#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3njk s PRO 4 N 0.00 4.49 0.53 0.00 0.04 -1.26 -5.05 135.00 133.76 3njk s PRO 4 Ca 0.00 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.09 3njk s PRO 4 Cb 0.00 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.42 3njk s PRO 4 CO 0.00 -0.03 0.65 -0.65 0.04 0.00 0.00 177.00 177.00 3njk s GLN 5 N -1.02 2.39 0.00 4.56 1.11 -1.26 -5.14 119.66 120.30 3njk s GLN 5 Ca 0.50 -1.65 0.00 0.00 0.01 0.00 0.00 55.36 54.21 3njk s GLN 5 Cb -0.35 -2.53 0.00 0.00 -1.01 0.00 0.00 33.01 29.12 3njk s GLN 5 CO 0.42 -0.67 0.00 0.41 0.01 0.00 0.00 175.29 175.47 3njk n GLY 6 N -2.03 5.70 3.69 3.09 0.00 -1.26 -4.95 105.19 109.43 3njk n GLY 6 Ca 0.10 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 3njk n GLY 6 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3njk s LEU 7 N 0.00 3.74 -0.26 0.99 2.96 -0.86 -4.96 118.68 120.29 3njk s LEU 7 Ca 0.00 0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 3njk s LEU 7 Cb 0.00 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3njk s LEU 7 CO 0.00 0.33 0.02 0.00 -1.32 0.00 0.00 176.35 175.38 3njk s ALA 8 N -0.57 2.93 -0.02 5.97 0.00 -1.26 -1.26 121.76 127.56 3njk s ALA 8 Ca 0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 3njk s ALA 8 Cb -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 3njk s ALA 8 CO 0.02 -0.74 0.15 -0.65 0.00 0.00 0.00 175.76 174.54 3njk s GLN 9 N 1.47 3.32 -0.10 0.00 -0.21 -0.27 -4.99 119.66 118.88 3njk s GLN 9 Ca 0.03 -0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.06 3njk s GLN 9 Cb -0.16 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 30.84 3njk s GLN 9 CO -0.00 0.68 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.68 3njk s PHE 10 N -1.26 1.53 -0.02 0.91 0.08 -1.26 -0.69 117.98 117.27 3njk s PHE 10 Ca 0.25 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.61 3njk s PHE 10 Cb -0.12 -1.21 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 3njk s PHE 10 CO 0.16 -0.45 -0.07 0.42 -0.10 0.00 0.00 175.22 175.19 3njk s ILE 11 N 1.32 0.59 -0.14 0.64 1.01 -0.29 -3.81 121.20 120.53 3njk s ILE 11 Ca -0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 3njk s ILE 11 Cb -0.14 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 3njk s ILE 11 CO -0.04 0.19 0.29 -0.75 0.00 0.00 0.00 174.94 174.62 3njk s LYS 12 N 0.20 4.12 -0.63 2.79 2.20 -0.27 -1.73 119.74 126.42 3njk s LYS 12 Ca -0.03 0.10 -0.13 0.00 -0.36 0.00 0.00 55.97 55.55 3njk s LYS 12 Cb -0.07 -3.37 0.16 0.00 -1.51 0.00 0.00 37.83 33.04 3njk s LYS 12 CO 0.00 0.36 0.55 0.08 -0.36 0.00 0.00 175.35 175.99 3njk s VAL 13 N 0.09 5.06 -0.06 4.02 1.01 0.49 -1.29 120.40 129.72 3njk s VAL 13 Ca 0.17 -1.96 -0.20 0.00 0.00 0.00 0.00 61.98 59.99 3njk s VAL 13 Cb -0.13 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3njk s VAL 13 CO 0.05 -0.91 0.57 0.20 0.00 0.00 0.00 175.10 175.01 3njk s ASN 14 N 2.78 6.86 -0.14 3.32 0.01 0.08 -0.45 114.94 127.40 3njk s ASN 14 Ca 0.09 1.02 0.01 0.00 -0.71 0.00 0.00 52.86 53.27 3njk s ASN 14 Cb -0.22 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.12 3njk s ASN 14 CO -0.02 0.02 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.75 3njk s VAL 15 N 0.34 1.56 0.44 1.60 1.01 -0.45 -0.56 120.40 124.32 3njk s VAL 15 Ca 0.30 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3njk s VAL 15 Cb -0.17 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 3njk s VAL 15 CO 0.15 0.46 0.04 0.42 0.00 0.00 0.00 175.10 176.16 3njk s THR 16 N 1.35 1.85 -0.12 3.92 -4.23 -0.52 -0.49 115.64 117.40 3njk s THR 16 Ca 0.02 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 3njk s THR 16 Cb -0.13 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 3njk s THR 16 CO -0.08 0.00 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.16 3njk s LEU 17 N -3.79 3.01 -0.10 4.79 1.43 -1.26 -0.32 118.68 122.44 3njk s LEU 17 Ca 0.30 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3njk s LEU 17 Cb 0.07 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3njk s LEU 17 CO 0.15 0.21 -0.13 -1.61 0.23 0.00 0.00 176.35 175.21 3njk s GLU 18 N 0.08 1.96 -1.54 1.70 2.02 -0.04 -4.76 118.70 118.12 3njk s GLU 