#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u68 n GLN 2 N 0.00 3.23 -2.45 2.12 6.02 -1.26 -4.99 117.38 120.05 1u68 n GLN 2 Ca 0.00 -2.61 -0.37 0.00 -0.01 0.00 0.00 57.00 54.01 1u68 n GLN 2 Cb 0.00 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.57 1u68 n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u68 s ASP 3 N -1.11 6.64 0.02 1.08 1.11 -1.26 -5.04 116.67 118.11 1u68 s ASP 3 Ca 0.41 2.14 -0.13 0.00 0.18 0.00 0.00 52.55 55.16 1u68 s ASP 3 Cb 0.26 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.67 1u68 s ASP 3 CO 0.21 -0.58 0.27 0.42 1.18 0.00 0.00 175.17 176.67 1u68 s THR 4 N -1.58 0.08 -0.08 -1.27 -4.23 -1.26 -3.13 115.64 104.17 1u68 s THR 4 Ca 0.58 -0.67 0.03 0.00 -1.18 0.00 0.00 61.69 60.45 1u68 s THR 4 Cb -0.25 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.76 1u68 s THR 4 CO 0.31 -0.37 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.21 1u68 s ILE 5 N -2.15 2.63 0.08 2.99 1.01 -0.44 -4.93 121.20 120.39 1u68 s ILE 5 Ca -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1u68 s ILE 5 Cb -0.02 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1u68 s ILE 5 CO -0.01 0.56 -0.07 0.72 0.00 0.00 0.00 174.94 176.14 1u68 s PHE 6 N -0.08 0.85 -0.20 3.97 -0.12 -1.26 -0.59 117.98 120.55 1u68 s PHE 6 Ca -0.04 -0.77 -0.04 0.00 -0.05 0.00 0.00 56.93 56.04 1u68 s PHE 6 Cb -0.14 -0.49 0.07 0.00 -0.63 0.00 0.00 43.02 41.82 1u68 s PHE 6 CO 0.04 -0.11 0.07 -0.51 -0.05 0.00 0.00 175.22 174.66 1u68 s LEU 7 N -2.56 0.89 -0.09 -1.99 1.02 0.13 -5.01 118.68 111.07 1u68 s LEU 7 Ca 0.05 -0.84 -0.02 0.00 0.02 0.00 0.00 54.13 53.34 1u68 s LEU 7 Cb -0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 46.19 45.71 1u68 s LEU 7 CO -0.03 -0.34 0.00 -0.54 0.02 0.00 0.00 176.35 175.47 1u68 s LYS 8 N 1.96 3.06 -1.45 1.70 1.02 -1.26 -0.54 119.74 124.23 1u68 s LYS 8 Ca 0.02 -0.41 -0.05 0.00 0.02 0.00 0.00 55.97 55.55 1u68 s LYS 8 Cb -0.17 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1u68 s LYS 8 CO -0.12 0.66 0.63 0.41 -0.92 0.00 0.00 175.35 176.02 1u68 n GLY 9 N 2.27 -0.45 3.77 -3.33 0.00 -1.17 -4.95 105.19 101.33 1u68 n GLY 9 Ca -0.18 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1u68 n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1u68 s MET 10 N -5.69 4.39 -0.05 1.61 -1.94 0.64 -4.73 119.30 113.52 1u68 s MET 10 Ca 0.31 2.17 0.02 0.00 -1.71 0.00 0.00 55.69 56.48 1u68 s MET 10 Cb -0.14 -3.09 0.01 0.00 2.01 0.00 0.00 34.83 33.62 1u68 s MET 10 CO 0.39 -0.15 -0.10 1.03 -0.01 0.00 0.00 175.02 176.18 1u68 s ARG 11 N -1.68 1.35 0.06 2.03 0.52 -1.26 0.86 118.95 120.83 1u68 s ARG 11 Ca 0.49 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1u68 s ARG 11 Cb -0.39 -1.