#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtk s ASN 2 N 0.00 4.18 0.51 6.12 2.20 -1.26 -4.83 114.94 121.85 1jtk s ASN 2 Ca 0.00 0.24 0.19 0.00 -0.94 0.00 0.00 52.86 52.35 1jtk s ASN 2 Cb 0.00 -0.63 1.30 0.00 -2.00 0.00 0.00 41.25 39.91 1jtk s ASN 2 CO 0.00 -2.02 2.11 0.08 -2.94 0.00 0.00 177.10 174.33 1jtk h ARG 3 N -0.92 0.00 -0.11 3.55 0.11 -2.04 -1.03 114.38 113.94 1jtk h ARG 3 Ca -0.43 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.65 1jtk h ARG 3 Cb 1.28 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 1jtk h ARG 3 CO 0.49 0.08 0.04 0.37 0.10 0.00 0.00 179.97 181.05 1jtk h GLN 4 N 0.00 0.16 -0.27 0.08 -0.00 -1.99 -0.57 115.11 112.53 1jtk h GLN 4 Ca -0.00 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.65 58.50 1jtk h GLN 4 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.59 1jtk h GLN 4 CO 0.01 0.29 -0.32 0.93 0.00 0.00 0.00 178.83 179.74 1jtk h GLU 5 N 0.00 0.56 -0.05 1.69 5.08 -1.78 -2.50 114.58 117.59 1jtk h GLU 5 Ca 0.04 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 1jtk h GLU 5 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1jtk h GLU 5 CO -0.00 0.81 -0.42 1.25 -1.00 0.00 0.00 179.01 179.65 1jtk h LEU 6 N 0.48 0.11 -0.48 1.33 5.85 -1.05 -2.41 115.31 119.13 1jtk h LEU 6 Ca 0.06 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1jtk h LEU 6 Cb 0.79 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1jtk h LEU 6 CO 0.06 0.52 -0.05 0.40 -0.34 0.00 0.00 178.44 179.03 1jtk h ILE 7 N 0.09 1.27 -0.14 4.05 2.04 -0.77 -1.95 117.51 122.10 1jtk h ILE 7 Ca 0.01 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 1jtk h ILE 7 Cb 0.78 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1jtk h ILE 7 CO 0.06 0.40 -0.06 0.71 0.00 0.00 0.00 178.15 179.26 1jtk h THR 8 N 0.74 1.13 -0.36 -0.27 1.35 -1.06 0.30 112.91 114.73 1jtk h THR 8 Ca 0.13 -0.55 -0.05 0.00 -0.55 0.00 0.00 66.41 65.39 1jtk h THR 8 Cb 0.59 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1jtk h THR 8 CO 0.04 0.18 0.02 -0.33 -0.25 0.00 0.00 175.52 175.17 1jtk h GLU 9 N 0.21 0.62 -0.35 4.72 4.39 -1.00 -1.83 114.58 121.34 1jtk h GLU 9 Ca 0.05 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1jtk h GLU 9 Cb 0.25 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1jtk h GLU 9 CO 0.01 0.71 -0.13 0.00 -1.16 0.00 0.00 179.01 178.44 1jtk h ALA 10 N 0.88 1.13 -0.59 3.43 0.00 -0.59 -0.24 119.26 123.28 1jtk h ALA 10 Ca 0.10 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1jtk h ALA 10 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1jtk h ALA 10 CO 0.01 0.55 0.13 -0.07 0.00 0.00 0.00 179.25 179.87 1jtk h LEU 11 N 0.56 0.87 -0.18 0.00 3.38 -0.75 -0.69 115.31 118.49 1jtk h LEU 11 Ca 0.10 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1jtk h LEU 11 Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jtk h LEU 11 CO 0.03 0.85 -0.32 0.11 0.09 0.00 0.00 178.44 179.21 1jtk h LYS 12 N 0.88 0.54 -0.43 1.13 1.57 -0.91 -3.06 116.57 116.29 1jtk h LYS 12 Ca 0.19 -0.34 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1jtk h LYS 12 Cb 0.34 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1jtk h LYS 12 CO 0.00 0.94 0.29 0.00 -0.57 0.00 0.00 179.45 180.12 1jtk h ALA 13 N 0.59 1.92 -0.30 3.86 0.00 -0.77 -1.70 119.26 122.86 1jtk h ALA 13 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jtk h ALA 13 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jtk h ALA 13 CO 0.07 0.00 0.19 -0.09 0.00 0.00 0.00 179.25 179.43 1jtk h ARG 14 N 0.38 0.39 0.00 0.00 2.43 -1.02 -1.77 114.38 114.80 1jtk h ARG 14 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1jtk h ARG 14 Cb 0.26 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1jtk h ARG 14 CO -0.04 0.26 0.00 -0.25 -1.51 0.00 0.00 179.97 178.43 1jtk n ASP 15 N -4.49 0.03 -0.18 -3.80 8.00 -0.64 -2.32 116.55 113.16 1jtk n ASP 15 Ca 0.01 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.14 1jtk n ASP 15 Cb 0.07 -0.52 0.22 0.00 -0.02 0.00 0.00 41.12 40.87 1jtk n ASP 15 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1jtk n MET 16 N -1.54 0.54 -1.70 -1.24 2.81 -0.66 -4.98 117.12 110.34 1jtk n MET 16 Ca 0.03 -0.36 -0.42 0.00 -1.81 0.00 0.00 57.70 55.15 1jtk n MET 16 Cb 0.17 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1jtk n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jtk n ALA 17 N -0.92 