18 Ca -0.03 -0.46 -0.14 0.00 0.02 0.00 0.00 54.97 54.36 3njk s GLU 18 Cb -0.14 -1.73 0.09 0.00 0.10 0.00 0.00 34.13 32.45 3njk s GLU 18 CO 0.04 -0.10 0.98 0.09 0.02 0.00 0.00 175.26 176.29 3njk n ASN 19 N 4.31 -4.81 0.00 -0.19 3.02 -1.26 -1.75 115.26 114.58 3njk n ASN 19 Ca -0.18 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3njk n ASN 19 Cb 0.51 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 3njk n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njk n GLY 20 N -1.68 0.73 3.26 7.41 0.00 -1.26 -5.01 105.19 108.64 3njk n GLY 20 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3njk n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3njk s GLU 21 N -0.23 1.07 0.31 1.61 0.41 -0.72 -5.05 118.70 116.11 3njk s GLU 21 Ca 0.00 -1.19 -0.28 0.00 -0.41 0.00 0.00 54.97 53.09 3njk s GLU 21 Cb 0.00 -1.15 -0.10 0.00 -1.78 0.00 0.00 34.13 31.10 3njk s GLU 21 CO 0.00 0.25 1.16 -1.25 -0.49 0.00 0.00 175.26 174.92 3njk s PRO 22 N -2.23 4.47 -0.09 0.39 0.04 -1.26 -0.86 135.00 135.47 3njk s PRO 22 Ca 0.07 1.89 0.03 0.00 0.04 0.00 0.00 61.00 63.03 3njk s PRO 22 Cb -0.08 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.41 3njk s PRO 22 CO 0.04 0.03 -0.18 0.08 0.04 0.00 0.00 177.00 177.01 3njk s VAL 23 N -1.22 1.64 -0.24 -0.36 1.01 0.57 -4.87 120.40 116.93 3njk s VAL 23 Ca 0.48 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 3njk s VAL 23 Cb -0.33 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3njk s VAL 23 CO 0.43 0.47 0.13 -0.36 0.00 0.00 0.00 175.10 175.76 3njk s PHE 24 N 0.57 3.24 -0.16 5.22 0.08 -1.26 -1.44 117.98 124.22 3njk s PHE 24 Ca -0.15 0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.95 3njk s PHE 24 Cb -0.17 -2.24 0.03 0.00 -0.57 0.00 0.00 43.02 40.07 3njk s PHE 24 CO 0.05 -0.04 -0.10 0.42 -0.10 0.00 0.00 175.22 175.45 3njk s ILE 25 N 1.15 1.44 -0.05 0.64 1.01 0.27 -4.99 121.20 120.67 3njk s ILE 25 Ca 0.06 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 3njk s ILE 25 Cb -0.14 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3njk s ILE 25 CO 0.05 0.30 0.47 -0.31 0.00 0.00 0.00 174.94 175.44 3njk s TYR 26 N 1.52 3.64 0.05 3.97 2.02 -1.26 -0.74 117.35 126.54 3njk s TYR 26 Ca 0.02 0.99 0.08 0.00 -0.37 0.00 0.00 57.07 57.79 3njk s TYR 26 Cb -0.14 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 38.94 3njk s TYR 26 CO -0.09 0.40 -0.22 0.95 -1.57 0.00 0.00 175.55 175.02 3njk s THR 27 N -0.24 1.81 0.41 -0.71 -4.23 -0.41 -0.85 115.64 111.42 3njk s THR 27 Ca 0.26 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3njk s THR 27 Cb -0.16 -1.57 0.08 0.00 1.34 0.00 0.00 72.50 72.19 3njk s THR 27 CO 0.13 0.23 0.56 -0.90 -0.54 0.00 0.00 174.62 174.10 3njk n ASP 28 N 1.76 0.80 0.18 3.99 5.68 -0.19 -1.12 116.55 127.66 3njk n ASP 28 Ca -0.17 -1.67 0.13 0.00 -0.50 0.00 0.00 54.79 52.58 3njk n ASP 28 Cb 0.53 -0.36 0.64 0.00 -1.14 0.00 0.00 41.12 40.79 3njk n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3njk h ALA 29 N -0.48 1.00 -0.65 2.12 0.00 -1.89 -1.63 119.26 117.72 3njk h ALA 29 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3njk h ALA 29 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3njk h ALA 29 CO 0.20 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.54 3njk n ASN 30 N -2.43 3.50 0.00 0.00 3.02 -1.26 -4.93 115.26 113.16 3njk n ASN 30 Ca -0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 3njk n ASN 30 Cb 0.13 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3njk n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njk n GLY 31 N 1.52 0.39 3.75 7.41 0.00 -0.61 -4.99 105.19 112.66 3njk n GLY 31 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3njk n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3njk s GLN 32 N -0.53 4.47 0.15 1.61 -0.21 -1.26 -4.81 119.66 119.08 3njk s GLN 32 Ca 0.00 1.02 -0.31 0.00 0.02 0.00 0.00 55.36 56.08 3njk s GLN 32 Cb 0.00 -3.34 -0.11 0.00 1.00 0.00 0.00 33.01 30.56 3njk s GLN 32 CO 0.00 0.35 1.75 0.08 -2.12 0.00 0.00 175.29 175.35 3njk s VAL 33 N -0.27 2.43 0.17 1.09 1.01 -1.26 -1.02 120.40 122.54 3njk s VAL 33 Ca 0.37 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.57 3njk s VAL 33 Cb -0.20 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3njk s VAL 33 CO 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 175.10 175.16 3njk h GLN 35 N 3.25 0.00 0.00 0.00 -0.00 -1.95 -3.36 115.11 113.05 3njk h GLN 35 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 3njk h GLN 35 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.68 3njk h GLN 35 CO 0.49 0.35 0.00 0.41 0.00 0.00 0.00 178.83 180.08 3njk n GLY 36 N -0.03 1.46 3.78 2.39 0.00 -1.26 -4.93 105.19 106.59 3njk n GLY 36 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3njk n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3njk s ASP 37 N -1.10 6.18 -0.05 1.61 1.01 -1.26 -4.63 116.67 118.43 3njk s ASP 37 Ca 0.00 2.19 0.03 0.00 0.71 0.00 0.00 52.55 55.48 3njk s ASP 37 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3njk s ASP 37 CO 0.00 -0.91 -0.14 -0.63 0.21 0.00 0.00 175.17 173.70 3njk s ILE 38 N -1.66 1.22 -0.18 0.77 1.01 -0.16 -4.97 121.20 117.22 3njk s ILE 38 Ca 0.65 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 3njk s ILE 38 Cb -0.25 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 3njk s ILE 38 CO 0.30 0.36 0.23 -0.89 0.00 0.00 0.00 174.94 174.94 3njk s THR 39 N 0.31 5.34 -0.20 2.92 2.01 -1.26 -0.08 115.64 124.69 3njk s THR 39 Ca -0.08 0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 3njk s THR 39 Cb -0.13 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 3njk s THR 39 CO 0.03 0.40 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.63 3njk s VAL 40 N 0.51 3.55 -0.48 3.82 1.01 0.87 -4.94 120.40 124.73 3njk s VAL 40 Ca 0.13 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.72 3njk s VAL 40 Cb -0.12 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3njk s VAL 40 CO 0.02 0.44 0.44 0.35 0.00 0.00 0.00 175.10 176.35 3njk n THR 41 N 4.38 0.00 -3.91 3.92 -2.24 -1.26 -0.65 114.28 114.52 3njk n THR 41 Ca -0.18 -0.43 -0.08 0.00 -2.27 0.00 0.00 64.05 61.09 3njk n THR 41 Cb 0.51 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 3njk n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njk s GLN 42 N -1.04 1.77 0.42 -0.78 -2.07 -1.26 -4.13 119.66 112.56 3njk s GLN 42 Ca 0.04 -1.16 -0.25 0.00 -1.82 0.00 0.00 55.36 52.17 3njk s GLN 42 Cb 0.04 0.56 -0.10 0.00 -1.09 0.00 0.00 33.01 32.42 3njk s GLN 42 CO 0.15 -0.79 1.20 0.00 -1.32 0.00 0.00 175.29 174.54 3njk n ALA 43 N -0.45 0.97 0.00 2.60 0.00 -1.26 -4.75 120.51 117.63 3njk n ALA 43 Ca -0.03 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3njk n ALA 43 Cb 0.60 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3njk n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3njk n GLY 44 N 0.92 -0.69 3.24 0.00 0.00 0.05 -2.02 105.19 106.68 3njk n GLY 44 Ca 0.07 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 3njk n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3njk s THR 45 N -3.00 1.27 -0.13 2.61 -4.23 -0.39 -1.43 115.64 110.34 3njk s THR 45 Ca 0.00 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3njk s THR 45 Cb 0.00 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.29 3njk s THR 45 CO 0.00 -0.49 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.84 3njk s ILE 46 N -2.40 1.36 -0.21 2.99 1.01 -0.55 -1.11 121.20 122.29 3njk s ILE 46 Ca 0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 3njk s ILE 46 Cb -0.03 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3njk s ILE 46 CO 0.02 0.42 -0.04 -0.89 0.00 0.00 0.00 174.94 174.46 3njk s THR 47 N 1.49 3.43 -0.23 2.92 2.01 0.13 -0.61 115.64 124.78 3njk s THR 47 Ca 0.03 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 3njk s THR 47 Cb -0.13 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 3njk s THR 47 CO -0.09 0.43 0.01 -0.31 -0.69 0.00 0.00 174.62 173.97 3njk s TYR 48 N 1.38 3.02 -0.21 4.92 2.02 0.14 -1.13 117.35 127.49 3njk s TYR 48 Ca 0.05 -0.67 -0.07 0.00 -0.37 0.00 0.00 57.07 56.00 3njk s TYR 48 Cb -0.14 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 3njk s TYR 48 CO -0.02 -0.45 0.07 -1.17 -1.57 0.00 0.00 175.55 172.41 3njk s LEU 49 N 1.54 3.67 -0.03 -1.29 2.96 -0.71 -1.79 118.68 123.03 3njk s LEU 49 Ca 0.06 -0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 