#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nnk n ILE 3 N 0.00 0.98 0.15 5.18 0.13 -1.26 -2.91 119.36 121.64 3nnk n ILE 3 Ca 0.00 0.33 0.00 0.00 -1.10 0.00 0.00 62.75 61.99 3nnk n ILE 3 Cb 0.00 -1.24 0.24 0.00 -0.84 0.00 0.00 39.64 37.80 3nnk n ILE 3 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3nnk h THR 4 N 0.00 1.35 -0.21 9.51 1.35 -2.10 -3.04 112.91 119.76 3nnk h THR 4 Ca 0.00 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3nnk h THR 4 Cb 0.26 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3nnk h THR 4 CO 0.00 0.52 0.00 0.00 -0.25 0.00 0.00 175.52 175.79 3nnk n GLN 5 N -3.85 1.66 -3.31 4.72 10.64 -1.14 -4.44 117.38 121.64 3nnk n GLN 5 Ca -0.01 -0.83 -0.47 0.00 -1.83 0.00 0.00 57.00 53.86 3nnk n GLN 5 Cb 0.55 -1.29 -0.03 0.00 -0.86 0.00 0.00 30.24 28.60 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 -1.66 3.56 0.62 2.61 0.40 -1.15 -5.06 117.98 117.29 3nnk s PHE 6 Ca 0.15 -1.72 -0.00 0.00 -0.60 0.00 0.00 56.93 54.76 3nnk s PHE 6 Cb 0.09 -3.82 0.07 0.00 0.51 0.00 0.00 43.02 39.86 3nnk s PHE 6 CO 0.09 -1.01 0.87 -1.54 0.70 0.00 0.00 175.22 174.33 3nnk s SER 7 N 2.72 4.94 0.85 1.36 1.04 -1.26 -5.06 113.70 118.28 3nnk s SER 7 Ca 0.13 -0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 3nnk s SER 7 Cb -0.18 -0.62 0.02 0.00 0.10 0.00 0.00 66.02 65.34 3nnk s SER 7 CO -0.04 -1.42 0.60 0.00 0.98 0.00 0.00 173.24 173.36 3nnk n GLN 8 N -2.56 -0.01 -1.68 4.02 10.64 -1.26 -4.85 117.38 121.68 3nnk n GLN 8 Ca 0.10 0.05 -0.44 0.00 -1.83 0.00 0.00 57.00 54.88 3nnk n GLN 8 Cb 0.60 -1.96 -0.04 0.00 -0.86 0.00 0.00 30.24 27.98 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 -1.37 3.73 -3.07 2.61 -0.00 -1.26 -4.94 117.00 112.70 3nnk n LEU 9 Ca 0.09 1.00 -0.19 0.00 -0.00 0.00 0.00 56.01 56.91 3nnk n LEU 9 Cb 0.52 -1.49 -0.04 0.00 -0.00 0.00 0.00 43.42 42.41 3nnk n LEU 9 CO 0.50 0.04 -0.15 -3.20 -0.00 0.00 0.00 177.39 174.57 3nnk n ASN 10 N 5.36 -0.76 -4.78 1.96 4.05 -1.26 -5.13 115.26 114.70 3nnk n ASN 10 Ca 0.19 -2.86 -0.36 0.00 0.45 0.00 0.00 54.58 52.00 3nnk n ASN 10 Cb 0.34 0.09 -0.04 0.00 1.23 0.00 0.00 39.78 41.40 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 -0.59 4.08 0.58 1.20 0.04 -1.26 -5.02 135.00 134.03 3nnk s PRO 11 Ca 0.34 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 3nnk s PRO 11 Cb 0.18 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3nnk s PRO 11 CO -0.15 -0.22 1.06 -1.25 0.04 0.00 0.00 177.00 176.48 3nnk s PRO 12 N -2.62 3.35 0.31 0.56 0.04 -1.26 -4.99 135.00 130.39 3nnk s PRO 12 Ca 0.60 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 3nnk s PRO 12 Cb -0.22 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 3nnk s PRO 12 CO 0.27 -0.79 1.37 0.45 0.04 0.00 0.00 177.00 178.34 3nnk s SER 13 N -2.60 6.67 -0.11 6.66 0.15 -1.26 -5.02 113.70 118.20 3nnk s SER 13 Ca 0.65 2.73 -0.10 0.00 0.70 0.00 0.00 55.95 59.93 3nnk s SER 13 Cb -0.17 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.53 3nnk s SER 13 CO 0.34 -0.64 0.29 -0.13 1.20 0.00 0.00 173.24 174.30 3nnk s ARG 14 N -1.37 0.34 -0.42 5.44 1.81 -1.26 -4.86 118.95 118.63 3nnk s ARG 14 Ca 0.53 0.38 -0.12 0.00 -1.72 0.00 0.00 55.73 54.80 3nnk s ARG 14 Cb -0.41 0.17 0.05 0.00 -0.45 0.00 0.00 34.95 34.31 3nnk s ARG 14 CO 0.51 -0.04 0.29 -1.17 -0.68 0.00 0.00 175.30 174.21 3nnk s LEU 15 N 0.11 5.16 -0.61 2.53 2.96 0.86 -4.90 118.68 124.79 3nnk s LEU 15 Ca -0.00 -1.22 -0.21 0.00 -0.22 0.00 0.00 54.13 52.48 3nnk s LEU 15 Cb -0.02 -2.08 0.08 0.00 0.50 0.00 0.00 46.19 44.67 3nnk s LEU 15 CO 0.00 -0.51 0.83 -0.76 -1.32 0.00 0.00 176.35 174.59 3nnk s LEU 16 N 1.56 4.81 -0.35 -0.68 1.43 -1.26 -1.15 118.68 123.04 3nnk s LEU 16 Ca 0.03 -1.11 0.06 0.00 -1.03 0.00 0.00 54.13 52.08 3nnk s LEU 16 Cb -0.22 -2.40 0.46 0.00 0.03 0.00 0.00 46.19 44.06 3nnk s LEU 16 CO 0.06 -1.25 1.31 0.23 0.23 0.00 0.00 176.35 176.93 3nnk n MET 17 N 7.01 3.48 -0.21 1.70 2.81 0.73 -4.48 117.12 128.16 3nnk n MET 17 Ca -0.06 -4.06 0.00 0.00 -1.81 0.00 0.00 57.70 51.77 3nnk n MET 17 Cb 0.44 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.67 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 -0.73 3.09 0.00 3.03 0.00 -1.11 -0.24 105.19 109.23 3nnk n GLY 18 Ca 0.47 -2.06 0.15 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 -0.14 0.80 0.00 1.61 -0.04 -1.26 -3.00 135.00 132.97 3nnk n PRO 19 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3nnk n PRO 19 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3nnk n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nnk n GLY 20 N 0.97 3.87 3.80 0.55 0.00 -1.26 -4.93 105.19 108.18 3nnk n GLY 20 Ca 0.20 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.57 3.20 0.29 1.61 0.04 -1.26 -5.12 135.00 130.18 3nnk s PRO 21 Ca 0.00 1.20 0.10 0.00 0.04 0.00 0.00 61.00 62.33 3nnk s PRO 21 Cb 0.00 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3nnk s PRO 21 CO 0.00 -0.91 -0.01 0.96 0.04 0.00 0.00 177.00 177.08 3nnk s ILE 22 N -2.52 3.07 0.15 0.56 -5.25 -0.96 -4.85 121.20 111.39 3nnk s ILE 22 Ca 0.63 -1.97 -0.33 0.00 -0.99 0.00 0.00 60.65 57.99 3nnk s ILE 22 Cb -0.16 -2.77 -0.17 0.00 2.95 0.00 0.00 42.46 42.31 3nnk s ILE 22 CO 0.40 -0.32 0.99 0.59 -1.79 0.00 0.00 174.94 174.81 3nnk n ASN 23 N -0.90 0.44 -4.81 4.36 4.13 -1.26 -4.87 115.26 112.35 3nnk n ASN 23 Ca -0.05 1.14 -0.33 0.00 1.68 0.00 0.00 54.58 57.02 3nnk n ASN 23 Cb 0.60 -1.09 -0.07 0.00 -1.54 0.00 0.00 39.78 37.68 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 -0.38 3.04 0.12 5.41 0.00 -1.26 -4.56 121.76 124.14 3nnk s ALA 24 Ca 0.74 0.43 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 3nnk s ALA 24 Cb -0.96 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 18.92 3nnk s ALA 24 CO 0.55 0.10 1.46 0.34 0.00 0.00 0.00 175.76 178.20 3nnk s ASP 25 N -2.11 6.74 0.63 0.00 -1.08 0.47 -4.91 116.67 116.42 3nnk s ASP 25 Ca 0.61 2.41 0.34 0.00 -0.52 0.00 0.00 52.55 55.40 3nnk s ASP 25 Cb -0.11 -2.59 1.92 0.00 -1.46 0.00 0.00 42.92 40.69 3nnk s ASP 25 CO 0.15 -0.72 2.16 -0.65 0.52 0.00 0.00 175.17 176.63 3nnk h PRO 26 N 6.92 0.00 -0.08 4.34 0.11 -1.95 0.37 132.00 141.71 3nnk h PRO 26 Ca -0.42 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 3nnk h PRO 26 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3nnk h PRO 26 CO 0.88 0.00 -0.72 0.00 -0.21 0.00 0.00 178.00 177.96 3nnk h ARG 27 N 0.00 0.37 -0.47 1.05 -0.00 -1.94 -2.04 114.38 111.36 3nnk h ARG 27 Ca 0.03 -0.30 -0.12 0.00 -0.50 0.00 0.00 59.98 59.09 3nnk h ARG 27 Cb 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.35 3nnk h ARG 27 CO -0.00 0.94 -0.16 0.28 0.00 0.00 0.00 179.97 181.03 3nnk h VAL 28 N 0.26 1.27 -0.36 2.04 2.07 -1.22 -2.42 116.25 117.89 3nnk h VAL 28 Ca -0.03 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 3nnk h VAL 28 Cb 1.28 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3nnk h VAL 28 CO 0.12 0.45 0.04 -0.07 0.02 0.00 0.00 177.57 178.13 3nnk h LEU 29 N 0.78 0.58 -0.83 2.57 3.38 -1.43 -2.89 115.31 117.46 3nnk h LEU 29 Ca 0.11 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3nnk h LEU 29 Cb 0.72 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3nnk h LEU 29 CO 0.06 0.71 0.06 0.03 0.09 0.00 0.00 178.44 179.39 3nnk h ARG 30 N 0.43 0.93 0.00 1.13 3.08 -1.40 -2.76 114.38 115.79 3nnk h ARG 30 Ca 0.11 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3nnk h ARG 30 Cb 0.39 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3nnk h ARG 30 CO 0.01 0.89 -0.05 0.00 -1.07 0.00 0.00 179.97 179.74 3nnk h ALA 31 N 1.19 1.12 0.00 0.04 0.00 -1.34 -2.37 119.26 117.89 3nnk h ALA 31 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3nnk h ALA 31 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3nnk h ALA 31 CO 0.01 0.07 -0.19 0.52 0.00 0.00 0.00 179.25 179.67 3nnk h MET 32 N 0.00 0.00 0.00 0.00 2.86 -1.28 -3.19 114.93 113.32 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 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3nnk h MET 32 CO 0.01 0.19 0.00 -1.13 1.06 0.00 0.00 176.91 177.03 3nnk n SER 33 N -3.17 0.00 -4.77 1.22 3.41 -0.89 -4.88 113.62 104.54 3nnk n SER 33 Ca 0.03 0.46 -0.40 0.00 -0.26 0.00 0.00 58.87 58.71 3nnk n SER 33 Cb 0.57 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.98 6.03 0.56 4.04 0.15 -1.21 -4.98 113.70 115.32 3nnk s SER 34 Ca 0.14 2.79 -0.19 0.00 0.70 0.00 0.00 55.95 59.39 3nnk s SER 34 Cb 0.18 -2.65 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 3nnk s SER 34 CO 0.48 -1.06 1.11 -1.58 1.20 0.00 0.00 173.24 173.40 3nnk s GLN 35 N -2.39 3.31 0.46 5.44 2.00 -1.26 -4.97 119.66 122.25 3nnk s GLN 35 Ca 0.60 1.52 -0.04 0.00 -2.00 0.00 0.00 55.36 55.43 3nnk s GLN 35 Cb -0.41 -2.01 -0.04 0.00 0.80 0.00 0.00 33.01 31.36 3nnk s GLN 35 CO 0.52 -0.86 0.75 -0.51 -0.50 0.00 0.00 175.29 174.69 3nnk s LEU 36 N -3.99 3.68 0.41 3.68 1.43 -1.26 -5.10 118.68 117.53 3nnk s LEU 36 Ca 0.70 0.86 0.05 0.00 -1.03 0.00 0.00 54.13 54.71 3nnk s LEU 36 Cb -0.22 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.14 3nnk s LEU 36 CO 0.29 -0.54 0.03 0.27 0.23 0.00 0.00 176.35 176.63 3nnk s ILE 37 N -2.68 1.54 0.90 -0.59 -0.00 -1.26 -5.15 121.20 113.96 3nnk s ILE 37 Ca 0.46 -2.00 -0.11 0.00 -0.00 0.00 0.00 60.65 59.00 3nnk s ILE 37 Cb -0.10 -2.75 0.13 0.00 -0.00 0.00 0.00 42.46 39.75 3nnk s ILE 37 CO 0.44 0.00 1.10 -0.83 -0.00 0.00 0.00 174.94 175.65 3nnk s GLY 38 N -3.68 1.65 0.28 6.27 0.00 -1.26 -4.93 107.32 105.64 3nnk s GLY 38 Ca 0.29 0.22 0.01 0.00 0.00 0.00 0.00 44.72 45.24 3nnk s GLY 38 CO 0.14 0.68 1.80 -1.61 0.00 0.00 0.00 173.10 174.11 3nnk h GLN 39 N -1.67 0.80 -0.12 2.90 4.15 -2.01 -2.98 115.11 116.18 3nnk h GLN 39 Ca -0.47 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3nnk h GLN 39 Cb 1.27 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3nnk h GLN 39 CO 0.49 0.53 0.00 0.66 -1.93 0.00 0.00 178.83 178.58 3nnk n TYR 40 N -4.73 0.36 -1.71 3.99 4.01 -1.26 -4.61 117.16 113.19 3nnk n TYR 40 Ca 0.19 -0.83 -0.43 0.00 -0.16 0.00 0.00 57.90 56.67 3nnk n TYR 40 Cb 0.43 -0.18 -0.01 0.00 -0.31 0.00 0.00 39.34 39.27 3nnk n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3nnk n ASP 41 N -0.79 3.12 -0.27 7.72 -0.08 -1.13 -4.77 116.55 120.35 3nnk n ASP 41 Ca 0.15 1.19 0.29 0.00 -1.51 0.00 0.00 54.79 54.91 3nnk n ASP 41 Cb 0.64 -1.51 0.67 0.00 2.34 0.00 0.00 41.12 43.26 3nnk n ASP 41 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3nnk h PRO 42 N 3.36 0.11 -0.23 -0.67 0.11 -1.95 0.17 132.00 132.89 3nnk h PRO 42 Ca -0.47 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 3nnk h PRO 42 Cb 1.26 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3nnk h PRO 42 CO 0.69 0.07 -0.55 0.00 -0.21 0.00 0.00 178.00 178.00 3nnk h ALA 43 N 1.51 0.59 -0.21 -0.75 0.00 -1.96 -1.90 119.26 116.55 3nnk h ALA 43 Ca 0.52 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3nnk h ALA 43 Cb 1.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3nnk h ALA 43 CO -0.08 0.69 -0.08 1.98 0.00 0.00 0.00 179.25 181.75 3nnk h MET 44 N 0.54 0.42 -0.45 0.00 -1.53 -0.99 0.70 114.93 113.62 3nnk h MET 44 Ca 0.01 -0.18 -0.05 0.00 -3.44 0.00 0.00 59.70 56.04 3nnk h MET 44 Cb 1.12 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 32.13 3nnk h MET 44 CO 0.11 0.69 0.06 1.79 0.14 0.00 0.00 176.91 179.71 3nnk h THR 45 N 0.13 1.21 -0.50 -0.77 1.35 -1.43 -0.85 112.91 112.06 3nnk h THR 45 Ca 0.05 -0.81 -0.06 0.00 -0.55 0.00 0.00 66.41 65.03 3nnk h THR 45 Cb 0.56 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 3nnk h THR 45 CO 0.03 0.29 0.06 -0.74 -0.25 0.00 0.00 175.52 174.91 3nnk h HIS 46 N 0.66 0.89 -0.34 4.73 6.17 -1.19 -1.89 115.15 124.17 3nnk h HIS 46 Ca 0.14 -0.13 -0.10 0.00 0.71 0.00 0.00 60.37 60.99 3nnk h HIS 46 Cb 0.32 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.99 3nnk h HIS 46 CO 0.01 0.82 -0.21 1.88 0.71 0.00 0.00 177.93 181.15 3nnk h TYR 47 N 0.71 0.73 -0.69 5.26 0.99 -0.49 -1.06 116.97 122.42 3nnk h TYR 47 Ca 0.15 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 3nnk h TYR 47 Cb 0.42 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 37.94 3nnk h TYR 47 CO 0.03 0.81 0.33 0.52 -0.00 0.00 0.00 178.16 179.86 3nnk h MET 48 N 0.58 1.00 0.00 4.88 2.86 -1.09 -1.69 114.93 121.48 3nnk h MET 48 Ca 0.09 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3nnk h MET 48 Cb 0.67 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3nnk h MET 48 CO 0.05 0.79 -0.36 -0.91 1.06 0.00 0.00 176.91 177.54 3nnk h ASN 49 N 0.97 0.00 -0.27 1.22 -0.26 -1.06 -2.87 115.58 113.31 3nnk h ASN 49 Ca 0.24 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.79 3nnk h ASN 49 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 3nnk h ASN 49 CO -0.03 0.36 -0.58 -0.33 -1.06 0.00 0.00 177.43 175.79 3nnk h GLU 50 N 0.00 0.88 -0.96 0.81 5.08 -0.91 -3.01 114.58 116.46 3nnk h GLU 50 Ca -0.00 -0.58 0.02 0.00 -1.00 0.00 0.00 59.36 57.80 3nnk h GLU 50 Cb 0.72 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 3nnk h GLU 50 CO 0.05 1.21 0.64 0.28 -1.00 0.00 0.00 179.01 180.18 3nnk h VAL 51 N 0.66 1.23 -0.04 3.13 2.07 -1.15 -1.25 116.25 120.90 3nnk h VAL 51 Ca 0.01 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3nnk h VAL 51 Cb 1.19 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3nnk h VAL 51 CO 0.13 0.23 0.02 0.24 0.02 0.00 0.00 177.57 178.21 3nnk h MET 52 N 1.28 0.05 -0.77 1.57 2.86 -1.53 -2.09 114.93 116.31 3nnk h MET 52 Ca 0.36 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.95 3nnk h MET 52 Cb -0.11 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3nnk h MET 52 CO -0.09 0.12 0.32 0.00 1.06 0.00 0.00 176.91 178.32 3nnk h ALA 53 N 0.93 1.12 -0.19 6.32 0.00 -1.35 -2.06 119.26 124.03 3nnk h ALA 53 Ca 0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3nnk h ALA 53 Cb 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3nnk