#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njk n GLN 2 N 0.00 0.00 -3.89 1.57 6.02 -1.26 -4.79 117.38 115.04 1njk n GLN 2 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1njk n GLN 2 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 1njk n GLN 2 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1njk s THR 3 N -1.32 0.04 0.03 5.09 2.01 -0.50 -4.98 115.64 116.01 1njk s THR 3 Ca 0.00 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.72 1njk s THR 3 Cb 0.00 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1njk s THR 3 CO 0.00 -0.20 -0.22 -1.10 -0.69 0.00 0.00 174.62 172.42 1njk s GLN 4 N -0.60 1.99 -0.03 4.92 -0.21 -1.26 0.35 119.66 124.82 1njk s GLN 4 Ca -0.07 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.31 1njk s GLN 4 Cb -0.04 -2.11 0.02 0.00 1.00 0.00 0.00 33.01 31.88 1njk s GLN 4 CO 0.00 0.54 -0.02 0.42 -2.12 0.00 0.00 175.29 174.10 1njk s ILE 5 N -0.84 0.35 -0.14 1.08 1.01 0.57 -4.97 121.20 118.25 1njk s ILE 5 Ca 0.13 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 1njk s ILE 5 Cb -0.10 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1njk s ILE 5 CO 0.03 0.17 0.47 -0.75 0.00 0.00 0.00 174.94 174.86 1njk s LYS 6 N 0.82 4.29 -0.07 2.79 2.47 -1.26 -0.34 119.74 128.44 1njk s LYS 6 Ca -0.09 0.40 -0.30 0.00 -1.56 0.00 0.00 55.97 54.42 1njk s LYS 6 Cb -0.13 -3.47 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 1njk s LYS 6 CO -0.01 0.08 1.14 0.08 0.16 0.00 0.00 175.35 176.81 1njk s VAL 7 N 0.88 4.42 0.43 4.02 1.01 0.01 -4.97 120.40 126.19 1njk s VAL 7 Ca 0.24 1.72 0.07 0.00 0.00 0.00 0.00 61.98 64.02 1njk s VAL 7 Cb -0.15 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1njk s VAL 7 CO 0.09 0.00 0.22 -0.13 0.00 0.00 0.00 175.10 175.28 1njk s ARG 8 N 2.15 2.27 0.39 2.72 1.81 -1.26 -1.14 118.95 125.89 1njk s ARG 8 Ca 0.53 -1.84 0.10 0.00 -1.72 0.00 0.00 55.73 52.80 1njk s ARG 8 Cb -0.23 -2.03 0.88 0.00 -0.45 0.00 0.00 34.95 33.13 1njk s ARG 8 CO 0.21 -0.18 1.96 0.78 -0.68 0.00 0.00 175.30 177.39 1njk h GLY 9 N 1.31 0.82 1.62 -3.53 0.00 -1.98 -1.94 103.07 99.38 1njk h GLY 9 Ca -0.42 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1njk h GLY 9 CO 0.67 0.15 0.00 1.58 0.00 0.00 0.00 176.54 178.95 1njk n TYR 10 N -4.49 0.00 0.14 5.60 0.18 -1.26 -2.77 117.16 114.57 1njk n TYR 10 Ca 0.11 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.00 1njk n TYR 10 Cb 0.32 -0.31 0.06 0.00 -0.38 0.00 0.00 39.34 39.03 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 -3.84 -3.48 3.86 -1.76 -3.47 115.15 106.46 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 0.27 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.79 1njk h HIS 11 CO 0.00 0.06 0.22 -0.51 0.86 0.00 0.00 177.93 178.56 1njk s LEU 12 N -5.74 3.34 0.00 2.43 1.43 -1.11 -1.94 118.68 117.09 1njk s LEU 12 Ca 0.02 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1njk s LEU 12 Cb 0.08 -3.87 -0.00 0.00 0.03 0.00 0.00 46.19 42.42 1njk s LEU 12 CO 0.75 -0.89 0.01 -0.90 0.23 0.00 0.00 176.35 175.55 1njk n ASP 13 N -2.54 2.14 -0.22 2.29 5.68 -0.81 -4.72 116.55 118.35 1njk n ASP 13 Ca 0.04 -1.61 0.31 0.00 -0.50 0.00 0.00 54.79 53.03 1njk n ASP 13 Cb 0.56 0.13 0.68 0.00 -1.14 0.00 0.00 41.12 41.35 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 1.09 0.25 -0.10 2.12 3.04 -1.99 0.33 116.25 120.99 1njk h VAL 14 Ca -0.11 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1njk h VAL 14 Cb 0.35 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1njk h VAL 14 CO 0.18 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.52 1njk n TYR 15 N -3.79 0.13 -2.17 3.17 4.02 -1.26 -4.91 117.16 112.35 1njk n TYR 15 Ca 0.22 -0.06 -0.17 0.00 -0.01 0.00 0.00 57.90 57.88 1njk n TYR 15 Cb 1.23 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.53 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 -0.08 -1.32 -4.25 -0.72 1.13 0.12 -5.00 117.38 107.25 1njk n GLN 16 Ca 0.15 0.87 -0.16 0.00 -1.94 0.00 0.00 57.00 55.93 1njk n GLN 16 Cb 0.23 -5.28 -0.10 0.00 0.11 0.00 0.00 30.24 25.20 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 -2.81 1.34 0.28 1.08 3.76 -1.26 -4.51 115.29 113.18 1njk s HIS 17 Ca 0.00 -0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 53.94 1njk s HIS 17 Cb 0.00 -0.68 -0.12 0.00 1.11 0.00 0.00 32.58 32.89 1njk s HIS 17 CO 0.00 0.13 1.59 0.28 -0.85 0.00 0.00 174.74 175.89 1njk n VAL 18 N 0.04 0.94 -2.03 -0.90 0.31 -0.32 -1.93 118.33 114.43 1njk n VAL 18 Ca -0.12 -0.23 -0.39 0.00 -0.01 0.00 0.00 64.34 63.58 1njk n VAL 18 Cb 0.59 -1.92 -0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 0.53 6.22 0.25 4.52 2.47 -0.82 -4.83 114.94 123.29 1njk s ASN 19 Ca 0.65 2.66 -0.03 0.00 0.42 0.00 0.00 52.86 56.56 1njk s ASN 19 Cb -0.51 -2.64 0.49 0.00 -1.45 0.00 0.00 41.25 37.14 1njk s ASN 19 CO 0.47 -0.91 1.71 0.78 -3.72 0.00 0.00 177.10 175.44 1njk h ASN 20 N 2.56 0.22 0.19 -4.21 2.35 -1.93 -0.75 115.58 114.01 1njk h ASN 20 Ca -0.50 0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.27 1njk h ASN 20 Cb 1.25 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 1njk h ASN 20 CO 0.62 0.06 -0.38 0.00 -1.65 0.00 0.00 177.43 176.08 1njk h ALA 21 N 1.58 1.13 -0.12 -0.83 0.00 -1.99 -3.06 119.26 115.97 1njk h ALA 21 Ca 0.43 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1njk h ALA 21 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1njk h ALA 21 CO -0.44 0.57 -0.04 -0.09 0.00 0.00 0.00 179.25 179.25 1njk h ARG 22 N 0.22 0.18 -0.10 0.00 9.65 -1.48 -1.62 114.38 121.23 1njk h ARG 22 Ca 0.02 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1njk h ARG 22 Cb 0.77 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1njk h ARG 22 CO 0.06 0.24 0.01 1.88 2.80 0.00 0.00 179.97 184.95 1njk h TYR 23 N 0.18 0.13 -0.04 2.20 -1.99 -1.42 -1.17 116.97 114.86 1njk h TYR 23 Ca 0.04 -0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 1njk h TYR 23 Cb 0.19 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1njk h TYR 23 CO 0.00 0.14 -0.42 -0.07 -0.00 0.00 0.00 178.16 177.82 1njk h LEU 24 N 0.14 0.08 -0.40 3.88 4.07 -1.43 -1.02 115.31 120.63 1njk h LEU 24 Ca 0.03 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1njk h LEU 24 Cb 0.09 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1njk h LEU 24 CO 0.00 0.49 -0.21 -0.33 -1.08 0.00 0.00 178.44 177.32 1njk h GLU 25 N 0.07 0.85 -0.59 1.13 5.08 -1.26 -0.49 114.58 119.36 1njk h GLU 25 Ca 0.00 -0.38 0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1njk h GLU 25 Cb 0.77 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1njk h GLU 25 CO 0.06 1.02 0.35 0.74 -1.00 0.00 0.00 179.01 180.18 1njk h PHE 26 N 0.66 0.66 -0.51 4.33 0.04 -0.98 0.92 116.94 122.06 1njk h PHE 26 Ca 0.09 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.78 1njk h PHE 26 Cb 0.77 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1njk h PHE 26 CO 0.06 0.37 -0.09 -0.07 -0.60 0.00 0.00 178.31 177.98 1njk h LEU 27 N 0.69 0.92 -0.54 1.54 3.38 -1.04 -2.13 115.31 118.14 1njk h LEU 27 Ca 0.24 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1njk h LEU 27 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1njk h LEU 27 CO -0.11 1.03 -0.02 -0.08 0.09 0.00 0.00 178.44 179.36 1njk h GLU 28 N 0.84 0.96 -0.65 1.13 4.81 -0.60 -2.16 114.58 118.92 1njk h GLU 28 Ca 0.14 -0.31 0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1njk h GLU 28 Cb 0.62 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1njk h GLU 28 CO 0.04 0.98 0.33 1.49 -0.73 0.00 0.00 179.01 181.12 1njk h GLU 29 N 0.84 0.57 -0.33 1.92 4.57 -0.66 -0.40 114.58 121.09 1njk h GLU 29 Ca 0.15 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1njk h GLU 29 Cb 0.56 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1njk h GLU 29 CO 0.03 0.38 0.03 0.00 -1.18 0.00 0.00 179.01 178.27 1njk h ALA 30 N 1.37 1.45 -0.15 2.92 0.00 -1.05 -0.90 119.26 122.89 1njk h ALA 30 Ca 0.30 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1njk h ALA 30 Cb 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1njk h ALA 30 CO -0.22 0.39 -0.63 0.00 0.00 0.00 0.00 179.25 178.79 1njk h ARG 31 N 0.48 0.70 -0.35 0.00 3.08 -0.56 -2.39 114.38 115.32 1njk h ARG 31 Ca 0.11 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 1njk h ARG 31 Cb 0.26 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1njk h ARG 31 CO 0.00 1.16 0.15 -1.49 -1.07 0.00 0.00 179.97 178.73 1njk h TRP 32 N 0.39 0.53 -0.65 3.04 4.06 -0.86 -0.44 115.95 122.01 1njk h TRP 32 Ca -0.03 -0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.97 1njk h TRP 32 Cb 1.26 -0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 29.19 1njk h TRP 32 CO 0.10 0.47 0.30 0.22 -3.56 0.00 0.00 178.44 175.96 1njk h ASP 33 N 0.43 0.36 1.23 -3.49 3.58 -1.19 0.18 116.42 117.53 1njk h ASP 33 Ca 0.12 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 