#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njk s GLN 2 N 0.00 0.28 -0.04 -1.40 -0.21 -1.26 -4.70 119.66 112.33 1njk s GLN 2 Ca 0.00 0.13 -0.07 0.00 0.02 0.00 0.00 55.36 55.45 1njk s GLN 2 Cb 0.00 0.13 0.01 0.00 1.00 0.00 0.00 33.01 34.15 1njk s GLN 2 CO 0.00 -0.07 0.17 0.99 -2.12 0.00 0.00 175.29 174.26 1njk s THR 3 N -0.71 0.03 -0.01 -0.19 2.01 -0.58 -4.96 115.64 111.23 1njk s THR 3 Ca 0.05 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 61.87 1njk s THR 3 Cb -0.02 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1njk s THR 3 CO -0.06 -0.14 -0.23 -1.10 -0.69 0.00 0.00 174.62 172.41 1njk s GLN 4 N -0.45 2.14 -0.04 4.92 -0.21 -1.26 0.15 119.66 124.92 1njk s GLN 4 Ca -0.05 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.43 1njk s GLN 4 Cb -0.04 -2.12 0.02 0.00 1.00 0.00 0.00 33.01 31.87 1njk s GLN 4 CO 0.01 0.56 -0.06 0.42 -2.12 0.00 0.00 175.29 174.11 1njk s ILE 5 N -0.71 0.60 -0.13 1.08 1.01 0.12 -4.95 121.20 118.23 1njk s ILE 5 Ca 0.11 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1njk s ILE 5 Cb -0.10 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1njk s ILE 5 CO 0.01 0.23 0.49 -0.75 0.00 0.00 0.00 174.94 174.92 1njk s LYS 6 N 0.76 4.33 -0.08 2.79 2.47 -1.26 -0.10 119.74 128.65 1njk s LYS 6 Ca -0.11 0.47 -0.30 0.00 -1.56 0.00 0.00 55.97 54.47 1njk s LYS 6 Cb -0.14 -3.45 -0.02 0.00 -1.46 0.00 0.00 37.83 32.76 1njk s LYS 6 CO 0.01 0.11 1.07 0.08 0.16 0.00 0.00 175.35 176.78 1njk s VAL 7 N 0.77 4.60 0.43 4.02 1.01 0.10 -4.99 120.40 126.34 1njk s VAL 7 Ca 0.26 1.88 0.07 0.00 0.00 0.00 0.00 61.98 64.19 1njk s VAL 7 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1njk s VAL 7 CO 0.11 0.01 0.21 -0.13 0.00 0.00 0.00 175.10 175.30 1njk s ARG 8 N 1.99 2.25 0.41 2.72 1.81 -1.26 -1.24 118.95 125.64 1njk s ARG 8 Ca 0.51 -1.85 0.10 0.00 -1.72 0.00 0.00 55.73 52.77 1njk s ARG 8 Cb -0.21 -2.01 0.91 0.00 -0.45 0.00 0.00 34.95 33.20 1njk s ARG 8 CO 0.20 -0.16 2.02 0.78 -0.68 0.00 0.00 175.30 177.45 1njk h GLY 9 N 1.35 0.63 1.75 -3.53 0.00 -1.97 -1.92 103.07 99.38 1njk h GLY 9 Ca -0.42 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1njk h GLY 9 CO 0.68 0.17 0.00 1.58 0.00 0.00 0.00 176.54 178.97 1njk n TYR 10 N -4.47 0.00 0.13 5.60 0.18 -1.26 -2.77 117.16 114.57 1njk n TYR 10 Ca 0.07 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.93 1njk n TYR 10 Cb 0.20 -0.38 0.04 0.00 -0.38 0.00 0.00 39.34 38.83 1njk n TYR 10 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1njk h HIS 11 N 0.00 0.00 -3.72 -3.48 3.86 -1.75 -3.47 115.15 106.59 1njk h HIS 11 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 1njk h HIS 11 Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1njk h HIS 11 CO 0.00 0.18 0.11 -0.51 0.86 0.00 0.00 177.93 178.57 1njk s LEU 12 N -5.86 3.91 0.00 2.43 1.43 -1.11 -1.91 118.68 117.57 1njk s LEU 12 Ca 0.02 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1njk s LEU 12 Cb 0.08 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1njk s LEU 12 CO 0.75 -0.33 0.00 -0.90 0.23 0.00 0.00 176.35 176.10 1njk n ASP 13 N -0.96 1.31 0.08 2.29 5.68 -0.64 -4.78 116.55 119.53 1njk n ASP 13 Ca 0.03 -0.60 0.20 0.00 -0.50 0.00 0.00 54.79 53.93 1njk n ASP 13 Cb 0.54 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.20 1njk n ASP 13 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1njk h VAL 14 N 0.39 0.24 -0.05 2.12 3.04 -1.99 -0.18 116.25 119.82 1njk h VAL 14 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1njk h VAL 14 Cb 0.00 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 29.80 1njk h VAL 14 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 1njk n TYR 15 N -3.47 0.06 -1.22 3.17 4.02 -1.26 -4.91 117.16 113.55 1njk n TYR 15 Ca 0.08 -0.03 -0.07 0.00 -0.01 0.00 0.00 57.90 57.87 1njk n TYR 15 Cb 0.75 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.04 1njk n TYR 15 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1njk n GLN 16 N 0.01 -0.77 -4.36 -0.72 1.13 -0.08 -5.00 117.38 107.60 1njk n GLN 16 Ca 0.19 0.69 -0.23 0.00 -1.94 0.00 0.00 57.00 55.71 1njk n GLN 16 Cb 0.30 -4.57 -0.11 0.00 0.11 0.00 0.00 30.24 25.97 1njk n GLN 16 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1njk s HIS 17 N -2.15 1.95 0.24 1.08 3.76 -1.26 -4.48 115.29 114.42 1njk s HIS 17 Ca 0.00 -0.44 -0.31 0.00 -0.15 0.00 0.00 55.06 54.16 1njk s HIS 17 Cb 0.00 -0.96 -0.13 0.00 1.11 0.00 0.00 32.58 32.60 1njk s HIS 17 CO 0.00 0.39 1.55 0.28 -0.85 0.00 0.00 174.74 176.11 1njk n VAL 18 N 