#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 0.04 -0.00 -1.40 -0.21 -1.26 -4.97 119.66 111.86 1njk s GLN 2 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 55.36 55.40 1njk s GLN 2 Cb 0.00 0.02 -0.00 0.00 1.00 0.00 0.00 33.01 34.03 1njk s GLN 2 CO 0.00 -0.01 0.03 0.99 -2.12 0.00 0.00 175.29 174.18 1njk s THR 3 N -0.29 0.04 0.03 -0.19 2.01 -0.64 -4.97 115.64 111.63 1njk s THR 3 Ca 0.08 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.83 1njk s THR 3 Cb -0.04 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1njk s THR 3 CO -0.14 -0.18 -0.22 -1.10 -0.69 0.00 0.00 174.62 172.29 1njk s GLN 4 N -0.54 1.99 -0.03 4.92 -0.21 -1.26 0.11 119.66 124.65 1njk s GLN 4 Ca -0.06 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.32 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 0.00 175.29 174.11 1njk s ILE 5 N -0.84 0.27 -0.14 1.08 1.01 0.14 -4.97 121.20 117.75 1njk s ILE 5 Ca 0.13 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 1njk s ILE 5 Cb -0.10 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 1njk s ILE 5 CO 0.03 0.15 0.51 -0.75 0.00 0.00 0.00 174.94 174.88 1njk s LYS 6 N 0.75 4.29 -0.11 2.79 2.47 -1.26 -0.65 119.74 128.02 1njk s LYS 6 Ca -0.08 0.48 -0.30 0.00 -1.56 0.00 0.00 55.97 54.51 1njk s LYS 6 Cb -0.11 -3.48 -0.02 0.00 -1.46 0.00 0.00 37.83 32.76 1njk s LYS 6 CO -0.01 0.04 1.11 0.08 0.16 0.00 0.00 175.35 176.73 1njk s VAL 7 N 1.02 4.52 0.44 4.02 1.01 -0.20 -4.97 120.40 126.23 1njk s VAL 7 Ca 0.26 1.82 0.07 0.00 0.00 0.00 0.00 61.98 64.13 1njk s VAL 7 Cb -0.15 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1njk s VAL 7 CO 0.11 -0.04 0.22 -0.13 0.00 0.00 0.00 175.10 175.26 1njk s ARG 8 N 2.40 2.25 0.35 2.72 1.81 -1.26 -0.73 118.95 126.50 1njk s ARG 8 Ca 0.51 -1.89 0.06 0.00 -1.72 0.00 0.00 55.73 52.70 1njk s ARG 8 Cb -0.21 -2.00 0.73 0.00 -0.45 0.00 0.00 34.95 33.03 1njk s ARG 8 CO 0.17 -0.22 1.93 0.78 -0.68 0.00 0.00 175.30 177.29 1njk h GLY 9 N 1.29 1.05 2.00 -3.53 0.00 -1.98 -2.31 103.07 99.59 1njk h GLY 9 Ca -0.42 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1njk h GLY 9 CO 0.67 0.21 0.00 1.58 0.00 0.00 0.00 176.54 179.00 1njk n TYR 10 N -4.50 0.00 0.16 5.60 0.18 -1.26 -2.73 117.16 114.62 1njk n TYR 10 Ca 0.12 0.00 0.10 0.00 1.88 0.00 0.00 57.90 60.00 1njk n TYR 10 Cb 0.28 -0.50 0.08 0.00 -0.38 0.00 0.00 39.34 38.82 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 -3.97 -3.48 3.86 -1.82 -3.47 115.15 106.27 1njk h HIS 11 Ca 0.00 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.73 1njk h HIS 11 Cb 0.38 0.00 0.07 0.00 1.06 0.00 0.00 27.41 28.91 1njk h HIS 11 CO 0.00 0.11 0.27 -0.51 0.86 0.00 0.00 177.93 178.65 1njk s LEU 12 N -5.97 3.07 0.00 2.43 1.43 -1.10 -1.85 118.68 116.68 1njk s LEU 12 Ca 0.04 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1njk s LEU 12 Cb 0.07 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 1njk s LEU 12 CO 0.72 -1.22 0.02 -0.90 0.23 0.00 0.00 176.35 175.20 1njk n ASP 13 N -2.77 1.81 -0.15 2.29 5.68 -0.70 -4.68 116.55 118.04 1njk n ASP 13 Ca 0.06 -1.65 0.28 0.00 -0.50 0.00 0.00 54.79 52.98 1njk n ASP 13 Cb 0.58 0.19 0.62 0.00 -1.14 0.00 0.00 41.12 41.37 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 1.13 0.18 -0.08 2.12 3.04 -1.99 0.34 116.25 120.99 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 0.37 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 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 -3.57 0.10 -2.08 3.17 4.02 -1.26 -4.91 117.16 112.63 1njk n TYR 15 Ca 0.19 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.90 57.87 1njk n TYR 15 Cb 1.19 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.48 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 -0.09 -1.26 -4.28 -0.72 3.00 0.12 -5.00 117.38 109.15 1njk n GLN 16 Ca 0.17 0.87 -0.18 0.00 -0.01 0.00 0.00 57.00 57.86 1njk n GLN 16 Cb 0.25 -5.23 -0.11 0.00 0.00 0.00 0.00 30.24 25.16 1njk n GLN 16 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1njk s HIS 17 N -2.76 1.49 0.27 1.08 3.76 -1.26 -4.51 115.29 113.36 1njk s HIS 17 Ca 0.00 -0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 54.01 1njk s HIS 17 Cb 0.00 -0.74 -0.11 0.00 1.11 0.00 0.00 32.58 32.83 1njk s HIS 17 CO 0.00 0.20 1.63 0.08 -0.85 0.00 0.00 174.74 175.80 1njk s VAL 18 N -2.62 2.05 0.46 -0.90 1.01 -0.45 -1.72 120.40 118.23 1njk s VAL 18 Ca 0.15 