#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 1.07 -0.23 5.18 6.09 -2.08 -3.34 117.51 124.19 3nnk h ILE 3 Ca 0.00 -2.73 0.07 0.00 -1.37 0.00 0.00 64.86 60.82 3nnk h ILE 3 Cb 0.00 2.70 -0.01 0.00 0.47 0.00 0.00 36.82 39.98 3nnk h ILE 3 CO 0.00 0.80 0.27 0.71 -3.07 0.00 0.00 178.15 176.86 3nnk h THR 4 N 0.06 0.41 -0.29 2.19 1.35 -2.10 -0.11 112.91 114.42 3nnk h THR 4 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3nnk h THR 4 Cb 2.02 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3nnk h THR 4 CO 0.15 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.42 3nnk n GLN 5 N -3.72 2.10 -3.53 4.72 10.64 -1.25 -4.50 117.38 121.84 3nnk n GLN 5 Ca 0.03 -1.22 -0.41 0.00 -1.83 0.00 0.00 57.00 53.57 3nnk n GLN 5 Cb 0.40 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 28.24 3nnk n GLN 5 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3nnk s PHE 6 N -1.65 3.48 0.69 2.61 0.40 -0.05 -5.06 117.98 118.40 3nnk s PHE 6 Ca 0.22 -2.06 -0.03 0.00 -0.60 0.00 0.00 56.93 54.46 3nnk s PHE 6 Cb 0.14 -3.52 0.09 0.00 0.51 0.00 0.00 43.02 40.24 3nnk s PHE 6 CO 0.11 -0.96 0.97 -1.54 0.70 0.00 0.00 175.22 174.50 3nnk s SER 7 N 2.18 4.65 0.93 1.36 1.04 -1.26 -5.06 113.70 117.54 3nnk s SER 7 Ca 0.11 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.47 3nnk s SER 7 Cb -0.22 -0.63 0.09 0.00 0.10 0.00 0.00 66.02 65.37 3nnk s SER 7 CO -0.03 -1.65 0.81 0.00 0.98 0.00 0.00 173.24 173.35 3nnk n GLN 8 N -2.80 -0.36 -1.74 4.02 10.64 -1.26 -4.90 117.38 120.98 3nnk n GLN 8 Ca 0.11 -0.05 -0.42 0.00 -1.83 0.00 0.00 57.00 54.81 3nnk n GLN 8 Cb 0.60 -2.14 -0.02 0.00 -0.86 0.00 0.00 30.24 27.83 3nnk n GLN 8 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3nnk n LEU 9 N -2.86 4.26 -2.92 2.61 -0.00 -1.26 -4.98 117.00 111.85 3nnk n LEU 9 Ca 0.10 1.13 -0.14 0.00 -0.00 0.00 0.00 56.01 57.10 3nnk n LEU 9 Cb 0.53 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.36 3nnk n LEU 9 CO 0.50 0.13 0.01 -3.20 -0.00 0.00 0.00 177.39 174.83 3nnk n ASN 10 N 2.44 -1.85 -4.77 1.96 4.05 -1.26 -5.14 115.26 110.70 3nnk n ASN 10 Ca 0.10 -3.04 -0.40 0.00 0.45 0.00 0.00 54.58 51.69 3nnk n ASN 10 Cb 0.36 0.92 -0.02 0.00 1.23 0.00 0.00 39.78 42.27 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 0.07 4.30 0.56 1.20 0.04 -1.26 -5.01 135.00 134.90 3nnk s PRO 11 Ca 0.33 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.21 3nnk s PRO 11 Cb 0.18 -2.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 3nnk s PRO 11 CO -0.19 -0.17 1.09 -1.25 0.04 0.00 0.00 177.00 176.53 3nnk s PRO 12 N -1.89 3.37 0.12 0.56 0.04 -1.26 -4.96 135.00 130.98 3nnk s PRO 12 Ca 0.51 1.44 -0.32 0.00 0.04 0.00 0.00 61.00 62.67 3nnk s PRO 12 Cb -0.36 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.05 3nnk s PRO 12 CO 0.46 -0.80 1.82 0.45 0.04 0.00 0.00 177.00 178.98 3nnk n SER 13 N -1.53 3.98 -3.82 6.66 2.88 -1.26 -4.98 113.62 115.55 3nnk n SER 13 Ca 0.10 0.99 -0.18 0.00 -1.33 0.00 0.00 58.87 58.46 3nnk n SER 13 Cb 0.52 -1.54 -0.16 0.00 -0.75 0.00 0.00 64.21 62.28 3nnk n SER 13 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3nnk s ARG 14 N 2.63 0.39 -0.62 -1.46 1.81 -1.26 -4.84 118.95 115.59 3nnk s ARG 14 Ca 0.82 0.06 -0.17 0.00 -1.72 0.00 0.00 55.73 54.71 3nnk s ARG 14 Cb -0.50 -0.56 0.13 0.00 -0.45 0.00 0.00 34.95 33.57 3nnk s ARG 14 CO 0.38 -0.14 0.66 -1.17 -0.68 0.00 0.00 175.30 174.35 3nnk s LEU 15 N 1.08 5.84 -0.74 2.53 2.96 0.45 -4.90 118.68 125.89 3nnk s LEU 15 Ca -0.09 -1.76 -0.24 0.00 -0.22 0.00 0.00 54.13 51.82 3nnk s LEU 15 Cb -0.14 -2.26 0.06 0.00 0.50 0.00 0.00 46.19 44.35 3nnk s LEU 15 CO -0.02 -0.95 1.14 -0.76 -1.32 0.00 0.00 176.35 174.45 3nnk s LEU 16 N 1.97 3.87 -0.35 -0.68 1.43 -1.26 -0.52 118.68 123.14 3nnk s LEU 16 Ca 0.10 -0.89 0.06 0.00 -1.03 0.00 0.00 54.13 52.37 3nnk s LEU 16 Cb -0.23 -2.49 0.47 0.00 0.03 0.00 0.00 46.19 43.97 3nnk s LEU 16 CO 0.02 -1.58 1.43 0.23 0.23 0.00 0.00 176.35 176.69 3nnk n MET 17 N 8.39 2.68 0.00 1.70 2.81 0.77 -4.41 117.12 129.07 3nnk n MET 17 Ca 0.04 -3.62 0.00 0.00 -1.81 0.00 0.00 57.70 52.31 3nnk n MET 17 Cb 0.48 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 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 -0.92 2.95 0.00 3.03 0.00 -0.70 -0.35 105.19 109.20 3nnk n GLY 18 Ca 0.42 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.00 1.61 -0.04 -1.26 -3.46 135.00 131.85 3nnk n PRO 19 Ca 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 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 1.41 4.58 3.75 0.55 0.00 -1.26 -4.96 105.19 109.26 3nnk n GLY 20 Ca 0.07 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.04 0.95 0.31 1.61 0.04 -1.26 -5.14 135.00 127.47 3nnk s PRO 21 Ca 0.00 0.40 0.10 0.00 0.04 0.00 0.00 61.00 61.55 3nnk s PRO 21 Cb 0.00 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 3nnk s PRO 21 CO 0.00 -2.35 -0.14 0.96 0.04 0.00 0.00 177.00 175.51 3nnk s ILE 22 N -3.15 2.31 0.06 0.56 -5.25 -0.50 -4.77 121.20 110.46 3nnk s ILE 22 Ca 0.64 -2.29 -0.36 0.00 -0.99 0.00 0.00 60.65 57.65 3nnk s ILE 22 Cb -0.16 -2.48 -0.15 0.00 2.95 0.00 0.00 42.46 42.62 3nnk s ILE 22 CO 0.55 -0.30 1.52 0.59 -1.79 0.00 0.00 174.94 175.51 3nnk n ASN 23 N -0.70 2.40 -4.78 4.36 4.13 -1.26 -4.85 115.26 114.57 3nnk n ASN 23 Ca -0.05 1.09 -0.37 0.00 1.68 0.00 0.00 54.58 56.92 3nnk n ASN 23 Cb 0.62 -1.28 -0.04 0.00 -1.54 0.00 0.00 39.78 37.53 3nnk n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk s ALA 24 N 1.31 3.16 0.10 5.41 0.00 -1.26 -4.48 121.76 126.00 3nnk s ALA 24 Ca 0.85 0.73 -0.31 0.00 0.00 0.00 0.00 51.96 53.23 3nnk s ALA 24 Cb -0.85 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 18.90 3nnk s ALA 24 CO 0.46 -0.18 1.74 0.34 0.00 0.00 0.00 175.76 178.13 3nnk s ASP 25 N -1.43 6.51 0.48 0.00 -1.08 -0.89 -4.89 116.67 115.36 3nnk s ASP 25 Ca 0.55 2.63 0.23 0.00 -0.52 0.00 0.00 52.55 55.43 3nnk s ASP 25 Cb -0.24 -2.57 1.26 0.00 -1.46 0.00 0.00 42.92 39.92 3nnk s ASP 25 CO 0.30 -0.95 1.92 -0.65 0.52 0.00 0.00 175.17 176.31 3nnk h PRO 26 N 8.44 0.19 -0.20 4.34 0.11 -1.94 0.17 132.00 143.11 3nnk h PRO 26 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3nnk h PRO 26 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3nnk h PRO 26 CO 0.94 0.12 -0.00 0.00 -0.21 0.00 0.00 178.00 178.85 3nnk h ARG 27 N 0.19 0.29 -0.16 1.05 -0.00 -1.96 0.20 114.38 114.00 3nnk h ARG 27 Ca 0.37 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.98 59.60 3nnk h ARG 27 Cb 1.17 -0.05 0.01 0.00 0.00 0.00 0.00 29.97 31.09 3nnk h ARG 27 CO -0.07 0.32 -0.70 0.28 0.00 0.00 0.00 179.97 179.80 3nnk h VAL 28 N 0.29 1.29 -0.58 2.04 2.07 -1.00 -2.33 116.25 118.02 3nnk h VAL 28 Ca 0.07 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 3nnk h VAL 28 Cb 0.21 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3nnk h VAL 28 CO 0.00 0.60 0.20 -0.07 0.02 0.00 0.00 177.57 178.33 3nnk h LEU 29 N 0.47 0.83 -0.58 2.57 3.38 -1.02 -2.78 115.31 118.18 3nnk h LEU 29 Ca -0.04 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3nnk h LEU 29 Cb 1.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3nnk h LEU 29 CO 0.15 0.80 0.01 0.03 0.09 0.00 0.00 178.44 179.52 3nnk h ARG 30 N 0.82 1.02 0.00 1.13 3.08 -0.99 -2.92 114.38 116.51 3nnk h ARG 30 Ca 0.19 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3nnk h ARG 30 Cb 0.25 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3nnk h ARG 30 CO -0.01 1.00 -0.12 0.00 -1.07 0.00 0.00 179.97 179.78 3nnk h ALA 31 N 0.98 1.65 0.00 0.04 0.00 -1.32 -2.50 119.26 118.11 3nnk h ALA 31 Ca 0.17 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3nnk h ALA 31 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3nnk h ALA 31 CO 0.03 0.14 -0.47 0.52 0.00 0.00 0.00 179.25 179.48 3nnk h MET 32 N 0.00 0.00 0.00 0.00 2.86 -1.29 -3.05 114.93 113.45 3nnk h MET 32 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3nnk h MET 32 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3nnk h MET 32 CO 0.02 0.47 0.00 -1.13 1.06 0.00 0.00 176.91 177.32 3nnk n SER 33 N -3.81 0.00 -4.77 1.22 3.41 -0.94 -4.87 113.62 103.86 3nnk n SER 33 Ca -0.01 -0.15 -0.36 0.00 -0.26 0.00 0.00 58.87 58.08 3nnk n SER 33 Cb 0.51 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.49 5.72 0.70 4.04 0.15 -1.15 -5.01 113.70 115.66 3nnk s SER 34 Ca 0.25 2.33 -0.15 0.00 0.70 0.00 0.00 55.95 59.07 3nnk s SER 34 Cb 0.16 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 3nnk s SER 34 CO 0.35 -1.23 1.18 0.00 1.20 0.00 0.00 173.24 174.74 3nnk s GLN 35 N -3.05 2.41 0.27 5.44 0.00 -1.26 -4.99 119.66 118.48 3nnk s GLN 35 Ca 0.70 1.65 -0.00 0.00 -0.00 0.00 0.00 55.36 57.72 3nnk s GLN 35 Cb -0.29 -1.88 -0.04 0.00 0.00 0.00 0.00 33.01 30.81 3nnk s GLN 35 CO 0.33 -1.61 0.47 -0.51 0.00 0.00 0.00 175.29 173.97 3nnk s LEU 36 N -4.97 4.14 0.50 2.60 1.43 -1.26 -5.08 118.68 116.04 3nnk s LEU 36 Ca 0.72 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.27 3nnk s LEU 36 Cb -0.27 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 3nnk s LEU 36 CO 0.43 -0.16 0.02 0.27 0.23 0.00 0.00 176.35 177.15 3nnk s ILE 37 N -2.07 1.29 0.80 -0.59 -0.00 -1.26 -5.15 121.20 114.23 3nnk s ILE 37 Ca 0.39 -1.98 -0.11 0.00 -0.00 0.00 0.00 60.65 58.96 3nnk s ILE 37 Cb -0.10 -2.27 0.07 0.00 -0.00 0.00 0.00 42.46 40.16 3nnk s ILE 37 CO 0.32 0.00 1.09 -0.83 -0.00 0.00 0.00 174.94 175.51 3nnk s GLY 38 N -3.88 1.64 0.14 6.27 0.00 -1.26 -4.98 107.32 105.25 3nnk s GLY 38 Ca 0.11 -0.03 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 3nnk s GLY 38 CO 0.06 0.38 1.77 -1.61 0.00 0.00 0.00 173.10 173.70 3nnk h GLN 39 N -1.16 0.30 -0.41 2.90 4.15 -2.01 -3.04 115.11 115.84 3nnk h GLN 39 Ca -0.46 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 58.87 3nnk h GLN 39 Cb 1.26 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 3nnk h GLN 39 CO 0.56 0.20 0.04 0.66 -1.93 0.00 0.00 178.83 178.36 3nnk n TYR 40 N -4.96 1.41 -1.93 3.99 4.01 -1.26 -4.59 117.16 113.84 3nnk n TYR 40 Ca -0.01 -1.02 -0.41 0.00 -0.16 0.00 0.00 57.90 56.29 3nnk n TYR 40 Cb 0.06 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.63 3nnk n TYR 40 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3nnk s ASP 41 N -1.70 6.55 0.54 7.72 -1.08 -1.15 -4.88 116.67 122.68 3nnk s ASP 41 Ca 0.47 2.77 0.28 0.00 -0.52 0.00 0.00 52.55 55.55 3nnk s ASP 41 Cb 0.38 -2.63 1.54 0.00 -1.46 0.00 0.00 42.92 40.76 3nnk s ASP 41 CO 0.09 -0.78 1.85 -0.65 0.52 0.00 0.00 175.17 176.20 3nnk h PRO 42 N 5.05 0.00 0.14 4.34 0.11 -1.93 0.14 132.00 139.85 3nnk h PRO 42 Ca -0.46 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.35 3nnk h PRO 42 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3nnk h PRO 42 CO 0.79 0.00 -1.41 0.00 -0.21 0.00 0.00 178.00 177.17 3nnk h ALA 43 N 1.55 0.15 -0.36 -0.75 0.00 -1.94 -3.02 119.26 114.90 3nnk h ALA 43 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 54.91 53.85 3nnk h ALA 43 Cb 0.41 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3nnk h ALA 43 CO 0.00 1.02 -0.05 1.98 0.00 0.00 0.00 179.25 182.20 3nnk h MET 44 N 0.08 0.67 -0.06 0.00 -1.53 -1.01 -2.03 114.93 111.05 3nnk h MET 44 Ca -0.20 -0.24 -0.12 0.00 -3.44 0.00 0.00 59.70 55.70 3nnk h MET 44 Cb 2.01 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 33.01 3nnk h MET 44 CO 0.19 0.81 -0.50 1.79 0.14 0.00 0.00 176.91 179.34 3nnk h THR 45 N 0.47 1.35 -0.41 -0.77 1.35 -1.54 -1.30 112.91 112.06 3nnk h THR 45 Ca 0.09 -1.74 -0.11 0.00 -0.55 0.00 0.00 66.41 64.11 3nnk h THR 45 Cb 0.54 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 3nnk h THR 45 CO 0.03 0.51 -0.16 -0.74 -0.25 0.00 0.00 175.52 174.91 3nnk h HIS 46 N 0.13 0.94 -0.53 4.73 6.17 -1.49 -2.16 115.15 122.96 3nnk h HIS 46 Ca 0.00 -0.22 -0.07 0.00 0.71 0.00 0.00 60.37 60.79 3nnk h HIS 46 Cb 0.94 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.62 3nnk h HIS 46 CO 0.01 0.97 0.05 1.88 0.71 0.00 0.00 177.93 181.56 3nnk h TYR 47 N 0.64 0.96 -0.62 5.26 0.99 -1.19 -0.93 116.97 122.08 3nnk h TYR 47 Ca 0.10 -0.15 0.07 0.00 2.00 0.00 0.00 58.73 60.75 3nnk h TYR 47 Cb 0.70 -0.26 -0.06 0.00 1.00 0.00 0.00 36.73 38.12 3nnk h TYR 47 CO 0.05 0.87 0.30 0.52 -0.00 0.00 0.00 178.16 179.90 3nnk h MET 48 N 0.77 0.53 -0.71 4.88 2.86 -1.22 0.78 114.93 122.82 3nnk h MET 48 Ca 0.16 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3nnk h MET 48 Cb 0.45 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3nnk h MET 48 CO 0.02 0.35 0.31 -0.91 1.06 0.00 0.00 176.91 177.74 3nnk h ASN 49 N 0.55 0.93 -0.41 1.22 -0.26 -1.16 -2.38 115.58 114.07 3nnk h ASN 49 Ca 0.29 -0.11 -0.08 0.00 -0.56 0.00 0.00 56.30 55.84 3nnk h ASN 49 Cb 0.26 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 3nnk h ASN 49 CO -0.23 0.80 -0.06 -0.33 -1.06 0.00 0.00 177.43 176.56 3nnk h GLU 50 N 1.01 0.76 -0.93 0.81 5.08 -0.37 -2.27 114.58 118.67 3nnk h GLU 50 Ca 0.24 -0.27 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3nnk h GLU 50 Cb 0.14 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.26 3nnk h GLU 50 CO -0.03 0.87 0.57 0.28 -1.00 0.00 0.00 179.01 179.70 3nnk h VAL 51 N 0.59 0.95 0.36 3.13 2.07 -0.70 0.12 116.25 122.77 3nnk h VAL 51 Ca 0.11 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3nnk h VAL 51 Cb 0.56 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3nnk h VAL 51 CO 0.03 0.17 -0.18 0.24 0.02 0.00 0.00 177.57 177.86 3nnk h MET 52 N 0.94 -0.47 -0.07 1.57 2.86 -1.18 -2.01 114.93 116.57 3nnk h MET 52 Ca 0.44 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 58.14 3nnk h MET 52 Cb 0.37 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3nnk h MET 52 CO -0.24 -0.27 -0.06 0.00 1.06 0.00 0.00 176.91 177.40 3nnk h ALA 53 N 0.05 -0.00 -0.49 6.32 0.00 -1.05 -2.53 119.26 121.56 3nnk h ALA 53 Ca -0.05 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 