#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 1.38 0.00 5.18 6.09 -2.09 -3.28 117.51 124.79 3nnk h ILE 3 Ca 0.00 -1.84 -0.01 0.00 -1.37 0.00 0.00 64.86 61.64 3nnk h ILE 3 Cb 0.00 1.95 -0.00 0.00 0.47 0.00 0.00 36.82 39.24 3nnk h ILE 3 CO 0.00 0.54 -0.05 0.71 -3.07 0.00 0.00 178.15 176.27 3nnk h THR 4 N 0.09 0.57 -0.31 2.19 1.35 -2.11 -1.64 112.91 113.05 3nnk h THR 4 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3nnk h THR 4 Cb 0.98 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3nnk h THR 4 CO 0.08 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 3nnk n GLN 5 N -3.79 2.39 -3.44 4.72 10.64 -1.24 -4.58 117.38 122.08 3nnk n GLN 5 Ca -0.03 -1.40 -0.43 0.00 -1.83 0.00 0.00 57.00 53.31 3nnk n GLN 5 Cb 0.15 -1.59 -0.06 0.00 -0.86 0.00 0.00 30.24 27.87 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 -1.70 3.41 0.55 2.61 0.40 -0.62 -5.08 117.98 117.55 3nnk s PHE 6 Ca 0.25 -1.73 -0.02 0.00 -0.60 0.00 0.00 56.93 54.84 3nnk s PHE 6 Cb 0.16 -3.64 0.02 0.00 0.51 0.00 0.00 43.02 40.07 3nnk s PHE 6 CO 0.12 -0.99 0.80 -1.54 0.70 0.00 0.00 175.22 174.30 3nnk s SER 7 N 2.82 5.46 0.83 1.36 1.04 -1.26 -5.06 113.70 118.88 3nnk s SER 7 Ca 0.07 0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.66 3nnk s SER 7 Cb -0.25 -1.28 0.06 0.00 0.10 0.00 0.00 66.02 64.64 3nnk s SER 7 CO -0.01 -1.04 0.91 0.00 0.98 0.00 0.00 173.24 174.08 3nnk n GLN 8 N -2.38 0.06 -1.62 4.02 10.64 -1.26 -4.84 117.38 121.99 3nnk n GLN 8 Ca 0.05 0.09 -0.43 0.00 -1.83 0.00 0.00 57.00 54.88 3nnk n GLN 8 Cb 0.59 -2.20 -0.03 0.00 -0.86 0.00 0.00 30.24 27.74 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 -2.38 3.64 -3.49 2.61 -0.00 -1.26 -4.92 117.00 111.20 3nnk n LEU 9 Ca 0.11 0.48 -0.27 0.00 -0.00 0.00 0.00 56.01 56.33 3nnk n LEU 9 Cb 0.51 -1.55 -0.10 0.00 -0.00 0.00 0.00 43.42 42.28 3nnk n LEU 9 CO 0.49 -0.33 -0.25 -3.20 -0.00 0.00 0.00 177.39 174.10 3nnk n ASN 10 N 10.05 0.35 -4.77 1.96 4.05 -1.26 -5.12 115.26 120.52 3nnk n ASN 10 Ca 0.26 -2.58 -0.39 0.00 0.45 0.00 0.00 54.58 52.32 3nnk n ASN 10 Cb 0.43 -0.60 -0.06 0.00 1.23 0.00 0.00 39.78 40.78 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 -0.37 4.71 0.78 1.20 0.04 -1.26 -5.04 135.00 135.05 3nnk s PRO 11 Ca 0.32 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 3nnk s PRO 11 Cb 0.03 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.56 3nnk s PRO 11 CO -0.19 0.42 1.10 -1.25 0.04 0.00 0.00 177.00 177.13 3nnk s PRO 12 N -1.56 2.18 0.07 0.56 0.04 -1.26 -4.97 135.00 130.05 3nnk s PRO 12 Ca 0.44 1.23 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 3nnk s PRO 12 Cb -0.22 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3nnk s PRO 12 CO 0.28 -1.71 1.30 0.45 0.04 0.00 0.00 177.00 177.35 3nnk s SER 13 N -3.23 6.95 -0.01 6.66 0.15 -1.26 -5.02 113.70 117.94 3nnk s SER 13 Ca 0.62 2.14 0.00 0.00 0.70 0.00 0.00 55.95 59.42 3nnk s SER 13 Cb -0.18 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.56 3nnk s SER 13 CO 0.55 -0.58 -0.01 -0.13 1.20 0.00 0.00 173.24 174.27 3nnk s ARG 14 N 1.29 0.13 -0.53 5.44 1.81 -1.26 -4.84 118.95 120.99 3nnk s ARG 14 Ca 0.61 -0.01 -0.16 0.00 -1.72 0.00 0.00 55.73 54.46 3nnk s ARG 14 Cb -0.32 -0.19 0.12 0.00 -0.45 0.00 0.00 34.95 34.11 3nnk s ARG 14 CO 0.29 -0.02 0.49 -1.17 -0.68 0.00 0.00 175.30 174.21 3nnk s LEU 15 N 0.26 6.13 -0.51 2.53 2.96 0.28 -4.95 118.68 125.38 3nnk s LEU 15 Ca -0.02 -1.76 -0.25 0.00 -0.22 0.00 0.00 54.13 51.88 3nnk s LEU 15 Cb -0.04 -2.20 0.03 0.00 0.50 0.00 0.00 46.19 44.48 3nnk s LEU 15 CO -0.01 -0.84 0.96 -0.76 -1.32 0.00 0.00 176.35 174.38 3nnk s LEU 16 N 1.60 3.99 -0.15 -0.68 1.43 -1.26 -0.85 118.68 122.75 3nnk s LEU 16 Ca 0.03 -0.08 0.14 0.00 -1.03 0.00 0.00 54.13 53.19 3nnk s LEU 16 Cb -0.29 -3.04 0.36 0.00 0.03 0.00 0.00 46.19 43.25 3nnk s LEU 16 CO 0.03 -1.17 1.18 0.23 0.23 0.00 0.00 176.35 176.86 3nnk n MET 17 N 7.41 1.26 0.00 1.70 2.81 0.79 -4.42 117.12 126.67 3nnk n MET 17 Ca 0.05 -2.85 0.00 0.00 -1.81 0.00 0.00 57.70 53.09 3nnk n MET 17 Cb 0.48 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 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 -0.99 1.39 0.28 3.03 0.00 -1.08 0.13 105.19 107.95 3nnk n GLY 18 Ca 0.16 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.37 3nnk n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nnk n PRO 19 N 0.00 1.36 0.00 1.61 -0.04 -1.26 -3.57 135.00 133.10 3nnk n PRO 19 Ca 0.00 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 3nnk n PRO 19 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nnk n GLY 20 N 0.83 2.97 3.78 0.55 0.00 -1.26 -4.95 105.19 107.11 3nnk n GLY 20 Ca 0.09 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 3nnk n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 21 N -3.93 3.26 0.41 1.61 0.04 -1.26 -5.14 135.00 129.99 3nnk s PRO 21 Ca 0.00 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.61 3nnk s PRO 21 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3nnk s PRO 21 CO 0.00 -0.90 0.17 0.96 0.04 0.00 0.00 177.00 177.27 3nnk s ILE 22 N -1.99 2.30 0.13 0.56 -5.25 -0.99 -4.84 121.20 111.13 3nnk s ILE 22 Ca 0.70 -1.72 -0.33 0.00 -0.99 0.00 0.00 60.65 58.32 3nnk s ILE 22 Cb -0.22 -3.00 -0.12 0.00 2.95 0.00 0.00 42.46 42.07 3nnk s ILE 22 CO 0.31 -0.00 1.72 0.59 -1.79 0.00 0.00 174.94 175.76 3nnk n ASN 23 N -1.22 3.59 -4.77 4.36 4.13 -1.26 -4.87 115.26 115.22 3nnk n ASN 23 Ca -0.01 1.04 -0.37 0.00 1.68 0.00 0.00 54.58 56.91 3nnk n ASN 23 Cb 0.65 -1.48 -0.04 0.00 -1.54 0.00 0.00 39.78 37.37 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 1.87 3.15 0.18 5.41 0.00 -1.26 -4.46 121.76 126.64 3nnk s ALA 24 Ca 0.81 0.78 -0.32 0.00 0.00 0.00 0.00 51.96 53.23 3nnk s ALA 24 Cb -0.59 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.12 3nnk s ALA 24 CO 0.38 -0.27 1.64 0.34 0.00 0.00 0.00 175.76 177.86 3nnk s ASP 25 N -1.37 6.50 0.49 0.00 -1.08 -0.98 -4.90 116.67 115.33 3nnk s ASP 25 Ca 0.55 2.72 0.27 0.00 -0.52 0.00 0.00 52.55 55.57 3nnk s ASP 25 Cb -0.25 -2.59 1.34 0.00 -1.46 0.00 0.00 42.92 39.96 3nnk s ASP 25 CO 0.32 -0.89 1.84 -0.65 0.52 0.00 0.00 175.17 176.31 3nnk h PRO 26 N 6.94 0.15 0.00 4.34 0.11 -1.94 0.17 132.00 141.77 3nnk h PRO 26 Ca -0.43 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3nnk h PRO 26 Cb 1.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3nnk h PRO 26 CO 0.93 0.10 -0.29 0.00 -0.21 0.00 0.00 178.00 178.53 3nnk h ARG 27 N 0.16 0.00 -0.01 1.05 -0.00 -1.97 -1.06 114.38 112.55 3nnk h ARG 27 Ca 0.49 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.83 3nnk h ARG 27 Cb 1.66 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.65 3nnk h ARG 27 CO -0.10 0.29 -0.57 0.28 0.00 0.00 0.00 179.97 179.88 3nnk h VAL 28 N 0.00 1.44 -0.56 2.04 2.07 -1.31 -2.52 116.25 117.40 3nnk h VAL 28 Ca -0.00 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 3nnk h VAL 28 Cb 0.89 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 33.22 3nnk h VAL 28 CO 0.04 0.60 0.33 -0.07 0.02 0.00 0.00 177.57 178.48 3nnk h LEU 29 N -0.13 0.69 -0.39 2.57 3.38 -1.38 -2.51 115.31 117.53 3nnk h LEU 29 Ca -0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3nnk h LEU 29 Cb 1.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3nnk h LEU 29 CO 0.11 0.56 0.23 0.03 0.09 0.00 0.00 178.44 179.47 3nnk h ARG 30 N 0.76 0.53 -0.20 1.13 3.08 -1.28 -2.40 114.38 116.00 3nnk h ARG 30 Ca 0.20 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.26 3nnk h ARG 30 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3nnk h ARG 30 CO -0.04 0.40 0.21 0.00 -1.07 0.00 0.00 179.97 179.48 3nnk h ALA 31 N 1.10 1.85 0.00 0.04 0.00 -1.18 -1.16 119.26 119.91 3nnk h ALA 31 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3nnk h ALA 31 Cb 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3nnk h ALA 31 CO -0.03 -0.32 -0.01 0.52 0.00 0.00 0.00 179.25 179.42 3nnk h MET 32 N 0.00 0.00 0.00 0.00 2.86 -1.00 -3.05 114.93 113.74 3nnk h MET 32 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3nnk h MET 32 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3nnk h MET 32 CO -0.00 0.01 0.00 -1.13 1.06 0.00 0.00 176.91 176.85 3nnk n SER 33 N -3.10 0.00 -4.77 1.22 3.41 -0.44 -4.87 113.62 105.06 3nnk n SER 33 Ca 0.03 -1.06 -0.38 0.00 -0.26 0.00 0.00 58.87 57.21 3nnk n SER 33 Cb 0.50 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 3nnk n SER 33 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3nnk s SER 34 N -1.87 7.16 0.60 4.04 0.15 -1.15 -5.02 113.70 117.61 3nnk s SER 34 Ca 0.38 1.99 -0.16 0.00 0.70 0.00 0.00 55.95 58.86 3nnk s SER 34 Cb 0.17 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 3nnk s SER 34 CO 0.29 -0.20 1.07 -1.58 1.20 0.00 0.00 173.24 174.02 3nnk s GLN 35 N -2.02 3.24 0.32 5.44 2.00 -1.26 -4.96 119.66 122.41 3nnk s GLN 35 Ca 0.51 1.27 -0.07 0.00 -2.00 0.00 0.00 55.36 55.07 3nnk s GLN 35 Cb -0.23 -2.02 -0.06 0.00 0.80 0.00 0.00 33.01 31.51 3nnk s GLN 35 CO 0.29 -0.88 0.62 -0.51 -0.50 0.00 0.00 175.29 174.31 3nnk s LEU 36 N -4.48 4.00 0.42 3.68 1.43 -1.26 -5.08 118.68 117.39 3nnk s LEU 36 Ca 0.65 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 54.66 3nnk s LEU 36 Cb -0.17 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 3nnk s LEU 36 CO 0.36 -0.24 0.04 0.27 0.23 0.00 0.00 176.35 177.01 3nnk s ILE 37 N -2.13 1.37 0.99 -0.59 -0.00 -1.26 -5.15 121.20 114.42 3nnk s ILE 37 Ca 0.47 -2.00 -0.12 0.00 -0.00 0.00 0.00 60.65 59.00 3nnk s ILE 37 Cb -0.11 -2.63 0.19 0.00 -0.00 0.00 0.00 42.46 39.91 3nnk s ILE 37 CO 0.29 0.00 1.08 -0.83 -0.00 0.00 0.00 174.94 175.48 3nnk s GLY 38 N -3.69 1.61 0.29 6.27 0.00 -1.26 -4.94 107.32 105.60 3nnk s GLY 38 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.01 3nnk s GLY 38 CO 0.13 0.60 1.86 -1.61 0.00 0.00 0.00 173.10 174.07 3nnk h GLN 39 N -1.99 0.87 -0.00 2.90 4.15 -2.01 -3.20 115.11 115.82 3nnk h GLN 39 Ca -0.52 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 58.75 3nnk h GLN 39 Cb 1.30 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 3nnk h GLN 39 CO 0.50 0.73 -0.17 0.66 -1.93 0.00 0.00 178.83 178.63 3nnk n TYR 40 N -4.31 0.02 -1.85 3.99 4.01 -1.26 -4.65 117.16 113.11 3nnk n TYR 40 Ca 0.05 -1.17 -0.41 0.00 -0.16 0.00 0.00 57.90 56.20 3nnk n TYR 40 Cb 0.18 -0.19 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 3nnk n TYR 40 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3nnk s ASP 41 N -2.99 6.43 0.45 7.72 -1.08 -1.21 -4.85 116.67 121.14 3nnk s ASP 41 Ca 0.34 2.93 0.26 0.00 -0.52 0.00 0.00 52.55 55.56 3nnk s ASP 41 Cb 0.31 -2.65 1.30 0.00 -1.46 0.00 0.00 42.92 40.42 3nnk s ASP 41 CO -0.00 -0.83 1.76 -0.65 0.52 0.00 0.00 175.17 175.96 3nnk h PRO 42 N 3.98 0.22 -0.14 4.34 0.11 -1.96 0.17 132.00 138.71 3nnk h PRO 42 Ca -0.49 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 3nnk h PRO 42 Cb 1.23 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3nnk h PRO 42 CO 0.72 0.14 -0.66 0.00 -0.21 0.00 0.00 178.00 177.98 3nnk h ALA 43 N 1.54 0.58 -0.35 -0.75 0.00 -1.96 -2.43 119.26 115.88 3nnk h ALA 43 Ca 0.62 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3nnk h ALA 43 Cb 1.92 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3nnk h ALA 43 CO -0.22 0.72 0.09 1.98 0.00 0.00 0.00 179.25 181.82 3nnk h MET 44 N 0.40 0.56 0.00 0.00 -1.53 -0.97 -0.50 114.93 112.89 3nnk h MET 44 Ca -0.02 -0.13 -0.09 0.00 -3.44 0.00 0.00 59.70 56.02 3nnk h MET 44 Cb 1.24 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 32.20 3nnk h MET 44 CO 0.12 0.60 -0.44 1.79 0.14 0.00 0.00 176.91 179.12 3nnk h THR 45 N 0.42 1.08 -0.31 -0.77 1.35 -1.51 -1.58 112.91 111.59 3nnk h THR 45 Ca 0.11 -1.65 -0.06 0.00 -0.55 0.00 0.00 66.41 64.26 3nnk h THR 45 Cb 0.29 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3nnk h THR 45 CO -0.00 0.43 -0.05 -0.74 -0.25 0.00 0.00 175.52 174.92 3nnk h HIS 46 N 0.00 0.65 -0.62 4.73 6.17 -1.19 -1.15 115.15 123.74 3nnk h HIS 46 Ca -0.00 -0.13 -0.07 0.00 0.71 0.00 0.00 60.37 60.87 3nnk h HIS 46 Cb 0.92 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.66 3nnk h HIS 46 CO 0.00 0.75 0.11 1.88 0.71 0.00 0.00 177.93 181.37 3nnk h TYR 47 N 0.37 1.07 -0.74 5.26 0.99 -0.93 0.17 116.97 123.15 3nnk h TYR 47 Ca 0.08 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 3nnk h TYR 47 Cb 0.52 -0.30 -0.03 0.00 1.00 0.00 0.00 36.73 37.92 3nnk h TYR 47 CO 0.05 0.90 0.35 0.52 -0.00 0.00 0.00 178.16 179.98 3nnk h MET 48 N 0.95 1.06 0.00 4.88 2.86 -1.26 -0.04 114.93 123.38 3nnk h MET 48 Ca 0.19 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3nnk h MET 48 Cb 0.41 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3nnk h MET 48 CO 0.01 0.82 -0.43 -0.91 1.06 0.00 0.00 176.91 177.46 3nnk h ASN 49 N 1.05 0.00 0.02 1.22 -0.26 -0.58 -2.63 115.58 114.40 3nnk h ASN 49 Ca 0.26 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.75 3nnk h ASN 49 Cb 0.11 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.39 3nnk h ASN 49 CO -0.03 0.43 -0.96 -0.33 -1.06 0.00 0.00 177.43 175.48 3nnk h GLU 50 N 0.00 0.61 -0.52 0.81 5.08 -0.58 -3.04 114.58 116.93 3nnk h GLU 50 Ca -0.00 -0.69 0.06 0.00 -1.00 0.00 0.00 59.36 57.73 3nnk h GLU 50 Cb 0.80 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3nnk h GLU 50 CO 0.06 1.28 0.22 0.28 -1.00 0.00 0.00 179.01 179.85 3nnk h VAL 51 N 0.23 0.87 -0.11 3.13 2.07 -0.91 0.18 116.25 121.71 3nnk h VAL 51 Ca -0.13 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3nnk h VAL 51 Cb 1.63 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3nnk h VAL 51 CO 0.19 0.08 0.02 0.24 0.02 0.00 0.00 177.57 178.11 3nnk h MET 52 N 0.43 0.06 -0.79 1.57 2.86 -1.57 -1.60 114.93 115.90 3nnk h MET 52 Ca 0.25 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3nnk h MET 52 Cb 0.23 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 3nnk h MET 52 