1njk h ASP 33 Cb 0.16 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1njk h ASP 33 CO -0.01 0.21 -0.33 1.23 -2.88 0.00 0.00 179.24 177.47 1njk h GLY 34 N 0.52 0.00 1.64 -0.78 0.00 -1.22 -3.27 103.07 99.95 1njk h GLY 34 Ca 0.32 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.41 1njk h GLY 34 CO -0.27 0.00 -1.25 1.41 0.00 0.00 0.00 176.54 176.43 1njk h LEU 35 N 0.00 0.01-10.13 3.11 -0.00 0.24 -3.45 115.31 105.09 1njk h LEU 35 Ca -0.00 -0.02 -0.53 0.00 -0.00 0.00 0.00 57.88 57.33 1njk h LEU 35 Cb 1.03 -0.00 0.12 0.00 -0.00 0.00 0.00 40.66 41.81 1njk h LEU 35 CO 0.04 1.01 0.44 -1.83 -0.00 0.00 0.00 178.44 178.11 1njk s GLU 36 N -2.67 2.74 -1.83 1.13 -1.05 0.52 -2.69 118.70 114.85 1njk s GLU 36 Ca -0.01 1.77 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 1njk s GLU 36 Cb 0.09 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.88 1njk s GLU 36 CO 0.82 -1.37 0.00 -1.71 0.95 0.00 0.00 175.26 173.95 1njk n ASN 37 N -1.97 -5.86 -4.29 0.83 4.05 -1.26 -4.96 115.26 101.80 1njk n ASN 37 Ca 0.13 0.04 -0.37 0.00 0.45 0.00 0.00 54.58 54.83 1njk n ASN 37 Cb 0.50 -4.91 -0.13 0.00 1.23 0.00 0.00 39.78 36.47 1njk n ASN 37 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1njk s SER 38 N -2.13 5.17 0.57 1.20 0.15 -1.09 -4.95 113.70 112.63 1njk s SER 38 Ca 0.00 -0.97 0.26 0.00 0.70 0.00 0.00 55.95 55.94 1njk s SER 38 Cb 0.00 -1.86 1.67 0.00 -1.71 0.00 0.00 66.02 64.13 1njk s SER 38 CO 0.00 -0.26 2.21 -0.78 1.20 0.00 0.00 173.24 175.61 1njk h ASP 39 N 8.21 0.00 1.27 5.45 1.82 -1.93 0.18 116.42 131.42 1njk h ASP 39 Ca -0.27 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.26 1njk h ASP 39 Cb 1.10 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 1njk h ASP 39 CO 0.60 0.00 -0.56 0.28 -1.61 0.00 0.00 179.24 177.95 1njk h SER 40 N 0.00 0.00 0.00 2.28 0.02 -1.92 -3.04 113.55 110.89 1njk h SER 40 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1njk h SER 40 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1njk h SER 40 CO -0.00 0.56 0.00 0.33 -1.14 0.00 0.00 176.83 176.58 1njk n PHE 41 N -3.31 0.00 0.08 3.45 -0.00 0.63 -2.81 117.46 115.50 1njk n PHE 41 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.50 1njk n PHE 41 Cb 0.72 -0.33 0.21 0.00 -0.00 0.00 0.00 39.48 40.08 1njk n PHE 41 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1njk n GLN 42 N -1.49 0.05 -0.17 -4.13 7.27 -1.15 -3.85 117.38 113.90 1njk n GLN 42 Ca 0.00 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1njk n GLN 42 Cb 0.00 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 30.83 1njk n GLN 42 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1njk n TRP 43 N -1.73 0.00 0.00 3.69 -0.00 -1.12 -3.34 117.44 114.94 1njk n TRP 43 Ca -0.01 -0.50 0.00 0.00 -0.00 0.00 0.00 57.50 57.00 1njk n TRP 43 Cb 0.16 -0.31 0.00 0.00 -0.00 0.00 0.00 31.31 31.16 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 1.20 0.00 0.26 5.87 -1.04 -1.22 -4.70 114.28 114.65 1njk n THR 45 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 1njk n THR 45 Cb 0.33 0.00 0.88 0.00 -1.82 0.00 0.00 70.33 69.72 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 1.64 -0.36 2.41 0.00 -1.89 0.26 119.26 121.31 1njk h ALA 46 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1njk h ALA 46 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1njk h ALA 46 CO 0.00 -0.14 0.00 0.72 0.00 0.00 0.00 179.25 179.83 1njk n HIS 47 N -3.80 0.56 -0.81 0.00 8.25 -1.26 -4.87 115.22 113.28 1njk n HIS 47 Ca -0.01 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1njk n HIS 47 Cb 0.19 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1njk n HIS 47 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1njk n ASN 48 N 0.56 -3.74 -4.70 0.41 4.13 0.90 -4.68 115.26 108.13 1njk n ASN 48 Ca 0.13 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.99 1njk n ASN 48 Cb 0.36 -3.12 -0.05 0.00 -1.54 0.00 0.00 39.78 35.42 1njk n ASN 48 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1njk s ILE 49 N -1.00 5.09 0.21 2.41 1.01 -1.26 -2.79 121.20 124.86 1njk s ILE 49 Ca 0.00 1.23 0.01 0.00 0.00 0.00 0.00 60.65 61.89 1njk s ILE 49 Cb 0.00 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1njk s ILE 49 CO 0.00 0.24 0.05 0.00 0.00 0.00 0.00 174.94 175.23 1njk s ALA 50 N 1.01 1.48 -0.02 9.38 0.00 -1.16 -3.44 121.76 129.01 1njk s ALA 50 Ca 0.32 -1.70 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 