#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 1.34 0.42 1.97 2.36 -1.26 -5.12 119.74 119.45 3jut s LYS 2 Ca 0.00 -0.93 -0.25 0.00 -2.55 0.00 0.00 55.97 52.24 3jut s LYS 2 Cb 0.00 -2.47 -0.10 0.00 -1.05 0.00 0.00 37.83 34.21 3jut s LYS 2 CO 0.00 -0.66 1.20 -0.35 1.55 0.00 0.00 175.35 177.09 3jut n PRO 3 N 4.74 1.75 -4.17 4.03 -0.04 -1.26 -4.67 135.00 135.39 3jut n PRO 3 Ca -0.10 0.62 -0.13 0.00 -0.04 0.00 0.00 63.50 63.85 3jut n PRO 3 Cb 0.44 -2.28 -0.11 0.00 -0.04 0.00 0.00 33.50 31.52 3jut n PRO 3 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3jut s LYS 4 N -2.15 0.84 0.04 0.54 1.02 0.47 -1.87 119.74 118.63 3jut s LYS 4 Ca 0.62 -1.20 -0.08 0.00 0.02 0.00 0.00 55.97 55.33 3jut s LYS 4 Cb -0.53 -0.44 -0.05 0.00 -0.52 0.00 0.00 37.83 36.29 3jut s LYS 4 CO 0.58 0.05 0.33 -0.51 -0.92 0.00 0.00 175.35 174.88 3jut s LEU 5 N -2.59 4.36 -0.29 3.17 1.43 -0.61 -0.39 118.68 123.77 3jut s LEU 5 Ca 0.07 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 53.81 3jut s LEU 5 Cb -0.01 -2.80 0.04 0.00 0.03 0.00 0.00 46.19 43.45 3jut s LEU 5 CO -0.01 0.22 -0.01 -0.76 0.23 0.00 0.00 176.35 176.02 3jut s LEU 6 N -1.81 3.75 -0.23 1.79 1.43 -1.26 -0.69 118.68 121.66 3jut s LEU 6 Ca 0.30 -1.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.09 3jut s LEU 6 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3jut s LEU 6 CO 0.17 -0.23 0.27 -0.47 0.23 0.00 0.00 176.35 176.32 3jut s TYR 7 N 1.27 3.32 -0.30 0.29 5.04 -0.67 -1.45 117.35 124.85 3jut s TYR 7 Ca -0.04 0.37 -0.17 0.00 -2.44 0.00 0.00 57.07 54.79 3jut s TYR 7 Cb -0.19 -2.41 -0.02 0.00 0.35 0.00 0.00 41.96 39.69 3jut s TYR 7 CO -0.02 -0.02 0.46 0.00 -1.34 0.00 0.00 175.55 174.63 3jut h SER 9 N 8.26 0.00 -2.39 0.00 4.64 -1.78 -0.70 113.55 121.58 3jut h SER 9 Ca -0.29 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.50 3jut h SER 9 Cb 1.14 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.17 3jut h SER 9 CO 0.71 0.00 1.15 0.21 -0.87 0.00 0.00 176.83 178.03 3jut s ASN 10 N -6.73 5.93 0.00 4.97 2.47 -1.22 -3.86 114.94 116.50 3jut s ASN 10 Ca -0.05 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.18 3jut s ASN 10 Cb 0.18 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 3jut s ASN 10 CO 0.69 -1.94 0.00 0.61 -3.72 0.00 0.00 177.10 172.74 3jut n GLY 11 N 5.43 2.80 1.13 1.21 0.00 -1.26 -4.30 105.19 110.20 3jut n GLY 11 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.64 3.46 -0.02 0.00 -0.35 -5.00 105.19 103.92 3jut n GLY 12 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.92 2.62 -0.11 1.61 3.76 -0.70 -4.65 115.29 114.90 3jut s HIS 13 Ca 0.00 -0.21 -0.23 0.00 -0.15 0.00 0.00 55.06 54.47 3jut s HIS 13 Cb 0.00 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 3jut s HIS 13 CO 0.00 0.20 0.69 -0.06 -0.85 0.00 0.00 174.74 174.72 3jut s PHE 14 N -0.81 3.51 0.10 1.40 0.08 0.01 0.00 117.98 122.28 3jut s PHE 14 Ca 0.13 1.16 -0.32 0.00 0.12 0.00 0.00 56.93 58.02 3jut s PHE 14 Cb -0.11 -2.81 -0.11 0.00 -0.57 0.00 0.00 43.02 39.42 3jut s PHE 14 CO 0.03 -0.00 1.82 -0.11 -0.10 0.00 0.00 175.22 176.86 3jut n LEU 15 N 4.22 3.88 -4.21 -0.37 7.94 -0.53 -0.93 117.00 127.00 3jut n LEU 15 Ca -0.01 0.99 -0.27 0.00 -1.11 0.00 0.00 56.01 55.61 3jut n LEU 15 Cb 0.51 -1.51 -0.16 0.00 0.53 0.00 0.00 43.42 42.79 3jut n LEU 15 CO 0.46 0.10 -0.53 -0.60 -1.11 0.00 0.00 177.39 175.72 3jut s ARG 16 N 2.75 1.72 -0.32 1.96 3.52 0.14 -4.48 118.95 124.23 3jut s ARG 16 Ca 0.83 -0.74 -0.03 0.00 -0.13 0.00 0.00 55.73 55.67 3jut s ARG 16 Cb -0.52 -1.64 0.05 0.00 -1.56 0.00 0.00 34.95 31.28 3jut s ARG 16 CO 0.39 0.43 0.05 0.42 -0.81 0.00 0.00 175.30 175.77 3jut s ILE 17 N -0.43 3.19 0.62 4.11 1.01 -1.06 -1.36 121.20 127.27 3jut s ILE 17 Ca 0.07 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.18 3jut s ILE 17 Cb -0.08 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3jut s ILE 17 CO -0.00 -0.19 1.03 -0.76 0.00 0.00 0.00 174.94 175.02 3jut s LEU 18 N 1.27 3.30 0.31 2.97 1.43 0.21 -4.85 118.68 123.32 3jut s LEU 18 Ca -0.03 1.52 0.08 0.00 -1.03 0.00 0.00 54.13 54.67 3jut s LEU 18 Cb -0.20 -4.49 0.82 0.00 0.03 0.00 