#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jut s LYS 2 N 0.00 2.92 0.66 1.97 1.02 -1.26 -5.04 119.74 120.01 3jut s LYS 2 Ca 0.00 1.49 -0.09 0.00 0.02 0.00 0.00 55.97 57.39 3jut s LYS 2 Cb 0.00 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 3jut s LYS 2 CO 0.00 -1.17 1.02 -1.25 -0.92 0.00 0.00 175.35 173.03 3jut s PRO 3 N -3.82 2.91 0.21 -1.68 0.05 -1.26 -4.93 135.00 126.47 3jut s PRO 3 Ca 0.69 0.29 0.08 0.00 0.05 0.00 0.00 61.00 62.12 3jut s PRO 3 Cb -0.22 -2.12 -0.05 0.00 0.05 0.00 0.00 34.50 32.16 3jut s PRO 3 CO 0.37 -0.88 -0.15 0.15 0.05 0.00 0.00 177.00 176.54 3jut s LYS 4 N -5.21 1.35 0.09 4.56 1.02 0.56 -4.23 119.74 117.89 3jut s LYS 4 Ca 0.56 -1.59 0.03 0.00 0.02 0.00 0.00 55.97 54.99 3jut s LYS 4 Cb -0.11 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 3jut s LYS 4 CO 0.49 0.20 0.11 -0.51 -0.92 0.00 0.00 175.35 174.73 3jut s LEU 5 N -3.28 3.90 -0.21 3.17 1.43 -0.38 -0.16 118.68 123.15 3jut s LEU 5 Ca 0.23 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3jut s LEU 5 Cb -0.02 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.64 3jut s LEU 5 CO 0.08 0.15 -0.07 -0.76 0.23 0.00 0.00 176.35 175.97 3jut s LEU 6 N -2.54 2.75 -0.17 1.79 1.43 -1.26 -1.02 118.68 119.66 3jut s LEU 6 Ca 0.31 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3jut s LEU 6 Cb -0.12 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3jut s LEU 6 CO 0.23 -0.01 -0.04 -0.47 0.23 0.00 0.00 176.35 176.29 3jut s TYR 7 N 1.42 2.99 -0.36 0.29 5.04 0.72 -1.39 117.35 126.06 3jut s TYR 7 Ca 0.05 -0.44 -0.13 0.00 -2.44 0.00 0.00 57.07 54.11 3jut s TYR 7 Cb -0.14 -1.98 -0.00 0.00 0.35 0.00 0.00 41.96 40.19 3jut s TYR 7 CO -0.05 -0.15 0.26 0.00 -1.34 0.00 0.00 175.55 174.27 3jut h SER 9 N 8.53 0.00 0.58 0.00 4.64 -1.75 -0.82 113.55 124.73 3jut h SER 9 Ca -0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 3jut h SER 9 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 3jut h SER 9 CO 0.67 0.00 -0.50 -1.13 -0.87 0.00 0.00 176.83 174.99 3jut h ASN 10 N 0.00 -1.35 -0.00 4.97 -1.24 -1.82 -3.33 115.58 112.81 3jut h ASN 10 Ca 0.23 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.34 3jut h ASN 10 Cb 1.21 0.43 0.00 0.00 0.73 0.00 0.00 38.32 40.70 3jut h ASN 10 CO -0.00 -0.69 -0.18 0.61 -1.29 0.00 0.00 177.43 175.87 3jut n GLY 11 N -1.58 -0.01 0.88 1.57 0.00 -1.24 -4.76 105.19 100.05 3jut n GLY 11 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3jut n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jut n GLY 12 N 0.87 1.25 3.85 -0.02 0.00 -0.33 -5.02 105.19 105.78 3jut n GLY 12 Ca 0.02 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3jut n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jut s HIS 13 N -2.03 3.39 0.21 1.61 3.76 -1.14 -4.44 115.29 116.64 3jut s HIS 13 Ca 0.00 0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 54.85 3jut s HIS 13 Cb 0.00 -1.73 -0.09 0.00 1.11 0.00 0.00 32.58 31.87 3jut s HIS 13 CO 0.00 0.58 0.88 -0.06 -0.85 0.00 0.00 174.74 175.29 3jut s PHE 14 N -1.36 3.95 0.24 1.40 0.08 0.20 -0.39 117.98 122.10 3jut s PHE 14 Ca 0.29 1.81 -0.30 0.00 0.12 0.00 0.00 56.93 58.85 3jut s PHE 14 Cb -0.12 -2.91 -0.09 0.00 -0.57 0.00 0.00 43.02 39.33 3jut s PHE 14 CO 0.21 0.47 1.30 -1.17 -0.10 0.00 0.00 175.22 175.93 3jut s LEU 15 N -1.12 4.43 -0.03 -0.37 2.96 -0.49 -1.04 118.68 123.02 3jut s LEU 15 Ca 0.39 2.47 0.02 0.00 -0.22 0.00 0.00 54.13 56.79 3jut s LEU 15 Cb -0.25 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.83 3jut s LEU 15 CO 0.30 -0.51 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.16 3jut s ARG 16 N -0.60 0.74 -0.31 1.98 3.52 -0.53 -4.39 118.95 119.37 3jut s ARG 16 Ca 0.54 -0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 55.96 3jut s ARG 16 Cb -0.37 -0.73 0.06 0.00 -1.56 0.00 0.00 34.95 32.34 3jut s ARG 16 CO 0.42 0.01 0.01 0.42 -0.81 0.00 0.00 175.30 175.35 3jut s ILE 17 N 0.49 2.92 0.60 4.11 1.01 -0.93 -2.36 121.20 127.04 3jut s ILE 17 Ca -0.07 -1.50 -0.14 0.00 0.00 0.00 0.00 60.65 58.94 3jut s ILE 17 Cb -0.10 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3jut s ILE 17 CO 0.00 -0.17 1.03 -0.76 0.00 0.00 0.00 174.94 175.05 3jut s LEU 18 N 1.22 3.41 0.61 2.97 1.43 0.11 -4.82 118.68 123.60 3jut s LEU 18 Ca -0.04 1.64 0.26 0.00 -1.03 0.00 0.00 54.13 54.96 3jut s LEU 18 Cb -0.20 -4.51 1.24 0.00 