#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 1.11 -0.05 5.18 6.09 -2.08 -3.34 117.51 124.42 3nnk h ILE 3 Ca 0.00 -2.71 0.01 0.00 -1.37 0.00 0.00 64.86 60.79 3nnk h ILE 3 Cb 0.00 2.51 -0.00 0.00 0.47 0.00 0.00 36.82 39.80 3nnk h ILE 3 CO 0.00 0.63 0.05 0.71 -3.07 0.00 0.00 178.15 176.47 3nnk h THR 4 N 0.00 0.69 -0.06 2.19 1.35 -2.10 0.36 112.91 115.34 3nnk h THR 4 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3nnk h THR 4 Cb 1.68 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3nnk h THR 4 CO 0.09 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.36 3nnk n GLN 5 N -4.11 1.21 -3.45 4.72 10.64 -1.25 -4.37 117.38 120.76 3nnk n GLN 5 Ca -0.02 -0.31 -0.43 0.00 -1.83 0.00 0.00 57.00 54.41 3nnk n GLN 5 Cb 0.14 -1.27 -0.04 0.00 -0.86 0.00 0.00 30.24 28.22 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 -1.93 3.79 0.74 2.61 0.40 0.11 -5.07 117.98 118.63 3nnk s PHE 6 Ca 0.24 -2.40 -0.08 0.00 -0.60 0.00 0.00 56.93 54.09 3nnk s PHE 6 Cb 0.12 -3.62 0.07 0.00 0.51 0.00 0.00 43.02 40.10 3nnk s PHE 6 CO 0.19 -0.92 1.06 -1.54 0.70 0.00 0.00 175.22 174.71 3nnk s SER 7 N 1.40 4.66 0.71 1.36 1.04 -1.26 -5.03 113.70 116.58 3nnk s SER 7 Ca 0.21 0.47 -0.16 0.00 0.48 0.00 0.00 55.95 56.95 3nnk s SER 7 Cb -0.12 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 64.94 3nnk s SER 7 CO -0.08 -1.72 0.97 0.00 0.98 0.00 0.00 173.24 173.39 3nnk n GLN 8 N -3.03 0.55 -1.66 4.02 10.64 -1.26 -4.86 117.38 121.78 3nnk n GLN 8 Ca 0.09 0.24 -0.49 0.00 -1.83 0.00 0.00 57.00 55.01 3nnk n GLN 8 Cb 0.60 -2.22 -0.05 0.00 -0.86 0.00 0.00 30.24 27.72 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 -1.59 2.80 -2.85 2.61 -0.00 -1.26 -4.93 117.00 111.77 3nnk n LEU 9 Ca 0.13 1.06 -0.11 0.00 -0.00 0.00 0.00 56.01 57.09 3nnk n LEU 9 Cb 0.49 -1.34 0.02 0.00 -0.00 0.00 0.00 43.42 42.59 3nnk n LEU 9 CO 0.49 -0.41 0.08 -3.20 -0.00 0.00 0.00 177.39 174.35 3nnk n ASN 10 N 4.15 -2.28 -4.75 1.96 4.05 -1.26 -5.14 115.26 111.99 3nnk n ASN 10 Ca 0.19 -3.13 -0.41 0.00 0.45 0.00 0.00 54.58 51.69 3nnk n ASN 10 Cb 0.25 1.28 -0.04 0.00 1.23 0.00 0.00 39.78 42.50 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 0.32 4.59 0.66 1.20 0.04 -1.26 -5.01 135.00 135.55 3nnk s PRO 11 Ca 0.32 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 3nnk s PRO 11 Cb 0.19 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3nnk s PRO 11 CO -0.20 0.12 1.11 -1.25 0.04 0.00 0.00 177.00 176.82 3nnk s PRO 12 N -1.03 2.76 0.10 0.56 0.04 -1.26 -4.95 135.00 131.22 3nnk s PRO 12 Ca 0.47 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 3nnk s PRO 12 Cb -0.32 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3nnk s PRO 12 CO 0.39 -1.28 1.66 0.45 0.04 0.00 0.00 177.00 178.27 3nnk s SER 13 N -2.58 6.57 -0.01 6.66 0.15 -1.26 -5.01 113.70 118.22 3nnk s SER 13 Ca 0.67 2.55 0.02 0.00 0.70 0.00 0.00 55.95 59.89 3nnk s SER 13 Cb -0.21 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3nnk s SER 13 CO 0.42 -0.89 -0.06 -0.13 1.20 0.00 0.00 173.24 173.77 3nnk s ARG 14 N 2.37 0.62 -0.53 5.44 1.81 -1.26 -4.85 118.95 122.55 3nnk s ARG 14 Ca 0.74 -0.21 -0.17 0.00 -1.72 0.00 0.00 55.73 54.37 3nnk s ARG 14 Cb -0.42 -0.61 0.10 0.00 -0.45 0.00 0.00 34.95 33.57 3nnk s ARG 14 CO 0.33 0.10 0.55 -1.17 -0.68 0.00 0.00 175.30 174.42 3nnk s LEU 15 N 0.09 5.62 -0.74 2.53 2.96 0.26 -4.91 118.68 124.48 3nnk s LEU 15 Ca -0.01 -1.43 -0.25 0.00 -0.22 0.00 0.00 54.13 52.23 3nnk s LEU 15 Cb -0.06 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.42 3nnk s LEU 15 CO -0.00 -0.88 1.18 -0.76 -1.32 0.00 0.00 176.35 174.57 3nnk s LEU 16 N 2.08 3.67 -0.34 -0.68 1.43 -1.26 -0.96 118.68 122.62 3nnk s LEU 16 Ca 0.08 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 3nnk s LEU 16 Cb -0.25 -2.51 0.46 0.00 0.03 0.00 0.00 46.19 43.92 3nnk s LEU 16 CO 0.06 -1.65 1.34 0.23 0.23 0.00 0.00 176.35 176.56 3nnk n MET 17 N 8.67 3.15 0.00 1.70 2.81 0.31 -4.43 117.12 129.33 3nnk n MET 17 Ca 0.04 -3.88 0.00 0.00 -1.81 0.00 0.00 57.70 52.05 3nnk n MET 17 Cb 0.48 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 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 -0.81 2.36 0.18 3.03 0.00 -1.08 -0.82 105.19 108.04 3nnk n GLY 18 Ca 0.44 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 1.25 0.00 1.61 -0.04 -1.26 -3.20 135.00 133.36 3nnk n PRO 19 Ca 0.00 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 3nnk n PRO 19 Cb 0.00 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nnk n GLY 20 N 1.03 3.29 3.77 0.55 0.00 -1.26 -4.95 105.19 107.62 3nnk n GLY 20 Ca 0.20 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 3nnk n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 21 N -3.62 2.63 0.41 1.61 0.04 -1.26 -5.15 135.00 129.66 3nnk s PRO 21 Ca 0.00 1.35 0.07 0.00 0.04 0.00 0.00 61.00 62.46 3nnk s PRO 21 Cb 0.00 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 3nnk s PRO 21 CO 0.00 -1.38 0.09 0.96 0.04 0.00 0.00 177.00 176.71 3nnk s ILE 22 N -2.46 2.19 0.19 0.56 -5.25 -0.65 -4.83 121.20 110.94 3nnk s ILE 22 Ca 0.66 -1.86 -0.33 0.00 -0.99 0.00 0.00 60.65 58.13 3nnk s ILE 22 Cb -0.20 -2.98 -0.15 0.00 2.95 0.00 0.00 42.46 42.08 3nnk s ILE 22 CO 0.45 -0.02 1.31 0.59 -1.79 0.00 0.00 174.94 175.49 3nnk n ASN 23 N -1.09 2.08 -4.81 4.36 4.13 -1.26 -4.86 115.26 113.80 3nnk n ASN 23 Ca -0.03 1.13 -0.33 0.00 1.68 0.00 0.00 54.58 57.03 3nnk n ASN 23 Cb 0.65 -1.31 -0.05 0.00 -1.54 0.00 0.00 39.78 37.53 3nnk n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk s ALA 24 N 0.02 2.96 0.06 5.41 0.00 -1.26 -4.51 121.76 124.44 3nnk s ALA 24 Ca 0.73 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 3nnk s ALA 24 Cb -0.77 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.09 3nnk s ALA 24 CO 0.49 -0.11 1.58 0.34 0.00 0.00 0.00 175.76 178.07 3nnk s ASP 25 N -2.19 6.67 0.53 0.00 -1.08 0.01 -4.91 116.67 115.71 3nnk s ASP 25 Ca 0.64 2.40 0.32 0.00 -0.52 0.00 0.00 52.55 55.39 3nnk s ASP 25 Cb -0.12 -2.56 1.49 0.00 -1.46 0.00 0.00 42.92 40.26 3nnk s ASP 25 CO 0.18 -0.83 1.86 -0.65 0.52 0.00 0.00 175.17 176.25 3nnk h PRO 26 N 8.07 0.02 -0.30 4.34 0.11 -1.95 0.33 132.00 142.62 3nnk h PRO 26 Ca -0.41 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.54 3nnk h PRO 26 Cb 1.20 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3nnk h PRO 26 CO 0.92 0.01 -0.43 0.00 -0.21 0.00 0.00 178.00 178.29 3nnk h ARG 27 N 0.02 0.75 -0.30 1.05 -0.00 -1.95 -1.41 114.38 112.54 3nnk h ARG 27 Ca 0.47 -0.41 -0.02 0.00 -0.50 0.00 0.00 59.98 59.52 3nnk h ARG 27 Cb 1.84 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.82 3nnk h ARG 27 CO -0.01 1.03 0.11 0.28 0.00 0.00 0.00 179.97 181.37 3nnk h VAL 28 N 0.60 1.19 -0.30 2.04 2.07 -1.26 -1.66 116.25 118.93 3nnk h VAL 28 Ca 0.04 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.03 3nnk h VAL 28 Cb 0.99 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 3nnk h VAL 28 CO 0.09 0.20 -0.08 -0.07 0.02 0.00 0.00 177.57 177.74 3nnk h LEU 29 N 0.32 -0.28 -1.00 2.57 3.38 -1.26 -2.35 115.31 116.69 3nnk h LEU 29 Ca 0.10 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3nnk h LEU 29 Cb 0.21 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3nnk h LEU 29 CO -0.01 -0.10 0.09 0.03 0.09 0.00 0.00 178.44 178.55 3nnk h ARG 30 N -0.00 0.82 0.00 1.13 3.08 -1.17 -2.37 114.38 115.86 3nnk h ARG 30 Ca 0.14 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3nnk h ARG 30 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3nnk h ARG 30 CO -0.31 0.76 -0.10 0.00 -1.07 0.00 0.00 179.97 179.25 3nnk h ALA 31 N 1.32 1.21 0.00 0.04 0.00 -0.87 -2.31 119.26 118.65 3nnk h ALA 31 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3nnk h ALA 31 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3nnk h ALA 31 CO 0.00 0.13 0.00 0.52 0.00 0.00 0.00 179.25 179.90 3nnk h MET 32 N 0.00 0.00 -0.01 0.00 2.86 -0.91 -3.15 114.93 113.73 3nnk h MET 32 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3nnk h MET 32 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3nnk h MET 32 CO 0.01 0.00 -0.11 -1.13 1.06 0.00 0.00 176.91 176.75 3nnk n SER 33 N -2.54 0.71 -4.77 1.22 3.41 -0.87 -4.92 113.62 105.87 3nnk n SER 33 Ca 0.05 -0.84 -0.38 0.00 -0.26 0.00 0.00 58.87 57.43 3nnk n SER 33 Cb 0.44 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3nnk n SER 33 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3nnk s SER 34 N -2.35 6.30 0.93 4.04 0.15 -1.19 -5.01 113.70 116.58 3nnk s SER 34 Ca 0.31 2.46 -0.12 0.00 0.70 0.00 0.00 55.95 59.30 3nnk s SER 34 Cb 0.20 -2.62 0.15 0.00 -1.71 0.00 0.00 66.02 62.04 3nnk s SER 34 CO 0.45 -0.84 1.09 -1.10 1.20 0.00 0.00 173.24 174.04 3nnk s GLN 35 N -2.40 0.95 0.08 5.44 -1.52 -1.26 -4.98 119.66 115.97 3nnk s GLN 35 Ca 0.59 0.91 0.01 0.00 -1.95 0.00 0.00 55.36 54.92 3nnk s GLN 35 Cb -0.33 -1.77 -0.04 0.00 -0.22 0.00 0.00 33.01 30.65 3nnk s GLN 35 CO 0.41 -2.48 0.22 -0.51 -0.25 0.00 0.00 175.29 172.69 3nnk s LEU 36 N -6.39 4.33 0.45 2.90 1.43 -1.26 -5.07 118.68 115.06 3nnk s LEU 36 Ca 0.64 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3nnk s LEU 36 Cb -0.19 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 3nnk s LEU 36 CO 0.58 0.14 0.13 0.27 0.23 0.00 0.00 176.35 177.70 3nnk s ILE 37 N -1.56 1.94 1.03 -0.59 -0.00 -1.26 -5.14 121.20 115.62 3nnk s ILE 37 Ca 0.35 -1.81 -0.12 0.00 -0.00 0.00 0.00 60.65 59.07 3nnk s ILE 37 Cb -0.13 -2.75 0.21 0.00 -0.00 0.00 0.00 42.46 39.79 3nnk s ILE 37 CO 0.28 0.00 1.07 -0.83 -0.00 0.00 0.00 174.94 175.46 3nnk s GLY 38 N -3.89 1.60 0.15 6.27 0.00 -1.26 -4.96 107.32 105.23 3nnk s GLY 38 Ca 0.32 0.02 -0.14 0.00 0.00 0.00 0.00 44.72 44.92 3nnk s GLY 38 CO 0.18 0.61 1.72 -1.61 0.00 0.00 0.00 173.10 173.99 3nnk h GLN 39 N -2.13 0.75 -0.32 2.90 4.15 -2.01 -3.21 115.11 115.25 3nnk h GLN 39 Ca -0.54 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 58.75 3nnk h GLN 39 Cb 1.31 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3nnk h GLN 39 CO 0.50 0.65 0.00 0.66 -1.93 0.00 0.00 178.83 178.71 3nnk n TYR 40 N -4.57 0.72 -1.75 3.99 4.01 -1.26 -4.60 117.16 113.70 3nnk n TYR 40 Ca 0.02 -0.67 -0.42 0.00 -0.16 0.00 0.00 57.90 56.67 3nnk n TYR 40 Cb 0.14 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 3nnk n TYR 40 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3nnk s ASP 41 N -1.41 6.38 0.53 7.72 -1.08 -1.21 -4.83 116.67 122.77 3nnk s ASP 41 Ca 0.33 2.89 0.34 0.00 -0.52 0.00 0.00 52.55 55.59 3nnk s ASP 41 Cb 0.23 -2.61 1.50 0.00 -1.46 0.00 0.00 42.92 40.58 3nnk s ASP 41 CO 0.13 -0.95 1.83 -0.65 0.52 0.00 0.00 175.17 176.05 3nnk h PRO 42 N 6.12 0.02 -0.69 4.34 0.11 -1.94 0.37 132.00 140.33 3nnk h PRO 42 Ca -0.44 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 3nnk h PRO 42 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3nnk h PRO 42 CO 0.90 0.02 0.13 0.00 -0.21 0.00 0.00 178.00 178.84 3nnk h ALA 43 N 1.47 0.93 -0.09 -0.75 0.00 -1.95 -1.16 119.26 117.71 3nnk h ALA 43 Ca 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3nnk h ALA 43 Cb 2.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3nnk h ALA 43 CO -0.02 0.67 -0.06 1.98 0.00 0.00 0.00 179.25 181.82 3nnk h MET 44 N 1.05 0.19 0.00 0.00 -1.53 -0.54 -0.73 114.93 113.38 3nnk h MET 44 Ca 0.21 -0.09 -0.06 0.00 -3.44 0.00 0.00 59.70 56.32 3nnk h MET 44 Cb 0.42 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 3nnk h MET 44 CO 0.01 0.58 -0.29 1.79 0.14 0.00 0.00 176.91 179.14 3nnk h THR 45 N -0.20 0.79 -0.04 -0.77 1.35 -1.51 0.05 112.91 112.58 3nnk h THR 45 Ca 0.02 -1.20 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 3nnk h THR 45 Cb 0.54 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3nnk h THR 45 CO 0.02 0.28 -0.04 -0.74 -0.25 0.00 0.00 175.52 174.79 3nnk h HIS 46 N 0.00 0.12 -0.54 4.73 6.17 -1.17 -2.27 115.15 122.19 3nnk h HIS 46 Ca -0.00 -0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 3nnk h HIS 46 Cb 0.72 -0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.60 3nnk h HIS 46 CO 0.00 0.54 0.33 1.88 0.71 0.00 0.00 177.93 181.39 3nnk h TYR 47 N -0.34 0.70 -0.23 5.26 0.99 -0.78 0.32 116.97 122.89 3nnk h TYR 47 Ca 0.01 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3nnk h TYR 47 Cb 0.52 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.01 3nnk h TYR 47 CO 0.09 0.47 0.08 0.52 -0.00 0.00 0.00 178.16 179.31 3nnk h MET 48 N 0.74 0.35 -0.80 4.88 2.86 -1.01 0.11 114.93 122.07 3nnk h MET 48 Ca 0.20 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3nnk h MET 48 Cb -0.03 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 3nnk h MET 48 CO -0.04 0.43 0.50 -0.91 1.06 0.00 0.00 176.91 177.96 3nnk h ASN 49 N 0.21 0.93 -0.56 1.22 -0.26 -0.94 -1.75 115.58 114.43 3nnk h ASN 49 Ca 0.07 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.74 3nnk h ASN 49 Cb 0.22 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 3nnk h ASN 49 CO -0.00 0.70 0.21 -0.33 -1.06 0.00 0.00 177.43 176.95 3nnk h GLU 50 N 1.09 0.84 -0.27 0.81 5.08 -0.64 -2.24 114.58 119.25 3nnk h GLU 50 Ca 0.29 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3nnk h GLU 50 Cb -0.08 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3nnk h GLU 50 CO -0.06 0.74 0.00 0.28 -1.00 0.00 0.00 179.01 178.97 3nnk h VAL 51 N 0.77 1.17 -0.26 3.13 2.07 -0.38 -1.44 116.25 121.31 3nnk h VAL 51 Ca 0.18 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3nnk h VAL 51 Cb 0.22 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3nnk h VAL 51 CO -0.01 0.22 -0.02 0.24 0.02 0.00 0.00 177.57 178.02 3nnk h MET 52 N 0.40 0.46 -0.27 1.57 2.86 -1.09 -2.74 114.93 116.13 3nnk h MET 52 Ca 0.09 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3nnk h MET 52 Cb 0.26 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3nnk h MET 52 CO 0.01 0.65 0.11 0.00 1.06 0.00 0.00 