h ALA 53 CO -0.00 0.64 -0.10 -0.07 0.00 0.00 0.00 179.25 179.71 3nnk h LEU 54 N 1.11 0.42 -0.80 0.00 3.38 -1.19 -3.12 115.31 115.12 3nnk h LEU 54 Ca 0.26 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3nnk h LEU 54 Cb 0.19 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3nnk h LEU 54 CO -0.02 0.75 -0.11 1.88 0.09 0.00 0.00 178.44 181.02 3nnk h TYR 55 N 0.10 0.00 -0.78 1.13 0.05 -1.33 -1.51 116.97 114.63 3nnk h TYR 55 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3nnk h TYR 55 Cb 0.60 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.30 3nnk h TYR 55 CO 0.07 0.11 0.50 0.00 -1.05 0.00 0.00 178.16 177.79 3nnk h ARG 56 N 0.00 1.04 -0.17 4.88 3.08 -1.36 0.90 114.38 122.75 3nnk h ARG 56 Ca -0.00 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 3nnk h ARG 56 Cb 0.81 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3nnk h ARG 56 CO 0.01 0.71 -0.11 0.78 -1.07 0.00 0.00 179.97 180.29 3nnk h GLY 57 N 1.08 0.41 0.88 0.04 0.00 -1.24 0.04 103.07 104.28 3nnk h GLY 57 Ca 0.28 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3nnk h GLY 57 CO -0.06 0.35 0.05 -2.08 0.00 0.00 0.00 176.54 174.81 3nnk h VAL 58 N 0.05 1.22 0.00 4.60 2.07 -1.18 -2.70 116.25 120.31 3nnk h VAL 58 Ca 0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3nnk h VAL 58 Cb 0.61 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3nnk h VAL 58 CO 0.03 0.24 0.00 -0.26 0.02 0.00 0.00 177.57 177.60 3nnk h PHE 59 N 0.27 0.00 -4.85 1.57 0.04 -0.92 -3.47 116.94 109.59 3nnk h PHE 59 Ca 0.08 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.66 3nnk h PHE 59 Cb 0.31 0.00 0.15 0.00 2.20 0.00 0.00 35.95 38.61 3nnk h PHE 59 CO 0.02 0.00 -0.65 0.54 -0.60 0.00 0.00 178.31 177.62 3nnk n ARG 60 N -2.77 -1.87 -3.85 1.51 5.12 -0.80 -2.62 116.66 111.37 3nnk n ARG 60 Ca 0.01 0.66 -0.09 0.00 -1.93 0.00 0.00 57.85 56.50 3nnk n ARG 60 Cb 0.30 -4.79 -0.08 0.00 -1.16 0.00 0.00 32.46 26.73 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 -3.29 0.13 -1.91 0.55 -1.32 -0.07 -3.00 115.64 106.73 3nnk s THR 61 Ca 0.33 -1.06 0.18 0.00 -1.21 0.00 0.00 61.69 59.93 3nnk s THR 61 Cb -0.04 -1.18 0.06 0.00 -1.51 0.00 0.00 72.50 69.83 3nnk s THR 61 CO 0.56 -0.59 0.99 -0.62 -2.21 0.00 0.00 174.62 172.75 3nnk n GLU 62 N 0.22 1.58 -1.63 7.08 1.02 -1.26 -4.50 120.64 123.15 3nnk n GLU 62 Ca -0.16 -1.16 -0.61 0.00 -0.02 0.00 0.00 57.16 55.20 3nnk n GLU 62 Cb 0.61 -1.34 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 3nnk n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nnk n ASN 63 N 0.37 0.97 -0.32 1.62 3.02 -1.26 -4.86 115.26 114.80 3nnk n ASN 63 Ca 0.09 1.16 -0.01 0.00 -0.03 0.00 0.00 54.58 55.79 3nnk n ASN 63 Cb 0.41 -0.97 0.12 0.00 -0.61 0.00 0.00 39.78 38.74 3nnk n ASN 63 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3nnk h ARG 64 N 4.51 1.02 -4.25 3.52 2.43 -1.96 -3.36 114.38 116.29 3nnk h ARG 64 Ca -0.47 -0.06 -0.76 0.00 -0.81 0.00 0.00 59.98 57.88 3nnk h ARG 64 Cb 1.38 -0.23 -0.23 0.00 -0.42 0.00 0.00 29.97 30.47 3nnk h ARG 64 CO 0.83 0.67 0.64 -1.58 -1.51 0.00 0.00 179.97 179.03 3nnk s TRP 65 N -6.08 3.69 -0.13 2.20 0.52 -1.26 -4.94 118.94 112.93 3nnk s TRP 65 Ca -0.13 -2.06 -0.00 0.00 0.02 0.00 0.00 56.10 53.93 3nnk s TRP 65 Cb 0.18 -4.04 0.03 0.00 -1.15 0.00 0.00 33.47 28.48 3nnk s TRP 65 CO 0.79 -1.19 -0.09 0.99 0.02 0.00 0.00 176.95 177.47 3nnk s THR 66 N 0.71 1.20 0.00 2.01 2.01 -1.26 -0.95 115.64 119.35 3nnk s THR 66 Ca 0.30 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.89 3nnk s THR 66 Cb -0.07 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.25 3nnk s THR 66 CO -0.07 0.38 0.00 1.15 -0.69 0.00 0.00 174.62 175.39 3nnk n MET 67 N 4.89 0.00 -4.98 4.92 0.00 -0.44 -4.28 117.12 117.22 3nnk n MET 67 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.29 3nnk n MET 67 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.56 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 2.01 -0.16 3.17 1.43 -1.26 -1.59 118.68 122.27 3nnk s LEU 68 Ca 0.00 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 3nnk s LEU 68 Cb 0.00 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.11 3nnk s LEU 68 CO 0.00 0.22 0.28 -0.69 0.23 0.00 0.00 176.35 176.40 3nnk s VAL 69 N -0.30 5.31 -1.32 -1.59 1.01 0.02 -4.97 120.40 118.56 3nnk s VAL 69 Ca 0.03 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 3nnk s VAL 69 Cb -0.10 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.74 3nnk s VAL 69 CO 0.01 0.40 1.81 -0.90 0.00 0.00 0.00 175.10 176.42 3nnk n ASP 70 N 3.50 4.76 -3.59 3.32 5.75 -1.26 -1.47 116.55 127.55 3nnk n ASP 70 Ca -0.12 -2.92 0.02 0.00 -0.01 0.00 0.00 54.79 51.76 3nnk n ASP 70 Cb 0.52 -1.70 -0.00 0.00 -1.03 0.00 0.00 41.12 38.91 3nnk n ASP 70 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3nnk s GLY 71 N 3.73 -0.45 1.12 6.12 0.00 -0.96 -4.97 107.32 111.90 3nnk s GLY 71 Ca 0.51 0.80 -0.13 0.00 0.00 0.00 0.00 44.72 45.90 3nnk s GLY 71 CO 0.03 0.14 1.05 -0.51 0.00 0.00 0.00 173.10 173.81 3nnk s THR 72 N -2.28 2.01 0.31 0.90 -4.23 -1.26 -2.04 115.64 109.06 3nnk s THR 72 Ca 0.14 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.73 3nnk s THR 72 Cb 0.06 -2.22 0.33 0.00 1.34 0.00 0.00 72.50 72.01 3nnk s THR 72 CO -0.05 -0.01 1.65 0.28 -0.54 0.00 0.00 174.62 175.95 3nnk h SER 73 N -2.41 0.17 0.80 3.99 0.02 -1.80 0.14 113.55 114.47 3nnk h SER 73 Ca -0.60 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3nnk h SER 73 Cb 1.34 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.11 3nnk h SER 73 CO 0.53 -0.17 0.00 -2.11 -1.14 0.00 0.00 176.83 173.94 3nnk n ARG 74 N -5.18 0.16 0.00 3.45 1.85 -1.26 -2.15 116.66 113.54 3nnk n ARG 74 Ca 0.26 0.02 -0.13 0.00 -1.00 0.00 0.00 57.85 57.00 3nnk n ARG 74 Cb 0.82 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.72 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 3.12 0.50 -0.08 2.89 0.00 -1.01 -1.99 119.26 122.70 3nnk h ALA 75 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3nnk h ALA 75 Cb 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3nnk h ALA 75 CO 0.00 0.71 0.04 0.78 0.00 0.00 0.00 179.25 180.79 3nnk h GLY 76 N 0.93 0.12 0.12 0.00 0.00 -1.42 0.10 103.07 102.92 3nnk h GLY 76 Ca -0.03 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.29 3nnk h GLY 76 CO 0.13 0.05 -0.35 -2.22 0.00 0.00 0.00 176.54 174.16 3nnk h ILE 77 N 0.03 0.24 -0.58 2.60 2.04 -1.53 -1.50 117.51 118.82 3nnk h ILE 77 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3nnk h ILE 77 Cb 0.08 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 3nnk h ILE 77 CO -0.00 0.00 0.21 -0.08 0.00 0.00 0.00 178.15 178.27 3nnk h GLU 78 N -0.43 0.86 -0.39 2.37 4.81 -1.23 -0.97 114.58 119.60 3nnk h GLU 78 Ca 0.09 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3nnk h GLU 78 Cb 0.57 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3nnk h GLU 78 CO -0.36 0.72 0.24 0.00 -0.73 0.00 0.00 179.01 178.87 3nnk h ALA 79 N 1.39 0.49 -0.31 2.92 0.00 -0.43 -0.18 119.26 123.15 3nnk h ALA 79 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3nnk h ALA 79 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3nnk h ALA 79 CO -0.01 -0.09 0.00 0.82 0.00 0.00 0.00 179.25 179.97 3nnk h ILE 80 N 0.48 1.26 -0.01 0.00 2.04 -0.73 -2.40 117.51 118.14 3nnk h ILE 80 Ca 0.15 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3nnk h ILE 80 Cb -0.01 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3nnk h ILE 80 CO -0.06 0.30 -0.00 -0.07 0.00 0.00 0.00 178.15 178.32 3nnk h LEU 81 N 0.34 0.03 -1.79 1.44 3.38 -1.09 -1.74 115.31 115.87 3nnk h LEU 81 Ca 0.09 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.75 3nnk h LEU 81 Cb 0.43 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3nnk h LEU 81 CO 0.02 0.40 0.27 0.58 0.09 0.00 0.00 178.44 179.79 3nnk h VAL 82 N -0.34 0.93 0.00 1.22 2.07 -1.10 0.45 116.25 119.48 3nnk h VAL 82 Ca 0.00 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3nnk h VAL 82 Cb 0.39 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3nnk h VAL 82 CO 0.00 0.05 -0.13 0.28 0.02 0.00 0.00 177.57 177.78 3nnk h SER 83 N 0.25 0.00 0.00 0.57 0.02 -1.27 -3.36 113.55 109.77 3nnk h SER 83 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3nnk h SER 83 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3nnk h SER 83 CO -0.03 0.00 -0.82 0.00 -1.14 0.00 0.00 176.83 174.84 3nnk n ALA 84 N -2.11 2.92 -3.37 3.77 0.00 -0.53 -4.50 120.51 116.70 3nnk n ALA 84 Ca 0.03 -0.26 -0.37 0.00 0.00 0.00 0.00 53.44 52.85 3nnk n ALA 84 Cb 0.53 -0.35 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 3nnk n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nnk s ILE 85 N -2.20 3.55 0.31 0.00 1.01 0.15 -5.00 121.20 119.03 3nnk s ILE 85 Ca 0.01 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 59.46 3nnk s ILE 85 Cb 0.07 -2.92 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 3nnk s ILE 85 CO 0.40 -0.02 0.80 -0.13 0.00 0.00 0.00 174.94 175.99 3nnk s ARG 86 N 1.40 4.18 -0.01 2.79 3.00 -1.26 -4.76 118.95 124.28 3nnk s ARG 86 Ca -0.01 0.88 -0.34 0.00 0.00 0.00 0.00 55.73 56.27 3nnk s ARG 86 Cb -0.18 -2.55 -0.12 0.00 0.00 0.00 0.00 34.95 32.09 3nnk s ARG 86 CO 0.01 0.20 1.79 -2.30 0.00 0.00 0.00 175.30 175.00 3nnk n PRO 87 N -0.00 2.18 0.00 3.54 -0.02 -1.26 -1.77 135.00 137.67 3nnk n PRO 87 Ca 0.02 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3nnk n PRO 87 Cb 0.52 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 4.09 1.79 3.66 -1.23 0.00 0.26 -4.98 105.19 108.78 3nnk n GLY 88 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3nnk n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nnk n ASP 89 N 0.00 2.35 -4.71 1.61 8.00 -0.73 -4.12 116.55 118.96 3nnk n ASP 89 Ca 0.00 1.19 -0.41 0.00 0.71 0.00 0.00 54.79 56.29 3nnk n ASP 89 Cb 0.00 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.12 39.64 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 -1.61 4.46 -0.01 -1.24 1.02 -1.26 -0.01 119.74 121.09 3nnk s LYS 90 Ca 0.58 1.10 0.05 0.00 0.02 0.00 0.00 55.97 57.71 3nnk s LYS 90 Cb -0.62 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.21 3nnk s LYS 90 CO 0.60 -0.03 -0.16 0.08 -0.92 0.00 0.00 175.35 174.92 3nnk s VAL 91 N 1.05 1.30 -0.17 3.17 1.01 -0.58 0.13 120.40 126.31 3nnk s VAL 91 Ca 0.43 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3nnk s VAL 91 Cb -0.19 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 3nnk s VAL 91 CO 0.21 0.37 -0.12 -0.22 0.00 0.00 0.00 175.10 175.33 3nnk s LEU 92 N -0.39 2.61 -0.28 3.92 2.96 -0.56 -0.98 118.68 125.95 3nnk s LEU 92 Ca 0.06 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3nnk s LEU 92 Cb -0.06 -1.61 0.08 0.00 0.50 0.00 0.00 46.19 45.09 3nnk s LEU 92 CO -0.01 0.06 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.36 3nnk s VAL 93 N 0.96 2.00 -0.30 1.68 1.01 -0.29 0.04 120.40 125.50 3nnk s VAL 93 Ca -0.02 -1.77 -0.29 0.00 0.00 0.00 0.00 61.98 59.90 3nnk s VAL 93 Cb -0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3nnk s VAL 93 CO -0.01 -0.27 1.43 -2.84 0.00 0.00 0.00 175.10 173.41 3nnk s PRO 94 N 1.13 3.79 -0.33 2.72 0.02 -1.25 -2.58 135.00 138.50 3nnk s PRO 94 Ca -0.01 1.31 -0.12 0.00 0.02 0.00 0.00 61.00 62.21 3nnk s PRO 94 Cb -0.19 -3.97 -0.01 0.00 0.02 0.00 0.00 34.50 30.35 3nnk s PRO 94 CO -0.07 -1.29 0.21 0.08 -0.33 0.00 0.00 177.00 175.59 3nnk s VAL 95 N 4.93 4.97 0.00 3.83 1.01 0.12 -4.67 120.40 130.60 3nnk s VAL 95 Ca 0.63 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3nnk s VAL 95 Cb -0.19 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3nnk s VAL 95 CO 0.27 -0.00 0.89 2.22 0.00 0.00 0.00 175.10 178.48 3nnk n PHE 96 N 5.05 0.00 -1.95 5.22 1.16 -1.26 -2.49 117.46 123.19 3nnk n PHE 96 Ca -0.13 -0.39 0.00 0.00 -1.87 0.00 0.00 57.45 55.06 3nnk n PHE 96 Cb 0.49 -0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 3nnk n PHE 96 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3nnk n GLY 97 N -0.39 -1.22 0.28 4.97 0.00 -1.26 -4.49 105.19 103.07 3nnk n GLY 97 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.19 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 0.39 0.00 1.61 1.12 -1.95 -1.80 114.38 113.76 3nnk h ARG 98 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 3nnk h ARG 98 Cb 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 29.87 3nnk h ARG 98 CO 0.00 0.26 0.00 1.19 -3.11 0.00 0.00 179.97 178.31 3nnk n PHE 99 N -5.04 0.32 -0.00 2.20 3.72 -1.26 -1.90 117.46 115.50 3nnk n PHE 99 Ca 0.16 0.11 -0.08 0.00 -0.05 0.00 0.00 57.45 57.58 3nnk n PHE 99 Cb 0.47 -0.67 0.08 0.00 -0.94 0.00 0.00 39.48 38.41 3nnk n PHE 99 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3nnk h GLY 100 N 3.92 0.62 1.84 1.37 0.00 -1.66 -2.91 103.07 106.25 3nnk h GLY 100 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 3nnk h GLY 100 CO 0.00 0.60 -0.49 0.45 0.00 0.00 0.00 176.54 177.10 3nnk h HIS 101 N 0.45 0.21 -0.56 5.60 3.86 -1.41 -2.57 115.15 120.74 3nnk h HIS 101 Ca 0.02 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3nnk h HIS 101 Cb 1.00 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.40 3nnk h HIS 101 CO 0.04 0.64 0.26 1.25 0.86 0.00 0.00 177.93 180.97 3nnk h LEU 102 N 0.14 0.75 -0.88 2.43 5.85 -1.44 -1.83 115.31 120.32 3nnk h LEU 102 Ca 0.01 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3nnk h LEU 102 Cb 0.92 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3nnk h LEU 102 CO 0.07 0.68 0.37 -0.07 -0.34 0.00 0.00 178.44 179.16 3nnk h LEU 103 N 0.76 1.08 -0.18 2.25 3.38 -1.40 -1.72 115.31 119.49 3nnk h LEU 103 Ca 0.19 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3nnk h LEU 103 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3nnk h LEU 103 CO -0.02 0.92 0.03 0.00 0.09 0.00 0.00 178.44 179.46 3nnk h GLU 105 N 0.10 0.26 -0.05 0.00 4.39 -1.13 -0.23 114.58 117.93 3nnk h GLU 105 