1.35 -3.66 3.04 0.00 -0.98 -4.97 120.51 114.37 1jtk n ALA 17 Ca 0.09 0.32 -0.38 0.00 0.00 0.00 0.00 53.44 53.47 1jtk n ALA 17 Cb 0.36 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.45 1jtk n ALA 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1jtk s TYR 18 N -1.14 3.49 -0.42 0.00 5.04 -0.59 -4.96 117.35 118.78 1jtk s TYR 18 Ca 0.57 -2.42 0.09 0.00 -2.44 0.00 0.00 57.07 52.88 1jtk s TYR 18 Cb -0.54 -3.32 0.30 0.00 0.35 0.00 0.00 41.96 38.75 1jtk s TYR 18 CO 0.61 -0.92 0.67 0.00 -1.34 0.00 0.00 175.55 174.57 1jtk n ALA 19 N 4.07 2.55 0.53 3.97 0.00 -1.26 -0.40 120.51 129.97 1jtk n ALA 19 Ca 0.03 -3.61 0.11 0.00 0.00 0.00 0.00 53.44 49.97 1jtk n ALA 19 Cb 0.40 -0.86 0.45 0.00 0.00 0.00 0.00 19.45 19.44 1jtk n ALA 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jtk n PRO 20 N 0.71 0.15 -0.07 0.00 -0.04 -1.26 -1.09 135.00 133.40 1jtk n PRO 20 Ca 0.24 0.30 -0.22 0.00 -0.04 0.00 0.00 63.50 63.78 1jtk n PRO 20 Cb 0.57 -1.75 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 1jtk n PRO 20 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jtk n TYR 21 N -2.03 0.92 0.04 0.54 4.02 -1.26 -4.48 117.16 114.91 1jtk n TYR 21 Ca 0.04 0.29 0.04 0.00 -0.01 0.00 0.00 57.90 58.26 1jtk n TYR 21 Cb 0.27 -1.11 -0.07 0.00 -0.02 0.00 0.00 39.34 38.41 1jtk n TYR 21 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1jtk n SER 22 N -3.94 0.68 -1.89 7.72 3.41 -1.25 -4.94 113.62 113.42 1jtk n SER 22 Ca -0.36 0.28 -0.20 0.00 -0.26 0.00 0.00 58.87 58.33 1jtk n SER 22 Cb 0.88 0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 65.33 1jtk n SER 22 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jtk n LYS 23 N -2.73 -1.50 -3.84 4.33 4.01 -0.25 -4.94 118.16 113.24 1jtk n LYS 23 Ca -0.08 1.11 -0.35 0.00 -0.51 0.00 0.00 58.31 58.48 1jtk n LYS 23 Cb 0.74 -5.59 -0.12 0.00 -0.51 0.00 0.00 35.03 29.55 1jtk n LYS 23 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1jtk s PHE 24 N -2.87 3.59 0.04 2.13 5.36 -1.26 -5.08 117.98 119.89 1jtk s PHE 24 Ca 0.00 -2.47 -0.20 0.00 -0.96 0.00 0.00 56.93 53.30 1jtk s PHE 24 Cb 0.00 -3.04 -0.06 0.00 -0.34 0.00 0.00 43.02 39.58 1jtk s PHE 24 CO 0.00 -0.95 0.59 -0.65 -1.46 0.00 0.00 175.22 172.75 1jtk s GLN 25 N 1.11 4.28 0.03 10.12 -0.21 -1.26 -4.88 119.66 128.85 1jtk s GLN 25 Ca 0.07 0.76 0.06 0.00 0.02 0.00 0.00 55.36 56.27 1jtk s GLN 25 Cb -0.22 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.48 1jtk s GLN 25 CO -0.05 0.50 -0.17 0.08 -2.12 0.00 0.00 175.29 173.53 1jtk s VAL 26 N -0.63 1.37 0.12 1.09 1.01 -1.26 -4.37 120.40 117.73 1jtk s VAL 26 Ca 0.30 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1jtk s VAL 26 Cb -0.19 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1jtk s VAL 26 CO 0.18 0.16 -0.16 -0.83 0.00 0.00 0.00 175.10 174.46 1jtk s GLY 27 N -0.99 1.14 -0.02 4.51 0.00 -0.03 -3.11 107.32 108.84 1jtk s GLY 27 Ca 0.05 -1.29 -0.17 0.00 0.00 0.00 0.00 44.72 43.31 1jtk s GLY 27 CO 0.01 -1.33 0.36 0.00 0.00 0.00 0.00 173.10 172.14 1jtk s ALA 28 N -1.85 -0.92 -0.04 3.20 0.00 -0.32 -0.62 121.76 121.21 1jtk s ALA 28 Ca 0.09 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1jtk s ALA 28 Cb -0.07 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1jtk s ALA 28 CO 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 175.76 175.57 1jtk s ALA 29 N -1.31 0.26 -0.22 0.00 0.00 -0.36 -0.40 121.76 119.73 1jtk s ALA 29 Ca -0.13 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 51.93 1jtk s ALA 29 Cb -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1jtk s ALA 29 CO 0.05 -0.41 0.07 -1.17 0.00 0.00 0.00 175.76 174.30 1jtk s LEU 30 N 1.93 3.55 -0.25 0.00 2.96 0.61 -1.39 118.68 126.09 1jtk s LEU 30 Ca 0.02 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 1jtk s LEU 30 Cb -0.12 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1jtk s LEU 30 CO -0.03 0.04 0.13 -0.22 -1.32 0.00 0.00 176.35 174.94 1jtk s LEU 31 N 1.18 3.78 0.76 -0.68 2.96 0.37 -1.04 118.68 126.02 1jtk s LEU 31 Ca 0.04 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1jtk s LEU 31 Cb -0.14 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.58 1jtk s LEU 31 CO 0.03 -0.01 1.12 0.42 -1.32 0.00 0.00 176.35 176.59 1jtk s THR 32 N 1.51 2.30 0.39 3.68 -4.23 -0.29 -0.49 115.64 118.51 1jtk s THR 32 Ca 0.06 -0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.64 