0.00 46.19 42.35 3jut s LEU 18 CO -0.01 -0.97 1.75 -0.65 0.23 0.00 0.00 176.35 176.70 3jut h PRO 19 N -0.14 0.65 -0.18 1.29 0.11 -2.00 -1.59 132.00 130.14 3jut h PRO 19 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jut h PRO 19 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3jut h PRO 19 CO 0.60 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 3jut n ASP 20 N -4.83 0.91 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.20 3jut n ASP 20 Ca 0.25 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3jut n ASP 20 Cb 0.67 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.75 0.62 3.76 6.12 0.00 -0.60 -4.96 105.19 110.88 3jut n GLY 21 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.25 3.61 -0.12 2.61 2.01 -1.25 -0.98 115.64 119.27 3jut s THR 22 Ca 0.00 1.61 0.01 0.00 0.31 0.00 0.00 61.69 63.61 3jut s THR 22 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 3jut s THR 22 CO 0.00 0.37 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.46 3jut s VAL 23 N -1.09 2.82 0.00 3.82 1.01 -1.26 0.66 120.40 126.37 3jut s VAL 23 Ca 0.44 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3jut s VAL 23 Cb -0.31 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3jut s VAL 23 CO 0.39 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 175.12 3jut n ASP 24 N 3.51 0.00 -4.13 3.32 5.75 -0.47 -4.08 116.55 120.45 3jut n ASP 24 Ca -0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.43 3jut n ASP 24 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.00 0.74 0.06 6.12 0.00 0.10 0.24 107.32 114.58 3jut s GLY 25 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3jut s GLY 25 CO 0.00 -0.93 -0.06 -1.08 0.00 0.00 0.00 173.10 171.03 3jut s THR 26 N -1.26 0.48 -0.73 0.90 -1.32 -0.10 -4.78 115.64 108.83 3jut s THR 26 Ca -0.04 -1.40 0.24 0.00 -1.21 0.00 0.00 61.69 59.28 3jut s THR 26 Cb -0.10 -0.98 0.02 0.00 -1.51 0.00 0.00 72.50 69.92 3jut s THR 26 CO 0.02 -0.62 1.31 0.54 -2.21 0.00 0.00 174.62 173.65 3jut n ARG 27 N 0.87 0.22 -2.13 7.08 1.74 -1.26 -0.81 116.66 122.36 3jut n ARG 27 Ca -0.19 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 3jut n ARG 27 Cb 0.57 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3jut n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jut s ASP 28 N -3.86 5.73 0.54 0.55 2.15 -1.26 -4.87 116.67 115.64 3jut s ASP 28 Ca 0.07 0.65 0.26 0.00 0.43 0.00 0.00 52.55 53.96 3jut s ASP 28 Cb 0.15 -2.53 1.54 0.00 -0.30 0.00 0.00 42.92 41.77 3jut s ASP 28 CO 0.72 -1.96 2.14 0.03 -0.17 0.00 0.00 175.17 175.94 3jut h ARG 29 N 13.13 0.00 -0.01 4.34 3.08 -2.01 -2.56 114.38 130.36 3jut h ARG 29 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3jut h ARG 29 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3jut h ARG 29 CO 1.14 0.08 -0.06 0.43 -1.07 0.00 0.00 179.97 180.49 3jut n SER 30 N -3.83 0.86 -4.70 7.04 7.64 -1.26 -4.88 113.62 114.48 3jut n SER 30 Ca -0.02 -1.09 -0.43 0.00 1.01 0.00 0.00 58.87 58.34 3jut n SER 30 Cb 0.17 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 3jut n SER 30 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3jut n ASP 31 N -0.45 3.93 0.00 6.43 2.03 -0.97 -4.92 116.55 122.61 3jut n ASP 31 Ca 0.18 1.04 0.09 0.00 0.52 0.00 0.00 54.79 56.62 3jut n ASP 31 Cb 0.28 -1.55 0.40 0.00 -0.72 0.00 0.00 41.12 39.53 3jut n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3jut n GLN 32 N 4.56 0.02 -0.22 -0.67 1.13 -1.26 -3.62 117.38 117.33 3jut n GLN 32 Ca 0.17 0.18 0.06 0.00 -1.94 0.00 0.00 57.00 55.47 3jut n GLN 32 Cb 0.35 -1.50 0.17 0.00 0.11 0.00 0.00 30.24 29.37 3jut n GLN 32 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3jut n HIS 33 N -1.48 0.54 0.63 1.08 8.25 -1.26 -4.38 115.22 118.60 3jut n HIS 33 Ca 0.05 -0.55 0.09 0.00 -0.26 0.00 0.00 57.72 57.05 3jut n HIS 33 Cb 0.21 -0.07 -0.12 0.00 1.12 0.00 0.00 29.99 31.13 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 0.39 0.00 -2.28 1.59 -5.35 -1.24 -2.56 119.36 109.92 3jut n ILE 34 Ca 0.13 -0.17 -0.43 0.00 -0.27 0.00 0.00 62.75 62.02 3jut n ILE 34 Cb 0.49 0.73 -0.02 0.00 -1.74 0.00 0.00 39.64 39.10 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 -2.94 3.55 0.09 6.28 1.11 -1.26 -4.47 119.66 122.01 3jut s GLN 35 Ca 0.03 1.06 0.07 0.00 0.01 0.00 0.00 55.36 56.53 3jut s GLN 35 Cb 0.14 -4.05 -0.04 0.00 -1.01 0.00 0.00 33.01 28.05 3jut s GLN 35 CO 0.78 -1.60 -0.13 -0.51 0.01 0.00 0.00 175.29 173.84 3jut s LEU 36 N 5.66 2.89 -0.20 2.90 1.43 0.48 -1.56 118.68 130.28 3jut s LEU 36 Ca 0.65 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3jut s LEU 36 Cb -0.16 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3jut s LEU 36 CO 0.32 0.20 -0.05 -1.58 0.23 0.00 0.00 176.35 175.48 3jut s GLN 37 N -1.99 3.45 -0.14 1.70 2.00 0.04 0.18 119.66 124.90 3jut s GLN 37 Ca 0.19 -0.60 -0.07 0.00 -2.00 0.00 0.00 55.36 52.87 3jut s GLN 37 Cb -0.11 -2.97 -0.04 0.00 0.80 0.00 0.00 33.01 30.69 3jut s GLN 37 CO 0.11 -0.06 0.12 -0.51 -0.50 0.00 0.00 175.29 174.44 3jut s LEU 38 N 1.14 4.21 0.07 3.68 1.02 -1.26 -1.53 118.68 126.01 3jut s LEU 38 Ca 0.02 0.34 0.03 0.00 0.02 0.00 0.00 54.13 54.54 3jut s LEU 38 Cb -0.15 -2.04 -0.03 0.00 0.02 0.00 0.00 46.19 43.99 3jut s LEU 38 CO -0.00 0.32 -0.10 -0.94 0.02 0.00 0.00 176.35 175.65 3jut s SER 39 N -0.52 1.23 -0.18 2.29 1.04 -0.81 -4.83 113.70 111.92 3jut s SER 39 Ca 0.12 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 3jut s SER 39 Cb -0.12 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 3jut s SER 39 CO 0.02 -0.20 -0.12 0.00 0.98 0.00 0.00 173.24 173.92 3jut s ALA 40 N -1.72 2.60 0.00 5.32 0.00 -1.26 -1.00 121.76 125.70 3jut s ALA 40 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3jut s ALA 40 Cb -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3jut s ALA 40 CO 0.01 -0.17 0.08 -1.91 0.00 0.00 0.00 175.76 173.76 3jut n GLU 41 N 4.31 0.00 -1.45 0.00 4.07 -0.50 -4.93 120.64 122.14 3jut n GLU 41 Ca -0.19 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 56.84 3jut n GLU 41 Cb 0.51 -0.40 0.03 0.00 -0.06 0.00 0.00 31.44 31.52 3jut n GLU 41 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3jut n SER 42 N -0.18 0.57 0.39 4.31 7.64 -1.26 -5.02 113.62 120.07 3jut n SER 42 Ca 0.00 -1.44 -0.19 0.00 1.01 0.00 0.00 58.87 58.25 3jut n SER 42 Cb 0.00 -0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 62.92 3jut n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3jut h VAL 43 N -0.23 0.02 -0.97 0.44 2.07 -2.03 -2.98 116.25 112.58 3jut h VAL 43 Ca -0.10 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 66.90 3jut h VAL 43 Cb 0.41 0.02 -0.30 0.00 -1.52 0.00 0.00 31.29 29.91 3jut h VAL 43 CO 0.12 0.00 0.66 0.61 0.02 0.00 0.00 177.57 178.98 3jut n GLY 44 N -1.61 4.53 3.28 2.17 0.00 -1.26 -4.88 105.19 107.43 3jut n GLY 44 Ca -0.14 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.23 3.23 0.12 1.61 2.02 -1.13 -0.24 118.70 121.08 3jut s GLU 45 Ca 0.56 -0.76 0.08 0.00 0.02 0.00 0.00 54.97 54.87 3jut s GLU 45 Cb 0.47 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 3jut s GLU 45 CO 0.10 0.11 -0.19 0.14 0.02 0.00 0.00 175.26 175.43 3jut s VAL 46 N 0.58 1.67 0.09 2.63 -7.23 -0.38 -1.41 120.40 116.35 3jut s VAL 46 Ca -0.10 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 3jut s VAL 46 Cb -0.16 -1.61 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3jut s VAL 46 CO 0.03 -0.19 0.43 -0.31 -0.31 0.00 0.00 175.10 174.76 3jut s TYR 47 N -1.56 3.59 -0.28 2.82 2.02 -0.17 -2.07 117.35 121.71 3jut s TYR 47 Ca 0.09 0.85 0.02 0.00 -0.37 0.00 0.00 57.07 57.66 3jut s TYR 47 Cb -0.08 -2.21 0.06 0.00 -0.40 0.00 0.00 41.96 39.33 3jut s TYR 47 CO 0.05 0.50 -0.07 0.42 -1.57 0.00 0.00 175.55 174.88 3jut s ILE 48 N -1.41 2.40 -0.06 2.71 1.01 -1.26 -1.93 121.20 122.66 3jut s ILE 48 Ca 0.34 -1.61 0.03 0.00 0.00 0.00 0.00 60.65 59.42 3jut s ILE 48 Cb -0.14 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3jut s ILE 48 CO 0.18 -0.08 -0.16 -0.75 0.00 0.00 0.00 174.94 174.13 3jut s LYS 49 N 1.13 2.64 -0.05 2.79 2.20 -0.58 -0.47 119.74 127.41 3jut s LYS 49 Ca -0.07 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 3jut s LYS 49 Cb -0.20 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 3jut s LYS 49 CO -0.04 0.52 1.28 0.45 -0.36 0.00 0.00 175.35 