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.88 1u68 s ARG 11 CO 0.51 0.05 -0.10 -0.06 0.02 0.00 0.00 175.30 175.72 1u68 s PHE 12 N 0.51 0.90 -0.34 -0.53 0.08 -0.26 -4.95 117.98 113.38 1u68 s PHE 12 Ca -0.10 -0.50 -0.12 0.00 0.12 0.00 0.00 56.93 56.33 1u68 s PHE 12 Cb -0.13 -0.52 -0.01 0.00 -0.57 0.00 0.00 43.02 41.79 1u68 s PHE 12 CO 0.02 -0.03 0.23 -0.47 -0.10 0.00 0.00 175.22 174.87 1u68 s TYR 13 N -1.41 3.22 0.42 0.36 6.14 -1.26 -0.11 117.35 124.72 1u68 s TYR 13 Ca -0.06 -0.39 0.04 0.00 0.64 0.00 0.00 57.07 57.30 1u68 s TYR 13 Cb -0.10 -2.46 -0.01 0.00 0.42 0.00 0.00 41.96 39.81 1u68 s TYR 13 CO 0.01 -0.43 0.13 0.41 0.64 0.00 0.00 175.55 176.31 1u68 n GLY 14 N 5.08 3.26 0.15 8.97 0.00 -0.42 -4.83 105.19 117.40 1u68 n GLY 14 Ca -0.13 -2.14 0.08 0.00 0.00 0.00 0.00 46.02 43.83 1u68 n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u68 n TYR 15 N -0.96 0.00 -1.00 1.61 4.02 -1.26 -0.93 117.16 118.63 1u68 n TYR 15 Ca -0.07 -0.85 -0.28 0.00 -0.01 0.00 0.00 57.90 56.68 1u68 n TYR 15 Cb 0.62 -0.14 0.20 0.00 -0.02 0.00 0.00 39.34 40.01 1u68 n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1u68 s HIS 16 N -2.44 1.86 0.00 -0.72 3.76 -1.26 -3.53 115.29 112.96 1u68 s HIS 16 Ca 0.27 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 1u68 s HIS 16 Cb 0.24 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.70 1u68 s HIS 16 CO 0.02 -3.23 0.00 0.41 -0.85 0.00 0.00 174.74 171.09 1u68 n GLY 17 N -0.60 4.00 0.04 -2.22 0.00 0.30 -4.39 105.19 102.32 1u68 n GLY 17 Ca 0.04 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.75 1u68 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u68 n ALA 18 N -1.15 2.16 -2.70 4.61 0.00 -1.20 -4.48 120.51 117.75 1u68 n ALA 18 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1u68 n ALA 18 Cb 0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 17.96 1u68 n ALA 18 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1u68 s LEU 19 N -3.53 4.30 0.29 0.00 2.96 -1.26 -4.99 118.68 116.44 1u68 s LEU 19 Ca 0.11 0.60 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 1u68 s LEU 19 Cb 0.15 -2.41 0.53 0.00 0.50 0.00 0.00 46.19 44.97 1u68 s LEU 19 CO 0.50 0.15 1.86 0.28 -1.32 0.00 0.00 176.35 177.82 1u68 h SER 20 N 6.21 0.94 -0.40 3.68 0.02 -2.01 -1.01 113.55 120.98 1u68 h SER 20 Ca -0.44 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 1u68 h SER 20 Cb 1.18 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 1u68 h SER 20 CO 0.72 0.54 0.16 0.00 -1.14 0.00 0.00 176.83 177.11 1u68 h ALA 21 N 1.52 1.43 0.02 3.77 0.00 -1.97 -2.28 119.26 121.75 1u68 h ALA 21 Ca 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1u68 h ALA 21 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u68 h ALA 21 CO -0.22 0.43 -0.01 0.93 0.00 0.00 0.00 179.25 180.38 1u68 h GLU 22 N 0.65 -0.02 -0.31 0.00 5.08 -1.54 -1.96 114.58 116.48 1u68 h GLU 22 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1u68 h GLU 22 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1u68 h GLU 22 CO -0.01 0.12 0.15 -0.91 -1.00 0.00 0.00 179.01 177.36 1u68 h ASN 23 N -0.17 0.37 0.35 1.42 2.35 -1.29 0.37 115.58 118.98 1u68 h ASN 23 Ca -0.00 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1u68 h ASN 23 Cb 0.16 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1u68 h ASN 23 CO 0.00 0.32 -0.17 -0.08 -1.65 0.00 0.00 177.43 175.86 1u68 h GLU 24 N 0.43 -0.45 0.13 0.81 4.81 -1.15 -3.38 114.58 115.78 1u68 h GLU 24 Ca 0.11 0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.19 1u68 h GLU 24 Cb 0.05 0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.55 1u68 h GLU 24 CO -0.02 -0.13 -0.78 0.82 -0.73 0.00 0.00 179.01 178.17 1u68 h ILE 25 N -0.87 1.52 0.00 2.32 2.04 -1.31 -3.51 117.51 117.71 1u68 h ILE 25 Ca -0.05 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1u68 h ILE 25 Cb 0.53 3.