53 Cb 0.42 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3nnk h ALA 53 CO 0.08 -0.53 0.12 -0.07 0.00 0.00 0.00 179.25 178.85 3nnk h LEU 54 N -0.08 0.06 -0.73 0.00 3.38 -0.75 -2.61 115.31 114.58 3nnk h LEU 54 Ca 0.05 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3nnk h LEU 54 Cb 0.16 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3nnk h LEU 54 CO -0.12 0.06 -0.39 1.88 0.09 0.00 0.00 178.44 179.96 3nnk h TYR 55 N 0.27 0.00 -0.75 1.13 0.05 -1.25 -2.07 116.97 114.35 3nnk h TYR 55 Ca 0.24 0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.10 3nnk h TYR 55 Cb 0.31 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 3nnk h TYR 55 CO -0.20 0.39 0.43 0.00 -1.05 0.00 0.00 178.16 177.72 3nnk h ARG 56 N 0.00 0.74 -0.65 4.88 3.08 -1.07 0.21 114.38 121.57 3nnk h ARG 56 Ca -0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3nnk h ARG 56 Cb 1.00 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 3nnk h ARG 56 CO 0.05 0.49 0.14 0.78 -1.07 0.00 0.00 179.97 180.36 3nnk h GLY 57 N 0.76 1.11 0.70 0.04 0.00 -1.19 -0.35 103.07 104.14 3nnk h GLY 57 Ca 0.34 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3nnk h GLY 57 CO -0.21 0.64 -0.14 -2.08 0.00 0.00 0.00 176.54 174.76 3nnk h VAL 58 N 0.98 1.36 0.00 4.60 2.07 -0.84 -3.16 116.25 121.26 3nnk h VAL 58 Ca 0.20 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3nnk h VAL 58 Cb 0.37 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3nnk h VAL 58 CO 0.00 0.38 0.00 -0.26 0.02 0.00 0.00 177.57 177.72 3nnk h PHE 59 N -0.11 0.00 -4.82 1.57 0.04 -0.61 -3.47 116.94 109.55 3nnk h PHE 59 Ca 0.02 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.66 3nnk h PHE 59 Cb 0.67 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.93 3nnk h PHE 59 CO 0.09 0.00 -0.44 0.54 -0.60 0.00 0.00 178.31 177.90 3nnk n ARG 60 N -2.94 -1.47 -3.83 1.51 5.12 -0.28 -3.12 116.66 111.66 3nnk n ARG 60 Ca 0.02 0.84 -0.10 0.00 -1.93 0.00 0.00 57.85 56.68 3nnk n ARG 60 Cb 0.37 -4.73 -0.07 0.00 -1.16 0.00 0.00 32.46 26.86 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 -3.20 0.12 -1.89 0.55 -1.32 -0.40 -3.11 115.64 106.39 3nnk s THR 61 Ca 0.24 -1.00 0.17 0.00 -1.21 0.00 0.00 61.69 59.88 3nnk s THR 61 Cb -0.03 -1.17 0.23 0.00 -1.51 0.00 0.00 72.50 70.02 3nnk s THR 61 CO 0.56 -0.55 1.14 -0.62 -2.21 0.00 0.00 174.62 172.93 3nnk n GLU 62 N 0.20 1.77 -1.63 7.08 1.02 -1.26 -4.53 120.64 123.30 3nnk n GLU 62 Ca -0.17 -1.75 -0.54 0.00 -0.02 0.00 0.00 57.16 54.69 3nnk n GLU 62 Cb 0.61 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 3nnk n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nnk n ASN 63 N 0.97 1.90 -0.35 1.62 3.02 -1.26 -4.87 115.26 116.28 3nnk n ASN 63 Ca 0.12 1.10 0.01 0.00 -0.03 0.00 0.00 54.58 55.78 3nnk n ASN 63 Cb 0.45 -1.18 0.14 0.00 -0.61 0.00 0.00 39.78 38.58 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 5.40 1.14 -3.71 3.52 2.43 -1.96 -3.34 114.38 117.87 3nnk h ARG 64 Ca -0.47 -0.07 -0.77 0.00 -0.81 0.00 0.00 59.98 57.86 3nnk h ARG 64 Cb 1.33 -0.26 -0.21 0.00 -0.42 0.00 0.00 29.97 30.41 3nnk h ARG 64 CO 0.83 0.76 1.29 0.91 -1.51 0.00 0.00 179.97 182.25 3nnk n TRP 65 N -4.50 3.75 -4.08 2.20 5.03 -1.26 -4.92 117.44 113.66 3nnk n TRP 65 Ca 0.13 -3.09 -0.34 0.00 3.03 0.00 0.00 57.50 57.23 3nnk n TRP 65 Cb 0.12 -1.81 -0.15 0.00 -1.03 0.00 0.00 31.31 28.44 3nnk n TRP 65 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 3nnk s THR 66 N -0.32 2.72 0.06 -0.99 2.01 -1.25 -1.43 115.64 116.43 3nnk s THR 66 Ca 0.37 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 3nnk s THR 66 Cb 0.02 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.34 3nnk s THR 66 CO 0.01 0.48 0.11 1.15 -0.69 0.00 0.00 174.62 175.69 3nnk n MET 67 N 4.63 0.16 -5.04 4.92 0.00 -0.22 -4.35 117.12 117.21 3nnk n MET 67 Ca -0.19 -0.36 -0.28 0.00 0.00 0.00 0.00 57.70 56.87 3nnk n MET 67 Cb 0.51 0.42 -0.16 0.00 0.00 0.00 0.00 33.22 33.99 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 2.03 -0.22 3.17 1.43 -1.26 -0.41 118.68 123.42 3nnk s LEU 68 Ca 0.03 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 3nnk s LEU 68 Cb -0.01 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 3nnk s LEU 68 CO 0.02 0.25 0.13 -0.69 0.23 0.00 0.00 176.35 176.30 3nnk s VAL 69 N -0.45 5.28 -0.73 -1.59 1.01 0.35 -4.96 120.40 119.32 3nnk s VAL 69 Ca 0.07 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 3nnk s VAL 69 Cb -0.09 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3nnk s VAL 69 CO -0.00 0.40 1.37 -1.81 0.00 0.00 0.00 175.10 175.05 3nnk s ASP 70 N 0.71 6.04 0.00 3.32 -0.00 -1.26 -1.23 116.67 124.25 3nnk s ASP 70 Ca 0.07 -0.36 0.00 0.00 -0.00 0.00 0.00 52.55 52.26 3nnk s ASP 70 Cb -0.12 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.24 3nnk s ASP 70 CO 0.01 -1.91 0.00 0.61 -0.00 0.00 0.00 175.17 173.88 3nnk n GLY 71 N 5.46 2.31 3.48 0.21 0.00 -0.72 -4.99 105.19 110.95 3nnk n GLY 71 Ca 0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 1.47 0.20 2.61 -4.23 -1.26 -1.50 115.64 110.94 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 -2.31 0.17 0.00 1.34 0.00 0.00 72.50 71.69 3nnk s THR 72 CO 0.00 0.00 1.68 0.28 -0.54 0.00 0.00 174.62 176.04 3nnk h SER 73 N -2.90 -0.20 0.95 3.99 0.02 -1.80 -1.42 113.55 112.20 3nnk h SER 73 Ca -0.45 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3nnk h SER 73 Cb 1.31 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.08 3nnk h SER 73 CO 0.33 -0.08 0.00 0.08 -1.14 0.00 0.00 176.83 176.02 3nnk h ARG 74 N 0.14 0.00 -0.22 3.45 0.11 -1.91 -1.03 114.38 114.93 3nnk h ARG 74 Ca 0.29 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.31 3nnk h ARG 74 Cb 0.46 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 3nnk h ARG 74 CO -0.46 0.00 -0.15 0.00 0.10 0.00 0.00 179.97 179.46 3nnk h ALA 75 N 2.13 1.34 -0.12 0.08 0.00 -1.57 0.24 119.26 121.35 3nnk h ALA 75 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 3nnk h ALA 75 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3nnk h ALA 75 CO 0.00 0.45 -0.64 0.78 0.00 0.00 0.00 179.25 179.84 3nnk h GLY 76 N 0.88 0.48 0.85 0.00 0.00 -1.19 -0.79 103.07 103.31 3nnk h GLY 76 Ca 0.06 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 3nnk h GLY 76 CO 0.03 0.55 -0.19 -2.22 0.00 0.00 0.00 176.54 174.71 3nnk h ILE 77 N 0.32 0.60 -0.81 2.60 2.04 -1.23 -2.65 117.51 118.38 3nnk h ILE 77 Ca -0.01 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3nnk h ILE 77 Cb 1.19 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 3nnk h ILE 77 CO 0.11 0.05 0.52 -0.08 0.00 0.00 0.00 178.15 178.76 3nnk h GLU 78 N -0.69 1.01 -0.48 2.37 4.81 -0.95 0.96 114.58 121.61 3nnk h GLU 78 Ca -0.05 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3nnk h GLU 78 Cb 0.49 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3nnk h GLU 78 CO 0.09 0.67 0.21 0.00 -0.73 0.00 0.00 179.01 179.25 3nnk h ALA 79 N 1.32 0.60 0.01 2.92 0.00 -1.17 0.45 119.26 123.39 3nnk h ALA 79 Ca 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3nnk h ALA 79 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3nnk h ALA 79 CO -0.10 -0.16 -0.00 0.82 0.00 0.00 0.00 179.25 179.81 3nnk h ILE 80 N 0.42 1.21 -0.60 0.00 2.04 -1.03 -2.54 117.51 117.01 3nnk h ILE 80 Ca 0.22 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 3nnk h ILE 80 Cb 0.17 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3nnk h ILE 80 CO -0.19 0.17 0.02 -0.07 0.00 0.00 0.00 178.15 178.08 3nnk h LEU 81 N -0.29 1.02 -1.31 1.44 3.38 -0.56 0.81 115.31 119.80 3nnk h LEU 81 Ca -0.00 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3nnk h LEU 81 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3nnk h LEU 81 CO 0.00 1.07 -0.33 0.58 0.09 0.00 0.00 178.44 179.85 3nnk h VAL 82 N 0.94 1.24 0.00 1.22 2.07 -0.18 0.04 116.25 121.59 3nnk h VAL 82 Ca 0.17 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3nnk h VAL 82 Cb 0.54 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3nnk h VAL 82 CO 0.03 0.33 -0.69 0.28 0.02 0.00 0.00 177.57 177.54 3nnk h SER 83 N 0.02 0.00 0.22 0.57 0.02 -1.12 -3.37 113.55 109.88 3nnk h SER 83 Ca -0.00 -0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 60.59 3nnk h SER 83 Cb 0.60 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 3nnk h SER 83 CO 0.04 0.01 -2.09 0.00 -1.14 0.00 0.00 176.83 173.66 3nnk n ALA 84 N -2.11 1.49 -2.84 3.77 0.00 0.25 -4.68 120.51 116.40 3nnk n ALA 84 Ca 0.01 -1.08 -0.38 0.00 0.00 0.00 0.00 53.44 51.99 3nnk n ALA 84 Cb 0.53 -0.48 -0.12 0.00 0.00 0.00 0.00 19.45 19.39 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 4.72 0.40 0.00 1.01 -0.03 -5.05 121.20 119.71 3nnk s ILE 85 Ca -0.08 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 3nnk s ILE 85 Cb 0.07 -3.33 -0.11 0.00 0.01 0.00 0.00 42.46 39.11 3nnk s ILE 85 CO 0.83 0.17 0.93 -0.13 0.00 0.00 0.00 174.94 176.73 3nnk s ARG 86 N 1.65 4.28 0.18 2.79 3.00 -1.26 -4.82 118.95 124.77 3nnk s ARG 86 Ca 0.06 1.12 -0.33 0.00 0.00 0.00 0.00 55.73 56.58 3nnk s ARG 86 Cb -0.16 -2.32 -0.15 0.00 0.00 0.00 0.00 34.95 32.31 3nnk s ARG 86 CO 0.07 0.05 1.24 -2.30 0.00 0.00 0.00 175.30 174.35 3nnk n PRO 87 N -0.37 1.38 0.00 3.54 -0.02 -1.26 -1.44 135.00 136.82 3nnk n PRO 87 Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3nnk n PRO 87 Cb 0.53 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.11 2.13 3.77 -1.23 0.00 0.36 -4.98 105.19 107.35 3nnk n GLY 88 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3nnk n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nnk s ASP 89 N -2.88 6.46 0.26 1.61 1.01 -0.52 -4.40 116.67 118.20 3nnk s ASP 89 Ca 0.00 2.84 -0.26 0.00 0.71 0.00 0.00 52.55 55.85 3nnk s ASP 89 Cb 0.00 -2.66 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 3nnk s ASP 89 CO 0.00 -0.77 0.87 -0.54 0.21 0.00 0.00 175.17 174.95 3nnk s LYS 90 N -2.03 4.59 -0.05 8.23 1.02 -1.26 -1.82 119.74 128.42 3nnk s LYS 90 Ca 0.53 1.26 -0.02 0.00 0.02 0.00 0.00 55.97 57.75 3nnk s LYS 90 Cb -0.42 -3.01 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3nnk s LYS 90 CO 0.57 0.41 0.11 0.08 -0.92 0.00 0.00 175.35 175.59 3nnk s VAL 91 N -1.41 -0.04 -0.16 3.17 1.01 -0.81 -1.03 120.40 121.12 3nnk s VAL 91 Ca 0.44 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 3nnk s VAL 91 Cb -0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3nnk s VAL 91 CO 0.26 0.06 -0.07 -0.22 0.00 0.00 0.00 175.10 175.12 3nnk s LEU 92 N 0.85 2.97 -0.26 3.92 2.96 -0.37 0.25 118.68 129.01 3nnk s LEU 92 Ca -0.07 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3nnk s LEU 92 Cb -0.09 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.96 3nnk s LEU 92 CO -0.04 0.12 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.36 3nnk s VAL 93 N 0.63 1.94 -0.48 1.68 1.01 0.36 -0.44 120.40 125.11 3nnk s VAL 93 Ca -0.04 -1.59 -0.28 0.00 0.00 0.00 0.00 61.98 60.07 3nnk s VAL 93 Cb -0.15 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3nnk s VAL 93 CO 0.03 -0.14 1.41 -2.84 0.00 0.00 0.00 175.10 173.56 3nnk s PRO 94 N 1.18 3.44 -0.33 2.72 0.02 -1.25 -2.41 135.00 138.38 3nnk s PRO 94 Ca -0.05 0.71 -0.18 0.00 0.02 0.00 0.00 61.00 61.50 3nnk s PRO 94 Cb -0.19 -4.07 -0.01 0.00 0.02 0.00 0.00 34.50 30.25 3nnk s PRO 94 CO -0.06 -1.74 0.52 0.08 -0.33 0.00 0.00 177.00 175.46 3nnk s VAL 95 N 5.74 5.02 0.00 3.83 1.01 -0.05 -4.71 120.40 131.24 3nnk s VAL 95 Ca 0.57 0.47 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3nnk s VAL 95 Cb -0.12 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3nnk s VAL 95 CO 0.29 -0.15 0.57 2.22 0.00 0.00 0.00 175.10 178.03 3nnk n PHE 96 N 5.71 0.00 -3.59 5.22 1.16 -1.26 -3.01 117.46 121.69 3nnk n PHE 96 Ca -0.05 -0.08 -0.01 0.00 -1.87 0.00 0.00 57.45 55.44 3nnk n PHE 96 Cb 0.49 -0.01 0.01 0.00 -1.61 0.00 0.00 39.48 38.36 3nnk n PHE 96 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3nnk n GLY 97 N -0.08 1.06 0.35 4.97 0.00 -1.26 -4.48 105.19 105.75 3nnk n GLY 97 Ca 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 0.87 0.00 1.61 1.12 -1.95 -1.90 114.38 114.13 3nnk h ARG 98 Ca -0.08 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 3nnk h ARG 98 Cb 0.37 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 3nnk h ARG 98 CO 0.11 0.57 0.00 0.74 -3.11 0.00 0.00 179.97 178.29 3nnk h PHE 99 N 0.89 0.00 -0.27 2.20 0.04 -1.96 -1.61 116.94 116.23 3nnk h PHE 99 Ca 0.50 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.13 3nnk h PHE 99 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 3nnk h PHE 99 CO -0.02 0.00 -0.39 0.78 -0.60 0.00 0.00 178.31 178.08 3nnk h GLY 100 N 3.17 0.69 1.79 -1.45 0.00 -1.69 -2.79 103.07 102.79 3nnk h GLY 100 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 3nnk h GLY 100 CO 0.00 0.62 -0.35 0.45 0.00 0.00 0.00 176.54 177.26 3nnk h HIS 101 N 0.52 0.28 -0.48 5.60 3.86 -1.28 -2.60 115.15 121.05 3nnk h HIS 101 Ca 0.05 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.07 3nnk h HIS 101 Cb 0.90 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 3nnk h HIS 101 CO 0.04 0.57 -0.17 1.25 0.86 0.00 0.00 177.93 180.48 3nnk h LEU 102 N 0.21 0.98 -1.31 2.43 5.85 -1.39 -2.46 115.31 119.61 3nnk h LEU 102 Ca 0.03 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 3nnk h LEU 102 Cb 0.72 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3nnk h LEU 102 CO 0.05 1.13 -0.14 -0.07 -0.34 0.00 0.00 178.44 179.08 3nnk h LEU 103 N 0.81 0.29 -0.59 2.25 3.38 -1.39 -1.76 115.31 118.29 3nnk h LEU 103 Ca 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3nnk h LEU 103 Cb 0.73 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3nnk h LEU 103 CO 0.06 0.45 0.16 0.00 0.09 0.00 0.00 178.44 179.20 3nnk h GLU 105 N 0.84 0.37 -0.63 0.00 4.39 -1.07 -1.84 114.58 116.65 3nnk h GLU 105 Ca 0.19 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3nnk