CO -0.22 0.04 0.50 0.00 1.06 0.00 0.00 176.91 178.30 3nnk h ALA 53 N 1.08 1.00 -0.39 6.32 0.00 -1.27 -2.45 119.26 123.54 3nnk h ALA 53 Ca 0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 53 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3nnk h ALA 53 CO -0.07 0.43 -0.21 -0.07 0.00 0.00 0.00 179.25 179.34 3nnk h LEU 54 N 1.07 0.86 -0.69 0.00 3.38 -0.49 -3.10 115.31 116.33 3nnk h LEU 54 Ca 0.29 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3nnk h LEU 54 Cb -0.09 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 3nnk h LEU 54 CO -0.06 1.08 -0.00 1.88 0.09 0.00 0.00 178.44 181.43 3nnk h TYR 55 N 0.63 0.00 -0.60 1.13 0.05 -1.21 -2.22 116.97 114.76 3nnk h TYR 55 Ca 0.08 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.87 3nnk h TYR 55 Cb 0.77 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 3nnk h TYR 55 CO 0.06 0.00 0.39 0.00 -1.05 0.00 0.00 178.16 177.56 3nnk h ARG 56 N 0.00 0.77 -0.31 4.88 3.08 -1.37 0.15 114.38 121.59 3nnk h ARG 56 Ca -0.00 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3nnk h ARG 56 Cb 0.77 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3nnk h ARG 56 CO 0.00 0.51 -0.30 0.78 -1.07 0.00 0.00 179.97 179.89 3nnk h GLY 57 N 0.80 0.71 0.71 0.04 0.00 -1.46 -0.31 103.07 103.57 3nnk h GLY 57 Ca 0.22 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3nnk h GLY 57 CO -0.06 0.58 -0.10 -2.08 0.00 0.00 0.00 176.54 174.88 3nnk h VAL 58 N 0.56 1.34 0.00 4.60 2.07 -1.15 -2.98 116.25 120.69 3nnk h VAL 58 Ca 0.07 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3nnk h VAL 58 Cb 0.80 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3nnk h VAL 58 CO 0.07 0.35 0.00 -0.26 0.02 0.00 0.00 177.57 177.75 3nnk h PHE 59 N -0.08 0.00 -5.25 1.57 0.04 -0.73 -3.46 116.94 109.03 3nnk h PHE 59 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3nnk h PHE 59 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 3nnk h PHE 59 CO 0.08 0.00 -0.05 0.54 -0.60 0.00 0.00 178.31 178.28 3nnk n ARG 60 N -2.51 -1.37 -3.70 1.51 5.12 -0.53 -3.03 116.66 112.16 3nnk n ARG 60 Ca 0.02 1.52 -0.10 0.00 -1.93 0.00 0.00 57.85 57.36 3nnk n ARG 60 Cb 0.30 -5.56 -0.03 0.00 -1.16 0.00 0.00 32.46 26.00 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 -2.95 0.02 -0.92 0.55 -1.32 -0.24 -3.00 115.64 107.78 3nnk s THR 61 Ca 0.03 -0.69 0.08 0.00 -1.21 0.00 0.00 61.69 59.90 3nnk s THR 61 Cb -0.01 -1.52 0.09 0.00 -1.51 0.00 0.00 72.50 69.56 3nnk s THR 61 CO 0.72 -0.10 0.83 -0.62 -2.21 0.00 0.00 174.62 173.23 3nnk n GLU 62 N -0.35 0.61 -1.67 7.08 1.02 -1.26 -4.51 120.64 121.56 3nnk n GLU 62 Ca -0.11 -1.14 -0.57 0.00 -0.02 0.00 0.00 57.16 55.32 3nnk n GLU 62 Cb 0.63 -1.16 -0.07 0.00 -0.02 0.00 0.00 31.44 30.82 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 0.40 1.91 -0.18 1.62 3.02 -1.26 -4.86 115.26 115.91 3nnk n ASN 63 Ca 0.05 1.10 -0.00 0.00 -0.03 0.00 0.00 54.58 55.71 3nnk n ASN 63 Cb 0.23 -1.11 0.24 0.00 -0.61 0.00 0.00 39.78 38.53 3nnk n ASN 63 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3nnk h ARG 64 N 6.01 0.93 -3.41 3.52 2.43 -1.97 -3.34 114.38 118.56 3nnk h ARG 64 Ca -0.47 -0.09 -0.80 0.00 -0.81 0.00 0.00 59.98 57.82 3nnk h ARG 64 Cb 1.34 -0.19 -0.27 0.00 -0.42 0.00 0.00 29.97 30.43 3nnk h ARG 64 CO 0.90 0.66 0.72 0.91 -1.51 0.00 0.00 179.97 181.65 3nnk n TRP 65 N -4.39 4.05 -4.35 2.20 7.02 -1.26 -4.94 117.44 115.78 3nnk n TRP 65 Ca 0.07 -3.34 -0.33 0.00 -1.02 0.00 0.00 57.50 52.88 3nnk n TRP 65 Cb 0.08 -1.59 -0.16 0.00 -2.42 0.00 0.00 31.31 27.22 3nnk n TRP 65 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3nnk s THR 66 N -1.56 2.13 0.12 -0.99 2.01 -1.25 -1.41 115.64 114.68 3nnk s THR 66 Ca 0.32 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 3nnk s THR 66 Cb -0.03 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.62 3nnk s THR 66 CO -0.00 0.54 0.23 1.15 -0.69 0.00 0.00 174.62 175.84 3nnk n MET 67 N 4.38 0.33 -4.96 4.92 0.00 -0.41 -4.39 117.12 116.99 3nnk n MET 67 Ca -0.20 -0.72 -0.32 0.00 0.00 0.00 0.00 57.70 56.46 3nnk n MET 67 Cb 0.51 0.85 -0.14 0.00 0.00 0.00 0.00 33.22 34.44 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 2.58 -0.19 3.17 1.43 -1.26 -0.60 118.68 123.81 3nnk s LEU 68 Ca 0.06 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 3nnk s LEU 68 Cb -0.01 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 3nnk s LEU 68 CO 0.04 0.29 0.15 -0.69 0.23 0.00 0.00 176.35 176.38 3nnk s VAL 69 N -0.43 5.40 -1.07 -1.59 1.01 0.48 -4.95 120.40 119.24 3nnk s VAL 69 Ca 0.05 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 3nnk s VAL 69 Cb -0.12 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 32.86 3nnk s VAL 69 CO 0.02 0.44 1.43 -1.81 0.00 0.00 0.00 175.10 175.18 3nnk s ASP 70 N 0.31 6.66 0.00 3.32 1.11 -1.26 -1.21 116.67 125.60 3nnk s ASP 70 Ca 0.09 -1.95 0.00 0.00 0.18 0.00 0.00 52.55 50.88 3nnk s ASP 70 Cb -0.11 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.36 3nnk s ASP 70 CO -0.01 -1.26 0.00 0.61 1.18 0.00 0.00 175.17 175.69 3nnk n GLY 71 N 5.98 1.47 3.55 0.21 0.00 -0.66 -5.00 105.19 110.73 3nnk n GLY 71 Ca 0.34 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 1.84 0.33 2.61 -4.23 -1.25 -2.37 115.64 110.56 3nnk s THR 72 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 3nnk s THR 72 Cb 0.00 -2.30 0.33 0.00 1.34 0.00 0.00 72.50 71.86 3nnk s THR 72 CO 0.00 0.00 1.75 0.28 -0.54 0.00 0.00 174.62 176.11 3nnk h SER 73 N -2.47 0.65 0.96 3.99 0.02 -1.80 0.15 113.55 115.05 3nnk h SER 73 Ca -0.54 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3nnk h SER 73 Cb 1.33 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3nnk h SER 73 CO 0.48 0.14 -0.01 -2.11 -1.14 0.00 0.00 176.83 174.19 3nnk n ARG 74 N -4.81 0.04 0.09 3.45 1.85 -1.26 -2.22 116.66 113.79 3nnk n ARG 74 Ca 0.26 -0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.04 3nnk n ARG 74 Cb 0.73 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.62 3nnk n ARG 74 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3nnk h ALA 75 N 3.04 0.52 -0.31 2.89 0.00 -0.99 -1.45 119.26 122.95 3nnk h ALA 75 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 53.99 3nnk h ALA 75 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3nnk h ALA 75 CO 0.00 1.02 -0.41 0.78 0.00 0.00 0.00 179.25 180.65 3nnk h GLY 76 N 2.29 0.81 0.87 0.00 0.00 -1.33 -0.46 103.07 105.26 3nnk h GLY 76 Ca -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 3nnk h GLY 76 CO 0.13 0.75 -0.08 -2.22 0.00 0.00 0.00 176.54 175.11 3nnk h ILE 77 N 0.61 0.90 -0.90 2.60 2.04 -1.43 -2.46 117.51 118.87 3nnk h ILE 77 Ca 0.05 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3nnk h ILE 77 Cb 0.96 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3nnk h ILE 77 CO 0.09 0.07 0.48 -0.08 0.00 0.00 0.00 178.15 178.71 3nnk h GLU 78 N -0.35 1.26 -0.15 2.37 4.81 -1.26 0.49 114.58 121.74 3nnk h GLU 78 Ca -0.02 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3nnk h GLU 78 Cb 0.28 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3nnk h GLU 78 CO 0.04 0.93 -0.12 0.00 -0.73 0.00 0.00 179.01 179.12 3nnk h ALA 79 N 1.26 0.00 -0.54 2.92 0.00 -1.04 0.25 119.26 122.11 3nnk h ALA 79 Ca 0.32 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 3nnk h ALA 79 Cb 0.04 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3nnk h ALA 79 CO -0.05 -0.56 -0.05 0.82 0.00 0.00 0.00 179.25 179.41 3nnk h ILE 80 N -0.13 1.26 -0.03 0.00 2.04 -1.11 -2.10 117.51 117.44 3nnk h ILE 80 Ca 0.10 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3nnk h ILE 80 Cb 0.27 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3nnk h ILE 80 CO -0.23 0.42 -0.02 -0.07 0.00 0.00 0.00 178.15 178.24 3nnk h LEU 81 N 0.88 0.08 -1.08 1.44 3.38 -0.46 -1.05 115.31 118.49 3nnk h LEU 81 Ca 0.15 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3nnk h LEU 81 Cb 0.59 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3nnk h LEU 81 CO 0.04 0.51 0.04 0.58 0.09 0.00 0.00 178.44 179.69 3nnk h VAL 82 N -0.35 1.22 0.00 1.22 2.07 -0.59 0.51 116.25 120.32 3nnk h VAL 82 Ca 0.01 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3nnk h VAL 82 Cb 0.48 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3nnk h VAL 82 CO 0.01 0.30 0.00 0.28 0.02 0.00 0.00 177.57 178.18 3nnk h SER 83 N 0.66 0.00 0.01 0.57 0.02 -1.34 -3.27 113.55 110.19 3nnk h SER 83 Ca 0.14 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.78 3nnk h SER 83 Cb 0.36 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 3nnk h SER 83 CO 0.01 0.00 -2.31 0.00 -1.14 0.00 0.00 176.83 173.39 3nnk n ALA 84 N -2.07 1.71 -2.78 3.77 0.00 -0.40 -4.55 120.51 116.18 3nnk n ALA 84 Ca 0.03 -1.20 -0.39 0.00 0.00 0.00 0.00 53.44 51.88 3nnk n ALA 84 Cb 0.45 -0.28 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.66 4.80 0.21 0.00 1.01 0.15 -5.04 121.20 119.66 3nnk s ILE 85 Ca -0.10 -0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 3nnk s ILE 85 Cb 0.07 -3.43 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 3nnk s ILE 85 CO 0.84 0.07 0.68 -0.13 0.00 0.00 0.00 174.94 176.41 3nnk s ARG 86 N 1.65 4.18 -0.13 2.79 3.00 -1.26 -4.78 118.95 124.40 3nnk s ARG 86 Ca 0.05 0.77 -0.40 0.00 0.00 0.00 0.00 55.73 56.16 3nnk s ARG 86 Cb -0.17 -2.88 -0.17 0.00 0.00 0.00 0.00 34.95 31.73 3nnk s ARG 86 CO 0.07 0.41 1.48 -2.30 0.00 0.00 0.00 175.30 174.96 3nnk n PRO 87 N 0.71 0.84 0.00 3.54 -0.01 -1.26 -1.45 135.00 137.36 3nnk n PRO 87 Ca -0.03 0.31 0.00 0.00 -0.01 0.00 0.00 63.50 63.77 3nnk n PRO 87 Cb 0.51 -1.92 0.00 0.00 -0.01 0.00 0.00 33.50 32.08 3nnk n PRO 87 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3nnk n GLY 88 N 3.15 2.91 3.72 -1.23 0.00 -0.24 -4.98 105.19 108.52 3nnk n GLY 88 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3nnk n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nnk n ASP 89 N 0.00 3.35 -4.78 1.61 8.00 -0.53 -4.17 116.55 120.03 3nnk n ASP 89 Ca 0.00 1.17 -0.38 0.00 0.71 0.00 0.00 54.79 56.29 3nnk n ASP 89 Cb 0.00 -1.53 -0.06 0.00 -0.02 0.00 0.00 41.12 39.50 3nnk n ASP 89 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3nnk s LYS 90 N -0.99 4.61 -0.01 -1.24 1.02 -1.26 -1.92 119.74 119.95 3nnk s LYS 90 Ca 0.62 1.30 0.01 0.00 0.02 0.00 0.00 55.97 57.91 3nnk s LYS 90 Cb -0.55 -2.94 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3nnk s LYS 90 CO 0.54 0.37 -0.01 0.08 -0.92 0.00 0.00 175.35 175.40 3nnk s VAL 91 N -1.48 0.16 -0.24 3.17 1.01 -0.62 -1.79 120.40 120.62 3nnk s VAL 91 Ca 0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 3nnk s VAL 91 Cb -0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 3nnk s VAL 91 CO 0.25 0.07 -0.02 -0.22 0.00 0.00 0.00 175.10 175.19 3nnk s LEU 92 N 0.25 3.10 -0.34 3.92 2.96 0.03 -0.37 118.68 128.24 3nnk s LEU 92 Ca -0.02 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 3nnk s LEU 92 Cb -0.04 -1.76 0.07 0.00 0.50 0.00 0.00 46.19 44.96 3nnk s LEU 92 CO -0.01 -0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 174.34 3nnk s VAL 93 N 1.47 3.03 -0.51 1.68 1.01 0.03 -0.13 120.40 126.99 3nnk s VAL 93 Ca 0.05 -1.66 -0.28 0.00 0.00 0.00 0.00 61.98 60.08 3nnk s VAL 93 Cb -0.15 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3nnk s VAL 93 CO -0.02 -0.32 1.36 -2.16 0.00 0.00 0.00 175.10 173.96 3nnk s PRO 94 N 1.19 3.45 -0.28 2.72 0.05 -1.26 -2.32 135.00 138.56 3nnk s PRO 94 Ca 0.00 0.59 -0.17 0.00 0.05 0.00 0.00 61.00 61.47 3nnk s PRO 94 Cb -0.21 -4.06 -0.03 0.00 0.05 0.00 0.00 34.50 30.26 3nnk s PRO 94 CO -0.03 -1.75 0.47 0.08 0.05 0.00 0.00 177.00 175.83 3nnk s VAL 95 N 5.61 5.10 -0.04 -0.36 1.01 0.55 -4.73 120.40 127.52 3nnk s VAL 95 Ca 0.54 0.70 0.07 0.00 0.00 0.00 0.00 61.98 63.28 3nnk s VAL 95 Cb -0.11 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.57 3nnk s VAL 95 CO 0.28 0.07 0.97 2.22 0.00 0.00 0.00 175.10 178.64 3nnk n PHE 96 N 5.50 0.00 -1.62 5.22 1.16 -1.26 -2.99 117.46 123.47 3nnk n PHE 96 Ca -0.06 -0.51 0.00 0.00 -1.87 0.00 0.00 57.45 55.02 3nnk n PHE 96 Cb 0.50 -0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.29 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 -0.66 -1.18 0.28 4.97 0.00 -1.26 -4.64 105.19 102.70 3nnk n GLY 97 Ca 0.05 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.21 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 0.56 0.00 1.61 1.12 -1.95 -2.02 114.38 113.70 3nnk h ARG 98 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 3nnk h ARG 98 Cb 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.83 3nnk h ARG 98 CO 0.00 0.37 0.00 1.19 -3.11 0.00 0.00 179.97 178.42 3nnk n PHE 99 N -4.89 0.91 -0.00 2.20 3.72 -1.26 -1.38 117.46 116.77 3nnk n PHE 99 Ca 0.13 0.31 -0.00 0.00 -0.05 0.00 0.00 57.45 57.83 3nnk n PHE 99 Cb 0.34 -1.00 0.29 0.00 -0.94 0.00 0.00 39.48 38.17 3nnk n PHE 99 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3nnk h GLY 100 N 3.45 0.57 1.94 1.37 0.00 -1.72 -2.61 103.07 106.06 3nnk h GLY 100 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 3nnk h GLY 100 CO 0.00 0.32 -0.71 0.45 0.00 0.00 0.00 176.54 176.60 3nnk h HIS 101 N 0.50 0.08 -0.44 5.60 3.86 -1.23 -2.84 115.15 120.69 3nnk h HIS 101 Ca 0.11 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3nnk h HIS 101 Cb 0.35 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3nnk h HIS 101 CO 0.01 0.74 0.19 1.25 0.86 0.00 0.00 177.93 180.99 3nnk h LEU 102 N 0.04 0.59 -1.00 2.43 5.85 -1.28 -1.68 115.31 120.26 3nnk h LEU 102 Ca -0.01 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3nnk h LEU 102 Cb 1.25 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3nnk h LEU 102 CO 0.10 0.58 0.66 -0.07 -0.34 0.00 0.00 178.44 179.37 3nnk h LEU 103 N 0.56 1.13 -0.23 2.25 3.38 -1.45 -1.99 115.31 118.96 3nnk h LEU 103 Ca 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3nnk h LEU 103 