#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 4.29 0.53 6.12 2.20 -1.26 -4.84 114.94 121.98 1jtk s ASN 2 Ca 0.00 0.25 0.21 0.00 -0.94 0.00 0.00 52.86 52.37 1jtk s ASN 2 Cb 0.00 -0.68 1.39 0.00 -2.00 0.00 0.00 41.25 39.96 1jtk s ASN 2 CO 0.00 -1.94 2.14 0.08 -2.94 0.00 0.00 177.10 174.44 1jtk h ARG 3 N -0.85 0.00 -0.15 3.55 0.11 -2.04 -0.99 114.38 114.00 1jtk h ARG 3 Ca -0.43 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.64 1jtk h ARG 3 Cb 1.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 1jtk h ARG 3 CO 0.51 0.05 0.04 0.37 0.10 0.00 0.00 179.97 181.03 1jtk h GLN 4 N 0.00 0.24 -0.20 0.08 -0.00 -1.99 -0.54 115.11 112.70 1jtk h GLN 4 Ca -0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 1jtk h GLN 4 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 1jtk h GLN 4 CO 0.01 0.39 -0.41 0.93 0.00 0.00 0.00 178.83 179.75 1jtk h GLU 5 N 0.05 0.46 -0.04 1.69 5.08 -1.76 -2.56 114.58 117.51 1jtk h GLU 5 Ca 0.05 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1jtk h GLU 5 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1jtk h GLU 5 CO 0.00 0.79 -0.46 1.25 -1.00 0.00 0.00 179.01 179.59 1jtk h LEU 6 N 0.38 0.10 -0.49 1.33 5.85 -1.05 -2.50 115.31 118.93 1jtk h LEU 6 Ca 0.03 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1jtk h LEU 6 Cb 0.88 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1jtk h LEU 6 CO 0.07 0.55 -0.05 0.40 -0.34 0.00 0.00 178.44 179.07 1jtk h ILE 7 N 0.08 1.27 -0.20 4.05 2.04 -0.81 -1.89 117.51 122.04 1jtk h ILE 7 Ca 0.00 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1jtk h ILE 7 Cb 0.85 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1jtk h ILE 7 CO 0.06 0.40 -0.01 0.71 0.00 0.00 0.00 178.15 179.32 1jtk h THR 8 N 0.76 1.14 -0.33 -0.27 1.35 -1.13 0.18 112.91 114.60 1jtk h THR 8 Ca 0.13 -0.54 -0.04 0.00 -0.55 0.00 0.00 66.41 65.42 1jtk h THR 8 Cb 0.59 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1jtk h THR 8 CO 0.04 0.18 0.05 -0.33 -0.25 0.00 0.00 175.52 175.21 1jtk h GLU 9 N 0.29 0.55 -0.42 4.72 4.39 -1.02 -1.80 114.58 121.29 1jtk h GLU 9 Ca 0.07 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1jtk h GLU 9 Cb 0.22 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1jtk h GLU 9 CO 0.01 0.63 -0.03 0.00 -1.16 0.00 0.00 179.01 178.46 1jtk h ALA 10 N 0.89 1.16 -0.65 3.43 0.00 -0.59 -0.25 119.26 123.25 1jtk h ALA 10 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1jtk h ALA 10 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1jtk h ALA 10 CO 0.01 0.54 0.19 -0.07 0.00 0.00 0.00 179.25 179.92 1jtk h LEU 11 N 0.65 0.93 -0.22 0.00 3.38 -0.77 -0.64 115.31 118.65 1jtk h LEU 11 Ca 0.13 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1jtk h LEU 11 Cb 0.45 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jtk h LEU 11 CO 0.02 0.88 -0.32 0.11 0.09 0.00 0.00 178.44 179.22 1jtk h LYS 12 N 0.96 0.60 -0.37 1.13 1.57 -0.89 -3.03 116.57 116.54 1jtk h LYS 12 Ca 0.21 -0.35 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1jtk h LYS 12 Cb 0.29 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1jtk h LYS 12 CO -0.01 0.96 0.25 0.00 -0.57 0.00 0.00 179.45 180.08 1jtk h ALA 13 N 0.63 1.91 -0.24 3.86 0.00 -0.75 -1.77 119.26 122.90 1jtk h ALA 13 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jtk h ALA 13 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1jtk h ALA 13 CO 0.07 0.04 0.13 -0.09 0.00 0.00 0.00 179.25 179.40 1jtk h ARG 14 N 0.35 0.32 0.00 0.00 2.43 -0.99 -1.78 114.38 114.72 1jtk h ARG 14 Ca 0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1jtk h ARG 14 Cb 0.