3njk s LEU 49 Cb -0.15 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 3njk s LEU 49 CO 0.00 0.08 0.99 -0.22 -1.32 0.00 0.00 176.35 175.88 3njk s LEU 50 N 0.91 4.33 -0.53 -0.68 2.96 0.30 -0.38 118.68 125.59 3njk s LEU 50 Ca 0.04 1.62 0.03 0.00 -0.22 0.00 0.00 54.13 55.60 3njk s LEU 50 Cb -0.14 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.12 3njk s LEU 50 CO 0.03 -0.32 0.28 0.21 -1.32 0.00 0.00 176.35 175.23 3njk s ASN 51 N 1.04 4.43 -0.44 3.68 2.47 0.41 -4.92 114.94 121.59 3njk s ASN 51 Ca 0.51 -2.99 -0.25 0.00 0.42 0.00 0.00 52.86 50.55 3njk s ASN 51 Cb -0.20 -1.66 0.02 0.00 -1.45 0.00 0.00 41.25 37.96 3njk s ASN 51 CO 0.25 -0.25 0.89 -0.62 -3.72 0.00 0.00 177.10 173.65 3njk s ASP 52 N -0.16 6.51 -0.20 -4.21 2.15 -1.26 -1.34 116.67 118.15 3njk s ASP 52 Ca 0.17 0.15 0.16 0.00 0.43 0.00 0.00 52.55 53.46 3njk s ASP 52 Cb -0.25 -2.44 0.58 0.00 -0.30 0.00 0.00 42.92 40.51 3njk s ASP 52 CO -0.01 -0.99 1.48 0.00 -0.17 0.00 0.00 175.17 175.49 3njk n GLN 53 N 7.00 3.15 0.06 4.34 6.02 0.36 -4.64 117.38 133.68 3njk n GLN 53 Ca 0.05 -2.92 0.11 0.00 -0.01 0.00 0.00 57.00 54.24 3njk n GLN 53 Cb 0.48 -1.92 0.03 0.00 1.02 0.00 0.00 30.24 29.85 3njk n GLN 53 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3njk n THR 54 N -0.39 0.39 -1.32 5.09 -2.24 -1.21 -4.58 114.28 110.02 3njk n THR 54 Ca 0.24 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3njk n THR 54 Cb 0.96 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 3njk n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3njk n LEU 55 N -2.34 -0.51 -1.25 3.22 4.77 -1.26 -4.87 117.00 114.76 3njk n LEU 55 Ca 0.01 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.35 3njk n LEU 55 Cb 0.50 -2.37 0.29 0.00 -2.33 0.00 0.00 43.42 39.52 3njk n LEU 55 CO 0.40 -0.89 0.76 0.29 -1.33 0.00 0.00 177.39 176.62 3njk n LYS 56 N -1.47 3.24 -3.31 3.23 4.76 -1.26 -4.98 118.16 118.38 3njk n LYS 56 Ca -0.11 -2.65 -0.19 0.00 -2.87 0.00 0.00 58.31 52.49 3njk n LYS 56 Cb 0.52 -1.68 0.06 0.00 -1.84 0.00 0.00 35.03 32.09 3njk n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3njk n GLY 57 N 0.93 -0.22 3.77 0.72 0.00 -1.26 -0.81 105.19 108.33 3njk n GLY 57 Ca 0.22 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3njk n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njk s LEU 58 N -5.85 4.37 -0.00 0.99 1.43 -1.26 -3.80 118.68 114.56 3njk s LEU 58 Ca 0.44 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 3njk s LEU 58 Cb -0.19 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.29 3njk s LEU 58 CO 0.54 -0.59 -0.01 -0.54 0.23 0.00 0.00 176.35 175.99 3njk s LYS 59 N -1.91 0.09 0.35 1.70 1.02 -0.75 -4.95 119.74 115.29 3njk s LYS 59 Ca 0.51 -0.01 -0.28 0.00 0.02 0.00 0.00 55.97 56.21 3njk s LYS 59 Cb -0.38 -0.12 -0.11 0.00 -0.52 0.00 0.00 37.83 36.70 3njk s LYS 59 CO 0.50 -0.00 1.38 -0.06 -0.92 0.00 0.00 175.35 176.25 3njk s PHE 60 N 0.13 2.84 -0.09 3.18 0.08 0.65 -0.75 117.98 124.02 3njk s PHE 60 Ca -0.01 1.31 0.11 0.00 0.12 0.00 0.00 56.93 58.46 3njk s PHE 60 Cb -0.02 -3.83 -0.16 0.00 -0.57 0.00 0.00 43.02 38.44 3njk s PHE 60 CO -0.00 -2.36 0.11 0.28 -0.10 0.00 0.00 175.22 173.15 3njk n VAL 61 N 0.62 0.58 -3.66 -0.44 0.31 0.49 -4.53 118.33 111.71 3njk n VAL 61 Ca 0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 3njk n VAL 61 Cb 0.41 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 3njk n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3njk n GLY 62 N 2.12 -1.31 3.00 2.92 0.00 -1.11 -5.02 105.19 105.79 3njk n GLY 62 Ca -0.15 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 3njk n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3njk s VAL 63 N -3.00 1.27 0.10 1.61 1.01 -1.26 -1.50 120.40 118.63 3njk s VAL 63 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3njk s VAL 63 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3njk s VAL 63 CO 0.00 0.40 0.08 -0.83 0.00 0.00 0.00 175.10 174.74 3njk s GLY 64 N 1.18 1.93 -0.01 4.51 0.00 0.16 -4.95 107.32 110.13 3njk s GLY 64 Ca -0.04 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.60 3njk s GLY 64 CO -0.03 -1.07 -0.01 -1.36 0.00 0.00 0.00 173.10 170.62 