h GLU 105 Cb 0.32 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3nnk h GLU 105 CO -0.00 0.70 0.41 0.82 -1.16 0.00 0.00 179.01 179.78 3nnk h ILE 106 N 0.04 1.13 -0.57 3.13 2.04 -1.37 -0.30 117.51 121.62 3nnk h ILE 106 Ca 0.04 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3nnk h ILE 106 Cb 0.60 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3nnk h ILE 106 CO 0.03 0.15 0.28 0.00 0.00 0.00 0.00 178.15 178.61 3nnk h ALA 107 N 1.25 1.42 -0.49 1.87 0.00 -1.45 -1.76 119.26 120.10 3nnk h ALA 107 Ca 0.24 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3nnk h ALA 107 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3nnk h ALA 107 CO -0.07 0.46 -0.16 -0.09 0.00 0.00 0.00 179.25 179.39 3nnk h ARG 108 N 0.80 0.95 0.00 0.00 2.43 -0.38 -1.93 114.38 116.24 3nnk h ARG 108 Ca 0.20 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 3nnk h ARG 108 Cb 0.07 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3nnk h ARG 108 CO -0.03 1.04 -0.17 0.00 -1.51 0.00 0.00 179.97 179.29 3nnk h ARG 109 N 0.83 0.00 0.00 0.20 2.47 -0.84 -1.95 114.38 115.09 3nnk h ARG 109 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3nnk h ARG 109 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 3nnk h ARG 109 CO 0.06 0.17 0.00 0.00 0.56 0.00 0.00 179.97 180.76 3nnk n ARG 111 N -1.00 -3.07 -3.57 0.00 1.74 -0.73 -4.17 116.66 105.86 3nnk n ARG 111 Ca 0.23 0.60 -0.31 0.00 -0.77 0.00 0.00 57.85 57.59 3nnk n ARG 111 Cb 0.10 -4.79 -0.05 0.00 -1.02 0.00 0.00 32.46 26.70 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 -2.94 3.71 -0.55 7.54 0.00 -0.77 -0.49 121.76 128.27 3nnk s ALA 112 Ca 0.19 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.38 3nnk s ALA 112 Cb -0.08 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.82 3nnk s ALA 112 CO 0.23 0.58 1.41 -2.00 0.00 0.00 0.00 175.76 175.98 3nnk s GLU 113 N -2.80 3.33 -0.28 0.00 2.12 -0.75 -4.61 118.70 115.70 3nnk s GLU 113 Ca 0.43 0.50 -0.17 0.00 0.36 0.00 0.00 54.97 56.09 3nnk s GLU 113 Cb -0.12 -4.11 -0.02 0.00 0.26 0.00 0.00 34.13 30.14 3nnk s GLU 113 CO 0.24 -1.90 0.49 0.08 -0.54 0.00 0.00 175.26 173.63 3nnk s VAL 114 N 6.00 5.07 -0.01 3.70 1.01 -1.26 -1.93 120.40 132.99 3nnk s VAL 114 Ca 0.53 0.72 0.01 0.00 0.00 0.00 0.00 61.98 63.25 3nnk s VAL 114 Cb -0.11 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3nnk s VAL 114 CO 0.26 0.03 -0.01 -1.00 0.00 0.00 0.00 175.10 174.38 3nnk s HIS 115 N 2.29 3.06 0.02 5.22 3.76 0.14 -4.98 115.29 124.80 3nnk s HIS 115 Ca 0.20 0.07 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 3nnk s HIS 115 Cb -0.16 -1.67 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 3nnk s HIS 115 CO 0.10 0.45 -0.05 0.95 -0.85 0.00 0.00 174.74 175.34 3nnk s THR 116 N -1.06 0.31 0.13 1.30 -4.23 -1.26 -0.48 115.64 110.35 3nnk s THR 116 Ca 0.19 -0.75 0.10 0.00 -1.18 0.00 0.00 61.69 60.04 3nnk s THR 116 Cb -0.11 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 3nnk s THR 116 CO 0.09 -0.29 -0.23 0.27 -0.54 0.00 0.00 174.62 173.92 3nnk s ILE 117 N -1.03 2.02 -0.02 2.99 -4.36 -1.01 -4.95 121.20 114.84 3nnk s ILE 117 Ca -0.09 -1.74 0.05 0.00 -0.26 0.00 0.00 60.65 58.61 3nnk s ILE 117 Cb -0.07 -1.84 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 3nnk s ILE 117 CO -0.00 -0.04 -0.17 -1.61 0.24 0.00 0.00 174.94 173.35 3nnk s GLU 118 N -2.19 1.49 0.10 0.37 2.02 -1.26 -0.88 118.70 118.36 3nnk s GLU 118 Ca 0.12 -0.62 0.09 0.00 0.02 0.00 0.00 54.97 54.58 3nnk s GLU 118 Cb -0.09 -1.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 3nnk s GLU 118 CO 0.06 0.35 -0.23 0.14 0.02 0.00 0.00 175.26 175.60 3nnk s VAL 119 N -0.31 1.86 0.53 2.63 -7.23 -1.16 -5.02 120.40 111.70 3nnk s VAL 119 Ca 0.04 -1.56 -0.20 0.00 -1.81 0.00 0.00 61.98 58.45 3nnk s VAL 119 Cb -0.08 -1.67 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 3nnk s VAL 119 CO -0.00 0.01 1.13 -2.16 -0.31 0.00 0.00 175.10 173.78 3nnk s PRO 120 N -1.86 3.40 0.06 4.82 0.04 -1.26 -4.61 135.00 135.59 3nnk s PRO 120 Ca 0.09 1.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 3nnk s PRO 120 Cb -0.10 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3nnk s PRO 120 CO 0.04 -0.81 1.52 -1.58 0.04 0.00 0.00 177.00 176.21 3nnk s TRP 121 N -1.75 2.75 -0.61 0.56 0.52 -1.26 0.45 118.94 119.61 3nnk s TRP 121 Ca 0.72 0.61 0.04 0.00 0.02 0.00 0.00 56.10 57.49 3nnk s TRP 121 Cb -0.24 -3.82 0.16 0.00 -1.15 0.00 0.00 33.47 28.41 3nnk s TRP 121 CO 0.28 -3.14 0.40 0.20 0.02 0.00 0.00 176.95 174.70 3nnk s GLY 122 N 1.90 2.58 0.19 0.98 0.00 -1.26 -5.02 107.32 106.69 3nnk s GLY 122 Ca 0.69 -3.48 0.02 0.00 0.00 0.00 0.00 44.72 41.95 3nnk s GLY 122 CO 0.30 1.17 0.19 1.18 0.00 0.00 0.00 173.10 175.94 3nnk n GLU 123 N 2.48 1.09 -4.19 2.90 1.02 0.17 -2.92 120.64 121.19 3nnk n GLU 123 Ca 0.15 -1.15 -0.14 0.00 -0.02 0.00 0.00 57.16 56.00 3nnk n GLU 123 Cb 0.35 0.05 -0.11 0.00 -0.02 0.00 0.00 31.44 31.72 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 -0.69 0.99 0.31 2.62 0.11 -1.26 -4.91 120.40 117.56 3nnk s VAL 124 Ca 0.14 -1.76 -0.27 0.00 -2.93 0.00 0.00 61.98 57.16 3nnk s VAL 124 Cb -0.01 -1.50 -0.10 0.00 -1.53 0.00 0.00 36.38 33.24 3nnk s VAL 124 CO 0.09 -0.62 0.97 -0.36 -3.33 0.00 0.00 175.10 171.85 3nnk s PHE 125 N -2.73 3.70 0.11 1.54 0.08 -1.26 -5.02 117.98 114.41 3nnk s PHE 125 Ca 0.09 1.79 -0.11 0.00 0.12 0.00 0.00 56.93 58.82 3nnk s PHE 125 Cb -0.01 -3.00 -0.06 0.00 -0.57 0.00 0.00 43.02 39.37 3nnk s PHE 125 CO -0.00 0.08 0.46 0.99 -0.10 0.00 0.00 175.22 176.65 3nnk s THR 126 N -1.46 5.01 0.33 0.64 2.01 -1.26 -4.80 115.64 116.11 3nnk s THR 126 Ca 0.48 0.55 0.12 0.00 0.31 0.00 0.00 61.69 63.16 3nnk s THR 126 Cb -0.22 -3.67 0.37 0.00 0.01 0.00 0.00 72.50 68.99 3nnk s THR 126 CO 0.28 0.24 1.53 -2.65 -0.69 0.00 0.00 174.62 173.33 3nnk n PRO 127 N 0.76 -0.07 0.10 4.92 -0.02 -1.26 -1.33 135.00 138.11 3nnk n PRO 127 Ca -0.06 1.39 -0.02 0.00 -2.02 0.00 0.00 63.50 62.79 3nnk n PRO 127 Cb 0.52 -2.36 0.23 0.00 -0.02 0.00 0.00 33.50 31.87 3nnk n PRO 127 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3nnk h ASP 128 N 0.00 0.22 -0.52 2.55 3.32 -1.98 -2.53 116.42 117.47 3nnk h ASP 128 Ca 0.72 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.67 3nnk h ASP 128 Cb 1.75 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 41.21 3nnk h ASP 128 CO -0.82 0.62 0.29 1.56 -1.72 0.00 0.00 179.24 179.17 3nnk h GLN 129 N 0.18 0.73 0.07 3.56 4.20 -1.61 -1.49 115.11 120.74 3nnk h GLN 129 Ca 0.02 -0.08 -0.25 0.00 0.06 0.00 0.00 58.65 58.40 3nnk h GLN 129 Cb 0.82 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3nnk h GLN 129 CO 0.06 0.56 -1.09 -0.39 -0.67 0.00 0.00 178.83 177.31 3nnk h VAL 130 N 0.70 1.45 -0.67 -0.54 -1.51 -1.56 -2.90 116.25 111.22 3nnk h VAL 130 Ca 0.18 -2.75 -0.06 0.00 -1.23 0.00 0.00 66.70 62.84 3nnk h VAL 130 Cb 0.04 2.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.85 3nnk h VAL 130 CO -0.03 0.81 0.19 -0.08 -1.23 0.00 0.00 177.57 177.23 3nnk h GLU 131 N 0.15 1.05 -0.42 5.19 4.81 -1.34 0.70 114.58 124.71 3nnk h GLU 131 Ca -0.10 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3nnk h GLU 131 Cb 1.76 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.97 3nnk h GLU 131 CO 0.18 0.91 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.85 3nnk h ASP 132 N 1.00 0.70 -0.14 1.04 3.45 -1.34 -0.35 116.42 120.79 3nnk h ASP 132 Ca 0.22 -0.19 -0.11 0.00 0.43 0.00 0.00 57.03 57.37 3nnk h ASP 132 Cb 0.31 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3nnk h ASP 132 CO -0.00 0.82 -0.36 0.00 -1.57 0.00 0.00 179.24 178.13 3nnk h ALA 133 N 1.25 0.23 -0.63 3.45 0.00 -1.17 -0.71 119.26 121.68 3nnk h ALA 133 Ca 0.12 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.67 3nnk h ALA 133 Cb 0.53 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 3nnk h ALA 133 CO 0.03 0.30 0.29 0.28 0.00 0.00 0.00 179.25 180.15 3nnk h VAL 134 N 0.09 0.85 -0.84 0.00 2.07 0.46 -0.34 116.25 118.54 3nnk h VAL 134 Ca -0.01 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3nnk h VAL 134 Cb 0.97 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3nnk h VAL 134 CO 0.08 0.09 0.39 0.11 0.02 0.00 0.00 177.57 178.26 3nnk h LYS 135 N 0.51 1.21 -0.06 1.57 1.57 -1.01 -1.76 116.57 118.61 3nnk h LYS 135 Ca 0.31 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3nnk h LYS 135 Cb 0.31 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3nnk h LYS 135 CO -0.26 0.94 -0.20 0.00 -0.57 0.00 0.00 179.45 179.37 3nnk h ARG 136 N 1.20 0.24 0.00 3.15 3.08 -0.24 -3.38 114.38 118.43 3nnk h ARG 136 Ca 0.29 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3nnk h ARG 136 Cb 0.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3nnk h ARG 136 CO -0.03 0.80 -1.31 0.44 -1.07 0.00 0.00 179.97 178.79 3nnk n ILE 137 N -4.55 0.00 -3.43 2.04 -0.00 -0.22 -5.04 119.36 108.15 3nnk n ILE 137 Ca -0.08 -0.24 -0.21 0.00 -0.00 0.00 0.00 62.75 62.22 3nnk n ILE 137 Cb 0.42 0.57 0.05 0.00 -0.00 0.00 0.00 39.64 40.68 3nnk n ILE 137 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3nnk n ARG 138 N -1.76 -1.71 -1.93 6.28 3.00 -0.66 -4.98 116.66 114.90 3nnk n ARG 138 Ca 0.00 0.74 -0.30 0.00 -0.01 0.00 0.00 57.85 58.28 3nnk n ARG 138 Cb 0.37 -5.01 0.02 0.00 0.00 0.00 0.00 32.46 27.85 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 -4.97 3.36 0.06 5.56 0.04 -1.26 -4.89 135.00 132.91 3nnk s PRO 139 Ca 0.42 0.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.05 3nnk s PRO 139 Cb -0.10 -2.08 -0.27 0.00 0.04 0.00 0.00 34.50 32.08 3nnk s PRO 139 CO 0.80 -0.69 1.08 -0.09 0.04 0.00 0.00 177.00 178.14 3nnk h ARG 140 N -0.38 0.22 -5.61 4.56 2.43 -1.46 -3.44 114.38 110.71 3nnk h ARG 140 Ca -0.44 -0.38 -0.54 0.00 -0.81 0.00 0.00 59.98 57.81 3nnk h ARG 140 Cb 1.21 0.14 -0.29 0.00 -0.42 0.00 0.00 29.97 30.61 3nnk h ARG 140 CO 0.62 1.14 -0.83 -0.51 -1.51 0.00 0.00 179.97 178.89 3nnk s LEU 141 N -7.02 2.03 -0.35 3.80 2.01 -1.19 -0.43 118.68 117.52 3nnk s LEU 141 Ca -0.05 -0.31 -0.10 0.00 0.01 0.00 0.00 54.13 53.68 3nnk s LEU 141 Cb 0.07 -0.88 0.02 0.00 0.01 0.00 0.00 46.19 45.41 3nnk s LEU 141 CO 0.87 0.21 0.19 -0.22 1.01 0.00 0.00 176.35 178.40 3nnk s LEU 142 N -0.38 4.53 -0.39 1.79 2.96 0.37 -1.23 118.68 126.31 3nnk s LEU 142 Ca 0.06 -0.85 -0.09 0.00 -0.22 0.00 0.00 54.13 53.03 3nnk s LEU 142 Cb -0.07 -2.02 0.06 0.00 0.50 0.00 0.00 46.19 44.67 3nnk s LEU 142 CO -0.01 -0.33 0.22 -0.76 -1.32 0.00 0.00 176.35 174.15 3nnk s LEU 143 N 1.57 4.90 0.24 -0.68 1.43 0.42 -1.81 118.68 124.74 3nnk s LEU 143 Ca 0.03 -1.33 0.11 0.00 -1.03 0.00 0.00 54.13 51.91 3nnk s LEU 143 Cb -0.18 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 3nnk s LEU 143 CO 0.06 -0.46 -0.19 0.42 0.23 0.00 0.00 176.35 176.41 3nnk s THR 144 N 1.44 2.57 -0.14 5.49 -4.23 -0.84 -3.95 115.64 115.99 3nnk s THR 144 Ca 0.02 -2.19 -0.07 0.00 -1.18 0.00 0.00 61.69 58.27 3nnk s THR 144 Cb -0.21 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 3nnk s THR 144 CO 0.03 -0.28 0.11 -0.69 -0.54 0.00 0.00 174.62 173.25 3nnk s VAL 145 N -2.15 5.20 0.00 2.29 1.01 -1.26 -0.95 120.40 124.54 3nnk s VAL 145 Ca 0.27 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3nnk s VAL 145 Cb -0.06 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3nnk s VAL 145 CO 0.14 0.56 0.10 1.67 0.00 0.00 0.00 175.10 177.57 3nnk n GLN 146 N 2.49 0.00 -3.63 2.72 7.27 -0.70 -4.63 117.38 120.91 3nnk n GLN 146 Ca -0.19 0.30 -0.39 0.00 0.07 0.00 0.00 57.00 56.80 3nnk n GLN 146 Cb 0.54 -0.87 -0.11 0.00 2.41 0.00 0.00 30.24 32.21 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 -1.48 1.89 -0.49 1.69 0.00 -1.26 -1.50 107.32 106.18 3nnk s GLY 147 Ca 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 44.72 43.09 3nnk s GLY 147 CO 0.00 0.75 0.41 -0.35 0.00 0.00 0.00 173.10 173.91 3nnk s ASP 148 N 1.60 6.04 0.52 1.64 -1.08 -0.91 -4.49 116.67 119.99 3nnk s ASP 148 Ca 0.04 -1.60 0.35 0.00 -0.52 0.00 0.00 52.55 50.82 3nnk s ASP 148 Cb -0.18 -2.15 1.85 0.00 -1.46 0.00 0.00 42.92 40.98 3nnk s ASP 148 CO 0.07 -0.72 2.07 0.71 0.52 0.00 0.00 175.17 177.81 3nnk h THR 149 N 5.90 0.00 0.00 1.71 1.35 -1.95 -0.07 112.91 119.85 3nnk h THR 149 Ca -0.27 -0.06 -0.06 0.00 -0.55 0.00 0.00 66.41 65.47 3nnk h THR 149 Cb 1.10 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 3nnk h THR 149 CO 0.92 0.00 -0.28 0.77 -0.25 0.00 0.00 175.52 176.68 3nnk h SER 150 N 0.00 0.00 0.00 5.36 4.64 -1.97 -3.29 113.55 118.30 3nnk h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nnk h SER 150 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3nnk h SER 150 CO 0.00 0.28 -0.04 0.35 -0.87 0.00 0.00 176.83 176.55 3nnk n THR 151 N -3.58 0.00 -1.27 2.95 -2.24 -0.74 -4.94 114.28 104.46 3nnk n THR 151 Ca -0.01 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3nnk n THR 151 Cb 0.42 0.97 -0.04 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 -0.91 0.00 -3.56 4.28 -2.24 -0.11 -4.81 114.28 106.92 3nnk n THR 152 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3nnk n THR 152 Cb 0.00 -1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 66.98 3nnk n THR 152 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 153 N -2.58 3.74 -0.25 -0.78 -1.94 -1.22 -1.28 119.30 114.99 3nnk s MET 153 Ca 0.00 0.13 0.02 0.00 -1.71 0.00 0.00 55.69 54.13 3nnk s MET 153 Cb 0.00 -2.87 0.05 0.00 2.01 0.00 0.00 34.83 34.02 3nnk s MET 153 CO 0.00 0.47 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.20 3nnk s LEU 154 N -2.34 3.25 0.05 -0.03 1.98 0.22 -2.13 118.68 119.67 3nnk s LEU 154 Ca 0.39 -1.24 -0.31 0.00 -2.89 0.00 0.00 54.13 50.08 3nnk s LEU 154 Cb -0.13 -1.55 -0.06 0.00 0.66 0.00 0.00 46.19 45.11 3nnk s LEU 154 CO 0.21 -0.16 1.26 -1.58 -1.89 0.00 0.00 176.35 174.19 3nnk s GLN 155 N 1.15 4.38 0.17 1.98 2.00 -0.56 -4.79 119.66 123.99 3nnk s GLN 155 Ca -0.06 1.84 -0.31 0.00 -2.00 0.00 0.00 55.36 54.84 3nnk s GLN 155 Cb -0.19 -3.38 -0.09 0.00 0.80 0.00 0.00 33.01 30.15 3nnk s GLN 155 CO -0.06 -0.36 1.40 -2.14 -0.50 0.00 0.00 175.29 173.63 3nnk s PRO 156 N 1.38 4.32 -0.01 1.67 0.02 -1.26 -4.90 135.00 136.21 3nnk s PRO 156 Ca 0.60 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.80 3nnk s PRO 156 Cb -0.31 -3.20 -0.05 0.00 0.02 0.00 0.00 34.50 30.97 3nnk s PRO 156 CO 0.28 -0.41 0.05 1.28 -0.33 0.00 0.00 177.00 177.87 3nnk n LEU 157 N 3.31 0.00 -0.09 -5.54 4.32 -1.26 -4.63 117.00 113.12 3nnk n LEU 157 Ca 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 56.02 3nnk n LEU 157 Cb 0.42 0.03 -0.00 0.00 -1.62 0.00 0.00 43.42 42.24 3nnk n LEU 157 CO 0.59 0.03 0.76 0.00 -1.22 0.00 0.00 177.39 177.55 3nnk h ALA 158 N 0.24 0.13 0.00 -1.18 0.00 -1.92 -1.61 119.26 114.92 3nnk h ALA 158 Ca -0.03 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3nnk h ALA 158 Cb 0.52 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3nnk h ALA 158 CO 0.00 -0.52 -0.38 0.93 0.00 0.00 0.00 179.25 179.28 3nnk h GLU 159 N -0.08 0.00 0.00 0.00 5.08 -1.94 -2.55 114.58 115.10 3nnk h GLU 159 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3nnk h GLU 159 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3nnk h GLU 159 CO -0.38 0.38 0.00 -0.07 -1.00 0.00 0.00 179.01 177.94 3nnk h LEU 160 N 0.00 0.00 0.02 1.33 4.07 -1.58 -3.22 115.31 115.93 3nnk h LEU 160 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3nnk h LEU 160 Cb 0.