0.03 0.00 0.00 46.19 42.76 3jut s LEU 18 CO -0.02 -1.02 1.67 -0.65 0.23 0.00 0.00 176.35 176.57 3jut h PRO 19 N 0.18 0.00 -0.31 1.29 0.11 -1.98 -0.83 132.00 130.47 3jut h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jut h PRO 19 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3jut h PRO 19 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3jut n ASP 20 N -3.36 2.52 0.00 -2.05 5.75 -1.26 -4.90 116.55 113.25 3jut n ASP 20 Ca 0.10 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 3jut n ASP 20 Cb 0.88 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 3jut n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jut n GLY 21 N 1.30 0.79 3.66 6.12 0.00 -0.32 -4.94 105.19 111.80 3jut n GLY 21 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3jut n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jut s THR 22 N -3.00 3.94 -0.19 2.61 2.01 -1.24 -0.69 115.64 119.09 3jut s THR 22 Ca 0.00 1.16 -0.12 0.00 0.31 0.00 0.00 61.69 63.04 3jut s THR 22 Cb 0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 3jut s THR 22 CO 0.00 -0.09 0.20 -0.69 -0.69 0.00 0.00 174.62 173.35 3jut s VAL 23 N 3.58 5.36 0.00 3.82 1.01 -1.26 0.08 120.40 132.99 3jut s VAL 23 Ca 0.63 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3jut s VAL 23 Cb -0.27 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3jut s VAL 23 CO 0.22 0.41 0.00 -0.90 0.00 0.00 0.00 175.10 174.83 3jut n ASP 24 N 3.62 0.00 -4.29 3.32 5.75 -1.00 -4.35 116.55 119.60 3jut n ASP 24 Ca -0.14 -0.32 -0.16 0.00 -0.01 0.00 0.00 54.79 54.16 3jut n ASP 24 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3jut n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3jut s GLY 25 N -0.32 1.23 -0.03 6.12 0.00 0.11 -1.45 107.32 112.98 3jut s GLY 25 Ca 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 44.72 43.14 3jut s GLY 25 CO 0.00 -1.64 0.09 -1.08 0.00 0.00 0.00 173.10 170.47 3jut s THR 26 N -3.04 0.01 -0.65 0.90 -1.32 -0.20 -4.87 115.64 106.46 3jut s THR 26 Ca 0.18 -0.07 0.26 0.00 -1.21 0.00 0.00 61.69 60.85 3jut s THR 26 Cb 0.00 -0.16 0.28 0.00 -1.51 0.00 0.00 72.50 71.11 3jut s THR 26 CO 0.04 -0.04 1.76 0.03 -2.21 0.00 0.00 174.62 174.20 3jut h ARG 27 N 5.86 0.00 -6.28 7.08 3.08 -1.88 0.56 114.38 122.80 3jut h ARG 27 Ca -0.25 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.23 3jut h ARG 27 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3jut h ARG 27 CO 0.44 0.00 1.18 0.34 -1.07 0.00 0.00 179.97 180.87 3jut s ASP 28 N -4.56 6.22 0.12 7.04 -1.08 -1.26 -4.88 116.67 118.27 3jut s ASP 28 Ca 0.09 1.56 0.27 0.00 -0.52 0.00 0.00 52.55 53.95 3jut s ASP 28 Cb 0.11 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 40.03 3jut s ASP 28 CO 0.55 -1.40 1.82 -1.14 0.52 0.00 0.00 175.17 175.53 3jut n ARG 29 N 7.90 0.15 -0.00 4.34 0.63 -1.26 -3.03 116.66 125.39 3jut n ARG 29 Ca 0.20 0.14 0.14 0.00 -0.92 0.00 0.00 57.85 57.41 3jut n ARG 29 Cb 0.45 -1.68 0.64 0.00 0.45 0.00 0.00 32.46 32.33 3jut n ARG 29 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3jut n SER 30 N -1.93 1.04 -4.69 6.15 3.41 -1.26 -4.75 113.62 111.59 3jut n SER 30 Ca 0.06 -1.36 -0.42 0.00 -0.26 0.00 0.00 58.87 56.88 3jut n SER 30 Cb 0.38 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 3jut n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jut s ASP 31 N -1.97 6.73 0.50 4.04 3.68 -1.17 -4.91 116.67 123.58 3jut s ASP 31 Ca 0.40 2.27 0.34 0.00 2.13 0.00 0.00 52.55 57.69 3jut s ASP 31 Cb 0.21 -2.56 1.70 0.00 -1.45 0.00 0.00 42.92 40.82 3jut s ASP 31 CO 0.34 -0.81 2.02 1.56 0.13 0.00 0.00 175.17 178.41 3jut h GLN 32 N 8.21 0.00 -0.39 4.34 1.08 -1.92 -3.10 115.11 123.32 3jut h GLN 32 Ca -0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 3jut h GLN 32 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3jut h GLN 32 CO 0.92 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 179.52 3jut n HIS 33 N -2.76 0.50 1.07 2.96 8.25 -1.26 -3.97 115.22 120.01 3jut n HIS 33 Ca -0.01 -0.25 0.11 0.00 -0.26 0.00 0.00 57.72 57.31 3jut n HIS 33 Cb 0.13 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.34 3jut n HIS 33 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3jut n ILE 34 N 1.21 0.00 -2.49 1.59 -5.35 -1.17 -2.18 119.36 110.97 3jut n ILE 34 Ca 0.19 -0.15 -0.43 0.00 -0.27 0.00 0.00 62.75 62.09 3jut n ILE 34 Cb 0.53 0.88 -0.02 0.00 -1.74 0.00 0.00 39.64 39.29 3jut n ILE 34 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3jut s GLN 35 N -2.63 3.68 0.20 6.28 -0.21 -1.25 -4.49 119.66 121.24 3jut s GLN 35 Ca 0.17 0.78 0.07 0.00 0.02 0.00 0.00 55.36 56.40 3jut s GLN 35 Cb 0.18 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.20 3jut s GLN 35 CO 0.63 -1.43 0.11 -0.51 -2.12 0.00 0.00 175.29 171.97 3jut s LEU 36 N 4.84 3.64 -0.09 2.90 1.43 0.78 -1.50 118.68 130.67 3jut s LEU 36 Ca 0.54 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3jut s LEU 36 Cb -0.11 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.90 3jut s LEU 36 CO 0.31 0.03 -0.19 -1.58 0.23 0.00 0.00 176.35 175.16 3jut s GLN 37 N -3.35 2.49 -0.17 1.70 0.74 0.09 -0.32 119.66 120.83 3jut s GLN 37 Ca 0.31 -0.68 -0.08 0.00 0.05 0.00 0.00 55.36 54.96 3jut s GLN 37 Cb -0.09 -1.96 -0.04 0.00 1.10 0.00 0.00 33.01 32.02 3jut s GLN 37 CO 0.22 0.08 0.09 -0.51 -0.55 0.00 0.00 175.29 174.63 3jut s LEU 38 N 0.57 4.02 -0.02 3.68 1.02 -1.26 -0.46 118.68 126.24 3jut s LEU 38 Ca -0.15 0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.19 3jut s LEU 38 Cb -0.17 -2.01 0.03 0.00 0.02 0.00 0.00 46.19 44.06 3jut s LEU 38 CO 0.05 0.22 0.02 -0.94 0.02 0.00 0.00 176.35 175.72 3jut s SER 39 N 0.11 0.09 -0.14 2.29 1.04 -0.69 -4.97 113.70 111.43 3jut s SER 39 Ca 0.07 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.33 3jut s SER 39 Cb -0.12 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 3jut s SER 39 CO -0.00 -0.11 0.58 0.00 0.98 0.00 0.00 173.24 174.68 3jut s ALA 40 N 0.97 3.47 0.21 5.32 0.00 -1.26 -0.98 121.76 129.50 3jut s ALA 40 Ca -0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 3jut s ALA 40 Cb -0.12 -2.83 0.27 0.00 0.00 0.00 0.00 23.12 20.45 3jut s ALA 40 CO -0.03 -0.24 1.66 1.49 0.00 0.00 0.00 175.76 178.65 3jut h GLU 41 N 7.04 0.09 0.00 0.00 4.57 -1.85 -3.47 114.58 120.97 3jut h GLU 41 Ca -0.37 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3jut h GLU 41 Cb 1.17 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3jut h GLU 41 CO 0.76 0.06 0.00 0.43 -1.18 0.00 0.00 179.01 179.08 3jut n SER 42 N -5.30 0.00 -4.67 1.04 7.64 -1.26 -5.13 113.62 105.94 3jut n SER 42 Ca 0.08 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 3jut n SER 42 Cb 0.34 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 3jut n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3jut s VAL 43 N 0.00 3.60 0.00 0.44 0.11 -1.26 -2.74 120.40 120.55 3jut s VAL 43 Ca 0.00 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 3jut s VAL 43 Cb 0.00 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 3jut s VAL 43 CO 0.00 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 3jut n GLY 44 N 4.02 2.06 3.57 6.54 0.00 -1.26 -5.04 105.19 115.08 3jut n GLY 44 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3jut n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jut s GLU 45 N -0.64 2.47 0.04 1.61 2.02 -1.11 -0.74 118.70 122.36 3jut s GLU 45 Ca 0.00 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.25 3jut s GLU 45 Cb 0.00 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 3jut s GLU 45 CO 0.00 0.59 -0.07 0.14 0.02 0.00 0.00 175.26 175.94 3jut s VAL 46 N -0.98 0.50 -0.09 2.63 -7.23 0.86 -2.50 120.40 113.58 3jut s VAL 46 Ca 0.17 -1.08 -0.08 0.00 -1.81 0.00 0.00 61.98 59.18 3jut s VAL 46 Cb -0.11 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 3jut s VAL 46 CO 0.07 -0.40 0.18 -0.31 -0.31 0.00 0.00 175.10 174.33 3jut s TYR 47 N -1.42 3.61 -0.47 2.82 2.02 -0.15 -1.73 117.35 122.04 3jut s TYR 47 Ca -0.10 0.59 -0.07 0.00 -0.37 0.00 0.00 57.07 57.12 3jut s TYR 47 Cb -0.10 -1.98 0.12 0.00 -0.40 0.00 0.00 41.96 39.60 3jut s TYR 47 CO 0.00 0.72 0.31 0.42 -1.57 0.00 0.00 175.55 175.43 3jut s ILE 48 N -1.06 3.89 -0.03 2.71 1.01 -1.26 -1.71 121.20 124.75 3jut s ILE 48 Ca 0.17 -1.98 -0.01 0.00 0.00 0.00 0.00 60.65 58.84 3jut s ILE 48 Cb -0.13 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3jut s ILE 48 CO 0.06 -0.76 0.04 -0.75 0.00 0.00 0.00 174.94 173.53 3jut s LYS 49 N 1.16 2.98 0.23 2.79 2.20 0.40 -0.61 119.74 128.89 3jut s LYS 49 Ca 0.08 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 3jut s LYS 49 Cb -0.24 -2.80 -0.09 0.00 -1.51 0.00 0.00 37.83 33.18 3jut s LYS 49 CO -0.02 0.66 1.29 0.45 -0.36 0.00 0.00 175.35 177.37 