1njk s ALA 50 Cb -0.16 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 1njk s ALA 50 CO 0.14 -0.39 0.59 -0.06 0.00 0.00 0.00 175.76 176.03 1njk s PHE 51 N -3.73 3.67 -0.10 0.00 0.08 -1.26 -2.40 117.98 114.24 1njk s PHE 51 Ca 0.30 1.17 -0.00 0.00 0.12 0.00 0.00 56.93 58.52 1njk s PHE 51 Cb 0.07 -2.60 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 1njk s PHE 51 CO 0.08 0.33 -0.06 0.08 -0.10 0.00 0.00 175.22 175.56 1njk s VAL 52 N -0.11 0.86 -0.06 -0.44 1.01 -0.62 -4.97 120.40 116.07 1njk s VAL 52 Ca 0.31 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 1njk s VAL 52 Cb -0.18 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1njk s VAL 52 CO 0.17 0.34 0.89 -0.69 0.00 0.00 0.00 175.10 175.80 1njk s VAL 53 N 1.68 4.90 -0.02 2.92 1.01 -1.26 -1.20 120.40 128.43 1njk s VAL 53 Ca 0.03 1.84 0.12 0.00 0.00 0.00 0.00 61.98 63.97 1njk s VAL 53 Cb -0.13 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 31.85 1njk s VAL 53 CO -0.06 0.14 0.25 1.33 0.00 0.00 0.00 175.10 176.75 1njk n VAL 54 N 4.11 0.02 -3.68 2.92 0.24 -0.08 -4.98 118.33 116.88 1njk n VAL 54 Ca 0.04 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1njk n VAL 54 Cb 0.50 0.20 -0.08 0.00 -1.47 0.00 0.00 33.84 32.99 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 -3.40 -0.61 -0.09 -1.34 3.84 -1.10 -5.01 114.94 107.23 1njk s ASN 55 Ca -0.04 1.16 0.01 0.00 0.21 0.00 0.00 52.86 54.19 1njk s ASN 55 Cb 0.07 1.16 0.02 0.00 -0.55 0.00 0.00 41.25 41.96 1njk s ASN 55 CO 0.49 -0.20 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.87 1njk s ILE 56 N 0.38 1.12 -0.28 -5.21 1.01 -1.26 -0.55 121.20 116.41 1njk s ILE 56 Ca -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1njk s ILE 56 Cb -0.04 -1.07 0.07 0.00 0.01 0.00 0.00 42.46 41.43 1njk s ILE 56 CO -0.00 0.37 -0.02 0.21 0.00 0.00 0.00 174.94 175.49 1njk s ASN 57 N 1.14 4.24 -0.07 3.58 3.04 -0.73 -5.00 114.94 121.14 1njk s ASN 57 Ca -0.05 -1.52 0.05 0.00 0.04 0.00 0.00 52.86 51.37 1njk s ASN 57 Cb -0.14 -1.34 -0.00 0.00 -1.54 0.00 0.00 41.25 38.22 1njk s ASN 57 CO -0.02 -0.28 -0.22 -0.51 -3.04 0.00 0.00 177.10 173.03 1njk s ILE 58 N 1.23 1.84 -0.22 -5.21 2.07 -1.26 -1.35 121.20 118.31 1njk s ILE 58 Ca -0.01 -0.93 -0.09 0.00 -1.41 0.00 0.00 60.65 58.21 1njk s ILE 58 Cb -0.19 -1.58 -0.05 0.00 0.13 0.00 0.00 42.46 40.78 1njk s ILE 58 CO -0.08 0.52 0.12 0.20 -1.91 0.00 0.00 174.94 173.78 1njk s ASN 59 N 0.07 5.94 -0.34 4.50 0.01 0.15 -4.98 114.94 120.29 1njk s ASN 59 Ca -0.08 0.11 -0.13 0.00 -0.71 0.00 0.00 52.86 52.05 1njk s ASN 59 Cb -0.14 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 1njk s ASN 59 CO 0.05 0.11 0.23 -0.31 -1.51 0.00 0.00 177.10 175.67 1njk s TYR 60 N 0.75 3.23 0.00 2.20 1.51 -1.26 -2.01 117.35 121.76 1njk s TYR 60 Ca 0.06 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1njk s TYR 60 Cb -0.13 -2.47 0.00 0.00 -0.11 0.00 0.00 41.96 39.26 1njk s TYR 60 CO 0.02 -0.36 0.00 0.54 -1.11 0.00 0.00 175.55 174.64 1njk n ARG 61 N 5.10 0.00 -2.26 -0.62 1.74 0.17 -4.98 116.66 115.81 1njk n ARG 61 Ca -0.13 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 1njk n ARG 61 Cb 0.50 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.91 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 1.48 4.25 0.20 5.56 3.52 -1.07 -4.96 118.95 127.93 1njk s ARG 62 Ca 0.00 1.90 -0.31 0.00 -0.13 0.00 0.00 55.73 57.20 1njk s ARG 62 Cb 0.00 -3.71 -0.09 0.00 -1.56 0.00 0.00 34.95 29.59 1njk s ARG 62 CO 0.00 -0.65 1.43 -2.14 -0.81 0.00 0.00 175.30 173.13 1njk s PRO 63 N 3.01 4.29 0.16 5.12 0.02 -1.26 -4.50 135.00 141.84 1njk s PRO 63 Ca 0.63 2.23 -0.27 0.00 0.02 0.00 0.00 61.00 63.61 1njk s PRO 63 Cb -0.28 -3.16 -0.08 0.00 0.02 0.00 0.00 34.50 31.00 1njk s PRO 63 CO 0.23 -0.43 0.83 0.00 -0.33 0.00 0.00 177.00 177.30 1njk s ALA 64 N 0.43 3.40 0.47 -1.55 0.00 -1.26 -4.94 121.76 118.30 1njk s ALA 64 Ca 0.62 0.43 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1njk s ALA 64 Cb -0.40 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1njk s ALA 64 CO 0.38 0.22 0.02 0.14 0.00 0.00 0.00 175.76 176.51 1njk s VAL 65 N -0.91 1.33 0.15 0.00 -7.23 -1.26 -1.18 120.40 111.30 1njk s VAL 65 Ca 0.38 -2.00 -0.34 0.00 -1.81 0.00 0.00 61.98 58.21 1njk s VAL 65 Cb -0.23 -2.42 -0.15 0.00 0.56 0.00 0.00 36.38 34.13 1njk s VAL 65 CO 0.27 0.00 1.34 -0.11 -0.31 0.00 0.00 175.10 176.29 1njk n LEU 66 N -1.13 2.08 0.00 1.32 7.94 -1.26 -1.86 117.00 124.08 1njk n LEU 66 Ca -0.14 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 1njk n LEU 66 Cb 0.67 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1njk n LEU 66 CO 0.41 -0.91 0.00 -1.20 -1.11 0.00 0.00 177.39 174.58 1njk n SER 67 N 2.48 0.00 -4.76 1.96 7.64 -0.29 -5.00 113.62 115.64 1njk n SER 67 Ca 0.16 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.63 1njk n SER 67 Cb 0.24 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.14 6.64 -0.38 6.43 1.01 -0.78 -4.68 116.67 121.78 1njk s ASP 68 Ca 0.00 2.76 -0.14 0.00 0.71 0.00 0.00 52.55 55.88 1njk s ASP 68 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1njk s ASP 68 CO 0.00 -0.66 0.27 -0.22 0.21 0.00 0.00 175.17 174.76 1njk s LEU 69 N -1.36 4.82 -0.12 1.23 2.96 -1.26 -0.81 118.68 124.13 1njk s LEU 69 Ca 0.53 -0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1njk s LEU 69 Cb -0.42 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1njk s LEU 69 CO 0.52 -0.35 0.14 -0.76 -1.32 0.00 0.00 176.35 174.57 1njk s LEU 70 N 1.69 4.38 -0.14 -0.68 1.43 0.54 -1.23 118.68 124.66 1njk s LEU 70 Ca 0.05 0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1njk s LEU 70 Cb -0.18 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1njk s LEU 70 CO 0.10 0.40 -0.13 -0.89 0.23 0.00 0.00 176.35 176.06 1njk s THR 71 N -0.97 3.00 -0.22 5.49 2.01 -0.31 -0.31 115.64 124.32 1njk s THR 71 Ca 0.15 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1njk s THR 71 Cb -0.12 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 1njk s THR 71 CO 0.04 0.51 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 1njk s ILE 72 N 0.56 3.48 -0.20 1.82 1.01 0.15 -1.18 121.20 126.84 1njk s ILE 72 Ca -0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1njk s ILE 72 Cb -0.16 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1njk s ILE 72 CO 0.03 0.41 -0.06 -0.89 0.00 0.00 0.00 174.94 174.43 1njk s THR 73 N 1.49 3.27 0.05 2.92 2.01 -0.03 -1.41 115.64 123.94 1njk s THR 73 Ca 0.06 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.61 1njk s THR 73 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1njk s THR 73 CO -0.03 0.45 -0.26 -0.44 -0.69 0.00 0.00 174.62 173.65 1njk s SER 74 N 1.28 3.15 -0.20 3.53 0.01 -1.26 -0.73 113.70 119.48 1njk s SER 74 Ca 0.03 -0.60 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 1njk s SER 74 Cb -0.14 -0.28 0.05 0.00 0.21 0.00 0.00 66.02 65.86 1njk s SER 74 CO -0.03 0.25 0.53 -1.58 0.41 0.00 0.00 173.24 172.83 1njk s GLN 75 N -1.28 0.62 -0.04 12.44 0.74 -0.41 -3.51 119.66 128.22 1njk s GLN 75 Ca 0.12 0.74 -0.30 0.00 0.05 0.00 0.00 55.36 55.97 1njk s GLN 75 Cb -0.10 0.30 -0.05 0.00 1.10 0.00 0.00 33.01 34.26 1njk s GLN 75 CO 0.02 -0.08 1.47 -1.17 -0.55 0.00 0.00 175.29 174.99 1njk s LEU 76 N 0.30 4.30 -0.20 3.68 2.96 -1.26 -0.98 118.68 127.48 1njk s LEU 76 Ca -0.00 2.10 -0.01 0.00 -0.22 0.00 0.00 54.13 56.00 1njk s LEU 76 Cb -0.04 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.89 1njk s LEU 76 CO 0.00 -0.80 0.03 1.67 -1.32 0.00 0.00 176.35 175.94 1njk n GLN 77 N 6.14 0.70 -3.71 1.98 7.27 0.84 -4.91 117.38 125.69 1njk n GLN 77 Ca 0.15 0.20 -0.12 0.00 0.07 0.00 0.00 57.00 57.29 1njk n GLN 77 Cb 0.43 -1.60 -0.07 0.00 2.41 0.00 0.00 30.24 31.41 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 -2.54 0.86 -0.39 3.69 -0.21 -1.08 -4.98 119.66 115.01 1njk s GLN 78 Ca -0.29 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 54.68 1njk s GLN 78 Cb 0.08 0.38 0.16 0.00 1.00 0.00 0.00 33.01 34.62 1njk s GLN 78 CO 0.68 -0.29 0.28 -0.51 -2.12 0.00 0.00 175.29 173.33 1njk s LEU 79 N -2.03 1.38 0.00 2.90 1.43 -1.26 -0.68 118.68 120.42 1njk s LEU 79 Ca -0.05 -2.69 -0.00 0.00 -1.03 0.00 0.00 54.13 50.35 1njk s LEU 79 Cb -0.01 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.74 1njk s LEU 79 CO -0.03 -0.23 0.02 0.59 0.23 0.00 0.00 176.35 176.93 1njk n ASN 80 N 3.37 -0.87 -0.02 2.29 3.02 0.62 -4.91 115.26 118.76 1njk n ASN 80 Ca 0.21 -0.59 0.15 0.00 -0.03 0.00 0.00 54.58 54.32 1njk n ASN 80 Cb 0.42 -0.02 0.75 0.00 -0.61 0.00 0.00 39.78 40.32 1njk n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1njk n GLY 81 N 2.70 -1.22 0.00 7.41 0.00 -1.26 -4.10 105.19 108.73 1njk n GLY 81 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.22 2.54 -3.79 1.61 4.76 -1.26 -3.29 118.16 117.51 1njk n LYS 82 Ca 0.15 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 