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 3nnk h LEU 160 CO 0.05 0.00 -0.01 1.23 -1.08 0.00 0.00 178.44 178.63 3nnk h GLY 161 N 1.83 -0.02 1.50 0.83 0.00 -0.93 -2.80 103.07 103.48 3nnk h GLY 161 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3nnk h GLY 161 CO 0.00 -0.01 -0.15 0.83 0.00 0.00 0.00 176.54 177.21 3nnk h GLU 162 N -0.48 0.60 -0.02 4.80 4.39 -1.67 -1.77 114.58 120.42 3nnk h GLU 162 Ca -0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3nnk h GLU 162 Cb 0.46 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3nnk h GLU 162 CO 0.00 0.72 0.00 0.82 -1.16 0.00 0.00 179.01 179.40 3nnk h ILE 163 N 0.54 0.99 -0.65 3.13 2.04 -1.62 0.42 117.51 122.36 3nnk h ILE 163 Ca 0.09 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 3nnk h ILE 163 Cb 0.57 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3nnk h ILE 163 CO 0.04 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.58 3nnk h ARG 165 N 0.89 0.00 -0.05 0.00 -0.00 -0.94 -0.86 114.38 113.42 3nnk h ARG 165 Ca 0.23 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.99 3nnk h ARG 165 Cb -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 29.93 3nnk h ARG 165 CO -0.05 0.00 -0.87 0.00 -0.00 0.00 0.00 179.97 179.06 3nnk h ARG 166 N 0.00 0.54 -0.33 0.08 3.08 0.45 -3.35 114.38 114.85 3nnk h ARG 166 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3nnk h ARG 166 Cb 0.94 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3nnk h ARG 166 CO 0.00 1.14 0.00 0.66 -1.07 0.00 0.00 179.97 180.70 3nnk n TYR 167 N -3.83 0.44 -3.52 3.04 4.01 -0.89 -4.98 117.16 111.42 3nnk n TYR 167 Ca -0.07 -0.38 -0.25 0.00 -0.16 0.00 0.00 57.90 57.04 3nnk n TYR 167 Cb 0.79 -0.02 0.06 0.00 -0.31 0.00 0.00 39.34 39.86 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 0.76 -6.05 -4.88 7.72 4.64 -0.66 -5.00 116.55 113.08 3nnk n ASP 168 Ca 0.13 -0.52 -0.36 0.00 -1.38 0.00 0.00 54.79 52.66 3nnk n ASP 168 Cb 0.44 -4.79 -0.06 0.00 -1.04 0.00 0.00 41.12 35.67 3nnk n ASP 168 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3nnk s ALA 169 N -3.28 3.87 0.15 -1.67 0.00 -0.42 -4.99 121.76 115.42 3nnk s ALA 169 Ca 0.54 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 3nnk s ALA 169 Cb -0.24 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 20.88 3nnk s ALA 169 CO 0.67 0.65 1.12 -0.51 0.00 0.00 0.00 175.76 177.69 3nnk s LEU 170 N -1.24 4.46 -0.28 0.00 1.43 0.43 -4.56 118.68 118.91 3nnk s LEU 170 Ca 0.18 2.07 -0.04 0.00 -1.03 0.00 0.00 54.13 55.30 3nnk s LEU 170 Cb -0.12 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.53 3nnk s LEU 170 CO 0.07 -0.29 0.02 0.12 0.23 0.00 0.00 176.35 176.50 3nnk s PHE 171 N 0.10 3.14 0.05 0.29 5.36 -1.26 -0.48 117.98 125.18 3nnk s PHE 171 Ca 0.52 -1.38 0.09 0.00 -0.96 0.00 0.00 56.93 55.20 3nnk s PHE 171 Cb -0.29 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 3nnk s PHE 171 CO 0.34 -0.68 -0.25 -0.47 -1.46 0.00 0.00 175.22 172.69 3nnk s TYR 172 N 1.39 2.36 0.02 10.12 6.14 -0.75 0.11 117.35 136.74 3nnk s TYR 172 Ca 0.00 -0.39 0.02 0.00 0.64 0.00 0.00 57.07 57.35 3nnk s TYR 172 Cb -0.18 -1.40 -0.02 0.00 0.42 0.00 0.00 41.96 40.79 3nnk s TYR 172 CO -0.01 0.15 -0.07 -0.08 0.64 0.00 0.00 175.55 176.18 3nnk s THR 173 N -0.83 0.54 -0.45 4.34 -1.32 -0.74 -1.98 115.64 115.19 3nnk s THR 173 Ca 0.12 -0.76 -0.20 0.00 -1.21 0.00 0.00 61.69 59.64 3nnk s THR 173 Cb -0.10 -0.55 0.03 0.00 -1.51 0.00 0.00 72.50 70.37 3nnk s THR 173 CO 0.03 -0.17 0.61 -0.62 -2.21 0.00 0.00 174.62 172.26 3nnk s ASP 174 N -1.01 6.29 -0.18 8.08 2.15 -0.12 -2.51 116.67 129.36 3nnk s ASP 174 Ca -0.05 -0.49 0.16 0.00 0.43 0.00 0.00 52.55 52.61 3nnk s ASP 174 Cb -0.07 -2.30 0.49 0.00 -0.30 0.00 0.00 42.92 40.74 3nnk s ASP 174 CO 0.00 -0.78 1.39 0.00 -0.17 0.00 0.00 175.17 175.62 3nnk n ALA 175 N 6.17 3.02 -0.34 3.66 0.00 0.49 -1.71 120.51 131.79 3nnk n ALA 175 Ca -0.03 -2.44 0.01 0.00 0.00 0.00 0.00 53.44 50.98 3nnk n ALA 175 Cb 0.47 -0.67 0.17 0.00 0.00 0.00 0.00 19.45 19.42 3nnk n ALA 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3nnk h THR 176 N 1.47 1.17 0.00 0.00 1.35 -1.84 -0.84 112.91 114.22 3nnk h THR 176 Ca 0.02 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 3nnk h THR 176 Cb 1.41 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 3nnk h THR 176 CO 0.21 0.22 -0.69 0.00 -0.25 0.00 0.00 175.52 175.00 3nnk h ALA 177 N 1.44 0.69 0.00 6.62 0.00 -1.85 -3.39 119.26 122.78 3nnk h ALA 177 Ca 0.37 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 3nnk h ALA 177 Cb -0.01 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3nnk h ALA 177 CO -0.11 0.19 -2.15 -1.13 0.00 0.00 0.00 179.25 176.05 3nnk n SER 178 N -2.90 1.39 -4.67 0.00 3.41 -1.03 -4.66 113.62 105.16 3nnk n SER 178 Ca 0.00 -0.04 -0.48 0.00 -0.26 0.00 0.00 58.87 58.10 3nnk n SER 178 Cb 0.60 0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 65.02 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 -2.77 3.11 0.00 1.04 7.94 -0.35 -1.14 117.00 124.84 3nnk n LEU 179 Ca -0.30 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 3nnk n LEU 179 Cb 0.99 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.57 3nnk n LEU 179 CO 0.31 -0.25 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 3nnk n GLY 180 N 3.79 2.92 0.01 -3.96 0.00 -1.26 -4.35 105.19 102.33 3nnk n GLY 180 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.13 -0.85 3.13 -0.02 0.00 -0.70 -3.45 105.19 103.16 3nnk n GLY 181 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.81 1.02 0.34 1.61 0.01 -0.29 -4.63 114.94 109.19 3nnk s ASN 182 Ca -0.03 -0.83 -0.29 0.00 -0.71 0.00 0.00 52.86 51.01 3nnk s ASN 182 Cb 0.13 0.07 -0.11 0.00 0.41 0.00 0.00 41.25 41.75 3nnk s ASN 182 CO 0.80 -0.36 1.52 -2.84 -1.51 0.00 0.00 177.10 174.70 3nnk s PRO 183 N -2.94 4.14 -0.35 -0.60 0.02 -1.26 -4.70 135.00 129.31 3nnk s PRO 183 Ca 0.03 2.54 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3nnk s PRO 183 Cb -0.01 -3.00 0.16 0.00 0.02 0.00 0.00 34.50 31.67 3nnk s PRO 183 CO -0.03 -0.55 0.41 -1.17 -0.33 0.00 0.00 177.00 175.33 3nnk s LEU 184 N -1.39 -0.44 -1.03 -5.54 2.96 -1.26 -5.02 118.68 106.97 3nnk s LEU 184 Ca 0.57 -1.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 3nnk s LEU 184 Cb -0.46 0.86 0.16 0.00 0.50 0.00 0.00 46.19 47.25 3nnk s LEU 184 CO 0.56 -0.28 1.21 -1.61 -1.32 0.00 0.00 176.35 174.90 3nnk s GLU 185 N 1.84 3.81 0.11 1.98 0.41 -1.26 -4.50 118.70 121.10 3nnk s GLU 185 Ca 0.14 -2.20 -0.27 0.00 -0.41 0.00 0.00 54.97 52.24 3nnk s GLU 185 Cb -0.13 -4.91 -0.07 0.00 -1.78 0.00 0.00 34.13 27.23 3nnk s GLU 185 CO -0.13 -1.70 1.64 1.15 -0.49 0.00 0.00 175.26 175.72 3nnk h THR 186 N 5.20 0.43 -0.15 3.63 2.02 -1.56 0.53 112.91 123.01 3nnk h THR 186 Ca 0.21 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.20 3nnk h THR 186 Cb 0.96 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3nnk h THR 186 CO 1.12 0.00 -0.67 0.44 0.37 0.00 0.00 175.52 176.78 3nnk h ASP 187 N -0.44 0.85 0.30 4.18 5.19 -1.83 -0.16 116.42 124.51 3nnk h ASP 187 Ca 0.04 -0.62 -0.06 0.00 -0.62 0.00 0.00 57.03 55.76 3nnk h ASP 187 Cb 0.49 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3nnk h ASP 187 CO -0.17 1.34 -0.30 -0.37 -3.12 0.00 0.00 179.24 176.61 3nnk h VAL 188 N 0.42 1.21 -0.55 -1.35 -1.51 -1.79 -2.26 116.25 110.41 3nnk h VAL 188 Ca -0.04 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 3nnk h VAL 188 Cb 1.31 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 3nnk h VAL 188 CO 0.14 0.29 0.00 0.79 -1.23 0.00 0.00 177.57 177.56 3nnk n TRP 189 N -4.18 0.72 -3.29 5.19 8.01 0.16 -4.98 117.44 119.08 3nnk n TRP 189 Ca -0.02 -0.36 -0.16 0.00 -1.31 0.00 0.00 57.50 55.64 3nnk n TRP 189 Cb 0.34 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.72 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 1.52 -0.27 3.72 6.99 0.00 -0.85 -4.05 105.19 112.25 3nnk n GLY 190 Ca 0.21 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.94 4.34 -0.07 0.99 1.43 -0.08 -4.74 118.68 114.60 3nnk s LEU 191 Ca 0.13 1.26 0.07 0.00 -1.03 0.00 0.00 54.13 54.57 3nnk s LEU 191 Cb -0.06 -3.14 -0.24 0.00 0.03 0.00 0.00 46.19 42.78 3nnk s LEU 191 CO 0.63 -0.11 0.55 0.47 0.23 0.00 0.00 176.35 178.12 3nnk n ASP 192 N 3.67 1.19 -3.77 2.29 8.00 0.12 -4.54 116.55 123.51 3nnk n ASP 192 Ca -0.01 0.34 -0.13 0.00 0.71 0.00 0.00 54.79 55.71 3nnk n ASP 192 Cb 0.51 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.25 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 -2.58 -0.60 -0.04 2.24 0.00 -0.87 -0.40 121.76 119.51 3nnk s ALA 193 Ca -0.10 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3nnk s ALA 193 Cb 0.08 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3nnk s ALA 193 CO 0.81 -0.14 -0.06 0.08 0.00 0.00 0.00 175.76 176.44 3nnk s VAL 194 N 0.51 0.67 0.12 0.00 1.01 -0.86 -1.79 120.40 120.06 3nnk s VAL 194 Ca -0.03 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3nnk s VAL 194 Cb -0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3nnk s VAL 194 CO -0.03 0.25 -0.16 -0.94 0.00 0.00 0.00 175.10 174.22 3nnk s SER 195 N 0.76 3.99 0.05 3.32 1.04 -1.05 -1.74 113.70 120.08 3nnk s SER 195 Ca -0.11 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.79 3nnk s SER 195 Cb -0.14 -0.60 -0.00 0.00 0.10 0.00 0.00 66.02 65.37 3nnk s SER 195 CO 0.01 0.17 0.04 0.00 0.98 0.00 0.00 173.24 174.44 3nnk n ALA 196 N 0.71 0.11 -3.16 5.32 0.00 0.01 -0.38 120.51 123.12 3nnk n ALA 196 Ca -0.15 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 3nnk n ALA 196 Cb 0.53 0.25 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.38 0.56 -0.17 0.00 0.00 -1.26 -3.96 107.32 101.11 3nnk s GLY 197 Ca 0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 44.72 43.83 3nnk s GLY 197 CO 0.04 -0.64 0.16 1.03 0.00 0.00 0.00 173.10 173.69 3nnk n MET 198 N -0.38 0.71 -0.37 2.90 2.81 -1.25 -4.64 117.12 116.90 3nnk n MET 198 Ca -0.01 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3nnk n MET 198 Cb 0.62 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3nnk n GLN 199 N -3.47 0.87 0.31 0.03 0.00 -1.24 -0.28 117.38 113.59 3nnk n GLN 199 Ca -0.37 0.00 0.13 0.00 0.00 0.00 0.00 57.00 56.76 3nnk n GLN 199 Cb 1.01 -1.06 0.68 0.00 0.00 0.00 0.00 30.24 30.87 3nnk n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3nnk h LEU 202 N 0.00 0.18 -2.98 0.00 4.07 -1.75 -3.32 115.31 111.51 3nnk h LEU 202 Ca 0.00 -0.65 -0.00 0.00 0.08 0.00 0.00 57.88 57.31 3nnk h LEU 202 Cb 0.76 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.45 3nnk h LEU 202 CO 0.00 0.80 -0.00 0.61 -1.08 0.00 0.00 178.44 178.77 3nnk n GLY 203 N 0.69 -0.27 0.00 0.83 0.00 0.61 -4.76 105.19 102.28 3nnk n GLY 203 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -1.04 0.47 3.83 -0.02 0.00 -1.26 -2.10 105.19 105.08 3nnk n GLY 204 Ca -0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N 0.00 4.01 0.61 1.61 0.04 -1.26 -3.70 135.00 136.30 3nnk s PRO 205 Ca 0.00 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.39 3nnk s PRO 205 Cb 0.00 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3nnk s PRO 205 CO 0.00 0.58 1.11 -1.54 0.04 0.00 0.00 177.00 177.20 3nnk s SER 206 N -1.39 5.41 0.00 6.66 1.04 -1.26 -4.38 113.70 119.77 3nnk s SER 206 Ca 0.31 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.80 3nnk s SER 206 Cb -0.17 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3nnk s SER 206 CO 0.18 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.58 3nnk n GLY 207 N -0.29 -0.25 2.99 7.32 0.00 -1.26 -4.95 105.19 108.75 3nnk n GLY 207 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.47 0.24 -0.22 2.61 2.01 -0.56 -1.76 115.64 117.49 3nnk s THR 208 Ca 0.00 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 3nnk s THR 208 Cb 0.00 -0.35 0.06 0.00 0.01 0.00 0.00 72.50 72.22 3nnk s THR 208 CO 0.00 -0.40 -0.01 -0.55 -0.69 0.00 0.00 174.62 172.98 3nnk s SER 209 N -1.31 3.42 0.13 3.53 0.15 -0.36 -3.92 113.70 115.32 3nnk s SER 209 Ca -0.12 -1.03 -0.31 0.00 0.70 0.00 0.00 55.95 55.20 3nnk s SER 209 Cb -0.09 -0.90 -0.08 0.00 -1.71 0.00 0.00 66.02 63.25 3nnk s SER 209 CO -0.00 -0.27 1.33 -2.84 1.20 0.00 0.00 173.24 172.66 3nnk s PRO 210 N 1.62 4.36 0.08 5.44 0.02 -1.25 -0.49 135.00 144.77 3nnk s PRO 210 