0.23 0.66 -1.93 -0.90 0.31 -0.68 -1.63 118.33 114.40 1njk n VAL 18 Ca -0.13 -0.17 -0.39 0.00 -0.01 0.00 0.00 64.34 63.65 1njk n VAL 18 Cb 0.57 -1.72 0.01 0.00 -0.91 0.00 0.00 33.84 31.79 1njk n VAL 18 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1njk s ASN 19 N 0.60 5.85 0.28 4.52 2.47 -0.80 -4.81 114.94 123.05 1njk s ASN 19 Ca 0.70 2.72 0.02 0.00 0.42 0.00 0.00 52.86 56.71 1njk s ASN 19 Cb -0.58 -2.64 0.60 0.00 -1.45 0.00 0.00 41.25 37.18 1njk s ASN 19 CO 0.45 -1.17 1.79 0.78 -3.72 0.00 0.00 177.10 175.23 1njk h ASN 20 N 2.12 0.77 -0.25 -4.21 2.35 -1.93 -1.60 115.58 112.82 1njk h ASN 20 Ca -0.50 0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.20 1njk h ASN 20 Cb 1.27 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 1njk h ASN 20 CO 0.60 0.34 -0.28 0.00 -1.65 0.00 0.00 177.43 176.45 1njk h ALA 21 N 1.58 0.84 -0.20 -0.83 0.00 -1.99 -3.17 119.26 115.48 1njk h ALA 21 Ca 0.51 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1njk h ALA 21 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1njk h ALA 21 CO -0.33 0.64 0.12 -0.09 0.00 0.00 0.00 179.25 179.59 1njk h ARG 22 N 0.64 0.26 -0.46 0.00 9.65 -1.64 -1.32 114.38 121.51 1njk h ARG 22 Ca 0.08 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1njk h ARG 22 Cb 0.80 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 1njk h ARG 22 CO 0.07 0.18 0.31 1.88 2.80 0.00 0.00 179.97 185.21 1njk h TYR 23 N 0.27 0.54 0.00 2.20 -1.99 -1.51 -0.28 116.97 116.19 1njk h TYR 23 Ca 0.07 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.75 1njk h TYR 23 Cb -0.01 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 1njk h TYR 23 CO 0.00 0.33 -0.30 -0.07 -0.00 0.00 0.00 178.16 178.12 1njk h LEU 24 N 0.57 0.00 -0.22 3.88 4.07 -1.38 -0.03 115.31 122.19 1njk h LEU 24 Ca 0.18 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.93 1njk h LEU 24 Cb 0.02 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.77 1njk h LEU 24 CO -0.04 0.30 -0.67 -0.33 -1.08 0.00 0.00 178.44 176.61 1njk h GLU 25 N 0.00 0.84 -0.56 1.13 5.08 -1.11 -1.26 114.58 118.70 1njk h GLU 25 Ca -0.00 -0.61 0.02 0.00 -1.00 0.00 0.00 59.36 57.77 1njk h GLU 25 Cb 0.57 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1njk h GLU 25 CO 0.04 1.23 0.35 0.74 -1.00 0.00 0.00 179.01 180.37 1njk h PHE 26 N 0.61 0.65 -0.60 4.33 0.04 -0.72 0.29 116.94 121.54 1njk h PHE 26 Ca -0.02 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 1njk h PHE 26 Cb 1.29 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 1njk h PHE 26 CO 0.08 0.38 0.05 -0.07 -0.60 0.00 0.00 178.31 178.15 1njk h LEU 27 N 0.69 1.00 -0.73 1.54 3.38 -0.97 -2.12 115.31 118.10 1njk h LEU 27 Ca 0.22 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1njk h LEU 27 Cb -0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1njk h LEU 27 CO -0.09 1.03 0.15 -0.08 0.09 0.00 0.00 178.44 179.54 1njk h GLU 28 N 0.93 1.12 -0.52 1.13 4.81 -0.75 -2.13 114.58 119.16 1njk h GLU 28 Ca 0.18 -0.28 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1njk h GLU 28 Cb 0.49 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 1njk h GLU 28 CO 0.02 1.00 0.23 1.49 -0.73 0.00 0.00 179.01 181.02 1njk h GLU 29 N 1.06 0.43 -0.48 1.92 4.57 -0.74 -0.02 114.58 121.32 1njk h GLU 29 Ca 0.22 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1njk h GLU 29 Cb 0.40 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1njk h GLU 29 CO 0.01 0.29 0.19 0.00 -1.18 0.00 0.00 179.01 178.31 1njk h ALA 30 N 1.32 1.43 -0.27 2.92 0.00 -0.95 -0.75 119.26 122.95 1njk h ALA 30 Ca 0.24 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1njk h ALA 30 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1njk h ALA 30 CO -0.21 0.43 -0.36 0.00 0.00 0.00 0.00 179.25 179.12 1njk h ARG 31 N 0.69 0.73 -0.54 0.00 3.08 -0.59 -1.29 114.38 116.46 1njk h ARG 31 Ca 0.17 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1njk h ARG 31 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1njk h ARG 31 CO -0.02 1.04 0.27 -1.49 -1.07 0.00 0.00 179.97 178.70 1njk h TRP 32 N 0.47 0.77 -0.34 3.04 4.06 -0.69 -1.93 115.95 121.32 1njk h TRP 32 Ca 0.03 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1njk h TRP 32 Cb 0.94 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.85 1njk h TRP 32 CO 0.08 0.59 0.18 0.22 -3.56 0.00 0.00 178.44 175.95 1njk h ASP 33 N 0.72 0.42 0.72 -3.49 1.82 -1.10 0.48 116.42 115.99 1njk h ASP 33 Ca 0.19 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1njk h ASP 33 Cb 0.10 