1njk n LYS 82 Cb 0.24 -0.24 -0.03 0.00 -1.84 0.00 0.00 35.03 33.15 1njk n LYS 82 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1njk s SER 83 N -0.10 -0.25 0.18 4.39 1.04 -1.26 -4.53 113.70 113.17 1njk s SER 83 Ca 0.00 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.93 1njk s SER 83 Cb 0.00 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 1njk s SER 83 CO 0.00 -1.13 -0.09 -0.83 0.98 0.00 0.00 173.24 172.17 1njk s GLY 84 N -2.90 1.26 -0.14 7.32 0.00 0.03 -0.28 107.32 112.61 1njk s GLY 84 Ca 0.11 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.24 1njk s GLY 84 CO 0.01 -1.65 -0.14 -0.42 0.00 0.00 0.00 173.10 170.90 1njk s ILE 85 N -3.27 1.55 -0.19 0.90 1.01 0.15 -1.23 121.20 120.11 1njk s ILE 85 Ca 0.21 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1njk s ILE 85 Cb 0.03 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1njk s ILE 85 CO 0.04 0.45 0.04 -0.22 0.00 0.00 0.00 174.94 175.25 1njk s LEU 86 N 1.41 3.61 -0.09 2.97 2.96 -0.03 -0.11 118.68 129.39 1njk s LEU 86 Ca 0.03 -0.02 -0.14 0.00 -0.22 0.00 0.00 54.13 53.77 1njk s LEU 86 Cb -0.13 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 1njk s LEU 86 CO -0.09 0.13 0.35 -0.55 -1.32 0.00 0.00 176.35 174.88 1njk s SER 87 N 0.60 6.61 -0.08 3.68 0.15 -0.15 -0.11 113.70 124.39 1njk s SER 87 Ca 0.02 0.72 -0.00 0.00 0.70 0.00 0.00 55.95 57.38 1njk s SER 87 Cb -0.13 -2.22 0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1njk s SER 87 CO 0.02 0.19 -0.04 -1.10 1.20 0.00 0.00 173.24 173.51 1njk s GLN 88 N -0.17 1.00 -0.09 5.44 -0.21 -0.27 -1.29 119.66 124.07 1njk s GLN 88 Ca 0.21 -0.07 0.04 0.00 0.02 0.00 0.00 55.36 55.56 1njk s GLN 88 Cb -0.15 -1.17 -0.00 0.00 1.00 0.00 0.00 33.01 32.70 1njk s GLN 88 CO 0.08 -0.24 -0.23 0.08 -2.12 0.00 0.00 175.29 172.87 1njk s VAL 89 N 1.64 1.97 -0.23 1.09 1.01 0.10 -0.56 120.40 125.42 1njk s VAL 89 Ca 0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1njk s VAL 89 Cb -0.13 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1njk s VAL 89 CO -0.05 0.54 0.07 -0.63 0.00 0.00 0.00 175.10 175.03 1njk s ILE 90 N 0.29 4.42 0.24 2.22 1.01 0.11 -0.85 121.20 128.63 1njk s ILE 90 Ca -0.16 -0.14 0.11 0.00 0.00 0.00 0.00 60.65 60.46 1njk s ILE 90 Cb -0.17 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1njk s ILE 90 CO 0.08 0.37 -0.20 0.42 0.00 0.00 0.00 174.94 175.60 1njk s THR 91 N 1.33 2.27 -0.14 2.92 -4.23 -0.33 0.24 115.64 117.71 1njk s THR 91 Ca 0.05 -2.24 -0.13 0.00 -1.18 0.00 0.00 61.69 58.19 1njk s THR 91 Cb -0.15 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 1njk s THR 91 CO 0.04 -0.35 0.28 -0.22 -0.54 0.00 0.00 174.62 173.82 1njk s LEU 92 N -3.19 4.29 0.31 4.79 0.20 -0.05 -1.16 118.68 123.87 1njk s LEU 92 Ca 0.25 0.55 -0.15 0.00 0.69 0.00 0.00 54.13 55.46 1njk s LEU 92 Cb -0.05 -2.35 -0.09 0.00 -0.43 0.00 0.00 46.19 43.27 1njk s LEU 92 CO 0.12 0.17 0.74 -1.61 -0.29 0.00 0.00 176.35 175.48 1njk s GLU 93 N 0.07 4.03 0.00 1.98 0.41 -0.36 0.20 118.70 125.02 1njk s GLU 93 Ca 0.17 0.69 0.22 0.00 -0.41 0.00 0.00 54.97 55.64 1njk s GLU 93 Cb -0.13 -2.48 -0.00 0.00 -1.78 0.00 0.00 34.13 29.74 1njk s GLU 93 CO 0.05 0.18 1.07 -0.35 -0.49 0.00 0.00 175.26 175.72 1njk n PRO 94 N -0.25 0.54 0.23 0.39 -0.04 -1.26 -4.64 135.00 129.97 1njk n PRO 94 Ca 0.03 -0.43 0.13 0.00 -0.04 0.00 0.00 63.50 63.19 1njk n PRO 94 Cb 0.53 -1.49 0.31 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.05 0.00 0.00 0.54 5.08 -2.00 -3.48 114.58 115.78 1njk h GLU 95 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1njk h GLU 95 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1njk h GLU 95 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1njk n GLY 96 N 0.82 0.64 3.77 -3.84 0.00 0.13 -5.02 105.19 101.69 1njk n GLY 96 Ca 0.03 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.32 4.15 -0.15 1.61 1.11 -1.22 -4.60 119.66 118.24 1njk s GLN 97 Ca 0.00 2.41 -0.29 0.00 0.01 0.00 0.00 55.36 57.48 1njk s GLN 97 Cb 0.00 -2.96 -0.01 0.00 -1.01 0.00 0.00 33.01 29.03 1njk s GLN 97 CO 0.00 -0.44 1.19 0.08 0.01 0.00 0.00 175.29 176.14 1njk s VAL 98 N -1.15 4.38 -0.17 1.09 1.01 -1.26 -0.87 120.40 123.43 1njk s VAL 98 Ca 0.52 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 64.07 1njk s VAL 98 Cb -0.43 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 31.65 1njk s VAL 98 CO 0.58 -0.11 0.21 0.52 0.00 0.00 0.00 175.10 176.30 