Ca -0.03 2.01 0.05 0.00 0.02 0.00 0.00 61.00 63.06 3nnk s PRO 210 Cb -0.18 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 3nnk s PRO 210 CO -0.07 -0.35 -0.15 0.96 -0.33 0.00 0.00 177.00 177.05 3nnk s ILE 211 N 0.84 1.19 -0.01 2.83 -4.36 0.45 -0.81 121.20 121.32 3nnk s ILE 211 Ca 0.61 -1.39 0.03 0.00 -0.26 0.00 0.00 60.65 59.65 3nnk s ILE 211 Cb -0.35 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.17 3nnk s ILE 211 CO 0.32 -0.24 -0.10 0.28 0.24 0.00 0.00 174.94 175.44 3nnk s THR 212 N -1.41 0.80 -0.08 8.37 -1.32 -0.71 -1.06 115.64 120.24 3nnk s THR 212 Ca 0.00 -0.42 0.03 0.00 -1.21 0.00 0.00 61.69 60.09 3nnk s THR 212 Cb -0.09 -0.67 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 3nnk s THR 212 CO 0.02 0.23 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.73 3nnk s LEU 213 N -0.19 1.83 0.85 9.08 1.43 -0.52 -2.04 118.68 129.13 3nnk s LEU 213 Ca 0.03 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 3nnk s LEU 213 Cb -0.04 -1.06 0.10 0.00 0.03 0.00 0.00 46.19 45.22 3nnk s LEU 213 CO -0.00 0.09 1.09 -0.94 0.23 0.00 0.00 176.35 176.82 3nnk s SER 214 N 0.51 3.96 0.45 2.29 1.04 0.47 -4.37 113.70 118.05 3nnk s SER 214 Ca -0.16 1.44 0.14 0.00 0.48 0.00 0.00 55.95 57.85 3nnk s SER 214 Cb -0.16 -2.14 1.07 0.00 0.10 0.00 0.00 66.02 64.88 3nnk s SER 214 CO 0.06 -2.32 2.02 0.00 0.98 0.00 0.00 173.24 173.97 3nnk h ALA 215 N -1.33 2.01 -0.20 5.32 0.00 -1.95 -0.61 119.26 122.50 3nnk h ALA 215 Ca -0.48 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 3nnk h ALA 215 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3nnk h ALA 215 CO 0.56 -0.10 -0.52 0.07 0.00 0.00 0.00 179.25 179.26 3nnk h ARG 216 N 0.34 0.58 -0.39 0.00 -0.00 -1.93 -2.83 114.38 110.14 3nnk h ARG 216 Ca 0.21 -0.35 -0.10 0.00 -0.00 0.00 0.00 59.98 59.75 3nnk h ARG 216 Cb 0.40 0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.39 3nnk h ARG 216 CO -0.05 0.95 -0.13 0.52 -0.00 0.00 0.00 179.97 181.27 3nnk h MET 217 N 0.45 0.77 -0.27 0.08 2.07 -1.44 -2.63 114.93 113.96 3nnk h MET 217 Ca 0.02 -0.31 -0.07 0.00 -2.07 0.00 0.00 59.70 57.27 3nnk h MET 217 Cb 1.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.74 3nnk h MET 217 CO 0.10 0.93 -0.12 1.05 1.07 0.00 0.00 176.91 179.94 3nnk h GLU 218 N 0.58 0.46 -0.42 1.72 4.11 -1.18 -1.64 114.58 118.21 3nnk h GLU 218 Ca 0.09 -0.12 -0.12 0.00 0.07 0.00 0.00 59.36 59.28 3nnk h GLU 218 Cb 0.66 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3nnk h GLU 218 CO 0.05 0.57 -0.23 1.49 0.07 0.00 0.00 179.01 180.95 3nnk h GLU 219 N 0.42 0.86 -0.12 1.06 4.81 -1.49 0.12 114.58 120.24 3nnk h GLU 219 Ca 0.08 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 3nnk h GLU 219 Cb 0.46 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3nnk h GLU 219 CO 0.03 1.00 -0.15 0.00 -0.73 0.00 0.00 179.01 179.16 3nnk h ALA 220 N 0.99 1.53 0.06 2.92 0.00 -1.04 -2.81 119.26 120.90 3nnk h ALA 220 Ca 0.10 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 3nnk h ALA 220 Cb 0.77 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3nnk h ALA 220 CO 0.06 0.34 -1.56 0.82 0.00 0.00 0.00 179.25 178.91 3nnk h ILE 221 N 0.18 1.07 -0.16 0.00 2.04 -1.06 -3.33 117.51 116.25 3nnk h ILE 221 Ca 0.04 -2.81 -0.04 0.00 1.00 0.00 0.00 64.86 63.04 3nnk h ILE 221 Cb 0.38 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 3nnk h ILE 221 CO 0.02 0.73 -0.10 0.03 0.00 0.00 0.00 178.15 178.84 3nnk h ARG 222 N 0.03 0.24 0.00 2.37 -0.00 -0.91 -1.60 114.38 114.51 3nnk h ARG 222 Ca -0.24 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.19 3nnk h ARG 222 Cb 1.98 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.91 3nnk h ARG 222 CO 0.12 0.35 0.00 0.00 0.00 0.00 0.00 179.97 180.44 3nnk h ARG 223 N 0.23 0.00 -0.65 0.04 3.08 -1.61 -2.25 114.38 113.22 3nnk h ARG 223 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3nnk h ARG 223 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3nnk h ARG 223 CO 0.02 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.46 3nnk n ARG 224 N -2.94 3.85 -1.70 0.04 5.12 -0.60 -1.04 116.66 119.39 3nnk n ARG 224 Ca -0.01 -2.86 -0.43 0.00 -1.93 0.00 0.00 57.85 52.62 3nnk n ARG 224 Cb 0.17 -1.94 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 3nnk n ARG 224 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3nnk n LYS 225 N 1.06 2.67 -3.21 5.56 4.81 -0.84 -4.19 118.16 124.01 3nnk n LYS 225 Ca 0.26 0.97 -0.01 0.00 -0.87 0.00 0.00 58.31 58.65 3nnk n LYS 225 Cb 0.92 -2.82 -0.03 0.00 0.02 0.00 0.00 35.03 33.12 3nnk n LYS 225 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3nnk s VAL 227 N 2.71 4.58 0.22 0.00 1.01 -1.26 -4.98 120.40 122.68 3nnk s VAL 227 Ca 0.11 1.85 -0.32 0.00 0.00 0.00 0.00 61.98 63.62 3nnk s VAL 227 Cb -0.11 -4.19 -0.14 0.00 0.00 0.00 0.00 36.38 31.94 3nnk s VAL 227 CO -0.27 0.12 1.40 1.21 0.00 0.00 0.00 175.10 177.56 3nnk n GLU 228 N 4.09 1.92 -0.22 2.72 0.00 -1.26 -4.71 120.64 123.18 3nnk n GLU 228 Ca 0.07 0.68 0.13 0.00 0.00 0.00 0.00 57.16 58.05 3nnk n GLU 228 Cb 0.49 -2.34 0.43 0.00 0.00 0.00 0.00 31.44 30.03 3nnk n GLU 228 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3nnk h GLU 229 N 4.32 0.56 0.00 5.31 4.81 -1.94 -0.85 114.58 126.80 3nnk h GLU 229 Ca -0.45 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 3nnk h GLU 229 Cb 1.28 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3nnk h GLU 229 CO 0.77 0.37 -0.11 0.78 -0.73 0.00 0.00 179.01 180.08 3nnk h GLY 230 N 0.58 0.00 -0.05 1.92 0.00 -2.01 -3.11 103.07 100.40 3nnk h GLY 230 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3nnk h GLY 230 CO -0.16 0.00 -0.02 0.29 0.00 0.00 0.00 176.54 176.65 3nnk n ILE 231 N -3.38 1.02 -2.88 2.60 -5.35 -0.62 -5.02 119.36 105.73 3nnk n ILE 231 Ca -0.01 -1.10 -0.42 0.00 -0.27 0.00 0.00 62.75 60.95 3nnk n ILE 231 Cb 0.30 0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 38.56 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 -1.23 4.19 0.52 6.28 3.52 -0.42 -4.92 118.95 126.88 3nnk s ARG 232 Ca 0.07 0.96 0.07 0.00 -0.13 0.00 0.00 55.73 56.70 3nnk s ARG 232 Cb 0.06 -3.64 0.05 0.00 -1.56 0.00 0.00 34.95 29.86 3nnk s ARG 232 CO 0.01 -0.51 0.71 0.95 -0.81 0.00 0.00 175.30 175.65 3nnk s THR 233 N 2.81 2.59 0.39 4.11 -4.23 -1.26 -4.99 115.64 115.06 3nnk s THR 233 Ca 0.35 -0.91 0.27 0.00 -1.18 0.00 0.00 61.69 60.22 3nnk s THR 233 Cb -0.15 -2.67 0.29 0.00 1.34 0.00 0.00 72.50 71.30 3nnk s THR 233 CO 0.08 0.00 2.06 0.44 -0.54 0.00 0.00 174.62 176.65 3nnk h ASP 234 N 0.30 0.00 1.43 3.99 3.32 -2.03 -2.85 116.42 120.57 3nnk h ASP 234 Ca -0.37 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 3nnk h ASP 234 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 3nnk h ASP 234 CO 0.44 0.12 -0.00 0.00 -1.72 0.00 0.00 179.24 178.08 3nnk h ALA 235 N 1.88 1.00 -2.29 3.45 0.00 -2.02 -3.45 119.26 117.83 3nnk h ALA 235 Ca -0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 3nnk h ALA 235 Cb 0.36 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3nnk h ALA 235 CO 0.02 0.00 0.38 -1.01 0.00 0.00 0.00 179.25 178.64 3nnk s HIS 236 N -3.48 3.10 -0.06 0.00 3.76 -1.08 -5.08 115.29 112.46 3nnk s HIS 236 Ca 0.04 1.59 -0.12 0.00 -0.15 0.00 0.00 55.06 56.42 3nnk s HIS 236 Cb 0.07 -3.02 0.02 0.00 1.11 0.00 0.00 32.58 30.76 3nnk s HIS 236 CO 0.60 -0.64 0.28 -0.98 -0.85 0.00 0.00 174.74 173.14 3nnk s ARG 237 N -3.13 0.50 0.58 1.40 1.70 -1.26 -4.97 118.95 113.76 3nnk s ARG 237 Ca 0.65 0.05 -0.18 0.00 -0.47 0.00 0.00 55.73 55.78 3nnk s ARG 237 Cb -0.15 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 3nnk s ARG 237 CO 0.19 -0.11 1.13 -0.51 -1.08 0.00 0.00 175.30 174.92 3nnk s ASP 238 N -0.66 5.53 1.07 -2.89 1.01 -1.26 -4.77 116.67 114.69 3nnk s ASP 238 Ca -0.08 2.14 -0.16 0.00 0.71 0.00 0.00 52.55 55.16 3nnk s ASP 238 Cb -0.04 -2.57 0.23 0.00 1.01 0.00 0.00 42.92 41.54 3nnk s ASP 238 CO 0.02 -1.35 1.16 -0.83 0.21 0.00 0.00 175.17 174.38 3nnk s GLY 239 N -1.97 1.62 0.10 0.21 0.00 -0.12 -4.93 107.32 102.23 3nnk s GLY 239 Ca 0.71 -0.84 0.27 0.00 0.00 0.00 0.00 44.72 44.87 3nnk s GLY 239 CO 0.31 -0.08 1.82 2.09 0.00 0.00 0.00 173.10 177.25 3nnk n ASP 240 N -4.28 0.42 -4.91 1.64 5.75 -1.12 -4.82 116.55 109.22 3nnk n ASP 240 Ca 0.11 0.50 -0.21 0.00 -0.01 0.00 0.00 54.79 55.18 3nnk n ASP 240 Cb 0.59 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 -3.05 3.15 0.99 0.11 2.02 -0.21 -5.07 118.70 116.64 3nnk s GLU 241 Ca 0.12 -0.95 -0.11 0.00 0.02 0.00 0.00 54.97 54.06 3nnk s GLU 241 Cb 0.16 -2.73 0.19 0.00 0.10 0.00 0.00 34.13 31.85 3nnk s GLU 241 CO 0.57 0.34 1.11 -1.83 0.02 0.00 0.00 175.26 175.48 3nnk s GLU 242 N -3.96 0.43 0.57 1.61 -1.05 -1.26 -4.47 118.70 110.56 3nnk s GLU 242 Ca 0.36 1.35 -0.18 0.00 -0.15 0.00 0.00 54.97 56.35 3nnk s GLU 242 Cb -0.08 -1.67 -0.05 0.00 -0.44 0.00 0.00 34.13 31.89 3nnk s GLU 242 CO 0.28 -2.97 1.10 0.00 0.95 0.00 0.00 175.26 174.61 3nnk s MET 243 N -4.59 3.31 0.13 -4.83 0.23 -1.26 -4.57 119.30 107.72 3nnk s MET 243 Ca 0.67 1.45 -0.31 0.00 -1.03 0.00 0.00 55.69 56.47 3nnk s MET 243 Cb -0.23 -2.01 -0.08 0.00 -1.53 0.00 0.00 34.83 30.97 3nnk s MET 243 CO 0.60 -0.86 1.37 0.42 -2.03 0.00 0.00 175.02 174.53 3nnk s ILE 244 N -2.05 3.30 -1.17 3.16 1.01 -1.26 -4.92 121.20 119.26 3nnk s ILE 244 Ca 0.69 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 62.22 3nnk s ILE 244 Cb -0.20 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 3nnk s ILE 244 CO 0.31 0.08 2.82 -1.22 0.00 0.00 0.00 174.94 176.93 3nnk n TYR 245 N 3.73 2.08 -3.65 3.97 4.01 -1.26 -4.68 117.16 121.37 3nnk n TYR 245 Ca 0.11 -2.66 -0.04 0.00 -0.16 0.00 0.00 57.90 55.14 3nnk n TYR 245 Cb 0.42 -2.02 -0.07 0.00 -0.31 0.00 0.00 39.34 37.37 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 1.29 -0.18 -0.13 7.72 0.15 -1.26 -5.05 113.70 116.25 3nnk s SER 246 Ca 0.63 0.33 -0.22 0.00 0.70 0.00 0.00 55.95 57.39 3nnk s SER 246 Cb 0.22 0.39 -0.19 0.00 -1.71 0.00 0.00 66.02 64.73 3nnk s SER 246 CO -0.08 -0.06 0.58 -1.13 1.20 0.00 0.00 173.24 173.75 3nnk h ASN 247 N 3.59 -0.00 -0.17 5.45 -1.24 -1.98 -3.24 115.58 117.98 3nnk h ASN 247 Ca -0.27 -0.73 -0.03 0.00 0.71 0.00 0.00 56.30 55.97 3nnk h ASN 247 Cb 1.19 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.23 3nnk h ASN 247 CO 0.16 0.86 0.02 0.22 -1.29 0.00 0.00 177.43 177.39 3nnk h TYR 248 N -0.99 0.41 -0.69 0.67 3.20 -1.97 -2.90 116.97 114.69 3nnk h TYR 248 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3nnk h TYR 248 Cb 0.73 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3nnk h TYR 248 CO 0.20 0.40 0.00 1.19 -1.64 0.00 0.00 178.16 178.32 3nnk n PHE 249 N -4.34 1.17 -2.08 -3.82 3.72 -1.26 -4.85 117.46 106.01 3nnk n PHE 249 Ca 0.01 -0.55 -0.34 0.00 -0.05 0.00 0.00 57.45 56.52 3nnk n PHE 249 Cb 0.20 -0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 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 5.30 0.56 4.37 -1.08 -1.10 -4.64 116.67 119.11 3nnk s ASP 250 Ca 0.49 -0.11 0.35 0.00 -0.52 0.00 0.00 52.55 52.76 3nnk s ASP 250 Cb 0.28 -2.54 1.54 0.00 -1.46 0.00 0.00 42.92 40.74 3nnk s ASP 250 CO 0.29 -2.46 2.04 -0.07 0.52 0.00 0.00 175.17 175.49 3nnk h LEU 251 N 16.71 0.00 -0.69 -1.34 3.38 -1.89 -1.88 115.31 129.60 3nnk h LEU 251 Ca -0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3nnk h LEU 251 Cb 1.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3nnk h LEU 251 CO 1.22 0.00 0.45 1.23 0.09 0.00 0.00 178.44 181.43 3nnk h GLY 252 N 1.68 0.97 1.98 0.83 0.00 -1.87 -0.24 103.07 106.42 3nnk h GLY 252 Ca 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.77 3nnk h GLY 252 CO 0.00 0.36 -0.88 -0.33 0.00 0.00 0.00 176.54 175.69 3nnk h MET 253 N 0.93 0.02 -0.44 4.80 2.86 -1.74 -2.56 114.93 118.80 3nnk h MET 253 Ca 0.25 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3nnk h MET 253 Cb -0.10 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3nnk h MET 253 CO -0.05 0.88 0.04 0.28 1.06 0.00 0.00 176.91 179.12 3nnk h VAL 254 N 0.01 1.25 -0.93 -2.22 2.07 -1.25 -0.69 116.25 114.50 3nnk h VAL 254 Ca -0.01 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3nnk h VAL 254 Cb 1.55 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 3nnk h VAL 254 CO 0.12 0.33 0.58 0.24 0.02 0.00 0.00 177.57 178.86 3nnk h MET 255 N 0.60 1.25 -0.29 1.57 2.86 -1.03 -1.15 114.93 118.74 3nnk h MET 255 Ca 0.13 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3nnk h MET 255 Cb 0.44 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3nnk h MET 255 CO 0.02 0.85 -0.02 -0.44 1.06 0.00 0.00 176.91 178.38 3nnk h ASP 256 N 1.27 0.42 0.13 1.22 3.32 -1.19 -0.11 116.42 121.48 3nnk h ASP 256 Ca 0.34 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3nnk h ASP 256 Cb -0.09 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3nnk h ASP 256 CO -0.07 0.50 -0.06 0.22 -1.72 0.00 0.00 179.24 178.11 3nnk h TYR 257 N 0.43 -0.17 0.00 4.55 3.20 -0.55 -2.20 116.97 122.23 3nnk h TYR 257 Ca 0.09 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3nnk h TYR 257 Cb 0.32 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3nnk h TYR 257 CO 0.01 0.29 -0.19 -1.49 -1.64 0.00 0.00 178.16 175.14 3nnk h TRP 258 N -0.73 0.00 -3.97 -3.82 4.06 -1.23 -3.35 115.95 106.91 3nnk h TRP 258 Ca -0.02 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.49 3nnk h TRP 258 Cb 0.53 0.00 0.16 0.00 -1.00 0.00 0.00 29.16 28.85 3nnk h TRP 258 CO 0.08 0.19 0.42 0.20 -3.56 0.00 0.00 178.44 175.77 3nnk s GLY 259 N -4.27 1.79 0.57 1.49 0.00 -0.06 -4.92 107.32 101.92 3nnk s GLY 259 Ca 0.01 -1.23 0.27 0.00 0.00 0.00 0.00 44.72 43.77 3nnk s GLY 259 CO 0.62 -0.46 2.06 -0.56 0.00 0.00 0.00 173.10 174.77 3nnk h PRO 260 N -1.64 0.00 0.00 2.90 0.13 -1.87 -1.52 132.00 130.00 3nnk h PRO 260 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 3nnk h PRO 260 