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1jtk h ARG 14 CO -0.03 0.24 0.00 -0.25 -1.51 0.00 0.00 179.97 178.42 1jtk n ASP 15 N -4.47 0.00 -0.16 -3.80 8.00 -0.67 -2.37 116.55 113.08 1jtk n ASP 15 Ca 0.01 0.43 0.12 0.00 0.71 0.00 0.00 54.79 56.05 1jtk n ASP 15 Cb 0.10 -0.47 0.17 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.47 0.46 -1.69 -1.24 2.81 -0.67 -4.98 117.12 110.34 1jtk n MET 16 Ca 0.04 -0.32 -0.42 0.00 -1.81 0.00 0.00 57.70 55.19 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 -0.99 1.23 -3.66 3.04 0.00 -1.00 -4.96 120.51 114.16 1jtk n ALA 17 Ca 0.08 0.32 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 1jtk n ALA 17 Cb 0.36 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.47 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 -0.57 -4.96 117.35 118.79 1jtk s TYR 18 Ca 0.58 -2.41 0.09 0.00 -2.44 0.00 0.00 57.07 52.90 1jtk s TYR 18 Cb -0.55 -3.32 0.30 0.00 0.35 0.00 0.00 41.96 38.74 1jtk s TYR 18 CO 0.60 -0.92 0.67 0.00 -1.34 0.00 0.00 175.55 174.56 1jtk n ALA 19 N 4.10 2.55 0.51 3.97 0.00 -1.26 -0.41 120.51 129.97 1jtk n ALA 19 Ca 0.03 -3.61 0.12 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 0.72 0.17 -0.06 0.00 -0.04 -1.26 -1.10 135.00 133.43 1jtk n PRO 20 Ca 0.24 0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 63.80 1jtk n PRO 20 Cb 0.57 -1.77 -0.12 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.08 0.98 0.04 0.54 4.02 -1.26 -4.47 117.16 114.93 1jtk n TYR 21 Ca 0.04 0.31 0.04 0.00 -0.01 0.00 0.00 57.90 58.28 1jtk n TYR 21 Cb 0.28 -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 -3.98 0.71 -1.79 7.72 3.41 -1.25 -4.94 113.62 113.51 1jtk n SER 22 Ca -0.35 0.30 -0.20 0.00 -0.26 0.00 0.00 58.87 58.36 1jtk n SER 22 Cb 0.86 0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 65.26 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 -2.75 -1.45 -3.80 4.33 4.01 -0.25 -4.94 118.16 113.30 1jtk n LYS 23 Ca -0.08 1.12 -0.36 0.00 -0.51 0.00 0.00 58.31 58.48 1jtk n LYS 23 Cb 0.74 -5.55 -0.12 0.00 -0.51 0.00 0.00 35.03 29.59 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 -2.83 3.55 0.03 2.13 5.36 -1.26 -5.08 117.98 119.89 1jtk s PHE 24 Ca 0.00 -2.35 -0.20 0.00 -0.96 0.00 0.00 56.93 53.42 1jtk s PHE 24 Cb 0.00 -3.07 -0.06 0.00 -0.34 0.00 0.00 43.02 39.55 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 1.15 4.28 0.04 10.12 -0.21 -1.26 -4.88 119.66 128.90 1jtk s GLN 25 Ca 0.07 0.74 0.06 0.00 0.02 0.00 0.00 55.36 56.25 1jtk s GLN 25 Cb -0.22 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.46 1jtk s GLN 25 CO -0.04 0.47 -0.18 0.08 -2.12 0.00 0.00 175.29 173.50 1jtk s VAL 26 N -0.53 1.43 0.12 1.09 1.01 -1.26 -4.37 120.40 117.89 1jtk s VAL 26 Ca 0.30 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1jtk s VAL 26 Cb -0.19 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1jtk s VAL 26 CO 0.18 0.15 -0.16 -0.83 0.00 0.00 0.00 175.10 174.45 1jtk s GLY 27 N -1.08 1.11 -0.02 4.51 0.00 0.02 -3.13 107.32 108.74 1jtk s GLY 27 Ca 0.05 -1.26 -0.17 0.00 0.00 0.00 0.00 44.72 43.34 1jtk s GLY 27 CO 0.01 -1.31 0.35 0.00 0.00 0.00 0.00 173.10 172.16 1jtk s ALA 28 N -1.84 -0.90 -0.04 3.20 0.00 -0.34 -0.67 121.76 121.16 1jtk s ALA 28 Ca 0.08 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1jtk s ALA 28 Cb -0.07 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.16 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 -1.33 0.23 -0.22 0.00 0.00 -0.33 -0.43 121.76 119.67 1jtk s ALA 29 Ca -0.13 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 1jtk s ALA 29 Cb -0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1jtk s ALA 29 CO 0.05 -0.43 0.07 -1.17 0.00 0.00 0.00 175.76 174.27 1jtk s LEU 30 N 2.01 3.58 -0.25 0.00 2.96 0.61 -1.36 118.68 126.23 1jtk s LEU 30 Ca 0.03 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 1jtk s LEU 30 Cb -0.12 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1jtk s LEU 30 CO -0.03 0.04 0.12 -0.22 -1.32 0.00 0.00 176.35 174.94 1jtk s LEU 31 N 1.17 3.73 0.77 -0.68 2.96 0.38 -1.02 118.68 125.97 1jtk s LEU 31 Ca 0.04 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.77 1jtk s LEU 31 Cb -0.14 -2.01 0.07 0.00 0.50 0.00 0.00 46.19 44.61 1jtk s LEU 31 CO 0.03 -0.01 1.12 0.42 -1.32 0.00 0.00 176.35 176.60 1jtk s THR 32 N 1.48 2.26 0.38 3.68 -4.23 -0.33 -0.45 115.64 118.44 1jtk s THR 32 