3jut s SER 50 N -1.40 6.91 0.26 1.43 0.15 0.61 -0.73 113.70 120.93 3jut s SER 50 Ca 0.19 2.44 0.17 0.00 0.70 0.00 0.00 55.95 59.45 3jut s SER 50 Cb -0.12 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.64 3jut s SER 50 CO 0.09 -0.49 1.32 0.71 1.20 0.00 0.00 173.24 176.08 3jut h THR 51 N 3.54 0.59 -0.02 6.45 1.35 -1.59 -2.15 112.91 121.07 3jut h THR 51 Ca -0.46 -1.89 -0.02 0.00 -0.55 0.00 0.00 66.41 63.49 3jut h THR 51 Cb 1.22 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 3jut h THR 51 CO 0.74 0.34 -0.07 -0.08 -0.25 0.00 0.00 175.52 176.19 3jut h GLU 52 N 0.00 0.09 0.00 4.72 4.57 -1.80 -3.42 114.58 118.74 3jut h GLU 52 Ca -0.03 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 57.93 3jut h GLU 52 Cb 1.33 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.90 3jut h GLU 52 CO 0.05 0.70 -1.69 0.25 -1.18 0.00 0.00 179.01 177.13 3jut n THR 53 N -4.70 0.56 -0.42 0.32 -2.24 -1.26 -5.01 114.28 101.54 3jut n THR 53 Ca -0.09 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3jut n THR 53 Cb 0.36 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3jut n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jut n GLY 54 N 2.22 0.88 3.77 3.38 0.00 -0.81 -5.02 105.19 109.60 3jut n GLY 54 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3jut n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jut s GLN 55 N -0.50 3.59 -0.17 1.61 -0.21 -1.26 -4.73 119.66 117.98 3jut s GLN 55 Ca 0.00 1.70 -0.04 0.00 0.02 0.00 0.00 55.36 57.03 3jut s GLN 55 Cb 0.00 -2.23 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 3jut s GLN 55 CO 0.00 -0.67 -0.02 0.71 -2.12 0.00 0.00 175.29 173.19 3jut s TYR 56 N -1.65 3.04 0.24 0.91 1.51 0.64 -0.28 117.35 121.76 3jut s TYR 56 Ca 0.68 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 56.09 3jut s TYR 56 Cb -0.26 -2.01 -0.14 0.00 -0.11 0.00 0.00 41.96 39.44 3jut s TYR 56 CO 0.31 -0.10 1.24 -0.11 -1.11 0.00 0.00 175.55 175.78 3jut n LEU 57 N 3.78 2.42 -3.90 -1.29 7.94 0.22 -1.08 117.00 125.09 3jut n LEU 57 Ca -0.17 1.16 -0.09 0.00 -1.11 0.00 0.00 56.01 55.79 3jut n LEU 57 Cb 0.52 -1.34 -0.07 0.00 0.53 0.00 0.00 43.42 43.06 3jut n LEU 57 CO 0.33 -0.91 -0.06 0.00 -1.11 0.00 0.00 177.39 175.63 3jut s ALA 58 N -0.42 -0.13 -0.11 1.96 0.00 -0.08 -4.32 121.76 118.65 3jut s ALA 58 Ca 0.66 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.90 3jut s ALA 58 Cb -0.71 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3jut s ALA 58 CO 0.54 -0.57 -0.13 1.41 0.00 0.00 0.00 175.76 177.01 3jut s MET 59 N -3.91 2.00 0.86 0.00 1.75 -0.55 -0.95 119.30 118.51 3jut s MET 59 Ca 0.10 -0.47 -0.12 0.00 -1.25 0.00 0.00 55.69 53.96 3jut s MET 59 Cb 0.04 -1.80 0.14 0.00 2.84 0.00 0.00 34.83 36.06 3jut s MET 59 CO -0.06 -0.13 1.20 0.16 -0.65 0.00 0.00 175.02 175.53 3jut s ASP 60 N 1.21 3.83 0.00 1.11 1.47 0.38 -4.82 116.67 119.85 3jut s ASP 60 Ca -0.03 0.32 0.08 0.00 1.18 0.00 0.00 52.55 54.11 3jut s ASP 60 Cb -0.14 -0.59 0.36 0.00 -0.34 0.00 0.00 42.92 42.20 3jut s ASP 60 CO -0.04 -2.27 1.25 0.35 0.68 0.00 0.00 175.17 175.13 3jut n THR 61 N -3.42 1.36 1.10 2.11 -2.24 -1.26 -0.45 114.28 111.48 3jut n THR 61 Ca 0.13 0.34 0.12 0.00 -2.27 0.00 0.00 64.05 62.36 3jut n THR 61 Cb 0.60 -1.20 0.16 0.00 -2.10 0.00 0.00 70.33 67.79 3jut n THR 61 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jut n ASP 62 N -1.47 1.41 0.00 3.42 8.00 -1.26 -4.96 116.55 121.68 3jut n ASP 62 Ca 0.02 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3jut n ASP 62 Cb 0.09 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3jut n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jut n GLY 63 N 1.40 0.83 3.83 0.44 0.00 0.40 -4.63 105.19 107.47 3jut n GLY 63 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3jut n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jut s LEU 64 N 0.00 4.47 0.36 0.99 0.20 -1.26 0.62 118.68 124.06 3jut s LEU 64 Ca 0.00 1.01 -0.26 0.00 0.69 0.00 0.00 54.13 55.58 3jut s LEU 64 Cb 0.00 -2.69 -0.09 0.00 -0.43 0.00 0.00 46.19 42.98 3jut s LEU 64 CO 0.00 0.30 1.03 -0.76 -0.29 0.00 0.00 176.35 176.63 3jut s LEU 65 N -1.17 4.27 0.22 -0.68 1.43 -1.26 -0.47 118.68 121.02 3jut s LEU 65 Ca 0.26 2.02 -0.15 0.00 -1.03 0.00 0.00 54.13 55.23 3jut s LEU 65 Cb -0.17 -4.04 0.01 0.00 0.03 0.00 0.00 46.19 42.03 3jut s LEU 65 CO 0.15 -0.30 0.50 -0.72 0.23 