176.91 178.73 3nnk h ALA 53 N 0.80 0.35 -0.87 6.32 0.00 -1.01 -2.74 119.26 122.11 3nnk h ALA 53 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3nnk h ALA 53 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3nnk h ALA 53 CO 0.02 -0.05 0.48 -0.07 0.00 0.00 0.00 179.25 179.63 3nnk h LEU 54 N 0.29 1.08 -0.70 0.00 3.38 -1.32 -2.67 115.31 115.37 3nnk h LEU 54 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3nnk h LEU 54 Cb 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3nnk h LEU 54 CO -0.01 0.86 0.00 1.88 0.09 0.00 0.00 178.44 181.27 3nnk h TYR 55 N 1.21 0.00 -0.65 1.13 0.05 -1.41 -2.25 116.97 115.05 3nnk h TYR 55 Ca 0.31 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.05 3nnk h TYR 55 Cb 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 3nnk h TYR 55 CO 0.01 0.00 0.24 0.00 -1.05 0.00 0.00 178.16 177.36 3nnk h ARG 56 N 0.00 0.96 -0.08 4.88 3.08 -1.16 -0.18 114.38 121.87 3nnk h ARG 56 Ca 0.00 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 59.72 3nnk h ARG 56 Cb 0.71 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3nnk h ARG 56 CO 0.00 0.79 -0.66 0.78 -1.07 0.00 0.00 179.97 179.81 3nnk h GLY 57 N 1.03 0.38 0.46 0.04 0.00 -1.39 0.21 103.07 103.80 3nnk h GLY 57 Ca 0.22 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3nnk h GLY 57 CO -0.02 0.44 -0.08 -2.08 0.00 0.00 0.00 176.54 174.81 3nnk h VAL 58 N 0.25 1.47 0.00 4.60 2.07 -1.23 -3.19 116.25 120.23 3nnk h VAL 58 Ca -0.02 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 3nnk h VAL 58 Cb 1.20 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3nnk h VAL 58 CO 0.11 0.41 -0.00 -0.26 0.02 0.00 0.00 177.57 177.84 3nnk h PHE 59 N -0.49 0.00 -4.86 1.57 0.04 -1.13 -3.46 116.94 108.60 3nnk h PHE 59 Ca -0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 3nnk h PHE 59 Cb 0.70 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.96 3nnk h PHE 59 CO 0.14 0.00 -0.48 0.54 -0.60 0.00 0.00 178.31 177.91 3nnk n ARG 60 N -3.09 -1.53 -4.00 1.51 5.12 -0.70 -3.03 116.66 110.95 3nnk n ARG 60 Ca 0.01 0.84 -0.08 0.00 -1.93 0.00 0.00 57.85 56.68 3nnk n ARG 60 Cb 0.31 -4.82 -0.09 0.00 -1.16 0.00 0.00 32.46 26.71 3nnk n ARG 60 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3nnk s THR 61 N -3.22 0.16 -1.16 0.55 -1.32 -0.02 -3.00 115.64 107.63 3nnk s THR 61 Ca 0.25 -1.54 0.14 0.00 -1.21 0.00 0.00 61.69 59.33 3nnk s THR 61 Cb -0.03 -1.56 0.39 0.00 -1.51 0.00 0.00 72.50 69.79 3nnk s THR 61 CO 0.57 -0.72 1.32 -0.62 -2.21 0.00 0.00 174.62 172.97 3nnk n GLU 62 N -0.02 2.85 -1.81 7.08 1.02 -1.26 -4.60 120.64 123.91 3nnk n GLU 62 Ca -0.12 -2.21 -0.42 0.00 -0.02 0.00 0.00 57.16 54.39 3nnk n GLU 62 Cb 0.62 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 3nnk n GLU 62 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3nnk s ASN 63 N -1.01 6.53 0.23 1.62 0.01 -1.26 -4.90 114.94 116.16 3nnk s ASN 63 Ca 0.29 2.53 -0.07 0.00 -0.71 0.00 0.00 52.86 54.91 3nnk s ASN 63 Cb 0.15 -2.54 0.32 0.00 0.41 0.00 0.00 41.25 39.60 3nnk s ASN 63 CO 0.20 -0.99 1.81 -0.09 -1.51 0.00 0.00 177.10 176.52 3nnk h ARG 64 N 9.77 0.71 -3.25 -0.60 2.43 -1.96 -3.28 114.38 118.21 3nnk h ARG 64 Ca -0.45 -0.04 -0.76 0.00 -0.81 0.00 0.00 59.98 57.91 3nnk h ARG 64 Cb 1.21 -0.16 -0.17 0.00 -0.42 0.00 0.00 29.97 30.44 3nnk h ARG 64 CO 0.94 0.47 1.92 0.91 -1.51 0.00 0.00 179.97 182.70 3nnk n TRP 65 N -4.77 2.77 -4.06 2.20 7.02 -1.26 -4.89 117.44 114.45 3nnk n TRP 65 Ca 0.11 -2.76 -0.34 0.00 -1.02 0.00 0.00 57.50 53.49 3nnk n TRP 65 Cb 0.23 -1.82 -0.14 0.00 -2.42 0.00 0.00 31.31 27.15 3nnk n TRP 65 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3nnk s THR 66 N -0.38 3.06 0.00 -0.99 2.01 -1.24 -1.50 115.64 116.61 3nnk s THR 66 Ca 0.41 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 3nnk s THR 66 Cb 0.11 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.26 3nnk s THR 66 CO -0.00 0.46 0.01 1.15 -0.69 0.00 0.00 174.62 175.55 3nnk n MET 67 N 4.59 0.01 -4.66 4.92 0.00 -0.51 -4.46 117.12 117.02 3nnk n MET 67 Ca -0.19 -0.03 -0.30 0.00 0.00 0.00 0.00 57.70 57.18 3nnk n MET 67 Cb 0.51 0.03 -0.13 0.00 0.00 0.00 0.00 33.22 33.63 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 2.52 -0.19 3.17 1.43 -1.26 -0.22 118.68 124.13 3nnk s LEU 68 Ca 0.00 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3nnk s LEU 68 Cb -0.00 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 3nnk s LEU 68 CO 0.00 0.24 0.01 -0.69 0.23 0.00 0.00 176.35 176.14 3nnk s VAL 69 N -0.93 4.11 -1.20 -1.59 1.01 -0.62 -4.94 120.40 116.24 3nnk s VAL 69 Ca 0.14 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 3nnk s VAL 69 Cb -0.10 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3nnk s VAL 69 CO 0.05 0.44 1.89 0.47 0.00 0.00 0.00 175.10 177.95 3nnk n ASP 70 N 4.03 3.77 -3.66 3.32 10.43 -1.26 -2.04 116.55 131.13 3nnk n ASP 70 Ca -0.17 -2.79 0.01 0.00 2.57 0.00 0.00 54.79 54.41 3nnk n ASP 70 Cb 0.52 -1.66 0.00 0.00 1.84 0.00 0.00 41.12 41.82 3nnk n ASP 70 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3nnk s GLY 71 N 5.15 -0.27 1.23 0.44 0.00 -1.19 -5.00 107.32 107.68 3nnk s GLY 71 Ca 0.60 0.38 -0.19 0.00 0.00 0.00 0.00 44.72 45.50 3nnk s GLY 71 CO 0.09 1.96 1.06 -0.51 0.00 0.00 0.00 173.10 175.71 3nnk s THR 72 N -2.33 1.58 0.28 0.90 -4.23 -1.26 -1.88 115.64 108.69 3nnk s THR 72 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 3nnk s THR 72 Cb 0.02 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.79 3nnk s THR 72 CO -0.02 0.00 1.66 0.28 -0.54 0.00 0.00 174.62 176.00 3nnk h SER 73 N -2.72 0.03 0.69 3.99 0.02 -1.81 0.20 113.55 113.96 3nnk h SER 73 Ca -0.47 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3nnk h SER 73 Cb 1.31 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.09 3nnk h SER 73 CO 0.36 -0.10 0.00 -2.11 -1.14 0.00 0.00 176.83 173.84 3nnk n ARG 74 N -5.19 0.28 -0.02 3.45 1.85 -1.26 -2.27 116.66 113.50 3nnk n ARG 74 Ca 0.19 0.01 -0.09 0.00 -1.00 0.00 0.00 57.85 56.96 3nnk n ARG 74 Cb 0.61 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.58 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 3.26 0.73 -0.03 2.89 0.00 -1.25 -2.57 119.26 122.29 3nnk h ALA 75 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3nnk h ALA 75 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3nnk h ALA 75 CO 0.00 0.67 -0.65 0.78 0.00 0.00 0.00 179.25 180.05 3nnk h GLY 76 N 0.99 0.14 0.88 0.00 0.00 -1.49 -0.43 103.07 103.16 3nnk h GLY 76 Ca 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3nnk h GLY 76 CO 0.09 0.16 0.06 -2.22 0.00 0.00 0.00 176.54 174.64 3nnk h ILE 77 N 0.09 1.21 -0.40 2.60 2.04 -1.53 -2.79 117.51 118.73 3nnk h ILE 77 Ca -0.01 -0.70 -0.14 0.00 1.00 0.00 0.00 64.86 65.01 3nnk h ILE 77 Cb 1.16 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3nnk h ILE 77 CO 0.09 0.23 -0.28 -0.08 0.00 0.00 0.00 178.15 178.11 3nnk h GLU 78 N 0.25 0.90 -0.51 2.37 4.81 -1.36 -2.00 114.58 119.05 3nnk h GLU 78 Ca 0.08 -0.43 0.10 0.00 -0.13 0.00 0.00 59.36 58.98 3nnk h GLU 78 Cb 0.28 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 3nnk h GLU 78 CO 0.00 1.09 -0.07 0.00 -0.73 0.00 0.00 179.01 179.30 3nnk h ALA 79 N 0.80 0.41 -0.43 2.92 0.00 -1.09 0.39 119.26 122.26 3nnk h ALA 79 Ca 0.08 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3nnk h ALA 79 Cb 0.86 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3nnk h ALA 79 CO 0.08 -0.42 0.02 0.82 0.00 0.00 0.00 179.25 179.75 3nnk h ILE 80 N 0.05 1.26 -0.13 0.00 2.04 -1.39 -2.63 117.51 116.70 3nnk h ILE 80 Ca 0.25 -0.99 -0.15 0.00 1.00 0.00 0.00 64.86 64.97 3nnk h ILE 80 Cb 0.39 1.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3nnk h ILE 80 CO -0.48 0.34 -0.52 -0.07 0.00 0.00 0.00 178.15 177.42 3nnk h LEU 81 N 0.59 0.69 -1.52 1.44 3.38 -0.68 -1.23 115.31 117.97 3nnk h LEU 81 Ca 0.12 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 3nnk h LEU 81 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3nnk h LEU 81 CO 0.02 1.19 -0.25 0.58 0.09 0.00 0.00 178.44 180.07 3nnk h VAL 82 N 0.23 1.11 0.00 1.22 2.07 -0.33 0.11 116.25 120.66 3nnk h VAL 82 Ca -0.03 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 3nnk h VAL 82 Cb 1.15 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3nnk h VAL 82 CO 0.11 0.24 -0.29 0.28 0.02 0.00 0.00 177.57 177.93 3nnk h SER 83 N 0.00 0.00 0.00 0.57 0.02 -1.38 -3.36 113.55 109.40 3nnk h SER 83 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3nnk h SER 83 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3nnk h SER 83 CO 0.03 0.07 -1.51 0.00 -1.14 0.00 0.00 176.83 174.28 3nnk n ALA 84 N -2.14 3.01 -3.36 3.77 0.00 -0.47 -4.53 120.51 116.80 3nnk n ALA 84 Ca 0.03 -0.41 -0.37 0.00 0.00 0.00 0.00 53.44 52.68 3nnk n ALA 84 Cb 0.56 -0.58 -0.13 0.00 0.00 0.00 0.00 19.45 19.31 3nnk n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nnk s ILE 85 N -3.00 3.55 0.44 0.00 1.01 0.32 -5.05 121.20 118.48 3nnk s ILE 85 Ca -0.03 -1.10 -0.18 0.00 0.00 0.00 0.00 60.65 59.34 3nnk s ILE 85 Cb 0.11 -2.97 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 3nnk s ILE 85 CO 0.69 -0.08 0.92 -0.13 0.00 0.00 0.00 174.94 176.34 3nnk s ARG 86 N 1.38 4.08 0.21 2.79 3.00 -1.26 -4.81 118.95 124.33 3nnk s ARG 86 Ca -0.02 0.97 -0.32 0.00 0.00 0.00 0.00 55.73 56.36 3nnk s ARG 86 Cb -0.19 -2.21 -0.13 0.00 0.00 0.00 0.00 34.95 32.42 3nnk s ARG 86 CO 0.01 -0.09 1.56 -2.30 0.00 0.00 0.00 175.30 174.48 3nnk n PRO 87 N -0.97 2.29 0.00 3.54 -0.02 -1.26 -2.26 135.00 136.31 3nnk n PRO 87 Ca 0.06 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3nnk n PRO 87 Cb 0.54 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3nnk n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nnk n GLY 88 N 3.00 3.12 3.74 -1.23 0.00 -0.45 -5.00 105.19 108.38 3nnk n GLY 88 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 3.13 -4.76 1.61 8.00 -0.96 -4.40 116.55 119.16 3nnk n ASP 89 Ca 0.00 1.13 -0.39 0.00 0.71 0.00 0.00 54.79 56.24 3nnk n ASP 89 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 39.47 3nnk n ASP 89 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3nnk s LYS 90 N -2.33 4.37 -0.02 -1.24 1.02 -1.26 -0.05 119.74 120.23 3nnk s LYS 90 Ca 0.60 0.85 0.03 0.00 0.02 0.00 0.00 55.97 57.48 3nnk s LYS 90 Cb -0.47 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 33.50 3nnk s LYS 90 CO 0.58 0.39 -0.12 0.08 -0.92 0.00 0.00 175.35 175.37 3nnk s VAL 91 N -0.32 0.97 -0.14 3.17 1.01 -0.23 -1.29 120.40 123.56 3nnk s VAL 91 Ca 0.33 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3nnk s VAL 91 Cb -0.19 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3nnk s VAL 91 CO 0.20 0.28 -0.10 -0.22 0.00 0.00 0.00 175.10 175.26 3nnk s LEU 92 N -0.06 2.88 -0.23 3.92 2.96 -0.60 -0.45 118.68 127.09 3nnk s LEU 92 Ca 0.01 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3nnk s LEU 92 Cb -0.07 -1.67 0.06 0.00 0.50 0.00 0.00 46.19 45.01 3nnk s LEU 92 CO 0.00 0.16 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.48 3nnk s VAL 93 N 0.42 1.20 -0.40 1.68 1.01 -0.62 -0.15 120.40 123.54 3nnk s VAL 93 Ca -0.08 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.58 3nnk s VAL 93 Cb -0.15 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3nnk s VAL 93 CO 0.04 -0.16 1.35 -2.84 0.00 0.00 0.00 175.10 173.49 3nnk s PRO 94 N 1.54 3.66 -0.27 2.72 0.02 -1.24 -2.83 135.00 138.60 3nnk s PRO 94 Ca -0.04 0.94 -0.14 0.00 0.02 0.00 0.00 61.00 61.78 3nnk s PRO 94 Cb -0.18 -3.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.31 3nnk s PRO 94 CO -0.07 -1.46 0.31 0.08 -0.33 0.00 0.00 177.00 175.53 3nnk s VAL 95 N 5.09 5.23 0.00 3.83 1.01 0.07 -4.70 120.40 130.93 3nnk s VAL 95 Ca 0.58 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3nnk s VAL 95 Cb -0.13 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3nnk s VAL 95 CO 0.31 0.20 0.71 2.22 0.00 0.00 0.00 175.10 178.54 3nnk n PHE 96 N 5.11 0.00 -3.87 5.22 1.16 -1.26 -2.39 117.46 121.44 3nnk n PHE 96 Ca -0.10 -0.22 0.01 0.00 -1.87 0.00 0.00 57.45 55.26 3nnk n PHE 96 Cb 0.51 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 3nnk n PHE 96 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3nnk n GLY 97 N -0.22 0.57 0.37 4.97 0.00 -1.26 -4.48 105.19 105.14 3nnk n GLY 97 Ca 0.00 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.23 3nnk n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3nnk h ARG 98 N 0.00 0.76 0.00 1.61 1.12 -1.95 -1.88 114.38 114.04 3nnk h ARG 98 Ca -0.05 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 3nnk h ARG 98 Cb 0.26 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 3nnk h ARG 98 CO 0.07 0.50 0.00 1.19 -3.11 0.00 0.00 179.97 178.62 3nnk n PHE 99 N -4.55 0.91 -0.23 2.20 3.72 -1.26 -2.54 117.46 115.71 3nnk n PHE 99 Ca 0.16 0.27 -0.07 0.00 -0.05 0.00 0.00 57.45 57.76 3nnk n PHE 99 Cb 0.39 -0.94 0.04 0.00 -0.94 0.00 0.00 39.48 38.02 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 4.38 1.07 1.96 1.37 0.00 -1.67 -2.98 103.07 107.21 3nnk h GLY 100 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 3nnk h GLY 100 CO 0.00 0.59 -0.44 0.45 0.00 0.00 0.00 176.54 177.14 3nnk h HIS 101 N 0.93 0.06 -0.59 5.60 3.86 -1.53 -2.73 115.15 120.74 3nnk h HIS 101 Ca 0.21 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 3nnk h HIS 101 Cb 0.29 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 3nnk h HIS 101 CO 0.02 0.48 0.12 1.25 0.86 0.00 0.00 177.93 180.66 3nnk h LEU 102 N 0.04 0.92 -0.93 2.43 5.85 -1.43 -1.35 115.31 120.84 3nnk h LEU 102 Ca -0.00 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 3nnk h LEU 102 Cb 0.80 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3nnk h LEU 102 CO 0.06 0.93 0.42 -0.07 -0.34 0.00 0.00 178.44 179.44 3nnk h LEU 103 N 0.87 1.07 -0.68 2.25 3.38 -1.41 -1.24 115.31 119.54 3nnk h LEU 103 Ca 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3nnk h LEU 103 Cb 0.