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1njk h ASP 33 CO -0.03 0.39 0.00 0.61 -1.61 0.00 0.00 179.24 178.60 1njk n GLY 34 N -0.97 -1.26 0.41 -0.78 0.00 -0.49 -2.89 105.19 99.21 1njk n GLY 34 Ca -0.01 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.12 1njk n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1njk n LEU 35 N -2.14 1.90 -0.74 0.99 4.77 -0.74 -4.54 117.00 116.49 1njk n LEU 35 Ca 0.02 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1njk n LEU 35 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1njk n LEU 35 CO 0.19 0.38 0.25 -1.84 -1.33 0.00 0.00 177.39 175.04 1njk n GLU 36 N 0.55 0.67 -0.01 3.23 0.28 0.10 -2.77 120.64 122.69 1njk n GLU 36 Ca 0.06 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.88 1njk n GLU 36 Cb 0.26 -1.25 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 1njk n GLU 36 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1njk n ASN 37 N 0.41 1.80 -1.02 -1.84 4.05 -1.26 -4.98 115.26 112.42 1njk n ASN 37 Ca 0.00 0.23 -0.13 0.00 0.45 0.00 0.00 54.58 55.13 1njk n ASN 37 Cb 0.25 -0.63 -0.06 0.00 1.23 0.00 0.00 39.78 40.58 1njk n ASN 37 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1njk n SER 38 N -3.36 -5.25 0.15 1.20 7.64 -1.11 -4.82 113.62 108.07 1njk n SER 38 Ca -0.29 0.33 0.13 0.00 1.01 0.00 0.00 58.87 60.04 1njk n SER 38 Cb 1.05 -3.92 0.52 0.00 -1.01 0.00 0.00 64.21 60.86 1njk n SER 38 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1njk h ASP 39 N 0.00 0.00 0.00 6.43 2.03 -1.93 -3.29 116.42 119.66 1njk h ASP 39 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1njk h ASP 39 Cb 1.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1njk h ASP 39 CO 0.40 0.00 0.00 -1.20 -1.03 0.00 0.00 179.24 177.41 1njk n SER 40 N -2.37 0.00 -0.00 4.15 7.64 -1.26 -4.82 113.62 116.95 1njk n SER 40 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 1njk n SER 40 Cb 0.24 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.36 1njk n SER 40 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1njk h PHE 41 N 0.00 0.07 -0.90 1.43 3.04 -1.89 -2.66 116.94 116.03 1njk h PHE 41 Ca 0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1njk h PHE 41 Cb 0.00 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.45 1njk h PHE 41 CO 0.00 0.29 0.56 0.37 -2.02 0.00 0.00 178.31 177.51 1njk h GLN 42 N -0.17 1.21 0.00 1.11 4.15 -1.91 0.83 115.11 120.33 1njk h GLN 42 Ca 0.01 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1njk h GLN 42 Cb 0.26 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1njk h GLN 42 CO 0.00 0.84 0.00 1.87 -1.93 0.00 0.00 178.83 179.61 1njk n TRP 43 N -4.37 0.00 0.00 3.99 -0.00 -1.00 0.13 117.44 116.18 1njk n TRP 43 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.60 1njk n TRP 43 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.36 1njk n TRP 43 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1njk n THR 45 N 0.23 0.00 -0.17 5.87 -1.04 0.29 -1.47 114.28 117.99 1njk n THR 45 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1njk n THR 45 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1njk n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1njk h ALA 46 N 0.00 0.65 0.00 2.41 0.00 -0.55 -2.52 119.26 119.25 1njk h ALA 46 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1njk h ALA 46 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1njk h ALA 46 CO 0.00 0.43 0.00 0.72 0.00 0.00 0.00 179.25 180.40 1njk n HIS 47 N -4.37 0.00 -3.61 0.00 -0.00 -0.54 -4.85 115.22 101.85 1njk n HIS 47 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.50 1njk n HIS 47 Cb 0.29 -0.08 0.04 0.00 -0.00 0.00 0.00 29.99 30.24 1njk n HIS 47 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1njk n ASN 48 N 0.06 -3.13 -4.02 0.41 5.15 -0.95 -4.97 115.26 107.82 1njk n ASN 48 Ca 0.00 -0.85 -0.20 0.00 -0.60 0.00 0.00 54.58 52.94 1njk n ASN 48 Cb 0.21 -4.10 -0.15 0.00 -0.53 0.00 0.00 39.78 35.20 1njk n ASN 48 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1njk s ILE 49 N -3.57 0.77 0.04 -1.44 1.01 -1.26 -2.91 121.20 113.85 1njk s ILE 49 Ca 0.20 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.51 1njk s ILE 49 Cb -0.05 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 1njk s ILE 49 CO 0.81 0.23 -0.14 0.00 0.00 0.00 0.00 174.94 175.84 1njk s ALA 50 N -0.01 1.14 0.21 9.38 0.00 -1.14 -4.03 121.76 127.30 1njk s ALA 50 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1njk s ALA 50 Cb -0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 