3njk s PHE 65 N -1.46 0.26 0.11 1.90 0.08 -1.26 -0.75 117.98 116.86 3njk s PHE 65 Ca 0.29 -0.02 0.15 0.00 0.12 0.00 0.00 56.93 57.47 3njk s PHE 65 Cb -0.12 -0.27 0.37 0.00 -0.57 0.00 0.00 43.02 42.44 3njk s PHE 65 CO 0.22 -0.06 1.59 0.28 -0.10 0.00 0.00 175.22 177.14 3njk h VAL 66 N 5.63 1.09 -2.20 -0.44 2.07 -1.99 -3.33 116.25 117.08 3njk h VAL 66 Ca -0.34 -2.04 -0.60 0.00 0.82 0.00 0.00 66.70 64.55 3njk h VAL 66 Cb 1.17 2.20 -0.42 0.00 -1.52 0.00 0.00 31.29 32.72 3njk h VAL 66 CO 0.49 0.52 -0.65 0.35 0.02 0.00 0.00 177.57 178.30 3njk n THR 67 N -3.48 1.98 0.53 2.57 -2.24 -1.26 -4.96 114.28 107.41 3njk n THR 67 Ca 0.00 -5.07 0.08 0.00 -2.27 0.00 0.00 64.05 56.80 3njk n THR 67 Cb 0.64 -2.08 0.35 0.00 -2.10 0.00 0.00 70.33 67.13 3njk n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3njk n PRO 68 N 0.96 0.02 -0.66 -0.78 -0.04 -1.25 -2.67 135.00 130.58 3njk n PRO 68 Ca 0.29 0.25 0.05 0.00 -0.04 0.00 0.00 63.50 64.05 3njk n PRO 68 Cb 0.42 -1.54 0.30 0.00 -0.04 0.00 0.00 33.50 32.63 3njk n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3njk n PHE 69 N -1.59 1.43 0.99 0.54 3.72 -1.26 -4.55 117.46 116.73 3njk n PHE 69 Ca 0.04 -0.95 0.13 0.00 -0.05 0.00 0.00 57.45 56.62 3njk n PHE 69 Cb 0.19 -0.43 0.42 0.00 -0.94 0.00 0.00 39.48 38.73 3njk n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3njk n ASP 70 N -0.26 0.27 0.00 4.37 5.68 -1.09 -4.94 116.55 120.59 3njk n ASP 70 Ca 0.27 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 3njk n ASP 70 Cb 1.05 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 3njk n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njk n GLY 71 N 1.49 0.77 0.06 6.12 0.00 -1.26 -4.93 105.19 107.45 3njk n GLY 71 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3njk n GLY 71 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3njk h ILE 72 N 0.00 1.48 -3.45 -0.61 1.08 -1.92 -3.42 117.51 110.67 3njk h ILE 72 Ca 0.00 -1.43 -0.62 0.00 -0.39 0.00 0.00 64.86 62.42 3njk h ILE 72 Cb 0.00 2.43 -0.16 0.00 -3.07 0.00 0.00 36.82 36.02 3njk h ILE 72 CO 0.00 0.37 -0.54 -0.63 -0.69 0.00 0.00 178.15 176.66 3njk s ILE 73 N -3.80 4.98 0.05 -0.67 -1.09 -1.26 -4.62 121.20 114.79 3njk s ILE 73 Ca -0.16 0.04 -0.11 0.00 -2.23 0.00 0.00 60.65 58.19 3njk s ILE 73 Cb 0.01 -3.29 -0.32 0.00 -1.58 0.00 0.00 42.46 37.27 3njk s ILE 73 CO 0.68 0.40 1.06 -0.78 -1.23 0.00 0.00 174.94 175.08 3njk h ASP 74 N 7.21 0.69 -4.95 3.58 3.58 -1.23 -3.49 116.42 121.82 3njk h ASP 74 Ca -0.38 -0.73 -0.02 0.00 0.42 0.00 0.00 57.03 56.32 3njk h ASP 74 Cb 1.17 -0.23 -0.15 0.00 1.72 0.00 0.00 39.33 41.85 3njk h ASP 74 CO 0.67 1.57 0.23 0.00 -2.88 0.00 0.00 179.24 178.83 3njk s ALA 75 N -2.66 -1.68 -0.05 -0.78 0.00 -1.18 -4.99 121.76 110.42 3njk s ALA 75 Ca -0.07 0.82 0.05 0.00 0.00 0.00 0.00 51.96 52.75 3njk s ALA 75 Cb 0.05 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.70 3njk s ALA 75 CO 0.92 -0.63 -0.20 0.08 0.00 0.00 0.00 175.76 175.94 3njk s VAL 76 N -2.82 1.65 0.19 0.00 1.01 -1.26 -1.39 120.40 117.78 3njk s VAL 76 Ca -0.03 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.22 3njk s VAL 76 Cb -0.01 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3njk s VAL 76 CO -0.05 0.47 -0.22 0.42 0.00 0.00 0.00 175.10 175.72 3njk s THR 77 N 0.00 2.18 0.00 3.92 -4.23 -0.08 -4.98 115.64 112.46 3njk s THR 77 Ca -0.05 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3njk s THR 77 Cb -0.13 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 3njk s THR 77 CO 0.03 -0.22 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.24 3njk s ILE 78 N -1.89 0.19 0.55 2.99 1.09 -1.26 -0.60 121.20 122.26 3njk s ILE 78 Ca 0.20 -0.27 -0.10 0.00 -1.10 0.00 0.00 60.65 59.38 3njk s ILE 78 Cb -0.07 -0.20 -0.05 0.00 -1.06 0.00 0.00 42.46 41.09 3njk s ILE 78 CO 0.09 -0.06 0.93 -0.94 -0.10 0.00 0.00 174.94 174.86 3njk s SER 79 N -0.36 6.31 0.54 3.58 1.04 -0.49 -4.96 113.70 119.35 3njk s SER 79 Ca -0.02 1.26 0.29 0.00 0.48 0.00 0.00 55.95 57.96 3njk s SER 79 Cb -0.03 -2.39 1.53 0.00 0.10 0.00 0.00 66.02 65.23 3njk s SER 79 CO -0.00 -0.71 2.09 0.77 0.98 0.00 0.00 173.24 176.37 3njk h SER 80 N 0.12 0.00 -0.02 7.02 4.64 -1.99 -1.68 113.55 121.63 3njk h SER 80 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3njk h SER 80 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3njk h SER 80 CO 0.62 0.10 0.00 -0.90 -0.87 0.00 0.00 176.83 175.78 3njk n ASP 81 N -3.56 2.01 -0.20 4.97 5.68 -1.26 -4.95 116.55 119.24 3njk n ASP 81 Ca -0.02 -1.67 -0.03 0.00 -0.50 0.00 0.00 54.79 52.58 3njk n ASP 81 Cb 0.23 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.19 3njk n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njk n GLY 82 N 1.23 0.51 0.08 6.12 0.00 -0.63 -4.83 105.19 107.67 3njk n GLY 82 Ca 0.17 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3njk n GLY 82 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3njk h MET 83 N 0.40 0.00 -4.83 1.61 2.86 -1.88 0.18 114.93 113.28 3njk h MET 83 Ca -0.05 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.18 3njk h MET 83 Cb 0.49 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 31.86 3njk h MET 83 CO 0.08 0.00 -0.79 -0.51 1.06 0.00 0.00 176.91 176.75 3njk s LEU 84 N -4.64 2.02 0.05 1.22 1.02 -1.26 -0.54 118.68 116.54 3njk s LEU 84 Ca 0.04 -0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.07 3njk s LEU 84 Cb 0.12 -0.51 -0.02 0.00 0.02 0.00 0.00 46.19 45.79 3njk s LEU 84 CO 0.74 0.12 -0.18 0.68 0.02 0.00 0.00 176.35 177.74 3njk s VAL 85 N -0.23 1.45 0.00 -1.59 -7.23 -0.74 -1.40 120.40 110.66 3njk s VAL 85 Ca 0.04 -1.15 0.05 0.00 -1.81 0.00 0.00 61.98 59.11 3njk s VAL 85 Cb -0.04 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 3njk s VAL 85 CO -0.00 0.10 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.64 3njk s GLN 86 N -1.22 1.14 -0.10 4.82 -0.21 0.24 -0.69 119.66 123.63 3njk s GLN 86 Ca 0.05 -0.58 -0.02 0.00 0.02 0.00 0.00 55.36 54.83 3njk s GLN 86 Cb -0.09 -1.11 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 3njk s GLN 86 CO 0.02 0.30 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.96 3njk s LEU 87 N -0.51 3.44 -0.23 2.90 1.43 0.21 -0.90 118.68 125.02 3njk s LEU 87 Ca 0.05 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 3njk s LEU 87 Cb -0.06 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3njk s LEU 87 CO -0.00 0.32 0.21 -0.69 0.23 0.00 0.00 176.35 176.41 3njk s VAL 88 N -0.51 5.33 -0.26 -1.59 1.01 -0.48 -1.48 120.40 122.41 3njk s VAL 88 Ca 0.09 0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 3njk s VAL 88 Cb -0.12 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.79 3njk s VAL 88 CO 0.02 0.32 0.04 -0.62 0.00 0.00 0.00 175.10 174.86 3njk s ASP 89 N 1.07 3.77 0.06 3.32 -1.08 -0.52 -0.83 116.67 122.46 3njk s ASP 89 Ca 0.10 -1.36 0.27 0.00 -0.52 0.00 0.00 52.55 51.04 3njk s ASP 89 Cb -0.14 -0.95 1.09 0.00 -1.46 0.00 0.00 42.92 41.46 3njk s ASP 89 CO 0.05 -0.34 1.85 0.18 0.52 0.00 0.00 175.17 177.44 3njk n LEU 90 N 4.80 0.21 -3.79 -1.34 4.77 -1.26 -0.77 117.00 119.61 3njk n LEU 90 Ca -0.06 0.52 -0.26 0.00 -0.03 0.00 0.00 56.01 56.18 3njk n LEU 90 Cb 0.44 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3njk n LEU 90 CO 0.14 -0.08 0.08 -0.67 -1.33 0.00 0.00 177.39 175.53 3njk n ASP 91 N -1.70 -3.83 -0.12 -1.43 2.03 -1.26 -4.03 116.55 106.21 3njk n ASP 91 Ca 0.06 -0.75 -0.26 0.00 0.52 0.00 0.00 54.79 54.36 3njk n ASP 91 Cb 0.35 -4.15 -0.10 0.00 -0.72 0.00 0.00 41.12 36.49 3njk n ASP 91 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3njk n LYS 92 N -4.59 0.58 -2.41 -0.67 5.02 -1.26 -4.31 118.16 110.51 3njk n LYS 92 Ca -0.08 0.39 -0.43 0.00 -2.02 0.00 0.00 58.31 56.17 3njk n LYS 92 Cb 0.58 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 3njk n LYS 92 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3njk s THR 93 N -2.46 4.09 0.47 -0.18 2.01 -1.26 -4.80 115.64 113.51 3njk s THR 93 Ca -0.34 1.20 -0.19 0.00 0.31 0.00 0.00 61.69 62.66 3njk s THR 93 Cb 0.11 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 3njk s THR 93 CO 0.52 -0.56 0.98 -2.16 -0.69 0.00 0.00 174.62 172.71 3njk s PRO 94 N 4.36 4.03 0.00 4.92 0.04 -1.26 -4.74 135.00 142.35 3njk s PRO 94 Ca 0.57 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3njk s PRO 94 Cb -0.16 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3njk s PRO 94 