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3nnk h LEU 103 CO 0.01 0.89 0.44 0.00 0.09 0.00 0.00 178.44 179.87 3nnk h GLU 105 N 0.93 0.48 -0.48 0.00 4.39 -1.02 -2.33 114.58 116.54 3nnk h GLU 105 Ca 0.25 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.66 3nnk h GLU 105 Cb -0.09 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 3nnk h GLU 105 CO -0.05 0.93 0.26 0.82 -1.16 0.00 0.00 179.01 179.81 3nnk h ILE 106 N 0.09 1.00 -0.53 3.13 2.04 -1.19 -1.68 117.51 120.37 3nnk h ILE 106 Ca 0.00 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3nnk h ILE 106 Cb 0.92 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3nnk h ILE 106 CO 0.07 0.10 0.20 0.00 0.00 0.00 0.00 178.15 178.52 3nnk h ALA 107 N 1.24 1.37 -0.75 1.87 0.00 -1.35 -1.84 119.26 119.79 3nnk h ALA 107 Ca 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3nnk h ALA 107 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3nnk h ALA 107 CO -0.12 0.47 0.25 -0.09 0.00 0.00 0.00 179.25 179.76 3nnk h ARG 108 N 0.75 1.15 0.00 0.00 2.43 -0.81 -1.49 114.38 116.41 3nnk h ARG 108 Ca 0.18 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3nnk h ARG 108 Cb 0.16 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3nnk h ARG 108 CO -0.02 0.97 -0.33 0.00 -1.51 0.00 0.00 179.97 179.09 3nnk h ARG 109 N 1.11 0.00 0.00 0.20 2.47 -0.94 -0.89 114.38 116.32 3nnk h ARG 109 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 3nnk h ARG 109 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3nnk h ARG 109 CO -0.01 0.33 0.00 0.00 0.56 0.00 0.00 179.97 180.85 3nnk n ARG 111 N -1.22 -1.84 -2.55 0.00 1.74 -0.34 -4.18 116.66 108.27 3nnk n ARG 111 Ca 0.14 0.62 -0.31 0.00 -0.77 0.00 0.00 57.85 57.52 3nnk n ARG 111 Cb 0.17 -4.83 -0.03 0.00 -1.02 0.00 0.00 32.46 26.76 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 -2.77 3.19 -0.33 7.54 0.00 -0.61 -1.33 121.76 127.46 3nnk s ALA 112 Ca 0.07 -0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 3nnk s ALA 112 Cb -0.03 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.16 3nnk s ALA 112 CO 0.09 -0.18 0.96 -2.00 0.00 0.00 0.00 175.76 174.63 3nnk s GLU 113 N -4.08 3.99 -0.36 0.00 2.12 0.93 -4.57 118.70 116.73 3nnk s GLU 113 Ca 0.55 0.82 -0.17 0.00 0.36 0.00 0.00 54.97 56.54 3nnk s GLU 113 Cb -0.10 -3.75 -0.00 0.00 0.26 0.00 0.00 34.13 30.54 3nnk s GLU 113 CO 0.33 -0.85 0.46 0.08 -0.54 0.00 0.00 175.26 174.74 3nnk s VAL 114 N 3.41 5.07 -0.10 3.70 1.01 -1.26 -1.07 120.40 131.16 3nnk s VAL 114 Ca 0.40 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 3nnk s VAL 114 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3nnk s VAL 114 CO 0.15 -0.21 0.05 -1.00 0.00 0.00 0.00 175.10 174.10 3nnk s HIS 115 N 2.25 3.32 0.01 5.22 3.76 0.40 -4.98 115.29 125.26 3nnk s HIS 115 Ca 0.16 0.30 0.02 0.00 -0.15 0.00 0.00 55.06 55.39 3nnk s HIS 115 Cb -0.16 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 3nnk s HIS 115 CO 0.13 0.55 -0.06 0.95 -0.85 0.00 0.00 174.74 175.46 3nnk s THR 116 N -0.88 0.47 0.09 1.30 -4.23 -1.26 -1.59 115.64 109.53 3nnk s THR 116 Ca 0.13 -0.46 0.10 0.00 -1.18 0.00 0.00 61.69 60.29 3nnk s THR 116 Cb -0.12 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 3nnk s THR 116 CO 0.03 -0.01 -0.27 0.27 -0.54 0.00 0.00 174.62 174.10 3nnk s ILE 117 N -0.46 2.21 0.02 2.99 -4.36 -1.13 -4.99 121.20 115.48 3nnk s ILE 117 Ca -0.01 -1.59 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 3nnk s ILE 117 Cb -0.04 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 3nnk s ILE 117 CO -0.00 0.22 -0.11 -1.61 0.24 0.00 0.00 174.94 173.67 3nnk s GLU 118 N -1.69 0.82 0.22 0.37 2.02 -1.26 -0.75 118.70 118.43 3nnk s GLU 118 Ca 0.13 -0.55 0.11 0.00 0.02 0.00 0.00 54.97 54.68 3nnk s GLU 118 Cb -0.10 -0.79 -0.05 0.00 0.10 0.00 0.00 34.13 33.30 3nnk s GLU 118 CO 0.04 0.20 -0.21 0.14 0.02 0.00 0.00 175.26 175.46 3nnk s VAL 119 N -0.59 2.25 0.26 2.63 -7.23 -1.01 -5.00 120.40 111.73 3nnk s VAL 119 Ca 0.02 -2.17 -0.30 0.00 -1.81 0.00 0.00 61.98 57.71 3nnk s VAL 119 Cb -0.06 -2.14 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 3nnk s VAL 119 CO 0.00 -0.30 1.03 -2.16 -0.31 0.00 0.00 175.10 173.36 3nnk s PRO 120 N -3.10 4.74 0.00 4.82 0.04 -1.26 -4.61 135.00 135.63 3nnk s PRO 120 Ca 0.24 1.67 -0.35 0.00 0.04 0.00 0.00 61.00 62.60 3nnk s PRO 120 Cb -0.06 -3.23 -0.13 0.00 0.04 0.00 0.00 34.50 31.12 3nnk s PRO 120 CO 0.11 0.35 1.72 0.91 0.04 0.00 0.00 177.00 180.13 3nnk n TRP 121 N 1.33 2.23 -3.93 0.56 7.02 -1.26 0.58 117.44 123.97 3nnk n TRP 121 Ca -0.01 0.18 -0.29 0.00 -1.02 0.00 0.00 57.50 56.35 3nnk n TRP 121 Cb 0.46 -2.58 -0.13 0.00 -2.42 0.00 0.00 31.31 26.63 3nnk n TRP 121 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3nnk s GLY 122 N 2.61 2.61 0.53 6.99 0.00 -1.26 -5.01 107.32 113.79 3nnk s GLY 122 Ca 0.87 -3.46 0.05 0.00 0.00 0.00 0.00 44.72 42.19 3nnk s GLY 122 CO 0.47 1.04 0.38 -0.54 0.00 0.00 0.00 173.10 174.45 3nnk s GLU 123 N -0.68 2.26 0.12 2.90 2.02 0.20 -2.88 118.70 122.63 3nnk s GLU 123 Ca 0.20 -2.01 0.05 0.00 0.02 0.00 0.00 54.97 53.22 3nnk s GLU 123 Cb -0.19 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 3nnk s GLU 123 CO -0.06 -0.58 -0.11 0.54 0.02 0.00 0.00 175.26 175.07 3nnk s VAL 124 N -2.76 1.13 0.27 2.63 0.11 -1.26 -4.90 120.40 115.63 3nnk s VAL 124 Ca 0.34 -1.78 -0.23 0.00 -2.93 0.00 0.00 61.98 57.37 3nnk s VAL 124 Cb -0.02 -1.55 -0.09 0.00 -1.53 0.00 0.00 36.38 33.19 3nnk s VAL 124 CO 0.21 -0.56 0.84 -0.36 -3.33 0.00 0.00 175.10 171.90 3nnk s PHE 125 N -2.57 3.69 0.19 1.54 0.08 -1.26 -5.04 117.98 114.61 3nnk s PHE 125 Ca 0.10 1.61 -0.17 0.00 0.12 0.00 0.00 56.93 58.59 3nnk s PHE 125 Cb -0.02 -2.79 -0.08 0.00 -0.57 0.00 0.00 43.02 39.56 3nnk s PHE 125 CO 0.01 0.28 0.64 0.99 -0.10 0.00 0.00 175.22 177.05 3nnk s THR 126 N -1.55 4.70 0.44 0.64 2.01 -1.26 -4.78 115.64 115.84 3nnk s THR 126 Ca 0.46 1.07 0.14 0.00 0.31 0.00 0.00 61.69 63.67 3nnk s THR 126 Cb -0.18 -3.80 0.32 0.00 0.01 0.00 0.00 72.50 68.86 3nnk s THR 126 CO 0.23 0.21 1.99 -0.65 -0.69 0.00 0.00 174.62 175.72 3nnk h PRO 127 N 3.45 0.39 -0.19 4.92 0.11 -1.97 -1.65 132.00 137.05 3nnk h PRO 127 Ca -0.48 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 3nnk h PRO 127 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3nnk h PRO 127 CO 0.65 0.26 -0.38 -0.44 -0.21 0.00 0.00 178.00 177.88 3nnk h ASP 128 N 0.40 0.44 -0.43 -2.05 3.32 -1.99 -2.19 116.42 113.92 3nnk h ASP 128 Ca 0.25 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3nnk h ASP 128 Cb 0.48 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3nnk h ASP 128 CO -0.07 0.79 0.06 1.56 -1.72 0.00 0.00 179.24 179.86 3nnk h GLN 129 N 0.35 0.79 0.04 3.56 4.20 -1.70 -2.42 115.11 119.93 3nnk h GLN 129 Ca 0.04 -0.19 -0.28 0.00 0.06 0.00 0.00 58.65 58.28 3nnk h GLN 129 Cb 0.83 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 3nnk h GLN 129 CO 0.07 0.76 -1.54 -0.39 -0.67 0.00 0.00 178.83 177.05 3nnk h VAL 130 N 0.75 1.08 -0.52 -0.54 -1.51 -1.47 -3.18 116.25 110.86 3nnk h VAL 130 Ca 0.16 -2.84 -0.12 0.00 -1.23 0.00 0.00 66.70 62.66 3nnk h VAL 130 Cb 0.37 2.60 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 3nnk h VAL 130 CO 0.01 0.71 -0.15 -0.08 -1.23 0.00 0.00 177.57 176.82 3nnk h GLU 131 N 0.02 1.02 -0.94 5.19 4.81 -1.40 0.50 114.58 123.79 3nnk h GLU 131 Ca -0.23 -0.40 0.09 0.00 -0.13 0.00 0.00 59.36 58.68 3nnk h GLU 131 Cb 1.97 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 31.22 3nnk h GLU 131 CO 0.11 1.09 0.58 -0.44 -0.73 0.00 0.00 179.01 179.62 3nnk h ASP 132 N 0.89 0.89 0.29 1.04 3.45 -1.56 0.24 116.42 121.67 3nnk h ASP 132 Ca 0.13 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 3nnk h ASP 132 Cb 0.73 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 3nnk h ASP 132 CO 0.06 0.53 -0.14 0.00 -1.57 0.00 0.00 179.24 178.12 3nnk h ALA 133 N 1.47 -0.39 -0.57 3.45 0.00 -1.43 -1.99 119.26 119.79 3nnk h ALA 133 Ca 0.43 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.27 3nnk h ALA 133 Cb 0.30 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 3nnk h ALA 133 CO -0.21 -0.52 -0.02 0.28 0.00 0.00 0.00 179.25 178.78 3nnk h VAL 134 N -0.79 0.52 -0.60 0.00 2.07 -0.79 -0.99 116.25 115.67 3nnk h VAL 134 Ca -0.04 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3nnk h VAL 134 Cb 0.51 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 3nnk h VAL 134 CO 0.07 0.02 0.24 0.11 0.02 0.00 0.00 177.57 178.03 3nnk h LYS 135 N 0.10 0.43 -0.24 1.57 1.57 -0.96 0.16 116.57 119.20 3nnk h LYS 135 Ca 0.29 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 3nnk h LYS 135 Cb 0.46 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3nnk h LYS 135 CO -0.50 0.28 -0.06 0.00 -0.57 0.00 0.00 179.45 178.60 3nnk h ARG 136 N 0.44 0.46 0.00 3.15 3.08 -0.41 -3.36 114.38 117.74 3nnk h ARG 136 Ca 0.30 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3nnk h ARG 136 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3nnk h ARG 136 CO -0.28 0.69 -1.18 0.44 -1.07 0.00 0.00 179.97 178.58 3nnk n ILE 137 N -4.56 0.00 -3.26 2.04 -0.00 -0.80 -5.07 119.36 107.70 3nnk n ILE 137 Ca -0.04 -0.25 -0.15 0.00 -0.00 0.00 0.00 62.75 62.31 3nnk n ILE 137 Cb 0.30 0.49 0.01 0.00 -0.00 0.00 0.00 39.64 40.44 3nnk n ILE 137 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3nnk n ARG 138 N -1.68 -1.76 -2.43 6.28 3.00 0.57 -4.99 116.66 115.65 3nnk n ARG 138 Ca -0.01 1.47 -0.29 0.00 -0.01 0.00 0.00 57.85 59.02 3nnk n ARG 138 Cb 0.25 -4.24 -0.00 0.00 0.00 0.00 0.00 32.46 28.47 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 -3.25 3.61 0.14 5.56 0.04 -1.26 -4.92 135.00 134.91 3nnk s PRO 139 Ca 0.14 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 3nnk s PRO 139 Cb -0.03 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 3nnk s PRO 139 CO 0.81 -0.29 1.33 -0.09 0.04 0.00 0.00 177.00 178.80 3nnk h ARG 140 N 0.24 0.42 -5.48 4.56 2.43 -1.55 -3.43 114.38 111.56 3nnk h ARG 140 Ca -0.46 -0.42 -0.51 0.00 -0.81 0.00 0.00 59.98 57.77 3nnk h ARG 140 Cb 1.20 0.12 -0.29 0.00 -0.42 0.00 0.00 29.97 30.57 3nnk h ARG 140 CO 0.62 1.08 -0.82 -0.51 -1.51 0.00 0.00 179.97 178.83 3nnk s LEU 141 N -7.78 2.05 -0.31 3.80 2.01 -1.24 -0.74 118.68 116.48 3nnk s LEU 141 Ca -0.06 -0.30 -0.10 0.00 0.01 0.00 0.00 54.13 53.68 3nnk s LEU 141 Cb 0.09 -0.80 -0.01 0.00 0.01 0.00 0.00 46.19 45.48 3nnk s LEU 141 CO 0.86 0.18 0.15 -0.22 1.01 0.00 0.00 176.35 178.34 3nnk s LEU 142 N -0.45 4.09 -0.33 1.79 2.96 0.12 -1.56 118.68 125.30 3nnk s LEU 142 Ca 0.06 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 3nnk s LEU 142 Cb -0.06 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3nnk s LEU 142 CO -0.00 -0.18 0.14 -0.76 -1.32 0.00 0.00 176.35 174.23 3nnk s LEU 143 N 1.63 4.21 0.13 -0.68 1.43 0.79 -1.27 118.68 124.91 3nnk s LEU 143 Ca 0.05 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.47 3nnk s LEU 143 Cb -0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3nnk s LEU 143 CO 0.07 -0.26 -0.22 0.42 0.23 0.00 0.00 176.35 176.59 3nnk s THR 144 N 1.54 1.89 -0.18 5.49 -4.23 -0.79 -3.73 115.64 115.63 3nnk s THR 144 Ca 0.03 -1.69 -0.06 0.00 -1.18 0.00 0.00 61.69 58.78 3nnk s THR 144 Cb -0.18 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 3nnk s THR 144 CO 0.05 -0.08 0.03 -0.69 -0.54 0.00 0.00 174.62 173.39 3nnk s VAL 145 N -1.34 4.46 -0.05 2.29 1.01 -1.26 -0.12 120.40 125.39 3nnk s VAL 145 Ca 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 3nnk s VAL 145 Cb -0.09 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3nnk s VAL 145 CO 0.05 0.46 0.43 -0.61 0.00 0.00 0.00 175.10 175.43 3nnk h GLN 146 N 6.87 -0.33 -5.01 2.72 4.15 -1.69 -3.42 115.11 118.40 3nnk h GLN 146 Ca -0.35 0.02 -0.67 0.00 0.77 0.00 0.00 58.65 58.42 3nnk h GLN 146 Cb 1.18 0.07 -0.34 0.00 0.21 0.00 0.00 27.48 28.60 3nnk h GLN 146 CO 0.67 -0.22 -0.82 0.20 -1.93 0.00 0.00 178.83 176.73 3nnk s GLY 147 N -2.91 1.48 -0.38 2.39 0.00 -1.26 0.63 107.32 107.27 3nnk s GLY 147 Ca -0.05 -1.29 -0.12 0.00 0.00 0.00 0.00 44.72 43.26 3nnk s GLY 147 CO 0.15 0.36 0.24 -0.35 0.00 0.00 0.00 173.10 173.50 3nnk s ASP 148 N 1.31 5.87 0.45 1.64 -1.08 -0.88 -4.51 116.67 119.47 3nnk s ASP 148 Ca 0.03 -0.93 0.12 0.00 -0.52 0.00 0.00 52.55 51.25 3nnk s ASP 148 Cb -0.14 -2.08 1.00 0.00 -1.46 0.00 0.00 42.92 40.24 3nnk s ASP 148 CO -0.10 -0.40 2.04 0.71 0.52 0.00 0.00 175.17 177.94 3nnk h THR 149 N 5.77 1.09 0.00 1.71 1.35 -1.93 0.20 112.91 121.10 3nnk h THR 149 Ca -0.26 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 3nnk h THR 149 Cb 1.11 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3nnk h THR 149 CO 0.69 0.12 -0.04 0.77 -0.25 0.00 0.00 175.52 176.80 3nnk h SER 150 N 0.19 0.00 0.00 5.36 4.64 -1.97 -2.76 113.55 119.01 3nnk h SER 150 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3nnk h SER 150 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3nnk h SER 150 CO 0.00 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.36 3nnk n THR 151 N -3.34 0.00 -1.10 2.95 -2.24 -0.97 -4.94 114.28 104.64 3nnk n THR 151 Ca -0.02 -0.45 -0.03 0.00 -2.27 0.00 0.00 64.05 61.28 3nnk n THR 151 Cb 0.19 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.21 0.00 -3.51 4.28 -2.24 0.65 -4.82 114.28 108.43 3nnk n THR 152 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 3nnk n THR 152 Cb 0.02 -1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 67.05 3nnk n THR 152 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3nnk s MET 153 N -2.25 3.83 -0.27 -0.78 -1.94 -1.16 -1.43 119.30 115.30 3nnk s MET 153 Ca 0.00 0.28 -0.01 0.00 -1.71 0.00 0.00 55.69 54.24 3nnk s MET 153 Cb 0.00 -2.98 0.04 0.00 2.01 0.00 0.00 34.83 33.90 3nnk s MET 153 CO 0.00 0.54 