179.20 3nnk s ASN 264 N 2.97 4.99 -0.26 1.96 3.84 -1.26 -3.73 114.94 123.45 3nnk s ASN 264 Ca 0.94 0.34 -0.06 0.00 0.21 0.00 0.00 52.86 54.30 3nnk s ASN 264 Cb -0.98 -2.53 -0.14 0.00 -0.55 0.00 0.00 41.25 37.06 3nnk s ASN 264 CO 0.59 -2.63 -0.28 1.57 -2.79 0.00 0.00 177.10 173.56 3nnk n HIS 265 N 13.96 0.00 -3.49 0.43 -0.00 -1.26 -4.92 115.22 119.94 3nnk n HIS 265 Ca 0.28 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.89 3nnk n HIS 265 Cb 0.52 -0.95 -0.03 0.00 -0.00 0.00 0.00 29.99 29.53 3nnk n HIS 265 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 3nnk s HIS 266 N -2.49 -0.46 -0.52 1.57 -3.43 -1.26 -5.05 115.29 103.65 3nnk s HIS 266 Ca -0.35 0.46 -0.28 0.00 -0.80 0.00 0.00 55.06 54.09 3nnk s HIS 266 Cb 0.11 0.51 -0.00 0.00 -1.43 0.00 0.00 32.58 31.77 3nnk s HIS 266 CO 0.52 -0.61 1.63 0.99 -2.00 0.00 0.00 174.74 175.26 3nnk s THR 267 N -2.69 3.60 0.18 -5.38 2.01 -1.26 -4.95 115.64 107.15 3nnk s THR 267 Ca 0.00 0.50 -0.33 0.00 0.31 0.00 0.00 61.69 62.17 3nnk s THR 267 Cb -0.01 -4.11 -0.14 0.00 0.01 0.00 0.00 72.50 68.25 3nnk s THR 267 CO -0.06 -0.92 1.47 1.21 -0.69 0.00 0.00 174.62 175.64 3nnk n GLU 268 N 8.74 1.97 -1.66 4.92 4.07 -1.26 -4.81 120.64 132.61 3nnk n GLU 268 Ca 0.17 0.71 -0.28 0.00 -0.06 0.00 0.00 57.16 57.70 3nnk n GLU 268 Cb 0.49 -2.41 -0.04 0.00 -0.06 0.00 0.00 31.44 29.42 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 0.45 1.38 0.15 4.31 0.00 -1.26 -4.85 121.76 121.93 3nnk s ALA 269 Ca 0.75 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 3nnk s ALA 269 Cb -0.70 -4.44 0.03 0.00 0.00 0.00 0.00 23.12 18.01 3nnk s ALA 269 CO 0.44 -4.92 1.65 1.15 0.00 0.00 0.00 175.76 174.08 3nnk h THR 270 N 7.57 0.48 -0.62 0.00 2.02 -1.97 -0.77 112.91 119.62 3nnk h THR 270 Ca -0.14 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 3nnk h THR 270 Cb 1.15 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 3nnk h THR 270 CO 1.12 0.00 0.03 0.74 0.37 0.00 0.00 175.52 177.78 3nnk h THR 271 N -0.19 1.27 0.00 3.16 2.02 -1.91 -2.63 112.91 114.62 3nnk h THR 271 Ca 0.13 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.13 3nnk h THR 271 Cb 0.40 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3nnk h THR 271 CO -0.35 0.41 -0.34 0.00 0.37 0.00 0.00 175.52 175.61 3nnk h ALA 272 N 1.00 1.39 -0.37 6.16 0.00 -1.84 -0.89 119.26 124.71 3nnk h ALA 272 Ca 0.18 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3nnk h ALA 272 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3nnk h ALA 272 CO 0.03 0.43 -0.26 1.25 0.00 0.00 0.00 179.25 180.69 3nnk h LEU 273 N 0.00 0.88 -1.06 0.00 6.46 -0.88 0.16 115.31 120.87 3nnk h LEU 273 Ca -0.00 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.29 3nnk h LEU 273 Cb 0.62 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 3nnk h LEU 273 CO 0.04 1.13 0.32 -0.26 -0.62 0.00 0.00 178.44 179.05 3nnk h PHE 274 N 0.64 0.98 -0.31 1.25 0.04 -1.17 -0.34 116.94 118.03 3nnk h PHE 274 Ca 0.07 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 3nnk h PHE 274 Cb 0.83 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3nnk h PHE 274 CO 0.06 0.72 0.05 0.78 -0.60 0.00 0.00 178.31 179.32 3nnk h GLY 275 N 1.04 0.55 2.00 -1.45 0.00 -0.87 -3.12 103.07 101.22 3nnk h GLY 275 Ca 0.24 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 3nnk h GLY 275 CO -0.03 0.34 -0.59 0.00 0.00 0.00 0.00 176.54 176.26 3nnk h ALA 276 N 0.88 0.85 -0.41 3.60 0.00 -0.52 -3.15 119.26 120.52 3nnk h ALA 276 Ca 0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3nnk h ALA 276 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3nnk h ALA 276 CO 0.01 0.74 0.10 -0.09 0.00 0.00 0.00 179.25 180.01 3nnk h ARG 277 N 0.00 0.65 -0.37 0.00 2.43 -1.05 -3.10 114.38 112.94 3nnk h ARG 277 Ca -0.01 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 58.86 3nnk h ARG 277 Cb 1.17 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3nnk h ARG 277 CO 0.08 0.66 -0.35 0.93 -1.51 0.00 0.00 179.97 179.78 3nnk h GLU 278 N 0.52 0.88 -0.18 0.20 4.39 -1.58 -1.68 114.58 117.13 3nnk h GLU 278 Ca 0.13 -0.46 0.05 0.00 0.34 0.00 0.00 59.36 59.42 3nnk h GLU 278 Cb 0.30 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 3nnk h GLU 278 CO 0.00 1.11 -0.38 0.00 -1.16 0.00 0.00 179.01 178.58 3nnk h ALA 280 N 0.30 0.57 -0.52 0.00 0.00 -1.55 -2.14 119.26 115.91 3nnk h ALA 280 Ca 0.10 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3nnk h ALA 280 Cb 0.59 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3nnk h ALA 280 CO -0.41 0.11 0.25 -0.09 0.00 0.00 0.00 179.25 179.10 3nnk h ARG 281 N 0.57 0.47 -0.18 0.00 2.43 -0.72 -1.60 114.38 115.35 3nnk h ARG 281 Ca 0.15 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 3nnk h ARG 281 Cb 0.08 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3nnk h ARG 281 CO -0.02 0.31 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.24 3nnk h LEU 282 N 0.49 0.49 -0.87 3.80 3.38 -0.20 -1.42 115.31 120.97 3nnk h LEU 282 Ca 0.24 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3nnk