1jtk s THR 32 Cb -0.15 -3.07 0.21 0.00 1.34 0.00 0.00 72.50 70.83 1jtk s THR 32 CO 0.07 -0.09 1.98 0.11 -0.54 0.00 0.00 174.62 176.14 1jtk h LYS 33 N -0.87 0.47 -0.02 3.99 1.79 -1.31 -1.41 116.57 119.21 1jtk h LYS 33 Ca -0.45 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1jtk h LYS 33 Cb 1.31 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1jtk h LYS 33 CO 0.64 0.41 0.00 -0.25 -1.08 0.00 0.00 179.45 179.18 1jtk n ASP 34 N -4.38 0.17 0.00 0.86 8.00 -1.26 -4.89 116.55 115.05 1jtk n ASP 34 Ca 0.02 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1jtk n ASP 34 Cb 0.16 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1jtk n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtk n GLY 35 N 0.76 0.59 3.82 0.44 0.00 -0.53 -5.05 105.19 105.22 1jtk n GLY 35 Ca 0.11 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1jtk n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jtk s LYS 36 N -0.46 4.17 -0.14 1.61 2.20 -1.26 -4.82 119.74 121.03 1jtk s LYS 36 Ca 0.00 0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 56.32 1jtk s LYS 36 Cb 0.00 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1jtk s LYS 36 CO 0.00 0.51 -0.10 0.08 -0.36 0.00 0.00 175.35 175.48 1jtk s VAL 37 N -1.35 3.31 -0.16 4.02 1.01 -1.26 -1.13 120.40 124.84 1jtk s VAL 37 Ca 0.36 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1jtk s VAL 37 Cb -0.17 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1jtk s VAL 37 CO 0.20 0.51 -0.10 -0.31 0.00 0.00 0.00 175.10 175.40 1jtk s TYR 38 N 0.39 2.88 0.10 5.22 1.51 -0.20 -4.93 117.35 122.33 1jtk s TYR 38 Ca -0.08 -0.69 -0.06 0.00 -1.01 0.00 0.00 57.07 55.22 1jtk s TYR 38 Cb -0.15 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 1jtk s TYR 38 CO 0.05 -0.28 0.36 1.03 -1.11 0.00 0.00 175.55 175.59 1jtk s ARG 39 N 0.65 3.64 0.04 -0.62 0.52 -1.26 -0.29 118.95 121.64 1jtk s ARG 39 Ca -0.05 -0.03 -0.02 0.00 -0.52 0.00 0.00 55.73 55.10 1jtk s ARG 39 Cb -0.15 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 1jtk s ARG 39 CO 0.02 0.52 0.02 0.20 0.02 0.00 0.00 175.30 176.08 1jtk s GLY 40 N -2.16 0.32 0.09 -3.53 0.00 0.47 -4.37 107.32 98.15 1jtk s GLY 40 Ca 0.37 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 1jtk s GLY 40 CO 0.22 -0.99 0.29 0.00 0.00 0.00 0.00 173.10 172.62 1jtk s ASN 42 N -2.67 6.88 -0.19 0.00 4.22 -1.18 -3.73 114.94 118.27 1jtk s ASN 42 Ca 0.02 2.00 -0.02 0.00 -2.14 0.00 0.00 52.86 52.73 1jtk s ASN 42 Cb 0.03 -2.58 0.05 0.00 1.28 0.00 0.00 41.25 40.03 1jtk s ASN 42 CO -0.10 -0.41 0.00 -0.63 -2.04 0.00 0.00 177.10 173.93 1jtk s ILE 43 N -1.65 0.78 0.66 0.54 1.01 0.07 -1.54 121.20 121.06 1jtk s ILE 43 Ca 0.56 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 1jtk s ILE 43 Cb -0.21 -1.16 0.07 0.00 0.01 0.00 0.00 42.46 41.16 1jtk s ILE 43 CO 0.27 -0.10 0.93 -1.61 0.00 0.00 0.00 174.94 174.43 1jtk s GLU 44 N 1.75 2.17 -0.04 2.79 2.02 0.47 -0.69 118.70 127.16 1jtk s GLU 44 Ca -0.01 -0.64 -0.10 0.00 0.02 0.00 0.00 54.97 54.24 1jtk s GLU 44 Cb -0.17 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 31.77 1jtk s GLU 44 CO -0.07 -1.12 0.23 1.21 0.02 0.00 0.00 175.26 175.53 1jtk s ASN 45 N -4.54 -0.15 0.51 -0.19 3.84 -1.26 -4.88 114.94 108.27 1jtk s ASN 45 Ca 0.61 0.16 0.25 0.00 0.21 0.00 0.00 52.86 54.08 1jtk s ASN 45 Cb -0.09 0.36 1.35 0.00 -0.55 0.00 0.00 41.25 42.31 1jtk s ASN 45 CO 0.42 -0.28 1.96 0.00 -2.79 0.00 0.00 177.10 176.41 1jtk h ALA 46 N 4.72 2.50 -2.33 1.71 0.00 -2.00 -3.11 119.26 120.75 1jtk h ALA 46 Ca -0.28 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 53.87 1jtk h ALA 46 Cb 1.19 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1jtk h ALA 46 CO 0.38 -0.69 0.30 0.00 0.00 0.00 0.00 179.25 179.25 1jtk s ALA 47 N -5.09 3.71 0.33 0.00 0.00 -1.26 -4.94 121.76 114.51 1jtk s ALA 47 Ca -0.06 -2.89 0.20 0.00 0.00 0.00 0.00 51.96 49.21 1jtk s ALA 47 Cb 0.20 -3.67 1.20 0.00 0.00 0.00 0.00 23.12 20.86 1jtk s ALA 47 CO 0.75 -2.49 1.39 0.66 0.00 0.00 0.00 175.76 176.06 1jtk n TYR 48 N 5.29 0.97 -0.06 0.00 0.53 -1.18 -1.02 117.16 121.71 1jtk n TYR 48 Ca 0.11 0.98 0.22 0.00 -1.02 0.00 0.00 57.90 58.18 1jtk n TYR 48 Cb 0.46 -1.39 0.68 0.00 -1.03 0.00 0.00 39.34 38.06 1jtk n TYR 48 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1jtk h SER 49 N 0.00 0.04 -0.04 7.72 0.02 -1.92 -1.74 113.55 117.63 1jtk