1njk s ALA 50 CO 0.00 0.21 0.96 -0.06 0.00 0.00 0.00 175.76 176.87 1njk s PHE 51 N -0.87 3.92 -0.05 0.00 0.08 -1.26 -2.34 117.98 117.46 1njk s PHE 51 Ca 0.01 1.87 -0.01 0.00 0.12 0.00 0.00 56.93 58.92 1njk s PHE 51 Cb -0.08 -3.02 0.03 0.00 -0.57 0.00 0.00 43.02 39.38 1njk s PHE 51 CO 0.01 0.32 0.03 0.08 -0.10 0.00 0.00 175.22 175.56 1njk s VAL 52 N -0.89 0.13 -0.03 -0.44 1.01 -0.69 -4.98 120.40 114.51 1njk s VAL 52 Ca 0.43 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1njk s VAL 52 Cb -0.26 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1njk s VAL 52 CO 0.32 0.21 1.03 -0.69 0.00 0.00 0.00 175.10 175.97 1njk s VAL 53 N 1.91 4.69 -0.02 2.92 1.01 -1.26 -1.32 120.40 128.33 1njk s VAL 53 Ca 0.03 1.95 0.12 0.00 0.00 0.00 0.00 61.98 64.07 1njk s VAL 53 Cb -0.12 -4.25 -0.19 0.00 0.00 0.00 0.00 36.38 31.82 1njk s VAL 53 CO -0.04 0.09 0.27 1.33 0.00 0.00 0.00 175.10 176.75 1njk n VAL 54 N 4.18 0.00 -3.68 2.92 0.24 0.05 -4.98 118.33 117.06 1njk n VAL 54 Ca 0.08 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 61.97 1njk n VAL 54 Cb 0.49 0.23 -0.08 0.00 -1.47 0.00 0.00 33.84 33.01 1njk n VAL 54 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1njk s ASN 55 N -3.38 -0.60 -0.09 -1.34 3.84 -1.07 -5.01 114.94 107.29 1njk s ASN 55 Ca -0.04 1.17 0.01 0.00 0.21 0.00 0.00 52.86 54.20 1njk s ASN 55 Cb 0.08 1.18 0.02 0.00 -0.55 0.00 0.00 41.25 41.98 1njk s ASN 55 CO 0.50 -0.20 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.88 1njk s ILE 56 N 0.31 1.09 -0.33 -5.21 1.01 -1.26 -0.83 121.20 115.97 1njk s ILE 56 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1njk s ILE 56 Cb -0.04 -1.05 0.10 0.00 0.01 0.00 0.00 42.46 41.47 1njk s ILE 56 CO 0.01 0.36 0.04 0.21 0.00 0.00 0.00 174.94 175.57 1njk s ASN 57 N 1.25 4.70 -0.09 3.58 3.04 -0.81 -4.99 114.94 121.62 1njk s ASN 57 Ca -0.03 -2.08 0.03 0.00 0.04 0.00 0.00 52.86 50.82 1njk s ASN 57 Cb -0.14 -1.57 -0.01 0.00 -1.54 0.00 0.00 41.25 37.99 1njk s ASN 57 CO -0.03 -0.37 -0.20 -0.51 -3.04 0.00 0.00 177.10 172.95 1njk s ILE 58 N 0.96 2.51 -0.22 -5.21 2.07 -1.26 -1.46 121.20 118.60 1njk s ILE 58 Ca 0.10 -0.88 -0.09 0.00 -1.41 0.00 0.00 60.65 58.37 1njk s ILE 58 Cb -0.19 -1.98 -0.04 0.00 0.13 0.00 0.00 42.46 40.38 1njk s ILE 58 CO -0.09 0.56 0.11 0.20 -1.91 0.00 0.00 174.94 173.81 1njk s ASN 59 N -0.01 5.82 -0.42 4.50 0.01 0.31 -4.99 114.94 120.16 1njk s ASN 59 Ca -0.06 0.07 -0.14 0.00 -0.71 0.00 0.00 52.86 52.02 1njk s ASN 59 Cb -0.15 -2.03 0.04 0.00 0.41 0.00 0.00 41.25 39.53 1njk s ASN 59 CO 0.05 0.10 0.31 -0.31 -1.51 0.00 0.00 177.10 175.74 1njk s TYR 60 N 0.83 3.25 -0.14 2.20 1.51 -1.26 -2.22 117.35 121.52 1njk s TYR 60 Ca 0.06 -0.86 -0.15 0.00 -1.01 0.00 0.00 57.07 55.10 1njk s TYR 60 Cb -0.13 -2.78 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 1njk s TYR 60 CO 0.02 -0.69 -0.29 0.54 -1.11 0.00 0.00 175.55 174.02 1njk n ARG 61 N 5.12 0.44 -4.22 -0.62 1.74 -0.17 -4.96 116.66 113.99 1njk n ARG 61 Ca -0.12 0.18 -0.34 0.00 -0.77 0.00 0.00 57.85 56.81 1njk n ARG 61 Cb 0.45 -1.28 -0.15 0.00 -1.02 0.00 0.00 32.46 30.47 1njk n ARG 61 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1njk s ARG 62 N -2.66 3.15 0.21 5.56 3.52 -0.68 -5.02 118.95 123.03 1njk s ARG 62 Ca -0.24 -0.76 -0.32 0.00 -0.13 0.00 0.00 55.73 54.28 1njk s ARG 62 Cb 0.03 -2.68 -0.11 0.00 -1.56 0.00 0.00 34.95 30.63 1njk s ARG 62 CO 0.36 -0.13 1.65 -2.14 -0.81 0.00 0.00 175.30 174.24 1njk s PRO 63 N 1.16 4.15 0.15 5.12 0.02 -1.26 -4.43 135.00 139.92 1njk s PRO 63 Ca 0.01 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 1njk s PRO 63 Cb -0.14 -3.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.22 1njk s PRO 63 CO -0.06 -0.69 0.94 0.00 -0.33 0.00 0.00 177.00 176.86 1njk s ALA 64 N 0.96 3.29 0.45 -1.55 0.00 -1.26 -4.95 121.76 118.69 1njk s ALA 64 Ca 0.71 0.57 0.05 0.00 0.00 0.00 0.00 51.96 53.29 1njk s ALA 64 Cb -0.48 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 1njk s ALA 64 CO 0.34 0.07 0.02 0.14 0.00 0.00 0.00 175.76 176.33 1njk s VAL 65 N -0.44 1.72 0.13 0.00 -7.23 -1.26 -1.69 120.40 111.62 1njk s VAL 65 Ca 0.44 -1.99 -0.35 0.00 -1.81 0.00 0.00 61.98 58.28 1njk s VAL 65 Cb -0.24 -2.70 -0.16 0.00 0.56 0.00 0.00 36.38 33.84 1njk s VAL 65 CO 0.30 0.00 1.28 -0.11 -0.31 0.00 0.00 175.10 176.27 1njk n LEU 66 N -1.09 1.72 0.00 1.32 7.94 -1.26 -1.62 117.00 124.01 1njk n LEU 66 Ca -0.10 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 1njk n LEU 66 Cb 0.67 