177.20 3jut s SER 50 N -0.47 6.97 0.39 1.43 0.15 0.07 -0.78 113.70 121.45 3jut s SER 50 Ca 0.06 1.91 0.18 0.00 0.70 0.00 0.00 55.95 58.80 3jut s SER 50 Cb -0.12 -2.56 0.77 0.00 -1.71 0.00 0.00 66.02 62.41 3jut s SER 50 CO 0.02 -0.65 1.79 0.71 1.20 0.00 0.00 173.24 176.31 3jut h THR 51 N 5.03 0.95 0.22 6.45 1.35 -1.63 0.12 112.91 125.41 3jut h THR 51 Ca -0.35 -1.38 -0.32 0.00 -0.55 0.00 0.00 66.41 63.81 3jut h THR 51 Cb 1.16 1.82 0.03 0.00 -1.73 0.00 0.00 68.15 69.43 3jut h THR 51 CO 0.90 0.35 -1.42 -0.08 -0.25 0.00 0.00 175.52 175.02 3jut h GLU 52 N 0.00 0.53 0.00 4.72 4.57 -1.80 -3.40 114.58 119.20 3jut h GLU 52 Ca -0.00 -0.86 -0.01 0.00 -1.18 0.00 0.00 59.36 57.30 3jut h GLU 52 Cb 0.79 0.32 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3jut h GLU 52 CO 0.05 1.41 -1.65 0.25 -1.18 0.00 0.00 179.01 177.89 3jut n THR 53 N -3.71 0.04 -1.04 0.32 -2.24 -1.21 -4.97 114.28 101.47 3jut n THR 53 Ca -0.15 -0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 61.29 3jut n THR 53 Cb 1.08 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.73 0.45 3.79 3.38 0.00 0.42 -5.01 105.19 109.96 3jut n GLY 54 Ca -0.03 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.01 3.90 -0.14 1.61 -0.21 -1.26 -4.77 119.66 117.78 3jut s GLN 55 Ca 0.00 1.43 -0.13 0.00 0.02 0.00 0.00 55.36 56.68 3jut s GLN 55 Cb 0.00 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.72 3jut s GLN 55 CO 0.00 -0.36 0.27 0.71 -2.12 0.00 0.00 175.29 173.79 3jut s TYR 56 N -1.86 3.51 0.01 0.91 1.51 0.12 -0.75 117.35 120.80 3jut s TYR 56 Ca 0.64 0.61 -0.38 0.00 -1.01 0.00 0.00 57.07 56.93 3jut s TYR 56 Cb -0.19 -2.26 -0.18 0.00 -0.11 0.00 0.00 41.96 39.22 3jut s TYR 56 CO 0.23 0.36 1.28 -0.11 -1.11 0.00 0.00 175.55 176.20 3jut n LEU 57 N 3.14 1.10 -3.82 -1.29 7.94 0.38 0.01 117.00 124.45 3jut n LEU 57 Ca -0.14 1.13 -0.10 0.00 -1.11 0.00 0.00 56.01 55.80 3jut n LEU 57 Cb 0.52 -1.08 -0.07 0.00 0.53 0.00 0.00 43.42 43.32 3jut n LEU 57 CO 0.38 -1.30 -0.06 0.00 -1.11 0.00 0.00 177.39 175.30 3jut s ALA 58 N 0.59 -0.39 -0.05 1.96 0.00 0.30 -4.35 121.76 119.83 3jut s ALA 58 Ca 0.88 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.52 3jut s ALA 58 Cb -1.09 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3jut s ALA 58 CO 0.53 -0.46 -0.23 1.41 0.00 0.00 0.00 175.76 177.01 3jut s MET 59 N -3.27 2.35 0.31 0.00 1.75 -0.96 -1.15 119.30 118.32 3jut s MET 59 Ca 0.00 -0.82 -0.02 0.00 -1.25 0.00 0.00 55.69 53.60 3jut s MET 59 Cb 0.02 -2.00 0.07 0.00 2.84 0.00 0.00 34.83 35.76 3jut s MET 59 CO -0.08 0.34 0.42 -0.40 -0.65 0.00 0.00 175.02 174.65 3jut n ASP 60 N 3.01 0.35 0.00 1.11 5.68 0.43 -4.82 116.55 122.30 3jut n ASP 60 Ca -0.18 -1.34 0.12 0.00 -0.50 0.00 0.00 54.79 52.89 3jut n ASP 60 Cb 0.52 -0.29 0.68 0.00 -1.14 0.00 0.00 41.12 40.89 3jut n ASP 60 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3jut n THR 61 N -2.20 0.11 -0.92 2.12 -2.24 -1.26 -1.49 114.28 108.40 3jut n THR 61 Ca 0.06 0.03 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 3jut n THR 61 Cb 0.22 -0.63 0.08 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.14 1.85 0.00 3.42 8.00 -1.26 -5.00 116.55 122.42 3jut n ASP 62 Ca 0.15 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 53.07 3jut n ASP 62 Cb 0.14 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.96 0.74 3.72 0.44 0.00 -0.55 -4.71 105.19 103.87 3jut n GLY 63 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3jut n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jut s LEU 64 N 0.00 4.44 0.10 0.99 1.43 -1.26 -0.43 118.68 123.95 3jut s LEU 64 Ca 0.00 1.80 -0.26 0.00 -1.03 0.00 0.00 54.13 54.64 3jut s LEU 64 Cb 0.00 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 3jut s LEU 64 CO 0.00 -0.20 0.80 -0.76 0.23 0.00 0.00 176.35 176.42 3jut s LEU 65 N 0.45 4.51 0.13 1.79 1.43 -1.26 -0.43 118.68 125.30 3jut s LEU 65 Ca 0.50 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 3jut s LEU 65 Cb -0.24 -3.31 0.01 0.00 0.03 0.00 0.00 46.19 42.68 3jut s LEU 65 CO 0.30 0.07 0.31 -0.72 0.23 0.00 0.00 176.35 176.53 3jut s TYR 66 N -0.42 0.09 -0.28 0.29 -0.85 -0.30 -4.53 