h LEU 282 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3nnk h LEU 282 CO -0.18 0.87 0.16 0.40 0.09 0.00 0.00 178.44 179.78 3nnk h ILE 283 N 0.37 1.25 0.00 1.22 2.04 -1.01 -2.72 117.51 118.66 3nnk h ILE 283 Ca 0.03 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 3nnk h ILE 283 Cb 0.93 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3nnk h ILE 283 CO 0.08 0.34 -0.66 -0.07 0.00 0.00 0.00 178.15 177.84 3nnk h LEU 284 N 0.95 0.00 -0.31 1.44 3.38 -1.07 -0.99 115.31 118.71 3nnk h LEU 284 Ca 0.20 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 3nnk h LEU 284 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3nnk h LEU 284 CO -0.00 0.39 -0.56 1.56 0.09 0.00 0.00 178.44 179.92 3nnk h GLN 285 N 0.00 0.85 -0.03 1.13 4.20 -1.22 -2.96 115.11 117.08 3nnk h GLN 285 Ca -0.04 -0.55 -0.15 0.00 0.06 0.00 0.00 58.65 57.98 3nnk h GLN 285 Cb 1.33 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 3nnk h GLN 285 CO 0.04 1.18 -0.68 1.49 -0.67 0.00 0.00 178.83 180.19 3nnk h GLU 286 N 0.65 0.12 -0.08 1.46 4.81 -1.53 -3.50 114.58 116.51 3nnk h GLU 286 Ca 0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3nnk h GLU 286 Cb 1.16 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3nnk h GLU 286 CO 0.12 0.75 0.00 0.41 -0.73 0.00 0.00 179.01 179.57 3nnk n GLY 287 N 0.42 -0.45 0.37 1.92 0.00 -0.38 -4.58 105.19 102.50 3nnk n GLY 287 Ca -0.02 -1.18 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 1.09 -0.78 0.99 5.85 -1.84 0.02 115.31 120.65 3nnk h LEU 288 Ca 0.00 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3nnk h LEU 288 Cb 0.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3nnk h LEU 288 CO 0.00 0.76 0.18 0.44 -0.34 0.00 0.00 178.44 179.48 3nnk h ASP 289 N 1.27 1.03 -0.34 1.25 5.19 -1.91 -1.54 116.42 121.37 3nnk h ASP 289 Ca 0.39 -0.21 -0.14 0.00 -0.62 0.00 0.00 57.03 56.45 3nnk h ASP 289 Cb -0.04 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.19 3nnk h ASP 289 CO -0.11 0.98 -0.30 1.88 -3.12 0.00 0.00 179.24 178.58 3nnk h TYR 290 N 1.04 1.00 -0.09 4.55 0.05 -1.65 -2.04 116.97 119.84 3nnk h TYR 290 Ca 0.22 -0.26 0.04 0.00 0.05 0.00 0.00 58.73 58.78 3nnk h TYR 290 Cb 0.35 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.81 3nnk h TYR 290 CO 0.03 1.05 -0.20 0.78 -1.05 0.00 0.00 178.16 178.76 3nnk h GLY 291 N 0.90 -0.21 0.89 3.88 0.00 -0.60 -0.67 103.07 107.25 3nnk h GLY 291 Ca 0.08 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3nnk h GLY 291 CO 0.07 -0.18 0.08 -2.22 0.00 0.00 0.00 176.54 174.29 3nnk h ILE 292 N -0.27 1.20 -0.64 2.60 2.04 -1.30 -2.12 117.51 119.01 3nnk h ILE 292 Ca 0.09 -0.63 0.14 0.00 1.00 0.00 0.00 64.86 65.46 3nnk h ILE 292 Cb 0.40 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3nnk h ILE 292 CO -0.25 0.21 0.44 0.00 0.00 0.00 0.00 178.15 178.55 3nnk h ALA 293 N 0.90 2.24 -0.18 1.87 0.00 -1.20 0.67 119.26 123.56 3nnk h ALA 293 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3nnk h ALA 293 Cb 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3nnk h ALA 293 CO -0.00 -0.41 -0.30 -0.09 0.00 0.00 0.00 179.25 178.45 3nnk h ARG 294 N 0.26 0.52 -0.61 0.00 2.43 -0.80 -2.58 114.38 113.60 3nnk h ARG 294 Ca 0.31 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3nnk h ARG 294 Cb 0.85 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3nnk h ARG 294 CO -0.07 0.92 0.21 0.45 -1.51 0.00 0.00 179.97 179.98 3nnk h HIS 295 N 0.18 0.93 -0.50 2.20 3.86 -0.46 -2.47 115.15 118.88 3nnk h HIS 295 Ca 0.01 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 3nnk h HIS 295 Cb 0.88 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 3nnk h HIS 295 CO 0.09 0.73 0.07 -0.22 0.86 0.00 0.00 177.93 179.46 3nnk h LYS 296 N 0.89 0.84 0.25 2.45 3.64 -0.98 -2.47 116.57 121.19 3nnk h LYS 296 Ca 0.21 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3nnk h LYS 296 Cb 0.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3nnk h LYS 296 CO -0.01 0.84 -0.12 1.25 -2.27 0.00 0.00 179.45 179.14 3nnk h LEU 297 N 0.71 -0.28 -0.62 5.20 5.85 -1.14 -1.27 115.31 123.76 3nnk h LEU 297 Ca 0.15 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 3nnk h LEU 297 Cb 0.42 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3nnk h LEU 297 CO 0.01 -0.17 -0.62 0.45 -0.34 0.00 0.00 178.44 177.78 3nnk h HIS 298 N -0.37 0.00 -0.36 1.25 3.86 -1.52 -2.44 115.15 115.56 3nnk h HIS 298 Ca -0.03 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.05 3nnk h HIS 298 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3nnk h HIS 298 CO -0.05 0.62 -0.27 0.78 0.86 0.00 0.00 177.93 179.87 3nnk h GLY 299 N 2.21 0.89 0.99 2.45 0.00 -1.42 -2.75 103.07 105.44 3nnk h GLY 299 Ca -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 47.33 46.42 3nnk h GLY 299 CO 0.08 0.78 0.17 -0.55 0.00 0.00 0.00 176.54 177.01 3nnk h ASP 300 N 0.61 0.80 -0.13 0.19 5.19 -1.10 -1.87 116.42 120.12 3nnk h ASP 300 Ca 0.07 -0.21 -0.08 0.00 -0.62 0.00 0.00 57.03 56.19 3nnk h ASP 300 