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.40 1njk n LEU 66 CO 0.45 -1.09 0.00 -1.20 -1.11 0.00 0.00 177.39 174.44 1njk n SER 67 N 2.36 0.00 -4.77 1.96 7.64 -0.37 -5.01 113.62 115.43 1njk n SER 67 Ca 0.17 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.64 1njk n SER 67 Cb 0.22 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 1njk n SER 67 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1njk s ASP 68 N -3.35 6.43 -0.41 6.43 1.01 -0.64 -4.66 116.67 121.49 1njk s ASP 68 Ca 0.00 2.94 -0.13 0.00 0.71 0.00 0.00 52.55 56.07 1njk s ASP 68 Cb 0.00 -2.65 0.04 0.00 1.01 0.00 0.00 42.92 41.32 1njk s ASP 68 CO 0.00 -0.83 0.27 -0.22 0.21 0.00 0.00 175.17 174.60 1njk s LEU 69 N -1.36 5.03 -0.01 1.23 2.96 -1.26 -0.72 118.68 124.56 1njk s LEU 69 Ca 0.56 -1.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.19 1njk s LEU 69 Cb -0.46 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 1njk s LEU 69 CO 0.55 -0.47 0.56 -0.76 -1.32 0.00 0.00 176.35 174.91 1njk s LEU 70 N 1.59 4.42 -0.19 -0.68 1.43 0.86 -4.43 118.68 121.68 1njk s LEU 70 Ca 0.03 1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 54.20 1njk s LEU 70 Cb -0.20 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1njk s LEU 70 CO 0.07 0.14 -0.03 -0.89 0.23 0.00 0.00 176.35 175.88 1njk s THR 71 N -0.33 3.73 -0.26 5.49 2.01 0.04 -0.70 115.64 125.63 1njk s THR 71 Ca 0.29 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 1njk s THR 71 Cb -0.18 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1njk s THR 71 CO 0.16 0.44 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.89 1njk s ILE 72 N 0.96 3.26 -0.20 1.82 1.01 0.12 -0.69 121.20 127.48 1njk s ILE 72 Ca 0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1njk s ILE 72 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1njk s ILE 72 CO 0.01 0.19 -0.01 -0.89 0.00 0.00 0.00 174.94 174.24 1njk s THR 73 N 1.40 3.79 0.06 2.92 2.01 0.01 -1.53 115.64 124.28 1njk s THR 73 Ca 0.02 -0.37 0.09 0.00 0.31 0.00 0.00 61.69 61.74 1njk s THR 73 Cb -0.16 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1njk s THR 73 CO -0.02 0.43 -0.26 -0.44 -0.69 0.00 0.00 174.62 173.64 1njk s SER 74 N 1.12 3.09 -0.14 3.53 0.01 -1.26 -0.82 113.70 119.22 1njk s SER 74 Ca 0.02 -0.61 -0.21 0.00 1.31 0.00 0.00 55.95 56.46 1njk s SER 74 Cb -0.14 -0.27 0.05 0.00 0.21 0.00 0.00 66.02 65.87 1njk s SER 74 CO 0.01 0.23 0.54 0.00 0.41 0.00 0.00 173.24 174.43 1njk s GLN 75 N -1.35 0.75 -0.01 12.44 -2.07 -0.51 -4.53 119.66 124.38 1njk s GLN 75 Ca 0.11 0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 53.84 1njk s GLN 75 Cb -0.10 0.36 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 1njk s GLN 75 CO 0.03 -0.15 1.52 -1.17 -1.32 0.00 0.00 175.29 174.19 1njk s LEU 76 N -0.32 4.32 -0.20 2.60 2.96 -1.26 -1.15 118.68 125.62 1njk s LEU 76 Ca -0.05 2.21 -0.18 0.00 -0.22 0.00 0.00 54.13 55.89 1njk s LEU 76 Cb -0.03 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.91 1njk s LEU 76 CO 0.03 -0.82 0.16 1.67 -1.32 0.00 0.00 176.35 176.08 1njk n GLN 77 N 5.95 0.60 -3.71 1.98 7.27 0.72 -4.90 117.38 125.29 1njk n GLN 77 Ca 0.15 0.49 -0.11 0.00 0.07 0.00 0.00 57.00 57.60 1njk n GLN 77 Cb 0.43 -1.71 -0.06 0.00 2.41 0.00 0.00 30.24 31.31 1njk n GLN 77 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1njk s GLN 78 N -2.41 0.96 -0.25 3.69 -0.21 -0.99 -4.98 119.66 115.47 1njk s GLN 78 Ca -0.29 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 1njk s GLN 78 Cb 0.07 0.42 0.08 0.00 1.00 0.00 0.00 33.01 34.58 1njk s GLN 78 CO 0.61 -0.35 0.07 -0.51 -2.12 0.00 0.00 175.29 172.99 1njk s LEU 79 N -2.60 1.41 -0.08 2.90 1.43 -1.26 -0.86 118.68 119.62 1njk s LEU 79 Ca 0.01 -1.16 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 1njk s LEU 79 Cb 0.02 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1njk s LEU 79 CO -0.09 -0.36 -0.15 0.20 0.23 0.00 0.00 176.35 176.17 1njk s ASN 80 N 1.82 3.93 0.00 2.29 0.01 0.16 -5.00 114.94 118.16 1njk s ASN 80 Ca 0.04 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 1njk s ASN 80 Cb -0.17 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.40 1njk s ASN 80 CO -0.18 0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 1njk n GLY 81 N 2.76 0.00 0.19 0.66 0.00 -1.26 0.14 105.19 107.68 1njk n GLY 81 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1njk n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1njk n LYS 82 N 0.00 0.98 -3.73 1.61 5.02 -1.26 0.26 118.16 121.05 1njk n LYS 82 Ca 0.00 -1.72 -0.10 0.00 -2.02 0.00 