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3nnk h LEU 103 CO -0.01 0.80 0.07 0.00 0.09 0.00 0.00 178.44 179.38 3nnk h GLU 105 N 0.20 0.77 -0.02 0.00 4.39 -1.19 -1.04 114.58 117.69 3nnk h GLU 105 Ca 0.07 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 3nnk h GLU 105 Cb 0.24 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3nnk h GLU 105 CO -0.00 0.91 -0.00 0.82 -1.16 0.00 0.00 179.01 179.58 3nnk h ILE 106 N 0.68 1.25 -0.64 3.13 2.04 -1.32 -1.43 117.51 121.22 3nnk h ILE 106 Ca 0.10 -0.75 0.10 0.00 1.00 0.00 0.00 64.86 65.31 3nnk h ILE 106 Cb 0.71 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 3nnk h ILE 106 CO 0.05 0.20 0.43 0.00 0.00 0.00 0.00 178.15 178.83 3nnk h ALA 107 N 0.69 1.97 -0.41 1.87 0.00 -1.22 -1.32 119.26 120.85 3nnk h ALA 107 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3nnk h ALA 107 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3nnk h ALA 107 CO 0.00 -0.12 -0.11 -0.09 0.00 0.00 0.00 179.25 178.94 3nnk h ARG 108 N 0.47 0.80 0.00 0.00 2.43 -0.95 -2.60 114.38 114.52 3nnk h ARG 108 Ca 0.30 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3nnk h ARG 108 Cb 0.54 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3nnk h ARG 108 CO -0.09 0.93 -0.08 0.00 -1.51 0.00 0.00 179.97 179.22 3nnk h ARG 109 N 0.61 0.00 -0.00 0.20 2.47 -0.18 0.01 114.38 117.50 3nnk h ARG 109 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3nnk h ARG 109 Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 3nnk h ARG 109 CO 0.04 0.08 0.00 0.00 0.56 0.00 0.00 179.97 180.65 3nnk n ARG 111 N -0.79 -2.43 -3.35 0.00 1.74 -0.01 -4.07 116.66 107.76 3nnk n ARG 111 Ca 0.15 0.71 -0.31 0.00 -0.77 0.00 0.00 57.85 57.63 3nnk n ARG 111 Cb 0.07 -5.08 -0.05 0.00 -1.02 0.00 0.00 32.46 26.38 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 -2.89 3.57 -0.30 7.54 0.00 -1.01 -1.08 121.76 127.59 3nnk s ALA 112 Ca 0.11 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 3nnk s ALA 112 Cb -0.05 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.67 3nnk s ALA 112 CO 0.14 0.39 1.18 -2.00 0.00 0.00 0.00 175.76 175.47 3nnk s GLU 113 N -3.12 4.02 -0.29 0.00 2.12 -0.81 -4.66 118.70 115.97 3nnk s GLU 113 Ca 0.47 1.19 -0.10 0.00 0.36 0.00 0.00 54.97 56.89 3nnk s GLU 113 Cb -0.11 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 3nnk s GLU 113 CO 0.25 -0.98 0.14 0.08 -0.54 0.00 0.00 175.26 174.21 3nnk s VAL 114 N 3.93 4.74 -0.06 3.70 1.01 -1.26 -1.58 120.40 130.89 3nnk s VAL 114 Ca 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3nnk s VAL 114 Cb -0.15 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3nnk s VAL 114 CO 0.19 0.19 0.01 -1.00 0.00 0.00 0.00 175.10 174.48 3nnk s HIS 115 N 1.66 3.14 0.04 5.22 3.76 0.51 -4.98 115.29 124.64 3nnk s HIS 115 Ca 0.06 0.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.15 3nnk s HIS 115 Cb -0.16 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 3nnk s HIS 115 CO 0.07 0.47 -0.08 0.95 -0.85 0.00 0.00 174.74 175.30 3nnk s THR 116 N -0.96 0.53 0.16 1.30 -4.23 -1.26 -0.79 115.64 110.39 3nnk s THR 116 Ca 0.16 -1.07 0.08 0.00 -1.18 0.00 0.00 61.69 59.67 3nnk s THR 116 Cb -0.11 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 3nnk s THR 116 CO 0.05 -0.38 -0.17 0.27 -0.54 0.00 0.00 174.62 173.85 3nnk s ILE 117 N -1.37 1.69 -0.05 2.99 -4.36 -0.98 -4.97 121.20 114.15 3nnk s ILE 117 Ca -0.10 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 3nnk s ILE 117 Cb -0.10 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 41.85 3nnk s ILE 117 CO 0.00 -0.36 -0.08 -1.61 0.24 0.00 0.00 174.94 173.14 3nnk s GLU 118 N -2.82 1.15 0.06 0.37 2.02 -1.26 -0.33 118.70 117.88 3nnk s GLU 118 Ca 0.14 -0.23 0.07 0.00 0.02 0.00 0.00 54.97 54.97 3nnk s GLU 118 Cb -0.05 -1.04 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 3nnk s GLU 118 CO 0.06 -0.02 -0.15 0.14 0.02 0.00 0.00 175.26 175.31 3nnk s VAL 119 N 0.74 3.05 0.80 2.63 -7.23 -1.16 -5.02 120.40 114.22 3nnk s VAL 119 Ca -0.12 -1.19 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 3nnk s VAL 119 Cb -0.14 -2.34 0.07 0.00 0.56 0.00 0.00 36.38 34.53 3nnk s VAL 119 CO 0.02 0.26 1.10 -2.16 -0.31 0.00 0.00 175.10 174.01 3nnk s PRO 120 N -1.71 2.02 -0.05 4.82 0.04 -1.26 -4.55 135.00 134.31 3nnk s PRO 120 Ca 0.17 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 3nnk s PRO 120 Cb -0.11 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 3nnk s PRO 120 CO 0.08 -1.83 1.16 -1.58 0.04 0.00 0.00 177.00 174.88 3nnk s TRP 121 N -2.86 3.29 -0.69 0.56 0.52 -1.26 0.71 118.94 119.20 3nnk s TRP 121 Ca 0.62 1.30 0.05 0.00 0.02 0.00 0.00 56.10 58.09 3nnk s TRP 121 Cb -0.18 -3.37 0.17 0.00 -1.15 0.00 0.00 33.47 28.94 3nnk s TRP 121 CO 0.56 -1.09 0.50 0.41 0.02 0.00 0.00 176.95 177.36 3nnk n GLY 122 N 3.28 3.95 1.44 0.98 0.00 -1.26 -4.99 105.19 108.60 3nnk n GLY 122 Ca 0.10 -2.53 -0.07 0.00 0.00 0.00 0.00 46.02 43.52 3nnk n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nnk n GLU 123 N 1.97 0.87 -4.18 1.61 1.02 0.22 -2.80 120.64 119.34 3nnk n GLU 123 Ca 0.21 -1.16 -0.13 0.00 -0.02 0.00 0.00 57.16 56.07 3nnk n GLU 123 Cb 0.36 -0.08 -0.10 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.36 0.86 -0.01 2.62 0.11 -1.26 -4.90 120.40 117.46 3nnk s VAL 124 Ca 0.22 -1.84 -0.29 0.00 -2.93 0.00 0.00 61.98 57.14 3nnk s VAL 124 Cb -0.02 -1.58 -0.03 0.00 -1.53 0.00 0.00 36.38 33.22 3nnk s VAL 124 CO 0.14 -0.73 0.92 -0.36 -3.33 0.00 0.00 175.10 171.73 3nnk s PHE 125 N -3.12 3.64 0.26 1.54 0.08 -1.26 -4.97 117.98 114.16 3nnk s PHE 125 Ca 0.10 1.61 -0.30 0.00 0.12 0.00 0.00 56.93 58.46 3nnk s PHE 125 Cb 0.02 -3.05 -0.09 0.00 -0.57 0.00 0.00 43.02 39.32 3nnk s PHE 125 CO -0.02 0.01 1.06 0.99 -0.10 0.00 0.00 175.22 177.16 3nnk s THR 126 N 0.95 3.66 0.42 0.64 2.01 -1.26 -4.84 115.64 117.22 3nnk s THR 126 Ca 0.49 1.66 0.20 0.00 0.31 0.00 0.00 61.69 64.34 3nnk s THR 126 Cb -0.20 -4.05 0.40 0.00 0.01 0.00 0.00 72.50 68.66 3nnk s THR 126 CO 0.26 0.39 1.81 -0.65 -0.69 0.00 0.00 174.62 175.74 3nnk h PRO 127 N 3.97 0.34 -0.26 4.92 0.11 -1.95 -0.49 132.00 138.64 3nnk h PRO 127 Ca -0.46 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 3nnk h PRO 127 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3nnk h PRO 127 CO 0.67 0.23 -0.44 -0.44 -0.21 0.00 0.00 178.00 177.82 3nnk h ASP 128 N 0.36 0.71 -0.74 -2.05 5.19 -1.97 -2.39 116.42 115.52 3nnk h ASP 128 Ca 0.54 -0.33 0.04 0.00 -0.62 0.00 0.00 57.03 56.66 3nnk h ASP 128 Cb 1.45 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.71 3nnk h ASP 128 CO -0.22 1.05 0.46 1.56 -3.12 0.00 0.00 179.24 178.97 3nnk h GLN 129 N 0.53 0.85 -0.06 3.56 4.20 -1.47 0.27 115.11 122.99 3nnk h GLN 129 Ca 0.04 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.45 3nnk h GLN 129 Cb 0.97 -0.19 0.02 0.00 0.30 0.00 0.00 27.48 28.58 3nnk h GLN 129 CO 0.09 0.56 -0.93 -0.39 -0.67 0.00 0.00 178.83 177.49 3nnk h VAL 130 N 0.88 1.28 -0.41 -0.54 -1.51 -1.54 -3.02 116.25 111.38 3nnk h VAL 130 Ca 0.31 -2.13 -0.01 0.00 -1.23 0.00 0.00 66.70 63.63 3nnk h VAL 130 Cb 0.07 2.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.44 3nnk h VAL 130 CO -0.13 0.67 0.19 -0.08 -1.23 0.00 0.00 177.57 176.98 3nnk h GLU 131 N 0.45 0.56 -0.66 5.19 4.81 -1.16 0.13 114.58 123.89 3nnk h GLU 131 Ca -0.10 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 3nnk h GLU 131 Cb 1.58 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.82 3nnk h GLU 131 CO 0.19 0.44 0.08 -0.44 -0.73 0.00 0.00 179.01 178.56 3nnk h ASP 132 N 0.57 1.07 -0.12 1.04 3.45 -0.98 -1.89 116.42 119.56 3nnk h ASP 132 Ca 0.14 -0.27 -0.20 0.00 0.43 0.00 0.00 57.03 57.14 3nnk h ASP 132 Cb 0.07 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 3nnk h ASP 132 CO -0.02 1.07 -0.67 0.00 -1.57 0.00 0.00 179.24 178.06 3nnk h ALA 133 N 1.04 0.45 -0.25 3.45 0.00 -1.20 -1.25 119.26 121.50 3nnk h ALA 133 Ca 0.20 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.57 3nnk h ALA 133 Cb 0.47 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3nnk h ALA 133 CO 0.02 0.69 0.11 0.28 0.00 0.00 0.00 179.25 180.35 3nnk h VAL 134 N 0.54 0.98 -0.94 0.00 2.07 -0.76 0.41 116.25 118.54 3nnk h VAL 134 Ca -0.02 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3nnk h VAL 134 Cb 1.27 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3nnk h VAL 134 CO 0.14 0.04 0.60 0.11 0.02 0.00 0.00 177.57 178.49 3nnk h LYS 135 N 0.25 1.10 0.35 1.57 1.57 -1.30 -0.87 116.57 119.25 3nnk h LYS 135 Ca 0.10 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3nnk h LYS 135 Cb 0.04 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.11 3nnk h LYS 135 CO -0.08 0.73 -0.17 0.00 -0.57 0.00 0.00 179.45 179.36 3nnk h ARG 136 N 1.13 -0.46 0.00 3.15 3.08 -0.65 -3.37 114.38 117.26 3nnk h ARG 136 Ca 0.39 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.47 3nnk h ARG 136 Cb 0.09 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3nnk h ARG 136 CO -0.15 -0.31 -0.64 -0.84 -1.07 0.00 0.00 179.97 176.97 3nnk h ILE 137 N -0.93 0.01 -5.72 2.04 -2.65 -1.03 -3.49 117.51 105.74 3nnk h ILE 137 Ca -0.05 -1.02 -0.13 0.00 1.03 0.00 0.00 64.86 64.69 3nnk h ILE 137 Cb 0.37 1.69 0.01 0.00 -2.05 0.00 0.00 36.82 36.84 3nnk h ILE 137 CO 0.08 0.01 -0.30 -1.14 0.03 0.00 0.00 178.15 176.83 3nnk n ARG 138 N -2.84 -1.39 -2.45 0.16 3.00 -0.33 -4.99 116.66 107.82 3nnk n ARG 138 Ca 0.01 1.29 -0.24 0.00 -0.00 0.00 0.00 57.85 58.92 3nnk n ARG 138 Cb 0.55 -4.90 0.07 0.00 0.00 0.00 0.00 32.46 28.17 3nnk n ARG 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3nnk s PRO 139 N -3.55 2.17 -0.12 -0.14 0.04 -1.26 -4.93 135.00 127.21 3nnk s PRO 139 Ca 0.02 -0.65 -0.12 0.00 0.04 0.00 0.00 61.00 60.29 3nnk s PRO 139 Cb -0.00 -2.32 -0.26 0.00 0.04 0.00 0.00 34.50 31.96 3nnk s PRO 139 CO 0.79 -1.12 0.41 -0.09 0.04 0.00 0.00 177.00 177.03 3nnk h ARG 140 N -0.35 0.23 -5.78 4.56 2.43 -1.70 -3.44 114.38 110.32 3nnk h ARG 140 Ca -0.42 -0.39 -0.68 0.00 -0.81 0.00 0.00 59.98 57.68 3nnk h ARG 140 Cb 1.30 0.15 -0.32 0.00 -0.42 0.00 0.00 29.97 30.67 3nnk h ARG 140 CO 0.52 1.19 -0.88 -0.51 -1.51 0.00 0.00 179.97 178.78 3nnk s LEU 141 N -7.32 2.07 -0.42 3.80 2.01 -1.22 -0.31 118.68 117.29 3nnk s LEU 141 Ca -0.22 -0.52 -0.16 0.00 0.01 0.00 0.00 54.13 53.24 3nnk s LEU 141 Cb 0.06 -1.36 0.02 0.00 0.01 0.00 0.00 46.19 44.92 3nnk s LEU 141 CO 0.75 0.22 0.35 -0.22 1.01 0.00 0.00 176.35 178.45 3nnk s LEU 142 N -0.01 5.07 -0.45 1.79 2.96 -0.17 -0.79 118.68 127.09 3nnk s LEU 142 Ca -0.08 -0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 52.83 3nnk s LEU 142 Cb -0.15 -2.23 0.07 0.00 0.50 0.00 0.00 46.19 44.39 3nnk s LEU 142 CO 0.05 -0.50 0.35 -0.76 -1.32 0.00 0.00 176.35 174.17 3nnk s LEU 143 N 1.81 5.45 0.20 -0.68 1.43 0.82 -2.34 118.68 125.38 3nnk s LEU 143 Ca 0.07 -1.37 0.09 0.00 -1.03 0.00 0.00 54.13 51.88 3nnk s LEU 143 Cb -0.19 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 3nnk s LEU 143 CO 0.11 -0.60 -0.06 0.42 0.23 0.00 0.00 176.35 176.44 3nnk s THR 144 N 1.57 3.32 -0.16 5.49 -4.23 -0.95 -3.99 115.64 116.69 3nnk s THR 144 Ca 0.04 -1.70 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 3nnk s THR 144 Cb -0.24 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 3nnk s THR 144 CO 0.05 -0.18 0.03 -0.69 -0.54 0.00 0.00 174.62 173.29 3nnk s VAL 145 N -1.88 4.54 0.00 2.29 1.01 -1.26 -0.71 120.40 124.38 3nnk s VAL 145 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3nnk s VAL 145 Cb -0.08 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3nnk s VAL 145 CO 0.17 0.50 0.40 1.67 0.00 0.00 0.00 175.10 177.84 3nnk n GLN 146 N 3.22 0.00 -3.96 2.72 7.27 -0.02 -4.51 117.38 122.10 3nnk n GLN 146 Ca -0.17 0.49 -0.35 0.00 0.07 0.00 0.00 57.00 57.04 3nnk n GLN 146 Cb 0.53 -1.19 -0.14 0.00 2.41 0.00 0.00 30.24 31.85 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 -1.58 1.62 -0.50 1.69 0.00 -1.26 0.17 107.32 107.46 3nnk s GLY 147 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 44.72 43.44 3nnk s GLY 147 CO 0.00 0.38 0.42 -0.35 0.00 0.00 0.00 173.10 173.55 3nnk s ASP 148 N 1.38 6.06 0.55 1.64 -1.08 -0.53 -4.59 116.67 120.10 3nnk s ASP 148 Ca 0.05 -1.62 0.29 0.00 -0.52 0.00 0.00 52.55 50.75 3nnk s ASP 148 Cb -0.14 -2.15 1.46 0.00 -1.46 0.00 0.00 42.92 40.63 3nnk s ASP 148 CO -0.02 -0.73 1.91 0.71 0.52 0.00 0.00 175.17 177.56 3nnk h THR 149 N 5.89 0.54 0.00 1.71 1.35 -1.95 0.14 112.91 120.59 3nnk h THR 149 Ca -0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 3nnk h THR 149 Cb 1.10 0.