Cb 0.84 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 3nnk h ASP 300 CO 0.07 0.80 -0.17 0.00 -3.12 0.00 0.00 179.24 176.82 3nnk h ALA 301 N 1.03 1.17 -0.60 3.45 0.00 -1.50 -1.59 119.26 121.22 3nnk h ALA 301 Ca 0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3nnk h ALA 301 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3nnk h ALA 301 CO -0.00 0.53 0.04 1.25 0.00 0.00 0.00 179.25 181.07 3nnk h LEU 302 N 0.47 0.98 0.37 0.00 5.85 -1.32 -1.52 115.31 120.14 3nnk h LEU 302 Ca 0.08 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3nnk h LEU 302 Cb 0.57 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3nnk h LEU 302 CO 0.04 1.01 -0.18 0.58 -0.34 0.00 0.00 178.44 179.55 3nnk h VAL 303 N 0.94 0.65 -0.55 1.05 2.07 -0.88 -1.49 116.25 118.04 3nnk h VAL 303 Ca 0.18 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3nnk h VAL 303 Cb 0.48 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3nnk h VAL 303 CO 0.02 0.03 0.29 0.11 0.02 0.00 0.00 177.57 178.03 3nnk h LYS 304 N -0.57 0.53 -0.40 1.57 1.57 -1.26 0.19 116.57 118.21 3nnk h LYS 304 Ca -0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3nnk h LYS 304 Cb 0.42 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3nnk h LYS 304 CO 0.08 0.35 0.17 0.78 -0.57 0.00 0.00 179.45 180.26 3nnk h GLY 305 N 0.55 0.63 0.96 3.86 0.00 -1.28 -0.02 103.07 107.76 3nnk h GLY 305 Ca 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3nnk h GLY 305 CO -0.17 0.32 0.17 -2.22 0.00 0.00 0.00 176.54 174.64 3nnk h ILE 306 N 0.50 1.14 -0.42 2.60 1.08 -0.86 -1.62 117.51 119.92 3nnk h ILE 306 Ca 0.13 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3nnk h ILE 306 Cb 0.17 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 3nnk h ILE 306 CO -0.01 0.14 0.26 1.56 -0.69 0.00 0.00 178.15 179.41 3nnk h GLN 307 N 0.39 0.57 0.00 2.37 4.20 -0.47 -2.00 115.11 120.17 3nnk h GLN 307 Ca 0.11 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3nnk h GLN 307 Cb 0.07 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 3nnk h GLN 307 CO -0.02 0.40 -0.02 0.00 -0.67 0.00 0.00 178.83 178.53 3nnk h ALA 308 N 1.13 1.02 0.00 3.87 0.00 -0.94 -1.74 119.26 122.60 3nnk h ALA 308 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3nnk h ALA 308 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3nnk h ALA 308 CO -0.03 0.02 0.00 -0.12 0.00 0.00 0.00 179.25 179.12 3nnk n MET 309 N -3.14 0.22 -0.70 0.00 0.00 -0.62 -4.27 117.12 108.62 3nnk n MET 309 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 57.70 58.04 3nnk n MET 309 Cb 0.26 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 31.63 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 0.50 1.09 3.73 -5.12 0.00 -0.65 -4.80 105.19 99.93 3nnk n GLY 310 Ca 0.03 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 3.77 0.48 0.99 1.43 -1.14 -5.07 118.68 119.14 3nnk s LEU 311 Ca 0.00 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.11 3nnk s LEU 311 Cb 0.00 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 3nnk s LEU 311 CO 0.00 0.38 1.04 -1.61 0.23 0.00 0.00 176.35 176.39 3nnk s GLU 312 N -0.93 3.84 -0.05 1.70 2.02 -1.26 -4.42 118.70 119.60 3nnk s GLU 312 Ca 0.14 1.36 0.05 0.00 0.02 0.00 0.00 54.97 56.54 3nnk s GLU 312 Cb -0.11 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 3nnk s GLU 312 CO 0.03 -0.40 -0.19 0.95 0.02 0.00 0.00 175.26 175.68 3nnk s THR 313 N -1.97 2.67 -0.13 3.63 -4.23 -1.26 -1.05 115.64 113.31 3nnk s THR 313 Ca 0.66 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 60.05 3nnk s THR 313 Cb -0.16 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 3nnk s THR 313 CO 0.20 0.58 0.88 0.12 -0.54 0.00 0.00 174.62 175.86 3nnk s PHE 314 N -0.50 3.48 0.00 3.99 5.36 0.47 -4.90 117.98 125.88 3nnk s PHE 314 Ca 0.06 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 3nnk s PHE 314 Cb -0.11 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 3nnk s PHE 314 CO 0.01 -0.19 0.00 0.41 -1.46 0.00 0.00 175.22 173.99 3nnk n GLY 315 N 3.27 -2.75 3.60 13.12 0.00 -1.26 -4.61 105.19 116.57 3nnk n GLY 315 Ca 0.05 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.40 6.64 0.25 1.61 2.15 -1.18 -4.91 116.67 118.83 3nnk s ASP 316 Ca 0.00 0.54 0.24 0.00 0.43 0.00 0.00 52.55 53.76 3nnk s ASP 316 Cb 0.00 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 41.01 3nnk s ASP 316 CO 0.00 -1.23 1.73 0.18 -0.17 0.00 0.00 175.17 175.68 3nnk n LEU 317 N 7.81 0.71 -0.06 -1.34 4.77 -1.26 -2.97 117.00 124.66 3nnk n LEU 317 Ca 0.12 0.64 -0.06 0.00 -0.03 0.00 0.00 56.01 56.68 3nnk n LEU 317 Cb 0.49 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 41.19 3nnk n LEU 317 CO 0.71 -0.47 0.72 0.11 -1.33 0.00 0.00 177.39 177.13 3nnk h LYS 318 N 0.00 0.70 -0.35 3.23 1.57 -2.01 -3.22 116.57 116.48 3nnk h LYS 318 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3nnk h LYS 318 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3nnk h LYS 318 CO 0.00 0.86 0.00 0.72 -0.57 0.00 0.00 179.45 180.46 3nnk n HIS 319 