Ca 0.06 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1jtk s THR 32 Cb -0.15 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.84 1jtk s THR 32 CO 0.06 -0.08 1.97 0.11 -0.54 0.00 0.00 174.62 176.15 1jtk h LYS 33 N -0.88 0.48 -0.02 3.99 1.79 -1.35 -1.55 116.57 119.03 1jtk h LYS 33 Ca -0.45 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1jtk h LYS 33 Cb 1.32 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1jtk h LYS 33 CO 0.64 0.43 0.00 -0.25 -1.08 0.00 0.00 179.45 179.19 1jtk n ASP 34 N -4.38 0.14 0.00 0.86 8.00 -1.26 -4.89 116.55 115.02 1jtk n ASP 34 Ca 0.02 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 53.96 1jtk n ASP 34 Cb 0.16 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.58 -5.05 105.19 105.17 1jtk n GLY 35 Ca 0.11 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.47 4.18 -0.14 1.61 2.20 -1.26 -4.82 119.74 121.03 1jtk s LYS 36 Ca 0.00 0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 56.32 1jtk s LYS 36 Cb 0.00 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1jtk s LYS 36 CO 0.00 0.53 -0.09 0.08 -0.36 0.00 0.00 175.35 175.50 1jtk s VAL 37 N -1.32 3.36 -0.16 4.02 1.01 -1.26 -1.19 120.40 124.87 1jtk s VAL 37 Ca 0.35 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1jtk s VAL 37 Cb -0.18 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 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 0.41 2.88 0.11 5.22 1.51 -0.19 -4.93 117.35 122.35 1jtk s TYR 38 Ca -0.08 -0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 55.25 1jtk s TYR 38 Cb -0.15 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 1jtk s TYR 38 CO 0.04 -0.27 0.36 1.03 -1.11 0.00 0.00 175.55 175.60 1jtk s ARG 39 N 0.62 3.63 0.05 -0.62 0.52 -1.26 -0.28 118.95 121.61 1jtk s ARG 39 Ca -0.06 -0.05 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 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 0.03 0.52 0.02 0.20 0.02 0.00 0.00 175.30 176.09 1jtk s GLY 40 N -2.19 0.32 0.08 -3.53 0.00 0.42 -4.36 107.32 98.07 1jtk s GLY 40 Ca 0.37 -0.89 -0.14 0.00 0.00 0.00 0.00 44.72 44.07 1jtk s GLY 40 CO 0.22 -1.01 0.32 0.00 0.00 0.00 0.00 173.10 172.63 1jtk s ASN 42 N -2.54 6.90 -0.18 0.00 4.22 -1.18 -3.76 114.94 118.40 1jtk s ASN 42 Ca 0.00 2.03 -0.01 0.00 -2.14 0.00 0.00 52.86 52.74 1jtk s ASN 42 Cb 0.02 -2.59 0.05 0.00 1.28 0.00 0.00 41.25 40.01 1jtk s ASN 42 CO -0.08 -0.39 -0.01 -0.63 -2.04 0.00 0.00 177.10 173.95 1jtk s ILE 43 N -1.60 0.83 0.63 0.54 1.01 0.02 -1.51 121.20 121.11 1jtk s ILE 43 Ca 0.55 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 1jtk s ILE 43 Cb -0.22 -1.17 0.06 0.00 0.01 0.00 0.00 42.46 41.13 1jtk s ILE 43 CO 0.28 -0.05 0.89 -1.61 0.00 0.00 0.00 174.94 174.45 1jtk s GLU 44 N 1.73 2.27 -0.03 2.79 2.02 0.45 -0.59 118.70 127.35 1jtk s GLU 44 Ca -0.01 -0.67 -0.09 0.00 0.02 0.00 0.00 54.97 54.22 1jtk s GLU 44 Cb -0.16 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.72 1jtk s GLU 44 CO -0.07 -1.01 0.20 1.21 0.02 0.00 0.00 175.26 175.61 1jtk s ASN 45 N -4.51 -0.11 0.51 -0.19 3.84 -1.26 -4.88 114.94 108.34 1jtk s ASN 45 Ca 0.60 0.07 0.23 0.00 0.21 0.00 0.00 52.86 53.97 1jtk s ASN 45 Cb -0.10 0.31 1.32 0.00 -0.55 0.00 0.00 41.25 42.23 1jtk s ASN 45 CO 0.41 -0.29 1.97 0.00 -2.79 0.00 0.00 177.10 176.41 1jtk h ALA 46 N 4.70 2.42 -2.29 1.71 0.00 -2.00 -3.12 119.26 120.68 1jtk h ALA 46 Ca -0.29 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 53.87 1jtk h ALA 46 Cb 1.19 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1jtk h ALA 46 CO 0.39 -0.59 0.35 0.00 0.00 0.00 0.00 179.25 179.41 1jtk s ALA 47 N -5.11 3.68 0.32 0.00 0.00 -1.26 -4.94 121.76 114.44 1jtk s ALA 47 Ca -0.06 -2.88 0.18 0.00 0.00 0.00 0.00 51.96 49.21 1jtk s ALA 47 Cb 0.20 -3.70 1.15 0.00 0.00 0.00 0.00 23.12 20.76 1jtk s ALA 47 CO 0.74 -2.54 1.33 0.66 0.00 0.00 0.00 175.76 175.96 1jtk n TYR 48 N 5.42 0.96 -0.07 0.00 0.53 -1.18 -0.97 117.16 121.85 1jtk n TYR 48 Ca 0.12 0.97 0.21 0.00 -1.02 0.00 0.00 57.90 