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 1u68 h ILE 25 CO 0.08 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.55 1u68 n GLY 26 N 1.67 -0.76 3.87 5.37 0.00 0.13 -5.01 105.19 110.45 1u68 n GLY 26 Ca -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 1u68 n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u68 s GLN 27 N -1.00 1.43 -0.14 1.61 -2.07 -0.11 -4.99 119.66 114.39 1u68 s GLN 27 Ca 0.00 -0.91 -0.16 0.00 -1.82 0.00 0.00 55.36 52.47 1u68 s GLN 27 Cb 0.00 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.28 1u68 s GLN 27 CO 0.00 -0.67 0.38 0.42 -1.32 0.00 0.00 175.29 174.10 1u68 s ILE 28 N -2.25 5.25 -0.17 3.63 -1.09 -1.26 -1.30 121.20 124.01 1u68 s ILE 28 Ca 0.20 0.75 -0.03 0.00 -2.23 0.00 0.00 60.65 59.34 1u68 s ILE 28 Cb -0.03 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1u68 s ILE 28 CO 0.06 0.35 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.72 1u68 s PHE 29 N 0.57 2.98 -0.19 3.97 0.40 0.84 -4.39 117.98 122.16 1u68 s PHE 29 Ca 0.21 -0.48 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 1u68 s PHE 29 Cb -0.14 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 1u68 s PHE 29 CO 0.07 -0.17 0.11 0.21 0.70 0.00 0.00 175.22 176.14 1u68 s LYS 30 N 0.63 4.11 -0.07 0.44 2.20 -0.46 -1.10 119.74 125.48 1u68 s LYS 30 Ca -0.03 -0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1u68 s LYS 30 Cb -0.15 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1u68 s LYS 30 CO 0.02 0.31 -0.12 0.08 -0.36 0.00 0.00 175.35 175.28 1u68 s VAL 31 N 0.32 1.15 -0.20 4.02 1.01 0.25 -0.54 120.40 126.42 1u68 s VAL 31 Ca 0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1u68 s VAL 31 Cb -0.11 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1u68 s VAL 31 CO -0.01 0.36 -0.14 -1.81 0.00 0.00 0.00 175.10 173.50 1u68 s ASP 32 N 0.71 3.63 -0.14 3.32 1.01 -0.57 -0.26 116.67 124.37 1u68 s ASP 32 Ca -0.14 -0.58 0.02 0.00 0.71 0.00 0.00 52.55 52.57 1u68 s ASP 32 Cb -0.16 -1.58 0.01 0.00 1.01 0.00 0.00 42.92 42.20 1u68 s ASP 32 CO 0.03 -0.02 -0.22 -0.69 0.21 0.00 0.00 175.17 174.49 1u68 s VAL 33 N 1.36 2.02 -0.17 -1.27 1.01 0.30 -1.52 120.40 122.11 1u68 s VAL 33 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1u68 s VAL 33 Cb -0.14 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1u68 s VAL 33 CO -0.09 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.47 1u68 s THR 34 N 0.82 1.97 -0.15 3.92 2.01 -0.80 -0.69 115.64 122.73 1u68 s THR 34 Ca -0.07 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 1u68 s THR 34 Cb -0.15 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1u68 s THR 34 CO -0.02 0.53 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.64 1u68 s LEU 35 N 1.31 3.23 -0.35 4.42 1.43 0.24 -1.18 118.68 127.78 1u68 