0.00 58.31 54.47 1njk n LYS 82 Cb 0.00 -1.01 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1njk n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1njk s SER 83 N -1.73 -0.11 0.18 4.39 1.04 0.37 -4.49 113.70 113.35 1njk s SER 83 Ca 0.14 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1njk s SER 83 Cb 0.12 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1njk s SER 83 CO 0.01 -0.76 0.02 -0.83 0.98 0.00 0.00 173.24 172.67 1njk s GLY 84 N -2.62 1.28 -0.09 7.32 0.00 0.13 0.38 107.32 113.72 1njk s GLY 84 Ca 0.01 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1njk s GLY 84 CO -0.09 -1.52 -0.07 -0.42 0.00 0.00 0.00 173.10 170.99 1njk s ILE 85 N -3.71 0.91 -0.16 0.90 1.01 -0.04 -0.80 121.20 119.31 1njk s ILE 85 Ca 0.26 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 1njk s ILE 85 Cb 0.06 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1njk s ILE 85 CO 0.05 0.33 -0.01 -0.22 0.00 0.00 0.00 174.94 175.09 1njk s LEU 86 N 1.37 3.40 -0.07 2.97 2.96 0.19 -0.20 118.68 129.29 1njk s LEU 86 Ca -0.02 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 1njk s LEU 86 Cb -0.14 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1njk s LEU 86 CO -0.04 0.18 0.29 -0.55 -1.32 0.00 0.00 176.35 174.91 1njk s SER 87 N 0.31 6.59 -0.06 3.68 0.15 -0.30 0.35 113.70 124.42 1njk s SER 87 Ca -0.02 0.70 -0.01 0.00 0.70 0.00 0.00 55.95 57.32 1njk s SER 87 Cb -0.14 -2.17 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1njk s SER 87 CO 0.02 0.32 0.00 -1.10 1.20 0.00 0.00 173.24 173.68 1njk s GLN 88 N -0.78 0.51 -0.11 5.44 -0.21 -0.30 -1.42 119.66 122.80 1njk s GLN 88 Ca 0.19 0.11 0.03 0.00 0.02 0.00 0.00 55.36 55.72 1njk s GLN 88 Cb -0.14 -0.84 -0.00 0.00 1.00 0.00 0.00 33.01 33.02 1njk s GLN 88 CO 0.08 -0.26 -0.23 0.08 -2.12 0.00 0.00 175.29 172.84 1njk s VAL 89 N 1.77 2.16 -0.24 1.09 1.01 -0.00 -0.59 120.40 125.60 1njk s VAL 89 Ca 0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1njk s VAL 89 Cb -0.13 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1njk s VAL 89 CO -0.04 0.56 0.05 -0.63 0.00 0.00 0.00 175.10 175.04 1njk s ILE 90 N 0.39 4.26 0.22 2.22 1.01 0.91 -0.81 121.20 129.40 1njk s ILE 90 Ca -0.17 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1njk s ILE 90 Cb -0.18 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1njk s ILE 90 CO 0.08 0.36 -0.00 0.42 0.00 0.00 0.00 174.94 175.80 1njk s THR 91 N 1.42 1.00 -0.31 2.92 -4.23 0.13 -0.62 115.64 115.95 1njk s THR 91 Ca 0.05 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 1njk s THR 91 Cb -0.15 -2.32 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 1njk s THR 91 CO 0.03 -0.34 0.14 -0.76 -0.54 0.00 0.00 174.62 173.15 1njk s LEU 92 N -3.29 4.09 0.14 4.79 1.43 -0.63 -0.78 118.68 124.44 1njk s LEU 92 Ca 0.28 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1njk s LEU 92 Cb 0.06 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1njk s LEU 92 CO 0.08 -0.21 0.22 -1.61 0.23 0.00 0.00 176.35 175.07 1njk s GLU 93 N 1.59 3.25 0.00 1.70 0.41 -1.26 0.70 118.70 125.08 1njk s GLU 93 Ca 0.04 -0.67 0.28 0.00 -0.41 0.00 0.00 54.97 54.21 1njk s GLU 93 Cb -0.17 -2.86 1.16 0.00 -1.78 0.00 0.00 34.13 30.48 1njk s GLU 93 CO 0.05 0.52 1.82 -0.35 -0.49 0.00 0.00 175.26 176.81 1njk n PRO 94 N -0.38 0.64 -0.35 0.39 -0.04 -1.26 -4.84 135.00 129.16 1njk n PRO 94 Ca -0.07 -0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.20 1njk n PRO 94 Cb 0.54 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 1njk n PRO 94 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1njk h GLU 95 N 0.57 1.01 0.00 0.54 3.07 -2.01 -3.46 114.58 114.30 1njk h GLU 95 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1njk h GLU 95 Cb 0.38 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1njk h GLU 95 CO 0.00 0.67 0.00 0.41 -1.40 0.00 0.00 179.01 178.69 1njk n GLY 96 N -1.35 0.77 3.77 -3.84 0.00 0.22 -5.04 105.19 99.72 1njk n GLY 96 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1njk n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1njk s GLN 97 N -0.55 4.14 -0.36 1.61 1.11 -1.19 -4.70 119.66 119.72 1njk s GLN 97 Ca 0.00 2.54 -0.21 0.00 0.01 0.00 0.00 55.36 57.69 1njk s GLN 97 Cb 0.00 -2.99 0.00 0.00 -1.01 0.00 0.00 33.01 29.01 1njk s GLN 97 CO 0.00 -0.52 0.68 0.08 0.01 0.00 0.00 175.29 175.54 1njk s VAL 98 N -0.90 4.85 -0.12 1.09 1.01 -1.26 -1.60 120.40 123.46 1njk s VAL 98 Ca 0.54 0.68 -0.28 0.00 0.00 0.00 0.00 61.98 62.92 1njk s VAL 98 Cb -0.46 -4.11 -0.26 0.00 