h SER 49 Ca 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.70 1jtk h SER 49 Cb 2.05 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1jtk h SER 49 CO -0.64 0.02 0.00 0.23 -1.14 0.00 0.00 176.83 175.30 1jtk n MET 50 N -4.36 1.40 -1.91 3.45 2.81 -0.18 -4.92 117.12 113.40 1jtk n MET 50 Ca 0.12 -0.58 -0.37 0.00 -1.81 0.00 0.00 57.70 55.06 1jtk n MET 50 Cb 0.68 -1.43 0.04 0.00 -0.71 0.00 0.00 33.22 31.80 1jtk n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jtk s ASN 52 N -1.28 2.71 0.42 0.00 2.47 0.13 -4.99 114.94 114.40 1jtk s ASN 52 Ca 0.74 -0.59 -0.02 0.00 0.42 0.00 0.00 52.86 53.41 1jtk s ASN 52 Cb -0.35 -0.21 -0.03 0.00 -1.45 0.00 0.00 41.25 39.21 1jtk s ASN 52 CO 0.40 0.16 0.66 0.00 -3.72 0.00 0.00 177.10 174.61 1jtk h ALA 54 N 0.48 0.41 -0.37 0.00 0.00 -1.84 -0.67 119.26 117.28 1jtk h ALA 54 Ca -0.48 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1jtk h ALA 54 Cb 1.22 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1jtk h ALA 54 CO 0.61 -0.16 0.03 0.93 0.00 0.00 0.00 179.25 180.66 1jtk h GLU 55 N 0.40 0.13 -0.08 0.00 3.07 -1.89 -1.93 114.58 114.29 1jtk h GLU 55 Ca 0.13 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 1jtk h GLU 55 Cb -0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1jtk h GLU 55 CO -0.06 0.09 -0.53 0.00 -1.40 0.00 0.00 179.01 177.11 1jtk h ARG 56 N 0.14 0.21 -0.49 2.33 3.08 -1.87 -2.36 114.38 115.43 1jtk h ARG 56 Ca 0.18 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1jtk h ARG 56 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1jtk h ARG 56 CO -0.28 0.69 0.25 1.15 -1.07 0.00 0.00 179.97 180.72 1jtk h THR 57 N 0.17 1.18 -0.32 2.04 2.02 -0.58 0.11 112.91 117.53 1jtk h THR 57 Ca 0.00 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1jtk h THR 57 Cb 0.99 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1jtk h THR 57 CO 0.08 0.19 0.08 0.00 0.37 0.00 0.00 175.52 176.24 1jtk h ALA 58 N 1.09 0.43 -0.48 6.16 0.00 -1.28 -1.56 119.26 123.62 1jtk h ALA 58 Ca 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1jtk h ALA 58 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1jtk h ALA 58 CO -0.02 0.09 0.11 -0.07 0.00 0.00 0.00 179.25 179.35 1jtk h LEU 59 N 0.36 0.74 -0.78 0.00 3.38 -1.24 -1.61 115.31 116.17 1jtk h LEU 59 Ca 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1jtk h LEU 59 Cb 0.30 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1jtk h LEU 59 CO 0.00 0.79 0.40 -0.26 0.09 0.00 0.00 178.44 179.46 1jtk h PHE 60 N 0.65 1.09 -0.19 1.13 0.05 -0.72 -1.11 116.94 117.85 1jtk h PHE 60 Ca 0.15 -0.04 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 1jtk h PHE 60 Cb 0.35 -0.34 -0.01 0.00 2.00 0.00 0.00 35.95 37.94 1jtk h PHE 60 CO 0.02 0.78 0.11 -0.22 -0.18 0.00 0.00 178.31 178.82 1jtk h LYS 61 N 1.08 0.26 0.53 1.51 3.64 -1.09 -1.75 116.57 120.75 1jtk h LYS 61 Ca 0.27 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1jtk h LYS 61 Cb 0.07 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1jtk h LYS 61 CO -0.04 0.23 -0.25 0.00 -2.27 0.00 0.00 179.45 177.12 1jtk h ALA 62 N 1.02 -0.71 -0.92 5.00 0.00 -0.94 -2.67 119.26 120.04 1jtk h ALA 62 Ca 0.07 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1jtk h ALA 62 Cb 0.03 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1jtk h ALA 62 CO -0.01 -0.86 0.60 0.28 0.00 0.00 0.00 179.25 179.25 1jtk h VAL 63 N -0.78 1.05 0.00 0.00 2.07 -1.15 -0.91 116.25 116.53 1jtk h VAL 63 Ca -0.07 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1jtk h VAL 63 Cb 0.57 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1jtk h VAL 63 CO 0.12 0.19 -0.24 0.77 0.02 0.00 0.00 177.57 178.43 1jtk h SER 64 N 1.03 0.00 0.45 0.57 4.64 -1.24 -1.97 113.55 117.03 1jtk h SER 64 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1jtk h SER 64 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1jtk h SER 64 CO -0.16 0.24 -0.15 -0.62 -0.87 0.00 0.00 176.83 175.27 1jtk n GLU 65 N -3.75 0.52 -0.13 4.77 -0.58 -0.43 -4.91 120.64 116.14 1jtk n GLU 65 Ca -0.01 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1jtk n GLU 65 Cb 0.35 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1jtk n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jtk n GLY 66 N 1.34 0.64 3.58 0.62 0.00 -0.74 -5.05 105.19 105.58 1jtk n GLY 66 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1jtk