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 1njk s VAL 18 Cb -0.02 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1njk s VAL 18 CO 0.04 0.01 1.31 0.21 0.00 0.00 0.00 175.10 176.67 1njk s ASN 19 N 0.67 5.91 0.26 3.32 3.84 -0.77 -4.82 114.94 123.35 1njk s ASN 19 Ca 0.66 2.67 -0.02 0.00 0.21 0.00 0.00 52.86 56.37 1njk s ASN 19 Cb -0.48 -2.63 0.50 0.00 -0.55 0.00 0.00 41.25 38.08 1njk s ASN 19 CO 0.44 -1.12 1.75 0.78 -2.79 0.00 0.00 177.10 176.16 1njk h ASN 20 N 2.16 0.44 -0.03 -4.21 2.35 -1.93 -1.36 115.58 113.00 1njk h ASN 20 Ca -0.50 0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.24 1njk h ASN 20 Cb 1.26 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 1njk h ASN 20 CO 0.60 0.18 -0.30 0.00 -1.65 0.00 0.00 177.43 176.26 1njk h ALA 21 N 1.55 1.04 -0.23 -0.83 0.00 -1.98 -3.09 119.26 115.72 1njk h ALA 21 Ca 0.44 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1njk h ALA 21 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1njk h ALA 21 CO -0.37 0.58 0.13 -0.09 0.00 0.00 0.00 179.25 179.50 1njk h ARG 22 N 0.42 0.30 -0.27 0.00 9.65 -1.59 -1.53 114.38 121.36 1njk h ARG 22 Ca 0.05 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1njk h ARG 22 Cb 0.74 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1njk h ARG 22 CO 0.06 0.22 0.17 1.88 2.80 0.00 0.00 179.97 185.10 1njk h TYR 23 N 0.31 0.35 -0.03 2.20 -1.99 -1.45 -0.70 116.97 115.66 1njk h TYR 23 Ca 0.08 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.74 1njk h TYR 23 Cb 0.00 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 1njk h TYR 23 CO 0.00 0.23 -0.37 -0.07 -0.00 0.00 0.00 178.16 177.95 1njk h LEU 24 N 0.37 0.06 -0.35 3.88 4.07 -1.42 -0.56 115.31 121.36 1njk h LEU 24 Ca 0.10 -0.02 -0.15 0.00 0.08 0.00 0.00 57.88 57.89 1njk h LEU 24 Cb -0.02 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1njk h LEU 24 CO -0.02 0.43 -0.35 -0.33 -1.08 0.00 0.00 178.44 177.09 1njk h GLU 25 N 0.05 0.86 -0.57 1.13 5.08 -1.17 -0.56 114.58 119.39 1njk h GLU 25 Ca 0.00 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1njk h GLU 25 Cb 0.68 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1njk h GLU 25 CO 0.05 1.09 0.38 0.74 -1.00 0.00 0.00 179.01 180.27 1njk h PHE 26 N 0.65 0.71 -0.58 4.33 0.04 -0.91 0.72 116.94 121.90 1njk h PHE 26 Ca 0.06 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 1njk h PHE 26 Cb 0.93 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 1njk h PHE 26 CO 0.07 0.44 0.14 -0.07 -0.60 0.00 0.00 178.31 178.29 1njk h LEU 27 N 0.77 0.87 -0.53 1.54 3.38 -0.98 -2.00 115.31 118.36 1njk h LEU 27 Ca 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1njk h LEU 27 Cb -0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1njk h LEU 27 CO -0.05 0.88 0.18 -0.08 0.09 0.00 0.00 178.44 179.45 1njk h GLU 28 N 0.83 0.81 -0.63 1.13 4.81 -0.68 -2.14 114.58 118.71 1njk h GLU 28 Ca 0.18 -0.17 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1njk h GLU 28 Cb 0.34 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 1njk h GLU 28 CO 0.00 0.74 0.25 1.49 -0.73 0.00 0.00 179.01 180.76 1njk h GLU 29 N 0.72 0.43 -0.38 1.92 4.57 -0.66 -0.01 114.58 121.17 1njk h GLU 29 Ca 0.17 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1njk h GLU 29 Cb 0.26 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1njk h GLU 29 CO -0.01 0.28 0.14 0.00 -1.18 0.00 0.00 179.01 178.24 1njk h ALA 30 N 1.42 1.52 -0.18 2.92 0.00 -0.94 -0.04 119.26 123.96 1njk h ALA 30 Ca 0.31 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1njk h ALA 30 Cb 0.38 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1njk h ALA 30 CO -0.30 0.37 -0.65 0.00 0.00 0.00 0.00 179.25 178.67 1njk h ARG 31 N 0.54 0.76 -0.63 0.00 3.08 -0.43 -1.96 114.38 115.74 1njk h ARG 31 Ca 0.13 -0.57 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 1njk h ARG 31 Cb 0.14 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1njk h ARG 31 CO -0.01 1.19 0.24 -1.49 -1.07 0.00 0.00 179.97 178.83 1njk h TRP 32 N 0.48 0.98 -0.31 3.04 4.06 -0.75 -2.36 115.95 121.08 1njk h TRP 32 Ca -0.03 -0.08 0.04 0.00 2.06 0.00 0.00 58.89 60.88 1njk h TRP 32 Cb 1.28 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 29.11 1njk h TRP 32 CO 0.09 0.78 0.08 0.22 -3.56 0.00 0.00 178.44 176.05 1njk h ASP 33 N 0.89 0.05 0.96 -3.49 1.82 -0.96 -1.05 116.42 114.64 1njk h ASP 33 Ca 0.21 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1njk