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.34 3nnk s LEU 154 N -1.91 3.48 -0.05 -0.03 1.98 0.23 -2.08 118.68 120.31 3nnk s LEU 154 Ca 0.34 -1.06 -0.30 0.00 -2.89 0.00 0.00 54.13 50.22 3nnk s LEU 154 Cb -0.14 -1.67 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 3nnk s LEU 154 CO 0.18 -0.18 1.19 -1.58 -1.89 0.00 0.00 176.35 174.07 3nnk s GLN 155 N 1.28 4.36 0.03 1.98 2.00 0.21 -4.80 119.66 124.72 3nnk s GLN 155 Ca -0.03 1.67 -0.30 0.00 -2.00 0.00 0.00 55.36 54.70 3nnk s GLN 155 Cb -0.18 -3.55 -0.07 0.00 0.80 0.00 0.00 33.01 30.01 3nnk s GLN 155 CO -0.03 -0.43 1.60 -2.14 -0.50 0.00 0.00 175.29 173.79 3nnk s PRO 156 N 2.15 4.21 -0.00 1.67 0.02 -1.26 -4.85 135.00 136.94 3nnk s PRO 156 Ca 0.56 2.23 0.12 0.00 0.02 0.00 0.00 61.00 63.92 3nnk s PRO 156 Cb -0.25 -3.67 -0.14 0.00 0.02 0.00 0.00 34.50 30.46 3nnk s PRO 156 CO 0.22 -0.72 0.45 1.28 -0.33 0.00 0.00 177.00 177.89 3nnk n LEU 157 N 5.86 0.43 0.25 -5.54 4.32 -1.26 -4.71 117.00 116.36 3nnk n LEU 157 Ca 0.16 -0.39 0.08 0.00 -0.02 0.00 0.00 56.01 55.83 3nnk n LEU 157 Cb 0.42 0.00 0.62 0.00 -1.62 0.00 0.00 43.42 42.84 3nnk n LEU 157 CO 0.62 0.11 1.04 0.00 -1.22 0.00 0.00 177.39 177.94 3nnk h ALA 158 N 1.53 1.95 0.00 -1.18 0.00 -1.91 -2.96 119.26 116.69 3nnk h ALA 158 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3nnk h ALA 158 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3nnk h ALA 158 CO 0.00 0.03 -1.64 0.39 0.00 0.00 0.00 179.25 178.04 3nnk n GLU 159 N -4.50 0.57 0.18 0.00 1.02 -1.26 -4.47 120.64 112.18 3nnk n GLU 159 Ca -0.03 -0.13 0.04 0.00 -0.02 0.00 0.00 57.16 57.02 3nnk n GLU 159 Cb 0.11 -1.47 0.34 0.00 -0.02 0.00 0.00 31.44 30.40 3nnk n GLU 159 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3nnk h LEU 160 N 0.00 0.00 -0.51 -4.62 4.07 -1.81 -2.99 115.31 109.45 3nnk h LEU 160 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 3nnk h LEU 160 Cb 0.80 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 3nnk h LEU 160 CO 0.00 0.41 -0.04 1.23 -1.08 0.00 0.00 178.44 178.96 3nnk h GLY 161 N 1.64 1.00 1.00 0.83 0.00 -1.67 -0.76 103.07 105.12 3nnk h GLY 161 Ca -0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.49 3nnk h GLY 161 CO 0.05 0.71 0.10 0.83 0.00 0.00 0.00 176.54 178.24 3nnk h GLU 162 N 0.79 0.87 -0.93 4.80 4.39 -1.79 -1.28 114.58 121.43 3nnk h GLU 162 Ca 0.14 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.65 3nnk h GLU 162 Cb 0.58 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 3nnk h GLU 162 CO 0.03 0.84 0.61 0.82 -1.16 0.00 0.00 179.01 180.15 3nnk h ILE 163 N 0.76 1.15 -0.10 3.13 2.04 -1.38 -1.90 117.51 121.21 3nnk h ILE 163 Ca 0.16 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.45 3nnk h ILE 163 Cb 0.38 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3nnk h ILE 163 CO 0.01 0.21 -0.70 0.00 0.00 0.00 0.00 178.15 177.66 3nnk h ARG 165 N 0.32 0.64 -0.27 0.00 2.43 -0.98 0.97 114.38 117.49 3nnk h ARG 165 Ca -0.03 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 3nnk h ARG 165 Cb 1.28 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 3nnk h ARG 165 CO 0.12 0.96 0.12 0.00 -1.51 0.00 0.00 179.97 179.67 3nnk h ARG 166 N 0.52 0.37 -0.25 0.20 3.08 -1.35 -2.92 114.38 114.02 3nnk h ARG 166 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nnk h ARG 166 Cb 0.99 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3nnk h ARG 166 CO 0.09 0.30 0.00 0.66 -1.07 0.00 0.00 179.97 179.95 3nnk n TYR 167 N -4.44 0.43 -3.66 3.04 4.01 -1.17 -5.02 117.16 110.35 3nnk n TYR 167 Ca 0.01 -0.59 -0.28 0.00 -0.16 0.00 0.00 57.90 56.88 3nnk n TYR 167 Cb 0.12 -0.09 0.04 0.00 -0.31 0.00 0.00 39.34 39.10 3nnk n TYR 167 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nnk n ASP 168 N 0.05 -4.42 -4.32 7.72 4.64 -0.19 -4.99 116.55 115.03 3nnk n ASP 168 Ca 0.11 -0.96 -0.30 0.00 -1.38 0.00 0.00 54.79 52.27 3nnk n ASP 168 Cb 0.48 -3.64 -0.15 0.00 -1.04 0.00 0.00 41.12 36.76 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 -3.53 2.15 0.16 -1.67 0.00 0.16 -4.94 121.76 114.09 3nnk s ALA 169 Ca 0.36 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 3nnk s ALA 169 Cb -0.12 -0.49 -0.07 0.00 0.00 0.00 0.00 23.12 22.44 3nnk s ALA 169 CO 0.84 0.52 1.14 -0.51 0.00 0.00 0.00 175.76 177.75 3nnk s LEU 170 N -0.95 4.46 -0.34 0.00 1.43 0.09 -4.54 118.68 118.82 3nnk s LEU 170 Ca 0.11 2.10 -0.06 0.00 -1.03 0.00 0.00 54.13 55.24 3nnk s LEU 170 Cb -0.10 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.56 3nnk s LEU 170 CO 0.01 -0.30 0.10 0.12 0.23 0.00 0.00 176.35 176.51 3nnk s PHE 171 N 0.03 3.25 0.09 0.29 5.36 -1.26 0.13 117.98 125.87 3nnk s PHE 171 Ca 0.52 -1.39 0.07 0.00 -0.96 0.00 0.00 56.93 55.16 3nnk s PHE 171 Cb -0.30 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.07 3nnk s PHE 171 CO 0.34 -0.72 -0.10 -0.47 -1.46 0.00 0.00 175.22 172.82 3nnk s TYR 172 N 1.41 2.76 0.00 10.12 6.14 -0.40 -0.65 117.35 136.72 3nnk s TYR 172 Ca -0.01 -0.14 -0.01 0.00 0.64 0.00 0.00 57.07 57.54 3nnk s TYR 172 Cb -0.19 -1.45 -0.01 0.00 0.42 0.00 0.00 41.96 40.73 3nnk s TYR 172 CO 0.03 0.42 0.02 -0.08 0.64 0.00 0.00 175.55 176.57 3nnk s THR 173 N -1.19 0.04 -0.43 4.34 -1.32 -0.91 -1.89 115.64 114.28 3nnk s THR 173 Ca 0.21 -0.37 -0.20 0.00 -1.21 0.00 0.00 61.69 60.12 3nnk s THR 173 Cb -0.11 -0.15 0.02 0.00 -1.51 0.00 0.00 72.50 70.75 3nnk s THR 173 CO 0.13 -0.20 0.61 -0.62 -2.21 0.00 0.00 174.62 172.33 3nnk s ASP 174 N -0.60 6.31 -0.11 8.08 2.15 0.82 -2.56 116.67 130.77 3nnk s ASP 174 Ca -0.07 -0.34 0.14 0.00 0.43 0.00 0.00 52.55 52.71 3nnk s ASP 174 Cb -0.04 -2.31 0.37 0.00 -0.30 0.00 0.00 42.92 40.65 3nnk s ASP 174 CO -0.00 -0.73 1.28 0.00 -0.17 0.00 0.00 175.17 175.55 3nnk n ALA 175 N 6.15 2.56 -0.16 3.66 0.00 0.03 -1.85 120.51 130.89 3nnk n ALA 175 Ca -0.02 -1.98 0.05 0.00 0.00 0.00 0.00 53.44 51.48 3nnk n ALA 175 Cb 0.48 -0.51 0.34 0.00 0.00 0.00 0.00 19.45 19.76 3nnk n ALA 175 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3nnk h THR 176 N 1.29 1.08 0.00 0.00 1.35 -1.83 0.50 112.91 115.29 3nnk h THR 176 Ca 0.00 -0.27 -0.08 0.00 -0.55 0.00 0.00 66.41 65.51 3nnk h THR 176 Cb 1.10 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 3nnk h THR 176 CO 0.10 0.14 -0.82 0.00 -0.25 0.00 0.00 175.52 174.70 3nnk h ALA 177 N 1.61 0.68 0.00 6.62 0.00 -1.85 -3.39 119.26 122.92 3nnk h ALA 177 Ca 0.28 -0.37 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 3nnk h ALA 177 Cb 0.12 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3nnk h ALA 177 CO -0.08 0.44 -2.30 -1.13 0.00 0.00 0.00 179.25 176.17 3nnk n SER 178 N -2.96 1.32 -4.68 0.00 3.41 -0.84 -4.69 113.62 105.18 3nnk n SER 178 Ca -0.02 -0.06 -0.45 0.00 -0.26 0.00 0.00 58.87 58.08 3nnk n SER 178 Cb 0.68 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 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 -2.94 3.22 0.00 1.04 7.94 0.11 -0.71 117.00 125.65 3nnk n LEU 179 Ca -0.36 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.65 3nnk n LEU 179 Cb 1.02 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.53 3nnk n LEU 179 CO 0.31 -0.33 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 3nnk n GLY 180 N 2.82 2.25 0.09 -3.96 0.00 -1.26 -4.41 105.19 100.72 3nnk n GLY 180 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3nnk n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 181 N 0.00 -0.96 3.30 -0.02 0.00 -0.28 -3.66 105.19 103.57 3nnk n GLY 181 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -6.14 1.75 0.37 1.61 0.01 0.11 -4.60 114.94 108.05 3nnk s ASN 182 Ca -0.06 -1.17 -0.28 0.00 -0.71 0.00 0.00 52.86 50.64 3nnk s ASN 182 Cb 0.08 0.02 -0.10 0.00 0.41 0.00 0.00 41.25 41.65 3nnk s ASN 182 CO 0.82 -0.48 1.39 -2.84 -1.51 0.00 0.00 177.10 174.48 3nnk s PRO 183 N -3.84 4.16 -0.27 -0.60 0.02 -1.26 -4.69 135.00 128.52 3nnk s PRO 183 Ca 0.25 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.63 3nnk s PRO 183 Cb 0.05 -2.96 0.14 0.00 0.02 0.00 0.00 34.50 31.75 3nnk s PRO 183 CO 0.06 -0.41 0.35 -1.17 -0.33 0.00 0.00 177.00 175.50 3nnk s LEU 184 N -2.06 -0.50 -0.86 -5.54 2.96 -1.26 -5.00 118.68 106.42 3nnk s LEU 184 Ca 0.52 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.97 3nnk s LEU 184 Cb -0.42 0.84 0.22 0.00 0.50 0.00 0.00 46.19 47.33 3nnk s LEU 184 CO 0.57 -0.35 0.80 -1.61 -1.32 0.00 0.00 176.35 174.43 3nnk s GLU 185 N 2.46 3.60 0.11 1.98 0.41 -1.26 -4.48 118.70 121.53 3nnk s GLU 185 Ca 0.10 -2.63 -0.27 0.00 -0.41 0.00 0.00 54.97 51.77 3nnk s GLU 185 Cb -0.14 -4.37 -0.08 0.00 -1.78 0.00 0.00 34.13 27.76 3nnk s GLU 185 CO -0.26 -1.27 1.64 1.15 -0.49 0.00 0.00 175.26 176.03 3nnk h THR 186 N 4.61 0.44 0.02 3.63 2.02 -1.46 -0.09 112.91 122.08 3nnk h THR 186 Ca 0.11 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.02 3nnk h THR 186 Cb 1.00 0.44 0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3nnk h THR 186 CO 0.79 0.00 -1.08 0.44 0.37 0.00 0.00 175.52 176.04 3nnk h ASP 187 N -0.44 0.91 -0.41 4.18 5.19 -1.83 -1.51 116.42 122.52 3nnk h ASP 187 Ca 0.04 -0.75 -0.12 0.00 -0.62 0.00 0.00 57.03 55.58 3nnk h ASP 187 Cb 0.48 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3nnk h ASP 187 CO -0.16 1.55 -0.19 0.58 -3.12 0.00 0.00 179.24 177.90 3nnk h VAL 188 N 0.38 1.27 -0.12 -1.35 2.07 -1.83 -2.79 116.25 113.88 3nnk h VAL 188 Ca -0.14 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3nnk h VAL 188 Cb 1.74 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3nnk h VAL 188 CO 0.21 0.46 0.00 0.79 0.02 0.00 0.00 177.57 179.05 3nnk n TRP 189 N -4.12 0.16 -2.07 1.57 8.01 -0.05 -4.91 117.44 116.03 3nnk n TRP 189 Ca 0.00 -0.08 -0.13 0.00 -1.31 0.00 0.00 57.50 55.98 3nnk n TRP 189 Cb 0.43 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.72 3nnk n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3nnk n GLY 190 N 0.84 0.16 3.77 6.99 0.00 -1.05 -3.71 105.19 112.19 3nnk n GLY 190 Ca 0.10 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.61 4.22 -0.19 0.99 1.43 -0.57 -4.77 118.68 116.18 3nnk s LEU 191 Ca 0.00 2.37 0.12 0.00 -1.03 0.00 0.00 54.13 55.59 3nnk s LEU 191 Cb 0.00 -3.98 -0.20 0.00 0.03 0.00 0.00 46.19 42.04 3nnk s LEU 191 CO 0.00 -0.65 -0.02 0.47 0.23 0.00 0.00 176.35 176.38 3nnk n ASP 192 N 0.16 1.09 -3.71 2.29 8.00 0.17 -4.67 116.55 119.89 3nnk n ASP 192 Ca 0.04 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3nnk n ASP 192 Cb 0.46 0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 42.02 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 -2.44 -1.11 -0.01 2.24 0.00 -1.03 0.01 121.76 119.43 3nnk s ALA 193 Ca -0.15 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.19 3nnk s ALA 193 Cb 0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 3nnk s ALA 193 CO 0.67 -0.23 -0.07 0.08 0.00 0.00 0.00 175.76 176.21 3nnk s VAL 194 N 0.56 0.57 0.04 0.00 1.01 -0.48 -2.14 120.40 119.97 3nnk s VAL 194 Ca -0.03 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3nnk s VAL 194 Cb -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3nnk s VAL 194 CO -0.03 0.17 -0.20 -0.94 0.00 0.00 0.00 175.10 174.09 3nnk s SER 195 N -0.12 2.43 0.00 3.32 1.04 -1.06 -1.11 113.70 118.21 3nnk s SER 195 Ca 0.02 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3nnk s SER 195 Cb -0.03 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.88 3nnk s SER 195 CO -0.00 0.16 0.00 0.00 0.98 0.00 0.00 173.24 174.38 3nnk n ALA 196 N 1.93 0.00 -3.45 5.32 0.00 0.14 -0.79 120.51 123.66 3nnk n ALA 196 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 3nnk n ALA 196 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 3nnk n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nnk s GLY 197 N -0.14 0.09 -0.16 0.00 0.00 -1.26 -4.13 107.32 101.72 3nnk s GLY 197 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 44.72 44.34 3nnk s GLY 197 CO 0.00 -0.31 0.21 1.03 0.00 0.00 0.00 173.10 174.03 3nnk n MET 198 N -0.39 0.68 -0.41 2.90 0.00 -1.25 -4.64 117.12 114.01 3nnk n MET 198 Ca -0.06 0.17 -0.04 0.00 0.00 0.00 0.00 57.70 57.78 3nnk n MET 198 Cb 0.61 -1.63 0.02 0.00 0.00 0.00 0.00 33.22 32.22 3nnk n MET 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3nnk n GLN 199 N -3.13 1.21 0.00 0.03 0.00 -1.25 -0.74 117.38 113.49 3nnk n GLN 199 Ca -0.32 -0.44 0.00 0.00 0.00 0.00 0.00 57.00 56.24 3nnk n GLN 199 Cb 1.06 -1.17 0.00 0.00 0.00 0.00 0.00 30.24 30.13 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 0.23 -2.60 0.00 4.07 -1.79 -3.34 115.31 111.88 3nnk h LEU 202 Ca 0.00 -0.89 0.00 0.00 0.08 0.00 0.00 57.88 57.07 3nnk h LEU 202 Cb 0.23 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3nnk h LEU 202 CO 0.00 1.32 0.00 0.61 -1.08 0.00 0.00 178.44 179.29 3nnk n GLY 203 N 1.63 0.40 0.00 0.83 0.00 0.08 -4.76 105.19 103.37 3nnk n GLY 203 Ca -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -1.09 0.50 3.81 -0.02 0.00 -1.26 -0.81 105.19 106.32 3nnk n GLY 204 Ca 0.00 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N 0.00 4.28 0.62 1.61 0.04 -1.26 -3.78 135.00 136.51 3nnk s PRO 205 Ca 0.00 0.86 -0.16 0.00 0.04 0.00 0.00 61.00 61.73 3nnk s PRO 205 Cb 0.00 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 3nnk s PRO 205 CO 0.00 0.52 1.12 -1.54 0.04 0.00 0.00 177.00 177.14 3nnk s SER 206 N -1.38 5.28 0.00 6.66 1.04 -1.26 -4.41 113.70 119.63 3nnk s SER 206 Ca 0.36 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.85 3nnk s SER 206 Cb -0.19 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3nnk s SER 206 CO 0.21 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.53 3nnk n GLY 207 N -0.30 -0.46 2.96 7.32 0.00 -1.26 -4.96 105.19 108.49 3nnk n GLY 207 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3nnk n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nnk s THR 208 N -0.52 0.04 -0.35 2.61 2.01 -0.79 -3.19 115.64 115.45 3nnk s THR 