N -4.12 0.81 -2.04 -1.35 8.25 -1.16 -5.02 115.22 110.59 3nnk n HIS 319 Ca 0.00 -0.68 -0.38 0.00 -0.26 0.00 0.00 57.72 56.40 3nnk n HIS 319 Cb 0.42 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.90 3.67 0.61 -0.41 2.20 -1.18 -0.31 119.74 122.43 3nnk s LYS 320 Ca 0.35 2.06 -0.18 0.00 -0.36 0.00 0.00 55.97 57.84 3nnk s LYS 320 Cb 0.24 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 34.03 3nnk s LYS 320 CO 0.14 -0.71 1.20 -1.64 -0.36 0.00 0.00 175.35 173.98 3nnk s MET 321 N -2.57 2.89 0.42 4.03 -1.94 -0.66 -4.71 119.30 116.76 3nnk s MET 321 Ca 0.63 1.78 0.14 0.00 -1.71 0.00 0.00 55.69 56.53 3nnk s MET 321 Cb -0.36 -1.92 0.90 0.00 2.01 0.00 0.00 34.83 35.46 3nnk s MET 321 CO 0.44 -1.26 1.92 -0.91 -0.01 0.00 0.00 175.02 175.21 3nnk h ASN 322 N 0.72 0.00 -0.02 3.03 2.35 -1.87 -3.32 115.58 116.46 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 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3nnk h ASN 322 CO 0.55 0.26 -0.14 -0.46 -1.65 0.00 0.00 177.43 175.99 3nnk n ASN 323 N -4.19 2.62 -3.83 5.81 6.94 -1.26 -4.00 115.26 117.35 3nnk n ASN 323 Ca -0.02 -1.81 -0.12 0.00 -0.02 0.00 0.00 54.58 52.61 3nnk n ASN 323 Cb 0.31 0.14 -0.13 0.00 -2.36 0.00 0.00 39.78 37.75 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 -2.04 0.00 -0.06 3.53 1.01 -1.25 0.26 120.40 121.86 3nnk s VAL 324 Ca 0.24 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.22 3nnk s VAL 324 Cb 0.18 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.37 3nnk s VAL 324 CO 0.36 -0.01 -0.12 -0.22 0.00 0.00 0.00 175.10 175.11 3nnk s LEU 325 N 0.02 1.68 -0.38 3.92 0.20 -0.48 -4.50 118.68 119.13 3nnk s LEU 325 Ca -0.01 -0.29 -0.19 0.00 0.69 0.00 0.00 54.13 54.34 3nnk s LEU 325 Cb -0.01 -0.80 0.01 0.00 -0.43 0.00 0.00 46.19 44.96 3nnk s LEU 325 CO 0.00 0.05 0.57 -0.83 -0.29 0.00 0.00 176.35 175.85 3nnk s GLY 326 N 0.54 1.78 -0.23 7.98 0.00 -1.26 -1.34 107.32 114.80 3nnk s GLY 326 Ca -0.12 -1.09 -0.08 0.00 0.00 0.00 0.00 44.72 43.43 3nnk s GLY 326 CO 0.03 1.38 0.08 0.14 0.00 0.00 0.00 173.10 174.73 3nnk s VAL 327 N 2.56 4.56 -0.03 1.40 1.01 0.33 -0.39 120.40 129.83 3nnk s VAL 327 Ca 0.20 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3nnk s VAL 327 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3nnk s VAL 327 CO 0.15 0.37 1.22 -0.69 0.00 0.00 0.00 175.10 176.15 3nnk s VAL 328 N 1.23 4.17 -0.05 2.92 1.01 -0.21 0.12 120.40 129.58 3nnk s VAL 328 Ca 0.05 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 3nnk s VAL 328 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3nnk s VAL 328 CO 0.04 0.02 1.36 -0.63 0.00 0.00 0.00 175.10 175.88 3nnk s ILE 329 N 2.05 3.91 0.61 2.22 1.01 0.78 -4.49 121.20 127.30 3nnk s ILE 329 Ca 0.57 1.24 -0.19 0.00 0.00 0.00 0.00 60.65 62.27 3nnk s ILE 329 Cb -0.26 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3nnk s ILE 329 CO 0.24 -0.03 1.30 -2.65 0.00 0.00 0.00 174.94 173.79 3nnk n PRO 330 N 5.73 1.32 -1.99 2.79 -0.02 -1.26 -4.93 135.00 136.64 3nnk n PRO 330 Ca 0.13 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 3nnk n PRO 330 Cb 0.44 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3nnk n PRO 330 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3nnk s GLN 331 N -3.15 4.22 0.00 -0.52 0.00 -1.26 -2.16 119.66 116.79 3nnk s GLN 331 Ca 0.78 2.26 0.00 0.00 -0.00 0.00 0.00 55.36 58.41 3nnk s GLN 331 Cb -0.40 -3.50 0.00 0.00 0.00 0.00 0.00 33.01 29.11 3nnk s GLN 331 CO 0.44 -0.67 0.00 0.41 0.00 0.00 0.00 175.29 175.47 3nnk n GLY 332 N 3.87 0.86 3.69 2.60 0.00 -1.26 -5.05 105.19 109.89 3nnk n GLY 332 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nnk s ILE 333 N -2.23 5.28 -0.24 -0.61 -5.25 -0.92 -5.05 121.20 112.17 3nnk s ILE 333 Ca 0.00 0.52 -0.29 0.00 -0.99 0.00 0.00 60.65 59.89 3nnk s ILE 333 Cb 0.00 -3.64 0.01 0.00 2.95 0.00 0.00 42.46 41.78 3nnk s ILE 333 CO 0.00 0.32 1.10 0.21 -1.79 0.00 0.00 174.94 174.78 3nnk s ASN 334 N 0.86 7.02 0.14 4.36 3.84 -1.26 -4.75 114.94 125.15 3nnk s ASN 334 Ca 0.15 1.36 -0.20 0.00 0.21 0.00 0.00 52.86 54.38 3nnk s ASN 334 Cb -0.14 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.04 3nnk s ASN 334 CO 0.06 -0.75 1.67 1.23 -2.79 0.00 0.00 177.10 176.52 3nnk h GLY 335 N 9.70 0.06 1.72 1.21 0.00 -1.94 -2.22 103.07 111.60 3nnk h GLY 335 Ca -0.21 0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3nnk h GLY 335 CO 0.99 -0.14 -0.14 1.29 0.00 0.00 0.00 176.54 178.54 3nnk h ASP 336 N -0.10 0.33 -0.57 0.19 3.04 -1.97 -2.75 116.42 114.59 3nnk h ASP 336 Ca 0.13 -0.08 -0.06 0.00 -3.24 0.00 0.00 57.03 53.78 3nnk h ASP 336 Cb 0.29 -0.09 -0.02 0.00 -1.04 0.00 0.00 39.33 38.47 3nnk h ASP 336 CO -0.30 0.50 0.13 -0.61 -2.04 0.00 0.00 179.24 176.92 3nnk h GLN 337 N 0.32 0.91 -0.42 4.15 4.15 -1.82 0.17 115.11 122.57 3nnk h GLN 337 Ca 0.06 -0.22 -0.08 0.00 0.77 0.00 0.00 58.65 59.18 3nnk h GLN 337 Cb 0.44 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3nnk h GLN 337 CO 0.03 0.86 -0.04 0.00 -1.93 0.00 0.00 178.83 177.74 3nnk h