h ASP 33 Cb 0.23 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1njk h ASP 33 CO -0.01 0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.29 1njk n GLY 34 N -1.21 -1.41 0.01 -0.78 0.00 -0.74 -3.72 105.19 97.34 1njk n GLY 34 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.78 0.00 -0.24 0.99 4.32 -0.90 -4.10 117.00 115.29 1njk n LEU 35 Ca 0.05 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.10 1njk n LEU 35 Cb 0.31 0.02 0.31 0.00 -1.62 0.00 0.00 43.42 42.44 1njk n LEU 35 CO 0.24 0.02 1.23 1.05 -1.22 0.00 0.00 177.39 178.71 1njk h GLU 36 N 0.00 0.83 0.05 3.23 4.11 -1.28 -1.28 114.58 120.24 1njk h GLU 36 Ca -0.02 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.11 1njk h GLU 36 Cb 0.73 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1njk h GLU 36 CO 0.00 0.55 -1.20 -0.91 0.07 0.00 0.00 179.01 177.53 1njk h ASN 37 N 0.86 0.16 -0.27 3.06 -0.26 -1.78 -3.45 115.58 113.90 1njk h ASN 37 Ca 0.36 -0.19 -0.50 0.00 -0.56 0.00 0.00 56.30 55.41 1njk h ASN 37 Cb 0.28 -0.05 -0.07 0.00 -1.06 0.00 0.00 38.32 37.41 1njk h ASN 37 CO -0.13 1.15 1.73 -1.20 -1.06 0.00 0.00 177.43 177.93 1njk n SER 38 N -3.38 0.64 0.27 5.81 7.64 -0.48 -4.71 113.62 119.40 1njk n SER 38 Ca -0.06 0.07 0.18 0.00 1.01 0.00 0.00 58.87 60.08 1njk n SER 38 Cb 0.99 -1.03 0.95 0.00 -1.01 0.00 0.00 64.21 64.10 1njk n SER 38 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1njk h ASP 39 N 13.23 0.00 0.61 6.43 1.82 -1.87 -1.54 116.42 135.10 1njk h ASP 39 Ca -0.08 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.28 1njk h ASP 39 Cb 1.30 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.28 1njk h ASP 39 CO 1.35 0.00 -1.48 0.28 -1.61 0.00 0.00 179.24 177.78 1njk h SER 40 N 0.00 0.11 -0.46 2.28 0.02 -1.84 -3.35 113.55 110.31 1njk h SER 40 Ca 0.00 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 60.87 1njk h SER 40 Cb 0.07 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1njk h SER 40 CO 0.00 1.15 0.31 0.15 -1.14 0.00 0.00 176.83 177.30 1njk h PHE 41 N 0.02 0.23 -0.15 3.45 3.04 -1.56 0.12 116.94 122.08 1njk h PHE 41 Ca -0.20 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.58 1njk h PHE 41 Cb 1.95 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 40.38 1njk h PHE 41 CO 0.02 0.11 -0.62 0.37 -2.02 0.00 0.00 178.31 176.17 1njk h GLN 42 N 0.22 0.54 -1.92 1.11 4.15 -1.70 -3.10 115.11 114.42 1njk h GLN 42 Ca 0.21 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1njk h GLN 42 Cb 0.55 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1njk h GLN 42 CO -0.04 0.99 0.00 1.87 -1.93 0.00 0.00 178.83 179.73 1njk n TRP 43 N -3.92 0.00 0.00 3.99 -0.00 0.03 -2.83 117.44 114.70 1njk n TRP 43 Ca -0.04 -0.44 0.00 0.00 -0.00 0.00 0.00 57.50 57.03 1njk n TRP 43 Cb 0.65 -0.34 0.00 0.00 -0.00 0.00 0.00 31.31 31.62 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 1.59 0.00 -0.11 5.87 -1.04 -1.17 -3.84 114.28 115.57 1njk n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1njk n THR 45 Cb 0.24 0.00 0.27 0.00 -1.82 0.00 0.00 70.33 69.02 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 1.43 -0.18 2.41 0.00 -1.84 0.17 119.26 121.24 1njk h ALA 46 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1njk h ALA 46 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1njk h ALA 46 CO 0.00 0.45 0.00 0.72 0.00 0.00 0.00 179.25 180.42 1njk n HIS 47 N -4.37 0.24 -1.20 0.00 8.25 -1.25 -4.86 115.22 112.03 1njk n HIS 47 Ca 0.05 -0.12 -0.07 0.00 -0.26 0.00 0.00 57.72 57.32 1njk n HIS 47 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1njk n HIS 47 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1njk n ASN 48 N 0.08 -4.79 -4.79 0.41 5.15 0.60 -4.93 115.26 106.99 1njk n ASN 48 Ca 0.11 0.17 -0.32 0.00 -0.60 0.00 0.00 54.58 53.94 1njk n ASN 48 Cb 0.21 -2.89 0.05 0.00 -0.53 0.00 0.00 39.78 36.62 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 -1.93 3.60 -0.12 -1.44 1.01 -1.26 -4.07 121.20 116.99 1njk s ILE 49 Ca 0.00 0.63 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 1njk s ILE 49 Cb 0.00 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.31 1njk s ILE 49 CO 0.00 -0.57 0.42 0.00 0.00 0.00 0.00 174.94 174.79 1njk s ALA 50 N -2.69 -1.05 0.02 9.38 0.00 -0.90 -4.41 121.76 122.13 1njk s ALA 50 Ca 0.62 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 53.33 1njk s ALA 50 Cb -0.17 