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3nnk h PRO 260 CO 0.37 0.00 -0.28 0.93 -0.23 0.00 0.00 178.00 178.79 3nnk h GLU 261 N 0.00 0.00 -6.26 0.86 3.07 -1.90 -3.47 114.58 106.88 3nnk h GLU 261 Ca 0.12 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.51 3nnk h GLU 261 Cb 0.62 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 3nnk h GLU 261 CO -0.00 0.28 -0.75 0.54 -1.40 0.00 0.00 179.01 177.68 3nnk n ARG 262 N -3.51 -5.81 -1.88 2.33 5.12 -0.57 -4.89 116.66 107.44 3nnk n ARG 262 Ca -0.00 0.62 -0.42 0.00 -1.93 0.00 0.00 57.85 56.12 3nnk n ARG 262 Cb 0.44 -5.54 -0.03 0.00 -1.16 0.00 0.00 32.46 26.17 3nnk n ARG 262 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3nnk s LEU 263 N -7.30 4.37 -1.10 0.55 1.98 -0.87 -4.86 118.68 111.45 3nnk s LEU 263 Ca 0.66 2.54 -0.19 0.00 -2.89 0.00 0.00 54.13 54.25 3nnk s LEU 263 Cb -0.33 -3.56 -0.06 0.00 0.66 0.00 0.00 46.19 42.90 3nnk s LEU 263 CO 0.82 -0.91 1.99 -3.20 -1.89 0.00 0.00 176.35 173.15 3nnk n ASN 264 N 5.65 3.31 0.00 3.68 2.85 -1.26 -3.84 115.26 125.64 3nnk n ASN 264 Ca 0.16 -2.76 -0.17 0.00 -0.11 0.00 0.00 54.58 51.70 3nnk n ASN 264 Cb 0.40 -1.46 -0.12 0.00 1.24 0.00 0.00 39.78 39.84 3nnk n ASN 264 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3nnk h HIS 265 N 7.64 0.43 -3.53 1.20 -0.00 -1.89 -3.48 115.15 115.51 3nnk h HIS 265 Ca 0.43 -0.26 -0.04 0.00 -0.00 0.00 0.00 60.37 60.50 3nnk h HIS 265 Cb 0.73 -0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 28.02 3nnk h HIS 265 CO 1.32 1.12 -0.06 -3.38 -0.00 0.00 0.00 177.93 176.93 3nnk s HIS 266 N -2.85 0.23 -0.42 5.26 -3.43 -1.26 -5.04 115.29 107.78 3nnk s HIS 266 Ca -0.15 -0.61 -0.22 0.00 -0.80 0.00 0.00 55.06 53.28 3nnk s HIS 266 Cb 0.01 0.28 0.02 0.00 -1.43 0.00 0.00 32.58 31.46 3nnk s HIS 266 CO 0.79 -1.01 0.74 0.99 -2.00 0.00 0.00 174.74 174.25 3nnk s THR 267 N -3.99 4.72 0.26 -5.38 2.01 -1.26 -5.02 115.64 106.98 3nnk s THR 267 Ca 0.19 0.46 -0.31 0.00 0.31 0.00 0.00 61.69 62.34 3nnk s THR 267 Cb -0.01 -4.25 -0.13 0.00 0.01 0.00 0.00 72.50 68.12 3nnk s THR 267 CO 0.07 -0.61 1.49 1.21 -0.69 0.00 0.00 174.62 176.10 3nnk n GLU 268 N 6.51 2.31 -1.75 4.92 4.07 -1.26 -4.85 120.64 130.59 3nnk n GLU 268 Ca 0.01 0.82 -0.37 0.00 -0.06 0.00 0.00 57.16 57.56 3nnk n GLU 268 Cb 0.48 -2.54 -0.03 0.00 -0.06 0.00 0.00 31.44 29.30 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 0.03 1.88 0.09 4.31 0.00 -1.26 -4.85 121.76 121.95 3nnk s ALA 269 Ca 0.67 -0.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.16 3nnk s ALA 269 Cb -0.59 -4.32 -0.15 0.00 0.00 0.00 0.00 23.12 18.06 3nnk s ALA 269 CO 0.48 -4.18 1.70 1.15 0.00 0.00 0.00 175.76 174.91 3nnk h THR 270 N 7.36 0.74 -0.24 0.00 2.02 -1.97 -0.66 112.91 120.16 3nnk h THR 270 Ca -0.25 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3nnk h THR 270 Cb 1.23 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3nnk h THR 270 CO 1.17 0.00 0.03 0.74 0.37 0.00 0.00 175.52 177.84 3nnk h THR 271 N -0.32 1.23 -0.24 3.16 2.02 -1.90 -2.77 112.91 114.09 3nnk h THR 271 Ca -0.02 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 3nnk h THR 271 Cb 0.26 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3nnk h THR 271 CO 0.03 0.25 -0.03 0.00 0.37 0.00 0.00 175.52 176.14 3nnk h ALA 272 N 0.84 1.50 -0.71 6.16 0.00 -1.93 -1.98 119.26 123.14 3nnk h ALA 272 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3nnk h ALA 272 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3nnk h ALA 272 CO 0.01 0.36 0.32 1.25 0.00 0.00 0.00 179.25 181.19 3nnk h LEU 273 N 0.35 0.95 -0.77 0.00 6.46 -0.95 -0.35 115.31 121.00 3nnk h LEU 273 Ca 0.08 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 3nnk h LEU 273 Cb 0.29 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3nnk h LEU 273 CO 0.01 0.83 0.46 -0.26 -0.62 0.00 0.00 178.44 178.87 3nnk h PHE 274 N 1.01 1.02 0.23 1.25 0.04 -1.12 0.87 116.94 120.24 3nnk h PHE 274 Ca 0.24 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3nnk h PHE 274 Cb 0.15 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3nnk h PHE 274 CO 0.01 0.69 -0.24 0.78 -0.60 0.00 0.00 178.31 178.95 3nnk h GLY 275 N 1.06 -0.52 1.42 -1.45 0.00 -0.95 -2.49 103.07 100.13 3nnk h GLY 275 Ca 0.28 0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.82 3nnk h GLY 275 CO -0.05 -0.22 0.03 0.00 0.00 0.00 0.00 176.54 176.30 3nnk h ALA 276 N 0.18 1.21 -0.44 3.60 0.00 -0.85 -2.54 119.26 120.41 3nnk h ALA 276 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3nnk h ALA 276 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3nnk h ALA 276 CO -0.06 0.53 0.25 -0.09 0.00 0.00 0.00 179.25 179.88 3nnk h ARG 277 N 0.68 0.60 -0.03 0.00 2.43 -0.75 -3.03 114.38 114.29 3nnk h ARG 277 Ca 0.14 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3nnk h ARG 277 Cb 0.38 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3nnk h ARG 277 CO 0.01 0.46 0.01 0.93 -1.51 0.00 0.00 179.97 179.87 3nnk h GLU 278 N 0.58 0.06 -0.48 0.20 4.39 -1.24 -1.80 114.58 116.27 3nnk h GLU 278 Ca 0.16 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.93 3nnk h GLU 278 Cb 0.03 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.57 3nnk h GLU 278 CO -0.03 0.29 -0.36 0.00 -1.16 0.00 0.00 179.01 177.75 3nnk h ALA 280 N 0.75 0.48 -0.80 0.00 0.00 -1.58 -1.68 119.26 116.42 3nnk h ALA 280 Ca 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3nnk h ALA 280 Cb 0.56 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3nnk h ALA 280 CO -0.61 0.01 0.52 -0.09 0.00 0.00 0.00 179.25 179.09 3nnk h ARG 281 N 0.47 1.01 -0.47 0.00 2.43 -0.23 -0.53 114.38 117.05 3nnk h ARG 281 Ca 0.13 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3nnk h ARG 281 Cb 0.08 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3nnk h ARG 281 CO -0.02 0.67 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.85 3nnk h LEU 282 N 1.04 0.99 -0.98 3.80 3.38 0.01 -1.89 115.31 121.66 3nnk h LEU 282 Ca 0.31 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3nnk h LEU 282 Cb -0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 3nnk h LEU 282 CO -0.09 1.15 0.34 0.40 0.09 0.00 0.00 178.44 180.34 3nnk h ILE 283 N 0.82 1.24 0.00 1.22 2.04 -0.64 -2.08 117.51 120.10 3nnk h ILE 283 Ca 0.11 -0.69 -0.14 0.00 1.00 0.00 0.00 64.86 65.14 3nnk h ILE 283 Cb 0.76 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3nnk h ILE 283 CO 0.06 0.29 -0.69 -0.07 0.00 0.00 0.00 178.15 177.74 3nnk h LEU 284 N 1.06 0.00 -0.65 1.44 3.38 -1.08 -1.14 115.31 118.32 3nnk h LEU 284 Ca 0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 3nnk h LEU 284 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3nnk h LEU 284 CO -0.03 0.69 0.18 1.56 0.09 0.00 0.00 178.44 180.92 3nnk h GLN 285 N 0.00 1.04 -0.29 1.13 4.20 -1.09 -2.95 115.11 117.15 3nnk h GLN 285 Ca -0.01 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.35 3nnk h GLN 285 Cb 1.51 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 3nnk h GLN 285 CO 0.09 0.92 -0.26 1.49 -0.67 0.00 0.00 178.83 180.40 3nnk h GLU 286 N 0.96 0.70 0.00 1.46 4.81 -1.36 -3.50 114.58 117.66 3nnk h GLU 286 Ca 0.21 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3nnk h GLU 286 Cb 0.34 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3nnk h GLU 286 CO -0.00 0.97 0.00 0.41 -0.73 0.00 0.00 179.01 179.66 3nnk n GLY 287 N 0.13 1.97 0.24 1.92 0.00 -0.43 -4.73 105.19 104.29 3nnk n GLY 287 Ca -0.04 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 3nnk n GLY 287 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nnk h LEU 288 N 0.00 0.43 -0.89 0.99 5.85 -1.83 0.43 115.31 120.28 3nnk h LEU 288 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3nnk h LEU 288 Cb 0.00 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3nnk h LEU 288 CO 0.00 0.27 0.55 0.44 -0.34 0.00 0.00 178.44 179.36 3nnk h ASP 289 N 0.57 1.06 -0.61 1.25 3.45 -1.93 -0.56 116.42 119.64 3nnk h ASP 289 Ca 0.30 -0.05 -0.07 0.00 0.43 0.00 0.00 57.03 57.63 3nnk h ASP 289 Cb 0.25 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.73 3nnk h ASP 289 CO -0.22 0.80 0.13 1.88 -1.57 0.00 0.00 179.24 180.26 3nnk h TYR 290 N 1.22 1.07 -0.37 4.55 0.05 -1.59 0.16 116.97 122.06 3nnk h TYR 290 Ca 0.32 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 3nnk h TYR 290 Cb -0.08 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.34 3nnk h TYR 290 CO -0.00 0.89 0.21 0.78 -1.05 0.00 0.00 178.16 178.99 3nnk h GLY 291 N 1.05 0.55 0.96 3.88 0.00 -0.37 0.10 103.07 109.24 3nnk h GLY 291 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3nnk h GLY 291 CO 0.01 0.24 0.20 -2.22 0.00 0.00 0.00 176.54 174.76 3nnk h ILE 292 N 0.48 1.20 -0.39 2.60 2.04 -0.94 -2.49 117.51 120.01 3nnk h ILE 292 Ca 0.13 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3nnk h ILE 292 Cb 0.04 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3nnk h ILE 292 CO -0.02 0.23 0.08 0.00 0.00 0.00 0.00 178.15 178.44 3nnk h ALA 293 N 1.04 1.41 -0.12 1.87 0.00 -0.36 -1.98 119.26 121.12 3nnk h ALA 293 Ca 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3nnk h ALA 293 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3nnk h ALA 293 CO -0.01 0.43 -0.04 -0.09 0.00 0.00 0.00 179.25 179.53 3nnk h ARG 294 N 0.57 0.24 -0.83 0.00 2.43 -0.70 -2.46 114.38 113.62 3nnk h ARG 294 Ca 0.13 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3nnk h ARG 294 Cb 0.24 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3nnk h ARG 294 CO -0.00 0.56 0.52 0.45 -1.51 0.00 0.00 179.97 179.99 3nnk h HIS 295 N -0.09 0.96 -0.64 2.20 3.86 -1.20 -2.25 115.15 117.99 3nnk h HIS 295 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3nnk h HIS 295 Cb 0.48 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 3nnk h HIS 295 CO 0.06 0.50 0.36 -0.22 0.86 0.00 0.00 177.93 179.48 3nnk h LYS 296 N 0.95 0.88 -0.02 2.45 3.64 -1.35 -0.05 116.57 123.08 3nnk h LYS 296 Ca 0.36 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3nnk h LYS 296 Cb 0.14 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3nnk h LYS 296 CO -0.16 0.66 -0.05 1.25 -2.27 0.00 0.00 179.45 178.88 3nnk h LEU 297 N 0.87 -0.14 -0.20 5.20 5.85 -0.92 0.12 115.31 126.09 3nnk h LEU 297 Ca 0.22 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 3nnk h LEU 297 Cb 0.03 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3nnk h LEU 297 CO -0.04 -0.07 -0.78 0.45 -0.34 0.00 0.00 178.44 177.66 3nnk h HIS 298 N -0.07 0.00 0.06 1.25 3.86 -1.46 -0.80 115.15 117.99 3nnk h HIS 298 Ca 0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3nnk h HIS 298 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3nnk h HIS 298 CO -0.13 0.78 -0.03 0.78 0.86 0.00 0.00 177.93 180.19 3nnk h GLY 299 N 2.84 -0.09 1.49 2.45 0.00 -0.86 -1.05 103.07 107.86 3nnk h GLY 299 Ca -0.01 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3nnk h GLY 299 CO 0.10 -0.03 -0.00 -0.55 0.00 0.00 0.00 176.54 176.06 3nnk h ASP 300 N -0.21 0.59 -0.53 0.19 3.32 -0.73 -2.36 116.42 116.69 3nnk h ASP 300 Ca -0.01 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 3nnk h ASP 300 Cb 0.18 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3nnk h ASP 300 CO 0.01 0.67 0.03 0.00 -1.72 0.00 0.00 179.24 178.23 3nnk h ALA 301 N 1.41 0.71 -0.04 3.45 0.00 -1.06 -2.08 119.26 121.65 3nnk h ALA 301 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3nnk h ALA 301 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3nnk h ALA 301 CO 0.01 0.51 0.01 1.25 0.00 0.00 0.00 179.25 181.04 3nnk h LEU 302 N 0.80 0.06 -1.15 0.00 5.85 -1.00 -2.67 115.31 117.20 3nnk h LEU 302 Ca 0.15 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3nnk h LEU 302 Cb 0.49 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3nnk h LEU 302 CO 0.02 0.23 0.47 1.62 -0.34 0.00 0.00 178.44 180.44 3nnk h VAL 303 N -0.12 1.21 -0.67 1.05 3.04 -1.41 -1.63 116.25 117.73 3nnk h VAL 303 Ca 0.01 -0.47 -0.05 0.00 -1.01 0.00 0.00 66.70 65.18 3nnk h VAL 303 Cb 0.19 0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 29.57 3nnk h VAL 303 CO -0.00 0.22 0.20 0.11 -1.01 0.00 0.00 177.57 177.10 3nnk h LYS 304 N 1.06 1.03 -0.06 4.17 1.57 -1.30 -1.72 116.57 121.31 3nnk h LYS 304 Ca 0.28 -0.21 -0.19 0.00 -1.87 0.00 0.00 60.65 58.66 3nnk h LYS 304 Cb -0.05 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 3nnk h LYS 304 CO -0.05 0.88 -0.75 0.78 -0.57 0.00 0.00 179.45 179.74 3nnk h GLY 305 N 1.06 0.42 0.89 3.86 0.00 -1.11 -2.74 103.07 105.46 3nnk h GLY 305 Ca 0.22 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3nnk h GLY 305 CO -0.01 0.55 0.03 -2.22 0.00 0.00 0.00 176.54 174.89 3nnk h ILE 306 N 0.25 1.24 -0.66 2.60 1.08 -1.18 -2.06 117.51 118.80 3nnk h ILE 306 Ca -0.04 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 3nnk h ILE 306 Cb 1.34 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.27 3nnk h ILE 306 CO 0.13 0.28 0.38 1.56 -0.69 0.00 0.00 178.15 179.81 3nnk h GLN 307 N 0.33 0.90 0.00 2.37 4.20 -1.34 -2.26 115.11 119.31 3nnk h GLN 307 Ca 0.09 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3nnk h GLN 307 Cb 0.38 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3nnk h GLN 307 CO 0.01 0.66 0.00 0.00 -0.67 0.00 0.00 178.83 178.83 3nnk h ALA 308 N 1.19 1.00 -0.00 3.87 0.00 -1.46 -2.02 119.26 121.84 3nnk h ALA 308 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3nnk h ALA 308 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3nnk h ALA 308 CO -0.04 0.00 -0.04 -0.12 0.00 0.00 0.00 179.25 179.04 3nnk n MET 309 N -2.31 0.72 -0.70 0.00 0.00 -0.78 -4.13 117.12 109.92 3nnk n MET 309 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.59 3nnk n MET 309 Cb 0.32 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.04 3nnk n MET 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3nnk n GLY 310 N 1.22 0.63 3.80 -5.12 