ALA 338 N 1.02 0.57 -0.17 3.38 0.00 -1.39 -2.02 119.26 120.65 3nnk h ALA 338 Ca 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3nnk h ALA 338 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3nnk h ALA 338 CO 0.00 0.40 0.02 0.00 0.00 0.00 0.00 179.25 179.67 3nnk h ARG 339 N 0.60 0.08 -0.48 0.00 3.08 -1.18 0.13 114.38 116.62 3nnk h ARG 339 Ca 0.12 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3nnk h ARG 339 Cb 0.54 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 3nnk h ARG 339 CO 0.03 0.06 0.31 -0.22 -1.07 0.00 0.00 179.97 179.07 3nnk h LYS 340 N 0.09 0.61 -0.06 0.04 3.64 -0.65 -1.79 116.57 118.44 3nnk h LYS 340 Ca 0.08 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 3nnk h LYS 340 Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3nnk h LYS 340 CO -0.11 0.40 -0.56 -0.07 -2.27 0.00 0.00 179.45 176.84 3nnk h LEU 341 N 0.63 0.20 -0.49 5.20 3.38 -1.17 -1.30 115.31 121.76 3nnk h LEU 341 Ca 0.18 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3nnk h LEU 341 Cb -0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3nnk h LEU 341 CO -0.05 0.72 0.03 0.24 0.09 0.00 0.00 178.44 179.46 3nnk h MET 342 N 0.13 0.84 0.03 1.13 2.86 -0.52 -2.50 114.93 116.91 3nnk h MET 342 Ca -0.00 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3nnk h MET 342 Cb 1.03 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.61 3nnk h MET 342 CO 0.08 0.87 -0.02 1.25 1.06 0.00 0.00 176.91 180.16 3nnk h LEU 343 N 0.71 -0.04 -0.53 1.22 5.85 -1.06 -2.04 115.31 119.42 3nnk h LEU 343 Ca 0.14 -0.63 -0.16 0.00 0.84 0.00 0.00 57.88 58.08 3nnk h LEU 343 Cb 0.47 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3nnk h LEU 343 CO 0.02 0.74 -0.59 -0.33 -0.34 0.00 0.00 178.44 177.93 3nnk h GLU 344 N -0.94 0.47 0.00 1.25 5.08 -1.37 -1.45 114.58 117.62 3nnk h GLU 344 Ca -0.00 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 3nnk h GLU 344 Cb 0.66 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3nnk h GLU 344 CO 0.01 0.92 -2.06 -0.25 -1.00 0.00 0.00 179.01 176.63 3nnk n ASP 345 N -3.92 0.01 0.00 1.42 8.00 -0.94 -4.56 116.55 116.56 3nnk n ASP 345 Ca -0.03 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3nnk n ASP 345 Cb 0.62 1.78 0.00 0.00 -0.02 0.00 0.00 41.12 43.50 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3nnk n PHE 346 N -2.36 0.00 -2.13 1.24 3.72 -0.98 -5.02 117.46 111.93 3nnk n PHE 346 Ca -0.10 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.21 3nnk n PHE 346 Cb 0.68 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.22 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 1.71 0.04 3.21 1.37 0.00 -0.54 -4.91 105.19 106.07 3nnk n GLY 347 Ca 0.00 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3nnk n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 348 N -2.46 2.16 -0.24 -0.61 1.01 -0.80 0.54 121.20 120.79 3nnk s ILE 348 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 3nnk s ILE 348 Cb 0.00 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 3nnk s ILE 348 CO 0.00 0.55 0.21 -0.70 0.00 0.00 0.00 174.94 175.00 3nnk s GLU 349 N 0.56 4.08 0.13 2.79 2.12 0.44 -2.58 118.70 126.24 3nnk s GLU 349 Ca -0.13 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.08 3nnk s GLU 349 Cb -0.17 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 3nnk s GLU 349 CO 0.04 0.02 -0.05 0.96 -0.54 0.00 0.00 175.26 175.68 3nnk s ILE 350 N 1.18 3.56 0.18 -3.70 -4.36 -1.26 -0.67 121.20 116.13 3nnk s ILE 350 Ca 0.10 -1.32 -0.27 0.00 -0.26 0.00 0.00 60.65 58.89 3nnk s ILE 350 Cb -0.14 -2.72 -0.08 0.00 1.25 0.00 0.00 42.46 40.77 3nnk s ILE 350 CO 0.06 0.02 0.84 -0.83 0.24 0.00 0.00 174.94 175.26 3nnk s GLY 351 N -2.53 2.99 0.73 6.27 0.00 0.05 -4.84 107.32 109.98 3nnk s GLY 351 Ca 0.24 0.45 -0.11 0.00 0.00 0.00 0.00 44.72 45.30 3nnk s GLY 351 CO 0.16 1.01 1.10 -1.08 0.00 0.00 0.00 173.10 174.29 3nnk s THR 352 N -1.08 3.32 0.06 0.90 -1.32 -1.26 -0.79 115.64 115.46 3nnk s THR 352 Ca 0.38 0.43 0.01 0.00 -1.21 0.00 0.00 61.69 61.29 3nnk s THR 352 Cb -0.24 -3.39 -0.04 0.00 -1.51 0.00 0.00 72.50 67.32 3nnk s THR 352 CO 0.28 -0.56 0.16 -0.44 -2.21 0.00 0.00 174.62 171.85 3nnk s SER 353 N -4.32 6.05 0.13 8.08 0.01 -1.19 -4.57 113.70 117.90 3nnk s SER 353 Ca 0.59 0.18 0.04 0.00 1.31 0.00 0.00 55.95 58.07 3nnk s SER 353 Cb -0.11 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 3nnk s SER 353 CO 0.52 0.19 0.10 -0.36 0.41 0.00 0.00 173.24 174.10 3nnk s PHE 354 N -1.43 3.14 0.00 2.43 0.08 -1.26 -3.90 117.98 117.03 3nnk s PHE 354 Ca 0.32 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.37 3nnk s PHE 354 Cb -0.13 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 3nnk s PHE 354 CO 0.24 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.29 3nnk n GLY 355 N -0.02 1.84 0.43 4.36 0.00 -1.26 -3.90 105.19 106.64 3nnk n GLY 355 Ca -0.09 -0.55 0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 0.31 -0.25 1.61 0.13 -2.01 -0.99 132.00 130.80 3nnk h PRO 356 