Ca 0.08 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.74 3nnk h GLU 105 Cb 0.07 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3nnk h GLU 105 CO -0.11 0.39 -0.06 0.82 -1.16 0.00 0.00 179.01 178.90 3nnk h ILE 106 N 0.08 0.83 -0.92 3.13 2.04 -1.28 0.34 117.51 121.72 3nnk h ILE 106 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.03 3nnk h ILE 106 Cb 0.25 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3nnk h ILE 106 CO -0.00 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.74 3nnk h ALA 107 N 0.96 1.68 -0.18 1.87 0.00 -1.00 -1.10 119.26 121.49 3nnk h ALA 107 Ca 0.04 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3nnk h ALA 107 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3nnk h ALA 107 CO -0.10 0.10 -0.51 -0.09 0.00 0.00 0.00 179.25 178.66 3nnk h ARG 108 N 0.84 0.49 0.00 0.00 2.43 -0.33 -1.62 114.38 116.20 3nnk h ARG 108 Ca 0.45 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3nnk h ARG 108 Cb 0.55 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3nnk h ARG 108 CO -0.21 0.89 -0.14 0.00 -1.51 0.00 0.00 179.97 178.99 3nnk h ARG 109 N 0.39 0.00 -0.00 0.20 2.47 0.04 -1.05 114.38 116.43 3nnk h ARG 109 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3nnk h ARG 109 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3nnk h ARG 109 CO 0.09 0.14 -0.06 0.00 0.56 0.00 0.00 179.97 180.70 3nnk n ARG 111 N -1.16 -2.01 -1.93 0.00 1.74 -0.40 -4.00 116.66 108.90 3nnk n ARG 111 Ca 0.14 0.45 -0.30 0.00 -0.77 0.00 0.00 57.85 57.37 3nnk n ARG 111 Cb 0.26 -4.38 0.05 0.00 -1.02 0.00 0.00 32.46 27.37 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 -2.76 2.90 -0.60 7.54 0.00 -0.64 -0.57 121.76 127.62 3nnk s ALA 112 Ca 0.11 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 3nnk s ALA 112 Cb -0.05 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 20.17 3nnk s ALA 112 CO 0.14 -1.17 0.79 -2.00 0.00 0.00 0.00 175.76 173.52 3nnk s GLU 113 N -5.35 3.09 -0.38 0.00 2.12 0.98 -4.74 118.70 114.42 3nnk s GLU 113 Ca 0.58 -1.06 -0.25 0.00 0.36 0.00 0.00 54.97 54.60 3nnk s GLU 113 Cb -0.11 -4.22 0.01 0.00 0.26 0.00 0.00 34.13 30.07 3nnk s GLU 113 CO 0.51 -1.58 0.89 0.08 -0.54 0.00 0.00 175.26 174.62 3nnk s VAL 114 N 3.17 4.61 -0.13 3.70 1.01 -1.26 -1.53 120.40 129.98 3nnk s VAL 114 Ca 0.16 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 3nnk s VAL 114 Cb -0.21 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 3nnk s VAL 114 CO 0.09 -0.54 -0.06 -1.00 0.00 0.00 0.00 175.10 173.59 3nnk s HIS 115 N 3.40 2.98 0.09 5.22 3.76 -0.16 -5.00 115.29 125.59 3nnk s HIS 115 Ca 0.36 -0.25 0.08 0.00 -0.15 0.00 0.00 55.06 55.11 3nnk s HIS 115 Cb -0.12 -1.88 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 3nnk s HIS 115 CO 0.19 0.05 -0.22 0.95 -0.85 0.00 0.00 174.74 174.86 3nnk s THR 116 N 0.02 1.78 0.07 1.30 -4.23 -1.26 -1.14 115.64 112.19 3nnk s THR 116 Ca -0.00 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 3nnk s THR 116 Cb -0.14 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 3nnk s THR 116 CO 0.03 0.03 -0.22 0.27 -0.54 0.00 0.00 174.62 174.19 3nnk s ILE 117 N -1.06 1.75 0.01 2.99 -4.36 -1.06 -4.96 121.20 114.51 3nnk s ILE 117 Ca 0.08 -1.35 0.05 0.00 -0.26 0.00 0.00 60.65 59.16 3nnk s ILE 117 Cb -0.10 -1.54 -0.02 0.00 1.25 0.00 0.00 42.46 42.05 3nnk s ILE 117 CO 0.04 0.13 -0.15 -1.61 0.24 0.00 0.00 174.94 173.59 3nnk s GLU 118 N -1.46 1.10 0.17 0.37 2.02 -1.26 0.16 118.70 119.80 3nnk s GLU 118 Ca 0.08 -0.66 0.07 0.00 0.02 0.00 0.00 54.97 54.49 3nnk s GLU 118 Cb -0.09 -1.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.99 3nnk s GLU 118 CO 0.03 0.29 -0.16 0.14 0.02 0.00 0.00 175.26 175.58 3nnk s VAL 119 N -0.59 1.65 0.55 2.63 -7.23 -1.04 -5.00 120.40 111.39 3nnk s VAL 119 Ca 0.04 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.04 3nnk s VAL 119 Cb -0.07 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 3nnk s VAL 119 CO 0.00 -0.46 1.10 -2.16 -0.31 0.00 0.00 175.10 173.28 3nnk s PRO 120 N -3.11 3.37 0.09 4.82 0.04 -1.26 -4.60 135.00 134.36 3nnk s PRO 120 Ca 0.17 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 3nnk s PRO 120 Cb -0.03 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3nnk s PRO 120 CO 0.06 -0.81 1.41 -1.58 0.04 0.00 0.00 177.00 176.11 3nnk s TRP 121 N -1.98 3.13 -0.55 0.56 0.52 -1.26 0.11 118.94 119.48 3nnk s TRP 121 Ca 0.70 0.89 0.04 0.00 0.02 0.00 0.00 56.10 57.75 3nnk s TRP 121 Cb -0.21 -3.70 0.14 0.00 -1.15 0.00 0.00 33.47 28.55 3nnk s TRP 121 CO 0.29 -2.50 0.30 0.20 0.02 0.00 0.00 176.95 175.25 3nnk s GLY 122 N 1.31 2.53 0.34 0.98 0.00 -1.26 -5.00 107.32 106.21 3nnk s GLY 122 Ca 0.65 -3.37 0.01 0.00 0.00 0.00 0.00 44.72 42.01 3nnk s GLY 122 CO 0.30 1.02 0.08 1.18 0.00 0.00 0.00 173.10 175.68 3nnk n GLU 123 N 2.93 1.12 -4.36 2.90 1.02 0.12 -2.43 120.64 121.94 3nnk n GLU 123 Ca 0.07 -2.38 -0.18 0.00 -0.02 0.00 0.00 57.16 54.65 3nnk n GLU 123 Cb 0.32 0.53 -0.10 0.00 -0.02 0.00 0.00 31.44 32.17 3nnk n GLU 123 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3nnk s VAL 124 N -2.08 0.78 0.03 2.62 0.11 -1.26 -4.88 120.40 115.73 3nnk s VAL 124 Ca 0.06 -2.00 -0.09 0.00 -2.93 0.00 0.00 61.98 57.02 3nnk s VAL 124 Cb -0.00 -2.68 -0.05 0.00 -1.53 0.00 0.00 36.38 32.11 3nnk s VAL 124 CO 0.04 -0.01 0.34 -0.36 -3.33 0.00 0.00 175.10 171.78 3nnk s PHE 125 N -3.59 3.60 0.18 1.54 0.08 -1.26 -4.98 117.98 113.56 3nnk s PHE 125 Ca 0.37 0.73 -0.19 0.00 0.12 0.00 0.00 56.93 57.96 3nnk s PHE 125 Cb 0.08 -2.11 -0.08 0.00 -0.57 0.00 0.00 43.02 40.35 3nnk s PHE 125 CO 0.14 0.58 0.68 0.99 -0.10 0.00 0.00 175.22 177.52 3nnk s THR 126 N -1.29 4.61 0.47 0.64 2.01 -1.26 -4.76 115.64 116.07 3nnk s THR 126 Ca 0.29 1.25 0.21 0.00 0.31 0.00 0.00 61.69 63.74 3nnk s THR 126 Cb -0.14 -3.87 0.39 0.00 0.01 0.00 0.00 72.50 68.89 3nnk s THR 126 CO 0.16 0.29 1.93 -0.65 -0.69 0.00 0.00 174.62 175.66 3nnk h PRO 127 N 3.68 0.22 -0.51 4.92 0.11 -1.96 -1.07 132.00 137.39 3nnk h PRO 127 Ca -0.48 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 3nnk h PRO 127 Cb 1.20 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3nnk h PRO 127 CO 0.65 0.15 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.08 3nnk h ASP 128 N 0.23 0.91 -0.68 -2.05 5.19 -1.98 -1.80 116.42 116.24 3nnk h ASP 128 Ca 0.36 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3nnk h ASP 128 Cb 1.07 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 3nnk h ASP 128 CO -0.08 1.01 0.32 1.56 -3.12 0.00 0.00 179.24 178.93 3nnk h GLN 129 N 0.83 0.98 0.00 3.56 4.20 -1.60 -0.07 115.11 123.03 3nnk h GLN 129 Ca 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3nnk h GLN 129 Cb 0.60 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 3nnk h GLN 129 CO 0.04 0.79 -0.04 -0.39 -0.67 0.00 0.00 178.83 178.56 3nnk h VAL 130 N 0.95 0.07 0.14 -0.54 -1.51 -1.44 -2.86 116.25 111.06 3nnk h VAL 130 Ca 0.23 -0.98 -0.25 0.00 -1.23 0.00 0.00 66.70 64.47 3nnk h VAL 130 Cb 0.14 1.92 0.03 0.00 -2.13 0.00 0.00 31.29 31.24 3nnk h VAL 130 CO -0.03 0.03 -1.07 -0.08 -1.23 0.00 0.00 177.57 175.20 3nnk h GLU 131 N 0.00 0.48 -0.95 5.19 4.81 -0.89 -2.46 114.58 120.75 3nnk h GLU 131 Ca -0.00 -0.70 0.03 0.00 -0.13 0.00 0.00 59.36 58.56 3nnk h GLU 131 Cb 0.92 0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 3nnk h GLU 131 CO 0.00 1.31 0.63 -0.44 -0.73 0.00 0.00 179.01 179.79 3nnk h ASP 132 N -0.01 1.05 -0.36 1.04 3.45 -1.05 -1.71 116.42 118.83 3nnk h ASP 132 Ca -0.17 -0.01 -0.17 0.00 0.43 0.00 0.00 57.03 57.11 3nnk h ASP 132 Cb 1.80 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 40.32 3nnk h ASP 132 CO 0.20 0.73 -0.42 0.00 -1.57 0.00 0.00 179.24 178.18 3nnk h ALA 133 N 1.44 0.54 0.00 3.45 0.00 -1.57 -2.49 119.26 120.62 3nnk h ALA 133 Ca 0.37 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3nnk h ALA 133 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3nnk h ALA 133 CO -0.11 0.67 -0.36 0.28 0.00 0.00 0.00 179.25 179.73 3nnk h VAL 134 N 0.74 1.25 -0.10 0.00 2.07 -1.22 -2.46 116.25 116.52 3nnk h VAL 134 Ca 0.05 -1.23 -0.22 0.00 0.82 0.00 0.00 66.70 66.12 3nnk h VAL 134 Cb 1.02 1.66 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3nnk h VAL 134 CO 0.10 0.35 -0.83 0.11 0.02 0.00 0.00 177.57 177.32 3nnk h LYS 135 N 0.00 0.67 0.00 1.57 1.57 -1.25 -3.36 116.57 115.77 3nnk h LYS 135 Ca -0.00 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3nnk h LYS 135 Cb 0.63 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3nnk h LYS 135 CO 0.05 1.20 0.00 0.54 -0.57 0.00 0.00 179.45 180.67 3nnk n ARG 136 N -3.89 0.00 -2.74 3.15 1.74 -0.95 -4.67 116.66 109.31 3nnk n ARG 136 Ca -0.07 0.09 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 3nnk n ARG 136 Cb 0.77 -0.90 -0.06 0.00 -1.02 0.00 0.00 32.46 31.25 3nnk n ARG 136 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3nnk s ILE 137 N -0.91 4.13 -0.72 0.55 -0.00 -0.94 -5.02 121.20 118.28 3nnk s ILE 137 Ca 0.00 1.70 -0.01 0.00 -0.00 0.00 0.00 60.65 62.33 3nnk s ILE 137 Cb 0.00 -3.91 0.18 0.00 -0.00 0.00 0.00 42.46 38.73 3nnk s ILE 137 CO 0.00 0.08 0.55 -0.60 -0.00 0.00 0.00 174.94 174.96 3nnk s ARG 138 N -2.23 2.76 0.58 0.37 6.06 -1.26 -4.14 118.95 121.09 3nnk s ARG 138 Ca 0.53 -2.88 -0.14 0.00 -2.50 0.00 0.00 55.73 50.74 3nnk s ARG 138 Cb -0.18 -3.75 -0.05 0.00 0.06 0.00 0.00 34.95 31.02 3nnk s ARG 138 CO 0.24 -1.21 1.02 -1.25 -2.50 0.00 0.00 175.30 171.59 3nnk s PRO 139 N -0.66 3.65 -0.07 5.12 0.04 -1.26 -4.88 135.00 136.94 3nnk s PRO 139 Ca 0.21 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.89 3nnk s PRO 139 Cb -0.15 -2.09 -0.22 0.00 0.04 0.00 0.00 34.50 32.08 3nnk s PRO 139 CO -0.07 -0.52 1.05 -0.09 0.04 0.00 0.00 177.00 177.40 3nnk h ARG 140 N 0.23 -0.01 -6.50 4.56 2.43 -0.66 -3.42 114.38 111.01 3nnk h ARG 140 Ca -0.45 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.03 3nnk h ARG 140 Cb 1.19 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.53 3nnk h ARG 140 CO 0.61 0.68 -0.79 -0.51 -1.51 0.00 0.00 179.97 178.45 3nnk s LEU 141 N -8.81 2.67 -0.36 3.80 2.01 -1.23 -0.39 118.68 116.38 3nnk s LEU 141 Ca -0.17 -0.36 -0.11 0.00 0.01 0.00 0.00 54.13 53.50 3nnk s LEU 141 Cb -0.00 -1.56 0.01 0.00 0.01 0.00 0.00 46.19 44.66 3nnk s LEU 141 CO 0.67 0.28 0.20 -0.22 1.01 0.00 0.00 176.35 178.29 3nnk s LEU 142 N -1.29 4.58 -0.55 1.79 2.96 0.52 -1.50 118.68 125.19 3nnk s LEU 142 Ca 0.14 -0.82 -0.14 0.00 -0.22 0.00 0.00 54.13 53.10 3nnk s LEU 142 Cb -0.11 -2.04 0.14 0.00 0.50 0.00 0.00 46.19 44.68 3nnk s LEU 142 CO 0.05 -0.33 0.48 -0.76 -1.32 0.00 0.00 176.35 174.47 3nnk s LEU 143 N 1.59 6.10 0.12 -0.68 1.43 0.11 -1.89 118.68 125.45 3nnk s LEU 143 Ca 0.03 -1.94 0.06 0.00 -1.03 0.00 0.00 54.13 51.25 3nnk s LEU 143 Cb -0.18 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 3nnk s LEU 143 CO 0.07 -0.77 0.02 0.42 0.23 0.00 0.00 176.35 176.31 3nnk s THR 144 N 1.35 3.99 -0.18 5.49 -4.23 -0.63 -3.79 115.64 117.65 3nnk s THR 144 Ca 0.06 -1.11 -0.07 0.00 -1.18 0.00 0.00 61.69 59.38 3nnk s THR 144 Cb -0.27 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 3nnk s THR 144 CO 0.01 0.03 0.06 -0.69 -0.54 0.00 0.00 174.62 173.49 3nnk s VAL 145 N -1.47 4.79 -0.00 2.29 1.01 -1.26 -0.25 120.40 125.50 3nnk s VAL 145 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 3nnk s VAL 145 Cb -0.11 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 3nnk s VAL 145 CO 0.19 0.47 0.28 -0.61 0.00 0.00 0.00 175.10 175.43 3nnk h GLN 146 N 6.62 -0.03 -5.02 2.72 4.15 -1.64 -3.41 115.11 118.50 3nnk h GLN 146 Ca -0.38 0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.40 3nnk h GLN 146 Cb 1.17 0.01 -0.23 0.00 0.21 0.00 0.00 27.48 28.63 3nnk h GLN 146 CO 0.70 -0.02 -0.65 0.20 -1.93 0.00 0.00 178.83 177.13 3nnk s GLY 147 N -1.84 1.73 -0.46 2.39 0.00 -1.26 0.38 107.32 108.26 3nnk s GLY 147 Ca -0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 44.72 43.52 3nnk s GLY 147 CO 0.01 0.42 0.34 -0.35 0.00 0.00 0.00 173.10 173.52 3nnk s ASP 148 N 1.38 5.81 0.61 1.64 -1.08 -0.48 -4.50 116.67 120.05 3nnk s ASP 148 Ca 0.05 -1.64 0.30 0.00 -0.52 0.00 0.00 52.55 50.74 3nnk s ASP 148 Cb -0.15 -2.05 1.64 0.00 -1.46 0.00 0.00 42.92 40.90 3nnk s ASP 148 CO 0.02 -0.64 2.01 0.71 0.52 0.00 0.00 175.17 177.79 3nnk h THR 149 N 6.02 0.32 0.00 1.71 1.35 -1.94 -0.27 112.91 120.10 3nnk h THR 149 Ca -0.24 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.57 3nnk h THR 149 Cb 1.09 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3nnk h THR 149 CO 0.84 0.00 -0.22 0.77 -0.25 0.00 0.00 175.52 176.66 3nnk h SER 150 N 0.00 0.00 -0.00 5.36 4.64 -1.96 -3.27 113.55 118.32 3nnk h SER 150 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3nnk h SER 150 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3nnk h SER 150 CO -0.00 0.22 -0.01 0.35 -0.87 0.00 0.00 176.83 176.52 3nnk n THR 151 N -3.25 0.00 -0.96 2.95 -2.24 -0.62 -4.94 114.28 105.22 3nnk n THR 151 Ca 0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3nnk n THR 151 Cb 0.51 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.38 0.00 -3.35 4.28 -2.24 -0.21 -4.79 114.28 107.59 3nnk n THR 152 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3nnk n THR 152 Cb 0.01 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 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 -1.61 4.02 -0.32 -0.78 -1.94 -1.21 -1.10 119.30 116.35 3nnk s MET 153 Ca 0.00 0.53 0.02 0.00 -1.71 0.00 0.00 55.69 54.53 3nnk s MET 153 Cb 0.00 -3.00 0.08 0.00 2.01 0.00 0.00 34.83 33.92 3nnk s MET 153 CO 0.00 0.51 0.01 -1.17 -0.01 0.00 0.00 175.02 174.37 3nnk s LEU 154 N -1.77 4.26 0.07 -0.03 1.98 0.74 -1.38 118.68 122.55 3nnk s LEU 154 Ca 0.36 -1.73 -0.31 0.00 -2.89 0.00 0.00 54.13 49.56 3nnk s LEU 154 Cb -0.16 -1.65 -0.08 0.00 0.66 0.00 0.00 46.19 44.96 3nnk s LEU 154 CO 0.19 -0.32 1.67 -1.58 -1.89 0.00 0.00 176.35 174.42 3nnk s GLN 155 N 1.06 4.19 0.13 1.98 2.00 0.16 -4.83 119.66 124.35 3nnk s GLN 155 Ca 0.01 2.36 -0.31 0.00 -2.00 0.00 0.00 55.36 55.42 3nnk s GLN 155 Cb -0.20 -3.62 -0.10 0.00 0.80 0.00 0.00 33.01 29.89 3nnk s GLN 155 CO -0.05 -0.75 1.74 -2.14 -0.50 0.00 0.00 175.29 173.58 3nnk s PRO 156 N 2.73 4.16 -0.00 1.67 0.02 -1.26 -4.85 135.00 137.46 3nnk s PRO 156 Ca 0.75 2.50 0.06 0.00 0.02 0.00 0.00 61.00 64.33 3nnk s PRO 156 Cb -0.40 -3.46 -0.06 0.00 0.02 0.00 0.00 34.50 30.60 3nnk s PRO 156 CO 0.33 -0.77 0.24 1.28 -0.33 0.00 0.00 177.00 177.74 3nnk n LEU 157 N 5.18 0.26 -0.04 -5.54 4.32 -1.26 -4.78 117.00 115.14 3nnk n LEU 157 Ca 0.16 -0.49 -0.09 0.00 -0.02 0.00 0.00 56.01 55.57 3nnk n LEU 157 Cb 0.38 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 3nnk n LEU 157 CO 0.64 0.07 0.91 0.00 -1.22 0.00 0.00 177.39 177.79 3nnk h ALA 158 N 0.79 0.21 -0.00 -1.18 0.00 -1.91 -3.01 119.26 114.15 3nnk h ALA 158 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3nnk h ALA 158 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3nnk h ALA 158 CO 0.00 -0.36 -0.20 0.39 0.00 0.00 0.00 179.25 179.08 3nnk n GLU 159 N -5.04 0.23 0.08 0.00 1.02 -1.26 -4.12 120.64 111.56 3nnk n GLU 159 Ca -0.03 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.93 3nnk n GLU 159 Cb 0.06 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.90 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 0.20 0.20 -0.93 -4.62 4.07 -1.84 -3.29 115.31 109.12 3nnk h LEU 160 Ca 0.00 -0.20 -0.07 0.00 0.08 0.00 0.00 57.88 57.69 3nnk h LEU 160 Cb 0.46 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 3nnk h LEU 160 CO 0.00 1.10 -0.00 1.23 -1.08 0.00 0.00 178.44 179.69 3nnk h GLY 161 N 2.20 0.84 0.99 0.83 0.00 -1.68 -1.66 103.07 104.60 3nnk h GLY 161 Ca -0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3nnk h GLY 161 CO 0.15 0.52 0.34 0.83 0.00 0.00 0.00 176.54 178.39 3nnk h GLU 162 N 0.73 0.82 -0.80 4.80 4.39 -1.79 -2.40 114.58 120.33 3nnk h GLU 162 Ca 0.14 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3nnk h GLU 162 Cb 0.45 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 3nnk h GLU 162 CO 0.02 0.61 0.44 0.82 -1.16 0.00 0.00 179.01 179.74 3nnk h ILE 163 N 0.81 1.24 0.00 3.13 2.04 -1.53 -2.77 117.51 120.42 3nnk h ILE 163 Ca 0.21 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 3nnk h ILE 163 Cb 0.01 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3nnk h ILE 163 CO -0.04 0.26 -0.44 0.00 0.00 0.00 0.00 178.15 177.93 3nnk h ARG 165 N 0.00 0.05 -0.39 0.00 2.43 -1.20 0.49 114.38 115.74 3nnk h ARG 165 Ca -0.00 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 3nnk h ARG 165 Cb 0.79 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3nnk h ARG 165 CO 0.06 0.83 -0.25 0.00 -1.51 0.00 0.00 179.97 179.10 3nnk h ARG 166 N 0.03 0.81 -0.28 0.20 3.08 -1.37 -3.19 114.38 113.66 3nnk h ARG 166 Ca -0.02 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3nnk h ARG 166 Cb 1.43 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 3nnk h ARG 166 CO 0.11 0.98 0.00 0.66 -1.07 0.00 0.00 179.97 180.65 3nnk n TYR 167 N -4.10 1.01 -3.85 3.04 4.01 -1.19 -4.98 117.16 111.10 3nnk n TYR 167 Ca -0.00 -0.89 -0.25 0.00 -0.16 0.00 0.00 57.90 56.60 3nnk n TYR 167 Cb 0.46 -0.33 0.01 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.48 -1.65 -4.88 7.72 4.64 -0.85 -4.95 116.55 116.11 3nnk n ASP 168 Ca 0.22 -0.88 -0.32 0.00 -1.38 0.00 0.00 54.79 52.42 3nnk n ASP 168 Cb 0.91 -3.63 -0.05 0.00 -1.04 0.00 0.00 41.12 37.31 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 -3.68 3.87 -0.07 -1.67 0.00 0.16 -4.91 121.76 115.48 3nnk s ALA 169 Ca 0.16 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 3nnk s ALA 169 Cb -0.08 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 3nnk s ALA 169 CO 0.85 0.76 0.61 -0.51 0.00 0.00 0.00 175.76 177.46 3nnk s LEU 170 N -2.09 4.33 -0.44 0.00 1.43 0.48 -4.46 118.68 117.92 3nnk s LEU 170 Ca 0.29 1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 54.36 3nnk s LEU 170 Cb -0.13 -2.92 0.10 0.00 0.03 0.00 0.00 46.19 43.27 3nnk s LEU 170 CO 0.21 -0.03 0.30 0.12 0.23 0.00 0.00 176.35 177.18 3nnk s PHE 171 N 0.50 3.37 -0.03 0.29 5.36 -1.26 -0.35 117.98 125.85 3nnk s PHE 171 Ca 0.32 -1.65 0.00 0.00 -0.96 0.00 0.00 56.93 54.64 3nnk s PHE 171 Cb -0.17 -3.19 -0.03 0.00 -0.34 0.00 0.00 43.02 39.29 3nnk s PHE 171 CO 0.15 -0.91 0.00 -0.47 -1.46 0.00 0.00 175.22 172.54 3nnk s TYR 172 N 1.41 3.11 0.08 10.12 6.14 -0.79 -0.58 117.35 136.83 3nnk s TYR 172 Ca 0.04 0.12 0.05 0.00 0.64 0.00 0.00 57.07 57.93 3nnk s TYR 172 Cb -0.24 -1.72 -0.03 0.00 0.42 0.00 0.00 41.96 40.39 3nnk s TYR 172 CO 0.01 0.46 -0.15 -0.08 0.64 0.00 0.00 175.55 176.43 3nnk s THR 173 N -1.00 1.19 -0.46 4.34 -1.32 -0.72 -1.60 115.64 116.06 3nnk s THR 173 Ca 0.17 -1.39 -0.16 0.00 -1.21 0.00 0.00 61.69 59.10 3nnk s THR 173 Cb -0.11 -1.18 0.06 0.00 -1.51 0.00 0.00 72.50 69.75 3nnk s THR 173 CO 0.07 -0.24 0.43 -0.62 -2.21 0.00 0.00 174.62 172.04 3nnk s ASP 174 N -1.86 6.16 -0.20 8.08 2.15 0.65 -2.65 116.67 129.00 3nnk s ASP 174 Ca 0.00 -1.12 0.15 0.00 0.43 0.00 0.00 52.55 52.02 3nnk s ASP 174 Cb -0.09 -2.20 0.51 0.00 -0.30 0.00 0.00 42.92 40.83 3nnk s ASP 174 CO 0.02 -0.66 1.41 0.00 -0.17 0.00 0.00 175.17 175.78 3nnk n ALA 175 N 5.42 3.20 -0.35 3.66 0.00 0.22 -1.65 120.51 131.01 3nnk n ALA 175 Ca -0.11 -2.50 -0.02 0.00 0.00 0.00 0.00 53.44 50.81 3nnk n ALA 175 Cb 0.45 -0.70 0.11 0.00 0.00 0.00 0.00 19.45 19.31 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 1.48 1.26 0.00 0.00 1.35 -1.84 -1.29 112.91 113.87 3nnk h THR 176 Ca 0.05 -0.52 -0.13 0.00 -0.55 0.00 0.00 66.41 65.26 3nnk h THR 176 Cb 1.46 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 3nnk h THR 176 CO 0.24 0.26 -0.63 0.00 -0.25 0.00 0.00 175.52 175.14 3nnk h ALA 177 N 1.35 0.64 0.00 6.62 0.00 -1.84 -3.38 119.26 122.65 3nnk h ALA 177 Ca 0.35 -0.57 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 3nnk h ALA 177 Cb -0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3nnk h ALA 177 CO -0.07 0.79 -1.98 -1.13 0.00 0.00 0.00 179.25 176.86 3nnk n SER 178 N -3.32 1.60 -4.67 0.00 3.41 -1.02 -4.64 113.62 104.97 3nnk n SER 178 Ca 0.01 -0.01 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 3nnk n SER 178 Cb 0.76 0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 65.43 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 -2.57 3.08 0.00 1.04 7.94 -0.52 -1.43 117.00 124.54 3nnk n LEU 179 Ca -0.24 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 3nnk n LEU 179 Cb 0.95 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.48 3nnk n LEU 179 CO 0.29 -0.52 0.00 0.61 -1.11 0.00 0.00 177.39 176.66 3nnk n GLY 180 N 2.05 2.99 0.09 -3.96 0.00 -1.26 -4.35 105.19 100.75 3nnk n GLY 180 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.20 -0.18 3.21 -0.02 0.00 -0.83 -3.92 105.19 102.25 3nnk n GLY 181 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3nnk n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nnk s ASN 182 N -0.90 -0.05 0.16 1.61 0.01 -0.51 -4.58 114.94 110.68 3nnk s ASN 182 Ca 0.03 -0.23 -0.32 0.00 -0.71 0.00 0.00 52.86 51.64 3nnk s ASN 182 Cb 0.03 0.31 -0.10 0.00 0.41 0.00 0.00 41.25 41.90 3nnk s ASN 182 CO 0.11 -0.54 1.60 -2.84 -1.51 0.00 0.00 177.10 173.92 3nnk s PRO 183 N -2.26 4.20 -0.26 -0.60 0.02 -1.26 -4.67 135.00 130.17 3nnk s PRO 183 Ca -0.07 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.30 3nnk s PRO 183 Cb -0.02 -3.19 0.10 0.00 0.02 0.00 0.00 34.50 31.41 3nnk s PRO 183 CO -0.02 -0.64 0.16 -1.17 -0.33 0.00 0.00 177.00 175.01 3nnk s LEU 184 N 1.30 0.28 -0.59 -5.54 2.96 -1.26 -5.03 118.68 110.80 3nnk s LEU 184 Ca 0.71 -0.93 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 3nnk s LEU 184 Cb -0.44 -0.09 0.15 0.00 0.50 0.00 0.00 46.19 46.31 3nnk s LEU 184 CO 0.31 -0.40 0.53 -1.61 -1.32 0.00 0.00 176.35 173.87 3nnk s GLU 185 N 2.18 3.04 0.10 1.98 0.41 -1.26 -4.47 118.70 120.68 3nnk s GLU 185 Ca 0.07 -1.91 -0.27 0.00 -0.41 0.00 0.00 54.97 52.46 3nnk s GLU 185 Cb -0.16 -4.26 -0.10 0.00 -1.78 0.00 0.00 34.13 27.83 3nnk s GLU 185 CO -0.28 -1.30 1.66 1.15 -0.49 0.00 0.00 175.26 176.00 3nnk h THR 186 N 5.67 0.53 -0.00 3.63 2.02 -1.47 -2.53 112.91 120.75 3nnk h THR 186 Ca -0.19 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 3nnk h THR 186 Cb 1.08 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3nnk h THR 186 CO 0.94 0.00 -0.38 0.44 0.37 0.00 0.00 175.52 176.89 3nnk h ASP 187 N -0.43 0.34 -0.09 4.18 5.19 -1.82 -0.34 116.42 123.44 3nnk h ASP 187 Ca 0.01 -0.77 -0.01 0.00 -0.62 0.00 0.00 57.03 55.64 3nnk h ASP 187 Cb 0.42 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 3nnk h ASP 187 CO -0.08 1.06 0.04 -0.37 -3.12 0.00 0.00 179.24 176.78 3nnk h VAL 188 N -0.36 1.06 -0.25 -1.35 -1.51 -1.84 -2.21 116.25 109.80 3nnk h VAL 188 Ca -0.05 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 3nnk h VAL 188 Cb 1.12 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3nnk h VAL 188 CO 0.08 0.07 0.00 0.79 -1.23 0.00 0.00 177.57 177.27 3nnk n TRP 189 N -4.48 0.31 -2.55 5.19 8.01 -0.95 -4.96 117.44 118.00 3nnk n TRP 189 Ca -0.01 -0.16 -0.12 0.00 -1.31 0.00 0.00 57.50 55.90 3nnk n TRP 189 Cb 0.11 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.43 3nnk n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3nnk n GLY 190 N 1.34 -0.03 3.74 6.99 0.00 -0.83 -3.44 105.19 112.96 3nnk n GLY 190 Ca 0.18 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.80 4.52 -0.20 0.99 1.43 -0.16 -4.69 118.68 116.77 3nnk s LEU 191 Ca 0.12 2.10 0.11 0.00 -1.03 0.00 0.00 54.13 55.43 3nnk s LEU 191 Cb -0.05 -3.61 -0.22 0.00 0.03 0.00 0.00 46.19 42.33 3nnk s LEU 191 CO 0.15 -0.15 0.05 0.47 0.23 0.00 0.00 176.35 177.10 3nnk n ASP 192 N 2.05 0.79 -3.73 2.29 8.00 0.25 -4.66 116.55 121.54 3nnk n ASP 192 Ca 0.01 0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 3nnk n ASP 192 Cb 0.46 0.37 -0.13 0.00 -0.02 0.00 0.00 41.12 41.80 3nnk n ASP 192 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nnk s ALA 193 N -2.51 -0.54 -0.04 2.24 0.00 -1.10 -0.09 121.76 119.72 3nnk s ALA 193 Ca -0.18 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.79 3nnk s ALA 193 Cb 0.07 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 3nnk s ALA 193 CO 0.76 -0.19 -0.17 0.08 0.00 0.00 0.00 175.76 176.23 3nnk s VAL 194 N 1.21 1.45 0.03 0.00 1.01 -0.71 -1.76 120.40 121.63 3nnk s VAL 194 Ca -0.09 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3nnk s VAL 194 Cb -0.10 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3nnk s VAL 194 CO -0.08 0.42 -0.24 -0.94 0.00 0.00 0.00 175.10 174.25 3nnk s SER 195 N -0.01 2.89 0.06 3.32 1.04 -1.09 -1.57 113.70 118.36 3nnk s SER 195 Ca -0.03 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.88 3nnk s SER 195 Cb -0.11 -0.27 -0.00 0.00 0.10 0.00 0.00 66.02 65.73 3nnk s SER 195 CO 0.02 0.24 0.03 0.00 0.98 0.00 0.00 173.24 174.52 3nnk n ALA 196 N 1.99 0.10 -3.72 5.32 0.00 -0.04 -0.61 120.51 123.56 3nnk n ALA 196 Ca -0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 3nnk n ALA 196 Cb 0.52 0.24 -0.04 0.00 0.00 0.00 0.00 19.45 20.17 3nnk n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nnk n GLY 197 N 1.09 3.30 0.06 0.00 0.00 -1.26 -3.95 105.19 104.43 3nnk n GLY 197 Ca -0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 3nnk n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3nnk n MET 198 N -0.36 1.78 -0.69 1.61 0.00 -1.26 -4.77 117.12 113.43 3nnk n MET 198 Ca 0.04 0.01 -0.08 0.00 0.00 0.00 0.00 57.70 57.67 3nnk n MET 198 Cb 0.35 -1.29 0.02 0.00 0.00 0.00 0.00 33.22 32.30 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 -2.52 1.40 0.00 0.03 0.00 -1.22 -0.96 117.38 114.11 3nnk n GLN 199 Ca -0.20 -0.78 0.00 0.00 0.00 0.00 0.00 57.00 56.02 3nnk n GLN 199 Cb 0.85 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.78 3nnk n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3nnk h LEU 202 N 0.00 0.00 -1.55 0.00 4.07 -1.80 -3.32 115.31 112.71 3nnk h LEU 202 Ca 0.00 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.42 3nnk h LEU 202 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3nnk h LEU 202 CO 0.00 1.08 0.00 0.61 -1.08 0.00 0.00 178.44 179.05 3nnk n GLY 203 N 1.57 0.81 0.00 0.83 0.00 -0.13 -4.80 105.19 103.47 3nnk n GLY 203 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3nnk n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nnk n GLY 204 N -0.77 0.75 3.86 -0.02 0.00 -1.26 -0.39 105.19 107.35 3nnk n GLY 204 Ca 0.00 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 3nnk n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nnk s PRO 205 N -0.28 3.87 0.59 1.61 0.04 -1.26 -3.45 135.00 136.12 3nnk s PRO 205 Ca 0.00 0.39 -0.18 0.00 0.04 0.00 0.00 61.00 61.25 3nnk s PRO 205 Cb 0.00 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 3nnk s PRO 205 CO 0.00 0.30 1.13 -1.54 0.04 0.00 0.00 177.00 176.93 3nnk s SER 206 N -2.27 5.44 0.00 6.66 1.04 -1.26 -4.53 113.70 118.78 3nnk s SER 206 Ca 0.48 2.12 0.00 0.00 0.48 0.00 0.00 55.95 59.03 3nnk s SER 206 Cb -0.11 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.44 3nnk s SER 206 CO 0.20 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.62 3nnk n GLY 207 N -0.08 0.00 3.06 7.32 0.00 -1.26 -4.97 105.19 109.27 3nnk n GLY 207 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3nnk n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nnk s THR 208 N -0.02 0.54 -0.29 2.61 2.01 -0.87 -2.27 115.64 117.35 3nnk s THR 208 Ca 0.00 -1.07 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 3nnk s THR 208 Cb 0.00 -0.61 0.09 0.00 0.01 0.00 0.00 72.50 72.00 3nnk s THR 208 CO 0.00 -0.37 0.09 -0.55 -0.69 0.00 0.00 174.62 173.10 3nnk s SER 209 N -1.56 3.82 0.26 3.53 0.15 -0.54 -4.02 