s LEU 35 Ca 0.05 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 1u68 s LEU 35 Cb -0.13 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1u68 s LEU 35 CO -0.12 0.18 0.98 -0.75 0.23 0.00 0.00 176.35 176.87 1u68 s LYS 36 N 0.31 3.92 -0.10 1.70 2.20 -0.07 -1.33 119.74 126.37 1u68 s LYS 36 Ca -0.04 0.75 -0.06 0.00 -0.36 0.00 0.00 55.97 56.26 1u68 s LYS 36 Cb -0.14 -3.78 0.04 0.00 -1.51 0.00 0.00 37.83 32.44 1u68 s LYS 36 CO 0.03 -0.94 0.25 0.08 -0.36 0.00 0.00 175.35 174.41 1u68 s VAL 37 N 3.56 -0.03 -0.36 4.02 1.01 -1.18 -0.24 120.40 127.18 1u68 s VAL 37 Ca 0.41 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 1u68 s VAL 37 Cb -0.12 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1u68 s VAL 37 CO 0.18 0.04 1.27 -0.62 0.00 0.00 0.00 175.10 175.97 1u68 s ASP 38 N 0.88 6.61 -0.13 3.32 -1.08 -1.26 -4.16 116.67 120.85 1u68 s ASP 38 Ca -0.06 0.96 0.18 0.00 -0.52 0.00 0.00 52.55 53.11 1u68 s ASP 38 Cb -0.07 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.59 1u68 s ASP 38 CO -0.06 -1.18 1.66 0.18 0.52 0.00 0.00 175.17 176.30 1u68 n LEU 39 N 7.87 4.98 0.03 -1.34 4.77 -1.26 -4.61 117.00 127.44 1u68 n LEU 39 Ca 0.14 -2.52 -0.11 0.00 -0.03 0.00 0.00 56.01 53.49 1u68 n LEU 39 Cb 0.47 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1u68 n LEU 39 CO 0.66 0.79 0.37 0.77 -1.33 0.00 0.00 177.39 178.65 1u68 h SER 40 N 4.15 0.60 0.05 -1.43 4.64 -1.94 -1.53 113.55 118.09 1u68 h SER 40 Ca 0.00 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1u68 h SER 40 Cb 1.55 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1u68 h SER 40 CO 0.28 1.11 -0.02 -0.08 -0.87 0.00 0.00 176.83 177.25 1u68 h GLU 41 N 0.36 -0.06 -0.99 4.77 4.81 -1.89 -0.21 114.58 121.38 1u68 h GLU 41 Ca -0.02 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1u68 h GLU 41 Cb 1.27 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1u68 h GLU 41 CO 0.13 0.24 0.64 0.00 -0.73 0.00 0.00 179.01 179.29 1u68 h ALA 42 N 0.57 1.40 -0.52 2.92 0.00 -1.71 0.73 119.26 122.64 1u68 h ALA 42 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1u68 h ALA 42 Cb 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1u68 h ALA 42 CO 0.01 0.48 0.09 0.78 0.00 0.00 0.00 179.25 180.61 1u68 h GLY 43 N 1.19 0.88 0.38 0.00 0.00 -1.12 1.10 103.07 105.51 1u68 h GLY 43 Ca 0.41 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1u68 h GLY 43 CO -0.15 0.50 -0.14 -0.09 0.00 0.00 0.00 176.54 176.65 1u68 h ARG 44 N 0.78 -0.38 -0.20 4.80 2.43 0.86 -3.37 114.38 119.30 1u68 h ARG 44 Ca 0.17 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1u68 h ARG 44 Cb 0.34 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1u68 h ARG 44 CO 0.00 -0.11 -0.31 1.79 -1.51 0.00 0.00 179.97 179.83 1u68 h THR 45 N -1.02 1.33 0.00 0.20 1.35 0.42 -3.47 112.91 111.72 1u68 h THR 45 Ca -0.04 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 1u68 h THR 45 Cb 0.45 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1u68 h THR 45 CO 0.07 0.47 0.00 -0.67 -0.25 0.00 0.00 175.52 175.14 1u68 n ASP 46 N -4.33 -2.92 -4.66 5.36 2.03 0.38 -5.01 116.55 107.40 1u68 n