0.00 0.00 176.35 176.20 3jut s TYR 66 N -1.56 0.12 -0.25 0.29 -0.85 -0.12 -4.48 117.35 110.50 3jut s TYR 66 Ca 0.53 -0.49 -0.10 0.00 -0.52 0.00 0.00 57.07 56.50 3jut s TYR 66 Cb -0.23 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 3jut s TYR 66 CO 0.29 -0.95 0.14 0.20 -1.52 0.00 0.00 175.55 173.70 3jut s GLY 67 N -2.94 1.90 -0.15 5.49 0.00 0.14 -0.90 107.32 110.86 3jut s GLY 67 Ca 0.15 -1.02 -0.07 0.00 0.00 0.00 0.00 44.72 43.78 3jut s GLY 67 CO 0.03 0.50 0.10 -0.45 0.00 0.00 0.00 173.10 173.28 3jut s SER 68 N 1.43 6.00 0.30 1.64 0.15 -0.25 -4.51 113.70 118.46 3jut s SER 68 Ca 0.07 0.28 0.14 0.00 0.70 0.00 0.00 55.95 57.13 3jut s SER 68 Cb -0.15 -1.96 0.38 0.00 -1.71 0.00 0.00 66.02 62.59 3jut s SER 68 CO 0.07 0.30 1.60 1.56 1.20 0.00 0.00 173.24 177.97 3jut h GLN 69 N 5.78 0.00 -6.71 5.44 4.20 -1.89 0.18 115.11 122.11 3jut h GLN 69 Ca -0.47 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.55 3jut h GLN 69 Cb 1.19 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.75 3jut h GLN 69 CO 0.64 0.55 -0.84 0.95 -0.67 0.00 0.00 178.83 179.47 3jut s THR 70 N -3.42 2.52 0.38 -0.54 -4.23 -1.26 -4.75 115.64 104.35 3jut s THR 70 Ca 0.00 -1.41 -0.26 0.00 -1.18 0.00 0.00 61.69 58.85 3jut s THR 70 Cb 0.11 -2.07 -0.09 0.00 1.34 0.00 0.00 72.50 71.79 3jut s THR 70 CO 0.74 0.26 1.20 -2.16 -0.54 0.00 0.00 174.62 174.11 3jut s PRO 71 N -1.63 4.12 0.33 3.99 0.04 -1.26 -4.84 135.00 135.75 3jut s PRO 71 Ca 0.14 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 3jut s PRO 71 Cb -0.10 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.67 3jut s PRO 71 CO 0.05 -0.29 0.46 0.27 0.04 0.00 0.00 177.00 177.53 3jut n ASN 72 N 0.25 -1.27 0.22 6.66 2.04 -1.26 -5.04 115.26 116.86 3jut n ASN 72 Ca 0.03 -2.75 0.17 0.00 -0.44 0.00 0.00 54.58 51.59 3jut n ASN 72 Cb 0.45 2.37 0.84 0.00 -2.53 0.00 0.00 39.78 40.91 3jut n ASN 72 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3jut h GLU 73 N 0.00 0.00 -0.00 -3.83 4.81 -1.99 -1.36 114.58 112.21 3jut h GLU 73 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3jut h GLU 73 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3jut h GLU 73 CO 0.34 0.00 -0.01 0.39 -0.73 0.00 0.00 179.01 179.00 3jut n GLU 74 N -3.82 0.69 0.00 1.92 1.02 -1.26 -3.71 120.64 115.47 3jut n GLU 74 Ca 0.01 -0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.23 3jut n GLU 74 Cb 0.29 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.35 3jut n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3jut s LEU 76 N -2.46 4.39 -0.01 0.00 1.02 -1.24 -4.50 118.68 115.88 3jut s LEU 76 Ca 0.21 0.95 0.04 0.00 0.02 0.00 0.00 54.13 55.35 3jut s LEU 76 Cb 0.19 -2.69 -0.01 0.00 0.02 0.00 0.00 46.19 43.69 3jut s LEU 76 CO 0.54 0.16 -0.14 -0.36 0.02 0.00 0.00 176.35 176.58 3jut s PHE 77 N -0.28 1.23 -0.22 0.29 0.08 -0.70 -1.54 117.98 116.84 3jut s PHE 77 Ca 0.26 -0.24 -0.23 0.00 0.12 0.00 0.00 56.93 56.84 3jut s PHE 77 Cb -0.16 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 3jut s PHE 77 CO 0.13 -0.02 0.76 -0.51 -0.10 0.00 0.00 175.22 175.48 3jut s LEU 78 N -0.36 4.11 -0.15 -0.37 1.43 0.34 -0.10 118.68 123.57 3jut s LEU 78 Ca 0.05 0.97 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 3jut s LEU 78 Cb -0.05 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 3jut s LEU 78 CO -0.00 -0.42 0.41 -0.70 0.23 0.00 0.00 176.35 175.86 3jut s GLU 79 N 2.47 4.28 0.04 1.70 2.12 0.09 -1.74 118.70 127.67 3jut s GLU 79 Ca 0.33 0.29 0.06 0.00 0.36 0.00 0.00 54.97 56.01 3jut s GLU 79 Cb -0.16 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3jut s GLU 79 CO 0.09 0.13 -0.16 1.03 -0.54 0.00 0.00 175.26 175.82 3jut s ARG 80 N 0.75 1.04 -0.38 4.30 1.81 -0.95 -4.89 118.95 120.63 3jut s ARG 80 Ca 0.22 -0.82 -0.16 0.00 -1.72 0.00 0.00 55.73 53.25 3jut s ARG 80 Cb -0.14 -1.09 0.01 0.00 -0.45 0.00 0.00 34.95 33.28 3jut s ARG 80 CO 0.08 0.27 0.40 -1.17 -0.68 0.00 0.00 175.30 174.20 3jut s LEU 81 N -1.18 4.66 0.00 2.53 0.20 -1.26 -2.57 118.68 121.06 3jut s LEU 81 Ca 0.03 -0.45 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 3jut s LEU 81 Cb -0.08 -2.37 0.07 0.00 -0.43 0.00 0.00 46.19 43.38 3jut s LEU 81 CO 0.01 -0.46 0.46 -0.62 -0.29 0.00 0.00 176.35 175.45 3jut n GLU 82 N 5.50 0.04 -0.08 1.98 -0.58 0.03 -4.90 120.64 122.64 3jut n GLU 82 Ca -0.08 -1.03 0.02 0.00 -0.42 