58.18 1jtk n TYR 48 Cb 0.47 -1.38 0.67 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 0.06 -0.03 7.72 0.02 -1.92 -1.67 113.55 117.73 1jtk h SER 49 Ca 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.67 1jtk h SER 49 Cb 1.93 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1jtk h SER 49 CO -0.63 0.03 0.00 0.23 -1.14 0.00 0.00 176.83 175.32 1jtk n MET 50 N -4.37 1.37 -1.88 3.45 2.81 -0.14 -4.92 117.12 113.44 1jtk n MET 50 Ca 0.12 -0.55 -0.37 0.00 -1.81 0.00 0.00 57.70 55.10 1jtk n MET 50 Cb 0.68 -1.45 0.04 0.00 -0.71 0.00 0.00 33.22 31.78 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 -1.34 2.59 0.41 0.00 2.47 0.24 -4.99 114.94 114.32 1jtk s ASN 52 Ca 0.77 -0.58 -0.02 0.00 0.42 0.00 0.00 52.86 53.45 1jtk s ASN 52 Cb -0.35 -0.19 -0.03 0.00 -1.45 0.00 0.00 41.25 39.22 1jtk s ASN 52 CO 0.39 0.14 0.65 0.00 -3.72 0.00 0.00 177.10 174.56 1jtk h ALA 54 N 0.52 0.39 -0.39 0.00 0.00 -1.84 -0.56 119.26 117.37 1jtk h ALA 54 Ca -0.48 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1jtk h ALA 54 Cb 1.22 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1jtk h ALA 54 CO 0.61 -0.20 0.03 0.93 0.00 0.00 0.00 179.25 180.62 1jtk h GLU 55 N 0.35 0.14 -0.05 0.00 3.07 -1.89 -1.94 114.58 114.26 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 0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1jtk h GLU 55 CO -0.07 0.09 -0.58 0.00 -1.40 0.00 0.00 179.01 177.05 1jtk h ARG 56 N 0.14 0.16 -0.49 2.33 3.08 -1.87 -2.35 114.38 115.38 1jtk h ARG 56 Ca 0.19 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1jtk h ARG 56 Cb 0.25 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1jtk h ARG 56 CO -0.29 0.69 0.24 1.15 -1.07 0.00 0.00 179.97 180.69 1jtk h THR 57 N 0.12 1.19 -0.29 2.04 2.02 -0.54 0.99 112.91 118.43 1jtk h THR 57 Ca -0.00 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1jtk h THR 57 Cb 1.05 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1jtk h THR 57 CO 0.08 0.21 0.07 0.00 0.37 0.00 0.00 175.52 176.25 1jtk h ALA 58 N 1.08 0.38 -0.51 6.16 0.00 -1.30 -1.63 119.26 123.44 1jtk h ALA 58 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jtk h ALA 58 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jtk h ALA 58 CO -0.02 0.03 0.14 -0.07 0.00 0.00 0.00 179.25 179.33 1jtk h LEU 59 N 0.30 0.75 -0.77 0.00 3.38 -1.26 -1.61 115.31 116.10 1jtk h LEU 59 Ca 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1jtk h LEU 59 Cb 0.28 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1jtk h LEU 59 CO 0.00 0.77 0.40 -0.26 0.09 0.00 0.00 178.44 179.45 1jtk h PHE 60 N 0.69 1.07 -0.21 1.13 0.05 -0.75 -1.00 116.94 117.94 1jtk h PHE 60 Ca 0.16 -0.04 -0.00 0.00 3.82 0.00 0.00 57.97 61.91 1jtk h PHE 60 Cb 0.30 -0.34 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 1jtk h PHE 60 CO 0.02 0.77 0.12 -0.22 -0.18 0.00 0.00 178.31 178.81 1jtk h LYS 61 N 1.07 0.29 0.47 1.51 3.64 -1.10 -1.72 116.57 120.73 1jtk h LYS 61 Ca 0.27 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1jtk h LYS 61 Cb 0.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1jtk h LYS 61 CO -0.04 0.25 -0.23 0.00 -2.27 0.00 0.00 179.45 177.17 1jtk h ALA 62 N 1.02 -0.63 -0.96 5.00 0.00 -0.96 -2.65 119.26 120.08 1jtk h ALA 62 Ca 0.07 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1jtk h ALA 62 Cb 0.04 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1jtk h ALA 62 CO -0.01 -0.80 0.62 0.28 0.00 0.00 0.00 179.25 179.33 1jtk h VAL 63 N -0.73 1.06 0.00 0.00 2.07 -1.14 -0.83 116.25 116.68 1jtk h VAL 63 Ca -0.06 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1jtk h VAL 63 Cb 0.53 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1jtk h VAL 63 CO 0.11 0.20 -0.22 0.77 0.02 0.00 0.00 177.57 178.45 1jtk h SER 64 N 1.09 0.00 0.46 0.57 4.64 -1.24 -1.86 113.55 117.20 1jtk h SER 64 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1jtk h SER 64 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1jtk h SER 64 CO -0.17 0.22 -0.15 -0.62 -0.87 0.00 0.00 176.83 175.24 1jtk n GLU 65 N -3.77 0.51 -0.12 4.77 -0.58 -0.40 -4.91 120.64 116.15 1jtk n GLU 65 Ca -0.02 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1jtk n GLU 65 Cb 0.32 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.65 3.58 0.62 0.00 -0.70 -5.05 105.19 105.63 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 -2.78 6.42 -0.01 1.61 -0.00 -0.73 -4.90 116.67 116.28 1jtk s ASP 67 Ca 0.00 0.25 0.02 0.00 -0.00 0.00 0.00 52.55 52.82 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 -0.48 0.82 0.35 -0.00 0.00 0.00 175.17 175.86 1jtk n THR 68 N 5.42 0.61 -4.06 -1.27 -2.24 -1.26 -3.14 114.28 108.34 1jtk n THR 68 Ca -0.02 -0.65 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 1jtk n THR 68 Cb 0.49 0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.70 2.49 0.33 -0.78 0.41 -1.26 -4.95 118.70 114.24 1jtk s GLU 69 Ca 0.03 -1.19 0.10 0.00 -0.41 0.00 0.00 54.97 53.50 1jtk s GLU 69 Cb 0.03 -2.85 -0.06 0.00 -1.78 0.00 0.00 34.13 29.46 1jtk s GLU 69 CO 0.00 -0.48 -0.08 -0.06 -0.49 0.00 0.00 175.26 174.15 1jtk s PHE 70 N 1.18 2.43 0.00 1.61 0.40 -1.26 -1.05 117.98 121.29 1jtk s PHE 70 Ca -0.05 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1jtk s PHE 70 Cb -0.18 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1jtk s PHE 70 CO -0.06 0.58 0.00 0.00 0.70 0.00 0.00 175.22 176.44 1jtk n GLN 71 N -0.81 2.45 -3.61 0.44 10.64 0.41 -4.62 117.38 122.28 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 -0.81 -0.07 0.00 -0.86 0.00 0.00 30.24 29.12 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 -1.54 0.91 -0.07 2.61 0.00 -1.14 -1.83 119.30 118.24 1jtk s MET 72 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 55.69 55.86 1jtk s MET 72 Cb 0.00 0.42 0.03 0.00 0.00 0.00 0.00 34.83 35.28 1jtk s MET 72 CO 0.00 -0.26 0.00 -1.17 0.00 0.00 0.00 175.02 173.59 1jtk s LEU 73 N -1.08 0.59 -0.08 4.11 2.96 -0.04 -0.47 118.68 124.65 1jtk s LEU 73 Ca -0.11 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1jtk s LEU 73 Cb -0.02 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.20 1jtk s LEU 73 CO 0.07 -0.19 0.02 0.00 -1.32 0.00 0.00 176.35 174.93 1jtk s ALA 74 N 1.97 3.36 -0.02 5.97 0.00 -0.47 -0.00 121.76 132.57 1jtk s ALA 74 Ca 0.05 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1jtk s ALA 74 Cb -0.12 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1jtk s ALA 74 CO -0.05 0.60 -0.06 0.08 0.00 0.00 0.00 175.76 176.32 1jtk s VAL 75 N -0.91 0.55 -0.01 0.00 1.01 -0.24 -1.19 120.40 119.60 1jtk s VAL 75 Ca 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1jtk s VAL 75 Cb -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1jtk s VAL 75 CO 0.03 0.18 0.08 0.00 0.00 0.00 0.00 175.10 175.38 1jtk s ALA 76 N 0.14 -0.17 0.23 5.51 0.00 0.15 -1.71 121.76 125.91 1jtk s ALA 76 Ca -0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.69 1jtk s ALA 76 Cb -0.06 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.08 1jtk s ALA 76 CO -0.00 -0.11 0.68 0.00 0.00 0.00 0.00 175.76 176.33 1jtk s ALA 77 N -0.65 -1.36 -0.95 0.00 0.00 -1.21 -0.80 121.76 116.78 1jtk s ALA 77 Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 1jtk s ALA 77 Cb -0.04 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1jtk s ALA 77 CO 0.00 -0.94 2.81 -3.47 0.00 0.00 0.00 175.76 174.16 1jtk n ASP 78 N -0.43 7.34 -4.97 0.00 2.03 -1.26 -3.03 116.55 116.22 1jtk n ASP 78 Ca -0.09 -2.93 -0.21 0.00 0.52 0.00 0.00 54.79 52.09 1jtk n ASP 78 Cb 0.61 -1.38 -0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 -0.38 4.24 0.19 5.18 -4.23 -1.26 -4.96 115.64 114.42 1jtk s THR 79 Ca 0.61 -0.82 -0.12 0.00 -1.18 0.00 0.00 61.69 60.18 1jtk s THR 79 Cb 0.26 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.69 1jtk s THR 79 CO -0.11 -0.25 1.77 -0.65 -0.54 0.00 0.00 174.62 174.85 1jtk h PRO 80 N 0.77 0.46 0.00 3.99 0.11 -2.01 -3.43 132.00 131.89 1jtk h PRO 80 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.55 