ASP 46 Ca -0.06 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.87 1u68 n ASP 46 Cb 0.48 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.32 1u68 n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1u68 s ASN 47 N -2.35 6.48 0.60 1.67 3.84 -1.26 -4.95 114.94 118.97 1u68 s ASN 47 Ca 0.00 0.57 0.30 0.00 0.21 0.00 0.00 52.86 53.94 1u68 s ASN 47 Cb 0.00 -2.26 1.74 0.00 -0.55 0.00 0.00 41.25 40.17 1u68 s ASN 47 CO 0.00 -0.16 2.14 1.62 -2.79 0.00 0.00 177.10 177.91 1u68 h VAL 48 N 5.14 0.43 0.00 -5.21 3.04 -1.95 -1.16 116.25 116.54 1u68 h VAL 48 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1u68 h VAL 48 Cb 1.16 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1u68 h VAL 48 CO 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.28 1u68 n ILE 49 N -3.72 0.50 -0.71 3.17 0.13 -1.26 -2.87 119.36 114.60 1u68 n ILE 49 Ca 0.00 0.12 0.08 0.00 -1.10 0.00 0.00 62.75 61.86 1u68 n ILE 49 Cb 0.27 -0.82 0.34 0.00 -0.84 0.00 0.00 39.64 38.59 1u68 n ILE 49 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1u68 n ASP 50 N -1.32 4.73 -3.25 9.51 8.00 -0.44 -4.97 116.55 128.82 1u68 n ASP 50 Ca 0.08 -2.61 -0.13 0.00 0.71 0.00 0.00 54.79 52.84 1u68 n ASP 50 Cb 0.16 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1u68 n ASP 50 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1u68 s THR 51 N -2.14 0.00 -0.21 -3.53 -1.32 -1.14 -4.11 115.64 103.21 1u68 s THR 51 Ca 0.49 -1.47 -0.12 0.00 -1.21 0.00 0.00 61.69 59.37 1u68 s THR 51 Cb 0.34 -2.65 -0.05 0.00 -1.51 0.00 0.00 72.50 68.63 1u68 s THR 51 CO 0.20 0.00 0.24 -0.69 -2.21 0.00 0.00 174.62 172.15 1u68 s VAL 52 N -3.00 5.32 -0.35 5.08 1.01 -1.26 -5.01 120.40 122.19 1u68 s VAL 52 Ca 0.27 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 1u68 s VAL 52 Cb -0.01 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1u68 s VAL 52 CO 0.18 0.35 1.61 -2.28 0.00 0.00 0.00 175.10 174.96 1u68 s HIS 53 N 0.86 2.10 0.27 5.22 2.46 -1.26 -4.92 115.29 120.01 1u68 s HIS 53 Ca 0.12 0.64 -0.01 0.00 0.47 0.00 0.00 55.06 56.28 1u68 s HIS 53 Cb -0.13 -4.19 0.50 0.00 -0.13 0.00 0.00 32.58 28.63 1u68 s HIS 53 CO 0.04 -2.53 1.82 0.10 -2.47 0.00 0.00 174.74 171.70 1u68 h TYR 54 N 11.69 1.01 -0.61 3.88 -0.00 -1.97 -2.36 116.97 128.62 1u68 h TYR 54 Ca -0.31 0.03 0.11 0.00 0.00 0.00 0.00 58.73 58.57 1u68 h TYR 54 Cb 1.14 -0.32 -0.09 0.00 0.00 0.00 0.00 36.73 37.47 1u68 h TYR 54 CO 0.96 0.39 0.13 0.78 -0.00 0.00 0.00 178.16 180.42 1u68 h GLY 55 N 0.89 0.78 1.65 0.10 0.00 -2.00 0.03 103.07 104.53 1u68 h GLY 55 Ca 0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.69 1u68 h GLY 55 CO -0.27 -0.11 -0.15 0.83 0.00 0.00 0.00 176.54 176.84 1u68 h GLU 56 N 0.27 0.43 -0.53 4.80 5.08 -1.85 -2.43 114.58 120.34 1u68 h GLU 56 Ca 0.32 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1u68 h GLU 56 Cb 0.48 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1u68 h GLU 56 CO -0.40 0.57 -0.09 0.28 -1.00 0.00 0.00 179.01 178.36 1u68 h VAL 57 N 0.39 1.27 -0.27 3.13 2.07 -0.86 -2.69 116.25 119.29 1u68 h VAL 57 Ca 0.07 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1u68 