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1njk s ALA 50 CO 0.47 -0.23 0.82 -0.06 0.00 0.00 0.00 175.76 176.76 1njk s PHE 51 N -0.23 3.70 -0.08 0.00 0.08 -1.26 -1.97 117.98 118.21 1njk s PHE 51 Ca -0.04 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.53 1njk s PHE 51 Cb -0.03 -2.90 0.02 0.00 -0.57 0.00 0.00 43.02 39.54 1njk s PHE 51 CO 0.02 0.17 -0.09 0.08 -0.10 0.00 0.00 175.22 175.31 1njk s VAL 52 N 0.33 0.98 -0.11 -0.44 1.01 -0.62 -4.99 120.40 116.55 1njk s VAL 52 Ca 0.42 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1njk s VAL 52 Cb -0.20 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1njk s VAL 52 CO 0.24 0.34 0.87 -0.69 0.00 0.00 0.00 175.10 175.86 1njk s VAL 53 N 1.17 4.88 -0.04 2.92 1.01 -1.26 -1.11 120.40 127.97 1njk s VAL 53 Ca -0.05 1.76 0.14 0.00 0.00 0.00 0.00 61.98 63.83 1njk s VAL 53 Cb -0.14 -4.19 -0.22 0.00 0.00 0.00 0.00 36.38 31.83 1njk s VAL 53 CO -0.02 0.08 0.27 1.33 0.00 0.00 0.00 175.10 176.76 1njk n VAL 54 N 4.42 0.18 -3.69 2.92 0.24 0.21 -4.98 118.33 117.62 1njk n VAL 54 Ca 0.05 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 1njk n VAL 54 Cb 0.49 0.01 -0.09 0.00 -1.47 0.00 0.00 33.84 32.79 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 -3.88 -0.56 -0.09 -1.34 3.84 -1.08 -5.01 114.94 106.81 1njk s ASN 55 Ca -0.06 1.08 0.01 0.00 0.21 0.00 0.00 52.86 54.11 1njk s ASN 55 Cb 0.08 1.10 0.02 0.00 -0.55 0.00 0.00 41.25 41.90 1njk s ASN 55 CO 0.60 -0.19 -0.10 -0.63 -2.79 0.00 0.00 177.10 174.00 1njk s ILE 56 N 0.29 1.05 -0.28 -5.21 1.01 -1.26 -0.60 121.20 116.20 1njk s ILE 56 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1njk s ILE 56 Cb -0.04 -1.02 0.08 0.00 0.01 0.00 0.00 42.46 41.49 1njk s ILE 56 CO 0.01 0.36 -0.01 0.21 0.00 0.00 0.00 174.94 175.51 1njk s ASN 57 N 1.21 4.29 -0.07 3.58 3.04 -0.72 -5.00 114.94 121.26 1njk s ASN 57 Ca -0.04 -1.61 0.05 0.00 0.04 0.00 0.00 52.86 51.30 1njk s ASN 57 Cb -0.14 -1.35 -0.01 0.00 -1.54 0.00 0.00 41.25 38.21 1njk s ASN 57 CO -0.03 -0.30 -0.24 -0.51 -3.04 0.00 0.00 177.10 172.98 1njk s ILE 58 N 1.21 2.13 -0.22 -5.21 2.07 -1.26 -1.62 121.20 118.30 1njk s ILE 58 Ca 0.01 -1.03 -0.09 0.00 -1.41 0.00 0.00 60.65 58.14 1njk s ILE 58 Cb -0.19 -1.79 -0.04 0.00 0.13 0.00 0.00 42.46 40.57 1njk s ILE 58 CO -0.09 0.57 0.11 0.20 -1.91 0.00 0.00 174.94 173.81 1njk s ASN 59 N -0.02 5.77 -0.32 4.50 0.01 -0.07 -4.99 114.94 119.82 1njk s ASN 59 Ca -0.08 0.04 -0.12 0.00 -0.71 0.00 0.00 52.86 51.99 1njk s ASN 59 Cb -0.15 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 1njk s ASN 59 CO 0.05 0.08 0.22 -0.31 -1.51 0.00 0.00 177.10 175.63 1njk s TYR 60 N 0.95 3.22 0.00 2.20 1.51 -1.26 -1.90 117.35 122.07 1njk s TYR 60 Ca 0.06 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1njk s TYR 60 Cb -0.13 -2.44 0.00 0.00 -0.11 0.00 0.00 41.96 39.27 1njk s TYR 60 CO 0.03 -0.30 0.00 0.54 -1.11 0.00 0.00 175.55 174.71 1njk n ARG 61 N 5.09 0.00 -2.31 -0.62 1.74 0.25 -4.98 116.66 115.83 1njk n ARG 61 Ca -0.13 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.52 1njk n ARG 61 Cb 0.50 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.92 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 1.42 4.25 0.21 5.56 3.52 -1.07 -4.96 118.95 127.87 1njk s ARG 62 Ca 0.00 1.82 -0.31 0.00 -0.13 0.00 0.00 55.73 57.11 1njk s ARG 62 Cb 0.00 -3.74 -0.10 0.00 -1.56 0.00 0.00 34.95 29.55 1njk s ARG 62 CO 0.00 -0.67 1.46 -2.14 -0.81 0.00 0.00 175.30 173.14 1njk s PRO 63 N 3.20 4.27 0.18 5.12 0.02 -1.26 -4.47 135.00 142.05 1njk s PRO 63 Ca 0.60 2.27 -0.27 0.00 0.02 0.00 0.00 61.00 63.62 1njk s PRO 63 Cb -0.26 -3.14 -0.08 0.00 0.02 0.00 0.00 34.50 31.04 1njk s PRO 63 CO 0.21 -0.45 0.85 0.00 -0.33 0.00 0.00 177.00 177.27 1njk s ALA 64 N 0.42 3.39 0.46 -1.55 0.00 -1.26 -4.94 121.76 118.28 1njk s ALA 64 Ca 0.62 0.47 0.03 0.00 0.00 0.00 0.00 51.96 53.08 1njk s ALA 64 Cb -0.41 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1njk s ALA 64 CO 0.38 0.21 0.01 0.14 0.00 0.00 0.00 175.76 176.51 1njk s VAL 65 N -0.96 1.41 0.06 0.00 -7.23 -1.26 -1.34 120.40 111.08 1njk s VAL 65 Ca 0.39 -2.00 -0.36 0.00 -1.81 0.00 0.00 61.98 58.19 1njk s VAL 65 Cb -0.24 -2.48 -0.16 0.00 0.56 0.00 0.00 36.38 34.06 1njk s VAL 65 CO 0.28 0.00 1.44 -0.11 -0.31 0.00 0.00 175.10 176.40 1njk n LEU 66 N -1.12 2.04 0.00 1.32 7.94 -1.26 -1.73 117.00 124.19 1njk n LEU 66 Ca -0.13 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1njk