0.00 0.00 0.00 36.38 31.55 1njk s VAL 98 CO 0.59 -0.34 0.83 0.58 0.00 0.00 0.00 175.10 176.76 1njk h VAL 99 N 5.69 1.74 -2.61 2.92 2.07 -1.08 -3.11 116.25 121.87 1njk h VAL 99 Ca -0.26 -2.24 0.07 0.00 0.82 0.00 0.00 66.70 65.09 1njk h VAL 99 Cb 1.11 3.25 -0.12 0.00 -1.52 0.00 0.00 31.29 34.01 1njk h VAL 99 CO 0.86 0.59 0.37 0.00 0.02 0.00 0.00 177.57 179.40 1njk s ALA 100 N -2.45 -1.65 -0.03 1.67 0.00 -1.13 -1.00 121.76 117.17 1njk s ALA 100 Ca -0.18 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.13 1njk s ALA 100 Cb -0.02 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.79 1njk s ALA 100 CO 0.70 -0.82 0.40 0.16 0.00 0.00 0.00 175.76 176.21 1njk s ASP 101 N -2.70 -0.31 0.05 0.00 -4.77 -0.94 -0.06 116.67 107.93 1njk s ASP 101 Ca 0.06 0.27 -0.12 0.00 -3.30 0.00 0.00 52.55 49.46 1njk s ASP 101 Cb -0.02 0.40 0.01 0.00 -1.09 0.00 0.00 42.92 42.22 1njk s ASP 101 CO -0.07 -0.47 0.25 0.00 0.70 0.00 0.00 175.17 175.59 1njk s ALA 102 N -1.21 -0.53 -0.18 2.11 0.00 0.25 -0.53 121.76 121.67 1njk s ALA 102 Ca -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1njk s ALA 102 Cb -0.04 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1njk s ALA 102 CO 0.05 -0.40 -0.08 -0.51 0.00 0.00 0.00 175.76 174.83 1njk s LEU 103 N -2.12 2.85 -0.38 0.00 1.43 -0.53 -1.15 118.68 118.78 1njk s LEU 103 Ca -0.04 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1njk s LEU 103 Cb -0.01 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.58 1njk s LEU 103 CO -0.04 0.07 0.18 -0.63 0.23 0.00 0.00 176.35 176.15 1njk s ILE 104 N 0.94 3.98 -0.11 -0.59 1.09 0.15 -1.93 121.20 124.73 1njk s ILE 104 Ca -0.01 -1.27 -0.19 0.00 -1.10 0.00 0.00 60.65 58.08 1njk s ILE 104 Cb -0.15 -3.35 -0.04 0.00 -1.06 0.00 0.00 42.46 37.86 1njk s ILE 104 CO 0.00 -0.34 0.52 -0.89 -0.10 0.00 0.00 174.94 174.14 1njk s THR 105 N 1.41 5.16 0.19 2.92 2.01 -0.01 -0.64 115.64 126.68 1njk s THR 105 Ca 0.01 1.05 0.01 0.00 0.31 0.00 0.00 61.69 63.07 1njk s THR 105 Cb -0.21 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1njk s THR 105 CO 0.02 0.30 0.04 0.72 -0.69 0.00 0.00 174.62 175.02 1njk s PHE 106 N 0.73 1.26 0.17 4.92 -0.12 0.02 -0.77 117.98 124.19 1njk s PHE 106 Ca 0.28 -1.12 0.01 0.00 -0.05 0.00 0.00 56.93 56.06 1njk s PHE 106 Cb -0.16 -0.72 -0.05 0.00 -0.63 0.00 0.00 43.02 41.47 1njk s PHE 106 CO 0.12 -0.31 0.03 0.14 -0.05 0.00 0.00 175.22 175.14 1njk s VAL 107 N -3.77 0.52 -0.32 -2.49 -7.23 -0.43 -0.69 120.40 106.00 1njk s VAL 107 Ca 0.29 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1njk s VAL 107 Cb 0.07 -2.17 0.09 0.00 0.56 0.00 0.00 36.38 34.92 1njk s VAL 107 CO 0.07 -0.41 0.00 0.00 -0.31 0.00 0.00 175.10 174.46 1njk s ILE 109 N 0.98 5.03 -0.59 0.00 -4.36 -0.99 -0.30 121.20 120.96 1njk s ILE 109 Ca 0.05 0.76 -0.28 0.00 -0.26 0.00 0.00 60.65 60.92 1njk s ILE 109 Cb -0.19 -3.70 0.01 0.00 1.25 0.00 0.00 42.46 39.83 1njk s ILE 109 CO -0.07 0.49 1.44 -0.62 0.24 0.00 0.00 174.94 176.42 1njk s ASP 110 N -1.28 6.04 0.56 4.36 -1.08 -0.63 -2.91 116.67 121.73 1njk s ASP 110 Ca 0.27 0.17 0.45 0.00 -0.52 0.00 0.00 52.55 52.93 1njk s ASP 110 Cb -0.16 -2.55 1.66 0.00 -1.46 0.00 0.00 42.92 40.42 1njk s ASP 110 CO 0.15 -1.80 1.65 -0.07 0.52 0.00 0.00 175.17 175.61 1njk h LEU 111 N 13.44 0.00 0.00 -1.34 4.07 -1.87 1.93 115.31 131.54 1njk h LEU 111 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1njk h LEU 111 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1njk h LEU 111 CO 1.20 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 178.85 1njk n LYS 112 N -4.00 0.00 0.17 1.13 5.02 -1.26 -3.97 118.16 115.25 1njk n LYS 112 Ca 0.38 0.47 0.13 0.00 -2.02 0.00 0.00 58.31 57.27 1njk n LYS 112 Cb 1.75 -1.08 0.55 0.00 -0.02 0.00 0.00 35.03 36.22 1njk n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1njk h THR 113 N 0.00 0.00 -6.04 -0.18 1.03 -1.88 -3.46 112.91 102.37 1njk h THR 113 Ca 0.00 -0.28 -0.45 0.00 -0.01 0.00 0.00 66.41 65.67 1njk h THR 113 Cb 0.00 1.07 0.01 0.00 -1.07 0.00 0.00 68.15 68.16 1njk h THR 113 CO 0.00 0.00 -0.72 1.67 -0.01 0.00 0.00 175.52 176.46 1njk n GLN 114 N -2.44 -6.09 -4.38 0.00 7.27 0.65 -4.98 117.38 107.41 1njk n GLN 114 Ca 0.02 0.67 -0.25 0.00 0.07 0.00 0.00 57.00 57.51 1njk n GLN 114 Cb 0.24 -5.61 -0.13 0.00 2.41 0.00 0.00 30.24 27.15 1njk n GLN 114 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1njk s LYS 115 N -6.47 1.21 0.04 3.69 1.02 -1.24 -4.83 119.74 113.17 1njk s LYS 115 Ca 0.62 -1.