n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jtk s ASP 67 N -2.79 6.42 -0.01 1.61 -0.00 -0.73 -4.90 116.67 116.27 1jtk s ASP 67 Ca 0.00 0.21 0.02 0.00 -0.00 0.00 0.00 52.55 52.78 1jtk s ASP 67 Cb 0.00 -2.31 0.03 0.00 -0.00 0.00 0.00 42.92 40.64 1jtk s ASP 67 CO 0.00 -0.51 0.83 0.35 -0.00 0.00 0.00 175.17 175.84 1jtk n THR 68 N 5.46 0.65 -4.04 -1.27 -2.24 -1.26 -3.11 114.28 108.47 1jtk n THR 68 Ca -0.02 -0.68 -0.33 0.00 -2.27 0.00 0.00 64.05 60.75 1jtk n THR 68 Cb 0.49 0.62 -0.15 0.00 -2.10 0.00 0.00 70.33 69.19 1jtk n THR 68 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jtk s GLU 69 N -0.73 2.46 0.34 -0.78 0.41 -1.26 -4.95 118.70 114.19 1jtk s GLU 69 Ca 0.03 -1.21 0.09 0.00 -0.41 0.00 0.00 54.97 53.47 1jtk s GLU 69 Cb 0.02 -2.90 -0.06 0.00 -1.78 0.00 0.00 34.13 29.42 1jtk s GLU 69 CO 0.00 -0.50 -0.05 -0.06 -0.49 0.00 0.00 175.26 174.16 1jtk s PHE 70 N 1.18 2.46 0.00 1.61 0.40 -1.26 -0.97 117.98 121.40 1jtk s PHE 70 Ca -0.05 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1jtk s PHE 70 Cb -0.18 -1.43 0.00 0.00 0.51 0.00 0.00 43.02 41.92 1jtk s PHE 70 CO -0.06 0.54 0.00 0.00 0.70 0.00 0.00 175.22 176.41 1jtk n GLN 71 N -0.86 2.39 -3.60 0.44 10.64 0.35 -4.62 117.38 122.14 1jtk n GLN 71 Ca -0.05 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 54.96 1jtk n GLN 71 Cb 0.63 -0.80 -0.07 0.00 -0.86 0.00 0.00 30.24 29.14 1jtk n GLN 71 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1jtk s MET 72 N -1.48 0.92 -0.07 2.61 0.00 -1.14 -1.86 119.30 118.29 1jtk s MET 72 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 55.69 55.89 1jtk s MET 72 Cb 0.00 0.43 0.03 0.00 0.00 0.00 0.00 34.83 35.29 1jtk s MET 72 CO 0.00 -0.27 0.00 -1.17 0.00 0.00 0.00 175.02 173.59 1jtk s LEU 73 N -1.06 0.60 -0.08 4.11 2.96 -0.03 -0.48 118.68 124.70 1jtk s LEU 73 Ca -0.10 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1jtk s LEU 73 Cb -0.02 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 1jtk s LEU 73 CO 0.08 -0.19 0.01 0.00 -1.32 0.00 0.00 176.35 174.93 1jtk s ALA 74 N 1.92 3.34 -0.02 5.97 0.00 -0.48 0.02 121.76 132.51 1jtk s ALA 74 Ca 0.04 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1jtk s ALA 74 Cb -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1jtk s ALA 74 CO -0.05 0.60 -0.07 0.08 0.00 0.00 0.00 175.76 176.32 1jtk s VAL 75 N -0.91 0.58 -0.01 0.00 1.01 -0.20 -1.22 120.40 119.65 1jtk s VAL 75 Ca 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1jtk s VAL 75 Cb -0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 1jtk s VAL 75 CO 0.03 0.18 0.07 0.00 0.00 0.00 0.00 175.10 175.39 1jtk s ALA 76 N 0.12 -0.16 0.23 5.51 0.00 0.21 -1.75 121.76 125.91 1jtk s ALA 76 Ca -0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 1jtk s ALA 76 Cb -0.06 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.09 1jtk s ALA 76 CO -0.00 -0.11 0.69 0.00 0.00 0.00 0.00 175.76 176.34 1jtk s ALA 77 N -0.66 -1.37 -0.76 0.00 0.00 -1.21 -0.85 121.76 116.91 1jtk s ALA 77 Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 1jtk s ALA 77 Cb -0.05 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1jtk s ALA 77 CO 0.00 -0.94 2.90 -3.47 0.00 0.00 0.00 175.76 174.24 1jtk n ASP 78 N -0.43 6.97 -4.97 0.00 2.03 -1.26 -2.99 116.55 115.90 1jtk n ASP 78 Ca -0.09 -2.93 -0.21 0.00 0.52 0.00 0.00 54.79 52.08 1jtk n ASP 78 Cb 0.61 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1jtk n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1jtk s THR 79 N -0.55 4.17 0.19 5.18 -4.23 -1.26 -4.95 115.64 114.19 1jtk s THR 79 Ca 0.61 -0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 1jtk s THR 79 Cb 0.29 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.72 1jtk s THR 79 CO -0.11 -0.28 1.77 -0.65 -0.54 0.00 0.00 174.62 174.80 1jtk h PRO 80 N 0.64 0.45 0.00 3.99 0.11 -2.01 -3.43 132.00 131.75 1jtk h PRO 80 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jtk h PRO 80 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jtk h PRO 80 CO 0.56 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 1jtk n GLY 81 N -1.26 5.16 3.70 -0.55 0.00 -1.26 -5.01 105.19 105.96 1jtk n GLY 81 Ca 0.06 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 1jtk n GLY 81 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jtk n PRO 82 N 0.00 2.18 -1.91 1.61 -0.02 -1.26 -4.38 135.00 131.22 