n LEU 66 Cb 0.67 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.38 1njk n LEU 66 CO 0.42 -0.81 0.00 -1.20 -1.11 0.00 0.00 177.39 174.68 1njk n SER 67 N 3.09 0.00 -4.77 1.96 7.64 0.10 -5.01 113.62 116.62 1njk n SER 67 Ca 0.19 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 1njk n SER 67 Cb 0.21 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 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 -3.26 6.54 -0.34 6.43 1.01 -0.71 -4.67 116.67 121.67 1njk s ASP 68 Ca 0.00 2.88 -0.12 0.00 0.71 0.00 0.00 52.55 56.02 1njk s ASP 68 Cb 0.00 -2.66 -0.00 0.00 1.01 0.00 0.00 42.92 41.27 1njk s ASP 68 CO 0.00 -0.72 0.21 -0.22 0.21 0.00 0.00 175.17 174.65 1njk s LEU 69 N -1.96 4.45 -0.09 1.23 2.96 -1.26 -1.04 118.68 122.97 1njk s LEU 69 Ca 0.51 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1njk s LEU 69 Cb -0.43 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1njk s LEU 69 CO 0.58 -0.26 0.13 -0.76 -1.32 0.00 0.00 176.35 174.72 1njk s LEU 70 N 1.65 4.29 -0.13 -0.68 1.43 0.18 -1.00 118.68 124.42 1njk s LEU 70 Ca 0.05 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1njk s LEU 70 Cb -0.18 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1njk s LEU 70 CO 0.08 0.37 -0.15 -0.89 0.23 0.00 0.00 176.35 175.99 1njk s THR 71 N -1.08 2.83 -0.26 5.49 2.01 0.18 -0.68 115.64 124.12 1njk s THR 71 Ca 0.18 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1njk s THR 71 Cb -0.12 -2.17 0.01 0.00 0.01 0.00 0.00 72.50 70.23 1njk s THR 71 CO 0.07 0.53 0.00 -0.63 -0.69 0.00 0.00 174.62 173.90 1njk s ILE 72 N 0.42 3.43 -0.21 1.82 1.01 0.12 -0.87 121.20 126.91 1njk s ILE 72 Ca -0.12 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 1njk s ILE 72 Cb -0.16 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1njk s ILE 72 CO 0.06 0.20 0.01 -0.89 0.00 0.00 0.00 174.94 174.31 1njk s THR 73 N 1.43 3.96 0.05 2.92 2.01 0.07 -1.62 115.64 124.46 1njk s THR 73 Ca 0.02 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1njk s THR 73 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1njk s THR 73 CO -0.01 0.41 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.68 1njk s SER 74 N 1.13 2.52 -0.24 3.53 0.01 -1.26 -0.67 113.70 118.73 1njk s SER 74 Ca 0.03 -0.53 -0.25 0.00 1.31 0.00 0.00 55.95 56.51 1njk s SER 74 Cb -0.14 -0.21 0.07 0.00 0.21 0.00 0.00 66.02 65.95 1njk s SER 74 CO 0.02 0.16 0.69 0.00 0.41 0.00 0.00 173.24 174.52 1njk s GLN 75 N -1.21 0.84 0.07 12.44 -2.07 -0.39 -4.57 119.66 124.77 1njk s GLN 75 Ca 0.08 0.88 -0.31 0.00 -1.82 0.00 0.00 55.36 54.19 1njk s GLN 75 Cb -0.09 0.41 -0.07 0.00 -1.09 0.00 0.00 33.01 32.17 1njk s GLN 75 CO 0.02 -0.12 1.47 -1.17 -1.32 0.00 0.00 175.29 174.16 1njk s LEU 76 N 0.19 4.35 -0.23 2.60 2.96 -1.26 -0.95 118.68 126.34 1njk s LEU 76 Ca -0.01 2.31 0.04 0.00 -0.22 0.00 0.00 54.13 56.25 1njk s LEU 76 Cb -0.04 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.88 1njk s LEU 76 CO 0.02 -0.74 -0.09 1.67 -1.32 0.00 0.00 176.35 175.89 1njk n GLN 77 N 4.83 0.67 -3.74 1.98 7.27 0.24 -4.89 117.38 123.73 1njk n GLN 77 Ca 0.13 0.14 -0.11 0.00 0.07 0.00 0.00 57.00 57.24 1njk n GLN 77 Cb 0.42 -1.55 -0.06 0.00 2.41 0.00 0.00 30.24 31.46 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 -2.52 0.90 -0.42 3.69 -0.21 -0.98 -4.95 119.66 115.17 1njk s GLN 78 Ca -0.29 -0.67 0.05 0.00 0.02 0.00 0.00 55.36 54.48 1njk s GLN 78 Cb 0.08 0.39 0.19 0.00 1.00 0.00 0.00 33.01 34.67 1njk s GLN 78 CO 0.66 -0.31 0.45 1.28 -2.12 0.00 0.00 175.29 175.25 1njk n LEU 79 N 0.18 -0.82 -4.76 2.90 4.77 -1.26 -0.39 117.00 117.61 1njk n LEU 79 Ca -0.17 -4.22 -0.36 0.00 -0.03 0.00 0.00 56.01 51.24 1njk n LEU 79 Cb 0.61 0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 42.23 1njk n LEU 79 CO 0.20 1.92 -0.22 0.20 -1.33 0.00 0.00 177.39 178.16 1njk s ASN 80 N -0.16 5.92 0.28 -1.43 0.01 0.48 -4.88 114.94 115.16 1njk s ASN 80 Ca 0.33 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.76 1njk s ASN 80 Cb 0.07 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.83 1njk s ASN 80 CO -0.17 0.33 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 1njk n GLY 81 N 2.53 0.53 0.62 0.66 0.00 -1.26 -0.37 105.19 107.90 1njk n GLY 81 Ca -0.18 0.75 0.05 0.00 0.00 0.00 0.00 46.02 46.64 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 1.61 -3.55 1.61 4.01 -1.26 -2.08 118.16 118.50 1njk n LYS 82 Ca 0.00 -3.20 -0.10 0.00 -0.51 0.00 0.00 58.31 54.51 1njk n LYS 82 Cb 0.00 -1.64 -0.02 0.00 -0.51 0.00 0.00 35.03 32.86 1njk n LYS 82 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1njk s SER 83 N -3.08 -0.44 0.26 4.39 1.04 0.50 -4.48 113.70 111.90 1njk s SER 83 Ca 0.38 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.68 1njk s SER 83 Cb 0.36 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 67.01 1njk s SER 83 CO -0.05 -0.97 0.08 -0.83 0.98 0.00 0.00 173.24 172.45 1njk s GLY 84 N -2.75 1.71 -0.13 7.32 0.00 -0.23 -0.39 107.32 112.86 1njk s GLY 84 Ca 0.05 -1.86 -0.01 0.00 0.00 0.00 0.00 44.72 42.90 1njk s GLY 84 CO -0.07 -1.61 -0.05 -0.42 0.00 0.00 0.00 173.10 170.94 1njk s ILE 85 N -3.68 0.94 -0.18 0.90 1.01 0.47 -1.66 121.20 119.00 1njk s ILE 85 Ca 0.36 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1njk s ILE 85 Cb 0.08 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1njk s ILE 85 CO 0.13 0.24 0.06 -0.22 0.00 0.00 0.00 174.94 175.15 1njk s LEU 86 N 1.73 3.79 -0.10 2.97 2.96 0.12 0.82 118.68 130.96 1njk s LEU 86 Ca 0.03 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.91 1njk s LEU 86 Cb -0.14 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1njk s LEU 86 CO -0.08 0.19 0.25 -0.94 -1.32 0.00 0.00 176.35 174.45 1njk s SER 87 N 0.29 6.50 -0.08 3.68 1.04 -0.13 -0.31 113.70 124.70 1njk s SER 87 Ca 0.03 0.60 -0.01 0.00 0.48 0.00 0.00 55.95 57.05 1njk s SER 87 Cb -0.12 -2.15 0.03 0.00 0.10 0.00 0.00 66.02 63.87 1njk s SER 87 CO 0.00 0.29 -0.02 -1.10 0.98 0.00 0.00 173.24 173.39 1njk s GLN 88 N -0.54 0.86 -0.08 4.02 -0.21 -0.42 -1.26 119.66 122.02 1njk s GLN 88 Ca 0.17 -0.00 0.05 0.00 0.02 0.00 0.00 55.36 55.60 1njk s GLN 88 Cb -0.13 -1.12 -0.00 0.00 1.00 0.00 0.00 33.01 32.75 1njk s GLN 88 CO 0.06 -0.27 -0.24 0.08 -2.12 0.00 0.00 175.29 172.79 1njk s VAL 89 N 1.82 2.07 -0.21 1.09 1.01 0.16 -0.59 120.40 125.75 1njk s VAL 89 Ca 0.04 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1njk s VAL 89 Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1njk s VAL 89 CO -0.06 0.56 0.03 -0.63 0.00 0.00 0.00 175.10 175.01 1njk s ILE 90 N 0.12 4.23 0.18 2.22 1.01 0.12 -0.75 121.20 128.33 1njk s ILE 90 Ca -0.12 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.40 1njk s ILE 90 Cb -0.16 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1njk s ILE 90 CO 0.07 0.41 -0.20 0.42 0.00 0.00 0.00 174.94 175.64 1njk s THR 91 N 1.02 1.99 -0.14 2.92 -4.23 -0.05 -0.15 115.64 117.00 1njk s THR 91 Ca 0.03 -1.99 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 1njk s THR 91 Cb -0.14 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1njk s THR 91 CO 0.02 -0.29 0.38 -0.22 -0.54 0.00 0.00 174.62 173.98 1njk s LEU 92 N -2.76 4.26 0.33 4.79 2.96 -0.11 -0.65 118.68 127.51 1njk s LEU 92 Ca 0.18 0.66 -0.17 0.00 -0.22 0.00 0.00 54.13 54.58 1njk s LEU 92 Cb -0.06 -2.53 -0.09 0.00 0.50 0.00 0.00 46.19 44.01 1njk s LEU 92 CO 0.08 0.05 0.78 -1.61 -1.32 0.00 0.00 176.35 174.32 1njk s GLU 93 N 0.56 4.07 0.00 1.98 0.41 -0.17 0.14 118.70 125.69 1njk s GLU 93 Ca 0.21 0.78 0.22 0.00 -0.41 0.00 0.00 54.97 55.77 1njk s GLU 93 Cb -0.14 -2.44 -0.11 0.00 -1.78 0.00 0.00 34.13 29.67 1njk s GLU 93 CO 0.07 0.15 0.95 -0.35 -0.49 0.00 0.00 175.26 175.59 1njk n PRO 94 N -0.30 0.09 0.24 0.39 -0.04 -1.26 -4.60 135.00 129.52 1njk n PRO 94 Ca 0.04 -0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.61 1njk n PRO 94 Cb 0.53 -1.51 0.40 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.00 0.00 0.00 0.54 5.08 -2.00 -3.48 114.58 114.72 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 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1njk h GLU 95 CO 0.00 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1njk n GLY 96 N 0.60 0.76 3.77 -3.84 0.00 0.12 -5.03 105.19 101.57 1njk n GLY 96 Ca 0.02 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.34 3.95 -0.10 1.61 1.11 -1.22 -4.61 119.66 118.06 1njk s GLN 97 Ca 0.00 2.27 -0.30 0.00 0.01 0.00 0.00 55.36 57.34 1njk s GLN 97 Cb 0.00 -2.79 -0.02 0.00 -1.01 0.00 0.00 33.01 29.20 1njk s GLN 97 CO 0.00 -0.54 1.11 0.08 0.01 0.00 0.00 175.29 175.95 1njk s VAL 98 N -1.22 4.52 -0.22 1.09 1.01 -1.26 -0.93 120.40 123.38 1njk s VAL 98 Ca 0.57 1.82 -0.06 0.00 0.00 0.00 0.00 61.98 64.30 1njk s VAL 98 Cb -0.40 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.62 1njk s VAL 98 CO 0.52 -0.03 -0.04 