CO 0.26 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3njk n GLY 95 N -0.88 0.88 3.06 0.56 0.00 -1.11 -4.97 105.19 102.73 3njk n GLY 95 Ca 0.07 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 3njk n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3njk s THR 96 N -1.76 0.58 0.01 2.61 -1.32 -1.26 -0.53 115.64 113.98 3njk s THR 96 Ca 0.00 -0.96 -0.03 0.00 -1.21 0.00 0.00 61.69 59.50 3njk s THR 96 Cb 0.00 -0.62 -0.01 0.00 -1.51 0.00 0.00 72.50 70.36 3njk s THR 96 CO 0.00 -0.28 0.03 0.28 -2.21 0.00 0.00 174.62 172.45 3njk s THR 97 N -1.15 0.09 -0.06 5.08 -1.32 -0.37 -4.99 115.64 112.92 3njk s THR 97 Ca -0.07 -0.77 -0.04 0.00 -1.21 0.00 0.00 61.69 59.60 3njk s THR 97 Cb -0.09 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 3njk s THR 97 CO 0.00 -0.42 0.11 -0.54 -2.21 0.00 0.00 174.62 171.56 3njk s LYS 98 N -1.33 3.27 0.05 7.08 -0.14 -1.26 -0.68 119.74 126.74 3njk s LYS 98 Ca -0.14 -0.30 -0.02 0.00 -1.36 0.00 0.00 55.97 54.14 3njk s LYS 98 Cb -0.08 -3.02 -0.03 0.00 -1.68 0.00 0.00 37.83 33.01 3njk s LYS 98 CO -0.00 0.71 -0.01 -0.59 -0.76 0.00 0.00 175.35 174.71 3njk s PHE 99 N -1.11 0.47 -0.03 3.18 -0.12 -0.86 -4.22 117.98 115.29 3njk s PHE 99 Ca 0.19 -0.99 0.01 0.00 -0.05 0.00 0.00 56.93 56.10 3njk s PHE 99 Cb -0.12 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 41.94 3njk s PHE 99 CO 0.09 -0.39 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.17 3njk s GLN 100 N -3.81 0.74 0.39 1.99 -0.21 0.07 -2.91 119.66 115.92 3njk s GLN 100 Ca 0.06 -0.16 -0.27 0.00 0.02 0.00 0.00 55.36 55.01 3njk s GLN 100 Cb 0.07 -0.73 -0.10 0.00 1.00 0.00 0.00 33.01 33.25 3njk s GLN 100 CO -0.10 0.00 1.40 -0.06 -2.12 0.00 0.00 175.29 174.42 3njk s PHE 101 N 0.52 2.71 -0.15 0.91 0.08 -1.26 -0.67 117.98 120.11 3njk s PHE 101 Ca -0.07 1.28 0.01 0.00 0.12 0.00 0.00 56.93 58.27 3njk s PHE 101 Cb -0.10 -3.87 0.00 0.00 -0.57 0.00 0.00 43.02 38.48 3njk s PHE 101 CO 0.00 -2.57 -0.17 0.08 -0.10 0.00 0.00 175.22 172.46 3njk s VAL 102 N -1.16 2.48 0.04 -0.44 1.01 -0.56 -1.96 120.40 119.80 3njk s VAL 102 Ca 0.54 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3njk s VAL 102 Cb -0.43 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3njk s VAL 102 CO 0.57 0.53 -0.11 -0.76 0.00 0.00 0.00 175.10 175.33 3njk s LEU 103 N 0.82 2.20 0.55 3.92 1.02 0.08 -0.38 118.68 126.88 3njk s LEU 103 Ca -0.06 -0.48 -0.05 0.00 0.02 0.00 0.00 54.13 53.57 3njk s LEU 103 Cb -0.15 -0.40 -0.00 0.00 0.02 0.00 0.00 46.19 45.65 3njk s LEU 103 CO -0.01 -0.06 0.84 -0.94 0.02 0.00 0.00 176.35 176.20 3njk s SER 104 N -1.30 5.74 0.05 2.29 1.04 0.07 -0.12 113.70 121.47 3njk s SER 104 Ca -0.03 0.66 -0.01 0.00 0.48 0.00 0.00 55.95 57.05 3njk s SER 104 Cb -0.08 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 3njk s SER 104 CO 0.01 -0.92 -0.02 0.54 0.98 0.00 0.00 173.24 173.84 3njk s ASN 105 N -4.26 0.45 0.00 7.02 2.20 -1.26 -1.81 114.94 117.28 3njk s ASN 105 Ca 0.52 -0.94 0.26 0.00 -0.94 0.00 0.00 52.86 51.76 3njk s ASN 105 Cb -0.10 0.20 0.60 0.00 -2.00 0.00 0.00 41.25 39.95 3njk s ASN 105 CO 0.44 -0.58 1.49 0.35 -2.94 0.00 0.00 177.10 175.85 3njk n THR 106 N 0.22 0.00 0.03 0.54 -2.24 0.01 -4.22 114.28 108.63 3njk n THR 106 Ca -0.15 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 3njk n THR 106 Cb 0.61 0.93 -0.13 0.00 -2.10 0.00 0.00 70.33 69.63 3njk n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njk h ALA 107 N 4.38 0.47 -2.96 6.98 0.00 -1.94 -3.49 119.26 122.69 3njk h ALA 107 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 54.91 53.61 3njk h ALA 107 Cb 0.71 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3njk h ALA 107 CO 0.00 1.33 0.06 0.54 0.00 0.00 0.00 179.25 181.18 3njk s ASN 108 N -6.61 0.36 -0.02 0.00 2.20 -1.26 -5.06 114.94 104.55 3njk s ASN 108 Ca -0.05 -1.25 0.21 0.00 -0.94 0.00 0.00 52.86 50.83 3njk s ASN 108 Cb 0.08 0.76 0.62 0.00 -2.00 0.00 0.00 41.25 40.71 3njk s ASN 108 CO 0.83 -1.49 1.52 0.35 -2.94 0.00 0.00 177.10 175.37 3njk n THR 109 N -0.53 1.04 -2.92 0.54 -2.24 -1.26 -4.48 114.28 104.42 3njk n THR 109 Ca -0.04 -0.95 -0.39 0.00 -2.27 0.00 0.00 64.05 60.40 3njk n THR 109 Cb 0.61 