1jtk n PRO 82 Ca 0.00 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 1jtk n PRO 82 Cb 0.00 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.06 1jtk n PRO 82 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jtk s VAL 83 N -0.64 2.40 -0.30 -1.45 0.11 -1.10 -4.83 120.40 114.59 1jtk s VAL 83 Ca 0.60 0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 59.84 1jtk s VAL 83 Cb -0.58 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 1jtk s VAL 83 CO 0.57 0.06 0.36 -0.55 -3.33 0.00 0.00 175.10 172.20 1jtk s SER 84 N 0.36 6.20 0.35 3.54 0.15 -1.26 -4.63 113.70 118.41 1jtk s SER 84 Ca 0.60 0.05 -0.29 0.00 0.70 0.00 0.00 55.95 57.01 1jtk s SER 84 Cb -0.44 -2.20 -0.11 0.00 -1.71 0.00 0.00 66.02 61.56 1jtk s SER 84 CO 0.46 -0.24 1.54 -2.84 1.20 0.00 0.00 173.24 173.36 1jtk s PRO 85 N 2.04 4.10 0.81 5.44 0.02 -1.26 -4.96 135.00 141.19 1jtk s PRO 85 Ca 0.13 2.60 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 1jtk s PRO 85 Cb -0.16 -2.98 0.08 0.00 0.02 0.00 0.00 34.50 31.46 1jtk s PRO 85 CO 0.11 -0.59 1.09 0.00 -0.33 0.00 0.00 177.00 177.27 1jtk h GLY 87 N -1.25 1.48 1.02 0.00 0.00 -1.99 -1.48 103.07 100.85 1jtk h GLY 87 Ca -0.46 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 1jtk h GLY 87 CO 0.53 0.06 0.32 0.00 0.00 0.00 0.00 176.54 177.46 1jtk h ALA 88 N 1.59 0.93 -0.41 3.60 0.00 -1.99 -0.87 119.26 122.11 1jtk h ALA 88 Ca 0.50 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1jtk h ALA 88 Cb 0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jtk h ALA 88 CO -0.27 0.53 -0.21 0.00 0.00 0.00 0.00 179.25 179.30 1jtk h ARG 90 N 0.69 0.88 -0.26 0.00 3.08 -1.08 0.14 114.38 117.82 1jtk h ARG 90 Ca 0.09 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1jtk h ARG 90 Cb 0.77 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1jtk h ARG 90 CO 0.06 0.66 0.04 0.37 -1.07 0.00 0.00 179.97 180.04 1jtk h GLN 91 N 0.88 0.44 -0.52 0.04 5.75 -0.94 -0.48 115.11 120.29 1jtk h GLN 91 Ca 0.22 -0.12 -0.11 0.00 -0.15 0.00 0.00 58.65 58.49 1jtk h GLN 91 Cb 0.06 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1jtk h GLN 91 CO -0.03 0.56 -0.11 0.28 -2.65 0.00 0.00 178.83 176.87 1jtk h VAL 92 N 0.25 1.27 -0.40 2.39 2.07 -1.01 -2.83 116.25 117.99 1jtk h VAL 92 Ca 0.08 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1jtk h VAL 92 Cb 0.33 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1jtk h VAL 92 CO 0.01 0.44 0.22 0.40 0.02 0.00 0.00 177.57 178.66 1jtk h ILE 93 N 0.86 1.15 0.00 4.57 2.04 -0.58 -0.48 117.51 125.08 1jtk h ILE 93 Ca 0.14 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1jtk h ILE 93 Cb 0.66 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1jtk h ILE 93 CO 0.05 0.15 -0.02 0.77 0.00 0.00 0.00 178.15 179.10 1jtk h SER 94 N 0.51 0.00 0.02 1.72 4.64 -0.93 0.95 113.55 120.46 1jtk h SER 94 Ca 0.14 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.23 1jtk h SER 94 Cb 0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1jtk h SER 94 CO -0.02 0.02 -1.26 -0.08 -0.87 0.00 0.00 176.83 174.62 1jtk h GLU 95 N 0.00 0.05 0.00 4.77 4.57 -1.19 -3.40 114.58 119.37 1jtk h GLU 95 Ca -0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1jtk h GLU 95 Cb 0.15 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1jtk h GLU 95 CO 0.00 1.04 -0.41 1.28 -1.18 0.00 0.00 179.01 179.74 1jtk n LEU 96 N -4.31 0.71 -4.43 1.64 4.77 -0.24 -4.85 117.00 110.29 1jtk n LEU 96 Ca -0.30 0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.69 1jtk n LEU 96 Cb 0.72 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1jtk n LEU 96 CO 0.24 -0.08 -0.49 0.00 -1.33 0.00 0.00 177.39 175.73 1jtk s THR 98 N -0.70 3.15 -0.54 0.00 -4.23 -1.26 -4.67 115.64 107.39 1jtk s THR 98 Ca 0.11 0.64 0.06 0.00 -1.18 0.00 0.00 61.69 61.32 1jtk s THR 98 Cb -0.10 -3.20 0.06 0.00 1.34 0.00 0.00 72.50 70.60 1jtk s THR 98 CO 0.00 -0.23 1.09 0.29 -0.54 0.00 0.00 174.62 175.23 1jtk n LYS 99 N -1.78 0.04 0.03 3.99 4.76 -1.26 -1.66 118.16 122.27 1jtk n LYS 99 Ca 0.11 0.46 0.11 0.00 -2.87 0.00 0.00 58.31 56.13 1jtk n LYS 99 Cb 0.51 -1.75 0.06 0.00 -1.84 0.00 0.00 35.03 32.01 1jtk n LYS 99 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1jtk n ASP 100 N -1.65 0.63 -4.69 4.39 5.75 -1.26 -3.51 116.55 116.21 1jtk n ASP 100 Ca -0.00 -0.19 -0.43 0.00 -0.01 0.00 0.00 54.79 54.15 1jtk n ASP 100 Cb 0.14 