113.70 115.35 3nnk s SER 209 Ca -0.10 -1.48 -0.30 0.00 0.70 0.00 0.00 55.95 54.77 3nnk s SER 209 Cb -0.10 -0.75 -0.10 0.00 -1.71 0.00 0.00 66.02 63.36 3nnk s SER 209 CO 0.00 -0.41 1.41 -2.84 1.20 0.00 0.00 173.24 172.61 3nnk s PRO 210 N 1.72 4.28 0.07 5.44 0.02 -1.25 -0.80 135.00 144.48 3nnk s PRO 210 Ca 0.08 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.40 3nnk s PRO 210 Cb -0.17 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 3nnk s PRO 210 CO -0.25 -0.38 -0.07 0.96 -0.33 0.00 0.00 177.00 176.93 3nnk s ILE 211 N -0.20 0.60 -0.01 2.83 -4.36 -0.62 -0.86 121.20 118.58 3nnk s ILE 211 Ca 0.57 -1.50 0.01 0.00 -0.26 0.00 0.00 60.65 59.47 3nnk s ILE 211 Cb -0.41 -1.14 0.01 0.00 1.25 0.00 0.00 42.46 42.17 3nnk s ILE 211 CO 0.45 -0.63 -0.01 0.28 0.24 0.00 0.00 174.94 175.26 3nnk s THR 212 N -2.51 0.17 -0.07 8.37 -1.32 -0.61 -1.33 115.64 118.33 3nnk s THR 212 Ca 0.01 -0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.49 3nnk s THR 212 Cb -0.02 -0.18 -0.00 0.00 -1.51 0.00 0.00 72.50 70.79 3nnk s THR 212 CO -0.02 0.07 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.50 3nnk s LEU 213 N 0.25 1.96 0.79 9.08 1.43 -0.13 -1.74 118.68 130.32 3nnk s LEU 213 Ca -0.02 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 3nnk s LEU 213 Cb -0.04 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 45.04 3nnk s LEU 213 CO -0.01 0.15 1.12 -0.94 0.23 0.00 0.00 176.35 176.90 3nnk s SER 214 N 0.24 4.61 0.32 2.29 1.04 0.88 -4.22 113.70 118.86 3nnk s SER 214 Ca -0.12 1.13 0.03 0.00 0.48 0.00 0.00 55.95 57.47 3nnk s SER 214 Cb -0.15 -1.82 0.62 0.00 0.10 0.00 0.00 66.02 64.77 3nnk s SER 214 CO 0.06 -1.87 1.91 0.00 0.98 0.00 0.00 173.24 174.31 3nnk h ALA 215 N -1.02 1.60 -0.30 5.32 0.00 -1.95 0.14 119.26 123.04 3nnk h ALA 215 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3nnk h ALA 215 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3nnk h ALA 215 CO 0.62 0.24 0.14 0.00 0.00 0.00 0.00 179.25 180.25 3nnk h ARG 216 N 0.92 0.44 -0.52 0.00 3.08 -1.94 -2.83 114.38 113.52 3nnk h ARG 216 Ca 0.39 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 3nnk h ARG 216 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3nnk h ARG 216 CO -0.16 0.42 0.05 0.52 -1.07 0.00 0.00 179.97 179.73 3nnk h MET 217 N 0.35 0.85 0.00 0.04 2.86 -1.57 -2.95 114.93 114.50 3nnk h MET 217 Ca 0.10 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3nnk h MET 217 Cb 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3nnk h MET 217 CO -0.01 0.82 -0.39 1.05 1.06 0.00 0.00 176.91 179.44 3nnk h GLU 218 N 0.80 0.00 -0.29 1.72 4.11 -0.73 -2.98 114.58 117.21 3nnk h GLU 218 Ca 0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.51 3nnk h GLU 218 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3nnk h GLU 218 CO 0.01 0.39 -0.14 1.49 0.07 0.00 0.00 179.01 180.83 3nnk h GLU 219 N 0.00 0.62 -0.53 1.06 4.81 -1.33 -1.62 114.58 117.58 3nnk h GLU 219 Ca -0.00 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3nnk h GLU 219 Cb 0.76 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 3nnk h GLU 219 CO 0.05 0.85 0.35 0.00 -0.73 0.00 0.00 179.01 179.53 3nnk h ALA 220 N 0.75 1.73 0.07 2.92 0.00 -1.44 -2.25 119.26 121.04 3nnk h ALA 220 Ca 0.07 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 3nnk h ALA 220 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3nnk h ALA 220 CO 0.04 0.22 -1.16 0.82 0.00 0.00 0.00 179.25 179.17 3nnk h ILE 221 N 0.62 1.57 0.00 0.00 2.04 -1.44 -3.25 117.51 117.05 3nnk h ILE 221 Ca 0.21 -3.21 -0.02 0.00 1.00 0.00 0.00 64.86 62.84 3nnk h ILE 221 Cb 0.07 2.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3nnk h ILE 221 CO -0.05 0.92 -0.09 0.03 0.00 0.00 0.00 178.15 178.96 3nnk h ARG 222 N 0.04 0.00 0.00 2.37 -0.00 -0.82 -1.28 114.38 114.68 3nnk h ARG 222 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.39 3nnk h ARG 222 Cb 1.88 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.85 3nnk h ARG 222 CO 0.17 0.09 0.00 0.00 0.00 0.00 0.00 179.97 180.23 3nnk h ARG 223 N 0.00 0.00 -0.05 0.04 3.08 -1.45 -3.08 114.38 112.92 3nnk h ARG 223 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nnk h ARG 223 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3nnk h ARG 223 CO 0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 3nnk n ARG 224 N -2.65 2.29 -1.68 0.04 5.12 -0.50 -1.04 116.66 118.24 3nnk n ARG 224 Ca 0.02 -1.88 -0.55 0.00 -1.93 0.00 0.00 57.85 53.52 3nnk n ARG 224 Cb 0.32 -1.46 -0.06 0.00 -1.16 0.00 0.00 32.46 30.10 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 1.27 1.34 -3.30 5.56 4.81 -1.14 -4.12 118.16 122.58 3nnk n LYS 225 Ca 0.15 0.49 -0.07 0.00 -0.87 0.00 0.00 58.31 58.00 3nnk n LYS 225 Cb 0.58 -2.19 -0.06 0.00 0.02 0.00 0.00 35.03 33.38 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 2.59 4.47 0.18 0.00 1.01 -1.26 -4.95 120.40 122.43 3nnk s VAL 227 Ca 0.12 1.92 -0.33 0.00 0.00 0.00 0.00 61.98 63.69 3nnk s VAL 227 Cb -0.14 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.86 3nnk s VAL 227 CO -0.23 0.39 1.58 1.21 0.00 0.00 0.00 175.10 178.04 3nnk n GLU 228 N 2.43 2.23 -0.31 2.72 0.00 -1.26 -4.73 120.64 121.71 3nnk n GLU 228 Ca -0.01 0.80 0.17 0.00 0.00 0.00 0.00 57.16 58.12 3nnk n GLU 228 Cb 0.49 -2.57 0.36 0.00 0.00 0.00 0.00 31.44 29.71 3nnk n GLU 228 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3nnk h GLU 229 N 5.82 0.27 0.00 5.31 4.81 -1.94 -0.76 114.58 128.08 3nnk h GLU 229 Ca -0.45 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 3nnk h GLU 229 Cb 1.25 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3nnk h GLU 229 CO 0.88 0.18 -0.15 0.78 -0.73 0.00 0.00 179.01 179.97 3nnk h GLY 230 N 0.28 0.00 -0.32 1.92 0.00 -2.01 -2.94 103.07 99.99 3nnk h GLY 230 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 3nnk h GLY 230 CO -0.62 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.21 3nnk n ILE 231 N -3.60 1.31 -2.75 2.60 -5.35 -0.40 -5.02 119.36 106.14 3nnk n ILE 231 Ca -0.01 -1.37 -0.42 0.00 -0.27 0.00 0.00 62.75 60.69 3nnk n ILE 231 Cb 0.29 0.27 -0.04 0.00 -1.74 0.00 0.00 39.64 38.42 3nnk n ILE 231 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3nnk s ARG 232 N -1.58 4.58 0.53 6.28 3.52 -0.57 -4.92 118.95 126.79 3nnk s ARG 232 Ca 0.14 1.37 0.06 0.00 -0.13 0.00 0.00 55.73 57.17 3nnk s ARG 232 Cb 0.11 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 30.10 3nnk s ARG 232 CO 0.04 0.03 0.41 0.95 -0.81 0.00 0.00 175.30 175.92 3nnk s THR 233 N 0.72 1.74 0.32 4.11 -4.23 -1.26 -5.01 115.64 112.04 3nnk s THR 233 Ca 0.49 -1.47 0.37 0.00 -1.18 0.00 0.00 61.69 59.90 3nnk s THR 233 Cb -0.21 -2.22 0.41 0.00 1.34 0.00 0.00 72.50 71.82 3nnk s THR 233 CO 0.27 0.00 2.13 0.44 -0.54 0.00 0.00 174.62 176.92 3nnk h ASP 234 N 0.77 0.00 -0.26 3.99 3.32 -2.03 -2.95 116.42 119.26 3nnk h ASP 234 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3nnk h ASP 234 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3nnk h ASP 234 CO 0.57 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 178.10 3nnk n ALA 235 N -2.10 2.46 -2.65 3.45 0.00 -1.26 -4.91 120.51 115.51 3nnk n ALA 235 Ca -0.01 -0.79 -0.37 0.00 0.00 0.00 0.00 53.44 52.27 3nnk n ALA 235 Cb 0.22 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.67 3.60 0.03 0.00 3.76 -1.12 -5.10 115.29 114.81 3nnk s HIS 236 Ca 0.35 0.79 0.01 0.00 -0.15 0.00 0.00 55.06 56.06 3nnk s HIS 236 Cb 0.21 -2.28 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 3nnk s HIS 236 CO 0.30 0.49 -0.05 -0.98 -0.85 0.00 0.00 174.74 173.65 3nnk s ARG 237 N -0.42 0.43 0.73 1.40 1.70 -1.26 -4.91 118.95 116.62 3nnk s ARG 237 Ca 0.20 -0.73 -0.11 0.00 -0.47 0.00 0.00 55.73 54.62 3nnk s ARG 237 Cb -0.15 -0.04 0.03 0.00 -0.57 0.00 0.00 34.95 34.22 3nnk s ARG 237 CO 0.09 -0.02 1.08 -0.51 -1.08 0.00 0.00 175.30 174.86 3nnk s ASP 238 N -1.65 5.13 0.91 -2.89 1.11 -1.26 -4.81 116.67 113.21 3nnk s ASP 238 Ca -0.11 1.42 -0.11 0.00 0.18 0.00 0.00 52.55 53.93 3nnk s ASP 238 Cb -0.08 -2.25 0.20 0.00 1.07 0.00 0.00 42.92 41.85 3nnk s ASP 238 CO -0.01 -1.58 1.24 -0.83 1.18 0.00 0.00 175.17 175.17 3nnk s GLY 239 N -3.94 1.80 0.43 0.21 0.00 -0.58 -4.92 107.32 100.31 3nnk s GLY 239 Ca 0.59 -1.52 0.23 0.00 0.00 0.00 0.00 44.72 44.01 3nnk s GLY 239 CO 0.54 -0.76 1.81 -0.55 0.00 0.00 0.00 173.10 174.14 3nnk h ASP 240 N -1.36 0.00 -1.72 1.64 5.19 -1.69 -3.46 116.42 115.03 3nnk h ASP 240 Ca -0.41 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.45 3nnk h ASP 240 Cb 1.23 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.66 3nnk h ASP 240 CO 0.34 0.25 -0.51 -1.61 -3.12 0.00 0.00 179.24 174.59 3nnk s GLU 241 N -3.65 2.30 0.66 3.56 2.02 -0.21 -5.07 118.70 118.32 3nnk s GLU 241 Ca 0.00 -1.69 -0.18 0.00 0.02 0.00 0.00 54.97 53.13 3nnk s GLU 241 Cb 0.10 -2.09 -0.00 0.00 0.10 0.00 0.00 34.13 32.24 3nnk s GLU 241 CO 0.65 -0.02 1.28 -1.83 0.02 0.00 0.00 175.26 175.36 3nnk s GLU 242 N -3.89 2.48 0.95 1.61 -1.05 -1.26 -4.50 118.70 113.03 3nnk s GLU 242 Ca 0.40 2.02 -0.11 0.00 -0.15 0.00 0.00 54.97 57.14 3nnk s GLU 242 Cb 0.00 -1.84 0.16 0.00 -0.44 0.00 0.00 34.13 32.02 3nnk s GLU 242 CO 0.23 -1.64 1.12 0.00 0.95 0.00 0.00 175.26 175.91 3nnk s MET 243 N -3.45 0.77 -0.04 -4.83 0.23 -1.26 -4.67 119.30 106.05 3nnk s MET 243 Ca 0.81 1.34 -0.30 0.00 -1.03 0.00 0.00 55.69 56.51 3nnk s MET 243 Cb -0.36 -1.71 -0.02 0.00 -1.53 0.00 0.00 34.83 31.20 3nnk s MET 243 CO 0.40 -2.73 1.00 0.42 -2.03 0.00 0.00 175.02 172.08 3nnk s ILE 244 N -2.65 4.82 -1.16 3.16 1.01 -1.26 -4.95 121.20 120.17 3nnk s ILE 244 Ca 0.66 2.04 -0.08 0.00 0.00 0.00 0.00 60.65 63.28 3nnk s ILE 244 Cb -0.22 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.87 3nnk s ILE 244 CO 0.59 0.10 2.94 -1.22 0.00 0.00 0.00 174.94 177.34 3nnk n TYR 245 N 4.34 1.95 -3.64 3.97 4.01 -1.26 -4.67 117.16 121.86 3nnk n TYR 245 Ca 0.07 -2.65 -0.06 0.00 -0.16 0.00 0.00 57.90 55.11 3nnk n TYR 245 Cb 0.50 -2.08 -0.07 0.00 -0.31 0.00 0.00 39.34 37.38 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 1.56 -0.29 -0.04 7.72 0.15 -1.26 -5.04 113.70 116.51 3nnk s SER 246 Ca 0.65 0.54 -0.14 0.00 0.70 0.00 0.00 55.95 57.70 3nnk s SER 246 Cb 0.22 0.63 -0.32 0.00 -1.71 0.00 0.00 66.02 64.85 3nnk s SER 246 CO -0.07 -0.09 0.75 -1.13 1.20 0.00 0.00 173.24 173.90 3nnk h ASN 247 N 4.03 0.64 -0.01 5.45 -1.24 -1.97 -3.20 115.58 119.29 3nnk h ASN 247 Ca -0.28 -0.93 -0.15 0.00 0.71 0.00 0.00 56.30 55.65 3nnk h ASN 247 Cb 1.18 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 3nnk h ASN 247 CO 0.15 1.72 -0.51 0.22 -1.29 0.00 0.00 177.43 177.72 3nnk h TYR 248 N 0.03 0.71 -0.52 0.67 3.20 -1.97 -3.24 116.97 115.86 3nnk h TYR 248 Ca -0.30 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.33 3nnk h TYR 248 Cb 2.05 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 40.18 3nnk h TYR 248 CO 0.12 0.97 0.00 1.19 -1.64 0.00 0.00 178.16 178.80 3nnk n PHE 249 N -3.98 0.67 -1.90 -3.82 3.72 -1.26 -4.85 117.46 106.05 3nnk n PHE 249 Ca -0.03 -0.34 -0.34 0.00 -0.05 0.00 0.00 57.45 56.69 3nnk n PHE 249 Cb 0.58 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.30 4.96 0.56 4.37 -1.08 -1.21 -4.58 116.67 118.40 3nnk s ASP 250 Ca 0.42 0.29 0.35 0.00 -0.52 0.00 0.00 52.55 53.09 3nnk s ASP 250 Cb 0.24 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.66 3nnk s ASP 250 CO 0.32 -2.67 2.03 -0.07 0.52 0.00 0.00 175.17 175.30 3nnk h LEU 251 N 17.85 0.00 -0.30 -1.34 3.38 -1.89 -2.46 115.31 130.55 3nnk h LEU 251 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3nnk h LEU 251 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3nnk h LEU 251 CO 1.19 0.00 0.20 1.23 0.09 0.00 0.00 178.44 181.15 3nnk h GLY 252 N 1.81 0.43 1.49 0.83 0.00 -1.88 0.15 103.07 105.90 3nnk h GLY 252 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 3nnk h GLY 252 CO 0.00 0.16 -0.34 -0.33 0.00 0.00 0.00 176.54 176.03 3nnk h MET 253 N 0.41 0.57 -0.31 4.80 2.86 -1.82 -1.66 114.93 119.78 3nnk h MET 253 Ca 0.11 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 3nnk h MET 253 Cb -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3nnk h MET 253 CO -0.02 0.84 0.08 0.28 1.06 0.00 0.00 176.91 179.14 3nnk h VAL 254 N 0.49 1.21 -0.71 -2.22 2.07 -1.28 -1.46 116.25 114.34 3nnk h VAL 254 Ca 0.05 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 66.95 3nnk h VAL 254 Cb 0.82 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 3nnk h VAL 254 CO 0.07 0.24 0.38 0.24 0.02 0.00 0.00 177.57 178.51 3nnk h MET 255 N 0.34 0.64 0.00 1.57 2.86 -0.58 -1.62 114.93 118.13 3nnk h MET 255 Ca 0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3nnk h MET 255 Cb 0.28 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3nnk h MET 255 CO -0.00 0.42 0.00 -0.44 1.06 0.00 0.00 176.91 177.95 3nnk h ASP 256 N 0.66 0.00 0.15 1.22 3.32 -0.96 0.21 116.42 121.01 3nnk h ASP 256 Ca 0.34 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.10 3nnk h ASP 256 Cb 0.31 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.88 3nnk h ASP 256 CO -0.24 0.00 -1.20 0.22 -1.72 0.00 0.00 179.24 176.30 3nnk h TYR 257 N 0.00 0.98 0.00 4.55 3.20 -0.35 -0.49 116.97 124.86 3nnk h TYR 257 Ca 0.00 -0.60 0.00 0.00 3.14 0.00 0.00 58.73 61.27 3nnk h TYR 257 Cb 0.41 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3nnk h TYR 257 CO 0.00 1.44 -0.33 -1.49 -1.64 0.00 0.00 178.16 176.15 3nnk h TRP 258 N 0.28 0.00 -3.38 -3.82 4.06 -0.83 -3.38 115.95 108.89 3nnk h TRP 258 Ca -0.17 0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.32 3nnk h TRP 258 Cb 1.87 0.00 0.12 0.00 -1.00 0.00 0.00 29.16 30.15 3nnk h TRP 258 CO 0.11 0.00 0.28 0.20 -3.56 0.00 0.00 178.44 175.47 3nnk s GLY 259 N -3.78 1.75 0.51 1.49 0.00 0.68 -4.94 107.32 103.04 3nnk s GLY 259 Ca 0.07 -1.31 0.31 0.00 0.00 0.00 0.00 44.72 43.79 3nnk s GLY 259 CO 0.67 -0.68 1.85 -0.56 0.00 0.00 