117.35 111.36 3jut s TYR 66 Ca 0.39 -0.46 -0.19 0.00 -0.52 0.00 0.00 57.07 56.28 3jut s TYR 66 Cb -0.22 0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.18 3jut s TYR 66 CO 0.25 -0.67 0.58 0.20 -1.52 0.00 0.00 175.55 174.38 3jut s GLY 67 N -2.88 1.82 0.09 5.49 0.00 -0.15 -0.54 107.32 111.15 3jut s GLY 67 Ca 0.08 -0.59 -0.21 0.00 0.00 0.00 0.00 44.72 44.00 3jut s GLY 67 CO -0.07 1.35 0.62 -0.45 0.00 0.00 0.00 173.10 174.55 3jut s SER 68 N 1.56 7.13 0.09 1.64 0.15 0.10 -4.70 113.70 119.68 3jut s SER 68 Ca 0.23 1.34 0.26 0.00 0.70 0.00 0.00 55.95 58.48 3jut s SER 68 Cb -0.15 -2.39 0.64 0.00 -1.71 0.00 0.00 66.02 62.40 3jut s SER 68 CO 0.10 0.24 1.55 0.00 1.20 0.00 0.00 173.24 176.33 3jut n GLN 69 N 1.80 0.17 -4.17 5.44 6.02 -1.26 0.15 117.38 125.53 3jut n GLN 69 Ca -0.09 0.08 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 3jut n GLN 69 Cb 0.50 -1.64 -0.12 0.00 1.02 0.00 0.00 30.24 30.00 3jut n GLN 69 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3jut s THR 70 N -3.09 1.01 0.10 5.09 -4.23 -1.26 -4.85 115.64 108.42 3jut s THR 70 Ca 0.10 -1.23 -0.31 0.00 -1.18 0.00 0.00 61.69 59.06 3jut s THR 70 Cb 0.15 -0.99 -0.08 0.00 1.34 0.00 0.00 72.50 72.93 3jut s THR 70 CO 0.66 -0.23 1.37 -2.16 -0.54 0.00 0.00 174.62 173.71 3jut s PRO 71 N -1.65 4.33 0.07 3.99 0.04 -1.26 -4.83 135.00 135.70 3jut s PRO 71 Ca -0.03 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.04 3jut s PRO 71 Cb -0.10 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3jut s PRO 71 CO 0.02 -0.42 0.10 0.27 0.04 0.00 0.00 177.00 177.01 3jut n ASN 72 N 3.99 -0.26 0.29 6.66 2.04 -1.26 -5.04 115.26 121.67 3jut n ASN 72 Ca 0.11 -1.41 0.19 0.00 -0.44 0.00 0.00 54.58 53.04 3jut n ASN 72 Cb 0.43 0.50 0.89 0.00 -2.53 0.00 0.00 39.78 39.07 3jut n ASN 72 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3jut h GLU 73 N 0.00 0.00 -0.12 -3.83 4.11 -2.00 -2.88 114.58 109.86 3jut h GLU 73 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3jut h GLU 73 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3jut h GLU 73 CO 0.08 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.55 3jut n GLU 74 N -2.99 1.42 0.00 1.06 1.02 -1.26 -3.55 120.64 116.34 3jut n GLU 74 Ca -0.01 -0.64 0.08 0.00 -0.02 0.00 0.00 57.16 56.57 3jut n GLU 74 Cb 0.19 -1.29 0.06 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.48 4.24 -0.01 0.00 2.01 -1.23 -4.33 118.68 117.88 3jut s LEU 76 Ca 0.18 0.52 0.03 0.00 0.01 0.00 0.00 54.13 54.87 3jut s LEU 76 Cb 0.13 -2.39 -0.01 0.00 0.01 0.00 0.00 46.19 43.94 3jut s LEU 76 CO 0.24 0.09 -0.09 -0.36 1.01 0.00 0.00 176.35 177.24 3jut s PHE 77 N 0.51 0.78 -0.51 0.29 0.08 -0.88 -0.27 117.98 117.98 3jut s PHE 77 Ca 0.17 -0.15 -0.27 0.00 0.12 0.00 0.00 56.93 56.80 3jut s PHE 77 Cb -0.13 -0.50 0.03 0.00 -0.57 0.00 0.00 43.02 41.85 3jut s PHE 77 CO 0.04 -0.02 1.06 -0.51 -0.10 0.00 0.00 175.22 175.70 3jut s LEU 78 N -0.19 3.77 -0.17 -0.37 1.43 0.24 -1.25 118.68 122.15 3jut s LEU 78 Ca 0.03 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.02 3jut s LEU 78 Cb -0.04 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 3jut s LEU 78 CO -0.00 -1.25 0.91 -0.70 0.23 0.00 0.00 176.35 175.54 3jut s GLU 79 N 4.30 4.32 -0.09 1.70 2.12 0.66 -1.71 118.70 129.99 3jut s GLU 79 Ca 0.41 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 56.89 3jut s GLU 79 Cb -0.09 -3.58 0.03 0.00 0.26 0.00 0.00 34.13 30.75 3jut s GLU 79 CO 0.27 -0.39 -0.01 1.03 -0.54 0.00 0.00 175.26 175.62 3jut s ARG 80 N 2.33 0.85 0.07 4.30 1.81 -0.20 -4.80 118.95 123.30 3jut s ARG 80 Ca 0.42 -0.04 -0.31 0.00 -1.72 0.00 0.00 55.73 54.08 3jut s ARG 80 Cb -0.17 -1.25 -0.07 0.00 -0.45 0.00 0.00 34.95 33.01 3jut s ARG 80 CO 0.12 -0.33 1.46 -1.17 -0.68 0.00 0.00 175.30 174.71 3jut s LEU 81 N 1.89 4.35 0.34 2.53 0.20 -1.26 -0.33 118.68 126.41 3jut s LEU 81 Ca 0.04 2.32 0.03 0.00 0.69 0.00 0.00 54.13 57.21 3jut s LEU 81 Cb -0.13 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.04 3jut s LEU 81 CO -0.06 -0.74 0.52 -1.61 -0.29 0.00 0.00 176.35 174.17 3jut s GLU 82 N 1.83 3.29 0.64 1.98 0.41 0.11 -4.93 118.70 122.02 3jut s GLU 