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3nnk h PRO 356 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3nnk h PRO 356 CO 0.00 0.20 0.00 1.28 -0.23 0.00 0.00 178.00 179.25 3nnk n LEU 357 N -4.59 3.20 -4.66 1.56 4.77 -1.25 -4.88 117.00 111.16 3nnk n LEU 357 Ca 0.26 -1.27 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 3nnk n LEU 357 Cb 0.97 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 3nnk n LEU 357 CO 0.27 0.64 1.54 -2.28 -1.33 0.00 0.00 177.39 176.22 3nnk s HIS 358 N -1.69 1.49 0.00 -1.77 2.46 -0.38 -0.56 115.29 114.84 3nnk s HIS 358 Ca 0.35 -0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.66 3nnk s HIS 358 Cb 0.22 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.53 3nnk s HIS 358 CO 0.31 -4.98 0.00 0.41 -2.47 0.00 0.00 174.74 168.01 3nnk n GLY 359 N 4.47 1.18 0.11 1.59 0.00 -1.26 -4.89 105.19 106.39 3nnk n GLY 359 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 0.51 -4.26 1.61 4.76 0.28 -4.77 118.16 114.28 3nnk n LYS 360 Ca 0.00 0.12 -0.21 0.00 -2.87 0.00 0.00 58.31 55.36 3nnk n LYS 360 Cb 0.00 -1.40 -0.16 0.00 -1.84 0.00 0.00 35.03 31.63 3nnk n LYS 360 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3nnk s VAL 361 N -2.41 0.65 0.29 -0.18 1.01 -0.82 -0.15 120.40 118.78 3nnk s VAL 361 Ca -0.28 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 3nnk s VAL 361 Cb 0.07 -0.64 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 3nnk s VAL 361 CO 0.47 0.24 0.65 0.26 0.00 0.00 0.00 175.10 176.72 3nnk s TRP 362 N 0.75 3.41 -0.29 5.22 0.51 0.12 -3.19 118.94 125.47 3nnk s TRP 362 Ca -0.11 1.03 0.03 0.00 -2.12 0.00 0.00 56.10 54.93 3nnk s TRP 362 Cb -0.14 -2.39 0.07 0.00 -0.81 0.00 0.00 33.47 30.21 3nnk s TRP 362 CO 0.01 0.16 -0.05 1.03 -0.51 0.00 0.00 176.95 177.59 3nnk s ARG 363 N -3.00 1.93 -0.31 4.98 0.52 0.03 -0.52 118.95 122.59 3nnk s ARG 363 Ca 0.51 -1.50 -0.08 0.00 -0.52 0.00 0.00 55.73 54.13 3nnk s ARG 363 Cb -0.11 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.40 3nnk s ARG 363 CO 0.21 -0.70 0.12 0.42 0.02 0.00 0.00 175.30 175.37 3nnk s ILE 364 N 1.06 4.31 0.08 1.52 1.01 -0.45 -0.77 121.20 127.96 3nnk s ILE 364 Ca -0.02 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 3nnk s ILE 364 Cb -0.20 -3.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 3nnk s ILE 364 CO -0.06 0.05 0.42 -0.83 0.00 0.00 0.00 174.94 174.52 3nnk s GLY 365 N 1.56 2.37 -0.53 6.18 0.00 0.38 -1.38 107.32 115.90 3nnk s GLY 365 Ca 0.03 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.46 3nnk s GLY 365 CO 0.05 -0.09 0.34 -0.51 0.00 0.00 0.00 173.10 172.89 3nnk s THR 366 N -1.38 1.75 0.15 0.90 -4.23 0.14 -4.55 115.64 108.42 3nnk s THR 366 Ca 0.33 -3.20 0.06 0.00 -1.18 0.00 0.00 61.69 57.71 3nnk s THR 366 Cb -0.14 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 3nnk s THR 366 CO 0.18 -1.00 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.09 3nnk s MET 367 N -0.35 1.11 1.58 3.99 -1.94 -1.26 -4.40 119.30 118.03 3nnk s MET 367 Ca 0.23 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 52.84 3nnk s MET 367 Cb -0.12 -0.92 0.00 0.00 2.01 0.00 0.00 34.83 35.80 3nnk s MET 367 CO -0.09 0.16 0.00 0.41 -0.01 0.00 0.00 175.02 175.49 3nnk n GLY 368 N 0.17 2.47 0.29 -0.03 0.00 -1.25 -0.54 105.19 106.31 3nnk n GLY 368 Ca -0.13 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 0.68 -0.29 1.61 3.20 -1.83 -2.85 116.97 117.49 3nnk h TYR 369 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3nnk h TYR 369 Cb 0.00 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3nnk h TYR 369 CO 0.00 0.58 0.00 0.09 -1.64 0.00 0.00 178.16 177.19 3nnk n ASN 370 N -4.31 1.64 -4.18 -2.11 4.13 0.29 -4.42 115.26 106.30 3nnk n ASN 370 Ca 0.03 -2.02 -0.43 0.00 1.68 0.00 0.00 54.58 53.84 3nnk n ASN 370 Cb 0.20 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk n ALA 371 N 0.35 4.54 -2.14 5.41 0.00 -0.87 -4.25 120.51 123.54 3nnk n ALA 371 Ca 0.10 -4.04 -0.08 0.00 0.00 0.00 0.00 53.44 49.42 3nnk n ALA 371 Cb 0.27 -3.34 -0.10 0.00 0.00 0.00 0.00 19.45 16.28 3nnk n ALA 371 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nnk s ARG 372 N 2.58 0.65 0.12 0.00 0.52 -1.26 -4.88 118.95 116.67 3nnk s ARG 372 Ca 0.47 -1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 54.27 3nnk s ARG 372 Cb 0.06 0.11 -0.06 0.00 0.52 0.00 0.00 34.95 35.59 3nnk s ARG 372 CO 0.00 -0.09 1.72 -0.22 0.02 0.00 0.00 175.30 176.74 3nnk h LYS 373 N 3.17 0.35 -0.62 3.54 3.64 -1.97 -2.66 116.57 122.02 3nnk h LYS 373 Ca -0.34 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 3nnk h LYS 373 Cb 1.15 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 3nnk h LYS 373 CO 0.65 0.31 0.22 0.38 -2.27 0.00 0.00 179.45 178.73 3nnk h ASP 374 N 0.30 0.86 -0.26 4.20 2.03 -1.97 0.23 116.42 121.81 3nnk h ASP 374 Ca 0.09 -0.13 -0.03 0.00 -0.73 0.00 0.00 57.03 56.23 3nnk h ASP 374 Cb 0.06 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.33 3nnk h ASP 374 CO -0.01 0.79 0.05 0.00 -1.03 0.00 0.00 179.24 179.04 3nnk h VAL 376 N 0.24 