0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 40.88 1jtk n ASP 100 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1jtk n VAL 101 N -1.94 1.49 -3.21 2.12 0.31 -0.66 -4.79 118.33 111.65 1jtk n VAL 101 Ca 0.02 -0.37 -0.39 0.00 -0.01 0.00 0.00 64.34 63.59 1jtk n VAL 101 Cb 0.43 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 1jtk n VAL 101 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1jtk s ILE 102 N -0.58 5.13 -0.25 2.52 1.01 -0.78 -2.29 121.20 125.95 1jtk s ILE 102 Ca 0.61 1.13 -0.06 0.00 0.00 0.00 0.00 60.65 62.33 1jtk s ILE 102 Cb -0.60 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 1jtk s ILE 102 CO 0.56 0.28 0.04 -0.69 0.00 0.00 0.00 174.94 175.13 1jtk s VAL 103 N 0.84 4.02 -0.27 2.92 1.01 0.17 -0.85 120.40 128.25 1jtk s VAL 103 Ca 0.30 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1jtk s VAL 103 Cb -0.16 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1jtk s VAL 103 CO 0.13 0.32 0.09 -0.69 0.00 0.00 0.00 175.10 174.95 1jtk s VAL 104 N 1.56 4.31 -0.11 2.92 1.01 0.10 -1.35 120.40 128.84 1jtk s VAL 104 Ca 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1jtk s VAL 104 Cb -0.15 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1jtk s VAL 104 CO 0.02 0.25 -0.08 -0.76 0.00 0.00 0.00 175.10 174.52 1jtk s LEU 105 N 1.60 3.04 0.24 3.92 1.43 0.50 -1.03 118.68 128.37 1jtk s LEU 105 Ca 0.05 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1jtk s LEU 105 Cb -0.16 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1jtk s LEU 105 CO 0.04 0.26 0.45 0.28 0.23 0.00 0.00 176.35 177.61 1jtk s THR 106 N -0.18 0.00 0.00 5.49 -1.32 -0.72 -0.53 115.64 118.38 1jtk s THR 106 Ca 0.02 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 1jtk s THR 106 Cb -0.13 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 1jtk s THR 106 CO 0.03 -0.02 0.00 -0.46 -2.21 0.00 0.00 174.62 171.96 1jtk n ASN 107 N -0.37 0.14 -1.44 8.08 0.23 -1.18 -2.70 115.26 118.02 1jtk n ASN 107 Ca -0.02 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.11 1jtk n ASN 107 Cb 0.62 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.66 1jtk n ASN 107 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1jtk n LEU 108 N 0.00 4.73 -0.74 -4.53 4.77 -1.16 -4.41 117.00 115.66 1jtk n LEU 108 Ca 0.00 -2.71 0.05 0.00 -0.03 0.00 0.00 56.01 53.32 1jtk n LEU 108 Cb 0.00 -0.58 0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1jtk n LEU 108 CO 0.00 0.72 0.28 0.00 -1.33 0.00 0.00 177.39 177.06 1jtk n GLN 109 N 0.52 0.61 -0.81 3.23 6.02 -1.26 -5.00 117.38 120.68 1jtk n GLN 109 Ca 0.24 -2.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.10 1jtk n GLN 109 Cb 0.96 -0.80 0.00 0.00 1.02 0.00 0.00 30.24 31.42 1jtk n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jtk n GLY 110 N -0.39 0.88 3.72 1.08 0.00 -1.26 -5.02 105.19 104.20 1jtk n GLY 110 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1jtk n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jtk s GLN 111 N -0.19 4.38 -0.05 1.61 -1.52 -1.26 -4.95 119.66 117.67 1jtk s GLN 111 Ca 0.00 1.95 -0.00 0.00 -1.95 0.00 0.00 55.36 55.36 1jtk s GLN 111 Cb 0.00 -3.27 0.03 0.00 -0.22 0.00 0.00 33.01 29.54 1jtk s GLN 111 CO 0.00 -0.32 -0.01 0.42 -0.25 0.00 0.00 175.29 175.13 1jtk s ILE 112 N 0.86 0.38 -0.10 1.08 1.01 -1.26 -3.08 121.20 120.09 1jtk s ILE 112 Ca 0.60 0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.32 1jtk s ILE 112 Cb -0.34 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 41.66 1jtk s ILE 112 CO 0.31 0.23 -0.14 -0.75 0.00 0.00 0.00 174.94 174.59 1jtk s LYS 113 N 1.48 2.07 -0.08 2.79 2.20 0.31 -4.99 119.74 123.52 1jtk s LYS 113 Ca -0.03 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.10 1jtk s LYS 113 Cb -0.13 -1.76 -0.02 0.00 -1.51 0.00 0.00 37.83 34.41 1jtk s LYS 113 CO -0.03 -0.04 -0.16 -2.00 -0.36 0.00 0.00 175.35 172.76 1jtk s GLU 114 N 0.91 2.80 0.15 4.03 2.12 -1.26 -0.37 118.70 127.09 1jtk s GLU 114 Ca -0.09 -0.74 -0.17 0.00 0.36 0.00 0.00 54.97 54.34 1jtk s GLU 114 Cb -0.15 -2.41 0.03 0.00 0.26 0.00 0.00 34.13 31.86 1jtk s GLU 114 CO 0.00 0.43 0.45 0.00 -0.54 0.00 0.00 175.26 175.60 1jtk s MET 115 N -0.25 1.20 0.62 4.30 0.23 -0.46 -5.00 119.30 119.94 1jtk s MET 115 Ca 0.01 -0.77 -0.04 0.00 -1.03 0.00 0.00 55.69 53.86 1jtk s MET 115 Cb -0.13 0.49 0.04 0.00 -1.53 0.00 0.00 34.83 33.70 