0.00 -0.76 -4.80 105.19 100.16 3nnk n GLY 310 Ca 0.17 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3nnk n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nnk s LEU 311 N 0.00 4.37 0.61 0.99 1.43 -1.01 -5.04 118.68 120.03 3nnk s LEU 311 Ca 0.00 0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 3nnk s LEU 311 Cb 0.00 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 3nnk s LEU 311 CO 0.00 0.24 1.04 -1.83 0.23 0.00 0.00 176.35 176.03 3nnk s GLU 312 N -0.45 3.39 0.10 1.70 4.04 -1.26 -4.17 118.70 122.06 3nnk s GLU 312 Ca 0.20 0.98 0.09 0.00 0.04 0.00 0.00 54.97 56.28 3nnk s GLU 312 Cb -0.14 -2.05 -0.04 0.00 0.02 0.00 0.00 34.13 31.92 3nnk s GLU 312 CO 0.08 -0.74 -0.18 0.95 -1.84 0.00 0.00 175.26 173.54 3nnk s THR 313 N -2.82 2.87 0.08 1.83 -4.23 -1.26 -1.50 115.64 110.60 3nnk s THR 313 Ca 0.59 -1.44 -0.18 0.00 -1.18 0.00 0.00 61.69 59.49 3nnk s THR 313 Cb -0.13 -2.30 -0.07 0.00 1.34 0.00 0.00 72.50 71.34 3nnk s THR 313 CO 0.45 0.14 0.54 0.12 -0.54 0.00 0.00 174.62 175.33 3nnk s PHE 314 N -1.11 3.75 0.00 3.99 5.36 -0.36 -4.84 117.98 124.78 3nnk s PHE 314 Ca 0.18 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 3nnk s PHE 314 Cb -0.11 -2.44 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 3nnk s PHE 314 CO 0.10 0.56 0.00 0.41 -1.46 0.00 0.00 175.22 174.83 3nnk n GLY 315 N 1.53 -2.54 3.45 13.12 0.00 -1.26 -4.62 105.19 114.86 3nnk n GLY 315 Ca -0.10 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.61 6.18 0.43 1.61 2.15 -1.15 -4.91 116.67 118.38 3nnk s ASP 316 Ca 0.00 -1.02 0.28 0.00 0.43 0.00 0.00 52.55 52.24 3nnk s ASP 316 Cb 0.00 -2.41 1.51 0.00 -0.30 0.00 0.00 42.92 41.72 3nnk s ASP 316 CO 0.00 -1.40 1.84 -0.07 -0.17 0.00 0.00 175.17 175.37 3nnk h LEU 317 N 11.18 0.00 -1.33 -1.34 3.38 -1.93 -1.33 115.31 123.93 3nnk h LEU 317 Ca -0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3nnk h LEU 317 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3nnk h LEU 317 CO 1.17 0.00 -0.28 0.11 0.09 0.00 0.00 178.44 179.53 3nnk h LYS 318 N 0.00 0.00 0.00 1.13 1.57 -2.00 -3.21 116.57 114.06 3nnk h LYS 318 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3nnk h LYS 318 Cb 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3nnk h LYS 318 CO 0.00 0.28 -0.56 0.72 -0.57 0.00 0.00 179.45 179.32 3nnk n HIS 319 N -3.69 0.00 -2.48 -1.35 8.25 -0.51 -5.06 115.22 110.38 3nnk n HIS 319 Ca -0.01 -1.35 -0.41 0.00 -0.26 0.00 0.00 57.72 55.69 3nnk n HIS 319 Cb 0.39 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 3nnk n HIS 319 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3nnk s LYS 320 N -2.79 4.61 0.39 -0.41 2.20 -1.20 0.73 119.74 123.27 3nnk s LYS 320 Ca 0.37 1.78 -0.26 0.00 -0.36 0.00 0.00 55.97 57.49 3nnk s LYS 320 Cb 0.37 -3.23 -0.11 0.00 -1.51 0.00 0.00 37.83 33.35 3nnk s LYS 320 CO -0.08 0.13 1.27 -1.33 -0.36 0.00 0.00 175.35 174.98 3nnk n MET 321 N 1.79 1.98 -0.04 4.03 2.81 -0.40 -4.71 117.12 122.59 3nnk n MET 321 Ca 0.01 0.70 0.11 0.00 -1.81 0.00 0.00 57.70 56.71 3nnk n MET 321 Cb 0.45 -2.34 0.52 0.00 -0.71 0.00 0.00 33.22 31.14 3nnk n MET 321 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3nnk h ASN 322 N 2.25 0.32 -0.28 7.83 2.35 -1.91 -3.29 115.58 122.85 3nnk h ASN 322 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3nnk h ASN 322 Cb 1.29 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3nnk h ASN 322 CO 0.61 0.20 0.00 -0.46 -1.65 0.00 0.00 177.43 176.13 3nnk n ASN 323 N -4.47 2.80 -3.94 5.81 6.94 -1.26 -4.06 115.26 117.07 3nnk n ASN 323 Ca 0.08 -1.84 -0.10 0.00 -0.02 0.00 0.00 54.58 52.70 3nnk n ASN 323 Cb 0.33 -0.18 -0.12 0.00 -2.36 0.00 0.00 39.78 37.45 3nnk n ASN 323 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3nnk s VAL 324 N -1.07 0.08 -0.06 3.53 1.01 -1.24 -0.86 120.40 121.79 3nnk s VAL 324 Ca 0.24 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3nnk s VAL 324 Cb 0.14 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.34 3nnk s VAL 324 CO 0.19 -0.36 -0.05 -0.22 0.00 0.00 0.00 175.10 174.67 3nnk s LEU 325 N -1.05 1.21 -0.24 3.92 0.20 0.48 -4.59 118.68 118.61 3nnk s LEU 325 Ca -0.11 -0.16 -0.22 0.00 0.69 0.00 0.00 54.13 54.32 3nnk s LEU 325 Cb -0.07 -0.53 -0.01 0.00 -0.43 0.00 0.00 46.19 45.15 3nnk s LEU 325 CO -0.01 -0.08 0.72 -0.83 -0.29 0.00 0.00 176.35 175.87 3nnk s GLY 326 N 1.16 1.82 -0.17 7.98 0.00 -1.26 -1.43 107.32 115.42 3nnk s GLY 326 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.38 3nnk s GLY 326 CO -0.01 1.60 -0.17 0.14 0.00 0.00 0.00 173.10 174.66 3nnk s VAL 327 N 2.58 2.42 0.05 1.40 1.01 0.48 -1.22 120.40 127.11 3nnk s VAL 327 Ca 0.31 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3nnk s VAL 327 Cb -0.15 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3nnk s VAL 327 CO 0.08 0.52 1.09 -0.69 0.00 0.00 0.00 175.10 176.10 3nnk s VAL 328 N 1.14 4.38 -0.14 2.92 1.01 -0.56 0.36 120.40 129.50 3nnk s VAL 328 Ca 0.01 1.74 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 3nnk s VAL 328 Cb -0.14 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 3nnk s VAL 328 CO -0.07 0.15 1.12 -0.63 0.00 0.00 0.00 175.10 175.68 3nnk s ILE 329 N 0.91 4.51 0.36 2.22 1.01 0.74 -4.48 121.20 126.48 3nnk s ILE 329 Ca 0.55 1.81 -0.27 0.00 0.00 0.00 0.00 60.65 62.74 3nnk s ILE 329 Cb -0.26 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 3nnk s ILE 329 CO 0.29 -0.08 1.20 -2.84 0.00 0.00 0.00 174.94 173.51 3nnk s PRO 330 N 2.70 4.22 -0.12 2.79 0.02 -1.26 -4.88 135.00 138.47 3nnk s PRO 330 Ca 0.50 1.94 -0.25 0.00 0.02 0.00 0.00 61.00 63.21 3nnk s PRO 330 Cb -0.20 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 3nnk s PRO 330 CO 0.15 -0.21 0.81 1.14 -0.33 0.00 0.00 177.00 178.57 3nnk s GLN 331 N -2.03 4.37 -0.41 5.54 0.00 -1.26 0.39 119.66 126.26 3nnk s GLN 331 Ca 0.53 1.03 0.01 0.00 -0.00 0.00 0.00 55.36 56.93 3nnk s GLN 331 Cb -0.33 -3.52 0.11 0.00 0.00 0.00 0.00 33.01 29.27 3nnk s GLN 331 CO 0.43 -0.17 0.16 0.20 0.00 0.00 0.00 175.29 175.91 3nnk s GLY 332 N 1.03 2.07 -0.12 2.60 0.00 -1.26 -5.17 107.32 106.46 3nnk s GLY 332 Ca 0.40 -2.69 -0.00 0.00 0.00 0.00 0.00 44.72 42.43 3nnk s GLY 332 CO 0.16 0.99 -0.12 -0.42 0.00 0.00 0.00 173.10 173.71 3nnk s ILE 333 N 0.76 3.14 -0.31 0.90 -1.09 0.16 -5.08 121.20 119.67 3nnk s ILE 333 Ca 0.11 -0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 57.61 3nnk s ILE 333 Cb -0.21 -2.31 -0.00 0.00 -1.58 0.00 0.00 42.46 38.35 3nnk s ILE 333 CO -0.05 0.53 1.40 0.21 -1.23 0.00 0.00 174.94 175.79 3nnk s ASN 334 N 0.23 6.52 0.20 3.58 3.84 -1.26 -4.80 114.94 123.25 3nnk s ASN 334 Ca -0.08 1.19 -0.10 0.00 0.21 0.00 0.00 52.86 54.08 3nnk s ASN 334 Cb -0.15 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.14 3nnk s ASN 334 CO 0.05 -1.21 1.78 1.23 -2.79 0.00 0.00 177.10 176.16 3nnk h GLY 335 N 11.42 1.10 1.65 1.21 0.00 -1.96 -2.44 103.07 114.05 3nnk h GLY 335 Ca -0.28 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 3nnk h GLY 335 CO 1.04 0.53 -0.19 1.29 0.00 0.00 0.00 176.54 179.21 3nnk h ASP 336 N 1.00 0.41 -0.20 0.19 3.04 -1.94 -1.91 116.42 117.00 3nnk h ASP 336 Ca 0.24 -0.12 -0.07 0.00 -3.24 0.00 0.00 57.03 53.85 3nnk h ASP 336 Cb 0.13 -0.11 -0.00 0.00 -1.04 0.00 0.00 39.33 38.30 3nnk h ASP 336 CO -0.03 0.62 -0.13 -0.61 -2.04 0.00 0.00 179.24 177.05 3nnk h GLN 337 N 0.38 0.44 -1.00 4.15 4.15 -1.91 -0.57 115.11 120.75 3nnk h GLN 337 Ca 0.07 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.31 3nnk h GLN 337 Cb 0.55 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 3nnk h GLN 337 CO 0.04 0.75 0.66 0.00 -1.93 0.00 0.00 178.83 178.35 3nnk h ALA 338 N 0.68 1.31 -0.73 3.38 0.00 -1.37 -1.33 119.26 121.20 3nnk h ALA 338 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3nnk h ALA 338 Cb 0.64 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3nnk h ALA 338 CO 0.04 0.60 0.27 0.00 0.00 0.00 0.00 179.25 180.15 3nnk h ARG 339 N 1.31 1.10 -0.31 0.00 3.08 -1.21 -2.13 114.38 116.22 3nnk h ARG 339 Ca 0.39 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 3nnk h ARG 339 Cb -0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3nnk h ARG 339 CO -0.11 0.91 0.09 -0.22 -1.07 0.00 0.00 179.97 179.57 3nnk h LYS 340 N 1.07 0.48 -0.12 0.04 3.64 -0.42 -2.89 116.57 118.36 3nnk h LYS 340 Ca 0.24 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 3nnk h LYS 340 Cb 0.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3nnk h LYS 340 CO -0.02 0.54 -0.62 -0.07 -2.27 0.00 0.00 179.45 177.01 3nnk h LEU 341 N 0.34 0.50 -1.30 5.20 3.38 -1.19 0.12 115.31 122.36 3nnk h LEU 341 Ca 0.10 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3nnk h LEU 341 Cb 0.26 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3nnk h LEU 341 CO -0.00 1.00 0.14 0.24 0.09 0.00 0.00 178.44 179.90 3nnk h MET 342 N 0.32 0.62 0.00 1.13 2.86 -1.42 -1.50 114.93 116.94 3nnk h MET 342 Ca -0.01 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 3nnk h MET 342 Cb 1.16 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3nnk h MET 342 CO 0.11 0.54 -0.48 1.25 1.06 0.00 0.00 176.91 179.39 3nnk h LEU 343 N 0.61 0.00 -0.68 1.22 5.85 -1.21 0.51 115.31 121.60 3nnk h LEU 343 Ca 0.14 -0.50 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 3nnk h LEU 343 Cb 0.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3nnk h LEU 343 CO -0.01 1.02 -0.64 -0.33 -0.34 0.00 0.00 178.44 178.14 3nnk h GLU 344 N -1.00 0.08 0.00 1.25 5.08 -0.85 -2.35 114.58 116.80 3nnk h GLU 344 Ca -0.11 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 3nnk h GLU 344 Cb 0.83 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3nnk h GLU 344 CO -0.07 0.69 -1.85 -0.25 -1.00 0.00 0.00 179.01 176.54 3nnk n ASP 345 N -3.80 1.58 -0.02 1.42 8.00 -0.57 -4.66 116.55 118.49 3nnk n ASP 345 Ca -0.02 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.51 3nnk n ASP 345 Cb 0.64 1.17 -0.03 0.00 -0.02 0.00 0.00 41.12 42.88 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 -2.32 0.00 -2.40 1.24 3.72 -1.13 -5.01 117.46 111.57 3nnk n PHE 346 Ca -0.15 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.08 3nnk n PHE 346 Cb 0.73 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 1.07 -0.35 3.30 1.37 0.00 -0.88 -4.92 105.19 104.78 3nnk n GLY 347 Ca 0.01 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.90 2.43 -0.37 -0.61 1.01 0.12 -0.41 121.20 120.47 3nnk s ILE 348 Ca 0.03 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 3nnk s ILE 348 Cb -0.01 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.55 3nnk s ILE 348 CO 0.04 0.56 0.19 -0.70 0.00 0.00 0.00 174.94 175.02 3nnk s GLU 349 N 0.05 2.77 0.15 2.79 2.12 0.32 -2.42 118.70 124.49 3nnk s GLU 349 Ca -0.08 -1.11 0.03 0.00 0.36 0.00 0.00 54.97 54.17 3nnk s GLU 349 Cb -0.15 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 3nnk s GLU 349 CO 0.05 -0.70 0.27 0.96 -0.54 0.00 0.00 175.26 175.31 3nnk s ILE 350 N 1.52 5.24 0.01 -3.70 -4.36 -1.26 -0.16 121.20 118.49 3nnk s ILE 350 Ca 0.01 -0.74 -0.08 0.00 -0.26 0.00 0.00 60.65 59.58 3nnk s ILE 350 Cb -0.19 -3.70 -0.05 0.00 1.25 0.00 0.00 42.46 39.77 3nnk s ILE 350 CO 0.06 -0.10 0.30 -0.83 0.24 0.00 0.00 174.94 174.60 3nnk s GLY 351 N -3.25 2.28 0.89 6.27 0.00 -0.17 -4.83 107.32 108.51 3nnk s GLY 351 Ca 0.34 -0.51 -0.13 0.00 0.00 0.00 0.00 44.72 44.43 3nnk s GLY 351 CO 0.28 -0.29 1.24 -1.08 0.00 0.00 0.00 173.10 173.24 3nnk s THR 352 N -1.28 2.04 0.05 0.90 -1.32 -1.26 -0.07 115.64 114.70 3nnk s THR 352 Ca 0.27 -0.12 0.05 0.00 -1.21 0.00 0.00 61.69 60.69 3nnk s THR 352 Cb -0.14 -2.92 -0.04 0.00 -1.51 0.00 0.00 72.50 67.90 3nnk s THR 352 CO 0.15 0.00 -0.06 -0.44 -2.21 0.00 0.00 174.62 172.07 3nnk s SER 353 N -4.82 4.68 -0.23 8.08 0.01 -1.21 -4.46 113.70 115.76 3nnk s SER 353 Ca 0.71 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.72 3nnk s SER 353 Cb -0.05 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.14 3nnk s SER 353 CO 0.51 0.23 -0.07 -0.36 0.41 0.00 0.00 173.24 173.96 3nnk s PHE 354 N -1.14 2.97 0.00 2.43 0.08 -1.26 -3.80 117.98 117.26 3nnk s PHE 354 Ca 0.21 -1.21 0.00 0.00 0.12 0.00 0.00 56.93 56.05 3nnk s PHE 354 Cb -0.11 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 3nnk s PHE 354 CO 0.12 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 175.01 3nnk n GLY 355 N 4.74 0.28 0.00 4.36 0.00 -1.26 -4.66 105.19 108.65 3nnk n GLY 355 Ca -0.18 -1.74 0.03 0.00 0.00 0.00 0.00 46.02 44.13 3nnk n GLY 355 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 356 N 0.00 0.17 -0.01 1.61 -0.04 -1.26 -1.86 135.00 133.61 3nnk n PRO 356 Ca 0.00 0.02 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 3nnk n PRO 356 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 3nnk n PRO 356 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3nnk n LEU 357 N -1.03 1.34 -4.71 1.53 4.77 -1.26 -4.98 117.00 112.67 3nnk n LEU 357 Ca 0.04 -1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 54.45 3nnk n LEU 357 Cb 0.02 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3nnk n LEU 357 CO 0.03 0.32 1.25 -2.28 -1.33 0.00 0.00 177.39 175.38 3nnk s HIS 358 N -0.32 2.83 0.00 -1.77 2.46 -0.78 -1.61 115.29 116.10 3nnk s HIS 358 Ca 0.03 0.53 0.00 0.00 0.47 0.00 0.00 55.06 56.09 3nnk s HIS 358 Cb 0.02 -3.92 0.00 0.00 -0.13 0.00 0.00 32.58 28.55 3nnk s HIS 358 CO 0.03 -3.51 0.00 0.41 -2.47 0.00 0.00 174.74 169.20 3nnk n GLY 359 N 3.83 1.28 0.01 1.59 0.00 -1.26 -4.82 105.19 105.82 3nnk n GLY 359 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 2.63 -4.73 1.61 4.76 -0.67 -4.69 118.16 115.07 3nnk n LYS 360 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.20 3nnk n LYS 360 Cb 0.00 -1.04 -0.16 0.00 -1.84 0.00 0.00 35.03 31.99 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 -2.04 1.28 0.07 -0.18 1.01 -0.63 -0.18 120.40 119.72 3nnk s VAL 