0.52 0.00 0.00 0.00 175.10 176.08 1njk n VAL 99 N 4.72 1.58 -3.51 2.92 0.31 0.78 -2.61 118.33 122.52 1njk n VAL 99 Ca 0.10 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.81 1njk n VAL 99 Cb 0.47 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.69 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 -2.51 -1.79 -0.06 3.52 0.00 -1.08 -0.58 121.76 119.26 1njk s ALA 100 Ca -0.32 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 1njk s ALA 100 Cb 0.09 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1njk s ALA 100 CO 0.62 -0.49 0.14 0.16 0.00 0.00 0.00 175.76 176.19 1njk s ASP 101 N -1.72 -0.12 0.07 0.00 -4.77 -0.80 0.10 116.67 109.43 1njk s ASP 101 Ca -0.03 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.51 1njk s ASP 101 Cb -0.01 0.22 -0.04 0.00 -1.09 0.00 0.00 42.92 42.01 1njk s ASP 101 CO -0.00 -0.11 -0.05 0.00 0.70 0.00 0.00 175.17 175.71 1njk s ALA 102 N 0.77 0.71 -0.13 2.11 0.00 0.24 -0.89 121.76 124.57 1njk s ALA 102 Ca -0.06 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.66 1njk s ALA 102 Cb -0.08 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1njk s ALA 102 CO -0.04 -0.31 -0.21 -0.51 0.00 0.00 0.00 175.76 174.69 1njk s LEU 103 N -2.97 2.05 -0.27 0.00 1.43 -0.64 -1.31 118.68 116.97 1njk s LEU 103 Ca 0.09 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1njk s LEU 103 Cb 0.07 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1njk s LEU 103 CO -0.08 0.09 0.04 -0.63 0.23 0.00 0.00 176.35 176.00 1njk s ILE 104 N 0.74 3.80 -0.18 -0.59 1.09 0.58 -1.75 121.20 124.88 1njk s ILE 104 Ca -0.10 -0.63 -0.12 0.00 -1.10 0.00 0.00 60.65 58.71 1njk s ILE 104 Cb -0.16 -2.90 -0.05 0.00 -1.06 0.00 0.00 42.46 38.30 1njk s ILE 104 CO 0.00 0.18 0.22 -0.89 -0.10 0.00 0.00 174.94 174.36 1njk s THR 105 N 1.49 5.35 0.19 2.92 2.01 0.24 -0.70 115.64 127.14 1njk s THR 105 Ca 0.03 0.39 -0.00 0.00 0.31 0.00 0.00 61.69 62.42 1njk s THR 105 Cb -0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1njk s THR 105 CO 0.01 0.41 0.09 0.72 -0.69 0.00 0.00 174.62 175.16 1njk s PHE 106 N 0.41 1.19 0.13 4.92 -0.12 -0.66 -0.62 117.98 123.22 1njk s PHE 106 Ca 0.13 -1.25 0.01 0.00 -0.05 0.00 0.00 56.93 55.77 1njk s PHE 106 Cb -0.12 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.59 1njk s PHE 106 CO 0.01 -0.48 -0.02 0.14 -0.05 0.00 0.00 175.22 174.82 1njk s VAL 107 N -3.97 0.58 -0.34 -2.49 -7.23 -0.27 -1.07 120.40 105.61 1njk s VAL 107 Ca 0.33 -1.94 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1njk s VAL 107 Cb 0.07 -1.90 0.07 0.00 0.56 0.00 0.00 36.38 35.19 1njk s VAL 107 CO 0.09 -0.66 0.08 0.00 -0.31 0.00 0.00 175.10 174.30 1njk s ILE 109 N 1.20 3.36 -0.17 0.00 2.07 -0.83 -0.43 121.20 126.39 1njk s ILE 109 Ca 0.01 -0.60 -0.06 0.00 -1.41 0.00 0.00 60.65 58.59 1njk s ILE 109 Cb -0.21 -2.37 -0.04 0.00 0.13 0.00 0.00 42.46 39.98 1njk s ILE 109 CO -0.02 0.58 0.04 -1.81 -1.91 0.00 0.00 174.94 171.81 1njk s ASP 110 N -0.52 5.42 0.00 4.50 -0.00 -1.25 -2.11 116.67 122.72 1njk s ASP 110 Ca 0.07 0.03 0.03 0.00 -0.00 0.00 0.00 52.55 52.69 1njk s ASP 110 Cb -0.12 -1.92 0.18 0.00 -0.00 0.00 0.00 42.92 41.07 1njk s ASP 110 CO 0.02 0.18 0.82 0.18 -0.00 0.00 0.00 175.17 176.36 1njk n LEU 111 N 3.51 0.00 -0.04 1.23 4.77 -1.26 0.54 117.00 125.75 1njk n LEU 111 Ca -0.17 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 1njk n LEU 111 Cb 0.52 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1njk n LEU 111 CO 0.35 -0.14 0.53 0.07 -1.33 0.00 0.00 177.39 176.87 1njk h LYS 112 N 0.00 0.22 0.00 3.23 2.10 -1.93 -3.36 116.57 116.84 1njk h LYS 112 Ca 0.00 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1njk h LYS 112 Cb 0.02 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1njk h LYS 112 CO 0.00 0.75 -1.08 -2.37 -2.00 0.00 0.00 179.45 174.75 1njk n THR 113 N -4.59 0.00 -3.38 0.07 5.66 -0.98 -5.02 114.28 106.04 1njk n THR 113 Ca -0.08 -0.21 -0.19 0.00 -3.05 0.00 0.00 64.05 60.53 1njk n THR 113 Cb 0.39 0.50 0.07 0.00 -1.55 0.00 0.00 70.33 69.74 1njk n THR 113 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1njk n GLN 114 N -1.61 -6.52 -4.01 1.09 -0.06 0.19 -5.02 117.38 101.43 1njk n GLN 114 Ca -0.01 0.73 -0.09 0.00 -2.00 0.00 0.00 57.00 55.63 1njk n GLN 114 Cb 0.17 -5.46 -0.11 0.00 -4.06 0.00 0.00 30.24 20.78 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 -5.76 0.40 0.00 3.69 -0.14 -1.25 -4.96 119.74 111.72 1njk s LYS 115 Ca 0.31 -0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 1njk s LYS 115 Cb -0.13 0.05 -0.07 0.00 -1.68 0.00 0.00 37.83 36.00 1njk s LYS 115 CO 0.64 -0.04 1.62 0.00 -0.76 0.00 0.00 175.35 176.80 1njk s ALA 116 N -1.84 3.64 0.35 5.17 0.00 -1.26 -3.74 121.76 124.07 1njk s ALA 116 Ca -0.11 1.