82 Ca 0.67 -0.63 0.26 0.00 -0.41 0.00 0.00 54.97 54.86 3jut s GLU 82 Cb -0.36 -2.73 1.39 0.00 -1.78 0.00 0.00 34.13 30.65 3jut s GLU 82 CO 0.30 0.09 1.80 1.05 -0.49 0.00 0.00 175.26 178.00 3jut h GLU 83 N 0.80 0.00 -0.11 1.61 -0.00 -1.95 0.40 114.58 115.32 3jut h GLU 83 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 3jut h GLU 83 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 3jut h GLU 83 CO 0.58 0.00 0.00 0.09 -0.00 0.00 0.00 179.01 179.68 3jut n ASN 84 N -3.13 2.52 0.00 3.06 4.13 -1.26 -5.01 115.26 115.57 3jut n ASN 84 Ca 0.03 -1.73 0.00 0.00 1.68 0.00 0.00 54.58 54.56 3jut n ASN 84 Cb 0.58 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3jut n ASN 84 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3jut n HIS 85 N 0.90 0.00 -2.62 3.10 8.25 0.14 -5.04 115.22 119.96 3jut n HIS 85 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 3jut n HIS 85 Cb 0.42 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 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 -2.95 3.50 0.05 4.41 2.02 -1.26 -4.80 117.35 118.32 3jut s TYR 86 Ca 0.00 1.10 0.03 0.00 -0.37 0.00 0.00 57.07 57.83 3jut s TYR 86 Cb 0.00 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3jut s TYR 86 CO 0.00 -0.25 0.02 -0.80 -1.57 0.00 0.00 175.55 172.95 3jut s ASN 87 N -3.44 5.20 0.08 2.29 0.01 0.15 -0.71 114.94 118.52 3jut s ASN 87 Ca 0.52 -0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.63 3jut s ASN 87 Cb -0.10 -1.33 -0.04 0.00 0.41 0.00 0.00 41.25 40.18 3jut s ASN 87 CO 0.36 0.22 0.14 0.42 -1.51 0.00 0.00 177.10 176.73 3jut s THR 88 N -1.24 4.91 -0.30 1.60 -4.23 0.55 -1.27 115.64 115.66 3jut s THR 88 Ca 0.24 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 3jut s THR 88 Cb -0.12 -3.39 0.09 0.00 1.34 0.00 0.00 72.50 70.42 3jut s THR 88 CO 0.16 0.11 0.02 -0.31 -0.54 0.00 0.00 174.62 174.06 3jut s TYR 89 N -1.47 2.89 -0.13 3.99 1.51 -1.26 -1.04 117.35 121.85 3jut s TYR 89 Ca 0.32 -2.32 -0.06 0.00 -1.01 0.00 0.00 57.07 53.99 3jut s TYR 89 Cb -0.12 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 3jut s TYR 89 CO 0.25 -0.88 0.09 -1.50 -1.11 0.00 0.00 175.55 172.40 3jut s ILE 90 N 1.21 5.07 -0.35 2.71 2.07 -0.69 0.46 121.20 131.68 3jut s ILE 90 Ca 0.04 0.05 -0.40 0.00 -1.41 0.00 0.00 60.65 58.93 3jut s ILE 90 Cb -0.19 -3.21 -0.15 0.00 0.13 0.00 0.00 42.46 39.04 3jut s ILE 90 CO -0.11 0.57 1.94 -0.24 -1.91 0.00 0.00 174.94 175.19 3jut n SER 91 N 2.43 1.96 -0.08 4.50 2.88 -0.21 0.83 113.62 125.91 3jut n SER 91 Ca -0.19 0.82 -0.09 0.00 -1.33 0.00 0.00 58.87 58.08 3jut n SER 91 Cb 0.54 -1.12 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 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 8.91 0.37 -0.88 -1.46 3.64 -0.95 0.69 116.57 126.89 3jut h LYS 92 Ca -0.34 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.14 3jut h LYS 92 Cb 1.34 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 3jut h LYS 92 CO 1.00 0.25 0.50 -0.22 -2.27 0.00 0.00 179.45 178.71 3jut h LYS 93 N 0.38 0.75 -0.28 1.90 3.64 -1.77 -2.87 116.57 118.33 3jut h LYS 93 Ca 0.11 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 3jut h LYS 93 Cb -0.03 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 31.55 3jut h LYS 93 CO -0.03 0.50 -0.10 0.72 -2.27 0.00 0.00 179.45 178.26 3jut n HIS 94 N -4.76 0.88 -0.35 1.91 8.25 -1.12 -4.73 115.22 115.29 3jut n HIS 94 Ca 0.17 -1.43 -0.03 0.00 -0.26 0.00 0.00 57.72 56.17 3jut n HIS 94 Cb 0.37 -0.41 0.09 0.00 1.12 0.00 0.00 29.99 31.16 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 1.07 1.19 0.00 -1.41 0.00 -0.62 0.26 119.26 119.74 3jut h ALA 95 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3jut h ALA 95 Cb 1.51 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3jut h ALA 95 CO 0.29 0.64 0.00 -0.85 0.00 0.00 0.00 179.25 179.33 3jut n GLU 96 N -4.38 0.00 0.00 0.00 0.00 -1.26 -0.28 120.64 114.73 3jut n GLU 96 Ca 0.10 0.46 0.08 0.00 0.00 0.00 0.00 57.16 57.80 3jut n GLU 96 Cb 0.05 -1.51 0.02 0.00 0.00 0.00 0.00 31.44 30.00 3jut n GLU 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3jut n LYS 97 N -1.52 1.56 -3.63 3.44 5.02 