1jtk s MET 115 CO 0.03 -0.49 0.90 0.95 -2.03 0.00 0.00 175.02 174.38 1jtk s THR 116 N -3.83 2.78 0.20 3.16 -4.23 -1.26 0.44 115.64 112.90 1jtk s THR 116 Ca 0.06 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.11 1jtk s THR 116 Cb 0.01 -3.12 0.14 0.00 1.34 0.00 0.00 72.50 70.87 1jtk s THR 116 CO -0.08 -0.11 1.87 0.58 -0.54 0.00 0.00 174.62 176.33 1jtk h VAL 117 N -0.25 1.17 -0.79 2.29 2.07 -1.50 -0.75 116.25 118.49 1jtk h VAL 117 Ca -0.44 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1jtk h VAL 117 Cb 1.29 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1jtk h VAL 117 CO 0.58 0.17 0.51 -0.08 0.02 0.00 0.00 177.57 178.77 1jtk h GLU 118 N 0.96 1.05 0.00 1.57 4.57 -1.88 -2.21 114.58 118.64 1jtk h GLU 118 Ca 0.27 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.28 1jtk h GLU 118 Cb -0.09 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.26 1jtk h GLU 118 CO -0.07 0.71 -0.42 0.93 -1.18 0.00 0.00 179.01 178.98 1jtk h GLU 119 N 1.07 0.00 -0.36 1.92 5.08 -1.74 -0.49 114.58 120.06 1jtk h GLU 119 Ca 0.29 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1jtk h GLU 119 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1jtk h GLU 119 CO -0.06 0.42 -0.04 1.25 -1.00 0.00 0.00 179.01 179.58 1jtk h LEU 120 N 0.00 0.56 -5.48 1.33 5.85 -0.51 -3.37 115.31 113.69 1jtk h LEU 120 Ca -0.00 -0.13 -0.34 0.00 0.84 0.00 0.00 57.88 58.25 1jtk h LEU 120 Cb 0.81 -0.15 -0.24 0.00 0.37 0.00 0.00 40.66 41.45 1jtk h LEU 120 CO 0.05 0.66 -0.71 -0.11 -0.34 0.00 0.00 178.44 178.00 1jtk n LEU 121 N -4.24 -2.03 -4.69 2.25 7.94 -1.13 -5.02 117.00 110.09 1jtk n LEU 121 Ca 0.01 -3.65 -0.44 0.00 -1.11 0.00 0.00 56.01 50.81 1jtk n LEU 121 Cb 0.29 0.71 -0.04 0.00 0.53 0.00 0.00 43.42 44.91 1jtk n LEU 121 CO 0.40 1.96 1.32 -2.65 -1.11 0.00 0.00 177.39 177.31 1jtk n PRO 122 N 2.31 2.44 -2.37 1.96 -0.02 -0.21 -2.15 135.00 136.96 1jtk n PRO 122 Ca 0.19 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.41 1jtk n PRO 122 Cb 0.56 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1jtk n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jtk n GLY 123 N 3.79 -0.16 3.57 -1.23 0.00 -1.26 -4.95 105.19 104.95 1jtk n GLY 123 Ca 0.17 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1jtk n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jtk n ALA 124 N -1.95 -0.21 -1.78 4.61 0.00 -0.91 -4.88 120.51 115.38 1jtk n ALA 124 Ca -0.14 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1jtk n ALA 124 Cb 0.61 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 1jtk n ALA 124 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1jtk s PHE 125 N -1.38 2.84 0.33 0.00 5.36 -1.26 -4.98 117.98 118.89 1jtk s PHE 125 Ca 0.66 0.70 0.07 0.00 -0.96 0.00 0.00 56.93 57.39 1jtk s PHE 125 Cb -0.54 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.07 1jtk s PHE 125 CO 0.55 -3.63 0.26 -1.54 -1.46 0.00 0.00 175.22 169.40 1jtk s SER 126 N 0.67 1.63 0.43 6.13 1.04 -1.26 -4.98 113.70 117.37 1jtk s SER 126 Ca 0.66 -1.73 0.10 0.00 0.48 0.00 0.00 55.95 55.46 1jtk s SER 126 Cb -0.47 0.54 0.93 0.00 0.10 0.00 0.00 66.02 67.12 1jtk s SER 126 CO 0.43 -1.04 2.03 0.77 0.98 0.00 0.00 173.24 176.41 1jtk h SER 127 N 2.15 0.27 -0.13 7.02 4.64 -1.96 -1.07 113.55 124.47 1jtk h SER 127 Ca -0.26 -0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1jtk h SER 127 Cb 1.24 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1jtk h SER 127 CO 0.39 0.27 0.11 -0.33 -0.87 0.00 0.00 176.83 176.41 1jtk h GLU 128 N 0.30 0.00 0.00 4.77 3.07 -1.96 0.23 114.58 120.98 1jtk h GLU 128 Ca 0.07 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.83 1jtk h GLU 128 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1jtk h GLU 128 CO -0.00 0.00 -0.49 -0.44 -1.40 0.00 0.00 179.01 176.67 1jtk h ASP 129 N 0.00 0.00 1.09 1.42 3.32 -1.60 -3.07 116.42 117.59 1jtk h ASP 129 Ca 0.06 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 1jtk h ASP 129 Cb 0.29 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1jtk h ASP 129 CO -0.00 0.49 -0.92 -0.07 -1.72 0.00 0.00 179.24 177.03 1jtk h LEU 130 N 0.00 0.00 0.00 1.55 3.38 -1.02 -3.50 115.31 115.72 1jtk h LEU 130 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jtk h LEU 130 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1jtk h LEU 130 CO 0.06 0.87 0.00 1.41 0.09 0.00 0.00 178.44 180.87