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3nnk h THR 149 CO 0.93 0.00 -0.12 0.77 -0.25 0.00 0.00 175.52 176.85 3nnk h SER 150 N 0.00 0.00 0.00 5.36 4.64 -1.97 -3.20 113.55 118.38 3nnk h SER 150 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3nnk h SER 150 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3nnk h SER 150 CO -0.00 0.12 0.00 0.35 -0.87 0.00 0.00 176.83 176.43 3nnk n THR 151 N -3.49 0.00 -1.98 2.95 -2.24 -0.51 -4.94 114.28 104.07 3nnk n THR 151 Ca -0.01 -0.40 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 3nnk n THR 151 Cb 0.27 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.59 -0.48 -4.17 4.28 -2.24 0.37 -4.77 114.28 106.69 3nnk n THR 152 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 3nnk n THR 152 Cb 0.01 -2.17 -0.08 0.00 -2.10 0.00 0.00 70.33 65.99 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 -4.26 3.09 -0.26 -0.78 -1.94 -1.20 -1.75 119.30 112.20 3nnk s MET 153 Ca 0.00 -0.39 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 3nnk s MET 153 Cb 0.00 -2.89 0.02 0.00 2.01 0.00 0.00 34.83 33.97 3nnk s MET 153 CO 0.00 0.69 -0.02 -1.17 -0.01 0.00 0.00 175.02 174.51 3nnk s LEU 154 N -1.26 3.40 -0.09 -0.03 1.98 0.11 -1.45 118.68 121.34 3nnk s LEU 154 Ca 0.17 -0.86 -0.30 0.00 -2.89 0.00 0.00 54.13 50.26 3nnk s LEU 154 Cb -0.12 -1.72 -0.02 0.00 0.66 0.00 0.00 46.19 44.99 3nnk s LEU 154 CO 0.07 -0.15 1.17 -1.58 -1.89 0.00 0.00 176.35 173.97 3nnk s GLN 155 N 1.36 4.33 0.28 1.98 2.00 0.13 -4.84 119.66 124.90 3nnk s GLN 155 Ca 0.00 1.61 -0.30 0.00 -2.00 0.00 0.00 55.36 54.67 3nnk s GLN 155 Cb -0.17 -3.60 -0.10 0.00 0.80 0.00 0.00 33.01 29.94 3nnk s GLN 155 CO -0.03 -0.49 1.45 -2.14 -0.50 0.00 0.00 175.29 173.59 3nnk s PRO 156 N 2.48 4.24 -0.00 1.67 0.02 -1.26 -4.83 135.00 137.32 3nnk s PRO 156 Ca 0.54 2.35 0.01 0.00 0.02 0.00 0.00 61.00 63.92 3nnk s PRO 156 Cb -0.22 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 3nnk s PRO 156 CO 0.19 -0.43 0.03 1.28 -0.33 0.00 0.00 177.00 177.74 3nnk n LEU 157 N 1.93 0.01 -0.24 -5.54 4.32 -1.26 -4.75 117.00 111.47 3nnk n LEU 157 Ca 0.06 -0.07 0.02 0.00 -0.02 0.00 0.00 56.01 56.00 3nnk n LEU 157 Cb 0.40 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.35 3nnk n LEU 157 CO 0.61 0.00 1.04 0.00 -1.22 0.00 0.00 177.39 177.82 3nnk h ALA 158 N 0.11 0.98 -0.20 -1.18 0.00 -1.91 -1.64 119.26 115.41 3nnk h ALA 158 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3nnk h ALA 158 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3nnk h ALA 158 CO 0.00 -0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.52 3nnk n GLU 159 N -4.93 1.79 -0.01 0.00 1.02 -1.26 -4.03 120.64 113.21 3nnk n GLU 159 Ca 0.12 -1.18 0.04 0.00 -0.02 0.00 0.00 57.16 56.11 3nnk n GLU 159 Cb 0.32 -1.39 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 3nnk n GLU 159 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3nnk n LEU 160 N 0.41 0.22 -0.05 -4.62 4.32 -0.62 -4.23 117.00 112.43 3nnk n LEU 160 Ca 0.16 0.09 -0.16 0.00 -0.02 0.00 0.00 56.01 56.09 3nnk n LEU 160 Cb 0.34 0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 3nnk n LEU 160 CO 0.13 0.13 0.39 1.23 -1.22 0.00 0.00 177.39 178.05 3nnk h GLY 161 N 3.96 0.79 0.26 -0.72 0.00 -1.58 -2.89 103.07 102.87 3nnk h GLY 161 Ca -0.17 -1.00 0.14 0.00 0.00 0.00 0.00 47.33 46.30 3nnk h GLY 161 CO 0.01 0.89 0.42 0.83 0.00 0.00 0.00 176.54 178.69 3nnk h GLU 162 N 0.42 0.60 -0.18 4.80 4.39 -1.79 -0.86 114.58 121.97 3nnk h GLU 162 Ca -0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3nnk h GLU 162 Cb 1.17 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 3nnk h GLU 162 CO 0.12 0.39 0.01 0.82 -1.16 0.00 0.00 179.01 179.20 3nnk h ILE 163 N 0.61 1.24 -0.72 3.13 2.04 -1.72 -1.78 117.51 120.31 3nnk h ILE 163 Ca 0.44 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3nnk h ILE 163 Cb 0.60 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3nnk h ILE 163 CO -0.35 0.24 0.29 0.00 0.00 0.00 0.00 178.15 178.32 3nnk h ARG 165 N 1.04 0.28 -0.19 0.00 2.43 -1.09 0.26 114.38 117.12 3nnk h ARG 165 Ca 0.24 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3nnk h ARG 165 Cb 0.20 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3nnk h ARG 165 CO -0.02 0.19 0.09 0.00 -1.51 0.00 0.00 179.97 178.71 3nnk h ARG 166 N 0.29 0.19 -0.64 0.20 3.08 -0.84 -3.11 114.38 113.55 3nnk h ARG 166 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3nnk h ARG 166 Cb 0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3nnk h ARG 166 CO -0.09 0.12 0.00 0.66 -1.07 0.00 0.00 179.97 179.59 3nnk n TYR 167 N -5.01 1.13 -3.68 3.04 4.01 -0.61 -4.95 117.16 111.09 3nnk n TYR 167 Ca -0.03 -0.49 -0.21 0.00 -0.16 0.00 0.00 57.90 57.01 3nnk n TYR 167 Cb 0.05 -0.13 0.04 0.00 -0.31 0.00 0.00 39.34 39.00 3nnk n TYR 167 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nnk n ASP 168 N 1.15 -1.68 -4.69 7.72 4.64 -0.07 -4.99 116.55 118.62 3nnk n ASP 168 Ca 0.22 -0.78 -0.32 0.00 -1.38 0.00 0.00 54.79 52.53 3nnk n ASP 168 Cb 0.69 -4.22 -0.08 0.00 -1.04 0.00 0.00 41.12 36.47 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 -3.59 3.32 -0.10 -1.67 0.00 0.72 -4.91 121.76 115.53 3nnk s ALA 169 Ca 0.07 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 3nnk s ALA 169 Cb -0.03 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 3nnk s ALA 169 CO 0.80 0.67 0.88 -0.51 0.00 0.00 0.00 175.76 177.60 3nnk s LEU 170 N -1.79 4.26 -0.41 0.00 1.43 0.58 -4.45 118.68 118.30 3nnk s LEU 170 Ca 0.22 1.36 -0.14 0.00 -1.03 0.00 0.00 54.13 54.53 3nnk s LEU 170 Cb -0.12 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.78 3nnk s LEU 170 CO 0.13 -0.33 0.29 0.12 0.23 0.00 0.00 176.35 176.79 3nnk s PHE 171 N 1.65 3.24 0.03 0.29 5.36 -1.26 -1.00 117.98 126.29 3nnk s PHE 171 Ca 0.43 -0.70 0.06 0.00 -0.96 0.00 0.00 56.93 55.77 3nnk s PHE 171 Cb -0.18 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.86 3nnk s PHE 171 CO 0.18 -0.62 -0.17 -0.47 -1.46 0.00 0.00 175.22 172.68 3nnk s TYR 172 N 1.65 2.59 0.01 10.12 6.14 -0.99 0.59 117.35 137.46 3nnk s TYR 172 Ca 0.04 -0.24 0.03 0.00 0.64 0.00 0.00 57.07 57.55 3nnk s TYR 172 Cb -0.19 -1.49 -0.01 0.00 0.42 0.00 0.00 41.96 40.68 3nnk s TYR 172 CO 0.09 0.24 -0.10 -0.08 0.64 0.00 0.00 175.55 176.34 3nnk s THR 173 N -0.90 0.81 -0.46 4.34 -1.32 -0.56 -2.25 115.64 115.31 3nnk s THR 173 Ca 0.14 -0.63 -0.21 0.00 -1.21 0.00 0.00 61.69 59.78 3nnk s THR 173 Cb -0.11 -0.72 0.03 0.00 -1.51 0.00 0.00 72.50 70.20 3nnk s THR 173 CO 0.05 0.09 0.68 -0.62 -2.21 0.00 0.00 174.62 172.60 3nnk s ASP 174 N -0.62 6.32 -0.16 8.08 2.15 0.12 -2.50 116.67 130.05 3nnk s ASP 174 Ca 0.02 -0.42 0.17 0.00 0.43 0.00 0.00 52.55 52.75 3nnk s ASP 174 Cb -0.05 -2.33 0.40 0.00 -0.30 0.00 0.00 42.92 40.63 3nnk s ASP 174 CO 0.00 -0.85 1.27 0.00 -0.17 0.00 0.00 175.17 175.42 3nnk n ALA 175 N 6.39 2.74 -0.27 3.66 0.00 -0.46 -0.84 120.51 131.74 3nnk n ALA 175 Ca -0.02 -2.60 0.01 0.00 0.00 0.00 0.00 53.44 50.83 3nnk n ALA 175 Cb 0.47 -0.52 0.22 0.00 0.00 0.00 0.00 19.45 19.62 3nnk n ALA 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3nnk h THR 176 N 0.75 1.18 0.00 0.00 1.35 -1.88 -0.32 112.91 114.00 3nnk h THR 176 Ca 0.01 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3nnk h THR 176 Cb 1.20 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3nnk h THR 176 CO 0.10 0.20 -0.48 0.00 -0.25 0.00 0.00 175.52 175.09 3nnk n ALA 177 N -2.41 3.35 -0.03 6.62 0.00 -1.26 -4.28 120.51 122.50 3nnk n ALA 177 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 3nnk n ALA 177 Cb 0.06 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 3nnk n ALA 177 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3nnk n SER 178 N -1.59 3.43 -4.67 0.00 3.41 -0.95 -4.66 113.62 108.60 3nnk n SER 178 Ca 0.05 -0.01 -0.46 0.00 -0.26 0.00 0.00 58.87 58.20 3nnk n SER 178 Cb 0.35 0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.30 3.06 0.00 1.04 7.94 -0.17 -0.64 117.00 125.93 3nnk n LEU 179 Ca -0.11 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3nnk n LEU 179 Cb 0.70 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.23 3nnk n LEU 179 CO 0.13 -0.31 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 3nnk n GLY 180 N 3.40 2.55 0.00 -3.96 0.00 -1.26 -4.37 105.19 101.55 3nnk n GLY 180 Ca 0.17 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.65 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N 0.00 -1.03 3.02 -0.02 0.00 -0.89 -3.75 105.19 102.52 3nnk n GLY 181 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.11 0.19 0.32 1.61 0.01 0.18 -4.63 114.94 109.52 3nnk s ASN 182 Ca 0.07 -0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 51.50 3nnk s ASN 182 Cb 0.16 0.14 -0.12 0.00 0.41 0.00 0.00 41.25 41.83 3nnk s ASN 182 CO 0.86 -0.34 1.37 -2.65 -1.51 0.00 0.00 177.10 174.83 3nnk n PRO 183 N 1.48 2.23 -3.30 -0.60 -0.02 -1.26 -4.62 135.00 128.91 3nnk n PRO 183 Ca -0.23 0.79 -0.07 0.00 -2.02 0.00 0.00 63.50 61.96 3nnk n PRO 183 Cb 0.55 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 3nnk n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3nnk s LEU 184 N -0.87 -0.82 -1.02 2.45 2.96 -1.26 -4.99 118.68 115.13 3nnk s LEU 184 Ca 0.58 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.50 3nnk s LEU 184 Cb -0.57 1.27 0.26 0.00 0.50 0.00 0.00 46.19 47.65 3nnk s LEU 184 CO 0.59 -0.32 1.00 -0.62 -1.32 0.00 0.00 176.35 175.68 3nnk n GLU 185 N 5.37 3.22 -0.18 1.98 -0.58 -1.26 -4.45 120.64 124.74 3nnk n GLU 185 Ca -0.01 -4.48 -0.04 0.00 -0.42 0.00 0.00 57.16 52.21 3nnk n GLU 185 Cb 0.50 -2.49 0.03 0.00 -0.57 0.00 0.00 31.44 28.91 3nnk n GLU 185 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3nnk h THR 186 N 3.78 0.30 -0.01 2.62 2.02 -1.48 0.17 112.91 120.30 3nnk h THR 186 Ca 0.18 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 3nnk h THR 186 Cb 0.83 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3nnk h THR 186 CO 0.97 0.00 -0.21 0.44 0.37 0.00 0.00 175.52 177.09 3nnk h ASP 187 N -0.10 0.21 -0.81 4.18 5.19 -1.82 -1.21 116.42 122.05 3nnk h ASP 187 Ca 0.25 -0.73 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 3nnk h ASP 187 Cb 0.50 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 3nnk h ASP 187 CO -0.62 0.91 0.37 -0.37 -3.12 0.00 0.00 179.24 176.42 3nnk h VAL 188 N -0.48 1.26 -0.12 -1.35 -1.51 -1.79 -2.52 116.25 109.74 3nnk h VAL 188 Ca -0.02 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3nnk h VAL 188 Cb 0.93 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 3nnk h VAL 188 CO 0.04 0.32 0.00 0.79 -1.23 0.00 0.00 177.57 177.49 3nnk n TRP 189 N -4.30 0.16 -1.31 5.19 8.01 0.58 -4.91 117.44 120.86 3nnk n TRP 189 Ca 0.08 -0.08 -0.10 0.00 -1.31 0.00 0.00 57.50 56.09 3nnk n TRP 189 Cb 0.15 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.41 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 0.86 1.11 3.75 6.99 0.00 -0.95 -3.50 105.19 113.44 3nnk n GLY 190 Ca 0.10 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.25 4.39 -0.17 0.99 1.43 -0.46 -4.73 118.68 117.88 3nnk s LEU 191 Ca 0.00 2.66 0.16 0.00 -1.03 0.00 0.00 54.13 55.92 3nnk s LEU 191 Cb 0.00 -3.63 -0.24 0.00 0.03 0.00 0.00 46.19 42.35 3nnk s LEU 191 CO 0.00 -0.68 0.19 0.47 0.23 0.00 0.00 176.35 176.56 3nnk n ASP 192 N 2.20 0.34 -3.81 2.29 8.00 0.20 -4.65 116.55 121.11 3nnk n ASP 192 Ca 0.06 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 3nnk n ASP 192 Cb 0.40 0.66 -0.12 0.00 -0.02 0.00 0.00 41.12 42.04 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 -2.52 -0.43 -0.03 2.24 0.00 -0.78 -1.13 121.76 119.11 3nnk s ALA 193 Ca -0.10 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.38 3nnk s ALA 193 Cb 0.07 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3nnk s ALA 193 CO 0.82 -0.09 -0.04 0.08 0.00 0.00 0.00 175.76 176.53 3nnk s VAL 194 N 0.17 0.43 0.07 0.00 1.01 -0.79 -1.49 120.40 119.80 3nnk s VAL 194 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 61.96 3nnk s VAL 194 Cb -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 3nnk s VAL 194 CO -0.00 0.18 -0.22 -0.94 0.00 0.00 0.00 175.10 174.12 3nnk s SER 195 N 0.70 3.55 0.20 3.32 1.04 -1.04 -1.19 113.70 120.27 3nnk s SER 195 Ca -0.09 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.81 3nnk s SER 195 Cb -0.12 -0.43 -0.01 0.00 0.10 0.00 0.00 66.02 65.56 3nnk s SER 195 CO -0.00 0.23 0.21 0.00 0.98 0.00 0.00 173.24 174.65 3nnk n ALA 196 N 1.34 0.18 -2.51 5.32 0.00 0.34 -1.35 120.51 123.82 3nnk n ALA 196 Ca -0.17 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.12 3nnk n ALA 196 Cb 0.52 0.85 -0.08 0.00 0.00 0.00 0.00 19.45 20.74 3nnk n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nnk s GLY 197 N -2.31 0.85 -0.07 0.00 0.00 -1.26 -3.52 107.32 101.02 3nnk s GLY 197 Ca 0.21 -1.23 -0.06 0.00 0.00 0.00 0.00 44.72 43.63 3nnk s GLY 197 CO 0.15 -1.08 0.57 -0.33 0.00 0.00 0.00 173.10 172.40 3nnk h MET 198 N 2.60 0.29 -1.85 2.90 0.00 -1.81 -3.43 114.93 113.65 3nnk h MET 198 Ca -0.33 -0.50 -0.18 0.00 0.00 0.00 0.00 59.70 58.69 3nnk h MET 198 Cb 1.23 0.19 -0.07 0.00 0.00 0.00 0.00 31.60 32.95 3nnk h MET 198 CO 0.50 1.19 0.11 0.00 0.00 0.00 0.00 176.91 178.72 3nnk n GLN 199 N -3.49 1.54 -0.09 1.72 0.00 -1.23 0.04 117.38 115.87 3nnk n GLN 199 Ca -0.26 -0.87 0.25 0.00 0.00 0.00 0.00 57.00 56.12 3nnk n GLN 199 Cb 1.06 -1.45 0.60 0.00 0.00 0.00 0.00 30.24 30.45 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 0.87 -2.78 0.00 4.07 -1.76 -3.26 115.31 112.45 3nnk h LEU 202 Ca 0.37 -0.52 -0.15 0.00 0.08 0.00 0.00 57.88 57.66 3nnk h LEU 202 Cb 2.09 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 43.59 3nnk h LEU 202 CO -0.00 1.22 -0.80 0.61 -1.08 0.00 0.00 178.44 178.39 3nnk n GLY 203 N 0.32 -0.84 0.00 0.83 0.00 0.11 -4.85 105.19 100.75 3nnk n GLY 203 Ca -0.04 1.17 0.00 0.00 0.00 0.00 0.00 46.02 47.15 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -0.18 0.76 3.87 -0.02 0.00 -1.26 -2.33 105.19 106.04 3nnk n GLY 204 Ca 0.04 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N -0.04 3.82 0.50 1.61 0.04 -1.26 -3.57 135.00 136.10 3nnk s PRO 205 Ca 0.00 0.38 -0.22 0.00 0.04 0.00 0.00 61.00 61.20 3nnk s PRO 205 Cb 0.00 -2.54 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 3nnk s PRO 205 CO 0.00 0.19 1.20 -1.54 0.04 0.00 0.00 177.00 176.89 3nnk s SER 206 N -2.62 5.86 0.00 6.66 1.04 -1.26 -4.27 113.70 119.12 3nnk s SER 206 Ca 0.49 2.39 0.00 0.00 0.48 0.00 0.00 55.95 59.31 3nnk s SER 206 Cb -0.11 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3nnk s SER 206 CO 0.23 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3nnk n GLY 207 N 0.48 0.45 3.11 7.32 0.00 -1.26 -4.98 105.19 110.30 3nnk n GLY 207 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 3nnk n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nnk s THR 208 N 0.00 0.92 -0.28 2.61 2.01 -1.03 -1.66 115.64 118.21 3nnk s THR 208 Ca 0.00 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.04 3nnk s THR 208 Cb 0.00 -0.86 0.08 0.00 0.01 0.00 0.00 72.50 71.73 3nnk s THR 208 CO 0.00 -0.10 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.27 3nnk s SER 209 N -1.21 4.26 0.06 3.53 0.15 -0.35 -3.72 113.70 116.43 3nnk s SER 209 Ca -0.01 -1.57 -0.31 0.00 0.70 0.00 0.00 55.95 54.76 3nnk s SER 209 Cb -0.08 -1.34 -0.06 0.00 -1.71 0.00 0.00 66.02 62.82 3nnk s SER 209 CO 0.01 -0.29 1.35 -2.84 1.20 0.00 0.00 173.24 172.67 3nnk s PRO 210 N 1.22 4.33 0.21 5.44 0.02 -1.23 -0.39 135.00 144.60 3nnk s PRO 210 Ca 0.01 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.06 3nnk s PRO 210 Cb -0.19 -3.40 -0.05 0.00 0.02 0.00 0.00 34.50 30.88 3nnk s PRO 210 CO -0.09 -0.46 -0.10 0.96 -0.33 0.00 0.00 177.00 176.98 3nnk s ILE 211 N 1.64 1.55 -0.05 2.83 -4.36 0.23 -0.50 121.20 122.53 3nnk s ILE 211 Ca 0.63 -2.15 -0.07 0.00 -0.26 0.00 0.00 60.65 58.81 3nnk s ILE 211 Cb -0.33 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.26 3nnk s ILE 211 CO 0.28 -0.52 0.17 0.28 0.24 0.00 0.00 174.94 175.39 3nnk s THR 212 N -3.09 0.02 -0.07 8.37 -1.32 -0.33 -1.29 115.64 117.93 3nnk s THR 212 Ca 0.24 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.56 3nnk s THR 212 Cb 0.01 -0.30 0.02 0.00 -1.51 0.00 0.00 72.50 70.72 3nnk s THR 212 CO 0.07 -0.09 -0.09 -0.76 -2.21 0.00 0.00 174.62 171.53 3nnk s LEU 213 N -0.28 1.48 0.99 9.08 1.43 -0.50 -1.89 118.68 128.98 3nnk s LEU 213 Ca -0.04 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3nnk s LEU 213 Cb -0.03 -0.72 0.18 0.00 0.03 0.00 0.00 46.19 45.65 3nnk s LEU 213 CO 0.01 -0.02 1.09 -0.94 0.23 0.00 0.00 176.35 176.72 3nnk s SER 214 N 0.91 2.66 0.28 2.29 1.04 -0.28 -4.30 113.70 116.29 3nnk s SER 214 Ca -0.10 1.32 0.01 0.00 0.48 0.00 0.00 55.95 57.66 3nnk s SER 214 Cb -0.15 -2.00 0.57 0.00 0.10 0.00 0.00 66.02 64.54 3nnk s SER 214 CO 0.01 -3.13 1.80 0.00 0.98 0.00 0.00 173.24 172.90 3nnk h ALA 215 N -1.89 1.45 -0.58 5.32 0.00 -1.96 -2.02 119.26 119.59 3nnk h ALA 215 Ca -0.54 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3nnk h ALA 215 Cb 1.