0.90 -5.01 118.16 118.92 3jut n LYS 97 Ca 0.01 -1.03 -0.24 0.00 -2.02 0.00 0.00 58.31 55.03 3jut n LYS 97 Cb 0.03 -1.27 0.04 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.24 -3.36 -4.47 4.39 5.03 0.62 -4.97 115.26 112.74 3jut n ASN 98 Ca 0.07 -0.87 -0.43 0.00 0.87 0.00 0.00 54.58 54.22 3jut n ASN 98 Cb 0.35 -4.00 -0.08 0.00 -1.02 0.00 0.00 39.78 35.03 3jut n ASN 98 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3jut s TRP 99 N -3.57 3.15 0.22 3.10 0.51 -1.24 -4.71 118.94 116.41 3jut s TRP 99 Ca 0.23 -0.45 -0.04 0.00 -2.12 0.00 0.00 56.10 53.72 3jut s TRP 99 Cb -0.06 -3.05 -0.05 0.00 -0.81 0.00 0.00 33.47 29.49 3jut s TRP 99 CO 0.82 -0.78 0.46 -0.06 -0.51 0.00 0.00 176.95 176.88 3jut s PHE 100 N 2.20 3.47 0.21 -1.98 0.40 -1.26 -1.05 117.98 119.97 3jut s PHE 100 Ca 0.12 0.55 -0.30 0.00 -0.60 0.00 0.00 56.93 56.70 3jut s PHE 100 Cb -0.18 -2.02 -0.09 0.00 0.51 0.00 0.00 43.02 41.23 3jut s PHE 100 CO 0.13 0.31 1.41 0.08 0.70 0.00 0.00 175.22 177.84 3jut s VAL 101 N -1.89 2.89 -0.15 -0.44 1.01 0.17 -4.49 120.40 117.51 3jut s VAL 101 Ca 0.42 0.72 -0.13 0.00 0.00 0.00 0.00 61.98 62.99 3jut s VAL 101 Cb -0.11 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3jut s VAL 101 CO 0.27 0.10 0.39 -0.83 0.00 0.00 0.00 175.10 175.03 3jut s GLY 102 N 0.51 -0.29 0.07 4.51 0.00 -1.26 -4.34 107.32 106.52 3jut s GLY 102 Ca 0.60 1.11 0.06 0.00 0.00 0.00 0.00 44.72 46.49 3jut s GLY 102 CO 0.39 0.97 -0.07 1.08 0.00 0.00 0.00 173.10 175.47 3jut s LEU 103 N 0.24 3.16 0.58 0.66 1.43 -0.82 -0.36 118.68 123.58 3jut s LEU 103 Ca -0.00 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 3jut s LEU 103 Cb -0.03 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3jut s LEU 103 CO 0.00 0.21 0.92 -0.54 0.23 0.00 0.00 176.35 177.17 3jut s LYS 104 N -1.99 3.17 0.64 1.70 1.02 -0.09 -4.49 119.74 119.68 3jut s LYS 104 Ca 0.21 0.22 0.31 0.00 0.02 0.00 0.00 55.97 56.74 3jut s LYS 104 Cb -0.11 -2.24 1.72 0.00 -0.52 0.00 0.00 37.83 36.68 3jut s LYS 104 CO 0.13 -0.60 2.01 0.87 -0.92 0.00 0.00 175.35 176.84 3jut h LYS 105 N -0.16 0.00 -0.02 1.68 1.57 -1.89 0.39 116.57 118.14 3jut h LYS 105 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3jut h LYS 105 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3jut h LYS 105 CO 0.62 0.00 -0.04 0.27 -0.57 0.00 0.00 179.45 179.72 3jut n ASN 106 N -3.25 2.22 0.00 0.86 0.23 -1.26 -4.39 115.26 109.67 3jut n ASN 106 Ca 0.00 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3jut n ASN 106 Cb 0.38 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 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 1.28 0.28 3.88 4.83 0.00 0.14 -4.98 105.19 110.63 3jut n GLY 107 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.28 6.35 0.52 1.61 1.04 -1.26 0.03 113.70 119.71 3jut s SER 108 Ca 0.00 1.17 -0.20 0.00 0.48 0.00 0.00 55.95 57.39 3jut s SER 108 Cb 0.00 -2.35 -0.07 0.00 0.10 0.00 0.00 66.02 63.70 3jut s SER 108 CO 0.00 -0.61 1.11 0.00 0.98 0.00 0.00 173.24 174.72 3jut s LYS 110 N -3.18 3.88 0.13 0.00 1.02 0.51 -4.73 119.74 117.38 3jut s LYS 110 Ca 0.70 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.74 3jut s LYS 110 Cb -0.23 -3.02 -0.07 0.00 -0.52 0.00 0.00 37.83 33.98 3jut s LYS 110 CO 0.26 0.56 1.24 1.03 -0.92 0.00 0.00 175.35 177.52 3jut s ARG 111 N -1.74 4.43 0.01 1.68 0.52 -1.26 -4.60 118.95 117.98 3jut s ARG 111 Ca 0.33 1.89 -0.01 0.00 -0.52 0.00 0.00 55.73 57.41 3jut s ARG 111 Cb -0.15 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 3jut s ARG 111 CO 0.18 -0.22 0.08 0.41 0.02 0.00 0.00 175.30 175.77 3jut n GLY 112 N 2.79 -0.18 0.00 -3.53 0.00 0.43 0.37 105.19 105.07 3jut n GLY 112 Ca 0.07 0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.22 0.02 -0.17 1.61 -0.04 -1.26 -1.79 135.00 130.15 3jut n PRO 113 Ca 0.00 0.32 0.07 0.00 -0.04 0.00 0.00 63.50 63.85 3jut n PRO 113 Cb 0.01 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.33 2.31 -3.84 0.54 5.12 0.16 -4.92 116.66 114.70 3jut n ARG 114 Ca 0.01 -1.99 -0.33 0.00 -1.93 0.00 0.00 57.85 53.60 3jut n ARG 114 Cb 0.01 -1.34 -0.05 0.00 -1.16 0.00 0.00 32.46 29.92 