0.00 173.10 174.38 3nnk h PRO 260 N -1.07 0.08 -0.08 2.90 0.13 -1.89 -1.74 132.00 130.33 3nnk h PRO 260 Ca -0.42 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 3nnk h PRO 260 Cb 1.26 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3nnk h PRO 260 CO 0.44 0.05 -0.18 1.49 -0.23 0.00 0.00 178.00 179.57 3nnk h GLU 261 N 0.08 0.13 -6.25 0.86 4.81 -1.92 -3.47 114.58 108.82 3nnk h GLU 261 Ca 0.49 -0.03 -0.47 0.00 -0.13 0.00 0.00 59.36 59.23 3nnk h GLU 261 Cb 1.82 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.17 3nnk h GLU 261 CO -0.06 0.32 -0.75 0.54 -0.73 0.00 0.00 179.01 178.33 3nnk n ARG 262 N -4.26 -5.77 -1.69 1.92 5.12 -0.66 -4.89 116.66 106.43 3nnk n ARG 262 Ca -0.01 0.62 -0.44 0.00 -1.93 0.00 0.00 57.85 56.09 3nnk n ARG 262 Cb 0.28 -5.52 -0.03 0.00 -1.16 0.00 0.00 32.46 26.02 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 -4.71 3.85 -3.81 0.55 -0.00 -0.24 -4.87 117.00 107.77 3nnk n LEU 263 Ca 0.03 0.99 -0.42 0.00 -0.00 0.00 0.00 56.01 56.61 3nnk n LEU 263 Cb 0.53 -1.51 -0.02 0.00 -0.00 0.00 0.00 43.42 42.42 3nnk n LEU 263 CO 0.74 0.09 2.35 -3.20 -0.00 0.00 0.00 177.39 177.38 3nnk n ASN 264 N 5.56 3.43 -0.02 1.96 2.85 -1.26 -3.93 115.26 123.85 3nnk n ASN 264 Ca 0.19 -2.78 -0.17 0.00 -0.11 0.00 0.00 54.58 51.71 3nnk n ASN 264 Cb 0.35 -1.47 -0.09 0.00 1.24 0.00 0.00 39.78 39.81 3nnk n ASN 264 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3nnk h HIS 265 N 7.03 0.75 -2.31 1.20 -0.00 -1.89 -3.48 115.15 116.45 3nnk h HIS 265 Ca 0.49 -0.35 0.15 0.00 -0.00 0.00 0.00 60.37 60.65 3nnk h HIS 265 Cb 0.69 -0.11 -0.11 0.00 -0.00 0.00 0.00 27.41 27.88 3nnk h HIS 265 CO 1.36 1.15 0.49 -3.38 -0.00 0.00 0.00 177.93 177.55 3nnk s HIS 266 N -3.56 -0.23 -0.27 5.26 -3.43 -1.26 -5.06 115.29 106.75 3nnk s HIS 266 Ca -0.12 -0.00 -0.27 0.00 -0.80 0.00 0.00 55.06 53.86 3nnk s HIS 266 Cb 0.06 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 31.81 3nnk s HIS 266 CO 0.84 -0.70 0.96 0.99 -2.00 0.00 0.00 174.74 174.84 3nnk s THR 267 N -3.21 4.69 0.38 -5.38 2.01 -1.26 -5.01 115.64 107.86 3nnk s THR 267 Ca 0.09 1.73 -0.27 0.00 0.31 0.00 0.00 61.69 63.55 3nnk s THR 267 Cb -0.01 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 3nnk s THR 267 CO -0.03 -0.24 1.40 -0.70 -0.69 0.00 0.00 174.62 174.37 3nnk s GLU 268 N 3.19 4.07 -0.94 4.92 2.56 -1.26 -4.88 118.70 126.35 3nnk s GLU 268 Ca 0.41 2.40 -0.24 0.00 0.00 0.00 0.00 54.97 57.53 3nnk s GLU 268 Cb -0.14 -2.90 -0.05 0.00 2.00 0.00 0.00 34.13 33.04 3nnk s GLU 268 CO 0.09 -0.50 1.92 0.00 -0.56 0.00 0.00 175.26 176.22 3nnk s ALA 269 N -1.16 1.74 0.19 6.30 0.00 -1.26 -4.84 121.76 122.73 3nnk s ALA 269 Ca 0.54 -1.63 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 3nnk s ALA 269 Cb -0.43 -4.57 0.18 0.00 0.00 0.00 0.00 23.12 18.30 3nnk s ALA 269 CO 0.57 -4.80 1.63 1.15 0.00 0.00 0.00 175.76 174.31 3nnk h THR 270 N 7.10 0.37 -0.10 0.00 2.02 -1.97 0.26 112.91 120.60 3nnk h THR 270 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3nnk h THR 270 Cb 1.00 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3nnk h THR 270 CO 1.22 0.00 0.01 0.74 0.37 0.00 0.00 175.52 177.86 3nnk h THR 271 N -0.05 1.24 -0.07 3.16 2.02 -1.91 -1.20 112.91 116.10 3nnk h THR 271 Ca 0.26 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 3nnk h THR 271 Cb 0.45 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3nnk h THR 271 CO -0.59 0.21 -0.08 0.00 0.37 0.00 0.00 175.52 175.43 3nnk h ALA 272 N 0.76 1.74 -0.17 6.16 0.00 -1.81 0.07 119.26 126.02 3nnk h ALA 272 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3nnk h ALA 272 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3nnk h ALA 272 CO 0.00 0.19 -0.02 1.25 0.00 0.00 0.00 179.25 180.68 3nnk h LEU 273 N 0.09 0.30 -0.83 0.00 6.46 -0.31 0.63 115.31 121.66 3nnk h LEU 273 Ca 0.02 -0.34 0.09 0.00 -0.12 0.00 0.00 57.88 57.53 3nnk h LEU 273 Cb 0.21 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 39.99 3nnk h LEU 273 CO 0.01 0.57 0.48 -0.26 -0.62 0.00 0.00 178.44 178.62 3nnk h PHE 274 N 0.03 0.88 0.29 1.25 0.04 -0.50 0.56 116.94 119.49 3nnk h PHE 274 Ca 0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3nnk h PHE 274 Cb 0.43 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3nnk h PHE 274 CO 0.04 0.38 -0.14 0.78 -0.60 0.00 0.00 178.31 178.77 3nnk h GLY 275 N 0.82 -0.40 0.88 -1.45 0.00 -0.90 -2.83 103.07 99.19 3nnk h GLY 275 Ca 0.39 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.90 3nnk h GLY 275 CO -0.23 -0.15 0.47 0.00 0.00 0.00 0.00 176.54 176.64 3nnk h ALA 276 N 0.21 0.98 -0.58 3.60 0.00 -0.46 -2.21 119.26 120.80 3nnk h ALA 276 Ca -0.04 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3nnk h ALA 276 Cb 0.36 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3nnk h ALA 276 CO 0.06 0.27 0.29 -0.09 0.00 0.00 0.00 179.25 179.79 3nnk h ARG 277 N 0.93 0.53 -0.57 0.00 2.43 -0.92 -2.87 114.38 113.91 3nnk h ARG 277 Ca 0.30 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3nnk h ARG 277 Cb 0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3nnk h ARG 277 CO -0.11 0.35 0.18 0.93 -1.51 0.00 0.00 179.97 179.81 3nnk h GLU 278 N 0.55 0.89 0.03 0.20 4.39 -1.17 -1.72 114.58 117.75 3nnk h GLU 278 Ca 0.26 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.80 3nnk h GLU 278 Cb 0.19 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3nnk h GLU 278 CO -0.19 0.80 -0.26 0.00 -1.16 0.00 0.00 179.01 178.20 3nnk h ALA 280 N 0.39 1.12 -0.42 0.00 0.00 -1.50 -1.51 119.26 117.34 3nnk h ALA 280 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3nnk h ALA 280 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3nnk h ALA 280 CO -0.21 0.57 0.25 -0.09 0.00 0.00 0.00 179.25 179.78 3nnk h ARG 281 N 0.80 0.57 -0.26 0.00 2.43 -0.93 -1.18 114.38 115.80 3nnk h ARG 281 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3nnk h ARG 281 Cb 0.39 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3nnk h ARG 281 CO 0.01 0.42 0.09 -0.07 -1.51 0.00 0.00 179.97 178.91 3nnk h LEU 282 N 0.55 0.37 -1.49 3.80 3.38 -0.68 -0.68 115.31 120.56 3nnk h LEU 282 Ca 0.15 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3nnk h LEU 282 Cb -0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3nnk h LEU 282 CO -0.03 0.46 0.41 0.40 0.09 0.00 0.00 178.44 179.78 3nnk h ILE 283 N 0.26 1.01 0.00 1.22 2.04 -1.07 -2.11 117.51 118.86 3nnk h ILE 283 Ca 0.09 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3nnk h ILE 283 Cb 0.22 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3nnk h ILE 283 CO -0.00 0.11 -1.33 0.18 0.00 0.00 0.00 178.15 177.10 3nnk n LEU 284 N -4.47 0.86 -0.18 1.44 4.77 -0.47 -1.13 117.00 117.83 3nnk n LEU 284 Ca 0.09 0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 3nnk n LEU 284 Cb 0.22 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3nnk n LEU 284 CO 0.34 0.08 0.91 1.56 -1.33 0.00 0.00 177.39 178.95 3nnk h GLN 285 N 0.00 0.78 -0.14 3.23 4.20 -0.85 -3.10 115.11 119.23 3nnk h GLN 285 Ca -0.13 -0.18 -0.20 0.00 0.06 0.00 0.00 58.65 58.20 3nnk h GLN 285 Cb 1.48 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 29.15 3nnk h GLN 285 CO 0.04 0.74 -0.69 1.49 -0.67 0.00 0.00 178.83 179.74 3nnk h GLU 286 N 0.68 0.72 0.00 1.46 4.81 -1.49 -3.50 114.58 117.26 3nnk h GLU 286 Ca 0.16 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3nnk h GLU 286 Cb 0.29 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3nnk h GLU 286 CO -0.00 1.20 0.00 0.41 -0.73 0.00 0.00 179.01 179.88 3nnk n GLY 287 N 0.70 2.58 0.06 1.92 0.00 -0.29 -4.71 105.19 105.45 3nnk n GLY 287 Ca -0.08 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.02 -0.44 0.99 5.85 -1.86 -0.40 115.31 119.43 3nnk h LEU 288 Ca 0.00 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.44 3nnk h LEU 288 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3nnk h LEU 288 CO 0.00 0.32 0.16 0.44 -0.34 0.00 0.00 178.44 179.02 3nnk h ASP 289 N -0.36 0.18 -0.68 1.25 3.45 -1.92 0.11 116.42 118.44 3nnk h ASP 289 Ca -0.00 0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.43 3nnk h ASP 289 Cb 0.35 0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 3nnk h ASP 289 CO 0.00 0.13 0.12 1.88 -1.57 0.00 0.00 179.24 179.81 3nnk h TYR 290 N 0.33 1.19 -0.66 4.55 0.05 -1.83 -0.02 116.97 120.58 3nnk h TYR 290 Ca 0.20 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3nnk h TYR 290 Cb 0.19 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 3nnk h TYR 290 CO -0.15 0.99 0.37 0.78 -1.05 0.00 0.00 178.16 179.10 3nnk h GLY 291 N 1.06 0.97 1.02 3.88 0.00 -0.53 -0.14 103.07 109.33 3nnk h GLY 291 Ca 0.21 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 3nnk h GLY 291 CO 0.01 0.41 -0.10 -2.22 0.00 0.00 0.00 176.54 174.64 3nnk h ILE 292 N 0.90 1.27 -0.28 2.60 2.04 -0.61 -2.66 117.51 120.77 3nnk h ILE 292 Ca 0.23 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3nnk h ILE 292 Cb 0.02 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3nnk h ILE 292 CO -0.04 0.41 0.15 0.00 0.00 0.00 0.00 178.15 178.67 3nnk h ALA 293 N 0.87 1.74 -0.21 1.87 0.00 -0.71 -1.98 119.26 120.84 3nnk h ALA 293 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3nnk h ALA 293 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3nnk h ALA 293 CO 0.04 0.22 -0.03 -0.09 0.00 0.00 0.00 179.25 179.40 3nnk h ARG 294 N 0.38 0.40 -0.89 0.00 2.43 -0.82 -2.40 114.38 113.48 3nnk h ARG 294 Ca 0.10 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3nnk h ARG 294 Cb 0.02 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3nnk h ARG 294 CO -0.02 0.62 0.52 0.45 -1.51 0.00 0.00 179.97 180.03 3nnk h HIS 295 N 0.14 1.19 -0.28 2.20 3.86 -1.10 -2.62 115.15 118.54 3nnk h HIS 295 Ca 0.06 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3nnk h HIS 295 Cb 0.46 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3nnk h HIS 295 CO 0.04 0.80 0.14 -0.22 0.86 0.00 0.00 177.93 179.56 3nnk h LYS 296 N 1.23 0.39 -0.30 2.45 3.64 -1.36 -0.93 116.57 121.70 3nnk h LYS 296 Ca 0.32 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 3nnk h LYS 296 Cb -0.03 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3nnk h LYS 296 CO -0.06 0.37 0.11 1.25 -2.27 0.00 0.00 179.45 178.86 3nnk h LEU 297 N 0.32 0.14 0.03 5.20 5.85 -1.18 -1.26 115.31 124.40 3nnk h LEU 297 Ca 0.10 0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.61 3nnk h LEU 297 Cb 0.10 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3nnk h LEU 297 CO -0.01 0.12 -1.10 0.45 -0.34 0.00 0.00 178.44 177.55 3nnk h HIS 298 N 0.25 0.11 -0.15 1.25 3.86 -1.48 -2.41 115.15 116.59 3nnk h HIS 298 Ca 0.13 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3nnk h HIS 298 Cb 0.09 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3nnk h HIS 298 CO -0.12 1.07 0.09 0.78 0.86 0.00 0.00 177.93 180.60 3nnk h GLY 299 N 2.70 0.21 1.00 2.45 0.00 -1.08 -2.25 103.07 106.10 3nnk h GLY 299 Ca -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3nnk h GLY 299 CO 0.14 0.09 0.09 -0.55 0.00 0.00 0.00 176.54 176.31 3nnk h ASP 300 N 0.17 0.84 -1.00 0.19 3.32 -1.27 -2.05 116.42 116.62 3nnk h ASP 300 Ca 0.05 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 56.91 3nnk h ASP 300 Cb 0.03 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 3nnk h ASP 300 CO -0.01 0.89 0.65 0.00 -1.72 0.00 0.00 179.24 179.05 3nnk h ALA 301 N 0.99 1.40 -0.38 3.45 0.00 -1.40 -0.15 119.26 123.17 3nnk h ALA 301 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3nnk h ALA 301 Cb 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3nnk h ALA 301 CO 0.01 0.46 0.01 1.25 0.00 0.00 0.00 179.25 180.97 3nnk h LEU 302 N 1.18 0.65 0.01 0.00 5.85 -1.20 -1.49 115.31 120.32 3nnk h LEU 302 Ca 0.43 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3nnk h LEU 302 Cb 0.15 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3nnk h LEU 302 CO -0.16 0.80 -0.09 0.58 -0.34 0.00 0.00 178.44 179.22 3nnk h VAL 303 N 0.49 0.76 -0.06 1.05 2.07 -0.67 0.81 116.25 120.71 3nnk h VAL 303 Ca 0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 3nnk h VAL 303 Cb 0.46 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3nnk h VAL 303 CO 0.02 0.00 -0.24 0.11 0.02 0.00 0.00 177.57 177.48 3nnk h LYS 304 N -0.17 0.10 -0.06 1.57 1.57 -1.04 0.82 116.57 119.36 3nnk h LYS 304 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3nnk h LYS 304 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3nnk h LYS 304 CO -0.09 0.34 -0.02 0.78 -0.57 0.00 0.00 179.45 179.89 3nnk h GLY 305 N 0.83 0.13 1.00 3.86 0.00 -0.92 -2.79 103.07 105.18 3nnk h GLY 305 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3nnk h GLY 305 CO 0.03 0.10 0.35 -2.22 0.00 0.00 0.00 176.54 174.80 3nnk h ILE 306 N -0.22 1.22 -0.55 2.60 1.08 -0.34 -2.50 117.51 118.81 3nnk h ILE 306 Ca 0.02 -0.59 -0.05 0.00 -0.39 0.00 0.00 64.86 63.85 3nnk h ILE 306 Cb 0.41 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3nnk h ILE 306 CO 0.01 0.25 0.14 1.56 -0.69 0.00 0.00 178.15 179.42 3nnk h GLN 307 N 0.94 0.83 0.00 2.37 4.20 -0.91 -2.13 115.11 120.42 3nnk h GLN 307 Ca 0.24 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3nnk h GLN 307 Cb 0.