0.94 -0.09 0.00 2.07 -1.13 -1.87 116.25 116.40 3nnk h VAL 376 Ca 0.08 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3nnk h VAL 376 Cb 0.30 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3nnk h VAL 376 CO 0.00 0.11 -0.07 0.24 0.02 0.00 0.00 177.57 177.88 3nnk h MET 377 N 0.62 0.21 -0.97 1.57 2.07 -0.69 -1.86 114.93 115.88 3nnk h MET 377 Ca 0.29 -0.10 0.01 0.00 -2.07 0.00 0.00 59.70 57.83 3nnk h MET 377 Cb 0.21 -0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 29.89 3nnk h MET 377 CO -0.20 0.60 0.65 1.15 1.07 0.00 0.00 176.91 180.18 3nnk h THR 378 N -0.18 1.25 -0.06 2.22 2.02 -0.39 -2.60 112.91 115.18 3nnk h THR 378 Ca 0.02 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 3nnk h THR 378 Cb 0.55 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3nnk h THR 378 CO 0.02 0.24 -0.19 0.74 0.37 0.00 0.00 175.52 176.70 3nnk h THR 379 N 1.32 1.44 -0.31 3.16 2.02 -1.33 -2.23 112.91 116.98 3nnk h THR 379 Ca 0.36 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 65.98 3nnk h THR 379 Cb -0.15 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3nnk h THR 379 CO -0.08 0.44 0.16 -0.07 0.37 0.00 0.00 175.52 176.34 3nnk h LEU 380 N -0.29 0.24 -1.28 2.58 3.38 -1.30 0.32 115.31 118.95 3nnk h LEU 380 Ca -0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3nnk h LEU 380 Cb 0.81 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3nnk h LEU 380 CO 0.04 0.18 -0.22 0.77 0.09 0.00 0.00 178.44 179.30 3nnk h SER 381 N 0.33 0.00 0.03 -0.43 4.64 -1.53 -1.76 113.55 114.84 3nnk h SER 381 Ca 0.13 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 3nnk h SER 381 Cb 0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3nnk h SER 381 CO -0.08 0.22 -0.54 0.00 -0.87 0.00 0.00 176.83 175.55 3nnk h ALA 382 N 1.78 0.02 -0.13 5.18 0.00 -0.94 -2.65 119.26 122.53 3nnk h ALA 382 Ca -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.35 3nnk h ALA 382 Cb 0.67 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3nnk h ALA 382 CO 0.03 0.28 0.05 1.25 0.00 0.00 0.00 179.25 180.86 3nnk h LEU 383 N -0.30 0.07 -1.07 0.00 6.46 -0.81 0.61 115.31 120.27 3nnk h LEU 383 Ca -0.08 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3nnk h LEU 383 Cb 1.30 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.18 3nnk h LEU 383 CO 0.10 0.06 0.63 -0.08 -0.62 0.00 0.00 178.44 178.54 3nnk h GLU 384 N 0.12 1.24 -0.25 1.25 4.81 -1.45 0.13 114.58 120.44 3nnk h GLU 384 Ca 0.05 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3nnk h GLU 384 Cb 0.02 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3nnk h GLU 384 CO -0.05 0.82 0.09 0.00 -0.73 0.00 0.00 179.01 179.14 3nnk h ALA 385 N 1.41 0.32 -0.33 2.92 0.00 -1.06 -0.85 119.26 121.67 3nnk h ALA 385 Ca 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3nnk h ALA 385 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3nnk h ALA 385 CO -0.08 -0.07 0.14 0.28 0.00 0.00 0.00 179.25 179.52 3nnk h VAL 386 N 0.24 1.18 -0.25 0.00 2.07 -0.50 -1.73 116.25 117.26 3nnk h VAL 386 Ca 0.08 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3nnk h VAL 386 Cb 0.21 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3nnk h VAL 386 CO -0.00 0.19 0.16 -0.07 0.02 0.00 0.00 177.57 177.87 3nnk h LEU 387 N 0.40 0.30 -0.49 2.57 3.38 -0.67 0.41 115.31 121.20 3nnk h LEU 387 Ca 0.11 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3nnk h LEU 387 Cb 0.16 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3nnk h LEU 387 CO -0.01 0.23 0.26 0.78 0.09 0.00 0.00 178.44 179.80 3nnk h ASN 388 N 0.34 0.40 0.06 -0.43 2.35 -1.14 -1.13 115.58 116.03 3nnk h ASN 388 Ca 0.09 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3nnk h ASN 388 Cb -0.02 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3nnk h ASN 388 CO -0.02 0.28 -0.07 0.22 -1.65 0.00 0.00 177.43 176.19 3nnk h TYR 389 N 0.52 0.04 0.00 1.19 5.03 -0.99 -2.18 116.97 120.57 3nnk h TYR 389 Ca 0.21 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.52 3nnk h TYR 389 Cb 0.09 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.36 3nnk h TYR 389 CO -0.09 0.11 0.00 -0.07 -1.32 0.00 0.00 178.16 176.79 3nnk h LEU 390 N 0.04 0.00 0.00 2.82 -0.00 -0.11 -3.47 115.31 114.58 3nnk h LEU 390 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3nnk h LEU 390 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 3nnk h LEU 390 CO 0.01 0.00 0.00 0.29 -0.00 0.00 0.00 178.44 178.74 3nnk n LYS 391 N -2.44 0.00 -1.90 1.13 5.02 -0.82 -5.01 118.16 114.14 3nnk n LYS 391 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 3nnk n LYS 391 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.43 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 -1.91 1.72 0.16 2.13 5.36 -0.50 -4.94 117.98 120.00 3nnk s PHE 392 Ca 0.00 0.20 -0.27 0.00 -0.96 0.00 0.00 56.93 55.90 3nnk s PHE 392 Cb 0.00 -4.02 -0.08 0.00 -0.34 0.00 0.00 43.02 38.58 3nnk s PHE 392 CO 0.00 -4.00 0.84 -1.25 -1.46 0.00 0.00 175.22 169.34 3nnk s PRO 393 N 4.71 4.64 0.22 10.12 0.05 -1.26 -3.57 