208 Ca 0.00 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.67 3nnk s THR 208 Cb 0.00 -0.17 0.11 0.00 0.01 0.00 0.00 72.50 72.45 3nnk s THR 208 CO 0.00 -0.18 0.14 -0.55 -0.69 0.00 0.00 174.62 173.33 3nnk s SER 209 N -0.56 4.00 0.16 3.53 0.15 -0.87 -3.80 113.70 116.31 3nnk s SER 209 Ca -0.06 -2.02 -0.32 0.00 0.70 0.00 0.00 55.95 54.26 3nnk s SER 209 Cb -0.04 -1.01 -0.10 0.00 -1.71 0.00 0.00 66.02 63.16 3nnk s SER 209 CO -0.00 -0.36 1.58 -2.84 1.20 0.00 0.00 173.24 172.82 3nnk s PRO 210 N 1.13 4.21 0.17 5.44 0.02 -1.26 -1.58 135.00 143.12 3nnk s PRO 210 Ca 0.12 2.38 0.06 0.00 0.02 0.00 0.00 61.00 63.58 3nnk s PRO 210 Cb -0.20 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 3nnk s PRO 210 CO -0.15 -0.62 -0.13 0.96 -0.33 0.00 0.00 177.00 176.73 3nnk s ILE 211 N 1.22 1.44 -0.02 2.83 -4.36 0.69 -0.69 121.20 122.32 3nnk s ILE 211 Ca 0.71 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 59.02 3nnk s ILE 211 Cb -0.44 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.40 3nnk s ILE 211 CO 0.31 -0.62 0.05 0.28 0.24 0.00 0.00 174.94 175.20 3nnk s THR 212 N -2.97 -0.01 -0.15 8.37 -1.32 -0.26 -1.42 115.64 117.88 3nnk s THR 212 Ca 0.18 0.04 -0.00 0.00 -1.21 0.00 0.00 61.69 60.69 3nnk s THR 212 Cb -0.00 -0.08 0.03 0.00 -1.51 0.00 0.00 72.50 70.94 3nnk s THR 212 CO 0.04 0.02 -0.07 -0.76 -2.21 0.00 0.00 174.62 171.63 3nnk s LEU 213 N 0.23 1.49 0.82 9.08 1.43 -0.56 -1.38 118.68 129.78 3nnk s LEU 213 Ca -0.02 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 3nnk s LEU 213 Cb -0.03 -0.92 0.08 0.00 0.03 0.00 0.00 46.19 45.36 3nnk s LEU 213 CO -0.01 -0.15 1.14 -1.54 0.23 0.00 0.00 176.35 176.02 3nnk n SER 214 N 4.89 0.77 0.26 2.29 3.41 0.10 -4.30 113.62 121.04 3nnk n SER 214 Ca -0.12 0.56 0.15 0.00 -0.26 0.00 0.00 58.87 59.20 3nnk n SER 214 Cb 0.49 -1.48 0.70 0.00 -0.26 0.00 0.00 64.21 63.65 3nnk n SER 214 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nnk h ALA 215 N -0.99 1.65 0.19 7.33 0.00 -1.95 0.85 119.26 126.34 3nnk h ALA 215 Ca -0.46 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 3nnk h ALA 215 Cb 1.30 0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.13 3nnk h ALA 215 CO 0.45 -0.54 -1.22 -0.09 0.00 0.00 0.00 179.25 177.85 3nnk h ARG 216 N 0.00 0.49 -0.60 0.00 2.43 -1.91 -3.21 114.38 111.58 3nnk h ARG 216 Ca 0.06 -0.78 -0.03 0.00 -0.81 0.00 0.00 59.98 58.42 3nnk h ARG 216 Cb 1.00 0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 3nnk h ARG 216 CO -0.00 1.37 0.24 0.52 -1.51 0.00 0.00 179.97 180.59 3nnk h MET 217 N 0.01 0.89 -0.22 0.20 2.86 -1.08 -2.99 114.93 114.60 3nnk h MET 217 Ca -0.21 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 3nnk h MET 217 Cb 1.95 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.45 3nnk h MET 217 CO 0.23 0.76 -0.19 1.05 1.06 0.00 0.00 176.91 179.83 3nnk h GLU 218 N 0.83 0.39 -0.54 1.72 4.11 -1.57 -1.20 114.58 118.32 3nnk h GLU 218 Ca 0.20 -0.12 -0.07 0.00 0.07 0.00 0.00 59.36 59.44 3nnk h GLU 218 Cb 0.20 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3nnk h GLU 218 CO -0.02 0.56 0.04 1.49 0.07 0.00 0.00 179.01 181.16 3nnk h GLU 219 N 0.35 0.88 -0.42 1.06 4.81 -1.54 0.30 114.58 120.02 3nnk h GLU 219 Ca 0.06 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.93 3nnk h GLU 219 Cb 0.53 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3nnk h GLU 219 CO 0.04 0.85 -0.27 0.00 -0.73 0.00 0.00 179.01 178.89 3nnk h ALA 220 N 1.22 0.60 -0.31 2.92 0.00 -1.29 -2.93 119.26 119.47 3nnk h ALA 220 Ca 0.16 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3nnk h ALA 220 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3nnk h ALA 220 CO 0.02 0.62 -0.47 0.82 0.00 0.00 0.00 179.25 180.24 3nnk h ILE 221 N 0.76 1.28 0.00 0.00 2.04 -1.00 -3.14 117.51 117.45 3nnk h ILE 221 Ca 0.09 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 3nnk h ILE 221 Cb 0.85 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3nnk h ILE 221 CO 0.07 0.54 -0.06 0.03 0.00 0.00 0.00 178.15 178.73 3nnk h ARG 222 N 0.65 0.00 0.00 2.37 -0.00 -0.40 -1.65 114.38 115.35 3nnk h ARG 222 Ca 0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 3nnk h ARG 222 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.02 3nnk h ARG 222 CO 0.10 0.06 -0.06 0.00 0.00 0.00 0.00 179.97 180.08 3nnk h ARG 223 N 0.00 0.00 0.00 0.04 3.08 -1.46 -2.76 114.38 113.28 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 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3nnk h ARG 223 CO 0.01 0.06 -0.34 0.54 -1.07 0.00 0.00 179.97 179.16 3nnk n ARG 224 N -3.17 0.14 -0.70 0.04 5.12 -0.62 -2.45 116.66 115.02 3nnk n ARG 224 Ca 0.01 0.06 -0.30 0.00 -1.93 0.00 0.00 57.85 55.69 3nnk n ARG 224 Cb 0.35 -1.61 -0.05 0.00 -1.16 0.00 0.00 32.46 29.99 3nnk n ARG 224 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3nnk n LYS 225 N -1.82 0.00 -3.37 5.56 4.81 -1.04 -4.37 118.16 117.93 3nnk n LYS 225 Ca 0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.37 3nnk n LYS 225 Cb 0.39 -0.70 -0.08 0.00 0.02 0.00 0.00 35.03 34.65 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 2.48 5.01 0.15 0.00 1.01 -1.26 -4.89 120.40 122.90 3nnk s VAL 227 Ca 0.10 1.09 -0.33 0.00 0.00 0.00 0.00 61.98 62.84 3nnk s VAL 227 Cb -0.14 -3.86 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 3nnk s VAL 227 CO -0.23 0.42 1.11 1.21 0.00 0.00 0.00 175.10 177.61 3nnk n GLU 228 N 2.88 0.94 0.30 2.72 0.00 -1.26 -4.71 120.64 121.50 3nnk n GLU 228 Ca -0.08 0.34 0.16 0.00 0.00 0.00 0.00 57.16 57.58 3nnk n GLU 228 Cb 0.51 -1.80 0.97 0.00 0.00 0.00 0.00 31.44 31.12 3nnk n GLU 228 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3nnk h GLU 229 N 3.20 0.00 0.00 5.31 -0.00 -1.95 -1.08 114.58 120.06 3nnk h GLU 229 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.93 3nnk h GLU 229 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.11 3nnk h GLU 229 CO 0.69 0.00 0.00 0.78 -0.00 0.00 0.00 179.01 180.48 3nnk h GLY 230 N 0.00 0.00 -0.83 1.06 0.00 -2.02 -3.28 103.07 98.01 3nnk h GLY 230 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3nnk h GLY 230 CO -0.00 0.00 -0.36 0.29 0.00 0.00 0.00 176.54 176.47 3nnk n ILE 231 N -2.57 1.40 -3.05 2.60 -5.35 -0.48 -5.00 119.36 106.91 3nnk n ILE 231 Ca 0.05 -1.97 -0.44 0.00 -0.27 0.00 0.00 62.75 60.12 3nnk n ILE 231 Cb 0.45 0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 38.35 3nnk n ILE 231 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3nnk s ARG 232 N -2.09 3.10 0.00 6.28 3.52 -0.75 -4.86 118.95 124.14 3nnk s ARG 232 Ca 0.28 -1.26 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 3nnk s ARG 232 Cb 0.27 -4.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 3nnk s ARG 232 CO -0.03 -1.61 0.00 0.25 -0.81 0.00 0.00 175.30 173.10 3nnk n THR 233 N 5.59 0.00 0.98 4.11 -2.24 -1.26 -4.99 114.28 116.46 3nnk n THR 233 Ca -0.06 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 3nnk n THR 233 Cb 0.43 -1.78 0.26 0.00 -2.10 0.00 0.00 70.33 67.14 3nnk n THR 233 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3nnk n ASP 234 N -2.71 1.89 -0.02 3.42 8.00 -1.26 -3.60 116.55 122.28 3nnk n ASP 234 Ca 0.00 -1.87 0.08 0.00 0.71 0.00 0.00 54.79 53.71 3nnk n ASP 234 Cb 0.00 -0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 40.75 3nnk n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk n ALA 235 N 0.50 2.61 -1.78 2.24 0.00 -1.26 -4.99 120.51 117.83 3nnk n ALA 235 Ca 0.14 -0.61 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 3nnk n ALA 235 Cb 0.33 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.37 3.84 -0.05 0.00 3.76 -1.24 -5.07 115.29 113.17 3nnk s HIS 236 Ca -0.08 1.84 -0.12 0.00 -0.15 0.00 0.00 55.06 56.55 3nnk s HIS 236 Cb 0.13 -3.09 0.02 0.00 1.11 0.00 0.00 32.58 30.75 3nnk s HIS 236 CO 0.89 0.10 0.28 -0.98 -0.85 0.00 0.00 174.74 174.18 3nnk s ARG 237 N -1.20 0.51 0.67 1.40 1.70 -1.26 -4.97 118.95 115.80 3nnk s ARG 237 Ca 0.43 0.02 -0.13 0.00 -0.47 0.00 0.00 55.73 55.57 3nnk s ARG 237 Cb -0.28 0.23 -0.00 0.00 -0.57 0.00 0.00 34.95 34.33 3nnk s ARG 237 CO 0.35 -0.11 1.08 -0.51 -1.08 0.00 0.00 175.30 175.02 3nnk s ASP 238 N -0.73 5.28 0.24 -2.89 1.01 -1.26 -4.86 116.67 113.46 3nnk s ASP 238 Ca -0.08 1.82 0.00 0.00 0.71 0.00 0.00 52.55 55.00 3nnk s ASP 238 Cb -0.04 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3nnk s ASP 238 CO 0.02 -1.51 0.00 0.61 0.21 0.00 0.00 175.17 174.50 3nnk n GLY 239 N -1.12 0.58 0.14 0.21 0.00 -1.19 -4.99 105.19 98.82 3nnk n GLY 239 Ca 0.09 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 3nnk n GLY 239 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3nnk h ASP 240 N 0.00 0.75 -4.17 1.61 3.45 -1.87 -3.47 116.42 112.72 3nnk h ASP 240 Ca 0.00 -0.91 -0.48 0.00 0.43 0.00 0.00 57.03 56.07 3nnk h ASP 240 Cb 0.00 -0.24 0.08 0.00 -0.56 0.00 0.00 39.33 38.60 3nnk h ASP 240 CO 0.00 1.60 0.32 -1.61 -1.57 0.00 0.00 179.24 177.98 3nnk s GLU 241 N -2.62 2.64 1.06 3.56 2.02 -1.03 -5.07 118.70 119.26 3nnk s GLU 241 Ca -0.10 0.17 -0.13 0.00 0.02 0.00 0.00 54.97 54.93 3nnk s GLU 241 Cb 0.03 -2.10 0.22 0.00 0.10 0.00 0.00 34.13 32.38 3nnk s GLU 241 CO 0.91 -1.06 1.08 -1.83 0.02 0.00 0.00 175.26 174.38 3nnk s GLU 242 N -5.28 -0.04 0.58 1.61 -1.05 -1.26 -4.56 118.70 108.71 3nnk s GLU 242 Ca 0.58 0.50 -0.16 0.00 -0.15 0.00 0.00 54.97 55.74 3nnk s GLU 242 Cb -0.11 -1.68 -0.04 0.00 -0.44 0.00 0.00 34.13 31.86 3nnk s GLU 242 CO 0.48 -3.05 1.06 0.00 0.95 0.00 0.00 175.26 174.70 3nnk s MET 243 N -4.90 3.35 0.07 -4.83 0.23 -1.26 -4.50 119.30 107.46 3nnk s MET 243 Ca 0.66 1.23 -0.31 0.00 -1.03 0.00 0.00 55.69 56.24 3nnk s MET 243 Cb -0.19 -2.04 -0.06 0.00 -1.53 0.00 0.00 34.83 31.01 3nnk s MET 243 CO 0.59 -0.78 1.21 0.42 -2.03 0.00 0.00 175.02 174.42 3nnk s ILE 244 N -2.40 3.99 -1.01 3.16 1.01 -1.26 -4.93 121.20 119.76 3nnk s ILE 244 Ca 0.64 1.44 -0.07 0.00 0.00 0.00 0.00 60.65 62.66 3nnk s ILE 244 Cb -0.16 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 3nnk s ILE 244 CO 0.35 0.12 2.87 -1.22 0.00 0.00 0.00 174.94 177.06 3nnk n TYR 245 N 3.89 1.87 -3.61 3.97 4.01 -1.26 -4.70 117.16 121.32 3nnk n TYR 245 Ca 0.09 -2.50 -0.10 0.00 -0.16 0.00 0.00 57.90 55.23 3nnk n TYR 245 Cb 0.46 -1.91 -0.06 0.00 -0.31 0.00 0.00 39.34 37.52 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 1.23 -0.41 -0.19 7.72 0.15 -1.26 -5.05 113.70 115.88 3nnk s SER 246 Ca 0.62 0.64 -0.19 0.00 0.70 0.00 0.00 55.95 57.73 3nnk s SER 246 Cb 0.25 0.60 -0.20 0.00 -1.71 0.00 0.00 66.02 64.95 3nnk s SER 246 CO -0.09 -0.25 0.23 -3.20 1.20 0.00 0.00 173.24 171.13 3nnk n ASN 247 N 1.50 1.91 -0.08 5.45 5.15 -1.26 -3.86 115.26 124.07 3nnk n ASN 247 Ca -0.12 0.38 -0.05 0.00 -0.60 0.00 0.00 54.58 54.19 3nnk n ASN 247 Cb 0.57 -0.94 0.15 0.00 -0.53 0.00 0.00 39.78 39.03 3nnk n ASN 247 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3nnk h TYR 248 N -0.79 0.80 -0.67 1.20 3.20 -1.97 -3.19 116.97 115.54 3nnk h TYR 248 Ca -0.37 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.36 3nnk h TYR 248 Cb 1.46 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.52 3nnk h TYR 248 CO 0.09 0.80 0.00 1.19 -1.64 0.00 0.00 178.16 178.59 3nnk n PHE 249 N -4.18 0.98 -2.30 -3.82 3.72 -1.26 -4.87 117.46 105.72 3nnk n PHE 249 Ca 0.01 -0.52 -0.39 0.00 -0.05 0.00 0.00 57.45 56.51 3nnk n PHE 249 Cb 0.35 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.00 5.75 0.56 4.37 -1.08 -1.21 -4.56 116.67 119.49 3nnk s ASP 250 Ca 0.46 -0.26 0.36 0.00 -0.52 0.00 0.00 52.55 52.60 3nnk s ASP 250 Cb 0.25 -2.55 1.71 0.00 -1.46 0.00 0.00 42.92 40.87 3nnk s ASP 250 CO 0.30 -2.10 2.09 -0.07 0.52 0.00 0.00 175.17 175.90 3nnk h LEU 251 N 14.80 0.00 -0.10 -1.34 3.38 -1.89 -2.23 115.31 127.93 3nnk h LEU 251 Ca -0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3nnk h LEU 251 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3nnk h LEU 251 CO 1.26 0.00 0.06 1.23 0.09 0.00 0.00 178.44 181.08 3nnk h GLY 252 N 1.21 0.14 1.56 0.83 0.00 -1.89 0.21 103.07 105.13 3nnk h GLY 252 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3nnk h GLY 252 CO 0.00 0.06 -0.49 -0.33 0.00 0.00 0.00 176.54 175.78 3nnk h MET 253 N 0.09 0.47 -0.36 4.80 2.86 -1.76 -1.43 114.93 119.61 3nnk h MET 253 Ca 0.03 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3nnk h MET 253 Cb 0.03 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3nnk h MET 253 CO -0.01 0.85 0.22 0.28 1.06 0.00 0.00 176.91 179.32 3nnk h VAL 254 N 0.37 1.11 -0.57 -2.22 2.07 -1.32 -1.52 116.25 114.17 3nnk h VAL 254 Ca 0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3nnk h VAL 254 Cb 0.99 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3nnk h VAL 254 CO 0.09 0.11 0.36 0.24 0.02 0.00 0.00 177.57 178.39 3nnk h MET 255 N 0.47 0.77 0.00 1.57 2.86 -0.41 -1.55 114.93 118.63 3nnk h MET 255 Ca 0.13 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3nnk h MET 255 Cb -0.01 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 3nnk h MET 255 CO -0.03 0.53 -0.10 -0.44 1.06 0.00 0.00 176.91 177.94 3nnk h ASP 256 N 0.77 0.00 0.00 1.22 3.32 -1.06 0.10 116.42 120.78 3nnk h ASP 256 Ca 0.21 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 3nnk h ASP 256 Cb -0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.51 3nnk h ASP 256 CO -0.04 0.10 -0.52 0.22 -1.72 0.00 0.00 179.24 177.28 3nnk h TYR 257 N 0.00 0.52 0.00 4.55 3.20 -0.79 -2.07 116.97 122.38 3nnk h TYR 257 Ca -0.00 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3nnk h TYR 257 Cb 0.17 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3nnk h TYR 257 CO 0.00 1.10 0.00 0.91 -1.64 0.00 0.00 178.16 178.53 3nnk n TRP 258 N -4.29 0.00 -2.72 -3.82 7.02 -0.63 -4.10 117.44 108.91 3nnk n TRP 258 Ca -0.10 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.16 3nnk n TRP 258 Cb 0.63 -0.47 0.09 0.00 -2.42 0.00 0.00 31.31 29.14 3nnk n TRP 258 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3nnk s GLY 259 N -2.94 1.76 0.60 6.99 0.00 0.34 -4.93 107.32 109.15 3nnk s GLY 259 Ca 0.14 -1.81 0.31 0.00 0.00 0.00 0.00 44.72 43.36 3nnk s GLY 259 CO 0.45 -1.30 2.13 -0.56 0.00 0.00 0.00 173.10 173.82 3nnk h PRO 260 N -0.28 0.00 -0.18 2.90 0.13 -1.88 -0.68 132.00 132.01 3nnk h PRO 260 Ca -0.35 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.71 3nnk h PRO 260 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3nnk h PRO 260 CO 0.41 0.00 -0.18 0.93 -0.23 0.00 0.00 178.00 178.93 3nnk h GLU 261 N 0.00 0.31 -5.21 0.86 3.07 -1.91 -3.47 114.58 108.24 3nnk h GLU 261 Ca 0.06 -0.09 -0.40 0.00 -0.50 0.00 0.00 59.36 58.43 3nnk h GLU 261 Cb 0.40 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3nnk h GLU 261 CO -0.00 0.49 -0.60 0.54 -1.40 0.00 0.00 179.01 178.04 3nnk n ARG 262 N -4.21 -4.29 -1.68 2.33 5.12 -0.26 -4.88 116.66 108.80 3nnk n ARG 262 Ca -0.00 0.65 -0.47 0.00 -1.93 0.00 0.00 57.85 56.09 3nnk n ARG 262 Cb 0.32 -5.45 -0.04 0.00 -1.16 0.00 0.00 32.46 26.13 3nnk n ARG 262 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3nnk n LEU 263 N -3.98 3.33 -4.20 0.55 -0.00 -0.97 -4.82 117.00 106.92 3nnk n LEU 263 Ca -0.04 1.01 -0.36 0.00 -0.00 0.00 0.00 56.01 56.62 3nnk n LEU 263 Cb 0.57 -1.39 -0.05 0.00 -0.00 0.00 0.00 43.42 42.54 3nnk n LEU 263 CO 0.53 -0.14 1.83 -3.20 -0.00 0.00 0.00 177.39 176.41 3nnk n ASN 264 N 5.47 3.11 -0.07 1.96 2.85 -1.26 -4.01 115.26 123.31 3nnk n ASN 264 Ca 0.20 -2.72 -0.12 0.00 -0.11 0.00 0.00 54.58 51.83 3nnk n ASN 264 Cb 0.29 -1.52 -0.11 0.00 1.24 0.00 0.00 39.78 39.69 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 8.66 0.00 -3.37 1.20 -0.00 -1.87 -3.49 115.15 116.29 3nnk h HIS 265 Ca 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.66 3nnk h HIS 265 Cb 0.82 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.12 3nnk h HIS 265 CO 1.26 0.86 -0.03 -3.38 -0.00 0.00 0.00 177.93 176.64 3nnk s HIS 266 N -2.12 -0.14 -0.60 5.26 -3.43 -1.26 -5.06 115.29 107.94 3nnk s HIS 266 Ca -0.16 -0.19 -0.27 0.00 -0.80 0.00 0.00 55.06 53.63 3nnk s HIS 266 Cb -0.02 0.32 0.03 0.00 -1.43 0.00 0.00 32.58 31.47 3nnk s HIS 266 CO 0.59 -0.82 1.15 0.99 -2.00 0.00 0.00 174.74 174.66 3nnk s THR 267 N -3.85 4.05 0.24 -5.38 2.01 -1.26 -4.99 115.64 106.46 3nnk s THR 267 Ca 0.07 0.70 -0.31 0.00 0.31 0.00 0.00 61.69 62.46 3nnk s THR 267 Cb 0.00 -4.72 -0.14 0.00 0.01 0.00 0.00 72.50 67.65 3nnk s THR 267 CO -0.07 -1.38 1.26 1.21 -0.69 0.00 0.00 174.62 174.96 3nnk n GLU 268 N 8.38 1.69 -1.86 4.92 4.07 -1.26 -4.83 120.64 131.75 3nnk n GLU 268 Ca 0.06 0.60 -0.26 0.00 -0.06 0.00 0.00 57.16 57.50 3nnk n GLU 268 Cb 0.49 -2.16 -0.05 0.00 -0.06 0.00 0.00 31.44 29.66 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 -0.38 1.48 0.15 4.31 0.00 -1.26 -4.85 121.76 121.20 3nnk s ALA 269 Ca 0.66 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 3nnk s ALA 269 Cb -0.70 -4.49 0.03 0.00 0.00 0.00 0.00 23.12 17.95 3nnk s ALA 269 CO 0.53 -4.92 1.69 1.15 0.00 0.00 0.00 175.76 174.21 3nnk h THR 270 N 7.36 0.71 -0.18 0.00 2.02 -1.97 -0.54 112.91 120.31 3nnk h THR 270 Ca -0.03 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 3nnk h THR 270 Cb 1.06 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3nnk h THR 270 CO 1.15 0.00 -0.12 0.74 0.37 0.00 0.00 175.52 177.66 3nnk h THR 271 N 0.01 1.32 -0.67 3.16 2.02 -1.91 -2.53 112.91 114.30 3nnk h THR 271 Ca 0.14 -1.21 0.05 0.00 0.77 0.00 0.00 66.41 66.16 3nnk h THR 271 Cb 0.21 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 3nnk h THR 271 CO -0.30 0.36 0.38 0.00 0.37 0.00 0.00 175.52 176.34 3nnk h ALA 272 N 0.67 0.89 -0.50 6.16 0.00 -1.91 -2.22 119.26 122.36 3nnk h ALA 272 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3nnk h ALA 272 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3nnk h ALA 272 CO 0.03 0.07 0.28 1.25 0.00 0.00 0.00 179.25 180.88 3nnk h LEU 273 N 0.71 0.60 -0.67 0.00 6.46 -1.01 -0.04 115.31 121.35 3nnk h LEU 273 Ca 0.29 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.99 3nnk h LEU 273 Cb 0.15 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 3nnk h LEU 273 CO -0.17 0.48 0.31 -0.26 -0.62 0.00 0.00 178.44 178.19 3nnk h PHE 274 N 0.68 0.98 -0.03 1.25 0.04 -0.98 -1.59 116.94 117.30 3nnk h PHE 274 Ca 0.18 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3nnk h PHE 274 Cb 0.01 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 37.86 3nnk h PHE 274 CO 0.00 0.74 0.01 0.78 -0.60 0.00 0.00 178.31 179.25 3nnk h GLY 275 N 0.94 0.05 1.60 -1.45 0.00 -0.65 -2.37 103.07 101.18 3nnk h GLY 275 Ca 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 3nnk h GLY 275 CO -0.03 0.02 0.12 0.00 0.00 0.00 0.00 176.54 176.66 3nnk h ALA 276 N 0.85 1.53 -0.27 3.60 0.00 -1.04 -1.20 119.26 122.73 3nnk h ALA 276 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3nnk h ALA 276 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3nnk h ALA 276 CO -0.00 0.36 0.15 -0.09 0.00 0.00 0.00 179.25 179.67 3nnk h ARG 277 N 0.52 0.38 0.04 0.00 2.43 -1.18 -2.76 114.38 113.81 3nnk h ARG 277 Ca 0.13 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3nnk h ARG 277 Cb 0.15 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3nnk h ARG 277 CO -0.01 0.32 -0.02 0.93 -1.51 0.00 0.00 179.97 179.69 3nnk h GLU 278 N 0.33 -0.05 -0.49 0.20 4.39 -0.86 -0.93 114.58 117.17 3nnk h GLU 278 Ca 0.10 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.90 3nnk h GLU 278 Cb 0.05 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.61 3nnk h GLU 278 CO -0.02 0.18 -0.23 0.00 -1.16 0.00 0.00 179.01 177.78 3nnk h ALA 280 N 1.19 0.55 -0.88 0.00 0.00 -1.48 -1.97 119.26 116.67 3nnk h ALA 280 Ca 0.23 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3nnk h ALA 280 Cb 0.48 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3nnk h ALA 280 CO -0.56 0.29 0.55 -0.09 0.00 0.00 0.00 179.25 179.44 3nnk h ARG 281 N 0.55 0.99 -0.08 0.00 2.43 -0.38 -1.74 114.38 116.14 3nnk h ARG 281 Ca 0.12 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.08 3nnk h ARG 281 Cb 0.42 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3nnk h ARG 281 CO 0.01 0.66 -0.63 -0.07 -1.51 0.00 0.00 179.97 178.43 3nnk h LEU 282 N 1.02 0.32 -0.31 3.80 3.38 -0.40 -0.67 115.31 122.45 3nnk h LEU 282 Ca 0.38 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 3nnk h LEU 282 Cb 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3nnk h LEU 282 CO -0.16 0.87 -0.41 0.40 0.09 0.00 0.00 178.44 179.22 3nnk h ILE 283 N 0.21 1.28 0.00 1.22 2.04 -1.03 -1.82 117.51 119.42 3nnk h ILE 283 Ca -0.01 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 3nnk h ILE 283 Cb 1.15 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 3nnk h ILE 283 CO 0.10 0.52 -0.18 -0.07 0.00 0.00 0.00 178.15 178.52 3nnk h LEU 284 N 0.61 0.00 -0.15 1.44 3.38 -1.30 0.59 115.31 119.88 3nnk h LEU 284 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3nnk h LEU 284 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3nnk h LEU 284 CO 0.10 0.18 -0.14 1.56 0.09 0.00 0.00 178.44 180.23 3nnk h GLN 285 N 0.00 0.36 -0.49 1.13 4.20 -1.05 -3.22 115.11 116.05 3nnk h GLN 285 Ca -0.00 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.40 3nnk h GLN 285 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3nnk h GLN 285 CO 0.02 0.73 -0.19 1.49 -0.67 0.00 0.00 178.83 180.22 3nnk h GLU 286 N 0.00 0.97 0.00 1.46 4.81 -1.27 -3.50 114.58 117.06 3nnk h GLU 286 Ca 0.03 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3nnk h GLU 286 Cb 0.66 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3nnk h GLU 286 CO 0.04 1.07 0.00 0.41 -0.73 0.00 0.00 179.01 179.79 3nnk n GLY 287 N -0.17 1.52 0.29 1.92 0.00 0.19 -4.72 105.19 104.22 3nnk n GLY 287 Ca 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.10 0.99 5.85 -1.83 0.90 115.31 120.73 3nnk h LEU 288 Ca 0.00 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3nnk h LEU 288 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3nnk h LEU 288 CO 0.00 0.37 -0.22 0.44 -0.34 0.00 0.00 178.44 178.69 3nnk h ASP 289 N 0.74 0.37 -0.13 1.25 3.45 -1.93 -1.43 116.42 118.74 3nnk h ASP 289 Ca 0.36 -0.11 -0.15 0.00 0.43 0.00 0.00 57.03 57.55 3nnk h ASP 289 Cb 0.29 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 3nnk h ASP 289 CO -0.22 0.60 -0.46 1.88 -1.57 0.00 0.00 179.24 179.46 3nnk h TYR 290 N 0.34 0.84 -0.39 4.55 0.05 -1.53 -2.53 116.97 118.31 3nnk h TYR 290 Ca 0.06 -0.27 -0.01 0.00 0.05 0.00 0.00 58.73 58.56 3nnk h TYR 290 Cb 0.58 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 3nnk h TYR 290 CO 0.01 1.02 0.22 0.78 -1.05 0.00 0.00 178.16 179.15 3nnk h GLY 291 N 0.95 0.57 0.99 3.88 0.00 -0.47 -1.57 103.07 107.41 3nnk h GLY 291 Ca 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3nnk h GLY 291 CO 0.10 0.24 0.30 -2.22 0.00 0.00 0.00 176.54 174.95 3nnk h ILE 292 N 0.50 1.18 -0.46 2.60 2.04 -1.29 -2.48 117.51 119.60 3nnk h ILE 292 Ca 0.14 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3nnk h ILE 292 Cb 0.03 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3nnk h ILE 292 CO -0.02 0.20 0.10 0.00 0.00 0.00 0.00 178.15 178.43 3nnk h ALA 293 N 1.13 1.32 -0.34 1.87 0.00 -1.29 -1.50 119.26 120.46 3nnk h ALA 293 Ca 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3nnk h ALA 293 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3nnk h ALA 293 CO -0.03 0.48 -0.06 -0.09 0.00 0.00 0.00 179.25 179.54 3nnk h ARG 294 N 0.67 0.65 -0.23 0.00 2.43 -1.13 -0.35 114.38 116.41 3nnk h ARG 294 Ca 0.15 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3nnk h ARG 294 Cb 0.26 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3nnk h ARG 294 CO -0.00 0.80 0.09 0.45 -1.51 0.00 0.00 179.97 179.80 3nnk h HIS 295 N 0.43 0.31 -0.04 2.20 3.86 -1.16 -2.35 115.15 118.41 3nnk h HIS 295 Ca 0.09 -0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.08 3nnk h HIS 295 Cb 0.56 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.93 3nnk h HIS 295 CO 0.05 0.26 -0.87 -0.22 0.86 0.00 0.00 177.93 178.01 3nnk h LYS 296 N 0.32 0.47 -0.19 2.45 3.64 -0.97 -2.30 116.57 119.99 3nnk h LYS 296 Ca 0.08 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 3nnk h LYS 296 Cb 0.08 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3nnk h LYS 296 CO -0.01 1.10 0.07 1.25 -2.27 0.00 0.00 179.45 179.59 3nnk h LEU 297 N 0.29 0.27 0.00 5.20 5.85 -0.67 -2.55 115.31 123.71 3nnk h LEU 297 Ca -0.06 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3nnk h LEU 297 Cb 1.48 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3nnk h LEU 297 CO 0.15 0.38 -0.45 0.45 -0.34 0.00 0.00 178.44 178.64 3nnk h HIS 298 N 0.15 0.00 -0.12 1.25 3.86 -1.53 -2.05 115.15 116.71 3nnk h HIS 298 Ca 0.06 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 3nnk h HIS 298 Cb 0.20 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 3nnk h HIS 298 CO -0.01 0.12 -0.16 0.78 0.86 0.00 0.00 177.93 179.52 3nnk h GLY 299 N 3.90 0.35 1.69 2.45 0.00 -1.45 -2.39 103.07 107.62 3nnk h GLY 299 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 3nnk h GLY 299 CO 0.01 0.34 -0.36 -0.55 0.00 0.00 0.00 176.54 175.98 3nnk h ASP 300 N -0.08 0.36 -0.15 0.19 5.19 -1.48 -2.33 116.42 118.11 3nnk h ASP 300 Ca 0.01 -0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.22 3nnk h ASP 300 Cb 0.71 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 3nnk h ASP 300 CO 0.04 0.70 -0.09 0.00 -3.12 0.00 0.00 179.24 176.77 3nnk h ALA 301 N 1.32 1.31 -0.32 3.45 0.00 -1.40 -2.42 119.26 121.20 3nnk h ALA 301 Ca 0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3nnk h ALA 301 Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3nnk h ALA 301 CO 0.06 0.46 -0.12 1.25 0.00 0.00 0.00 179.25 180.91 3nnk h LEU 302 N 0.45 0.66 0.85 0.00 5.85 -1.04 -3.11 115.31 118.97 3nnk h LEU 302 Ca 0.09 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 3nnk h LEU 302 Cb 0.43 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3nnk h LEU 302 CO 0.02 0.90 -0.46 0.58 -0.34 0.00 0.00 178.44 179.14 3nnk h VAL 303 N 0.42 0.07 -0.88 1.05 2.07 -1.19 -1.35 116.25 116.44 3nnk h VAL 303 Ca 0.08 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.75 3nnk h VAL 303 Cb 0.63 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 3nnk h VAL 303 CO 0.04 0.00 0.46 0.11 0.02 0.00 0.00 177.57 178.20 3nnk h LYS 304 N -1.21 0.63 -0.31 1.57 1.57 -1.54 0.19 116.57 117.46 3nnk h LYS 304 Ca -0.11 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3nnk h LYS 304 Cb 0.95 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3nnk h LYS 304 CO 0.16 0.41 0.09 0.78 -0.57 0.00 0.00 179.45 180.32 3nnk h GLY 305 N 0.64 0.53 1.00 3.86 0.00 -1.50 -1.92 103.07 105.69 3nnk h GLY 305 Ca 0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3nnk h GLY 305 CO -0.37 0.30 0.33 -2.22 0.00 0.00 0.00 176.54 174.58 3nnk h ILE 306 N 0.35 1.22 -0.21 2.60 1.08 0.17 -1.89 117.51 120.83 3nnk h ILE 306 Ca 0.10 -0.60 -0.12 0.00 -0.39 0.00 0.00 64.86 63.85 3nnk h ILE 306 Cb 0.27 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 3nnk h ILE 306 CO -0.00 0.25 -0.39 1.56 -0.69 0.00 0.00 178.15 178.88 3nnk h GLN 307 N 0.90 0.47 0.00 2.37 4.20 -0.70 -2.82 115.11 119.53 3nnk h GLN 307 Ca 0.23 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3nnk h GLN 307 Cb 0.10 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3nnk h GLN 307 CO -0.03 0.78 -0.08 0.00 -0.67 0.00 0.00 178.83 178.83 3nnk h ALA 308 N 1.20 0.97 0.00 3.87 0.00 -1.17 -2.41 119.26 121.71 3nnk h ALA 308 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3nnk h ALA 308 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3nnk h ALA 308 CO 0.07 0.10 0.00 -0.12 0.00 0.00 0.00 179.25 179.31 3nnk