0.00 0.00 57.16 55.64 3jut n GLU 82 Cb 0.48 -0.37 0.33 0.00 -0.57 0.00 0.00 31.44 31.31 3jut n GLU 82 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3jut h GLU 83 N 0.00 0.70 -0.57 3.49 4.57 -1.99 -1.85 114.58 118.93 3jut h GLU 83 Ca -0.15 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3jut h GLU 83 Cb 0.50 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3jut h GLU 83 CO 0.14 0.52 0.00 -1.71 -1.18 0.00 0.00 179.01 176.77 3jut n ASN 84 N -4.41 3.08 -0.57 1.04 2.85 -1.26 -4.89 115.26 111.10 3jut n ASN 84 Ca 0.04 -2.23 -0.06 0.00 -0.11 0.00 0.00 54.58 52.22 3jut n ASN 84 Cb 0.10 -0.43 -0.02 0.00 1.24 0.00 0.00 39.78 40.67 3jut n ASN 84 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3jut n HIS 85 N 0.68 -0.13 -2.67 1.20 8.25 -0.69 -5.03 115.22 116.82 3jut n HIS 85 Ca 0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.30 3jut n HIS 85 Cb 0.57 -1.60 -0.05 0.00 1.12 0.00 0.00 29.99 30.03 3jut n HIS 85 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3jut s TYR 86 N -2.26 3.39 0.15 4.41 2.02 -1.26 -4.84 117.35 118.96 3jut s TYR 86 Ca 0.00 1.45 -0.09 0.00 -0.37 0.00 0.00 57.07 58.06 3jut s TYR 86 Cb 0.00 -2.75 -0.06 0.00 -0.40 0.00 0.00 41.96 38.75 3jut s TYR 86 CO 0.00 -0.20 0.46 -0.80 -1.57 0.00 0.00 175.55 173.44 3jut s ASN 87 N -2.68 6.62 0.15 2.29 0.01 0.12 -0.79 114.94 120.67 3jut s ASN 87 Ca 0.59 0.82 0.06 0.00 -0.71 0.00 0.00 52.86 53.62 3jut s ASN 87 Cb -0.10 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 3jut s ASN 87 CO 0.23 0.06 -0.14 0.42 -1.51 0.00 0.00 177.10 176.16 3jut s THR 88 N -1.60 1.44 -0.09 1.60 -4.23 -1.06 0.76 115.64 112.46 3jut s THR 88 Ca 0.40 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3jut s THR 88 Cb -0.13 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.96 3jut s THR 88 CO 0.21 -0.54 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.36 3jut s TYR 89 N -2.66 1.31 -0.08 3.99 1.51 -1.26 -2.24 117.35 117.91 3jut s TYR 89 Ca 0.15 -0.56 -0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3jut s TYR 89 Cb -0.02 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 3jut s TYR 89 CO 0.04 -0.38 -0.05 0.96 -1.11 0.00 0.00 175.55 175.01 3jut s ILE 90 N 1.29 3.87 -0.07 2.71 -4.36 -0.71 -1.24 121.20 122.69 3jut s ILE 90 Ca -0.03 -0.41 -0.36 0.00 -0.26 0.00 0.00 60.65 59.58 3jut s ILE 90 Cb -0.14 -2.60 -0.14 0.00 1.25 0.00 0.00 42.46 40.83 3jut s ILE 90 CO -0.03 0.59 1.69 -0.24 0.24 0.00 0.00 174.94 177.19 3jut n SER 91 N 2.36 2.77 -0.08 4.36 2.88 -0.56 -0.51 113.62 124.85 3jut n SER 91 Ca -0.18 1.05 -0.12 0.00 -1.33 0.00 0.00 58.87 58.29 3jut n SER 91 Cb 0.53 -1.28 -0.05 0.00 -0.75 0.00 0.00 64.21 62.66 3jut n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3jut h LYS 92 N 7.23 0.46 -1.02 -1.46 3.64 -1.61 0.58 116.57 124.39 3jut h LYS 92 Ca -0.47 -0.17 0.25 0.00 -1.27 0.00 0.00 60.65 58.98 3jut h LYS 92 Cb 1.29 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.98 3jut h LYS 92 CO 0.91 0.68 0.63 -0.22 -2.27 0.00 0.00 179.45 179.18 3jut h LYS 93 N 0.20 0.50 -0.15 1.90 3.64 -1.78 -2.19 116.57 118.69 3jut h LYS 93 Ca 0.06 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3jut h LYS 93 Cb 0.51 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3jut h LYS 93 CO 0.02 0.33 -0.15 0.72 -2.27 0.00 0.00 179.45 178.11 3jut n HIS 94 N -4.74 0.50 -0.32 1.91 8.25 -1.15 -4.82 115.22 114.85 3jut n HIS 94 Ca 0.26 -1.27 0.08 0.00 -0.26 0.00 0.00 57.72 56.53 3jut n HIS 94 Cb 0.78 -0.31 0.25 0.00 1.12 0.00 0.00 29.99 31.83 3jut n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jut h ALA 95 N 0.89 1.39 0.00 -1.41 0.00 -0.20 -2.32 119.26 117.61 3jut h ALA 95 Ca 0.06 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3jut h ALA 95 Cb 1.