1njk n VAL 99 N 5.14 1.66 -3.51 2.92 0.31 0.14 -2.60 118.33 122.40 1njk n VAL 99 Ca 0.13 -0.44 -0.12 0.00 -0.01 0.00 0.00 64.34 63.90 1njk n VAL 99 Cb 0.46 -1.81 -0.04 0.00 -0.91 0.00 0.00 33.84 31.54 1njk n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1njk s ALA 100 N -2.49 -1.80 -0.05 3.52 0.00 -1.00 -0.66 121.76 119.28 1njk s ALA 100 Ca -0.27 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 1njk s ALA 100 Cb 0.07 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1njk s ALA 100 CO 0.68 -0.53 0.12 0.16 0.00 0.00 0.00 175.76 176.19 1njk s ASP 101 N -1.88 -0.11 0.05 0.00 -4.77 -0.85 0.04 116.67 109.14 1njk s ASP 101 Ca -0.01 0.25 -0.00 0.00 -3.30 0.00 0.00 52.55 49.49 1njk s ASP 101 Cb -0.01 0.21 -0.04 0.00 -1.09 0.00 0.00 42.92 42.00 1njk s ASP 101 CO -0.03 -0.08 -0.04 0.00 0.70 0.00 0.00 175.17 175.72 1njk s ALA 102 N 0.47 0.54 -0.15 2.11 0.00 0.28 -0.68 121.76 124.34 1njk s ALA 102 Ca -0.03 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1njk s ALA 102 Cb -0.05 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1njk s ALA 102 CO -0.02 -0.31 -0.20 -0.51 0.00 0.00 0.00 175.76 174.72 1njk s LEU 103 N -2.70 2.19 -0.30 0.00 1.43 -0.45 -1.11 118.68 117.74 1njk s LEU 103 Ca 0.04 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 1njk s LEU 103 Cb 0.04 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1njk s LEU 103 CO -0.08 0.07 0.06 -0.63 0.23 0.00 0.00 176.35 176.01 1njk s ILE 104 N 0.86 3.74 -0.11 -0.59 1.09 0.84 -1.77 121.20 125.25 1njk s ILE 104 Ca -0.06 -0.87 -0.17 0.00 -1.10 0.00 0.00 60.65 58.45 1njk s ILE 104 Cb -0.15 -2.98 -0.05 0.00 -1.06 0.00 0.00 42.46 38.22 1njk s ILE 104 CO -0.02 0.02 0.42 -0.89 -0.10 0.00 0.00 174.94 174.37 1njk s THR 105 N 1.44 5.20 0.16 2.92 2.01 0.28 -0.85 115.64 126.80 1njk s THR 105 Ca 0.01 0.83 -0.00 0.00 0.31 0.00 0.00 61.69 62.83 1njk s THR 105 Cb -0.18 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1njk s THR 105 CO 0.01 0.38 0.06 0.72 -0.69 0.00 0.00 174.62 175.10 1njk s PHE 106 N 0.36 1.00 0.18 4.92 -0.12 -0.37 -0.90 117.98 123.05 1njk s PHE 106 Ca 0.23 -1.23 0.01 0.00 -0.05 0.00 0.00 56.93 55.89 1njk s PHE 106 Cb -0.15 -0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 41.65 1njk s PHE 106 CO 0.09 -0.49 0.04 0.14 -0.05 0.00 0.00 175.22 174.95 1njk s VAL 107 N -4.00 0.47 -0.62 -2.49 -7.23 -0.34 -0.79 120.40 105.40 1njk s VAL 107 Ca 0.27 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1njk s VAL 107 Cb 0.07 -2.21 0.16 0.00 0.56 0.00 0.00 36.38 34.96 1njk s VAL 107 CO 0.05 -0.36 0.43 0.00 -0.31 0.00 0.00 175.10 174.90 1njk s ILE 109 N -0.09 3.80 -0.47 0.00 1.01 -1.01 -3.24 121.20 121.21 1njk s ILE 109 Ca 0.17 0.82 -0.26 0.00 0.00 0.00 0.00 60.65 61.39 1njk s ILE 109 Cb -0.20 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.24 1njk s ILE 109 CO -0.03 -0.65 0.95 -1.81 0.00 0.00 0.00 174.94 173.39 1njk s ASP 110 N 4.41 6.51 0.00 3.58 1.01 0.94 -3.00 116.67 130.11 1njk s ASP 110 Ca 0.66 0.14 0.00 0.00 0.71 0.00 0.00 52.55 54.06 1njk s ASP 110 Cb -0.16 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1njk s ASP 110 CO 0.32 -1.08 0.13 0.18 0.21 0.00 0.00 175.17 174.93 1njk n LEU 111 N 7.24 0.08 -0.03 1.23 4.77 -1.12 0.11 117.00 129.29 1njk n LEU 111 Ca 0.07 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1njk n LEU 111 Cb 0.49 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1njk n LEU 111 CO 0.65 0.02 -0.68 0.29 -1.33 0.00 0.00 177.39 176.34 1njk n LYS 112 N -0.05 0.66 0.00 3.23 5.02 -1.26 -4.42 118.16 121.33 1njk n LYS 112 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1njk n LYS 112 Cb 0.02 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1njk n LYS 112 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1njk n THR 113 N -3.08 0.00 -0.49 -0.18 -2.24 -0.15 -4.99 114.28 103.16 1njk n THR 113 Ca -0.22 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1njk n THR 113 Cb 1.06 1.72 0.00 0.00 -2.10 0.00 0.00 70.33 71.01 1njk n THR 113 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1njk n GLN 114 N -0.01 0.00 -3.36 -0.78 -0.06 0.31 -4.94 117.38 108.54 1njk n GLN 114 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.78 1njk n GLN 114 Cb 0.18 -3.62 0.04 0.00 -4.06 0.00 0.00 30.24 22.78 1njk n GLN 114 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1njk s LYS 115 N -0.47 2.25 -0.10 3.69 1.02 -1.23 -4.65 119.74 120.25 1njk