135.00 149.91 3nnk s PRO 393 Ca 0.80 1.26 0.01 0.00 0.05 0.00 0.00 61.00 63.13 3nnk s PRO 393 Cb -0.33 -3.30 -0.05 0.00 0.05 0.00 0.00 34.50 30.88 3nnk s PRO 393 CO 0.33 0.47 0.06 0.95 0.05 0.00 0.00 177.00 178.86 3nnk s THR 394 N -0.84 0.57 -0.17 1.26 -4.23 -1.26 -5.05 115.64 105.92 3nnk s THR 394 Ca 0.39 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.64 3nnk s THR 394 Cb -0.23 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 3nnk s THR 394 CO 0.28 -0.18 0.91 -0.89 -0.54 0.00 0.00 174.62 174.19 3nnk s THR 395 N -3.74 4.81 0.02 3.99 2.01 -1.26 -4.99 115.64 116.48 3nnk s THR 395 Ca 0.33 1.80 -0.32 0.00 0.31 0.00 0.00 61.69 63.81 3nnk s THR 395 Cb 0.07 -4.21 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 3nnk s THR 395 CO 0.10 -0.03 1.91 1.67 -0.69 0.00 0.00 174.62 177.57 3nnk n GLN 396 N 5.48 2.61 0.00 4.92 7.27 -1.26 -2.23 117.38 134.18 3nnk n GLN 396 Ca 0.07 0.96 0.00 0.00 0.07 0.00 0.00 57.00 58.10 3nnk n GLN 396 Cb 0.48 -2.86 0.00 0.00 2.41 0.00 0.00 30.24 30.27 3nnk n GLN 396 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 397 N 4.40 3.05 0.27 1.69 0.00 -1.26 -4.93 105.19 108.41 3nnk n GLY 397 Ca 0.20 0.00 -0.02 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 0.92 -0.09 4.61 0.00 -1.78 0.76 119.26 123.68 3nnk h ALA 398 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3nnk h ALA 398 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3nnk h ALA 398 CO 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.33 3nnk h ALA 399 N 1.34 0.13 -0.53 0.00 0.00 -1.78 -2.19 119.26 116.22 3nnk h ALA 399 Ca 0.30 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3nnk h ALA 399 Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3nnk h ALA 399 CO -0.16 -0.13 -0.12 0.52 0.00 0.00 0.00 179.25 179.36 3nnk h MET 400 N -0.15 1.02 -0.88 0.00 2.07 -1.83 -2.88 114.93 112.28 3nnk h MET 400 Ca 0.02 -0.39 0.12 0.00 -2.07 0.00 0.00 59.70 57.38 3nnk h MET 400 Cb 0.44 -0.06 -0.08 0.00 -1.87 0.00 0.00 31.60 30.03 3nnk h MET 400 CO 0.01 1.07 0.50 0.37 1.07 0.00 0.00 176.91 179.94 3nnk h GLN 401 N 0.89 0.77 0.01 1.72 5.75 -0.83 -0.61 115.11 122.81 3nnk h GLN 401 Ca 0.14 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3nnk h GLN 401 Cb 0.69 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.07 3nnk h GLN 401 CO 0.05 0.51 -0.00 0.00 -2.65 0.00 0.00 178.83 176.73 3nnk h ALA 402 N 1.51 -0.01 -0.70 3.38 0.00 -1.19 -1.46 119.26 120.80 3nnk h ALA 402 Ca 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3nnk h ALA 402 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3nnk h ALA 402 CO -0.29 -0.42 0.33 0.00 0.00 0.00 0.00 179.25 178.88 3nnk h ALA 403 N 0.81 0.90 -0.29 0.00 0.00 -1.31 -2.50 119.26 116.88 3nnk h ALA 403 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3nnk h ALA 403 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3nnk h ALA 403 CO 0.00 0.47 0.16 -1.49 0.00 0.00 0.00 179.25 178.39 3nnk h TRP 404 N 0.98 0.30 -0.39 0.00 6.55 -1.06 -2.45 115.95 119.87 3nnk h TRP 404 Ca 0.24 0.01 0.05 0.00 0.95 0.00 0.00 58.89 60.14 3nnk h TRP 404 Cb 0.12 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.31 3nnk h TRP 404 CO 0.01 0.17 0.26 -0.44 -1.05 0.00 0.00 178.44 177.39 3nnk h ASP 405 N 0.33 0.29 -0.08 -3.49 3.32 -1.08 -1.95 116.42 113.75 3nnk h ASP 405 Ca 0.11 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3nnk h ASP 405 Cb 0.01 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3nnk h ASP 405 CO -0.06 0.20 -0.02 -0.74 -1.72 0.00 0.00 179.24 176.90 3nnk h HIS 406 N 0.34 0.17 0.00 4.55 2.76 -1.00 -2.18 115.15 119.78 3nnk h HIS 406 Ca 0.17 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.21 3nnk h HIS 406 Cb 0.24 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 3nnk h HIS 406 CO -0.00 0.46 -0.44 1.88 -1.30 0.00 0.00 177.93 178.54 3nnk h TYR 407 N -0.17 0.00 0.01 5.26 0.05 -1.10 -2.30 116.97 118.72 3nnk h TYR 407 Ca 0.02 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.58 3nnk h TYR 407 Cb 0.41 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.15 3nnk h TYR 407 CO 0.05 0.44 -0.96 0.00 -1.05 0.00 0.00 178.16 176.64 3nnk h ARG 408 N 0.00 0.34 -0.10 4.88 -0.00 -1.38 -2.69 114.38 115.43 3nnk h ARG 408 Ca -0.00 -0.38 -0.18 0.00 -0.50 0.00 0.00 59.98 58.91 3nnk h ARG 408 Cb 0.79 0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.87 3nnk h ARG 408 CO 0.06 1.08 -0.69 0.77 0.00 0.00 0.00 179.97 181.18 3nnk h SER 409 N 0.18 0.53 0.74 7.04 0.02 -1.26 -3.22 113.55 117.58 3nnk h SER 409 Ca -0.08 -0.34 -0.17 0.00 -0.84 0.00 0.00 61.79 60.37 3nnk h SER 409 Cb 1.60 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 3nnk h SER 409 CO 0.16 1.07 -0.78 -0.33 -1.14 0.00 0.00 176.83 175.81 3nnk h GLU 410 N 0.32 0.03 0.00 3.45 5.08 -1.48 -3.51 114.58 118.46 3nnk h GLU 410 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3nnk h GLU 410 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3nnk h GLU 410 CO 0.12 0.79 0.00 2.89 -1.00 0.00 0.00 179.01 181.81