361 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3nnk s VAL 361 Cb 0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3nnk s VAL 361 CO 0.06 0.37 0.22 0.26 0.00 0.00 0.00 175.10 176.02 3nnk s TRP 362 N 0.08 3.52 -0.28 5.22 0.51 0.16 -3.30 118.94 124.85 3nnk s TRP 362 Ca -0.04 0.25 0.03 0.00 -2.12 0.00 0.00 56.10 54.22 3nnk s TRP 362 Cb -0.11 -1.76 0.07 0.00 -0.81 0.00 0.00 33.47 30.86 3nnk s TRP 362 CO 0.02 0.58 -0.07 1.03 -0.51 0.00 0.00 176.95 177.99 3nnk s ARG 363 N -2.58 2.05 -0.18 4.98 0.52 0.90 -0.39 118.95 124.25 3nnk s ARG 363 Ca 0.35 -1.44 -0.06 0.00 -0.52 0.00 0.00 55.73 54.06 3nnk s ARG 363 Cb -0.13 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 3nnk s ARG 363 CO 0.28 -0.65 0.02 0.42 0.02 0.00 0.00 175.30 175.40 3nnk s ILE 364 N 1.07 4.38 0.05 1.52 1.01 -0.52 -1.00 121.20 127.72 3nnk s ILE 364 Ca -0.05 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.48 3nnk s ILE 364 Cb -0.20 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3nnk s ILE 364 CO -0.06 0.46 -0.10 -0.83 0.00 0.00 0.00 174.94 174.41 3nnk s GLY 365 N 0.52 1.73 -0.59 6.18 0.00 0.53 -0.39 107.32 115.31 3nnk s GLY 365 Ca 0.01 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.63 3nnk s GLY 365 CO 0.02 -1.06 0.43 -0.51 0.00 0.00 0.00 173.10 171.97 3nnk s THR 366 N -1.07 1.99 -0.00 0.90 -4.23 -0.04 -4.55 115.64 108.63 3nnk s THR 366 Ca 0.18 -3.64 0.08 0.00 -1.18 0.00 0.00 61.69 57.13 3nnk s THR 366 Cb -0.11 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 3nnk s THR 366 CO 0.10 -1.07 -0.25 -0.04 -0.54 0.00 0.00 174.62 172.82 3nnk s MET 367 N -0.85 2.07 4.45 3.99 -1.94 -1.26 -4.43 119.30 121.32 3nnk s MET 367 Ca 0.27 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 3nnk s MET 367 Cb -0.03 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.75 3nnk s MET 367 CO -0.16 0.55 0.00 0.41 -0.01 0.00 0.00 175.02 175.81 3nnk n GLY 368 N 2.23 2.18 0.20 -0.03 0.00 -1.25 -1.13 105.19 107.39 3nnk n GLY 368 Ca -0.16 0.39 0.05 0.00 0.00 0.00 0.00 46.02 46.30 3nnk n GLY 368 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3nnk h TYR 369 N 0.00 0.00 -0.39 1.61 3.20 -1.83 -2.92 116.97 116.64 3nnk h TYR 369 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3nnk h TYR 369 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3nnk h TYR 369 CO 0.00 0.35 0.00 0.09 -1.64 0.00 0.00 178.16 176.96 3nnk n ASN 370 N -3.75 2.61 -3.63 -2.11 3.02 -0.28 -4.40 115.26 106.72 3nnk n ASN 370 Ca -0.01 -1.92 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 3nnk n ASN 370 Cb 0.44 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nnk n ALA 371 N 0.93 6.13 -2.28 5.41 0.00 -1.11 -4.40 120.51 125.20 3nnk n ALA 371 Ca 0.17 -3.90 -0.15 0.00 0.00 0.00 0.00 53.44 49.57 3nnk n ALA 371 Cb 0.44 -3.32 -0.10 0.00 0.00 0.00 0.00 19.45 16.47 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 2.01 1.15 0.21 0.00 0.52 -1.26 -4.83 118.95 116.75 3nnk s ARG 372 Ca 0.52 -1.53 -0.10 0.00 -0.52 0.00 0.00 55.73 54.11 3nnk s ARG 372 Cb 0.15 -0.63 0.15 0.00 0.52 0.00 0.00 34.95 35.14 3nnk s ARG 372 CO -0.06 0.02 1.84 -0.22 0.02 0.00 0.00 175.30 176.90 3nnk h LYS 373 N 2.68 1.05 -0.03 3.54 3.64 -1.98 -3.05 116.57 122.41 3nnk h LYS 373 Ca -0.37 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 3nnk h LYS 373 Cb 1.20 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3nnk h LYS 373 CO 0.64 0.75 -0.35 0.38 -2.27 0.00 0.00 179.45 178.60 3nnk h ASP 374 N 1.05 0.06 -0.29 4.20 2.03 -1.97 -1.60 116.42 119.90 3nnk h ASP 374 Ca 0.27 -0.02 -0.13 0.00 -0.73 0.00 0.00 57.03 56.42 3nnk h ASP 374 Cb -0.01 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.47 3nnk h ASP 374 CO -0.05 0.41 -0.31 0.00 -1.03 0.00 0.00 179.24 178.26 3nnk h VAL 376 N 0.48 1.13 -0.52 0.00 2.07 -1.47 -1.99 116.25 115.95 3nnk h VAL 376 Ca 0.04 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3nnk h VAL 376 Cb 0.89 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3nnk h VAL 376 CO 0.08 0.11 0.32 0.24 0.02 0.00 0.00 177.57 178.34 3nnk h MET 377 N 0.01 0.62 -0.11 1.57 2.07 -1.29 0.81 114.93 118.61 3nnk h MET 377 Ca 0.03 -0.04 -0.16 0.00 -2.07 0.00 0.00 59.70 57.46 3nnk h MET 377 Cb 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 3nnk h MET 377 CO -0.00 0.41 -0.61 1.15 1.07 0.00 0.00 176.91 178.93 3nnk h THR 378 N 0.64 1.36 -0.26 2.22 2.02 -1.32 -1.93 112.91 115.64 3nnk h THR 378 Ca 0.21 -1.94 -0.08 0.00 0.77 0.00 0.00 66.41 65.36 3nnk h THR 378 Cb -0.00 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3nnk h THR 378 CO -0.08 0.59 -0.15 0.74 0.37 0.00 0.00 175.52 176.98 3nnk h THR 379 N 0.30 1.30 -0.55 3.16 2.02 -1.10 -1.32 112.91 116.72 3nnk h THR 379 Ca -0.01 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 65.84 3nnk h THR 379 Cb 1.15 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 3nnk h THR 379 CO 0.11 0.39 0.04 -0.07 0.37 0.00 0.00 175.52 176.36 3nnk h LEU 380 N 0.30 0.86 -0.03 2.58 3.38 -0.81 -0.58 115.31 121.01 3nnk h LEU 380 Ca 0.06 -0.21 -0.21 0.00 0.09 0.00 0.00 57.88 57.61 3nnk h LEU 380 Cb 0.67 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 41.21 3nnk h LEU 380 CO 0.04 0.90 -0.80 0.77 0.09 0.00 0.00 178.44 179.45 3nnk h SER 381 N 0.84 0.75 -0.66 -0.43 4.64 -1.36 -2.89 113.55 114.44 3nnk h SER 381 Ca 0.17 -0.72 -0.07 0.00 -0.47 0.00 0.00 61.79 60.69 3nnk h SER 381 Cb 0.44 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3nnk h SER 381 CO 0.02 1.37 0.14 0.00 -0.87 0.00 0.00 176.83 177.49 3nnk h ALA 382 N 0.40 0.87 -0.01 5.18 0.00 -1.19 -1.64 119.26 122.87 3nnk h ALA 382 Ca -0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3nnk h ALA 382 Cb 1.47 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3nnk h ALA 382 CO 0.16 0.61 0.00 1.25 0.00 0.00 0.00 179.25 181.27 3nnk h LEU 383 N 1.00 0.01 -1.04 0.00 6.46 -1.17 -1.60 115.31 118.96 3nnk h LEU 383 Ca 0.21 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3nnk h LEU 383 Cb 0.39 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 3nnk h LEU 383 CO 0.01 0.07 0.35 -0.08 -0.62 0.00 0.00 178.44 178.16 3nnk h GLU 384 N -0.05 1.03 -0.71 1.25 4.81 -1.46 -1.29 114.58 118.15 3nnk h GLU 384 Ca 0.00 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3nnk h GLU 384 Cb 0.06 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3nnk h GLU 384 CO -0.00 0.79 0.32 0.00 -0.73 0.00 0.00 179.01 179.39 3nnk h ALA 385 N 1.36 0.92 -0.18 2.92 0.00 -1.08 -0.95 119.26 122.25 3nnk h ALA 385 Ca 0.25 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3nnk h ALA 385 Cb 0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3nnk h ALA 385 CO -0.03 0.51 -0.26 0.28 0.00 0.00 0.00 179.25 179.75 3nnk h VAL 386 N 1.01 1.34 -0.67 0.00 2.07 -1.00 -1.96 116.25 117.04 3nnk h VAL 386 Ca 0.24 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3nnk h VAL 386 Cb 0.16 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3nnk h VAL 386 CO -0.03 0.45 0.38 -0.07 0.02 0.00 0.00 177.57 178.32 3nnk h LEU 387 N 0.15 0.83 -0.81 2.57 3.38 -1.18 -0.29 115.31 119.97 3nnk h LEU 387 Ca 0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3nnk h LEU 387 Cb 0.84 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3nnk h LEU 387 CO 0.06 0.68 0.16 0.78 0.09 0.00 0.00 178.44 180.21 3nnk h ASN 388 N 0.92 1.00 0.47 -0.43 2.35 -1.18 0.90 115.58 119.60 3nnk h ASN 388 Ca 0.24 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3nnk h ASN 388 Cb 0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3nnk h ASN 388 CO -0.04 0.96 -0.35 0.22 -1.65 0.00 0.00 177.43 176.57 3nnk h TYR 389 N 1.01 0.00 -0.32 1.19 5.03 -1.05 -1.84 116.97 120.99 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 0.35 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.63 3nnk h TYR 389 CO 0.03 0.35 0.00 1.28 -1.32 0.00 0.00 178.16 178.50 3nnk n LEU 390 N -3.92 2.99 -2.98 2.82 4.32 -0.15 -4.93 117.00 115.15 3nnk n LEU 390 Ca -0.02 -1.51 -0.17 0.00 -0.02 0.00 0.00 56.01 54.30 3nnk n LEU 390 Cb 0.41 -0.49 0.07 0.00 -1.62 0.00 0.00 43.42 41.79 3nnk n LEU 390 CO 0.37 0.46 0.15 2.29 -1.22 0.00 0.00 177.39 179.45 3nnk n LYS 391 N 0.41 -5.95 -3.84 3.23 0.00 -0.69 -5.01 118.16 106.31 3nnk n LYS 391 Ca 0.14 0.67 -0.36 0.00 -0.00 0.00 0.00 58.31 58.76 3nnk n LYS 391 Cb 0.60 -5.22 -0.13 0.00 -0.00 0.00 0.00 35.03 30.28 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3nnk s PHE 392 N -3.27 3.17 0.29 5.58 5.36 0.26 -4.99 117.98 124.38 3nnk s PHE 392 Ca 0.27 -1.42 -0.29 0.00 -0.96 0.00 0.00 56.93 54.52 3nnk s PHE 392 Cb -0.12 -2.18 -0.10 0.00 -0.34 0.00 0.00 43.02 40.28 3nnk s PHE 392 CO 0.59 -0.70 1.43 -2.14 -1.46 0.00 0.00 175.22 172.93 3nnk s PRO 393 N 1.38 4.25 0.06 10.12 0.02 -1.26 -3.88 135.00 145.69 3nnk s PRO 393 Ca -0.01 2.34 0.03 0.00 0.02 0.00 0.00 61.00 63.39 3nnk s PRO 393 Cb -0.18 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 3nnk s PRO 393 CO -0.00 -0.39 -0.09 0.95 -0.33 0.00 0.00 177.00 177.13 3nnk s THR 394 N -0.46 0.71 0.05 0.99 -4.23 -1.26 -4.99 115.64 106.44 3nnk s THR 394 Ca 0.56 -1.22 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 3nnk s THR 394 Cb -0.42 -0.83 -0.07 0.00 1.34 0.00 0.00 72.50 72.52 3nnk s THR 394 CO 0.49 -0.38 1.49 -0.89 -0.54 0.00 0.00 174.62 174.79 3nnk s THR 395 N -1.55 3.37 0.17 3.99 2.01 -1.26 -4.93 115.64 117.44 3nnk s THR 395 Ca -0.06 0.83 -0.32 0.00 0.31 0.00 0.00 61.69 62.46 3nnk s THR 395 Cb -0.09 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 3nnk s THR 395 CO 0.01 0.01 1.59 -1.58 -0.69 0.00 0.00 174.62 173.96 3nnk s GLN 396 N 2.23 4.20 0.00 4.92 0.74 -1.26 -2.72 119.66 127.77 3nnk s GLN 396 Ca 0.68 2.40 0.00 0.00 0.05 0.00 0.00 55.36 58.49 3nnk s GLN 396 Cb -0.36 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3nnk s GLN 396 CO 0.29 -0.63 0.00 0.41 -0.55 0.00 0.00 175.29 174.81 3nnk n GLY 397 N 3.80 1.23 0.19 2.59 0.00 -1.26 -4.87 105.19 106.86 3nnk n GLY 397 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 0.33 0.04 4.61 0.00 -1.83 -0.82 119.26 121.60 3nnk h ALA 398 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3nnk h ALA 398 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3nnk h ALA 398 CO 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 3nnk h ALA 399 N 0.64 -0.05 -0.17 0.00 0.00 -1.78 -1.79 119.26 116.11 3nnk h ALA 399 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3nnk h ALA 399 Cb 0.87 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3nnk h ALA 399 CO 0.07 -0.49 -0.29 0.52 0.00 0.00 0.00 179.25 179.06 3nnk h MET 400 N -0.14 0.33 -0.12 0.00 2.86 -1.86 -2.67 114.93 113.33 3nnk h MET 400 Ca -0.01 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3nnk h MET 400 Cb 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3nnk h MET 400 CO 0.01 0.60 0.04 0.37 1.06 0.00 0.00 176.91 178.99 3nnk h GLN 401 N 0.29 0.10 -0.53 1.72 5.75 -0.93 -0.82 115.11 120.70 3nnk h GLN 401 Ca 0.04 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 3nnk h GLN 401 Cb 0.67 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 3nnk h GLN 401 CO 0.05 0.07 0.10 0.00 -2.65 0.00 0.00 178.83 176.39 3nnk h ALA 402 N 1.07 1.19 0.25 3.38 0.00 -1.19 0.21 119.26 124.17 3nnk h ALA 402 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3nnk h ALA 402 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3nnk h ALA 402 CO -0.05 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 179.63 3nnk h ALA 403 N 1.32 -0.33 -0.85 0.00 0.00 -1.32 -1.52 119.26 116.56 3nnk h ALA 403 Ca 0.17 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3nnk h ALA 403 Cb 0.33 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3nnk h ALA 403 CO 0.00 -0.56 0.55 -1.49 0.00 0.00 0.00 179.25 177.76 3nnk h TRP 404 N -0.58 0.93 -0.75 0.00 6.55 -1.00 -1.82 115.95 119.27 3nnk h TRP 404 Ca -0.03 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.79 3nnk h TRP 404 Cb 0.43 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.39 3nnk h TRP 404 CO 0.01 0.47 0.33 -0.44 -1.05 0.00 0.00 178.44 177.75 3nnk h ASP 405 N 0.90 1.00 -0.40 -3.49 3.32 -0.46 -2.90 116.42 114.39 3nnk h ASP 405 Ca 0.38 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 3nnk h ASP 405 Cb 0.30 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3nnk h ASP 405 CO -0.15 0.87 -0.14 -0.74 -1.72 0.00 0.00 179.24 177.36 3nnk h HIS 406 N 1.08 0.96 -0.13 4.55 2.76 -0.44 -2.64 115.15 121.28 3nnk h HIS 406 Ca 0.25 -0.20 -0.14 0.00 -2.20 0.00 0.00 60.37 58.09 3nnk h HIS 406 Cb 0.16 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 3nnk h HIS 406 CO 0.02 0.94 -0.50 1.88 -1.30 0.00 0.00 177.93 178.96 3nnk h TYR 407 N 0.77 0.44 0.00 5.26 0.05 -1.25 -2.41 116.97 119.83 3nnk h TYR 407 Ca 0.12 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 3nnk h TYR 407 Cb 0.66 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.31 3nnk h TYR 407 CO 0.04 0.79 -0.51 0.00 -1.05 0.00 0.00 178.16 177.43 3nnk h ARG 408 N 0.29 0.00 0.00 4.88 -0.00 -1.58 -3.26 114.38 114.70 3nnk h ARG 408 Ca 0.01 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.40 3nnk h ARG 408 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.94 3nnk h ARG 408 CO 0.08 0.08 -0.43 0.77 0.00 0.00 0.00 179.97 180.48 3nnk h SER 409 N 0.00 0.00 -0.68 7.04 0.02 -1.21 -3.19 113.55 115.53 3nnk h SER 409 Ca -0.01 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.55 3nnk h SER 409 Cb 1.09 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.41 3nnk h SER 409 CO 0.01 0.43 0.21 -0.62 -1.14 0.00 0.00 176.83 175.72 3nnk n GLU 410 N -3.58 2.24 0.00 3.45 4.71 -0.93 -5.10 120.64 121.44 3nnk n GLU 410 Ca -0.00 -3.25 0.00 0.00 -0.01 0.00 0.00 57.16 53.90 3nnk n GLU 410 Cb 0.54 -2.04 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 3nnk n GLU 410 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11