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3nnk h ALA 215 CO 0.56 0.08 -0.01 -0.09 0.00 0.00 0.00 179.25 179.78 3nnk h ARG 216 N 0.83 1.03 -0.50 0.00 2.43 -1.94 -3.11 114.38 113.13 3nnk h ARG 216 Ca 0.50 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3nnk h ARG 216 Cb 0.61 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3nnk h ARG 216 CO -0.31 1.02 0.06 0.52 -1.51 0.00 0.00 179.97 179.76 3nnk h MET 217 N 0.92 0.84 0.00 0.20 2.86 -1.64 -2.78 114.93 115.34 3nnk h MET 217 Ca 0.16 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3nnk h MET 217 Cb 0.56 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3nnk h MET 217 CO 0.03 0.85 -0.23 1.05 1.06 0.00 0.00 176.91 179.67 3nnk h GLU 218 N 0.72 0.00 -0.39 1.72 4.11 -1.50 -2.46 114.58 116.78 3nnk h GLU 218 Ca 0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.54 3nnk h GLU 218 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3nnk h GLU 218 CO 0.01 0.23 0.09 1.49 0.07 0.00 0.00 179.01 180.90 3nnk h GLU 219 N 0.00 0.63 -0.11 1.06 4.81 -1.42 0.30 114.58 119.84 3nnk h GLU 219 Ca -0.00 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3nnk h GLU 219 Cb 0.45 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3nnk h GLU 219 CO 0.03 0.66 -0.16 0.00 -0.73 0.00 0.00 179.01 178.81 3nnk h ALA 220 N 0.94 1.53 0.13 2.92 0.00 -1.29 -1.84 119.26 121.65 3nnk h ALA 220 Ca 0.12 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 3nnk h ALA 220 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3nnk h ALA 220 CO 0.00 0.34 -1.33 0.82 0.00 0.00 0.00 179.25 179.08 3nnk h ILE 221 N 0.17 1.40 0.00 0.00 2.04 -1.18 -3.28 117.51 116.66 3nnk h ILE 221 Ca 0.03 -2.98 -0.05 0.00 1.00 0.00 0.00 64.86 62.86 3nnk h ILE 221 Cb 0.39 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 3nnk h ILE 221 CO 0.02 0.87 -0.26 0.03 0.00 0.00 0.00 178.15 178.82 3nnk h ARG 222 N 0.07 0.00 0.00 2.37 -0.00 -0.18 -2.12 114.38 114.53 3nnk h ARG 222 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.31 3nnk h ARG 222 Cb 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.96 3nnk h ARG 222 CO 0.19 0.26 0.00 0.00 0.00 0.00 0.00 179.97 180.42 3nnk h ARG 223 N 0.00 0.00 -0.01 0.04 3.08 -1.40 -2.65 114.38 113.45 3nnk h ARG 223 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nnk h ARG 223 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3nnk h ARG 223 CO 0.03 0.00 -0.65 0.54 -1.07 0.00 0.00 179.97 178.82 3nnk n ARG 224 N -2.39 0.73 -1.50 0.04 5.12 -0.80 -0.70 116.66 117.16 3nnk n ARG 224 Ca 0.01 -0.60 -0.58 0.00 -1.93 0.00 0.00 57.85 54.76 3nnk n ARG 224 Cb 0.19 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 29.93 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 -0.62 0.09 -3.16 5.56 4.81 -1.00 -4.26 118.16 119.58 3nnk n LYS 225 Ca 0.07 0.03 0.03 0.00 -0.87 0.00 0.00 58.31 57.58 3nnk n LYS 225 Cb 0.41 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 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 2.81 4.74 0.24 0.00 1.01 -1.26 -4.96 120.40 122.98 3nnk s VAL 227 Ca 0.11 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 63.70 3nnk s VAL 227 Cb -0.11 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 3nnk s VAL 227 CO -0.26 0.26 1.37 1.21 0.00 0.00 0.00 175.10 177.68 3nnk n GLU 228 N 3.30 1.95 -0.30 2.72 0.00 -1.26 -4.65 120.64 122.40 3nnk n GLU 228 Ca 0.02 0.69 0.12 0.00 0.00 0.00 0.00 57.16 58.00 3nnk n GLU 228 Cb 0.50 -2.32 0.26 0.00 0.00 0.00 0.00 31.44 29.88 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 3.97 0.10 0.00 5.31 4.81 -1.94 -0.14 114.58 126.69 3nnk h GLU 229 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3nnk h GLU 229 Cb 1.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3nnk h GLU 229 CO 0.74 0.07 0.00 0.41 -0.73 0.00 0.00 179.01 179.50 3nnk n GLY 230 N -1.43 -1.24 0.01 1.92 0.00 -1.26 -2.82 105.19 100.36 3nnk n GLY 230 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3nnk n GLY 230 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3nnk n ILE 231 N -2.28 0.55 -2.83 -0.61 -5.35 -0.46 -5.06 119.36 103.33 3nnk n ILE 231 Ca 0.02 -0.55 -0.41 0.00 -0.27 0.00 0.00 62.75 61.54 3nnk n ILE 231 Cb 0.21 0.72 -0.05 0.00 -1.74 0.00 0.00 39.64 38.78 3nnk n ILE 231 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3nnk s ARG 232 N -0.56 4.63 0.44 6.28 3.52 -0.19 -4.91 118.95 128.15 3nnk s ARG 232 Ca 0.00 1.30 0.06 0.00 -0.13 0.00 0.00 55.73 56.97 3nnk s ARG 232 Cb 0.00 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 3nnk s ARG 232 CO 0.00 0.26 0.08 0.95 -0.81 0.00 0.00 175.30 175.78 3nnk s THR 233 N -0.11 1.90 -0.06 4.11 -4.23 -1.26 -4.99 115.64 110.99 3nnk s THR 233 Ca 0.43 -1.89 0.28 0.00 -1.18 0.00 0.00 61.69 59.33 3nnk s THR 233 Cb -0.22 -2.79 0.28 0.00 1.34 0.00 0.00 72.50 71.11 3nnk s THR 233 CO 0.27 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.64 3nnk h ASP 234 N 1.54 0.00 0.61 3.99 3.32 -2.03 -1.92 116.42 121.93 3nnk h ASP 234 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3nnk h ASP 234 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3nnk h ASP 234 CO 0.75 0.00 -0.11 0.00 -1.72 0.00 0.00 179.24 178.17 3nnk n ALA 235 N -1.86 2.69 -2.68 3.45 0.00 -1.26 -4.80 120.51 116.04 3nnk n ALA 235 Ca -0.01 -0.20 -0.37 0.00 0.00 0.00 0.00 53.44 52.86 3nnk n ALA 235 Cb 0.11 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 3nnk n ALA 235 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3nnk s HIS 236 N -2.72 3.61 0.04 0.00 3.76 -0.72 -5.10 115.29 114.16 3nnk s HIS 236 Ca 0.22 0.74 0.02 0.00 -0.15 0.00 0.00 55.06 55.89 3nnk s HIS 236 Cb 0.19 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 3nnk s HIS 236 CO 0.52 0.55 -0.08 -0.98 -0.85 0.00 0.00 174.74 173.90 3nnk s ARG 237 N -0.60 0.52 0.81 1.40 1.70 -1.26 -4.90 118.95 116.62 3nnk s ARG 237 Ca 0.19 -0.68 -0.10 0.00 -0.47 0.00 0.00 55.73 54.66 3nnk s ARG 237 Cb -0.14 -0.31 0.08 0.00 -0.57 0.00 0.00 34.95 34.01 3nnk s ARG 237 CO 0.08 0.06 1.10 -0.51 -1.08 0.00 0.00 175.30 174.95 3nnk s ASP 238 N -1.39 4.07 0.88 -2.89 1.01 -1.26 -4.78 116.67 112.32 3nnk s ASP 238 Ca -0.08 1.90 -0.13 0.00 0.71 0.00 0.00 52.55 54.94 3nnk s ASP 238 Cb -0.09 -2.52 0.14 0.00 1.01 0.00 0.00 42.92 41.46 3nnk s ASP 238 CO 0.00 -2.32 1.24 -0.83 0.21 0.00 0.00 175.17 173.47 3nnk s GLY 239 N -3.22 1.70 0.46 0.21 0.00 -0.24 -4.91 107.32 101.33 3nnk s GLY 239 Ca 0.63 -0.99 0.30 0.00 0.00 0.00 0.00 44.72 44.65 3nnk s GLY 239 CO 0.57 -0.35 1.87 -0.55 0.00 0.00 0.00 173.10 174.63 3nnk h ASP 240 N -1.33 0.00 -1.73 1.64 3.32 -1.72 -3.46 116.42 113.15 3nnk h ASP 240 Ca -0.45 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.06 3nnk h ASP 240 Cb 1.28 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 3nnk h ASP 240 CO 0.50 0.00 -0.50 -1.61 -1.72 0.00 0.00 179.24 175.91 3nnk s GLU 241 N -3.50 2.33 0.64 3.56 2.02 0.12 -5.06 118.70 118.81 3nnk s GLU 241 Ca 0.03 -1.66 -0.18 0.00 0.02 0.00 0.00 54.97 53.18 3nnk s GLU 241 Cb 0.09 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 3nnk s GLU 241 CO 0.54 -0.01 1.28 -1.83 0.02 0.00 0.00 175.26 175.25 3nnk s GLU 242 N -3.90 2.63 0.75 1.61 -1.05 -1.26 -4.49 118.70 112.99 3nnk s GLU 242 Ca 0.40 2.02 -0.13 0.00 -0.15 0.00 0.00 54.97 57.11 3nnk s GLU 242 Cb -0.00 -1.86 0.05 0.00 -0.44 0.00 0.00 34.13 31.88 3nnk s GLU 242 CO 0.23 -1.53 1.15 0.00 0.95 0.00 0.00 175.26 176.07 3nnk s MET 243 N -3.37 2.11 -0.03 -4.83 0.23 -1.26 -4.65 119.30 107.50 3nnk s MET 243 Ca 0.82 1.53 -0.30 0.00 -1.03 0.00 0.00 55.69 56.71 3nnk s MET 243 Cb -0.36 -1.85 -0.03 0.00 -1.53 0.00 0.00 34.83 31.05 3nnk s MET 243 CO 0.38 -1.81 1.15 0.42 -2.03 0.00 0.00 175.02 173.13 3nnk s ILE 244 N -2.35 4.35 -1.42 3.16 1.01 -1.26 -4.94 121.20 119.76 3nnk s ILE 244 Ca 0.69 1.67 -0.09 0.00 0.00 0.00 0.00 60.65 62.92 3nnk s ILE 244 Cb -0.24 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 3nnk s ILE 244 CO 0.48 0.04 2.94 -1.22 0.00 0.00 0.00 174.94 177.18 3nnk n TYR 245 N 4.74 2.22 -3.49 3.97 4.01 -1.26 -4.66 117.16 122.68 3nnk n TYR 245 Ca 0.10 -2.90 0.03 0.00 -0.16 0.00 0.00 57.90 54.97 3nnk n TYR 245 Cb 0.47 -2.30 -0.05 0.00 -0.31 0.00 0.00 39.34 37.15 3nnk n TYR 245 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3nnk s SER 246 N 1.85 -0.08 0.05 7.72 0.15 -1.26 -5.05 113.70 117.08 3nnk s SER 246 Ca 0.67 0.12 -0.15 0.00 0.70 0.00 0.00 55.95 57.29 3nnk s SER 246 Cb 0.20 1.05 -0.29 0.00 -1.71 0.00 0.00 66.02 65.28 3nnk s SER 246 CO -0.06 -0.02 1.10 -1.13 1.20 0.00 0.00 173.24 174.33 3nnk h ASN 247 N 5.81 0.86 0.81 5.45 -1.24 -1.98 -2.89 115.58 122.40 3nnk h ASN 247 Ca -0.22 -0.82 -0.11 0.00 0.71 0.00 0.00 56.30 55.87 3nnk h ASN 247 Cb 1.15 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.91 3nnk h ASN 247 CO 0.18 1.59 -0.50 0.22 -1.29 0.00 0.00 177.43 177.62 3nnk h TYR 248 N 0.24 0.00 -0.33 0.67 3.20 -1.97 -3.24 116.97 115.55 3nnk h TYR 248 Ca -0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.69 3nnk h TYR 248 Cb 1.86 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.13 3nnk h TYR 248 CO 0.12 0.50 0.00 1.19 -1.64 0.00 0.00 178.16 178.33 3nnk n PHE 249 N -3.60 0.85 -2.33 -3.82 3.72 -1.25 -4.89 117.46 106.14 3nnk n PHE 249 Ca -0.00 -0.73 -0.38 0.00 -0.05 0.00 0.00 57.45 56.29 3nnk n PHE 249 Cb 0.58 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 3nnk n PHE 249 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3nnk s ASP 250 N -1.51 5.83 0.51 4.37 -1.08 -1.09 -4.46 116.67 119.24 3nnk s ASP 250 Ca 0.37 -0.52 0.34 0.00 -0.52 0.00 0.00 52.55 52.22 3nnk s ASP 250 Cb 0.27 -2.55 1.62 0.00 -1.46 0.00 0.00 42.92 40.79 3nnk s ASP 250 CO 0.12 -2.06 2.02 -0.07 0.52 0.00 0.00 175.17 175.70 3nnk h LEU 251 N 14.71 0.00 0.03 -1.34 3.38 -1.90 -2.12 115.31 128.07 3nnk h LEU 251 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3nnk h LEU 251 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3nnk h LEU 251 CO 1.29 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 181.03 3nnk h GLY 252 N 1.14 -0.04 1.68 0.83 0.00 -1.88 -0.86 103.07 103.94 3nnk h GLY 252 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 3nnk h GLY 252 CO 0.00 -0.02 -0.37 -0.33 0.00 0.00 0.00 176.54 175.83 3nnk h MET 253 N -0.21 0.36 -0.63 4.80 2.86 -1.77 -2.35 114.93 118.00 3nnk h MET 253 Ca -0.00 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 3nnk h MET 253 Cb 0.19 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3nnk h MET 253 CO 0.01 0.68 0.22 0.28 1.06 0.00 0.00 176.91 179.16 3nnk h VAL 254 N 0.31 1.24 -0.35 -2.22 2.07 -1.37 -1.96 116.25 113.96 3nnk h VAL 254 Ca 0.03 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3nnk h VAL 254 Cb 0.79 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3nnk h VAL 254 CO 0.06 0.31 0.21 0.24 0.02 0.00 0.00 177.57 178.41 3nnk h MET 255 N 0.89 0.41 -0.52 1.57 2.86 -0.91 -1.59 114.93 117.64 3nnk h MET 255 Ca 0.20 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3nnk h MET 255 Cb 0.25 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3nnk h MET 255 CO -0.01 0.27 0.34 -0.44 1.06 0.00 0.00 176.91 178.14 3nnk h ASP 256 N 0.42 0.56 -0.22 1.22 3.32 -1.25 0.29 116.42 120.77 3nnk h ASP 256 Ca 0.14 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3nnk h ASP 256 Cb -0.00 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3nnk h ASP 256 CO -0.06 0.40 -0.00 0.22 -1.72 0.00 0.00 179.24 178.08 3nnk h TYR 257 N 0.66 0.42 0.00 4.55 3.20 -0.93 -1.61 116.97 123.26 3nnk h TYR 257 Ca 0.20 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3nnk h TYR 257 Cb -0.01 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3nnk h TYR 257 CO -0.00 0.57 0.00 0.91 -1.64 0.00 0.00 178.16 178.00 3nnk n TRP 258 N -4.67 0.57 -2.38 -3.82 7.02 -0.64 -4.18 117.44 109.35 3nnk n TRP 258 Ca -0.04 0.17 -0.16 0.00 -1.02 0.00 0.00 57.50 56.44 3nnk n TRP 258 Cb 0.24 -0.77 0.09 0.00 -2.42 0.00 0.00 31.31 28.44 3nnk n TRP 258 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3nnk