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3jut h ALA 95 CO 0.16 -0.03 -0.16 1.05 0.00 0.00 0.00 179.25 180.26 3jut h GLU 96 N 0.71 0.00 0.00 0.00 9.09 -1.86 -0.86 114.58 121.66 3jut h GLU 96 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 3jut h GLU 96 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 3jut h GLU 96 CO -0.35 0.16 -0.21 1.63 0.05 0.00 0.00 179.01 180.29 3jut n LYS 97 N -3.26 0.22 -3.03 1.06 5.02 -0.91 -4.97 118.16 112.30 3jut n LYS 97 Ca 0.01 0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.30 3jut n LYS 97 Cb 0.44 -1.71 0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3jut n LYS 97 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3jut n ASN 98 N -2.06 -5.23 -4.60 4.39 4.13 -0.33 -4.98 115.26 106.59 3jut n ASN 98 Ca 0.05 -0.59 -0.42 0.00 1.68 0.00 0.00 54.58 55.30 3jut n ASN 98 Cb 0.41 -4.49 -0.05 0.00 -1.54 0.00 0.00 39.78 34.11 3jut n ASN 98 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3jut s TRP 99 N -3.33 3.16 0.16 3.10 0.52 -1.22 -4.76 118.94 116.57 3jut s TRP 99 Ca 0.32 0.62 0.03 0.00 0.02 0.00 0.00 56.10 57.09 3jut s TRP 99 Cb -0.04 -3.25 -0.03 0.00 -1.15 0.00 0.00 33.47 28.99 3jut s TRP 99 CO 0.63 -0.63 0.29 -0.06 0.02 0.00 0.00 176.95 177.19 3jut s PHE 100 N 2.94 3.47 0.09 -1.98 0.40 -1.26 -1.49 117.98 120.14 3jut s PHE 100 Ca 0.30 0.09 -0.31 0.00 -0.60 0.00 0.00 56.93 56.42 3jut s PHE 100 Cb -0.14 -1.65 -0.08 0.00 0.51 0.00 0.00 43.02 41.66 3jut s PHE 100 CO 0.14 0.51 1.53 0.08 0.70 0.00 0.00 175.22 178.18 3jut s VAL 101 N -1.77 3.11 0.02 -0.44 1.01 -0.37 -4.35 120.40 117.60 3jut s VAL 101 Ca 0.34 0.68 -0.18 0.00 0.00 0.00 0.00 61.98 62.82 3jut s VAL 101 Cb -0.11 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.87 3jut s VAL 101 CO 0.28 0.02 0.41 -0.83 0.00 0.00 0.00 175.10 174.98 3jut s GLY 102 N 1.71 -0.26 -0.09 4.51 0.00 -1.26 -4.46 107.32 107.46 3jut s GLY 102 Ca 0.69 0.42 0.03 0.00 0.00 0.00 0.00 44.72 45.86 3jut s GLY 102 CO 0.31 0.16 -0.20 1.08 0.00 0.00 0.00 173.10 174.45 3jut s LEU 103 N -1.71 1.94 1.26 0.66 1.43 -0.92 -0.72 118.68 120.62 3jut s LEU 103 Ca -0.08 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 3jut s LEU 103 Cb -0.02 -1.23 0.32 0.00 0.03 0.00 0.00 46.19 45.29 3jut s LEU 103 CO 0.01 0.11 0.97 0.29 0.23 0.00 0.00 176.35 177.96 3jut n LYS 104 N 3.68 -3.09 0.06 1.70 5.02 0.86 -4.58 118.16 121.81 3jut n LYS 104 Ca -0.20 -0.88 0.04 0.00 -2.02 0.00 0.00 58.31 55.24 3jut n LYS 104 Cb 0.52 -2.11 0.43 0.00 -0.02 0.00 0.00 35.03 33.86 3jut n LYS 104 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3jut h LYS 105 N -2.94 0.41 -0.72 1.97 1.57 -1.88 -2.25 116.57 112.73 3jut h LYS 105 Ca -0.60 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3jut h LYS 105 Cb 1.34 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3jut h LYS 105 CO 0.45 0.34 0.00 0.27 -0.57 0.00 0.00 179.45 179.94 3jut n ASN 106 N -4.42 1.35 -0.19 0.86 0.23 -1.26 -4.49 115.26 107.34 3jut n ASN 106 Ca 0.01 -2.09 -0.02 0.00 -0.53 0.00 0.00 54.58 51.95 3jut n ASN 106 Cb 0.13 -0.41 -0.01 0.00 -2.08 0.00 0.00 39.78 37.41 3jut n ASN 106 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jut n GLY 107 N 0.23 0.42 3.93 4.83 0.00 -0.85 -4.95 105.19 108.81 3jut n GLY 107 Ca 0.04 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 3jut n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jut s SER 108 N -2.16 6.37 0.18 1.61 1.04 -1.26 0.06 113.70 119.54 3jut s SER 108 Ca 0.00 0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.53 3jut s SER 108 Cb 0.00 -2.01 -0.09 0.00 0.10 0.00 0.00 66.02 64.02 3jut s SER 108 CO 0.00 -0.09 1.35 0.00 0.98 0.00 0.00 173.24 175.48 3jut s LYS 110 N 0.23 3.38 0.02 0.00 1.02 0.10 -4.73 119.74 119.76 3jut s LYS 110 Ca 0.59 1.43 -0.16 0.00 0.02 0.00 0.00 55.97 57.85 3jut s LYS 110 Cb -0.37 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 34.85 3jut s LYS 110 CO 0.36 -0.79 0.46 1.03 -0.92 0.00 0.00 175.35 175.49 3jut s ARG 111 N -3.55 4.00 0.07 1.68 0.52 -1.26 -4.57 118.95 115.84 3jut s ARG 111 Ca 0.69 0.51 -0.14 0.00 -0.52 0.00 0.00 55.73 56.27 3jut s ARG 111 Cb -0.20 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 3jut s ARG 111 CO 0.29 0.68 0.98 0.41 0.02 0.00 0.00 175.30 177.68 3jut n GLY 112 N 1.79 -2.09 0.12 -3.53 0.00 0.20 -1.05 105.19 100.64 3jut n GLY 112 Ca -0.13 0.70 0.09 0.00 0.00 0.00 0.00 46.02 46.68 3jut n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jut n PRO 113 N -4.04 0.12 0.00 1.61 -0.04 -1.26 -1.18 135.00 130.21 3jut n PRO 113 Ca 0.01 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 3jut n PRO 113 Cb 0.11 -1.85 0.17 0.00 -0.04 0.00 0.00 33.50 31.90 3jut n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3jut n ARG 114 N -2.09 0.81 -2.05 0.54 5.12 -0.21 -4.95 116.66 113.83 3jut n ARG 114 Ca -0.01 -0.59 -0.32 0.00 -1.93 0.00 0.00 57.85 55.01 3jut n ARG 114 Cb 0.06 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 