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 1jtk n GLY 81 N -1.26 5.00 3.69 -0.55 0.00 -1.26 -5.02 105.19 105.79 1jtk n GLY 81 Ca 0.06 -2.11 -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 2.14 -1.90 1.61 -0.02 -1.26 -4.38 135.00 131.19 1jtk n PRO 82 Ca 0.00 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 1jtk n PRO 82 Cb 0.00 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.08 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 2.38 -0.29 -1.45 0.11 -1.10 -4.83 120.40 114.58 1jtk s VAL 83 Ca 0.61 0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 59.83 1jtk s VAL 83 Cb -0.59 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 1jtk s VAL 83 CO 0.57 0.05 0.36 -0.55 -3.33 0.00 0.00 175.10 172.20 1jtk s SER 84 N 0.46 6.22 0.34 3.54 0.15 -1.26 -4.63 113.70 118.51 1jtk s SER 84 Ca 0.62 0.13 -0.29 0.00 0.70 0.00 0.00 55.95 57.10 1jtk s SER 84 Cb -0.45 -2.20 -0.11 0.00 -1.71 0.00 0.00 66.02 61.55 1jtk s SER 84 CO 0.45 -0.22 1.52 -2.84 1.20 0.00 0.00 173.24 173.35 1jtk s PRO 85 N 2.05 4.13 0.83 5.44 0.02 -1.26 -4.96 135.00 141.24 1jtk s PRO 85 Ca 0.14 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 63.60 1jtk s PRO 85 Cb -0.16 -3.00 0.09 0.00 0.02 0.00 0.00 34.50 31.45 1jtk s PRO 85 CO 0.11 -0.56 1.09 0.00 -0.33 0.00 0.00 177.00 177.31 1jtk h GLY 87 N -1.30 1.46 1.01 0.00 0.00 -1.99 -1.60 103.07 100.65 1jtk h GLY 87 Ca -0.46 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 1jtk h GLY 87 CO 0.53 0.10 0.39 0.00 0.00 0.00 0.00 176.54 177.56 1jtk h ALA 88 N 1.58 0.97 -0.39 3.60 0.00 -1.99 -0.84 119.26 122.18 1jtk h ALA 88 Ca 0.49 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1jtk h ALA 88 Cb 0.65 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jtk h ALA 88 CO -0.25 0.50 -0.20 0.00 0.00 0.00 0.00 179.25 179.31 1jtk h ARG 90 N 0.64 0.74 -0.22 0.00 3.08 -1.07 0.18 114.38 117.73 1jtk h ARG 90 Ca 0.09 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1jtk h ARG 90 Cb 0.76 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1jtk h ARG 90 CO 0.06 0.57 0.00 0.37 -1.07 0.00 0.00 179.97 179.90 1jtk h GLN 91 N 0.75 0.38 -0.55 0.04 5.75 -0.94 -0.69 115.11 119.85 1jtk h GLN 91 Ca 0.19 -0.12 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 1jtk h GLN 91 Cb 0.06 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1jtk h GLN 91 CO -0.03 0.56 -0.07 0.28 -2.65 0.00 0.00 178.83 176.92 1jtk h VAL 92 N 0.15 1.27 -0.36 2.39 2.07 -0.97 -2.85 116.25 117.94 1jtk h VAL 92 Ca 0.06 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1jtk h VAL 92 Cb 0.39 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1jtk h VAL 92 CO 0.01 0.43 0.21 0.40 0.02 0.00 0.00 177.57 178.64 1jtk h ILE 93 N 0.90 1.13 0.00 4.57 2.04 -0.52 -0.37 117.51 125.27 1jtk h ILE 93 Ca 0.15 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1jtk h ILE 93 Cb 0.63 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1jtk h ILE 93 CO 0.04 0.14 -0.02 0.77 0.00 0.00 0.00 178.15 179.08 1jtk h SER 94 N 0.46 0.00 0.02 1.72 4.64 -0.98 0.86 113.55 120.27 1jtk h SER 94 Ca 0.13 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.21 1jtk h SER 94 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1jtk h SER 94 CO -0.02 0.02 -1.29 -0.08 -0.87 0.00 0.00 176.83 174.59 1jtk h GLU 95 N 0.00 0.05 0.00 4.77 4.57 -1.20 -3.40 114.58 119.36 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 0.13 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1jtk h GLU 95 CO 0.00 1.04 -0.39 1.28 -1.18 0.00 0.00 179.01 179.76 1jtk n LEU 96 N -4.30 0.69 -4.42 1.64 4.77 -0.19 -4.85 117.00 110.33 1jtk n LEU 96 Ca -0.31 0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.69 1jtk n LEU 96 Cb 0.73 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1jtk n LEU 96 CO 0.24 -0.08 -0.49 0.00 -1.33 0.00 0.00 177.39 175.72 1jtk s THR 98 N -0.71 3.12 -0.49 0.00 -4.23 -1.26 -4.67 115.64 107.39 1jtk s THR 98 Ca 0.11 0.60 0.08 0.00 -1.18 0.00 0.00 61.69 61.30 1jtk s THR 98 Cb -0.10 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.65 1jtk s THR 98 CO 0.00 -0.24 1.16 0.29 -0.54 0.00 0.00 174.62 175.30 1jtk n LYS 99 N -1.92 0.05 0.03 3.99 4.76 -1.26 -1.77 118.16 122.05 1jtk n LYS 99 Ca 0.11 0.49 0.11 0.00 -2.87 0.00 0.00 58.31 56.16 1jtk n LYS 99 Cb 0.51 -1.79 0.07 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.74 0.63 -4.69 4.39 5.75 -1.26 -3.47 116.55 116.16 1jtk n ASP 100 Ca -0.01 -0.15 -0.43 0.00 -0.01 0.00 0.00 54.79 54.19 1jtk n ASP 100 Cb 0.13 0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 40.81 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 -1.95 1.48 -3.21 2.12 0.31 -0.73 -4.79 118.33 111.57 1jtk n VAL 101 Ca 0.03 -0.37 -0.39 0.00 -0.01 0.00 0.00 64.34 63.60 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 -0.57 5.13 -0.25 2.52 1.01 -0.76 -2.24 121.20 126.04 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 0.83 4.06 -0.28 2.92 1.01 0.18 -0.87 120.40 128.26 1jtk s VAL 103 Ca 0.30 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 1jtk s VAL 103 Cb -0.16 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1jtk s VAL 103 CO 0.13 0.34 0.09 -0.69 0.00 0.00 0.00 175.10 174.97 1jtk s VAL 104 N 1.57 4.24 -0.11 2.92 1.01 1.00 -1.34 120.40 129.70 1jtk s VAL 104 Ca 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1jtk s VAL 104 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1jtk s VAL 104 CO 0.02 0.21 -0.06 -0.76 0.00 0.00 0.00 175.10 174.50 1jtk s LEU 105 N 1.58 3.15 0.23 3.92 1.43 0.52 -1.08 118.68 128.43 1jtk s LEU 105 Ca 0.05 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 1jtk s LEU 105 Cb -0.16 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1jtk s LEU 105 CO 0.04 0.27 0.45 0.28 0.23 0.00 0.00 176.35 177.61 1jtk s THR 106 N -0.26 0.01 0.00 5.49 -1.32 -0.70 -0.61 115.64 118.25 1jtk s THR 106 Ca 0.04 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.14 1jtk s THR 106 Cb -0.13 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 1jtk s THR 106 CO 0.02 -0.04 0.00 -0.46 -2.21 0.00 0.00 174.62 171.93 1jtk n ASN 107 N -0.36 0.01 -1.30 8.08 0.23 -1.17 -2.72 115.26 118.04 1jtk n ASN 107 Ca -0.03 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.10 1jtk n ASN 107 Cb 0.62 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.63 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 4.44 -0.75 -4.53 4.77 -1.17 -4.42 117.00 115.34 1jtk n LEU 108 Ca 0.00 -2.66 0.05 0.00 -0.03 0.00 0.00 56.01 53.37 1jtk n LEU 108 Cb 0.00 -0.54 0.09 0.00 -2.33 0.00 0.00 43.42 40.64 1jtk n LEU 108 CO 0.00 0.72 0.28 0.00 -1.33 0.00 0.00 177.39 177.07 1jtk n GLN 109 N 0.43 0.68 -0.77 3.23 6.02 -1.26 -5.00 117.38 120.70 1jtk n GLN 109 Ca 0.23 -2.24 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 1jtk n GLN 109 Cb 0.89 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 31.31 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 -0.43 0.97 3.72 1.08 0.00 -1.26 -5.02 105.19 104.26 1jtk n GLY 110 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.36 -0.05 1.61 -1.52 -1.26 -4.95 119.66 117.66 1jtk s GLN 111 Ca 0.00 2.00 -0.00 0.00 -1.95 0.00 0.00 55.36 55.40 1jtk s GLN 111 Cb 0.00 -3.26 0.03 0.00 -0.22 0.00 0.00 33.01 29.56 1jtk s GLN 111 CO 0.00 -0.35 -0.00 0.42 -0.25 0.00 0.00 175.29 175.11 1jtk s ILE 112 N 0.87 0.30 -0.09 1.08 1.01 -1.26 -3.07 121.20 120.04 1jtk s ILE 112 Ca 0.61 0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.37 1jtk s ILE 112 Cb -0.35 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1jtk s ILE 112 CO 0.32 0.21 -0.13 -0.75 0.00 0.00 0.00 174.94 174.58 1jtk s LYS 113 N 1.43 1.97 -0.08 2.79 2.20 0.22 -4.99 119.74 123.29 1jtk s LYS 113 Ca -0.04 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1jtk s LYS 113 Cb -0.13 -1.69 -0.02 0.00 -1.51 0.00 0.00 37.83 34.48 1jtk s LYS 113 CO -0.03 -0.05 -0.16 -2.00 -0.36 0.00 0.00 175.35 172.75 1jtk s GLU 114 N 0.94 2.78 0.15 4.03 2.12 -1.26 -0.35 118.70 127.10 1jtk s GLU 114 Ca -0.08 -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 31.87 1jtk s GLU 114 CO -0.00 0.45 0.46 0.00 -0.54 0.00 0.00 175.26 175.62 1jtk s MET 115 N -0.28 1.19 0.63 4.30 0.23 -0.45 -5.00 119.30 119.92 1jtk s MET 115 Ca 0.02 -0.75 -0.04 0.00 -1.03 0.00 0.00 55.69 53.88 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 0.92 0.95 -2.03 0.00 0.00 175.02 174.40 1jtk s THR 116 N -3.83 2.82 0.21 3.16 -4.23 -1.26 0.49 115.64 113.00 1jtk s THR 116 Ca 0.05 -0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 60.17 1jtk s THR 116 Cb 0.01 -3.15 0.15 0.00 1.34 0.00 0.00 72.50 70.84 1jtk s THR 116 CO -0.09 -0.15 1.87 0.58 -0.54 0.00 0.00 174.62 176.29 1jtk h VAL 117 N -0.30 1.15 -0.81 2.29 2.07 -1.48 -0.72 116.25 118.44 1jtk h VAL 117 Ca -0.44 -0.32 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 31.15 1jtk h VAL 117 CO 0.59 0.17 0.51 -0.08 0.02 0.00 0.00 177.57 178.78 1jtk h GLU 118 N 0.94 1.09 0.00 1.57 4.57 -1.88 -2.23 114.58 118.64 1jtk h GLU 118 Ca 0.28 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.28 1jtk h GLU 118 Cb -0.06 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.28 1jtk h GLU 118 CO -0.08 0.75 -0.44 0.93 -1.18 0.00 0.00 179.01 178.99 1jtk h GLU 119 N 1.11 0.00 -0.38 1.92 5.08 -1.74 -0.43 114.58 120.14 1jtk h GLU 119 Ca 0.29 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1jtk h GLU 119 Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1jtk h GLU 119 CO -0.06 0.44 -0.02 1.25 -1.00 0.00 0.00 179.01 179.62 1jtk h LEU 120 N 0.00 0.59 -5.48 1.33 5.85 -0.53 -3.37 115.31 113.70 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 0.84 -0.15 -0.24 0.00 0.37 0.00 0.00 40.66 41.47 1jtk h LEU 120 CO 0.06 0.67 -0.71 -0.11 -0.34 0.00 0.00 178.44 178.01 1jtk n LEU 121 N -4.24 -2.03 -4.69 2.25 7.94 -1.13 -5.03 117.00 110.06 1jtk n LEU 121 Ca 0.02 -3.65 -0.44 0.00 -1.11 0.00 0.00 56.01 50.83 1jtk n LEU 121 Cb 0.28 0.71 -0.04 0.00 0.53 0.00 0.00 43.42 44.90 1jtk n LEU 121 CO 0.40 1.96 1.33 -2.65 -1.11 0.00 0.00 177.39 177.32 1jtk n PRO 122 N 2.33 2.50 -2.31 1.96 -0.02 -0.18 -2.20 135.00 137.08 1jtk n PRO 122 Ca 0.19 0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 62.44 1jtk n PRO 122 Cb 0.55 -2.73 -0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.83 -0.15 3.57 -1.23 0.00 -1.26 -4.95 105.19 105.00 1jtk n GLY 123 Ca 0.17 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.80 -0.21 -1.78 4.61 0.00 -0.93 -4.88 120.51 115.52 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 -1.37 2.85 0.33 0.00 5.36 -1.26 -4.97 117.98 118.92 1jtk s PHE 125 Ca 0.65 0.66 0.07 0.00 -0.96 0.00 0.00 56.93 57.35 1jtk s PHE 125 Cb -0.54 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.05 1jtk s PHE 125 CO 0.56 -3.70 0.26 -1.54 -1.46 0.00 0.00 175.22 169.33 1jtk s SER 126 N 0.74 1.73 0.42 6.13 1.04 -1.26 -4.98 113.70 117.52 1jtk s SER 126 Ca 0.67 -1.74 0.10 0.00 0.48 0.00 0.00 55.95 55.46 1jtk s SER 126 Cb -0.47 0.55 0.91 0.00 0.10 0.00 0.00 66.02 67.10 1jtk s SER 126 CO 0.41 -1.04 2.01 0.77 0.98 0.00 0.00 173.24 176.37 1jtk h SER 127 N 2.12 0.26 -0.16 7.02 4.64 -1.95 -1.17 113.55 124.32 1jtk h SER 127 Ca -0.26 -0.03 0.05 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 0.29 0.13 -0.33 -0.87 0.00 0.00 176.83 176.44 1jtk h GLU 128 N 0.29 0.00 0.00 4.77 3.07 -1.96 0.22 114.58 120.97 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 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1jtk h GLU 128 CO -0.00 0.00 -0.47 -0.44 -1.40 0.00 0.00 179.01 176.70 1jtk h ASP 129 N 0.00 0.00 1.11 1.42 3.32 -1.62 -3.06 116.42 117.60 1jtk h ASP 129 Ca 0.07 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 1jtk h ASP 129 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1jtk h ASP 129 CO -0.00 0.47 -0.91 -0.07 -1.72 0.00 0.00 179.24 177.01 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 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1jtk h LEU 130 CO 0.06 0.83 0.00 1.41 0.09 0.00 0.00 178.44 180.83