0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 3njk n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3njk s LEU 110 N -1.11 4.55 0.47 3.22 1.02 -1.26 -5.05 118.68 120.53 3njk s LEU 110 Ca 0.46 1.71 -0.19 0.00 0.02 0.00 0.00 54.13 56.13 3njk s LEU 110 Cb 0.25 -3.48 -0.09 0.00 0.02 0.00 0.00 46.19 42.89 3njk s LEU 110 CO 0.30 0.15 0.98 -0.76 0.02 0.00 0.00 176.35 177.04 3njk s LEU 111 N -1.35 3.82 -0.16 1.79 1.43 -1.26 -4.41 118.68 118.54 3njk s LEU 111 Ca 0.39 1.71 -0.07 0.00 -1.03 0.00 0.00 54.13 55.13 3njk s LEU 111 Cb -0.23 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.42 3njk s LEU 111 CO 0.27 -0.53 0.06 -0.69 0.23 0.00 0.00 176.35 175.68 3njk s VAL 112 N -2.28 4.79 -0.05 -1.59 1.01 0.83 -4.95 120.40 118.16 3njk s VAL 112 Ca 0.62 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.60 3njk s VAL 112 Cb -0.11 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3njk s VAL 112 CO 0.20 0.50 -0.18 -0.76 0.00 0.00 0.00 175.10 174.86 3njk s LEU 113 N 0.06 2.49 0.62 3.92 1.43 -1.26 -0.75 118.68 125.19 3njk s LEU 113 Ca 0.05 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3njk s LEU 113 Cb -0.12 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3njk s LEU 113 CO 0.01 0.30 1.03 -0.94 0.23 0.00 0.00 176.35 176.98 3njk s SER 114 N -0.48 6.20 1.04 2.29 1.04 -0.83 -5.00 113.70 117.97 3njk s SER 114 Ca 0.06 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 57.79 3njk s SER 114 Cb -0.12 -2.47 0.16 0.00 0.10 0.00 0.00 66.02 63.69 3njk s SER 114 CO 0.01 -0.89 0.71 -2.65 0.98 0.00 0.00 173.24 171.41 3njk n PRO 115 N -2.76 -1.23 -3.34 4.02 -0.02 -1.26 -4.61 135.00 125.79 3njk n PRO 115 Ca 0.06 -0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 60.79 3njk n PRO 115 Cb 0.54 -2.06 -0.09 0.00 -0.02 0.00 0.00 33.50 31.87 3njk n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3njk s ALA 116 N -2.44 3.44 0.95 3.55 0.00 -1.26 -4.67 121.76 121.34 3njk s ALA 116 Ca 0.63 -1.51 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3njk s ALA 116 Cb -0.21 -3.01 0.16 0.00 0.00 0.00 0.00 23.12 20.06 3njk s ALA 116 CO 0.64 -1.53 1.17 -2.14 0.00 0.00 0.00 175.76 173.90 3njk s PRO 117 N 2.07 0.79 0.03 0.00 0.02 -1.15 -4.79 135.00 131.97 3njk s PRO 117 Ca 0.11 0.12 0.06 0.00 0.02 0.00 0.00 61.00 61.31 3njk s PRO 117 Cb -0.17 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 3njk s PRO 117 CO 0.13 -2.40 -0.14 -0.65 -0.33 0.00 0.00 177.00 173.61 3njk s GLN 118 N -5.41 2.24 -0.15 5.54 -0.21 -1.26 -2.02 119.66 118.38 3njk s GLN 118 Ca 0.66 -0.89 -0.05 0.00 0.02 0.00 0.00 55.36 55.10 3njk s GLN 118 Cb -0.12 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 3njk s GLN 118 CO 0.53 0.56 0.02 0.42 -2.12 0.00 0.00 175.29 174.70 3njk s ILE 119 N -0.95 4.40 -0.20 1.08 -1.09 0.14 -0.99 121.20 123.59 3njk s ILE 119 Ca 0.16 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 3njk s ILE 119 Cb -0.11 -2.93 0.02 0.00 -1.58 0.00 0.00 42.46 37.87 3njk s ILE 119 CO 0.06 0.51 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.50 3njk s ILE 120 N 0.03 2.31 -0.18 2.92 1.01 0.88 -1.24 121.20 126.93 3njk s ILE 120 Ca 0.03 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 3njk s ILE 120 Cb -0.13 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3njk s ILE 120 CO 0.02 0.40 0.42 0.20 0.00 0.00 0.00 174.94 175.98 3njk s ASN 121 N 1.28 6.50 -0.43 3.58 -0.87 0.31 -0.09 114.94 125.24 3njk s ASN 121 Ca 0.02 0.60 0.03 0.00 -1.57 0.00 0.00 52.86 51.95 3njk s ASN 121 Cb -0.15 -2.25 0.12 0.00 -0.02 0.00 0.00 41.25 38.95 3njk s ASN 121 CO -0.10 -0.06 0.17 -0.13 -2.57 0.00 0.00 177.10 174.41 3njk s ARG 122 N 1.16 1.62 0.71 -0.60 0.52 0.17 -2.74 118.95 119.79 3njk s ARG 122 Ca 0.21 -2.16 -0.16 0.00 -0.52 0.00 0.00 55.73 53.10 3njk s ARG 122 Cb -0.15 -3.06 0.03 0.00 0.52 0.00 0.00 34.95 32.29 3njk s ARG 122 CO 0.08 -1.04 1.23 -2.14 0.02 0.00 0.00 175.30 173.45 3njk s PRO 123 N 0.36 2.24 0.00 3.54 0.02 -1.26 -4.19 135.00 135.71 3njk s PRO 123 Ca 0.14 1.85 0.31 0.00 0.02 0.00 0.00 61.00 63.32 3njk s PRO 123 Cb -0.23 -1.84 1.84 0.00 0.02 0.00 0.00 34.50 34.30 3njk s PRO 123 CO -0.05 -1.78 2.17 1.04 -0.33 0.00 0.00 177.00 178.05