3jut n ARG 114 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3jut s THR 115 N -2.59 4.34 0.04 0.55 -4.23 -0.32 -4.94 115.64 108.48 3jut s THR 115 Ca 0.19 0.96 -0.27 0.00 -1.18 0.00 0.00 61.69 61.39 3jut s THR 115 Cb 0.18 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.47 3jut s THR 115 CO 0.59 -0.79 0.71 -1.38 -0.54 0.00 0.00 174.62 173.21 3jut s HIS 116 N -2.80 -0.53 0.11 3.99 -3.43 -1.26 -4.86 115.29 106.52 3jut s HIS 116 Ca 0.59 0.57 -0.35 0.00 -0.80 0.00 0.00 55.06 55.07 3jut s HIS 116 Cb -0.12 0.50 -0.17 0.00 -1.43 0.00 0.00 32.58 31.36 3jut s HIS 116 CO 0.42 -0.68 1.04 0.66 -2.00 0.00 0.00 174.74 174.19 3jut n TYR 117 N 0.13 0.80 -0.70 0.38 4.02 -1.26 -2.60 117.16 117.93 3jut n TYR 117 Ca -0.16 0.85 0.00 0.00 -0.01 0.00 0.00 57.90 58.58 3jut n TYR 117 Cb 0.61 -2.17 0.00 0.00 -0.02 0.00 0.00 39.34 37.77 3jut n TYR 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3jut n GLY 118 N 1.90 0.76 3.74 2.72 0.00 -1.26 -5.05 105.19 108.00 3jut n GLY 118 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3jut n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jut s GLN 119 N -0.30 4.71 0.57 1.61 -0.21 -1.07 -4.92 119.66 120.04 3jut s GLN 119 Ca 0.00 1.42 0.34 0.00 0.02 0.00 0.00 55.36 57.13 3jut s GLN 119 Cb 0.00 -3.35 1.70 0.00 1.00 0.00 0.00 33.01 32.35 3jut s GLN 119 CO 0.00 0.29 2.13 -0.22 -2.12 0.00 0.00 175.29 175.37 3jut h LYS 120 N 5.28 0.00 0.00 2.91 3.64 -1.96 -2.50 116.57 123.93 3jut h LYS 120 Ca -0.43 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 3jut h LYS 120 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3jut h LYS 120 CO 0.71 0.05 -0.18 0.00 -2.27 0.00 0.00 179.45 177.76 3jut h ALA 121 N 1.95 1.04 -0.11 5.00 0.00 -1.91 -3.10 119.26 122.12 3jut h ALA 121 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3jut h ALA 121 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3jut h ALA 121 CO 0.01 0.23 0.00 0.44 0.00 0.00 0.00 179.25 179.93 3jut n ILE 122 N -3.37 0.12 -3.41 0.00 -5.35 -0.94 -2.15 119.36 104.26 3jut n ILE 122 Ca 0.00 -0.46 -0.41 0.00 -0.27 0.00 0.00 62.75 61.61 3jut n ILE 122 Cb 0.40 1.01 -0.09 0.00 -1.74 0.00 0.00 39.64 39.21 3jut n ILE 122 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3jut s LEU 123 N -1.85 4.51 -0.02 7.28 1.43 -1.18 -4.30 118.68 124.56 3jut s LEU 123 Ca 0.33 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 3jut s LEU 123 Cb 0.20 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3jut s LEU 123 CO 0.31 -0.36 -0.17 -0.36 0.23 0.00 0.00 176.35 176.00 3jut s PHE 124 N 1.99 2.60 -0.28 0.29 0.40 0.23 -3.01 117.98 120.19 3jut s PHE 124 Ca 0.11 -0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 3jut s PHE 124 Cb -0.17 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 41.83 3jut s PHE 124 CO 0.12 0.17 0.00 -1.17 0.70 0.00 0.00 175.22 175.04 3jut s LEU 125 N -0.92 3.60 0.02 -0.37 2.96 -0.00 0.10 118.68 124.07 3jut s LEU 125 Ca 0.12 -0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 52.81 3jut s LEU 125 Cb -0.10 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 3jut s LEU 125 CO 0.02 -0.19 1.30 -2.16 -1.32 0.00 0.00 176.35 174.00 3jut s PRO 126 N 1.37 4.34 0.20 0.98 0.04 -1.26 -0.20 135.00 140.47 3jut s PRO 126 Ca -0.00 1.87 0.09 0.00 0.04 0.00 0.00 61.00 62.99 3jut s PRO 126 Cb -0.18 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 3jut s PRO 126 CO -0.01 -0.45 -0.18 -0.51 0.04 0.00 0.00 177.00 175.89 3jut s LEU 127 N 1.83 2.49 0.64 -3.56 1.43 -0.19 -4.93 118.68 116.39 3jut s LEU 127 Ca 0.61 -0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3jut s LEU 127 Cb -0.30 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3jut s LEU 127 CO 0.27 -0.04 1.18 -2.84 0.23 0.00 0.00 176.35 175.15 3jut s PRO 128 N -3.12 2.76 -0.21 1.29 0.02 -1.26 -1.26 135.00 133.23 3jut s PRO 128 Ca 0.20 1.71 -0.29 0.00 0.02 0.00 0.00 61.00 62.64 3jut s PRO 128 Cb -0.05 -1.92 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 3jut s PRO 128 CO 0.08 -1.34 1.17 0.54 -0.33 0.00 0.00 177.00 177.13 3jut s VAL 129 N -1.85 4.43 0.00 3.83 0.11 -1.26 -4.65 120.40 121.01 3jut s VAL 129 Ca 0.74 1.72 0.00 0.00 -2.93 0.00 0.00 61.98 61.51 3jut s VAL 129 Cb -0.28 -4.14 0.00 0.00 -1.53 0.00 0.00 36.38 30.43 3jut s VAL 129 CO 0.37 -0.19 0.00 -0.24 -3.33 0.00 0.00 175.10 171.71