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 -1.07 5.36 0.16 0.55 -4.23 -0.74 -4.94 115.64 110.73 3jut s THR 115 Ca 0.27 -0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.57 3jut s THR 115 Cb 0.15 -3.56 0.03 0.00 1.34 0.00 0.00 72.50 70.46 3jut s THR 115 CO 0.21 0.30 0.46 -1.38 -0.54 0.00 0.00 174.62 173.67 3jut s HIS 116 N -1.35 -0.14 -0.32 3.99 -3.43 -1.26 -4.81 115.29 107.98 3jut s HIS 116 Ca 0.29 -0.19 -0.43 0.00 -0.80 0.00 0.00 55.06 53.93 3jut s HIS 116 Cb -0.13 0.32 -0.18 0.00 -1.43 0.00 0.00 32.58 31.16 3jut s HIS 116 CO 0.19 -0.82 1.59 0.66 -2.00 0.00 0.00 174.74 174.36 3jut n TYR 117 N -0.29 1.76 0.00 0.38 4.02 -1.26 -2.89 117.16 118.88 3jut n TYR 117 Ca -0.12 0.85 0.00 0.00 -0.01 0.00 0.00 57.90 58.61 3jut n TYR 117 Cb 0.63 -2.32 0.00 0.00 -0.02 0.00 0.00 39.34 37.63 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 3.74 1.46 3.74 2.72 0.00 -1.26 -5.09 105.19 110.49 3jut n GLY 118 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.10 4.58 0.62 1.61 -0.21 -1.14 -4.94 119.66 120.08 3jut s GLN 119 Ca 0.00 1.23 0.42 0.00 0.02 0.00 0.00 55.36 57.02 3jut s GLN 119 Cb 0.00 -3.37 2.27 0.00 1.00 0.00 0.00 33.01 32.91 3jut s GLN 119 CO 0.00 0.24 2.28 0.87 -2.12 0.00 0.00 175.29 176.57 3jut h LYS 120 N 5.67 0.00 -0.63 2.91 1.57 -1.97 -3.14 116.57 120.98 3jut h LYS 120 Ca -0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3jut h LYS 120 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 3jut h LYS 120 CO 0.71 0.00 0.26 0.00 -0.57 0.00 0.00 179.45 179.86 3jut h ALA 121 N 2.00 1.28 -0.22 3.86 0.00 -1.92 -3.00 119.26 121.26 3jut h ALA 121 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3jut h ALA 121 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3jut h ALA 121 CO 0.00 0.54 0.00 0.44 0.00 0.00 0.00 179.25 180.23 3jut n ILE 122 N -4.32 0.28 -3.75 0.00 -5.35 -1.19 -1.94 119.36 103.09 3jut n ILE 122 Ca 0.06 -0.43 -0.37 0.00 -0.27 0.00 0.00 62.75 61.74 3jut n ILE 122 Cb 0.16 0.49 -0.12 0.00 -1.74 0.00 0.00 39.64 38.43 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 -1.53 3.60 -0.07 7.28 1.43 -1.14 -4.21 118.68 124.05 3jut s LEU 123 Ca 0.33 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3jut s LEU 123 Cb 0.18 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3jut s LEU 123 CO 0.27 -0.02 -0.14 -0.36 0.23 0.00 0.00 176.35 176.33 3jut s PHE 124 N 1.52 1.63 -0.32 0.29 0.40 -0.39 -3.23 117.98 117.87 3jut s PHE 124 Ca 0.06 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 3jut s PHE 124 Cb -0.15 -1.17 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 3jut s PHE 124 CO 0.05 -0.30 0.29 -1.17 0.70 0.00 0.00 175.22 174.80 3jut s LEU 125 N 0.60 4.33 0.03 -0.37 2.96 0.74 0.30 118.68 127.27 3jut s LEU 125 Ca -0.15 -0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 3jut s LEU 125 Cb -0.16 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 3jut s LEU 125 CO 0.05 -0.23 1.26 -2.16 -1.32 0.00 0.00 176.35 173.94 3jut s PRO 126 N 1.88 4.38 -0.37 0.98 0.04 -1.26 -1.67 135.00 138.98 3jut s PRO 126 Ca 0.09 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.98 3jut s PRO 126 Cb -0.17 -3.42 0.11 0.00 0.04 0.00 0.00 34.50 31.06 3jut s PRO 126 CO 0.11 -0.37 0.12 -0.51 0.04 0.00 0.00 177.00 176.39 3jut s LEU 127 N 1.54 3.59 0.33 -3.56 2.01 0.14 -4.96 118.68 117.77 3jut s LEU 127 Ca 0.60 -2.18 -0.29 0.00 0.01 0.00 0.00 54.13 52.27 3jut s LEU 127 Cb -0.30 -1.30 -0.11 0.00 0.01 0.00 0.00 46.19 44.50 3jut s LEU 127 CO 0.27 -0.35 1.49 -2.84 1.01 0.00 0.00 176.35 175.93 3jut s PRO 128 N 0.89 4.16 0.69 1.29 0.02 -1.26 -1.57 135.00 139.22 3jut s PRO 128 Ca 0.12 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.52 3jut s PRO 128 Cb -0.20 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.32 3jut s PRO 128 CO -0.11 -0.51 1.08 0.08 -0.33 0.00 0.00 177.00 177.21 3jut s VAL 129 N -0.64 3.57 0.00 3.83 1.01 -0.78 -4.94 120.40 122.44 3jut s VAL 129 Ca 0.56 0.60 0.00 0.00 0.00 0.00 0.00 61.98 63.15 3jut s VAL 129 Cb -0.46 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3jut s VAL 129 CO 0.55 -0.57 0.00 -1.20 0.00 0.00 0.00 175.10 173.88