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3nnk h GLN 307 CO -0.03 0.74 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 3nnk n ALA 308 N -2.46 2.13 1.74 3.87 0.00 -1.05 -2.53 120.51 122.21 3nnk n ALA 308 Ca 0.04 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.56 3nnk n ALA 308 Cb 0.22 -1.43 0.58 0.00 0.00 0.00 0.00 19.45 18.82 3nnk n ALA 308 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3nnk n MET 309 N -1.92 1.27 -2.68 0.00 0.00 -0.81 -3.74 117.12 109.23 3nnk n MET 309 Ca 0.05 -0.40 -0.07 0.00 0.00 0.00 0.00 57.70 57.28 3nnk n MET 309 Cb 0.34 -1.38 0.03 0.00 0.00 0.00 0.00 33.22 32.21 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 0.97 0.38 3.16 -5.12 0.00 -1.05 -4.85 105.19 98.67 3nnk n GLY 310 Ca 0.17 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.10 1.93 0.56 0.99 1.43 -1.17 -5.05 118.68 114.27 3nnk s LEU 311 Ca 0.11 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 3nnk s LEU 311 Cb -0.05 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 3nnk s LEU 311 CO 0.22 0.15 1.11 -1.61 0.23 0.00 0.00 176.35 176.45 3nnk s GLU 312 N 0.17 3.31 0.26 1.70 2.02 -1.26 -4.39 118.70 120.51 3nnk s GLU 312 Ca -0.09 1.51 0.11 0.00 0.02 0.00 0.00 54.97 56.52 3nnk s GLU 312 Cb -0.14 -2.01 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 3nnk s GLU 312 CO 0.04 -0.86 -0.13 0.95 0.02 0.00 0.00 175.26 175.28 3nnk s THR 313 N -1.95 2.88 0.04 3.63 -4.23 -1.26 -1.63 115.64 113.11 3nnk s THR 313 Ca 0.70 -2.13 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 3nnk s THR 313 Cb -0.22 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 3nnk s THR 313 CO 0.29 -0.34 0.29 0.12 -0.54 0.00 0.00 174.62 174.45 3nnk s PHE 314 N -2.29 3.56 0.00 3.99 5.36 -0.63 -4.84 117.98 123.14 3nnk s PHE 314 Ca 0.29 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.82 3nnk s PHE 314 Cb -0.06 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 3nnk s PHE 314 CO 0.16 0.58 0.00 0.41 -1.46 0.00 0.00 175.22 174.91 3nnk n GLY 315 N 0.87 -2.58 3.45 13.12 0.00 -1.26 -4.61 105.19 114.18 3nnk n GLY 315 Ca -0.09 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 3nnk n GLY 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nnk s ASP 316 N -2.20 6.32 0.63 1.61 -1.08 -1.02 -4.91 116.67 116.01 3nnk s ASP 316 Ca 0.00 -1.33 0.34 0.00 -0.52 0.00 0.00 52.55 51.04 3nnk s ASP 316 Cb 0.00 -2.41 1.90 0.00 -1.46 0.00 0.00 42.92 40.95 3nnk s ASP 316 CO 0.00 -1.32 2.17 -0.07 0.52 0.00 0.00 175.17 176.46 3nnk h LEU 317 N 11.08 0.00 -2.56 -1.34 3.38 -1.93 0.62 115.31 124.56 3nnk h LEU 317 Ca -0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3nnk h LEU 317 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3nnk h LEU 317 CO 1.17 0.00 -0.01 0.11 0.09 0.00 0.00 178.44 179.80 3nnk h LYS 318 N 0.00 0.00 0.00 1.13 1.57 -2.00 -2.96 116.57 114.31 3nnk h LYS 318 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3nnk h LYS 318 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3nnk h LYS 318 CO -0.00 0.01 -0.09 0.72 -0.57 0.00 0.00 179.45 179.52 3nnk n HIS 319 N -3.65 0.00 -2.30 -1.35 8.25 0.20 -5.06 115.22 111.31 3nnk n HIS 319 Ca -0.03 -0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 56.23 3nnk n HIS 319 Cb 0.09 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 3nnk n HIS 319 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3nnk s LYS 320 N -2.28 4.49 0.51 -0.41 2.20 -1.12 -0.18 119.74 122.94 3nnk s LYS 320 Ca 0.25 2.00 -0.23 0.00 -0.36 0.00 0.00 55.97 57.63 3nnk s LYS 320 Cb 0.22 -3.15 -0.06 0.00 -1.51 0.00 0.00 37.83 33.32 3nnk s LYS 320 CO 0.02 -0.03 1.32 -1.33 -0.36 0.00 0.00 175.35 174.97 3nnk n MET 321 N 1.40 1.76 0.26 4.03 2.81 -0.26 -4.77 117.12 122.34 3nnk n MET 321 Ca 0.01 0.64 0.12 0.00 -1.81 0.00 0.00 57.70 56.66 3nnk n MET 321 Cb 0.43 -2.50 0.72 0.00 -0.71 0.00 0.00 33.22 31.16 3nnk n MET 321 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3nnk h ASN 322 N 1.62 0.00 -0.19 7.83 2.35 -1.89 -3.26 115.58 122.04 3nnk h ASN 322 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3nnk h ASN 322 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 3nnk h ASN 322 CO 0.58 0.11 0.00 -0.46 -1.65 0.00 0.00 177.43 176.01 3nnk n ASN 323 N -3.76 2.46 -3.85 5.81 6.94 -1.26 -3.85 115.26 117.74 3nnk n ASN 323 Ca -0.02 -1.75 -0.12 0.00 -0.02 0.00 0.00 54.58 52.67 3nnk n ASN 323 Cb 0.22 -0.12 -0.14 0.00 -2.36 0.00 0.00 39.78 37.37 3nnk n ASN 323 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3nnk s VAL 324 N -0.97 -0.01 -0.05 3.53 1.01 -1.23 -0.78 120.40 121.90 3nnk s VAL 324 Ca 0.19 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3nnk s VAL 324 Cb 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 36.38 36.49 3nnk s VAL 324 CO 0.15 0.01 -0.05 -0.22 0.00 0.00 0.00 175.10 175.00 3nnk s LEU 325 N 0.16 1.29 -0.22 3.92 0.20 -0.80 -4.44 118.68 118.79 3nnk s LEU 325 Ca -0.01 -0.14 -0.22 0.00 0.69 0.00 0.00 54.13 54.44 3nnk s LEU 325 Cb -0.02 -0.49 -0.02 0.00 -0.43 0.00 0.00 46.19 45.23 3nnk s LEU 325 CO -0.00 -0.06 0.70 -0.83 -0.29 0.00 0.00 176.35 175.86 3nnk s GLY 326 N 1.01 1.93 -0.25 7.98 0.00 -1.26 -1.75 107.32 114.98 3nnk s GLY 326 Ca -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.37 3nnk s GLY 326 CO -0.00 1.50 -0.07 0.14 0.00 0.00 0.00 173.10 174.67 3nnk s VAL 327 N 2.30 2.77 0.15 1.40 1.01 0.12 -1.60 120.40 126.56 3nnk s VAL 327 Ca 0.31 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 3nnk s VAL 327 Cb -0.16 -2.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.72 3nnk s VAL 327 CO 0.09 0.18 1.35 -0.69 0.00 0.00 0.00 175.10 176.04 3nnk s VAL 328 N 1.30 3.28 -0.19 2.92 1.01 -0.65 -0.15 120.40 127.92 3nnk s VAL 328 Ca -0.01 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 3nnk s VAL 328 Cb -0.17 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3nnk s VAL 328 CO -0.05 0.11 1.31 -0.63 0.00 0.00 0.00 175.10 175.84 3nnk s ILE 329 N 0.65 4.18 0.42 2.22 1.01 0.83 -4.57 121.20 125.95 3nnk s ILE 329 Ca 0.61 1.41 0.26 0.00 0.00 0.00 0.00 60.65 62.93 3nnk s ILE 329 Cb -0.36 -3.99 0.45 0.00 0.01 0.00 0.00 42.46 38.57 3nnk s ILE 329 CO 0.34 -0.21 1.67 -0.65 0.00 0.00 0.00 174.94 176.08 3nnk h PRO 330 N 8.64 0.17 0.00 2.79 0.11 -1.89 -3.48 132.00 138.35 3nnk h PRO 330 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3nnk h PRO 330 Cb 1.11 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3nnk h PRO 330 CO 0.98 0.11 0.00 0.94 -0.21 0.00 0.00 178.00 179.83 3nnk n GLN 331 N -4.69 0.00 -0.99 1.05 7.27 -1.26 -4.92 117.38 113.84 3nnk n GLN 331 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.41 3nnk n GLN 331 Cb 1.26 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.91 3nnk n GLN 331 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 332 N 2.20 0.50 3.00 1.69 0.00 -1.26 -5.03 105.19 106.29 3nnk n GLY 332 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 3nnk n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nnk s ILE 333 N -2.00 1.25 -0.13 -0.61 -1.09 -1.26 -5.08 121.20 112.28 3nnk s ILE 333 Ca 0.00 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 57.64 3nnk s ILE 333 Cb 0.00 -1.17 -0.01 0.00 -1.58 0.00 0.00 42.46 39.70 3nnk s ILE 333 CO 0.00 0.39 1.10 0.21 -1.23 0.00 0.00 174.94 175.41 3nnk s ASN 334 N 1.09 7.13 0.07 3.58 3.84 -1.26 -4.86 114.94 124.54 3nnk s ASN 334 Ca -0.06 1.59 -0.18 0.00 0.21 0.00 0.00 52.86 54.43 3nnk s ASN 334 Cb -0.14 -2.55 -0.10 0.00 -0.55 0.00 0.00 41.25 37.90 3nnk s ASN 334 CO -0.02 -0.57 1.42 1.23 -2.79 0.00 0.00 177.10 176.37 3nnk h GLY 335 N 8.58 0.56 2.00 1.21 0.00 -2.00 -2.68 103.07 110.73 3nnk h GLY 335 Ca -0.29 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 3nnk h GLY 335 CO 0.90 0.47 -0.02 -0.55 0.00 0.00 0.00 176.54 177.35 3nnk h ASP 336 N 0.22 0.00 0.08 0.19 5.19 -1.96 -1.59 116.42 118.55 3nnk h ASP 336 Ca 0.05 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.21 3nnk h ASP 336 Cb 0.66 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.19 3nnk h ASP 336 CO 0.04 0.02 -1.04 -0.61 -3.12 0.00 0.00 179.24 174.53 3nnk h GLN 337 N 0.00 0.57 -0.07 3.56 4.15 -1.93 -1.38 115.11 120.02 3nnk h GLN 337 Ca -0.00 -0.71 -0.10 0.00 0.77 0.00 0.00 58.65 58.60 3nnk h GLN 337 Cb 0.04 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3nnk h GLN 337 CO 0.00 1.30 -0.42 0.00 -1.93 0.00 0.00 178.83 177.78 3nnk h ALA 338 N 0.29 1.17 -0.36 3.38 0.00 -1.20 -1.25 119.26 121.30 3nnk h ALA 338 Ca -0.15 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 3nnk h ALA 338 Cb 1.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3nnk h ALA 338 CO 0.20 0.58 -0.21 0.00 0.00 0.00 0.00 179.25 179.82 3nnk h ARG 339 N 0.12 0.77 -0.56 0.00 3.08 -1.31 -1.85 114.38 114.64 3nnk h ARG 339 Ca 0.01 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.60 3nnk h ARG 339 Cb 0.80 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3nnk h ARG 339 CO 0.06 0.97 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.65 3nnk h LYS 340 N 0.56 1.02 -0.18 0.04 3.64 -1.09 -2.60 116.57 117.96 3nnk h LYS 340 Ca 0.07 -0.35 -0.21 0.00 -1.27 0.00 0.00 60.65 58.89 3nnk h LYS 340 Cb 0.77 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3nnk h LYS 340 CO 0.06 1.04 -0.70 -0.07 -2.27 0.00 0.00 179.45 177.51 3nnk h LEU 341 N 0.92 0.86 -0.85 5.20 3.38 -1.24 -1.38 115.31 122.20 3nnk h LEU 341 Ca 0.15 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3nnk h LEU 341 Cb 0.63 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3nnk h LEU 341 CO 0.04 1.32 0.54 0.24 0.09 0.00 0.00 178.44 180.68 3nnk h MET 342 N 0.53 1.14 0.12 1.13 2.86 -1.33 -2.31 114.93 117.06 3nnk h MET 342 Ca -0.03 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3nnk h MET 342 Cb 1.31 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3nnk h MET 342 CO 0.14 0.77 -0.06 1.25 1.06 0.00 0.00 176.91 180.08 3nnk h LEU 343 N 1.16 -0.14 -0.95 1.22 5.85 -1.09 -1.05 115.31 120.31 3nnk h LEU 343 Ca 0.31 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3nnk h LEU 343 Cb -0.10 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3nnk h LEU 343 CO -0.06 0.42 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.62 3nnk h GLU 344 N -1.01 0.00 0.00 1.25 5.08 -1.34 -0.39 114.58 118.17 3nnk h GLU 344 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3nnk h GLU 344 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3nnk h GLU 344 CO 0.03 0.50 -1.66 -0.25 -1.00 0.00 0.00 179.01 176.63 3nnk n ASP 345 N -3.83 1.75 0.00 1.42 8.00 -0.87 -4.67 116.55 118.35 3nnk n ASP 345 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3nnk n ASP 345 Cb 0.53 1.62 0.00 0.00 -0.02 0.00 0.00 41.12 43.25 3nnk n ASP 345 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3nnk n PHE 346 N -2.01 0.00 -1.45 1.24 3.72 -0.96 -5.02 117.46 112.96 3nnk n PHE 346 Ca -0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.33 3nnk n PHE 346 Cb 0.39 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.92 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 2.02 0.50 3.24 1.37 0.00 -0.15 -4.91 105.19 107.26 3nnk n GLY 347 Ca 0.00 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.16 2.93 -0.21 -0.61 1.01 -0.46 -0.09 121.20 121.60 3nnk s ILE 348 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 3nnk s ILE 348 Cb 0.00 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 3nnk s ILE 348 CO 0.00 0.41 0.53 -0.70 0.00 0.00 0.00 174.94 175.18 3nnk s GLU 349 N 1.40 4.17 0.15 2.79 2.12 -0.30 -2.39 118.70 126.64 3nnk s GLU 349 Ca 0.04 0.42 0.08 0.00 0.36 0.00 0.00 54.97 55.88 3nnk s GLU 349 Cb -0.14 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 3nnk s GLU 349 CO -0.06 -0.19 -0.11 0.96 -0.54 0.00 0.00 175.26 175.32 3nnk s ILE 350 N 1.77 3.20 0.26 -3.70 -4.36 -1.26 -0.19 121.20 116.92 3nnk s ILE 350 Ca 0.24 -1.54 -0.22 0.00 -0.26 0.00 0.00 60.65 58.88 3nnk s ILE 350 Cb -0.15 -2.55 -0.09 0.00 1.25 0.00 0.00 42.46 40.92 3nnk s ILE 350 CO 0.10 -0.03 0.81 -0.83 0.24 0.00 0.00 174.94 175.22 3nnk s GLY 351 N -2.59 2.68 0.56 6.27 0.00 -0.08 -4.84 107.32 109.32 3nnk s GLY 351 Ca 0.23 0.29 -0.06 0.00 0.00 0.00 0.00 44.72 45.19 3nnk s GLY 351 CO 0.14 0.68 0.87 -1.08 0.00 0.00 0.00 173.10 173.71 3nnk s THR 352 N -1.57 4.09 0.12 0.90 -1.32 -1.26 -0.96 115.64 115.64 3nnk s THR 352 Ca 0.46 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 61.09 3nnk s THR 352 Cb -0.17 -3.60 -0.04 0.00 -1.51 0.00 0.00 72.50 67.18 3nnk s THR 352 CO 0.22 -0.62 0.11 -0.44 -2.21 0.00 0.00 174.62 171.68 3nnk s SER 353 N -4.24 5.58 0.21 8.08 0.01 -1.19 -4.68 113.70 117.47 3nnk s SER 353 Ca 0.52 -0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.78 3nnk s SER 353 Cb -0.10 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 3nnk s SER 353 CO 0.46 0.12 0.27 -0.36 0.41 0.00 0.00 173.24 174.14 3nnk s PHE 354 N -1.56 3.33 0.00 2.43 0.08 -1.26 -3.47 117.98 117.53 3nnk s PHE 354 Ca 0.30 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.34 3nnk s PHE 354 Cb -0.11 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 3nnk s PHE 354 CO 0.23 0.49 0.00 0.41 -0.10 0.00 0.00 175.22 176.25 3nnk n GLY 355 N -1.04 3.56 0.00 4.36 0.00 -1.26 -2.88 105.19 107.94 3nnk n GLY 355 Ca -0.08 0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 10.86 0.43 0.00 1.61 -0.04 -1.26 -1.92 135.00 144.68 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 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.57 0.13 -4.65 1.53 4.77 -1.14 -5.01 117.00 112.07 3nnk n LEU 357 Ca 0.01 -0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 3nnk n LEU 357 Cb 0.01 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3nnk n LEU 357 CO 0.01 0.03 1.66 1.57 -1.33 0.00 0.00 177.39 179.34 3nnk n HIS 358 N -0.22 2.39 -0.40 -1.77 -0.00 -0.81 -0.48 115.22 113.94 3nnk n HIS 358 Ca 0.00 -0.33 0.00 0.00 0.46 0.00 0.00 57.72 57.85 3nnk n HIS 358 Cb 0.06 -2.79 0.00 0.00 -0.12 0.00 0.00 29.99 27.14 3nnk n HIS 358 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nnk n GLY 359 N 4.83 0.72 0.04 1.57 0.00 -1.26 -4.89 105.19 106.19 3nnk n GLY 359 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 3nnk n GLY 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nnk n LYS 360 N -2.00 1.17 -4.37 1.61 4.76 0.37 -4.78 118.16 114.92 3nnk n LYS 360 Ca 0.00 0.03 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 3nnk n LYS 360 Cb 0.00 -1.17 -0.16 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.17 0.76 0.17 -0.18 1.01 -0.99 -0.12 120.40 118.89 3nnk s VAL 361 Ca -0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 3nnk s VAL 361 Cb 0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 3nnk s VAL 361 CO 0.22 0.24 0.43 0.26 0.00 0.00 0.00 175.10 176.26 3nnk s TRP 362 N 0.26 3.46 -0.27 5.22 0.51 0.79 -3.20 118.94 125.71 3nnk s TRP 362 Ca -0.04 0.65 0.03 0.00 -2.12 0.00 0.00 56.10 54.62 3nnk s TRP 362 Cb -0.09 -2.08 0.07 0.00 -0.81 0.00 0.00 33.47 30.55 3nnk s TRP 362 CO 0.01 0.37 -0.07 1.03 -0.51 0.00 0.00 176.95 177.78 3nnk s ARG 363 N -2.74 1.97 -0.31 4.98 0.52 -0.13 -0.70 118.95 122.53 3nnk s ARG 363 Ca 0.43 -1.33 -0.07 0.00 -0.52 0.00 0.00 55.73 54.24 3nnk s ARG 363 Cb -0.12 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.52 3nnk s ARG 363 CO 0.24 -0.63 0.10 0.42 0.02 0.00 0.00 175.30 175.45 3nnk s ILE 364 N 1.15 4.04 0.12 1.52 1.01 -0.72 -0.90 121.20 127.43 3nnk s ILE 364 Ca -0.05 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 3nnk s ILE 364 Cb -0.20 -3.13 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 3nnk s ILE 364 CO -0.06 0.01 0.37 -0.83 0.00 0.00 0.00 174.94 174.43 3nnk s GLY 365 N 1.50 2.25 -0.46 6.18 0.00 0.66 -1.90 107.32 115.55 3nnk s GLY 365 Ca 0.02 -0.53 0.03 0.00 0.00 0.00 0.00 44.72 44.24 3nnk s GLY 365 CO 0.03 -0.42 0.30 -0.51 0.00 0.00 0.00 173.10 172.51 3nnk s THR 366 N -1.59 1.11 0.15 0.90 -4.23 0.04 -4.50 115.64 107.52 3nnk s THR 366 Ca 0.39 -2.71 0.08 0.00 -1.18 0.00 0.00 61.69 58.27 3nnk s THR 366 Cb -0.12 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 3nnk s THR 366 CO 0.23 -1.03 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.06 3nnk s MET 367 N 0.11 1.21 0.01 3.99 -1.94 -1.26 -4.45 119.30 116.97 3nnk s MET 367 Ca 0.23 -1.33 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 3nnk s MET 367 Cb -0.13 -1.29 0.00 0.00 2.01 0.00 0.00 34.83 35.42 3nnk s MET 367 CO -0.08 0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.61 3nnk n GLY 368 N 0.50 1.99 0.30 -0.03 0.00 -1.25 0.03 105.19 106.73 3nnk n GLY 368 Ca -0.15 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.66 -0.01 1.61 3.20 -1.84 -2.65 116.97 117.95 3nnk h TYR 369 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3nnk h TYR 369 Cb 0.00 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3nnk h TYR 369 CO 0.00 0.53 -0.02 0.09 -1.64 0.00 0.00 178.16 177.13 3nnk n ASN 370 N -4.35 0.83 -3.74 -2.11 3.02 0.10 -4.44 115.26 104.57 3nnk n ASN 370 Ca 0.03 -1.20 -0.42 0.00 -0.03 0.00 0.00 54.58 52.96 3nnk n ASN 370 Cb 0.16 -0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3nnk n ASN 370 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nnk n ALA 371 N -0.40 4.92 -2.27 5.41 0.00 -0.57 -4.38 120.51 123.23 3nnk n ALA 371 Ca 0.20 -3.74 -0.15 0.00 0.00 0.00 0.00 53.44 49.75 3nnk n ALA 371 Cb 0.26 -3.56 -0.10 0.00 0.00 0.00 0.00 19.45 16.04 3nnk n ALA 371 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nnk s ARG 372 N 3.69 1.16 0.12 0.00 0.52 -1.26 -4.84 118.95 118.34 3nnk s ARG 372 Ca 0.50 -1.55 -0.19 0.00 -0.52 0.00 0.00 55.73 53.97 3nnk s ARG 372 Cb 0.14 -0.49 -0.05 0.00 0.52 0.00 0.00 34.95 35.07 3nnk s ARG 372 CO -0.03 -0.05 1.75 -0.22 0.02 0.00 0.00 175.30 176.76 3nnk h LYS 373 N 2.66 0.37 -0.08 3.54 3.64 -1.98 -2.94 116.57 121.77 3nnk h LYS 373 Ca -0.37 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.88 3nnk h LYS 373 Cb 1.20 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3nnk h LYS 373 CO 0.64 0.29 -0.36 0.38 -2.27 0.00 0.00 179.45 178.13 3nnk h ASP 374 N 0.34 0.17 -0.47 4.20 2.03 -1.97 0.51 116.42 121.22 3nnk h ASP 374 Ca 0.10 -0.06 -0.08 0.00 -0.73 0.00 0.00 57.03 56.25 3nnk h ASP 374 Cb 0.02 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.46 3nnk h ASP 374 CO -0.02 0.53 -0.02 0.00 -1.03 0.00 0.00 179.24 178.70 3nnk h VAL 376 N 0.69 1.22 -0.78 0.00 2.07 -1.25 -2.40 116.25 115.81 3nnk h VAL 376 Ca 0.13 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3nnk h VAL 376 Cb 0.53 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3nnk h VAL 376 CO 0.03 0.23 0.31 0.24 0.02 0.00 0.00 177.57 178.40 3nnk h MET 377 N 0.21 1.17 -0.19 1.57 2.07 -0.90 -1.85 114.93 117.01 3nnk h MET 377 Ca 0.07 -0.21 -0.15 0.00 -2.07 0.00 0.00 59.70 57.34 3nnk h MET 377 Cb 0.31 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 3nnk h MET 377 CO 0.00 0.95 -0.50 1.15 1.07 0.00 0.00 176.91 179.58 3nnk h THR 378 N 1.13 1.32 -0.17 2.22 2.02 -1.17 -2.57 112.91 115.69 3nnk h THR 378 Ca 0.26 -1.73 -0.11 0.00 0.77 0.00 0.00 66.41 65.61 3nnk h THR 378 Cb 0.22 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3nnk h THR 378 CO -0.02 0.54 -0.30 0.74 0.37 0.00 0.00 175.52 176.84 3nnk h THR 379 N 0.40 1.35 -0.28 3.16 2.02 -1.30 -1.84 112.91 116.42 3nnk h THR 379 Ca 0.02 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.64 3nnk h THR 379 Cb 1.02 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 3nnk h THR 379 CO 0.09 0.47 0.09 -0.07 0.37 0.00 0.00 175.52 176.47 3nnk h LEU 380 N 0.16 0.41 -1.06 2.58 3.38 -1.36 0.15 115.31 119.57 3nnk h LEU 380 Ca 0.01 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3nnk h LEU 380 Cb 0.89 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3nnk h LEU 380 CO 0.07 0.51 -0.15 0.77 0.09 0.00 0.00 178.44 179.72 3nnk h SER 381 N 0.30 0.48 -0.09 -0.43 4.64 -1.54 -1.74 113.55 115.17 3nnk h SER 381 Ca 0.09 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3nnk h SER 381 Cb 0.24 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3nnk h SER 381 CO -0.00 0.66 -0.16 0.00 -0.87 0.00 0.00 176.83 176.46 3nnk h ALA 382 N 1.39 0.14 -0.14 5.18 0.00 -1.13 -2.40 119.26 122.30 3nnk h ALA 382 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3nnk h ALA 382 Cb 0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3nnk h ALA 382 CO 0.03 0.05 0.04 1.25 0.00 0.00 0.00 179.25 180.62 3nnk h LEU 383 N -0.18 0.03 -0.36 0.00 6.46 -0.62 -1.87 115.31 118.77 3nnk h LEU 383 Ca 0.01 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3nnk h LEU 383 Cb 0.73 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 3nnk h LEU 383 CO 0.04 0.04 0.18 -0.08 -0.62 0.00 0.00 178.44 177.99 3nnk h GLU 384 N 0.10 0.36 -0.74 1.25 4.81 -1.39 -1.74 114.58 117.22 3nnk h GLU 384 Ca 0.06 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3nnk h GLU 384 Cb 0.05 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 3nnk h GLU 384 CO -0.07 0.24 0.45 0.00 -0.73 0.00 0.00 179.01 178.90 3nnk h ALA 385 N 1.19 0.99 -0.63 2.92 0.00 -1.21 -1.52 119.26 121.01 3nnk h ALA 385 Ca 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3nnk h ALA 385 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3nnk h ALA 385 CO -0.11 0.20 0.09 0.28 0.00 0.00 0.00 179.25 179.71 3nnk h VAL 386 N 0.86 1.26 -0.49 0.00 2.07 -1.08 -2.57 116.25 116.30 3nnk h VAL 386 Ca 0.31 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 3nnk h VAL 386 Cb 0.09 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3nnk h VAL 386 CO -0.14 0.38 0.03 -0.07 0.02 0.00 0.00 177.57 177.80 3nnk h LEU 387 N 0.96 0.82 -1.05 2.57 3.38 -0.80 -2.00 115.31 119.19 3nnk h LEU 387 Ca 0.19 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3nnk h LEU 387 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3nnk h LEU 387 CO 0.02 0.91 0.20 0.78 0.09 0.00 0.00 178.44 180.44 3nnk h ASN 388 N 0.71 0.82 0.10 -0.43 2.35 -1.28 0.16 115.58 118.00 3nnk h ASN 388 Ca 0.14 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3nnk h ASN 388 Cb 0.46 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3nnk h ASN 388 CO 0.02 0.76 -0.24 0.22 -1.65 0.00 0.00 177.43 176.54 3nnk h TYR 389 N 0.86 0.28 -0.48 1.19 5.03 -1.22 -2.16 116.97 120.47 3nnk h TYR 389 Ca 0.20 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.46 3nnk h TYR 389 Cb 0.22 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.43 3nnk h TYR 389 CO 0.01 0.48 0.00 1.28 -1.32 0.00 0.00 178.16 178.62 3nnk n LEU 390 N -4.17 3.92 -2.39 2.82 4.32 -0.77 -4.95 117.00 115.78 3nnk n LEU 390 Ca -0.01 -1.98 -0.10 0.00 -0.02 0.00 0.00 56.01 53.90 3nnk n LEU 390 Cb 0.35 -0.53 0.05 0.00 -1.62 0.00 0.00 43.42 41.67 3nnk n LEU 390 CO 0.40 0.62 0.07 0.29 -1.22 0.00 0.00 177.39 177.54 3nnk n LYS 391 N 0.73 -3.89 -3.83 3.23 5.02 -0.81 -4.99 118.16 113.61 3nnk n LYS 391 Ca 0.20 0.49 -0.35 0.00 -2.02 0.00 0.00 58.31 56.62 3nnk n LYS 391 Cb 0.76 -4.44 -0.12 0.00 -0.02 0.00 0.00 35.03 31.21 3nnk n LYS 391 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3nnk s PHE 392 N -3.21 3.50 0.24 2.13 5.36 0.49 -4.99 117.98 121.51 3nnk s PHE 392 Ca 0.03 -2.27 -0.31 0.00 -0.96 0.00 0.00 56.93 53.42 3nnk s PHE 392 Cb -0.01 -2.85 -0.13 0.00 -0.34 0.00 0.00 43.02 39.68 3nnk s PHE 392 CO 0.42 -0.91 1.48 -2.30 -1.46 0.00 0.00 175.22 172.45 3nnk n PRO 393 N 4.58 2.23 -4.03 10.12 -0.02 -1.26 -3.87 135.00 142.75 3nnk n PRO 393 Ca -0.05 0.80 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3nnk n PRO 393 Cb 0.42 -2.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 3nnk n PRO 393 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3nnk s THR 394 N 0.10 0.34 -0.10 3.45 -4.23 -1.26 -5.00 115.64 108.94 3nnk s THR 394 Ca 0.69 -0.82 -0.29 0.00 -1.18 0.00 0.00 61.69 60.09 3nnk s THR 394 Cb -0.61 -0.41 -0.05 0.00 1.34 0.00 0.00 72.50 72.77 3nnk s THR 394 CO 0.48 -0.32 1.73 -0.89 -0.54 0.00 0.00 174.62 175.07 3nnk s THR 395 N -1.11 3.50 -0.21 3.99 2.01 -1.26 -4.89 115.64 117.66 3nnk s THR 395 Ca -0.09 0.58 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 3nnk s THR 395 Cb -0.08 -3.43 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 3nnk s THR 395 CO -0.00 -0.12 2.14 1.67 -0.69 0.00 0.00 174.62 177.62 3nnk n GLN 396 N 7.46 1.83 -0.32 4.92 7.27 -1.26 -1.78 117.38 135.50 3nnk n GLN 396 Ca 0.19 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.81 3nnk n GLN 396 Cb 0.43 -2.91 0.00 0.00 2.41 0.00 0.00 30.24 30.17 3nnk n GLN 396 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nnk n GLY 397 N 5.67 0.83 0.11 1.69 0.00 -1.26 -4.97 105.19 107.25 3nnk n GLY 397 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.16 -0.63 4.61 0.00 -1.64 -0.93 119.26 120.51 3nnk h ALA 398 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 398 Cb 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3nnk h ALA 398 CO 0.00 -0.35 0.29 0.00 0.00 0.00 0.00 179.25 179.19 3nnk h ALA 399 N 0.14 0.84 -0.25 0.00 0.00 -1.78 -2.17 119.26 116.04 3nnk h ALA 399 Ca -0.02 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3nnk h ALA 399 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3nnk h ALA 399 CO 0.03 -0.10 -0.56 0.52 0.00 0.00 0.00 179.25 179.13 3nnk h MET 400 N 0.52 0.83 -0.12 0.00 2.07 -1.85 -3.04 114.93 113.33 3nnk h MET 400 Ca 0.31 -0.55 0.03 0.00 -2.07 0.00 0.00 59.70 57.41 3nnk h MET 400 Cb 0.31 0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 30.09 3nnk h MET 400 CO -0.25 1.18 -0.04 0.37 1.07 0.00 0.00 176.91 179.24 3nnk h GLN 401 N 0.59 -0.02 -0.58 1.72 5.75 -0.88 -1.63 115.11 120.06 3nnk h GLN 401 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3nnk h GLN 401 Cb 1.18 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.70 3nnk h GLN 401 CO 0.12 -0.01 0.35 0.00 -2.65 0.00 0.00 178.83 176.64 3nnk h ALA 402 N 1.10 1.52 -0.18 3.38 0.00 -1.46 0.37 119.26 124.00 3nnk h ALA 402 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3nnk h ALA 402 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3nnk h ALA 402 CO -0.14 0.42 0.07 0.00 0.00 0.00 0.00 179.25 179.60 3nnk h ALA 403 N 1.59 0.23 -0.71 0.00 0.00 -1.36 -1.00 119.26 118.01 3nnk h ALA 403 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3nnk h ALA 403 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3nnk h ALA 403 CO -0.04 -0.17 0.24 -1.49 0.00 0.00 0.00 179.25 177.79 3nnk h TRP 404 N 0.13 1.13 -0.86 0.00 6.55 -0.72 -2.24 115.95 119.94 3nnk h TRP 404 Ca 0.06 -0.11 0.02 0.00 0.95 0.00 0.00 58.89 59.82 3nnk h TRP 404 Cb 0.19 -0.33 -0.05 0.00 -0.86 0.00 0.00 29.16 28.11 3nnk h TRP 404 CO -0.01 0.89 0.56 -0.44 -1.05 0.00 0.00 178.44 178.39 3nnk h ASP 405 N 1.04 0.96 -0.40 -3.49 3.32 -0.12 0.14 116.42 117.87 3nnk h ASP 405 Ca 0.23 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 3nnk h ASP 405 Cb 0.28 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3nnk h ASP 405 CO -0.01 0.67 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.34 3nnk h HIS 406 N 1.12 0.87 -0.06 4.55 2.76 -1.06 -1.65 115.15 121.68 3nnk h HIS 406 Ca 0.33 -0.19 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 3nnk h HIS 406 Cb -0.06 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 3nnk h HIS 406 CO -0.02 0.90 -0.38 1.88 -1.30 0.00 0.00 177.93 179.01 3nnk h TYR 407 N 0.58 0.13 -0.04 5.26 0.05 -1.04 -2.68 116.97 119.24 3nnk h TYR 407 Ca 0.10 -0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.75 3nnk h TYR 407 Cb 0.62 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 38.34 3nnk h TYR 407 CO 0.05 0.49 -0.35 0.00 -1.05 0.00 0.00 178.16 177.29 3nnk h ARG 408 N 0.10 0.31 -0.50 4.88 -0.00 -0.67 -3.29 114.38 115.22 3nnk h ARG 408 Ca 0.01 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.98 59.14 3nnk h ARG 408 Cb 0.73 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.74 3nnk h ARG 408 CO 0.05 0.95 0.04 0.77 0.00 0.00 0.00 179.97 181.77 3nnk h SER 409 N -0.22 0.83 0.74 7.04 0.02 -1.30 -3.12 113.55 117.54 3nnk h SER 409 Ca -0.03 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 3nnk h SER 409 Cb 1.04 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3nnk h SER 409 CO 0.07 0.91 -0.14 -0.33 -1.14 0.00 0.00 176.83 176.20 3nnk h GLU 410 N 0.72 0.00 0.00 3.45 5.08 -1.62 -3.52 114.58 118.70 3nnk h GLU 410 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3nnk h GLU 410 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3nnk h GLU 410 CO 0.02 0.14 0.00 2.89 -1.00 0.00 0.00 179.01 181.06