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.17 1njk s LYS 115 Cb -0.30 -1.47 -0.08 0.00 -0.52 0.00 0.00 37.83 35.45 1njk s LYS 115 CO 0.76 0.35 1.80 0.00 -0.92 0.00 0.00 175.35 177.34 1njk s ALA 116 N -1.07 3.65 0.44 5.17 0.00 -1.26 -1.60 121.76 127.09 1njk s ALA 116 Ca 0.07 1.24 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 1njk s ALA 116 Cb -0.10 -3.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.16 1njk s ALA 116 CO 0.04 -1.35 0.89 -0.51 0.00 0.00 0.00 175.76 174.83 1njk s LEU 117 N 3.58 3.82 0.16 0.00 1.43 0.59 -4.94 118.68 123.30 1njk s LEU 117 Ca 0.80 1.47 -0.31 0.00 -1.03 0.00 0.00 54.13 55.06 1njk s LEU 117 Cb -0.41 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 41.37 1njk s LEU 117 CO 0.36 -0.43 1.44 0.00 0.23 0.00 0.00 176.35 177.95 1njk s ALA 118 N -2.36 3.65 -0.77 4.21 0.00 -1.26 -4.56 121.76 120.67 1njk s ALA 118 Ca 0.57 1.23 0.26 0.00 0.00 0.00 0.00 51.96 54.03 1njk s ALA 118 Cb -0.10 -3.56 0.88 0.00 0.00 0.00 0.00 23.12 20.34 1njk s ALA 118 CO 0.24 -0.67 1.80 1.28 0.00 0.00 0.00 175.76 178.41 1njk n LEU 119 N 3.59 0.68 0.13 0.00 4.77 0.14 -3.77 117.00 122.54 1njk n LEU 119 Ca 0.11 0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 56.54 1njk n LEU 119 Cb 0.41 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1njk n LEU 119 CO 0.60 -0.16 0.41 -0.08 -1.33 0.00 0.00 177.39 176.82 1njk h GLU 120 N 0.00 -0.37 0.00 3.23 4.81 -1.90 -0.74 114.58 119.61 1njk h GLU 120 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1njk h GLU 120 Cb 0.69 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1njk h GLU 120 CO 0.00 -0.03 0.00 0.41 -0.73 0.00 0.00 179.01 178.66 1njk n GLY 121 N 0.19 0.00 0.00 1.92 0.00 -1.25 -4.21 105.19 101.85 1njk n GLY 121 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1njk n GLY 121 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1njk n GLU 122 N 0.00 0.00 0.03 1.61 1.02 -1.26 -4.85 120.64 117.19 1njk n GLU 122 Ca 0.00 -0.38 -0.08 0.00 -0.02 0.00 0.00 57.16 56.68 1njk n GLU 122 Cb 0.00 -0.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.79 1njk n GLU 122 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1njk h LEU 123 N 0.00 0.02 -0.50 -4.62 4.07 -1.73 -3.39 115.31 109.16 1njk h LEU 123 Ca 0.00 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.01 1njk h LEU 123 Cb 0.88 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.52 1njk h LEU 123 CO 0.00 1.02 -0.48 0.03 -1.08 0.00 0.00 178.44 177.93 1njk h ARG 124 N 0.00 -0.29 -0.48 1.13 3.08 -1.31 0.72 114.38 117.24 1njk h ARG 124 Ca -0.13 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.01 1njk h ARG 124 Cb 1.88 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 31.90 1njk h ARG 124 CO 0.11 -0.19 -0.50 0.93 -1.07 0.00 0.00 179.97 179.24 1njk h GLU 125 N -0.30 -0.31 -0.07 0.04 5.08 -1.88 0.23 114.58 117.36 1njk h GLU 125 Ca 0.13 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1njk h GLU 125 Cb 0.58 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1njk h GLU 125 CO -0.64 -0.21 -0.27 1.57 -1.00 0.00 0.00 179.01 178.46 1njk h LYS 126 N -0.33 0.12 -1.00 2.33 2.10 -1.67 -2.07 116.57 116.05 1njk h LYS 126 Ca 0.12 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.71 1njk h LYS 126 Cb 0.58 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 1njk h LYS 126 CO -0.63 0.39 0.02 1.28 -2.00 0.00 0.00 179.45 178.51 1njk n LEU 127 N -4.18 3.04 0.00 7.07 4.77 0.25 -3.23 117.00 124.72 1njk n LEU 127 Ca -0.02 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1njk n LEU 127 Cb 0.35 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1njk n LEU 127 CO 0.39 0.51 0.00 -0.62 -1.33 0.00 0.00 177.39 176.33 1njk n GLU 128 N 0.43 0.00 -1.67 3.23 1.02 -0.79 -4.90 120.64 117.96 1njk n GLU 128 Ca 0.02 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 1njk n GLU 128 Cb 0.53 -0.31 -0.01 0.00 -0.02 0.00 0.00 31.44 31.62 1njk n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1njk n GLN 129 N -0.66 3.85 0.00 3.49 10.64 -0.85 -4.61 117.38 129.24 1njk n GLN 129 Ca 0.00 -2.76 0.00 0.00 -1.83 0.00 0.00 57.00 52.41 1njk n GLN 129 Cb 0.00 -2.83 0.00 0.00 -0.86 0.00 0.00 30.24 26.55 1njk n GLN 129 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1njk n VAL 131 N 3.20 0.00 -0.46 -0.39 0.31 -1.26 -4.93 118.33 114.80 1njk n VAL 131 Ca 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 65.00 1njk n VAL 131 Cb 0.27 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1njk n VAL 131 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80