n MET 309 N -3.15 0.27 -2.36 0.00 0.00 -0.73 -4.23 117.12 106.92 3nnk n MET 309 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 57.70 57.78 3nnk n MET 309 Cb 0.46 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.19 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 0.66 0.61 3.32 -5.12 0.00 -0.91 -4.81 105.19 98.95 3nnk n GLY 310 Ca 0.10 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.92 2.11 0.44 0.99 1.43 -1.10 -5.06 118.68 115.56 3nnk s LEU 311 Ca 0.02 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 52.46 3nnk s LEU 311 Cb -0.01 -1.36 -0.10 0.00 0.03 0.00 0.00 46.19 44.75 3nnk s LEU 311 CO 0.06 0.31 0.99 -1.61 0.23 0.00 0.00 176.35 176.33 3nnk s GLU 312 N -0.57 4.11 0.12 1.70 2.02 -1.26 -4.40 118.70 120.41 3nnk s GLU 312 Ca 0.09 1.24 0.06 0.00 0.02 0.00 0.00 54.97 56.38 3nnk s GLU 312 Cb -0.10 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3nnk s GLU 312 CO -0.00 -0.15 -0.00 0.95 0.02 0.00 0.00 175.26 176.07 3nnk s THR 313 N -2.04 3.90 -0.07 3.63 -4.23 -1.26 -0.99 115.64 114.58 3nnk s THR 313 Ca 0.63 -1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 59.87 3nnk s THR 313 Cb -0.13 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 3nnk s THR 313 CO 0.17 0.05 0.34 0.12 -0.54 0.00 0.00 174.62 174.76 3nnk s PHE 314 N -1.43 3.62 0.00 3.99 5.36 0.15 -4.83 117.98 124.85 3nnk s PHE 314 Ca 0.26 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 3nnk s PHE 314 Cb -0.11 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 3nnk s PHE 314 CO 0.18 0.52 0.00 0.41 -1.46 0.00 0.00 175.22 174.87 3nnk n GLY 315 N 2.37 0.66 3.51 13.12 0.00 -1.26 -4.52 105.19 119.07 3nnk n GLY 315 Ca -0.14 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.52 6.18 0.37 1.61 2.15 -1.14 -4.91 116.67 120.40 3nnk s ASP 316 Ca 0.00 -0.68 0.26 0.00 0.43 0.00 0.00 52.55 52.56 3nnk s ASP 316 Cb 0.00 -2.49 1.31 0.00 -0.30 0.00 0.00 42.92 41.44 3nnk s ASP 316 CO 0.00 -1.63 1.78 -0.07 -0.17 0.00 0.00 175.17 175.08 3nnk h LEU 317 N 12.17 0.00 -0.94 -1.34 3.38 -1.93 -1.69 115.31 124.95 3nnk h LEU 317 Ca -0.28 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3nnk h LEU 317 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3nnk h LEU 317 CO 1.23 0.00 0.62 0.11 0.09 0.00 0.00 178.44 180.48 3nnk h LYS 318 N 0.00 1.18 -0.56 1.13 1.57 -2.01 -3.04 116.57 114.83 3nnk h LYS 318 Ca 0.00 -0.07 -0.37 0.00 -1.87 0.00 0.00 60.65 58.34 3nnk h LYS 318 Cb 0.10 -0.27 -0.23 0.00 0.08 0.00 0.00 32.23 31.91 3nnk h LYS 318 CO 0.00 0.78 -0.17 0.72 -0.57 0.00 0.00 179.45 180.20 3nnk n HIS 319 N -4.47 1.89 -2.61 -1.35 8.25 -0.64 -5.03 115.22 111.26 3nnk n HIS 319 Ca 0.12 -2.02 -0.40 0.00 -0.26 0.00 0.00 57.72 55.17 3nnk n HIS 319 Cb 0.07 -0.59 -0.05 0.00 1.12 0.00 0.00 29.99 30.54 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 -3.45 4.69 0.47 -0.41 2.20 -1.15 0.77 119.74 122.85 3nnk s LYS 320 Ca 0.50 1.63 -0.24 0.00 -0.36 0.00 0.00 55.97 57.49 3nnk s LYS 320 Cb 0.42 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 33.52 3nnk s LYS 320 CO 0.01 0.31 1.31 -1.64 -0.36 0.00 0.00 175.35 174.98 3nnk s MET 321 N -1.46 3.63 0.34 4.03 -1.94 -0.51 -4.72 119.30 118.67 3nnk s MET 321 Ca 0.44 2.13 0.02 0.00 -1.71 0.00 0.00 55.69 56.58 3nnk s MET 321 Cb -0.28 -2.51 0.61 0.00 2.01 0.00 0.00 34.83 34.66 3nnk s MET 321 CO 0.35 -0.76 1.97 -0.91 -0.01 0.00 0.00 175.02 175.65 3nnk h ASN 322 N 2.11 0.68 0.06 3.03 2.35 -1.87 -3.30 115.58 118.66 3nnk h ASN 322 Ca -0.50 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 3nnk h ASN 322 Cb 1.27 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3nnk h ASN 322 CO 0.60 0.56 -0.29 -0.46 -1.65 0.00 0.00 177.43 176.18 3nnk n ASN 323 N -4.39 1.77 -4.11 5.81 6.94 -1.26 -4.04 115.26 115.97 3nnk n ASN 323 Ca 0.05 -1.37 -0.14 0.00 -0.02 0.00 0.00 54.58 53.10 3nnk n ASN 323 Cb 0.10 0.25 -0.11 0.00 -2.36 0.00 0.00 39.78 37.66 3nnk n ASN 323 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3nnk s VAL 324 N -2.37 0.73 -0.03 3.53 1.01 -1.24 0.15 120.40 122.17 3nnk s VAL 324 Ca 0.24 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 3nnk s VAL 324 Cb 0.19 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.66 3nnk s VAL 324 CO 0.50 -0.44 0.03 -0.22 0.00 0.00 0.00 175.10 174.97 3nnk s LEU 325 N -1.92 0.75 -0.37 3.92 0.20 0.60 -4.59 118.68 117.27 3nnk s LEU 325 Ca -0.03 0.03 -0.24 0.00 0.69 0.00 0.00 54.13 54.58 3nnk s LEU 325 Cb -0.07 -0.15 0.01 0.00 -0.43 0.00 0.00 46.19 45.55 3nnk s LEU 325 CO 0.00 -0.17 0.81 -0.83 -0.29 0.00 0.00 176.35 175.87 3nnk s GLY 326 N 1.49 1.64 -0.26 7.98 0.00 -1.26 -0.70 107.32 116.20 3nnk s GLY 326 Ca -0.04 -0.63 -0.06 0.00 0.00 0.00 0.00 44.72 44.00 3nnk s GLY 326 CO -0.03 1.80 0.03 0.14 0.00 0.00 0.00 173.10 175.05 3nnk s VAL 327 N 3.18 3.76 0.08 1.40 1.01 0.17 -0.67 120.40 129.33 3nnk s VAL 327 Ca 0.32 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 3nnk s VAL 327 Cb -0.13 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 3nnk s VAL 327 CO 0.17 0.23 1.20 -0.69 0.00 0.00 0.00 175.10 176.01 3nnk s VAL 328 N 1.50 3.95 -0.14 2.92 1.01 -0.16 0.65 120.40 130.13 3nnk s VAL 328 Ca 0.04 1.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 3nnk s VAL 328 Cb -0.16 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3nnk s VAL 328 CO 0.00 0.13 1.11 -0.63 0.00 0.00 0.00 175.10 175.72 3nnk s ILE 329 N 0.85 4.53 0.35 2.22 1.01 -0.13 -4.43 121.20 125.60 3nnk s ILE 329 Ca 0.58 1.84 -0.28 0.00 0.00 0.00 0.00 60.65 62.78 3nnk s ILE 329 Cb -0.30 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 37.89 3nnk s ILE 329 CO 0.30 -0.08 1.32 -2.84 0.00 0.00 0.00 174.94 173.64 3nnk s PRO 330 N 2.70 4.27 0.04 2.79 0.02 -1.26 -4.94 135.00 138.63 3nnk s PRO 330 Ca 0.50 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.45 3nnk s PRO 330 Cb -0.19 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.23 3nnk s PRO 330 CO 0.15 -0.26 1.85 -0.65 -0.33 0.00 0.00 177.00 177.76 3nnk s GLN 331 N -1.89 4.15 0.00 5.54 1.11 -1.26 -2.34 119.66 124.97 3nnk s GLN 331 Ca 0.50 2.51 0.00 0.00 0.01 0.00 0.00 55.36 58.38 3nnk s GLN 331 Cb -0.40 -3.96 0.00 0.00 -1.01 0.00 0.00 33.01 27.64 3nnk s GLN 331 CO 0.53 -0.89 0.00 0.41 0.01 0.00 0.00 175.29 175.35 3nnk n GLY 332 N 4.35 0.89 3.20 3.09 0.00 -1.26 -5.10 105.19 110.36 3nnk n GLY 332 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nnk s ILE 333 N -2.00 1.98 -0.20 -0.61 -4.36 -0.99 -5.00 121.20 110.02 3nnk s ILE 333 Ca 0.00 -0.98 -0.29 0.00 -0.26 0.00 0.00 60.65 59.12 3nnk s ILE 333 Cb 0.00 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3nnk s ILE 333 CO 0.00 0.54 1.10 0.21 0.24 0.00 0.00 174.94 177.04 3nnk s ASN 334 N 0.37 7.06 0.19 4.36 3.04 -1.26 -4.84 114.94 123.87 3nnk s ASN 334 Ca -0.19 1.48 -0.11 0.00 0.04 0.00 0.00 52.86 54.09 3nnk s ASN 334 Cb -0.18 -2.54 0.18 0.00 -1.54 0.00 0.00 41.25 37.17 3nnk s ASN 334 CO 0.09 -0.68 1.81 1.23 -3.04 0.00 0.00 177.10 176.50 3nnk h GLY 335 N 9.41 0.85 1.94 1.21 0.00 -1.96 -2.33 103.07 112.19 3nnk h GLY 335 Ca -0.22 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 3nnk h GLY 335 CO 0.97 0.16 -0.51 1.29 0.00 0.00 0.00 176.54 178.45 3nnk h ASP 336 N 0.63 0.07 -0.63 0.19 3.04 -1.95 -3.06 116.42 114.72 3nnk h ASP 336 Ca 0.26 -0.03 -0.07 0.00 -3.24 0.00 0.00 57.03 53.94 3nnk h ASP 336 Cb 0.12 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 38.37 3nnk h ASP 336 CO -0.15 0.57 0.11 -0.61 -2.04 0.00 0.00 179.24 177.11 3nnk h GLN 337 N 0.05 1.03 -0.15 4.15 4.15 -1.84 -0.31 115.11 122.19 3nnk h GLN 337 Ca -0.00 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.14 3nnk h GLN 337 Cb 0.92 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 3nnk h GLN 337 CO 0.07 0.96 0.06 0.00 -1.93 0.00 0.00 178.83 177.99 3nnk h ALA 338 N 1.03 0.20 -0.61 3.38 0.00 -1.46 -1.67 119.26 120.14 3nnk h ALA 338 Ca 0.19 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3nnk h ALA 338 Cb 0.42 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3nnk h ALA 338 CO 0.01 -0.21 0.30 0.00 0.00 0.00 0.00 179.25 179.35 3nnk h ARG 339 N 0.09 0.54 0.06 0.00 3.08 -1.43 0.14 114.38 116.86 3nnk h ARG 339 Ca 0.05 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3nnk h ARG 339 Cb 0.18 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3nnk h ARG 339 CO -0.00 0.36 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.01 3nnk h LYS 340 N 0.56 -0.08 -0.43 0.04 3.64 -0.93 0.76 116.57 120.13 3nnk h LYS 340 Ca 0.28 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3nnk h LYS 340 Cb 0.23 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3nnk h LYS 340 CO -0.21 -0.02 0.00 -0.07 -2.27 0.00 0.00 179.45 176.88 3nnk h LEU 341 N -0.11 0.66 -0.52 5.20 3.38 -1.07 0.83 115.31 123.68 3nnk h LEU 341 Ca -0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3nnk h LEU 341 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3nnk h LEU 341 CO 0.01 0.73 -0.01 0.24 0.09 0.00 0.00 178.44 179.50 3nnk h MET 342 N 0.66 0.93 -0.02 1.13 2.86 -0.52 -1.52 114.93 118.44 3nnk h MET 342 Ca 0.13 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 3nnk h MET 342 Cb 0.40 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3nnk h MET 342 CO 0.02 0.95 -0.11 1.25 1.06 0.00 0.00 176.91 180.08 3nnk h LEU 343 N 0.80 0.13 0.24 1.22 5.85 -0.55 -0.40 115.31 122.60 3nnk h LEU 343 Ca 0.15 -0.68 -0.34 0.00 0.84 0.00 0.00 57.88 57.84 3nnk h LEU 343 Cb 0.54 -0.04 0.03 0.00 0.37 0.00 0.00 40.66 41.56 3nnk h LEU 343 CO 0.03 0.79 -1.53 -0.33 -0.34 0.00 0.00 178.44 177.06 3nnk h GLU 344 N -0.53 0.51 0.00 1.25 5.08 -0.93 -2.75 114.58 117.21 3nnk h GLU 344 Ca -0.01 -0.87 -0.08 0.00 -1.00 0.00 0.00 59.36 57.40 3nnk h GLU 344 Cb 0.79 0.32 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3nnk h GLU 344 CO 0.02 1.42 -1.74 -0.25 -1.00 0.00 0.00 179.01 177.46 3nnk n ASP 345 N -3.70 0.32 -0.00 1.42 9.92 -0.58 -4.46 116.55 119.46 3nnk n ASP 345 Ca -0.19 0.13 0.01 0.00 -0.53 0.00 0.00 54.79 54.21 3nnk n ASP 345 Cb 1.09 1.24 -0.02 0.00 -0.64 0.00 0.00 41.12 42.80 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3nnk n PHE 346 N -2.51 0.00 -2.40 1.24 3.72 -1.13 -5.03 117.46 111.35 3nnk n PHE 346 Ca -0.08 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.23 3nnk n PHE 346 Cb 0.69 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 39.21 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 1.76 0.11 3.14 1.37 0.00 -0.78 -4.94 105.19 105.85 3nnk n GLY 347 Ca -0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.64 1.64 -0.26 -0.61 1.01 -0.23 -0.58 121.20 119.54 3nnk s ILE 348 Ca 0.07 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 3nnk s ILE 348 Cb -0.03 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3nnk s ILE 348 CO 0.09 0.47 0.29 -0.70 0.00 0.00 0.00 174.94 175.09 3nnk s GLU 349 N 0.44 4.03 0.21 2.79 2.12 -0.14 -2.53 118.70 125.62 3nnk s GLU 349 Ca -0.16 -0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.16 3nnk s GLU 349 Cb -0.17 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 3nnk s GLU 349 CO 0.06 -0.16 0.10 0.96 -0.54 0.00 0.00 175.26 175.69 3nnk s ILE 350 N 1.70 4.16 0.27 -3.70 -4.36 -1.26 -0.53 121.20 117.49 3nnk s ILE 350 Ca 0.12 -1.37 -0.21 0.00 -0.26 0.00 0.00 60.65 58.94 3nnk s ILE 350 Cb -0.15 -3.17 -0.09 0.00 1.25 0.00 0.00 42.46 40.30 3nnk s ILE 350 CO 0.09 -0.22 0.79 -0.83 0.24 0.00 0.00 174.94 175.01 3nnk s GLY 351 N -3.37 2.60 0.25 6.27 0.00 0.13 -4.81 107.32 108.40 3nnk s GLY 351 Ca 0.31 0.25 -0.08 0.00 0.00 0.00 0.00 44.72 45.19 3nnk s GLY 351 CO 0.22 0.60 0.56 -1.08 0.00 0.00 0.00 173.10 173.40 3nnk s THR 352 N -1.66 4.95 0.22 0.90 -1.32 -1.26 -1.70 115.64 115.78 3nnk s THR 352 Ca 0.48 0.37 -0.07 0.00 -1.21 0.00 0.00 61.69 61.25 3nnk s THR 352 Cb -0.16 -3.65 -0.06 0.00 -1.51 0.00 0.00 72.50 67.12 3nnk s THR 352 CO 0.21 -0.16 0.51 -0.44 -2.21 0.00 0.00 174.62 172.53 3nnk s SER 353 N -2.61 6.55 0.21 8.08 0.01 -1.16 -4.75 113.70 120.02 3nnk s SER 353 Ca 0.47 0.80 0.08 0.00 1.31 0.00 0.00 55.95 58.60 3nnk s SER 353 Cb -0.11 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3nnk s SER 353 CO 0.24 -0.07 0.03 -0.36 0.41 0.00 0.00 173.24 173.48 3nnk s PHE 354 N -1.84 2.85 0.00 2.43 0.08 -1.26 -3.83 117.98 116.41 3nnk s PHE 354 Ca 0.45 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.35 3nnk s PHE 354 Cb -0.11 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 3nnk s PHE 354 CO 0.24 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.31 3nnk n GLY 355 N -0.45 2.42 0.00 4.36 0.00 -1.26 -3.58 105.19 106.68 3nnk n GLY 355 Ca -0.09 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 12.54 0.92 0.00 1.61 -0.04 -1.26 -2.81 135.00 145.96 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 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.71 0.86 -4.71 1.53 4.77 -1.24 -5.00 117.00 112.51 3nnk n LEU 357 Ca 0.09 -0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 54.79 3nnk n LEU 357 Cb 0.04 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3nnk n LEU 357 CO 0.07 0.21 1.19 -2.28 -1.33 0.00 0.00 177.39 175.25 3nnk s HIS 358 N -0.31 2.96 0.00 -1.77 2.46 -1.12 -1.45 115.29 116.07 3nnk s HIS 358 Ca 0.00 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.21 3nnk s HIS 358 Cb 0.00 -3.84 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 3nnk s HIS 358 CO 0.00 -3.11 0.00 0.41 -2.47 0.00 0.00 174.74 169.57 3nnk n GLY 359 N 3.72 0.83 0.06 1.59 0.00 -1.26 -4.82 105.19 105.30 3nnk n GLY 359 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.03 0.69 -4.47 1.61 4.76 -0.52 -4.71 118.16 113.49 3nnk n LYS 360 Ca 0.00 0.06 -0.22 0.00 -2.87 0.00 0.00 58.31 55.27 3nnk n LYS 360 Cb 0.00 -1.24 -0.16 0.00 -1.84 0.00 0.00 35.03 31.79 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 -2.24 0.94 0.20 -0.18 1.01 -0.72 -0.96 120.40 118.44 3nnk s VAL 361 Ca -0.14 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 3nnk s VAL 361 Cb 0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 3nnk s VAL 361 CO 0.30 0.30 0.51 0.26 0.00 0.00 0.00 175.10 176.47 3nnk s TRP 362 N 0.46 3.45 -0.34 5.22 0.51 0.21 -2.98 118.94 125.47 3nnk s TRP 362 Ca -0.09 0.82 -0.01 0.00 -2.12 0.00 0.00 56.10 54.71 3nnk s TRP 362 Cb -0.12 -2.21 0.08 0.00 -0.81 0.00 0.00 33.47 30.40 3nnk s TRP 362 CO 0.02 0.32 0.06 1.03 -0.51 0.00 0.00 176.95 177.87 3nnk s ARG 363 N -2.70 2.09 -0.31 4.98 0.52 -0.69 0.46 118.95 123.30 3nnk s ARG 363 Ca 0.45 -1.57 -0.11 0.00 -0.52 0.00 0.00 55.73 53.98 3nnk s ARG 363 Cb -0.12 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 3nnk s ARG 363 CO 0.22 -0.82 0.20 0.42 0.02 0.00 0.00 175.30 175.33 3nnk s ILE 364 N 1.13 5.07 -0.10 1.52 1.01 0.12 -0.69 121.20 129.26 3nnk s ILE 364 Ca 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 3nnk s ILE 364 Cb -0.21 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3nnk s ILE 364 CO -0.04 0.10 0.06 -0.83 0.00 0.00 0.00 174.94 174.23 3nnk s GLY 365 N 1.70 1.98 -0.69 6.18 0.00 -0.00 -0.29 107.32 116.20 3nnk s GLY 365 Ca 0.06 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 44.09 3nnk s GLY 365 CO 0.09 -0.50 0.49 -0.51 0.00 0.00 0.00 173.10 172.67 3nnk s THR 366 N -0.95 2.75 0.14 0.90 -4.23 0.12 -4.43 115.64 109.95 3nnk s THR 366 Ca 0.14 -4.20 0.10 0.00 -1.18 0.00 0.00 61.69 56.56 3nnk s THR 366 Cb -0.12 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 3nnk s THR 366 CO 0.03 -1.02 -0.24 -0.04 -0.54 0.00 0.00 174.62 172.81 3nnk s MET 367 N -1.38 1.35 3.93 3.99 -1.94 -1.26 -4.46 119.30 119.53 3nnk s MET 367 Ca 0.25 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 3nnk s MET 367 Cb -0.04 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 35.09 3nnk s MET 367 CO -0.17 0.39 0.00 0.41 -0.01 0.00 0.00 175.02 175.64 3nnk n GLY 368 N 0.74 2.96 0.33 -0.03 0.00 -1.25 -1.28 105.19 106.66 3nnk n GLY 368 Ca -0.17 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.01 1.61 3.20 -1.83 -1.24 116.97 118.70 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 0.00 -0.10 0.09 -1.64 0.00 0.00 178.16 176.51 3nnk n ASN 370 N -3.99 0.83 -4.45 -2.11 4.13 -0.41 -4.55 115.26 104.72 3nnk n ASN 370 Ca 0.02 -0.96 -0.39 0.00 1.68 0.00 0.00 54.58 54.93 3nnk n ASN 370 Cb 0.31 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.53 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nnk n ALA 371 N -0.57 3.23 -2.89 5.41 0.00 -0.47 -4.51 120.51 120.72 3nnk n ALA 371 Ca 0.16 -3.59 -0.09 0.00 0.00 0.00 0.00 53.44 49.92 3nnk n ALA 371 Cb 0.30 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 16.07 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 4.81 0.40 0.18 0.00 0.52 -1.26 -4.87 118.95 118.73 3nnk s ARG 372 Ca 0.58 -0.65 -0.16 0.00 -0.52 0.00 0.00 55.73 54.98 3nnk s ARG 372 Cb 0.04 0.15 0.13 0.00 0.52 0.00 0.00 34.95 35.79 3nnk s ARG 372 CO 0.08 -0.08 1.67 -0.22 0.02 0.00 0.00 175.30 176.78 3nnk h LYS 373 N 4.32 0.04 -0.44 3.54 3.64 -1.98 -1.95 116.57 123.75 3nnk h LYS 373 Ca -0.32 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.98 3nnk h LYS 373 Cb 1.20 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3nnk h LYS 373 CO 0.44 0.03 -0.04 0.38 -2.27 0.00 0.00 179.45 177.99 3nnk h ASP 374 N 0.04 0.71 -0.10 4.20 2.03 -1.97 0.17 116.42 121.50 3nnk h ASP 374 Ca 0.22 -0.18 -0.00 0.00 -0.73 0.00 0.00 57.03 56.33 3nnk h ASP 374 Cb 0.33 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 38.64 3nnk h ASP 374 CO -0.42 0.81 0.05 0.00 -1.03 0.00 0.00 179.24 178.65 3nnk h VAL 376 N 0.06 1.13 -0.40 0.00 2.07 -1.08 -1.93 116.25 116.10 3nnk h VAL 376 Ca 0.04 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3nnk h VAL 376 Cb 0.10 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3nnk h VAL 376 CO -0.01 0.14 -0.08 -0.03 0.02 0.00 0.00 177.57 177.61 3nnk h MET 377 N 0.58 0.76 -0.50 1.57 -1.53 -0.54 -1.47 114.93 113.80 3nnk h MET 377 Ca 0.16 -0.28 -0.06 0.00 -3.44 0.00 0.00 59.70 56.07 3nnk h MET 377 Cb -0.01 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 30.97 3nnk h MET 377 CO -0.03 0.89 0.08 1.15 0.14 0.00 0.00 176.91 179.14 3nnk h THR 378 N 0.57 1.25 -0.45 -0.77 2.02 -0.83 -2.73 112.91 111.97 3nnk h THR 378 Ca 0.10 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 3nnk h THR 378 Cb 0.60 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3nnk h THR 378 CO 0.04 0.33 0.10 0.74 0.37 0.00 0.00 175.52 177.10 3nnk h THR 379 N 0.70 1.24 -0.29 3.16 2.02 -1.24 -2.11 112.91 116.40 3nnk h THR 379 Ca 0.15 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3nnk h THR 379 Cb 0.40 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3nnk h THR 379 CO 0.01 0.30 0.19 -0.07 0.37 0.00 0.00 175.52 176.32 3nnk h LEU 380 N 0.61 0.32 -0.83 2.58 3.38 -1.23 -1.03 115.31 119.11 3nnk h LEU 380 Ca 0.14 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 3nnk h LEU 380 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3nnk h LEU 380 CO 0.00 0.23 -0.55 0.77 0.09 0.00 0.00 178.44 178.99 3nnk h SER 381 N 0.38 0.11 -0.00 -0.43 4.64 -1.46 -2.71 113.55 114.08 3nnk h SER 381 Ca 0.11 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.19 3nnk h SER 381 Cb -0.04 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3nnk h SER 381 CO -0.03 0.63 -0.62 0.00 -0.87 0.00 0.00 176.83 175.95 3nnk h ALA 382 N 1.37 0.58 0.37 5.18 0.00 -1.19 -2.38 119.26 123.19 3nnk h ALA 382 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3nnk h ALA 382 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3nnk h ALA 382 CO 0.08 0.70 -0.18 1.25 0.00 0.00 0.00 179.25 181.10 3nnk h LEU 383 N 0.45 -0.42 -0.84 0.00 6.46 -1.09 -1.46 115.31 118.42 3nnk h LEU 383 Ca -0.01 -0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.70 3nnk h LEU 383 Cb 1.19 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 41.17 3nnk h LEU 383 CO 0.12 -0.10 0.51 -0.08 -0.62 0.00 0.00 178.44 178.27 3nnk h GLU 384 N -0.76 0.88 -0.69 1.25 4.81 -1.58 -0.68 114.58 117.81 3nnk h GLU 384 Ca -0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3nnk h GLU 384 Cb 0.52 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3nnk h GLU 384 CO 0.08 0.58 0.44 0.00 -0.73 0.00 0.00 179.01 179.39 3nnk h ALA 385 N 1.41 0.87 -0.54 2.92 0.00 -1.38 -0.29 119.26 122.26 3nnk h ALA 385 Ca 0.37 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3nnk h ALA 385 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3nnk h ALA 385 CO -0.19 0.31 -0.03 0.28 0.00 0.00 0.00 179.25 179.62 3nnk h VAL 386 N 0.93 1.27 -0.30 0.00 2.07 -0.54 -2.25 116.25 117.43 3nnk h VAL 386 Ca 0.25 -1.16 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 3nnk h VAL 386 Cb -0.08 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3nnk h VAL 386 CO -0.05 0.41 -0.53 -0.07 0.02 0.00 0.00 177.57 177.35 3nnk h LEU 387 N 0.86 0.96 -1.13 2.57 3.38 -0.89 -1.05 115.31 120.00 3nnk h LEU 387 Ca 0.15 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3nnk h LEU 387 Cb 0.58 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3nnk h LEU 387 CO 0.03 1.30 -0.02 0.78 0.09 0.00 0.00 178.44 180.62 3nnk h ASN 388 N 0.67 0.55 0.11 -0.43 2.35 -1.07 0.11 115.58 117.87 3nnk h ASN 388 Ca 0.02 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 3nnk h ASN 388 Cb 1.13 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3nnk h ASN 388 CO 0.12 0.64 -0.27 0.22 -1.65 0.00 0.00 177.43 176.48 3nnk h TYR 389 N 0.55 0.30 -0.50 1.19 -0.00 -1.24 -2.93 116.97 114.35 3nnk h TYR 389 Ca 0.11 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.73 58.73 3nnk h TYR 389 Cb 0.39 -0.08 -0.03 0.00 -0.00 0.00 0.00 36.73 37.01 3nnk h TYR 389 CO 0.01 0.53 0.06 1.28 -0.00 0.00 0.00 178.16 180.05 3nnk n LEU 390 N -4.14 4.90 -2.23 2.82 4.32 -0.41 -4.94 117.00 117.32 3nnk n LEU 390 Ca -0.01 -2.50 -0.16 0.00 -0.02 0.00 0.00 56.01 53.31 3nnk n LEU 390 Cb 0.38 -0.66 0.02 0.00 -1.62 0.00 0.00 43.42 41.54 3nnk n LEU 390 CO 0.40 0.60 -0.01 0.29 -1.22 0.00 0.00 177.39 177.44 3nnk n LYS 391 N 0.33 -3.45 -3.73 3.23 5.02 -0.77 -4.91 118.16 113.89 3nnk n LYS 391 Ca 0.25 0.67 -0.38 0.00 -2.02 0.00 0.00 58.31 56.84 3nnk n LYS 391 Cb 1.05 -5.03 -0.12 0.00 -0.02 0.00 0.00 35.03 30.92 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3nnk s PHE 392 N -2.99 3.19 0.19 2.13 5.36 0.30 -5.01 117.98 121.15 3nnk s PHE 392 Ca 0.21 -1.07 -0.30 0.00 -0.96 0.00 0.00 56.93 54.81 3nnk s PHE 392 Cb -0.09 -2.29 -0.08 0.00 -0.34 0.00 0.00 43.02 40.22 3nnk s PHE 392 CO 0.26 -0.62 1.08 -2.14 -1.46 0.00 0.00 175.22 172.34 3nnk s PRO 393 N 1.49 4.63 0.13 10.12 0.02 -1.26 -3.71 135.00 146.42 3nnk s PRO 393 Ca 0.02 1.70 0.06 0.00 0.02 0.00 0.00 61.00 62.79 3nnk s PRO 393 Cb -0.18 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 3nnk s PRO 393 CO 0.03 0.14 -0.13 0.95 -0.33 0.00 0.00 177.00 177.65 3nnk s THR 394 N -0.43 1.33 0.04 0.99 -4.23 -1.26 -5.02 115.64 107.05 3nnk s THR 394 Ca 0.48 -1.80 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 3nnk s THR 394 Cb -0.29 -1.61 -0.07 0.00 1.34 0.00 0.00 72.50 71.87 3nnk s THR 394 CO 0.35 -0.48 1.58 -0.89 -0.54 0.00 0.00 174.62 174.65 3nnk s THR 395 N -2.36 3.28 -0.01 3.99 2.01 -1.26 -4.92 115.64 116.37 3nnk s THR 395 Ca 0.11 0.68 -0.30 0.00 0.31 0.00 0.00 61.69 62.49 3nnk s THR 395 Cb -0.04 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 3nnk s THR 395 CO 0.03 -0.01 1.95 -1.58 -0.69 0.00 0.00 174.62 174.32 3nnk s GLN 396 N 2.70 4.02 0.00 4.92 0.74 -1.26 -2.72 119.66 128.05 3nnk s GLN 396 Ca 0.71 2.47 0.00 0.00 0.05 0.00 0.00 55.36 58.59 3nnk s GLN 396 Cb -0.37 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.58 3nnk s GLN 396 CO 0.30 -1.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.36 3nnk n GLY 397 N 4.64 1.85 0.30 2.59 0.00 -1.26 -4.92 105.19 108.39 3nnk n GLY 397 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 0.86 -0.30 4.61 0.00 -1.84 -1.68 119.26 120.92 3nnk h ALA 398 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3nnk h ALA 398 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3nnk h ALA 398 CO 0.00 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.87 3nnk h ALA 399 N 1.07 0.40 -0.56 0.00 0.00 -1.79 -1.20 119.26 117.18 3nnk h ALA 399 Ca 0.21 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3nnk h ALA 399 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3nnk h ALA 399 CO -0.00 0.08 -0.05 0.52 0.00 0.00 0.00 179.25 179.79 3nnk h MET 400 N 0.32 1.01 0.03 0.00 2.07 -1.86 -2.28 114.93 114.22 3nnk h MET 400 Ca 0.09 -0.34 0.02 0.00 -2.07 0.00 0.00 59.70 57.40 3nnk h MET 400 Cb 0.32 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.95 3nnk h MET 400 CO 0.00 1.02 -0.13 0.37 1.07 0.00 0.00 176.91 179.25 3nnk h GLN 401 N 0.91 -0.22 -0.81 1.72 5.75 -1.19 0.11 115.11 121.38 3nnk h GLN 401 Ca 0.15 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.77 3nnk h GLN 401 Cb 0.60 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.15 3nnk h GLN 401 CO 0.04 -0.15 0.53 0.00 -2.65 0.00 0.00 178.83 176.60 3nnk h ALA 402 N 0.70 1.76 -0.13 3.38 0.00 -1.08 0.27 119.26 124.16 3nnk h ALA 402 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3nnk h ALA 402 Cb 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3nnk h ALA 402 CO -0.10 0.06 -0.17 0.00 0.00 0.00 0.00 179.25 179.05 3nnk h ALA 403 N 1.60 0.19 -0.74 0.00 0.00 -0.95 -3.04 119.26 116.32 3nnk h ALA 403 Ca 0.38 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3nnk h ALA 403 Cb 0.48 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3nnk h ALA 403 CO -0.15 0.10 0.30 -1.49 0.00 0.00 0.00 179.25 178.01 3nnk h TRP 404 N -0.06 1.12 -0.38 0.00 6.55 -0.12 -2.55 115.95 120.51 3nnk h TRP 404 Ca 0.02 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 59.78 3nnk h TRP 404 Cb 0.72 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 28.66 3nnk h TRP 404 CO 0.09 0.85 0.24 -0.44 -1.05 0.00 0.00 178.44 178.14 3nnk h ASP 405 N 1.06 0.44 -0.08 -3.49 3.32 -0.54 -0.22 116.42 116.92 3nnk h ASP 405 Ca 0.25 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3nnk h ASP 405 Cb 0.20 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3nnk h ASP 405 CO -0.02 0.33 -0.25 -0.74 -1.72 0.00 0.00 179.24 176.84 3nnk h HIS 406 N 0.52 0.40 0.00 4.55 2.76 -1.39 -2.33 115.15 119.65 3nnk h HIS 406 Ca 0.14 -0.16 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 3nnk h HIS 406 Cb -0.04 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 3nnk h HIS 406 CO 0.00 0.86 -0.36 1.88 -1.30 0.00 0.00 177.93 179.01 3nnk h TYR 407 N -0.18 0.00 0.05 5.26 0.05 -1.13 -1.60 116.97 119.41 3nnk h TYR 407 Ca -0.01 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.52 3nnk h TYR 407 Cb 0.87 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.62 3nnk h TYR 407 CO 0.12 0.36 -1.06 0.00 -1.05 0.00 0.00 178.16 176.53 3nnk h ARG 408 N 0.00 0.43 -0.07 4.88 -0.00 -1.11 -3.10 114.38 115.41 3nnk h ARG 408 Ca -0.00 -0.53 -0.01 0.00 -0.50 0.00 0.00 59.98 58.94 3nnk h ARG 408 Cb 0.67 0.17 -0.00 0.00 0.00 0.00 0.00 29.97 30.80 3nnk h ARG 408 CO 0.05 1.19 -0.01 0.77 0.00 0.00 0.00 179.97 181.96 3nnk h SER 409 N 0.21 0.13 0.99 7.04 0.02 -1.18 -3.26 113.55 117.50 3nnk h SER 409 Ca -0.11 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 3nnk h SER 409 Cb 1.73 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.23 3nnk h SER 409 CO 0.19 0.46 -0.10 -0.08 -1.14 0.00 0.00 176.83 176.16 3nnk h GLU 410 N -0.19 0.00 -0.03 3.45 4.57 -1.41 -3.51 114.58 117.45 3nnk h GLU 410 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3nnk h GLU 410 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3nnk h GLU 410 CO 0.01 0.10 0.00 0.54 -1.18 0.00 0.00 179.01 178.47