s LYS 115 Ca 0.00 -1.82 -0.16 0.00 0.02 0.00 0.00 55.97 54.01 1njk s LYS 115 Cb 0.00 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1njk s LYS 115 CO 0.00 -0.82 0.39 0.00 -0.92 0.00 0.00 175.35 174.00 1njk s ALA 116 N -2.73 3.58 -0.00 5.17 0.00 -1.26 -0.04 121.76 126.47 1njk s ALA 116 Ca 0.51 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.94 1njk s ALA 116 Cb -0.04 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 1njk s ALA 116 CO 0.32 0.16 0.71 -1.17 0.00 0.00 0.00 175.76 175.79 1njk s LEU 117 N 0.13 4.40 -0.33 0.00 0.20 -1.20 -4.96 118.68 116.92 1njk s LEU 117 Ca 0.22 1.31 -0.40 0.00 0.69 0.00 0.00 54.13 55.95 1njk s LEU 117 Cb -0.15 -3.12 -0.16 0.00 -0.43 0.00 0.00 46.19 42.33 1njk s LEU 117 CO 0.09 -0.01 1.84 0.00 -0.29 0.00 0.00 176.35 177.98 1njk n ALA 118 N 3.11 -0.04 -0.34 5.97 0.00 -1.25 -4.78 120.51 123.18 1njk n ALA 118 Ca -0.03 0.31 0.20 0.00 0.00 0.00 0.00 53.44 53.92 1njk n ALA 118 Cb 0.51 -2.24 0.42 0.00 0.00 0.00 0.00 19.45 18.14 1njk n ALA 118 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1njk h LEU 119 N 8.03 0.61 -1.56 0.00 3.38 -1.73 0.53 115.31 124.58 1njk h LEU 119 Ca -0.40 0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.81 1njk h LEU 119 Cb 1.33 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 1njk h LEU 119 CO 0.98 0.03 0.43 -0.08 0.09 0.00 0.00 178.44 179.90 1njk h GLU 120 N 0.49 0.49 0.00 1.13 4.81 -1.86 0.92 114.58 120.57 1njk h GLU 120 Ca 0.67 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.87 1njk h GLU 120 Cb 1.39 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1njk h GLU 120 CO -0.50 0.32 0.00 0.41 -0.73 0.00 0.00 179.01 178.51 1njk n GLY 121 N -1.50 -2.51 1.17 1.92 0.00 0.19 -4.49 105.19 99.97 1njk n GLY 121 Ca 0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 1.14 0.00 1.61 1.02 -1.26 -3.62 120.64 119.53 1njk n GLU 122 Ca 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 1njk n GLU 122 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1njk n GLU 122 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1njk n LEU 123 N 0.38 0.80 -0.32 -4.62 4.77 -1.22 -4.73 117.00 112.06 1njk n LEU 123 Ca 0.07 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1njk n LEU 123 Cb 0.62 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.81 1njk n LEU 123 CO 0.07 0.13 0.66 0.03 -1.33 0.00 0.00 177.39 176.96 1njk h ARG 124 N 0.00 -0.01 -0.67 3.23 2.47 0.84 0.53 114.38 120.76 1njk h ARG 124 Ca 0.00 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 58.95 1njk h ARG 124 Cb 0.97 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.17 1njk h ARG 124 CO 0.00 -0.01 0.17 0.39 0.56 0.00 0.00 179.97 181.08 1njk n GLU 125 N -5.54 -0.05 -0.00 0.04 1.02 -1.26 0.44 120.64 115.28 1njk n GLU 125 Ca 0.12 0.97 -0.12 0.00 -0.02 0.00 0.00 57.16 58.11 1njk n GLU 125 Cb 0.43 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 1njk n GLU 125 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1njk h LYS 126 N 0.00 -0.08 0.00 3.49 2.10 -1.22 -3.30 116.57 117.55 1njk h LYS 126 Ca 0.48 0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 59.09 1njk h LYS 126 Cb 1.14 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 1njk h LYS 126 CO -0.58 0.51 -0.19 -0.07 -2.00 0.00 0.00 179.45 177.12 1njk h LEU 127 N -0.79 0.00 -1.66 7.07 3.38 -0.42 -2.31 115.31 120.58 1njk h LEU 127 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1njk h LEU 127 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1njk h LEU 127 CO 0.01 0.19 0.13 -0.33 0.09 0.00 0.00 178.44 178.53 1njk h GLU 128 N 0.00 0.35 -2.74 1.13 4.39 -0.10 -3.40 114.58 114.21 1njk h GLU 128 Ca -0.00 -0.03 -0.60 0.00 0.34 0.00 0.00 59.36 59.06 1njk h GLU 128 Cb 0.37 -0.07 -0.40 0.00 -0.10 0.00 0.00 28.75 28.54 1njk h GLU 128 CO 0.02 0.28 -0.78 1.14 -1.16 0.00 0.00 179.01 178.51 1njk s GLN 129 N -5.25 1.55 -0.14 2.33 -2.07 -0.87 -5.06 119.66 110.16 1njk s GLN 129 Ca -0.07 -2.55 -0.11 0.00 -1.82 0.00 0.00 55.36 50.81 1njk s GLN 129 Cb 0.17 -2.33 -0.05 0.00 -1.09 0.00 0.00 33.01 29.71 1njk s GLN 129 CO 0.72 -1.31 0.57 0.28 -1.32 0.00 0.00 175.29 174.23 1njk n VAL 131 N 2.65 0.00 1.08 3.63 0.31 -1.26 -4.88 118.33 119.86 1njk n VAL 131 Ca 0.22 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.64 1njk n VAL 131 Cb 0.41 -0.13 0.51 0.00 -0.91 0.00 0.00 33.84 33.72 1njk n VAL 131 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80