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 1njk s ALA 116 Cb -0.07 -3.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.29 1njk s ALA 116 CO -0.02 -1.21 0.66 -0.51 0.00 0.00 0.00 175.76 174.68 1njk s LEU 117 N 3.24 3.94 0.00 0.00 1.43 0.42 -4.92 118.68 122.79 1njk s LEU 117 Ca 0.72 0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 54.51 1njk s LEU 117 Cb -0.36 -3.76 0.34 0.00 0.03 0.00 0.00 46.19 42.44 1njk s LEU 117 CO 0.30 -0.30 1.02 0.00 0.23 0.00 0.00 176.35 177.60 1njk n ALA 118 N -1.14 -4.11 -3.27 4.21 0.00 -1.26 -4.48 120.51 110.46 1njk n ALA 118 Ca 0.00 -1.61 -0.24 0.00 0.00 0.00 0.00 53.44 51.60 1njk n ALA 118 Cb 0.54 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1njk n ALA 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1njk n LEU 119 N 0.00 -0.65 0.00 0.00 4.77 -0.88 -4.79 117.00 115.45 1njk n LEU 119 Ca 0.15 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 51.83 1njk n LEU 119 Cb 0.60 0.60 0.00 0.00 -2.33 0.00 0.00 43.42 42.29 1njk n LEU 119 CO 0.40 1.92 0.00 -1.84 -1.33 0.00 0.00 177.39 176.55 1njk n GLU 120 N 2.45 0.00 0.00 3.23 0.28 -1.26 -4.37 120.64 120.96 1njk n GLU 120 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 1njk n GLU 120 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1njk n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1njk n GLY 121 N 0.29 -2.02 1.98 -1.84 0.00 -1.26 -3.52 105.19 98.81 1njk n GLY 121 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 1.83 0.08 1.61 1.02 -1.26 -4.06 120.64 119.85 1njk n GLU 122 Ca 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 1njk n GLU 122 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 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 0.97 -0.82 0.28 -4.62 4.77 -1.26 -4.91 117.00 111.40 1njk n LEU 123 Ca 0.31 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.43 1njk n LEU 123 Cb 0.60 0.94 -0.07 0.00 -2.33 0.00 0.00 43.42 42.56 1njk n LEU 123 CO 0.27 -0.42 0.52 -0.09 -1.33 0.00 0.00 177.39 176.34 1njk h ARG 124 N 0.00 -0.81 -0.99 3.23 2.43 -1.70 -2.74 114.38 113.80 1njk h ARG 124 Ca 0.00 0.06 0.22 0.00 -0.81 0.00 0.00 59.98 59.44 1njk h ARG 124 Cb 0.00 0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 29.62 1njk h ARG 124 CO 0.00 -0.54 0.58 0.93 -1.51 0.00 0.00 179.97 179.42 1njk h GLU 125 N -0.84 0.62 0.00 0.20 5.08 -1.73 0.84 114.58 118.74 1njk h GLU 125 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1njk h GLU 125 Cb 0.69 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1njk h GLU 125 CO 0.03 0.41 0.00 0.36 -1.00 0.00 0.00 179.01 178.82 1njk n LYS 126 N -4.85 0.55 -0.07 2.33 2.85 -1.16 -2.67 118.16 115.15 1njk n LYS 126 Ca 0.25 0.03 -0.07 0.00 -1.05 0.00 0.00 58.31 57.47 1njk n LYS 126 Cb 0.65 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.42 1njk n LYS 126 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1njk n LEU 127 N -1.14 0.00 -0.07 -5.58 4.77 0.26 -4.59 117.00 110.66 1njk n LEU 127 Ca 0.15 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1njk n LEU 127 Cb 0.13 0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1njk n LEU 127 CO 0.16 0.34 0.97 -0.33 -1.33 0.00 0.00 177.39 177.19 1njk h GLU 128 N 0.00 0.34 -2.43 3.23 5.08 -0.57 -3.20 114.58 117.03 1njk h GLU 128 Ca -0.37 -0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.39 1njk h GLU 128 Cb 1.84 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.92 1njk h GLU 128 CO 0.02 0.24 1.71 0.00 -1.00 0.00 0.00 179.01 179.98 1njk n GLN 129 N -4.90 3.40 -0.03 2.33 10.64 -1.22 -3.10 117.38 124.50 1njk n GLN 129 Ca -0.02 -2.50 0.03 0.00 -1.83 0.00 0.00 57.00 52.67 1njk n GLN 129 Cb 0.03 -2.43 0.05 0.00 -0.86 0.00 0.00 30.24 27.03 1njk n GLN 129 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1njk n VAL 131 N 2.00 -0.02 -0.58 -0.39 3.14 -1.21 -4.73 118.33 116.54 1njk n VAL 131 Ca 0.59 0.12 0.00 0.00 -2.96 0.00 0.00 64.34 62.09 1njk n VAL 131 Cb 0.44 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 1njk n VAL 131 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66