n GLY 259 N 1.36 0.42 0.31 6.99 0.00 0.98 -4.96 105.19 110.30 3nnk n GLY 259 Ca 0.06 -1.97 0.18 0.00 0.00 0.00 0.00 46.02 44.29 3nnk n GLY 259 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nnk h PRO 260 N 0.00 0.00 -0.02 1.61 0.13 -1.88 -2.22 132.00 129.63 3nnk h PRO 260 Ca -0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 3nnk h PRO 260 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 3nnk h PRO 260 CO 0.24 0.01 -0.61 1.49 -0.23 0.00 0.00 178.00 178.90 3nnk h GLU 261 N 0.00 0.06 -5.98 0.86 4.81 -1.92 -3.48 114.58 108.93 3nnk h GLU 261 Ca -0.00 -0.04 -0.41 0.00 -0.13 0.00 0.00 59.36 58.78 3nnk h GLU 261 Cb 0.06 0.01 0.08 0.00 0.63 0.00 0.00 28.75 29.52 3nnk h GLU 261 CO 0.00 0.65 -0.77 0.54 -0.73 0.00 0.00 179.01 178.70 3nnk n ARG 262 N -3.83 -6.12 -1.93 1.92 5.12 -0.67 -4.91 116.66 106.25 3nnk n ARG 262 Ca -0.01 0.71 -0.42 0.00 -1.93 0.00 0.00 57.85 56.20 3nnk n ARG 262 Cb 0.61 -5.56 -0.03 0.00 -1.16 0.00 0.00 32.46 26.32 3nnk n ARG 262 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3nnk s LEU 263 N -6.88 4.36 -1.23 0.55 1.98 -0.82 -4.85 118.68 111.80 3nnk s LEU 263 Ca 0.28 2.48 -0.20 0.00 -2.89 0.00 0.00 54.13 53.79 3nnk s LEU 263 Cb -0.13 -3.56 -0.02 0.00 0.66 0.00 0.00 46.19 43.14 3nnk s LEU 263 CO 0.78 -0.89 1.86 -3.20 -1.89 0.00 0.00 176.35 173.01 3nnk n ASN 264 N 5.66 3.90 0.04 3.68 2.85 -1.26 -3.84 115.26 126.29 3nnk n ASN 264 Ca 0.16 -2.80 -0.22 0.00 -0.11 0.00 0.00 54.58 51.61 3nnk n ASN 264 Cb 0.41 -1.72 -0.14 0.00 1.24 0.00 0.00 39.78 39.56 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 8.58 0.59 -2.89 1.20 -0.00 -1.90 -3.48 115.15 117.24 3nnk h HIS 265 Ca 0.34 -0.43 0.01 0.00 -0.00 0.00 0.00 60.37 60.29 3nnk h HIS 265 Cb 0.89 -0.02 -0.12 0.00 -0.00 0.00 0.00 27.41 28.16 3nnk h HIS 265 CO 1.31 1.65 0.26 -3.38 -0.00 0.00 0.00 177.93 177.77 3nnk s HIS 266 N -2.54 -0.47 -0.52 5.26 -3.43 -1.26 -5.05 115.29 107.28 3nnk s HIS 266 Ca -0.18 0.23 -0.29 0.00 -0.80 0.00 0.00 55.06 54.03 3nnk s HIS 266 Cb 0.05 0.58 0.03 0.00 -1.43 0.00 0.00 32.58 31.81 3nnk s HIS 266 CO 0.81 -0.85 1.17 0.99 -2.00 0.00 0.00 174.74 174.85 3nnk s THR 267 N -3.68 4.11 0.22 -5.38 2.01 -1.26 -4.98 115.64 106.69 3nnk s THR 267 Ca 0.03 1.08 -0.32 0.00 0.31 0.00 0.00 61.69 62.79 3nnk s THR 267 Cb -0.02 -4.66 -0.14 0.00 0.01 0.00 0.00 72.50 67.70 3nnk s THR 267 CO -0.10 -1.16 1.34 1.21 -0.69 0.00 0.00 174.62 175.22 3nnk n GLU 268 N 8.12 1.80 -1.96 4.92 4.07 -1.26 -4.83 120.64 131.51 3nnk n GLU 268 Ca 0.11 0.64 -0.36 0.00 -0.06 0.00 0.00 57.16 57.49 3nnk n GLU 268 Cb 0.49 -2.26 -0.03 0.00 -0.06 0.00 0.00 31.44 29.58 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 -0.09 1.97 0.08 4.31 0.00 -1.26 -4.87 121.76 121.91 3nnk s ALA 269 Ca 0.70 -0.68 -0.33 0.00 0.00 0.00 0.00 51.96 51.65 3nnk s ALA 269 Cb -0.70 -4.36 -0.16 0.00 0.00 0.00 0.00 23.12 17.90 3nnk s ALA 269 CO 0.50 -4.18 1.61 1.15 0.00 0.00 0.00 175.76 174.84 3nnk h THR 270 N 7.08 0.26 -0.68 0.00 2.02 -1.97 -0.85 112.91 118.78 3nnk h THR 270 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3nnk h THR 270 Cb 1.15 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3nnk h THR 270 CO 1.20 0.00 0.44 0.74 0.37 0.00 0.00 175.52 178.27 3nnk h THR 271 N -0.86 1.18 -0.40 3.16 2.02 -1.92 -1.37 112.91 114.71 3nnk h THR 271 Ca -0.06 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 3nnk h THR 271 Cb 0.72 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3nnk h THR 271 CO 0.04 0.18 0.07 0.00 0.37 0.00 0.00 175.52 176.17 3nnk h ALA 272 N 1.24 1.38 -0.57 6.16 0.00 -1.94 -0.91 119.26 124.63 3nnk h ALA 272 Ca 0.25 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3nnk h ALA 272 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3nnk h ALA 272 CO -0.05 0.44 -0.01 1.25 0.00 0.00 0.00 179.25 180.87 3nnk h LEU 273 N 0.58 0.99 -0.74 0.00 6.46 -0.48 0.93 115.31 123.05 3nnk h LEU 273 Ca 0.13 -0.31 0.01 0.00 -0.12 0.00 0.00 57.88 57.59 3nnk h LEU 273 Cb 0.26 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 3nnk h LEU 273 CO 0.00 1.07 0.48 -0.26 -0.62 0.00 0.00 178.44 179.11 3nnk h PHE 274 N 0.90 0.91 -0.32 1.25 0.04 -0.77 0.65 116.94 119.61 3nnk h PHE 274 Ca 0.16 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3nnk h PHE 274 Cb 0.56 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3nnk h PHE 274 CO 0.04 0.56 0.18 0.78 -0.60 0.00 0.00 178.31 179.27 3nnk h GLY 275 N 0.98 0.47 1.32 -1.45 0.00 -0.81 -2.44 103.07 101.14 3nnk h GLY 275 Ca 0.28 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 47.22 3nnk h GLY 275 CO -0.07 0.20 -0.57 0.00 0.00 0.00 0.00 176.54 176.10 3nnk h ALA 276 N 1.06 0.56 -0.64 3.60 0.00 -0.61 -1.83 119.26 121.39 3nnk h ALA 276 Ca 0.11 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3nnk h ALA 276 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3nnk h ALA 276 CO -0.02 0.69 0.42 -0.09 0.00 0.00 0.00 179.25 180.25 3nnk h ARG 277 N 0.54 0.84 -0.16 0.00 2.43 -0.87 -2.73 114.38 114.43 3nnk h ARG 277 Ca 0.01 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3nnk h ARG 277 Cb 1.15 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3nnk h ARG 277 CO 0.12 0.56 -0.04 0.93 -1.51 0.00 0.00 179.97 180.03 3nnk h GLU 278 N 0.87 0.30 -0.48 0.20 4.39 -1.35 -1.26 114.58 117.25 3nnk h GLU 278 Ca 0.24 -0.11 0.09 0.00 0.34 0.00 0.00 59.36 59.92 3nnk h GLU 278 Cb -0.09 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.44 3nnk h GLU 278 CO -0.06 0.58 -0.27 0.00 -1.16 0.00 0.00 179.01 178.10 3nnk h ALA 280 N 1.05 0.89 -0.37 0.00 0.00 -1.49 -1.75 119.26 117.59 3nnk h ALA 280 Ca 0.21 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3nnk h ALA 280 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3nnk h ALA 280 CO -0.58 0.64 -0.27 -0.09 0.00 0.00 0.00 179.25 178.95 3nnk h ARG 281 N 0.40 0.79 -0.08 0.00 2.43 -0.55 -2.30 114.38 115.06 3nnk h ARG 281 Ca 0.03 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3nnk h ARG 281 Cb 0.91 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3nnk h ARG 281 CO 0.08 0.97 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.43 3nnk h LEU 282 N 0.67 0.16 -0.47 3.80 3.38 -0.08 -2.21 115.31 120.56 3nnk h LEU 282 Ca 0.08 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3nnk h LEU 282 Cb 0.80 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 3nnk h LEU 282 CO 0.07 0.46 0.14 0.40 0.09 0.00 0.00 178.44 179.59 3nnk h ILE 283 N -0.15 0.80 0.00 1.22 2.04 -1.32 -2.52 117.51 117.58 3nnk h ILE 283 Ca 0.02 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 3nnk h ILE 283 Cb 0.38 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3nnk h ILE 283 CO 0.01 0.05 -0.40 -0.07 0.00 0.00 0.00 178.15 177.74 3nnk h LEU 284 N 0.29 0.00 -0.46 1.44 3.38 -1.41 0.64 115.31 119.19 3nnk h LEU 284 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3nnk h LEU 284 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3nnk h LEU 284 CO -0.26 0.40 0.08 1.56 0.09 0.00 0.00 178.44 180.31 3nnk h GLN 285 N 0.00 0.76 -0.42 1.13 4.20 -1.17 -2.80 115.11 116.81 3nnk h GLN 285 Ca -0.00 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.41 3nnk h GLN 285 Cb 1.07 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 3nnk h GLN 285 CO 0.05 0.77 -0.12 1.49 -0.67 0.00 0.00 178.83 180.35 3nnk h GLU 286 N 0.63 0.77 -0.04 1.46 4.81 -1.22 -3.49 114.58 117.49 3nnk h GLU 286 Ca 0.14 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3nnk h GLU 286 Cb 0.38 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3nnk h GLU 286 CO 0.01 0.86 0.00 0.41 -0.73 0.00 0.00 179.01 179.55 3nnk n GLY 287 N -0.43 1.10 0.29 1.92 0.00 0.20 -4.62 105.19 103.65 3nnk n GLY 287 Ca 0.01 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.79 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 0.61 -0.90 0.99 5.85 -1.83 -0.26 115.31 119.77 3nnk h LEU 288 Ca 0.00 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3nnk h LEU 288 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3nnk h LEU 288 CO 0.00 0.37 -0.23 0.44 -0.34 0.00 0.00 178.44 178.68 3nnk h ASP 289 N 0.74 0.55 -0.05 1.25 3.45 -1.93 -1.92 116.42 118.52 3nnk h ASP 289 Ca 0.36 -0.18 -0.10 0.00 0.43 0.00 0.00 57.03 57.54 3nnk h ASP 289 Cb 0.30 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3nnk h ASP 289 CO -0.23 0.78 -0.26 1.88 -1.57 0.00 0.00 179.24 179.84 3nnk h TYR 290 N 0.49 0.53 -0.09 4.55 0.05 -1.50 -1.74 116.97 119.27 3nnk h TYR 290 Ca 0.07 -0.11 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 3nnk h TYR 290 Cb 0.67 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3nnk h TYR 290 CO 0.02 0.69 -0.55 0.78 -1.05 0.00 0.00 178.16 178.06 3nnk h GLY 291 N 1.02 0.28 1.54 3.88 0.00 -0.74 -2.04 103.07 107.01 3nnk h GLY 291 Ca 0.06 -0.33 -0.26 0.00 0.00 0.00 0.00 47.33 46.81 3nnk h GLY 291 CO 0.05 0.29 -1.12 -2.22 0.00 0.00 0.00 176.54 173.54 3nnk h ILE 292 N 0.20 1.43 -0.31 2.60 2.04 -1.27 -2.62 117.51 119.58 3nnk h ILE 292 Ca 0.00 -2.72 -0.08 0.00 1.00 0.00 0.00 64.86 63.06 3nnk h ILE 292 Cb 1.04 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 3nnk h ILE 292 CO 0.09 0.80 -0.16 0.00 0.00 0.00 0.00 178.15 178.88 3nnk h ALA 293 N 0.61 1.15 -0.07 1.87 0.00 -1.30 -1.80 119.26 119.71 3nnk h ALA 293 Ca -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3nnk h ALA 293 Cb 1.80 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3nnk h ALA 293 CO 0.19 0.54 0.00 -0.09 0.00 0.00 0.00 179.25 179.89 3nnk h ARG 294 N 0.50 0.12 -0.78 0.00 2.43 -1.37 -0.72 114.38 114.56 3nnk h ARG 294 Ca 0.09 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3nnk h ARG 294 Cb 0.57 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 3nnk h ARG 294 CO 0.04 0.37 0.49 0.45 -1.51 0.00 0.00 179.97 179.81 3nnk h HIS 295 N -0.15 0.91 0.06 2.20 3.86 -1.40 -1.87 115.15 118.75 3nnk h HIS 295 Ca 0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3nnk h HIS 295 Cb 0.32 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3nnk h HIS 295 CO 0.03 0.50 -0.03 -0.22 0.86 0.00 0.00 177.93 179.07 3nnk h LYS 296 N 0.93 -0.08 -0.15 2.45 3.64 -1.28 -1.77 116.57 120.31 3nnk h LYS 296 Ca 0.32 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.75 3nnk h LYS 296 Cb 0.06 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 3nnk h LYS 296 CO -0.13 -0.04 -0.13 1.25 -2.27 0.00 0.00 179.45 178.14 3nnk h LEU 297 N -0.09 -0.40 -0.17 5.20 5.85 -0.58 0.88 115.31 126.00 3nnk h LEU 297 Ca -0.01 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3nnk h LEU 297 Cb 0.07 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3nnk h LEU 297 CO 0.01 -0.17 -0.42 0.45 -0.34 0.00 0.00 178.44 177.98 3nnk h HIS 298 N -0.14 0.00 -0.23 1.25 3.86 -1.42 -2.63 115.15 115.84 3nnk h HIS 298 Ca 0.09 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.20 3nnk h HIS 298 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 3nnk h HIS 298 CO -0.25 0.42 -0.26 0.78 0.86 0.00 0.00 177.93 179.48 3nnk h GLY 299 N 3.32 0.64 1.53 2.45 0.00 -0.98 -2.66 103.07 107.37 3nnk h GLY 299 Ca -0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 3nnk h GLY 299 CO 0.05 0.60 -0.06 -0.55 0.00 0.00 0.00 176.54 176.58 3nnk h ASP 300 N 0.28 0.55 -0.18 0.19 3.32 -0.81 -2.13 116.42 117.64 3nnk h ASP 300 Ca 0.03 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 3nnk h ASP 300 Cb 0.82 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3nnk h ASP 300 CO 0.06 0.66 -0.25 0.00 -1.72 0.00 0.00 179.24 178.00 3nnk h ALA 301 N 1.40 0.96 -0.40 3.45 0.00 -1.49 -1.36 119.26 121.82 3nnk h ALA 301 Ca 0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3nnk h ALA 301 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3nnk h ALA 301 CO 0.02 0.60 0.09 1.25 0.00 0.00 0.00 179.25 181.22 3nnk h LEU 302 N 0.56 0.62 0.51 0.00 5.85 -1.19 -2.25 115.31 119.41 3nnk h LEU 302 Ca 0.08 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3nnk h LEU 302 Cb 0.72 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3nnk h LEU 302 CO 0.06 0.70 -0.29 0.58 -0.34 0.00 0.00 178.44 179.14 3nnk h VAL 303 N 0.51 0.41 0.00 1.05 2.07 -1.19 -0.36 116.25 118.74 3nnk h VAL 303 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3nnk h VAL 303 Cb 0.32 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3nnk h VAL 303 CO 0.00 0.00 -0.04 0.11 0.02 0.00 0.00 177.57 177.67 3nnk h LYS 304 N -0.75 0.00 0.19 1.57 1.57 -1.27 0.22 116.57 118.10 3nnk h LYS 304 Ca -0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 3nnk h LYS 304 Cb 0.60 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.94 3nnk h LYS 304 CO 0.08 0.04 -1.13 0.78 -0.57 0.00 0.00 179.45 178.65 3nnk h GLY 305 N 0.28 0.46 1.08 3.86 0.00 -1.23 -3.08 103.07 104.44 3nnk h GLY 305 Ca -0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 47.33 46.11 3nnk h GLY 305 CO 0.00 1.02 0.25 -2.22 0.00 0.00 0.00 176.54 175.60 3nnk h ILE 306 N -0.15 1.26 -0.20 2.60 1.08 -0.20 -1.61 117.51 120.29 3nnk h ILE 306 Ca -0.20 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.37 3nnk h ILE 306 Cb 1.87 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 36.03 3nnk h ILE 306 CO 0.20 0.35 0.07 1.56 -0.69 0.00 0.00 178.15 179.65 3nnk h GLN 307 N 1.11 0.31 0.00 2.37 4.20 -1.13 -2.55 115.11 119.42 3nnk h GLN 307 Ca 0.24 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3nnk h GLN 307 Cb 0.29 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3nnk h GLN 307 CO -0.01 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.54 3nnk h ALA 308 N 0.91 1.00 0.00 3.87 0.00 -1.43 -0.73 119.26 122.88 3nnk h ALA 308 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3nnk h ALA 308 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3nnk h ALA 308 CO -0.00 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 179.13 3nnk n MET 309 N -2.93 0.53 -1.31 0.00 0.00 -0.62 -4.21 117.12 108.59 3nnk n MET 309 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 57.70 57.72 3nnk n MET 309 Cb 0.24 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 31.96 3nnk n MET 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3nnk n GLY 310 N 0.85 0.41 3.82 -5.12 0.00 -0.28 -4.84 105.19 100.03 3nnk n GLY 310 Ca 0.15 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.21 4.32 0.75 0.99 1.43 -0.98 -5.05 118.68 119.93 3nnk s LEU 311 Ca 0.00 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 3nnk s LEU 311 Cb 0.00 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.15 3nnk s LEU 311 CO 0.00 0.31 1.10 -1.61 0.23 0.00 0.00 176.35 176.38 3nnk s GLU 312 N -0.48 2.36 0.13 1.70 2.02 -1.26 -4.30 118.70 118.87 3nnk s GLU 312 Ca 0.13 1.24 0.09 0.00 0.02 0.00 0.00 54.97 56.45 3nnk s GLU 312 Cb -0.12 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 3nnk s GLU 312 CO 0.02 -1.57 -0.22 0.95 0.02 0.00 0.00 175.26 174.46 3nnk s THR 313 N -2.75 1.95 -0.04 3.63 -4.23 -1.26 -2.34 115.64 110.60 3nnk s THR 313 Ca 0.63 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 59.31 3nnk s THR 313 Cb -0.18 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 3nnk s THR 313 CO 0.52 -0.07 0.29 0.12 -0.54 0.00 0.00 174.62 174.95 3nnk s PHE 314 N -1.34 3.66 0.00 3.99 5.36 0.10 -4.85 117.98 124.91 3nnk s PHE 314 Ca 0.12 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3nnk s PHE 314 Cb -0.09 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 3nnk s PHE 314 CO 0.06 0.68 0.00 0.41 -1.46 0.00 0.00 175.22 174.90 3nnk n GLY 315 N 1.79 -1.54 3.61 13.12 0.00 -1.26 -4.56 105.19 116.36 3nnk n GLY 315 Ca -0.16 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.34 6.51 0.17 1.61 2.15 -1.12 -4.90 116.67 117.76 3nnk s ASP 316 Ca 0.00 0.94 0.21 0.00 0.43 0.00 0.00 52.55 54.13 3nnk s ASP 316 Cb 0.00 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 40.95 3nnk s ASP 316 CO 0.00 -1.27 1.64 0.18 -0.17 0.00 0.00 175.17 175.55 3nnk n LEU 317 N 8.21 0.46 0.15 -1.34 4.77 -1.26 -2.28 117.00 125.71 3nnk n LEU 317 Ca 0.15 0.61 0.03 0.00 -0.03 0.00 0.00 56.01 56.77 3nnk n LEU 317 Cb 0.47 -0.55 0.40 0.00 -2.33 0.00 0.00 43.42 41.42 3nnk n LEU 317 CO 0.67 -0.45 0.85 0.11 -1.33 0.00 0.00 177.39 177.24 3nnk h LYS 318 N 0.00 0.15 0.00 3.23 1.57 -2.01 -3.24 116.57 116.27 3nnk h LYS 318 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3nnk h LYS 318 Cb 0.34 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 3nnk h LYS 318 CO 0.00 0.35 -0.55 0.72 -0.57 0.00 0.00 179.45 179.39 3nnk n HIS 319 N -4.24 0.00 -2.21 -1.35 8.25 -0.97 -5.06 115.22 109.64 3nnk n HIS 319 Ca -0.01 -1.36 -0.35 0.00 -0.26 0.00 0.00 57.72 55.74 3nnk n HIS 319 Cb 0.30 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.82 3.30 0.34 -0.41 2.20 -1.19 0.07 119.74 121.23 3nnk s LYS 320 Ca 0.37 1.61 -0.26 0.00 -0.36 0.00 0.00 55.97 57.33 3nnk s LYS 320 Cb 0.37 -2.00 -0.09 0.00 -1.51 0.00 0.00 37.83 34.60 3nnk s LYS 320 CO -0.08 -0.89 1.05 -1.64 -0.36 0.00 0.00 175.35 173.43 3nnk s MET 321 N -3.34 4.40 0.48 4.03 -1.94 -0.71 -4.65 119.30 117.56 3nnk s MET 321 Ca 0.73 1.60 0.14 0.00 -1.71 0.00 0.00 55.69 56.45 3nnk s MET 321 Cb -0.24 -2.83 1.11 0.00 2.01 0.00 0.00 34.83 34.88 3nnk s MET 321 CO 0.28 0.05 2.08 -0.91 -0.01 0.00 0.00 175.02 176.51 3nnk h ASN 322 N 3.10 0.07 -0.02 3.03 2.35 -1.88 -3.23 115.58 119.01 3nnk h ASN 322 Ca -0.47 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3nnk h ASN 322 Cb 1.21 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3nnk h ASN 322 CO 0.64 0.12 -0.05 -0.46 -1.65 0.00 0.00 177.43 176.04 3nnk n ASN 323 N -4.45 2.38 -4.00 5.81 6.94 -1.26 -4.05 115.26 116.63 3nnk n ASN 323 Ca -0.02 -1.69 -0.19 0.00 -0.02 0.00 0.00 54.58 52.66 3nnk n ASN 323 Cb 0.14 0.06 -0.15 0.00 -2.36 0.00 0.00 39.78 37.48 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 -1.55 0.68 -0.08 3.53 1.01 -1.22 -0.65 120.40 122.13 3nnk s VAL 324 Ca 0.20 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3nnk s VAL 324 Cb 0.15 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.95 3nnk s VAL 324 CO 0.25 0.20 -0.13 -0.22 0.00 0.00 0.00 175.10 175.20 3nnk s LEU 325 N -0.03 1.65 -0.42 3.92 0.20 -0.44 -4.36 118.68 119.20 3nnk s LEU 325 Ca 0.01 -0.35 -0.25 0.00 0.69 0.00 0.00 54.13 54.23 3nnk s LEU 325 Cb -0.05 -0.93 0.02 0.00 -0.43 0.00 0.00 46.19 44.79 3nnk s LEU 325 CO -0.00 0.02 0.87 -0.83 -0.29 0.00 0.00 176.35 176.12 3nnk s GLY 326 N 0.83 1.55 -0.30 7.98 0.00 -1.26 -1.33 107.32 114.78 3nnk s GLY 326 Ca -0.11 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 3nnk s GLY 326 CO 0.02 1.92 0.08 0.14 0.00 0.00 0.00 173.10 175.26 3nnk s VAL 327 N 3.48 3.85 -0.13 1.40 1.01 0.79 -0.72 120.40 130.07 3nnk s VAL 327 Ca 0.35 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3nnk s VAL 327 Cb -0.11 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3nnk s VAL 327 CO 0.22 0.02 1.46 -0.69 0.00 0.00 0.00 175.10 176.12 3nnk s VAL 328 N 1.46 3.94 0.00 2.92 1.01 -0.99 0.64 120.40 129.39 3nnk s VAL 328 Ca 0.01 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 3nnk s VAL 328 Cb -0.18 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 3nnk s VAL 328 CO 0.02 -0.14 1.99 -0.63 0.00 0.00 0.00 175.10 176.34 3nnk s ILE 329 N 3.94 3.04 0.97 2.22 1.01 0.33 -4.43 121.20 128.28 3nnk s ILE 329 Ca 0.64 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 61.22 3nnk s ILE 329 Cb -0.26 -3.03 0.16 0.00 0.01 0.00 0.00 42.46 39.33 3nnk s ILE 329 CO 0.22 -0.01 0.99 -2.65 0.00 0.00 0.00 174.94 173.50 3nnk n PRO 330 N 7.68 -0.80 -3.36 2.79 -0.02 -1.26 -4.92 135.00 135.12 3nnk n PRO 330 Ca 0.21 -0.18 -0.38 0.00 -2.02 0.00 0.00 63.50 61.13 3nnk n PRO 330 Cb 0.42 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3nnk n PRO 330 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3nnk s GLN 331 N -4.43 4.19 0.00 -0.52 1.11 -1.26 -3.12 119.66 115.63 3nnk s GLN 331 Ca 0.66 0.51 0.00 0.00 0.01 0.00 0.00 55.36 56.53 3nnk s GLN 331 Cb -0.23 -3.33 0.00 0.00 -1.01 0.00 0.00 33.01 28.44 3nnk s GLN 331 CO 0.61 0.41 0.00 0.41 0.01 0.00 0.00 175.29 176.73 3nnk n GLY 332 N 2.52 0.28 3.59 3.09 0.00 -1.26 -5.08 105.19 108.33 3nnk n GLY 332 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 333 N -2.00 4.61 -0.38 -0.61 -1.09 -1.18 -5.07 121.20 115.48 3nnk s ILE 333 Ca 0.00 -0.09 -0.28 0.00 -2.23 0.00 0.00 60.65 58.05 3nnk s ILE 333 Cb 0.00 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3nnk s ILE 333 CO 0.00 0.44 1.05 0.21 -1.23 0.00 0.00 174.94 175.41 3nnk s ASN 334 N 0.58 6.77 0.28 3.58 3.84 -1.26 -4.85 114.94 123.87 3nnk s ASN 334 Ca 0.02 0.73 -0.03 0.00 0.21 0.00 0.00 52.86 53.80 3nnk s ASN 334 Cb -0.13 -2.52 0.38 0.00 -0.55 0.00 0.00 41.25 38.43 3nnk s ASN 334 CO 0.01 -0.98 1.94 1.23 -2.79 0.00 0.00 177.10 176.51 3nnk h GLY 335 N 10.40 1.32 1.40 1.21 0.00 -1.94 -2.39 103.07 113.08 3nnk h GLY 335 Ca -0.22 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.51 3nnk h GLY 335 CO 1.04 0.44 -0.31 -0.55 0.00 0.00 0.00 176.54 177.16 3nnk h ASP 336 N 1.21 0.70 -0.25 0.19 3.32 -1.97 -2.95 116.42 116.68 3nnk h ASP 336 Ca 0.35 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3nnk h ASP 336 Cb -0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3nnk h ASP 336 CO -0.09 0.97 0.11 -0.61 -1.72 0.00 0.00 179.24 177.90 3nnk h GLN 337 N 0.58 0.36 -0.50 3.56 4.15 -1.85 -0.38 115.11 121.03 3nnk h GLN 337 Ca 0.07 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.44 3nnk h GLN 337 Cb 0.82 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 3nnk h GLN 337 CO 0.07 0.38 0.32 0.00 -1.93 0.00 0.00 178.83 177.67 3nnk h ALA 338 N 0.97 0.64 -0.61 3.38 0.00 -1.53 -1.45 119.26 120.66 3nnk h ALA 338 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3nnk h ALA 338 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3nnk h ALA 338 CO -0.01 0.05 0.36 0.00 0.00 0.00 0.00 179.25 179.65 3nnk h ARG 339 N 0.65 0.68 -0.58 0.00 3.08 -1.33 0.17 114.38 117.04 3nnk h ARG 339 Ca 0.19 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3nnk h ARG 339 Cb -0.04 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3nnk h ARG 339 CO -0.06 0.45 0.18 -0.22 -1.07 0.00 0.00 179.97 179.24 3nnk h LYS 340 N 0.70 0.88 0.04 0.04 3.64 -0.70 -2.14 116.57 119.03 3nnk h LYS 340 Ca 0.26 -0.17 -0.26 0.00 -1.27 0.00 0.00 60.65 59.21 3nnk h LYS 340 Cb 0.08 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3nnk h LYS 340 CO -0.13 0.76 -1.05 -0.07 -2.27 0.00 0.00 179.45 176.69 3nnk h LEU 341 N 0.85 0.85 -1.25 5.20 3.38 -0.92 -1.77 115.31 121.66 3nnk h LEU 341 Ca 0.19 -0.77 0.08 0.00 0.09 0.00 0.00 57.88 57.47 3nnk h LEU 341 Cb 0.26 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3nnk h LEU 341 CO -0.01 1.52 0.55 0.24 0.09 0.00 0.00 178.44 180.83 3nnk h MET 342 N 0.28 0.84 0.05 1.13 2.86 -0.54 -1.17 114.93 118.38 3nnk h MET 342 Ca -0.14 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.26 3nnk h MET 342 Cb 1.72 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.18 3nnk h MET 342 CO 0.20 0.56 -0.97 1.25 1.06 0.00 0.00 176.91 179.01 3nnk h LEU 343 N 0.87 0.18 -0.10 1.22 5.85 -0.99 0.19 115.31 122.53 3nnk h LEU 343 Ca 0.38 -0.79 -0.24 0.00 0.84 0.00 0.00 57.88 58.06 3nnk h LEU 343 Cb 0.33 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.31 3nnk h LEU 343 CO -0.15 1.41 -1.01 -0.33 -0.34 0.00 0.00 178.44 178.02 3nnk h GLU 344 N -0.69 0.42 0.00 1.25 5.08 -1.33 -2.12 114.58 117.19 3nnk h GLU 344 Ca -0.23 -0.49 -0.35 0.00 -1.00 0.00 0.00 59.36 57.29 3nnk h GLU 344 Cb 1.42 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.76 3nnk h GLU 344 CO -0.03 1.16 -2.31 -0.25 -1.00 0.00 0.00 179.01 176.57 3nnk n ASP 345 N -3.72 0.08 -0.00 1.42 8.00 -0.45 -4.54 116.55 117.34 3nnk n ASP 345 Ca -0.08 0.04 0.03 0.00 0.71 0.00 0.00 54.79 55.49 3nnk n ASP 345 Cb 0.88 0.95 -0.04 0.00 -0.02 0.00 0.00 41.12 42.89 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 -2.75 0.00 -2.79 1.24 3.72 -1.15 -5.02 117.46 110.70 3nnk n PHE 346 Ca -0.30 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 56.94 3nnk n PHE 346 Cb 1.12 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.68 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 1.21 -0.16 3.16 1.37 0.00 -0.80 -4.90 105.19 105.08 3nnk n GLY 347 Ca 0.01 -0.14 -0.30 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 -2.99 1.83 -0.27 -0.61 1.01 0.62 -0.56 121.20 120.23 3nnk s ILE 348 Ca 0.21 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 3nnk s ILE 348 Cb -0.09 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3nnk s ILE 348 CO 0.27 0.51 0.26 -0.70 0.00 0.00 0.00 174.94 175.27 3nnk s GLU 349 N 0.53 3.99 0.09 2.79 2.12 -0.03 -2.34 118.70 125.85 3nnk s GLU 349 Ca -0.15 -0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.06 3nnk s GLU 349 Cb -0.17 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 3nnk s GLU 349 CO 0.05 -0.20 -0.03 0.96 -0.54 0.00 0.00 175.26 175.51 3nnk s ILE 350 N 1.81 3.84 0.16 -3.70 -4.36 -1.26 -0.15 121.20 117.54 3nnk s ILE 350 Ca 0.10 -1.05 -0.26 0.00 -0.26 0.00 0.00 60.65 59.19 3nnk s ILE 350 Cb -0.16 -2.82 -0.08 0.00 1.25 0.00 0.00 42.46 40.66 3nnk s ILE 350 CO 0.10 0.13 0.80 -0.83 0.24 0.00 0.00 174.94 175.38 3nnk s GLY 351 N -2.24 2.93 0.98 6.27 0.00 -0.26 -4.81 107.32 110.20 3nnk s GLY 351 Ca 0.24 0.39 -0.16 0.00 0.00 0.00 0.00 44.72 45.19 3nnk s GLY 351 CO 0.17 0.95 1.34 -1.08 0.00 0.00 0.00 173.10 174.48 3nnk s THR 352 N -0.99 2.00 0.11 0.90 -1.32 -1.26 -0.29 115.64 114.79 3nnk s THR 352 Ca 0.37 -0.01 0.10 0.00 -1.21 0.00 0.00 61.69 60.94 3nnk s THR 352 Cb -0.23 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.73 3nnk s THR 352 CO 0.27 0.00 -0.26 -0.44 -2.21 0.00 0.00 174.62 171.98 3nnk s SER 353 N -4.94 3.15 0.15 8.08 0.01 -1.24 -4.43 113.70 114.48 3nnk s SER 353 Ca 0.76 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 57.35 3nnk s SER 353 Cb -0.03 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 3nnk s SER 353 CO 0.53 0.17 0.10 -0.36 0.41 0.00 0.00 173.24 174.09 3nnk s PHE 354 N -1.04 3.09 0.00 2.43 0.08 -1.26 -3.65 117.98 117.63 3nnk s PHE 354 Ca 0.12 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.15 3nnk s PHE 354 Cb -0.10 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 3nnk s PHE 354 CO 0.05 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.10 3nnk n GLY 355 N -0.12 1.60 0.33 4.36 0.00 -1.26 -3.58 105.19 106.53 3nnk n GLY 355 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 12.80 0.86 0.00 1.61 -0.04 -1.26 -3.08 135.00 145.90 3nnk n PRO 356 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3nnk n PRO 356 Cb 0.00 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 3nnk n PRO 356 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3nnk n LEU 357 N -0.12 0.20 -4.74 1.53 4.77 -1.23 -4.98 117.00 112.42 3nnk n LEU 357 Ca 0.00 -0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 55.08 3nnk n LEU 357 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3nnk n LEU 357 CO 0.00 0.05 1.24 -2.28 -1.33 0.00 0.00 177.39 175.07 3nnk s HIS 358 N -0.56 2.85 0.00 -1.77 2.46 -1.18 -1.72 115.29 115.37 3nnk s HIS 358 Ca 0.00 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.27 3nnk s HIS 358 Cb 0.00 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.42 3nnk s HIS 358 CO 0.00 -3.54 0.00 0.41 -2.47 0.00 0.00 174.74 169.14 3nnk n GLY 359 N 2.61 2.35 0.20 1.59 0.00 -1.26 -4.80 105.19 105.89 3nnk n GLY 359 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3nnk n GLY 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nnk n LYS 360 N -2.00 0.38 -4.28 1.61 4.76 -0.70 -4.78 118.16 113.15 3nnk n LYS 360 Ca 0.00 0.11 -0.23 0.00 -2.87 0.00 0.00 58.31 55.32 3nnk n LYS 360 Cb 0.00 -1.24 -0.17 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.31 0.81 0.22 -0.18 1.01 -0.75 0.12 120.40 119.32 3nnk s VAL 361 Ca -0.22 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 3nnk s VAL 361 Cb 0.06 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 3nnk s VAL 361 CO 0.34 0.29 0.57 0.26 0.00 0.00 0.00 175.10 176.56 3nnk s TRP 362 N 0.95 3.47 -0.35 5.22 0.51 0.21 -3.62 118.94 125.33 3nnk s TRP 362 Ca -0.10 0.97 -0.02 0.00 -2.12 0.00 0.00 56.10 54.83 3nnk s TRP 362 Cb -0.15 -2.33 0.07 0.00 -0.81 0.00 0.00 33.47 30.26 3nnk s TRP 362 CO 0.00 0.29 0.09 1.03 -0.51 0.00 0.00 176.95 177.85 3nnk s ARG 363 N -2.60 2.25 -0.32 4.98 0.52 0.60 -0.15 118.95 124.22 3nnk s ARG 363 Ca 0.46 -1.49 -0.07 0.00 -0.52 0.00 0.00 55.73 54.10 3nnk s ARG 363 Cb -0.12 -3.36 0.02 0.00 0.52 0.00 0.00 34.95 32.01 3nnk s ARG 363 CO 0.20 -0.81 0.11 0.42 0.02 0.00 0.00 175.30 175.24 3nnk s ILE 364 N 1.21 4.02 0.13 1.52 1.01 -0.45 -1.11 121.20 127.54 3nnk s ILE 364 Ca 0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 3nnk s ILE 364 Cb -0.21 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3nnk s ILE 364 CO -0.02 -0.03 0.31 -0.83 0.00 0.00 0.00 174.94 174.37 3nnk s GLY 365 N 1.49 2.02 -0.49 6.18 0.00 0.34 -1.32 107.32 115.53 3nnk s GLY 365 Ca 0.01 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.96 3nnk s GLY 365 CO 0.03 -0.77 0.35 -0.51 0.00 0.00 0.00 173.10 172.20 3nnk s THR 366 N -1.67 1.27 0.10 0.90 -4.23 0.18 -4.62 115.64 107.58 3nnk s THR 366 Ca 0.37 -3.01 0.09 0.00 -1.18 0.00 0.00 61.69 57.97 3nnk s THR 366 Cb -0.12 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 3nnk s THR 366 CO 0.28 -1.08 -0.21 -0.04 -0.54 0.00 0.00 174.62 173.03 3nnk s MET 367 N -0.21 1.74 1.19 3.99 -1.94 -1.26 -4.38 119.30 118.43 3nnk s MET 367 Ca 0.26 -1.18 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 3nnk s MET 367 Cb -0.07 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.70 3nnk s MET 367 CO -0.13 0.49 0.00 0.41 -0.01 0.00 0.00 175.02 175.78 3nnk n GLY 368 N 1.01 1.94 0.17 -0.03 0.00 -1.23 -0.29 105.19 106.76 3nnk n GLY 368 Ca -0.16 0.50 0.02 0.00 0.00 0.00 0.00 46.02 46.38 3nnk n GLY 368 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3nnk h TYR 369 N 0.00 0.00 -0.05 1.61 3.20 -1.80 -2.83 116.97 117.10 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 0.46 0.00 0.09 -1.64 0.00 0.00 178.16 177.07 3nnk n ASN 370 N -3.86 1.13 -3.69 -2.11 3.02 0.60 -4.43 115.26 105.92 3nnk n ASN 370 Ca -0.01 -1.46 -0.42 0.00 -0.03 0.00 0.00 54.58 52.66 3nnk n ASN 370 Cb 0.50 -0.03 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.09 5.75 -2.35 5.41 0.00 -0.90 -4.38 120.51 123.94 3nnk n ALA 371 Ca 0.19 -3.85 -0.18 0.00 0.00 0.00 0.00 53.44 49.59 3nnk n ALA 371 Cb 0.28 -3.52 -0.10 0.00 0.00 0.00 0.00 19.45 16.11 3nnk n ALA 371 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nnk s ARG 372 N 3.06 1.36 0.14 0.00 0.52 -1.26 -4.83 118.95 117.95 3nnk s ARG 372 Ca 0.49 -1.67 -0.15 0.00 -0.52 0.00 0.00 55.73 53.88 3nnk s ARG 372 Cb 0.14 -0.83 0.01 0.00 0.52 0.00 0.00 34.95 34.80 3nnk s ARG 372 CO -0.09 -0.01 1.73 -0.22 0.02 0.00 0.00 175.30 176.74 3nnk h LYS 373 N 2.46 0.61 -0.08 3.54 3.64 -1.97 -2.99 116.57 121.78 3nnk h LYS 373 Ca -0.39 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 3nnk h LYS 373 Cb 1.22 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3nnk h LYS 373 CO 0.65 0.52 -0.41 0.38 -2.27 0.00 0.00 179.45 178.32 3nnk h ASP 374 N 0.56 0.18 -0.45 4.20 2.03 -1.97 -0.13 116.42 120.84 3nnk h ASP 374 Ca 0.15 -0.08 -0.03 0.00 -0.73 0.00 0.00 57.03 56.34 3nnk h ASP 374 Cb 0.10 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.53 3nnk h ASP 374 CO -0.02 0.58 0.17 0.00 -1.03 0.00 0.00 179.24 178.95 3nnk h VAL 376 N 0.59 0.88 -0.00 0.00 2.07 -1.29 -1.84 116.25 116.65 3nnk h VAL 376 Ca 0.15 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.66 3nnk h VAL 376 Cb 0.21 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3nnk h VAL 376 CO -0.01 0.01 -0.09 0.24 0.02 0.00 0.00 177.57 177.73 3nnk h MET 377 N -0.18 -0.15 -0.18 1.57 2.07 -0.95 -0.69 114.93 116.41 3nnk h MET 377 Ca -0.02 0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.60 3nnk h MET 377 Cb 0.14 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.90 3nnk h MET 377 CO 0.03 -0.10 -0.01 1.15 1.07 0.00 0.00 176.91 179.04 3nnk h THR 378 N -0.16 1.13 -0.03 2.22 2.02 -0.99 -2.05 112.91 115.05 3nnk h THR 378 Ca 0.04 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 3nnk h THR 378 Cb 0.21 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3nnk h THR 378 CO -0.10 0.16 -0.17 0.74 0.37 0.00 0.00 175.52 176.53 3nnk h THR 379 N 0.26 1.50 -0.59 3.16 2.02 -1.00 -2.84 112.91 115.41 3nnk h THR 379 Ca 0.06 -1.71 0.01 0.00 0.77 0.00 0.00 66.41 65.54 3nnk h THR 379 Cb 0.20 2.54 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 3nnk h THR 379 CO 0.01 0.47 0.39 -0.07 0.37 0.00 0.00 175.52 176.68 3nnk h LEU 380 N -0.44 0.66 -0.41 2.58 3.38 -1.00 -1.87 115.31 118.21 3nnk h LEU 380 Ca -0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3nnk h LEU 380 Cb 0.85 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3nnk h LEU 380 CO 0.03 0.48 -0.24 0.77 0.09 0.00 0.00 178.44 179.58 3nnk h SER 381 N 0.79 0.91 -0.18 -0.43 4.64 -1.48 -2.38 113.55 115.41 3nnk h SER 381 Ca 0.22 -0.42 -0.11 0.00 -0.47 0.00 0.00 61.79 61.01 3nnk h SER 381 Cb -0.08 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.74 3nnk h SER 381 CO -0.05 1.13 -0.27 0.00 -0.87 0.00 0.00 176.83 176.77 3nnk h ALA 382 N 0.81 0.93 -0.09 5.18 0.00 -1.42 -0.14 119.26 124.52 3nnk h ALA 382 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3nnk h ALA 382 Cb 0.81 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3nnk h ALA 382 CO 0.07 0.61 0.01 1.25 0.00 0.00 0.00 179.25 181.19 3nnk h LEU 383 N 0.57 0.16 -1.12 0.00 6.46 -1.31 -1.15 115.31 118.92 3nnk h LEU 383 Ca 0.08 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.51 3nnk h LEU 383 Cb 0.75 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.61 3nnk h LEU 383 CO 0.06 0.41 0.21 -0.08 -0.62 0.00 0.00 178.44 178.42 3nnk h GLU 384 N -0.10 0.83 0.25 1.25 4.81 -1.36 0.42 114.58 120.69 3nnk h GLU 384 Ca 0.03 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3nnk h GLU 384 Cb 0.32 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3nnk h GLU 384 CO 0.00 0.70 -0.23 0.00 -0.73 0.00 0.00 179.01 178.75 3nnk h ALA 385 N 1.41 -0.48 -0.41 2.92 0.00 -0.86 -0.71 119.26 121.13 3nnk h ALA 385 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3nnk h ALA 385 Cb 0.19 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3nnk h ALA 385 CO -0.02 -0.80 0.22 0.28 0.00 0.00 0.00 179.25 178.94 3nnk h VAL 386 N -0.50 1.15 -0.48 0.00 2.07 -0.92 -0.74 116.25 116.83 3nnk h VAL 386 Ca -0.01 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3nnk h VAL 386 Cb 0.46 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3nnk h VAL 386 CO -0.04 0.16 0.26 -0.07 0.02 0.00 0.00 177.57 177.90 3nnk h LEU 387 N 0.53 0.60 -0.83 2.57 3.38 -0.87 0.68 115.31 121.36 3nnk h LEU 387 Ca 0.14 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3nnk h LEU 387 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3nnk h LEU 387 CO -0.02 0.52 -0.01 0.78 0.09 0.00 0.00 178.44 179.80 3nnk h ASN 388 N 0.63 0.83 -0.44 -0.43 2.35 -1.04 -0.42 115.58 117.06 3nnk h ASN 388 Ca 0.17 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3nnk h ASN 388 Cb 0.05 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3nnk h ASN 388 CO -0.03 0.90 0.19 0.22 -1.65 0.00 0.00 177.43 177.07 3nnk h TYR 389 N 0.80 0.70 -0.23 1.19 -0.00 -0.76 -1.60 116.97 117.08 3nnk h TYR 389 Ca 0.15 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.85 3nnk h TYR 389 Cb 0.49 -0.22 -0.00 0.00 -0.00 0.00 0.00 36.73 37.00 3nnk h TYR 389 CO 0.03 0.55 0.00 1.28 -0.00 0.00 0.00 178.16 180.02 3nnk n LEU 390 N -4.35 2.88 -2.28 2.82 4.32 0.20 -4.90 117.00 115.69 3nnk n LEU 390 Ca 0.04 -1.46 -0.16 0.00 -0.02 0.00 0.00 56.01 54.41 3nnk n LEU 390 Cb 0.16 -0.57 0.03 0.00 -1.62 0.00 0.00 43.42 41.41 3nnk n LEU 390 CO 0.38 0.40 0.02 0.29 -1.22 0.00 0.00 177.39 177.26 3nnk n LYS 391 N 0.24 -3.81 -3.67 3.23 5.02 -0.60 -5.00 118.16 113.57 3nnk n LYS 391 Ca 0.11 0.65 -0.39 0.00 -2.02 0.00 0.00 58.31 56.66 3nnk n LYS 391 Cb 0.63 -4.97 -0.12 0.00 -0.02 0.00 0.00 35.03 30.55 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3nnk s PHE 392 N -3.03 3.22 0.31 2.13 5.36 -0.21 -5.01 117.98 120.76 3nnk s PHE 392 Ca 0.24 -1.05 -0.29 0.00 -0.96 0.00 0.00 56.93 54.87 3nnk s PHE 392 Cb -0.11 -2.35 -0.11 0.00 -0.34 0.00 0.00 43.02 40.11 3nnk s PHE 392 CO 0.30 -0.64 1.50 -2.14 -1.46 0.00 0.00 175.22 172.78 3nnk s PRO 393 N 1.51 4.18 0.02 10.12 0.02 -1.26 -3.86 135.00 145.73 3nnk s PRO 393 Ca 0.01 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.51 3nnk s PRO 393 Cb -0.19 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 3nnk s PRO 393 CO 0.05 -0.50 -0.04 0.95 -0.33 0.00 0.00 177.00 177.13 3nnk s THR 394 N -0.41 0.21 -0.16 0.99 -4.23 -1.26 -5.00 115.64 105.78 3nnk s THR 394 Ca 0.58 -0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 60.01 3nnk s THR 394 Cb -0.45 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 3nnk s THR 394 CO 0.51 -0.37 1.73 -0.89 -0.54 0.00 0.00 174.62 175.06 3nnk s THR 395 N -1.17 3.52 -0.09 3.99 2.01 -1.26 -4.90 115.64 117.73 3nnk s THR 395 Ca -0.12 0.60 -0.35 0.00 0.31 0.00 0.00 61.69 62.13 3nnk s THR 395 Cb -0.08 -3.50 -0.12 0.00 0.01 0.00 0.00 72.50 68.80 3nnk s THR 395 CO -0.01 -0.18 1.83 1.67 -0.69 0.00 0.00 174.62 177.24 3nnk n GLN 396 N 7.67 2.03 -0.05 4.92 7.27 -1.26 -1.83 117.38 136.13 3nnk n GLN 396 Ca 0.20 0.74 0.00 0.00 0.07 0.00 0.00 57.00 58.01 3nnk n GLN 396 Cb 0.44 -2.56 0.00 0.00 2.41 0.00 0.00 30.24 30.53 3nnk n GLN 396 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 397 N 4.27 1.52 0.13 1.69 0.00 -1.26 -4.95 105.19 106.59 3nnk n GLY 397 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.27 -0.76 4.61 0.00 -1.68 -0.66 119.26 121.04 3nnk h ALA 398 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3nnk h ALA 398 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3nnk h ALA 398 CO 0.00 -0.02 0.32 0.00 0.00 0.00 0.00 179.25 179.55 3nnk h ALA 399 N 0.79 0.98 -0.19 0.00 0.00 -1.79 -1.86 119.26 117.20 3nnk h ALA 399 Ca 0.06 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3nnk h ALA 399 Cb 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3nnk h ALA 399 CO 0.01 0.59 -0.45 0.52 0.00 0.00 0.00 179.25 179.92 3nnk h MET 400 N 1.09 0.63 -0.17 0.00 2.07 -1.87 -2.18 114.93 114.50 3nnk h MET 400 Ca 0.26 -0.43 0.05 0.00 -2.07 0.00 0.00 59.70 57.50 3nnk h MET 400 Cb 0.18 0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 29.92 3nnk h MET 400 CO -0.02 1.05 -0.16 0.37 1.07 0.00 0.00 176.91 179.22 3nnk h GLN 401 N 0.31 -0.17 -0.49 1.72 5.75 -0.99 0.40 115.11 121.63 3nnk h GLN 401 Ca -0.00 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3nnk h GLN 401 Cb 1.06 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 3nnk h GLN 401 CO 0.10 -0.11 0.11 0.00 -2.65 0.00 0.00 178.83 176.27 3nnk h ALA 402 N 0.91 1.27 -0.08 3.38 0.00 -1.37 0.79 119.26 124.16 3nnk h ALA 402 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3nnk h ALA 402 Cb 0.34 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3nnk h ALA 402 CO -0.27 0.51 0.01 0.00 0.00 0.00 0.00 179.25 179.50 3nnk h ALA 403 N 1.40 0.11 -0.71 0.00 0.00 -0.79 -2.06 119.26 117.22 3nnk h ALA 403 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3nnk h ALA 403 Cb 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3nnk h ALA 403 CO -0.00 -0.24 0.32 -1.49 0.00 0.00 0.00 179.25 177.84 3nnk h TRP 404 N -0.11 1.03 -0.92 0.00 6.55 0.10 -2.80 115.95 119.80 3nnk h TRP 404 Ca 0.02 -0.06 0.01 0.00 0.95 0.00 0.00 58.89 59.81 3nnk h TRP 404 Cb 0.29 -0.32 -0.05 0.00 -0.86 0.00 0.00 29.16 28.23 3nnk h TRP 404 CO 0.02 0.78 0.60 -0.44 -1.05 0.00 0.00 178.44 178.35 3nnk h ASP 405 N 0.99 1.07 -0.49 -3.49 5.19 0.66 -0.91 116.42 119.44 3nnk h ASP 405 Ca 0.24 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.55 3nnk h ASP 405 Cb 0.15 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.37 3nnk h ASP 405 CO -0.03 0.78 0.04 -0.74 -3.12 0.00 0.00 179.24 176.18 3nnk h HIS 406 N 1.26 0.89 0.00 4.55 2.76 -1.30 -2.60 115.15 120.71 3nnk h HIS 406 Ca 0.34 -0.14 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 3nnk h HIS 406 Cb -0.13 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.58 3nnk h HIS 406 CO 0.00 0.83 -0.43 1.88 -1.30 0.00 0.00 177.93 178.92 3nnk h TYR 407 N 0.70 0.00 -0.12 5.26 0.05 -1.13 -2.52 116.97 119.20 3nnk h TYR 407 Ca 0.14 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.80 3nnk h TYR 407 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3nnk h TYR 407 CO 0.03 0.43 -0.41 0.00 -1.05 0.00 0.00 178.16 177.15 3nnk h ARG 408 N 0.00 0.50 0.00 4.88 -0.00 -1.16 -2.65 114.38 115.95 3nnk h ARG 408 Ca -0.00 -0.37 -0.04 0.00 -0.50 0.00 0.00 59.98 59.07 3nnk h ARG 408 Cb 0.79 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.82 3nnk h ARG 408 CO 0.06 0.99 -0.18 0.77 0.00 0.00 0.00 179.97 181.61 3nnk h SER 409 N 0.10 0.00 0.47 7.04 0.02 -1.33 -3.06 113.55 116.79 3nnk h SER 409 Ca -0.02 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.68 3nnk h SER 409 Cb 1.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 3nnk h SER 409 CO 0.09 0.18 -1.72 -0.62 -1.14 0.00 0.00 176.83 173.61 3nnk n GLU 410 N -3.70 0.64 0.00 3.45 1.02 -0.96 -5.11 120.64 115.98 3nnk n GLU 410 Ca -0.02 0.21 0.15 0.00 -0.02 0.00 0.00 57.16 57.48 3nnk n GLU 410 Cb 0.29 -1.75 0.87 0.00 -0.02 0.00 0.00 31.44 30.83 3nnk n GLU 410 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20