h VAL 57 Cb 0.49 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1u68 h VAL 57 CO 0.03 0.44 0.00 0.15 0.02 0.00 0.00 177.57 178.21 1u68 h PHE 58 N 0.88 0.40 -0.10 1.57 3.57 -0.90 -1.57 116.94 120.79 1u68 h PHE 58 Ca 0.14 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 1u68 h PHE 58 Cb 0.66 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1u68 h PHE 58 CO 0.05 0.40 -0.49 0.93 -2.23 0.00 0.00 178.31 176.97 1u68 h GLU 59 N 0.39 0.27 -0.09 1.11 4.39 -1.20 -0.43 114.58 119.02 1u68 h GLU 59 Ca 0.09 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1u68 h GLU 59 Cb 0.25 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1u68 h GLU 59 CO 0.01 0.70 -0.33 0.93 -1.16 0.00 0.00 179.01 179.15 1u68 h GLU 60 N 0.21 0.38 -0.37 2.33 4.39 -1.09 -1.99 114.58 118.45 1u68 h GLU 60 Ca 0.01 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 1u68 h GLU 60 Cb 0.94 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1u68 h GLU 60 CO 0.08 0.92 0.21 0.28 -1.16 0.00 0.00 179.01 179.34 1u68 h VAL 61 N -0.08 1.13 -0.12 3.13 2.07 -1.27 -2.86 116.25 118.26 1u68 h VAL 61 Ca -0.02 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1u68 h VAL 61 Cb 0.96 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1u68 h VAL 61 CO 0.07 0.13 -0.13 0.50 0.02 0.00 0.00 177.57 178.17 1u68 h LYS 62 N 0.47 -0.15 -0.21 1.57 3.64 -1.08 0.56 116.57 121.37 1u68 h LYS 62 Ca 0.13 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1u68 h LYS 62 Cb 0.03 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1u68 h LYS 62 CO -0.02 -0.10 0.17 0.66 -2.27 0.00 0.00 179.45 177.89 1u68 h SER 63 N -0.16 0.00 0.38 4.20 4.64 -1.25 0.16 113.55 121.53 1u68 h SER 63 Ca 0.09 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.09 1u68 h SER 63 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1u68 h SER 63 CO -0.21 0.00 -1.74 0.40 -0.87 0.00 0.00 176.83 174.41 1u68 h ILE 64 N 0.00 0.87 0.00 0.95 2.04 -1.18 -3.07 117.51 117.12 1u68 h ILE 64 Ca 0.10 -2.63 -0.18 0.00 1.00 0.00 0.00 64.86 63.15 1u68 h ILE 64 Cb 0.44 2.54 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 1u68 h ILE 64 CO -0.00 0.71 -0.85 0.24 0.00 0.00 0.00 178.15 178.25 1u68 h MET 65 N 0.04 0.00 -0.49 2.37 2.86 -0.17 -3.26 114.93 116.28 1u68 h MET 65 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1u68 h MET 65 Cb 2.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.67 1u68 h MET 65 CO 0.10 0.85 0.00 0.39 1.06 0.00 0.00 176.91 179.31 1u68 n GLU 66 N -3.52 3.33 0.00 1.72 1.02 0.49 -4.53 120.64 119.15 1u68 n GLU 66 Ca -0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1u68 n GLU 66 Cb 0.81 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1u68 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u68 n GLY 67 N 0.63 2.14 3.63 0.62 0.00 -1.16 -5.00 105.19 106.05 1u68 n GLY 67 Ca 0.21 -1.91 -0.52 0.00 0.00 0.00 0.00 46.02 43.80 1u68 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u68 n LYS 68 N 0.00 1.35 -2.12 1.61 4.81 -1.26 -4.88 118.16 117.66 1u68 n LYS 68 Ca 0.00 0.49 -0.42 0.00 -0.87 0.00 0.00 58.31 57.51 1u68 n LYS 68 Cb 0.00 -2.17 -0.03 0.00 0.02 0.00 0.00 35.03 32.85 1u68 n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u68 s ALA 69 N 1.36 3.60 0.51 3.14 0.00 -1.26 -4.96 121.76 124.16 1u68 s ALA 69 Ca 0.87 1.19 0.00 0.00 0.00 0.00 0.00 51.96 54.02 1u68 s ALA 69 Cb -0.92 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 18.66 1u68 s ALA 69 CO 0.50 -0.64 0.00 1.33 0.00 0.00 0.00 175.76 176.95 1u68 n VAL 70 N 3.25 0.00 -0.09 0.00 0.24 -1.26 -4.93 118.33 115.54 1u68 n VAL 70 Ca 0.09 -2.42 -0.14 0.00 -2.04 0.00 0.00 64.34 59.83 1u68 n VAL 70 Cb 0.41 0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 33.20 1u68 n VAL 70 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1u68 h ASN 71 N 1.24 0.00 -2.95 -1.34 2.35 -1.94 0.86 115.58 113.80 1u68 h ASN 71 Ca -0.42 -0.35 -0.54 0.00 -0.55 0.00 0.00 56.30 54.44 1u68 h ASN 71 Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 1u68 h ASN 71 CO 0.70 1.14 -0.30 -0.76 -1.65 0.00 0.00 177.43 176.57 1u68 s LEU 72 N -8.06 4.20 0.23 1.61 1.43 -1.26 -2.61 118.68 114.22 1u68 s LEU 72 Ca -0.21 0.48 0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1u68 s LEU 72 Cb 0.03 -3.25 0.15 0.00 0.03 0.00 0.00 46.19 43.15 1u68 s LEU 72 CO 0.44 -0.06 1.48 -0.07 0.23 0.00 0.00 176.35 178.37 1u68 h LEU 73 N 2.05 0.00 -1.26 1.79 3.38 -1.99 -2.98 115.31 116.30 1u68 h LEU 73 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1u68 h LEU 73 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1u68 h LEU 73 CO 0.68 0.72 0.14 -0.33 0.09 0.00 0.00 178.44 179.75 1u68 h GLU 74 N 0.00 0.66 -0.05 1.13 3.07 -1.97 -0.54 114.58 116.87 1u68 h GLU 74 Ca -0.01 -0.10 -0.21 0.00 -0.50 0.00 0.00 59.36 58.54 1u68 h GLU 74 Cb 1.36 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1u68 h GLU 74 CO 0.09 0.57 -0.83 1.25 -1.40 0.00 0.00 179.01 178.69 1u68 h HIS 75 N 0.65 0.66 -0.13 4.33 2.76 -1.93 -2.26 115.15 119.22 1u68 h HIS 75 Ca 0.15 -0.32 -0.19 0.00 -2.20 0.00 0.00 60.37 57.81 1u68 h HIS 75 Cb 0.19 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 1u68 h HIS 75 CO 0.01 1.12 -0.69 -0.07 -1.30 0.00 0.00 177.93 176.99 1u68 h LEU 76 N 0.30 0.66 -0.41 0.26 3.38 -1.32 -2.62 115.31 115.56 1u68 h LEU 76 Ca -0.06 -0.41 -0.18 0.00 0.09 0.00 0.00 57.88 57.33 1u68 h LEU 76 Cb 1.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1u68 h LEU 76 CO 0.15 1.16 -0.79 0.00 0.09 0.00 0.00 178.44 179.05 1u68 h ALA 77 N 0.83 0.64 0.00 1.53 0.00 -1.15 -2.70 119.26 118.41 1u68 h ALA 77 Ca -0.03 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 1u68 h ALA 77 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1u68 h ALA 77 CO 0.13 0.89 -0.52 1.49 0.00 0.00 0.00 179.25 181.24 1u68 h GLU 78 N 0.09 0.00 0.05 0.00 4.57 -1.39 -0.46 114.58 117.45 1u68 h GLU 78 Ca -0.03 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.91 1u68 h GLU 78 Cb 1.39 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 1u68 h GLU 78 CO 0.12 0.52 -1.11 0.00 -1.18 0.00 0.00 179.01 177.35 1u68 h ARG 79 N 0.00 0.11 -0.02 1.92 3.08 -1.44 -2.61 114.38 115.42 1u68 h ARG 79 Ca -0.01 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1u68 h ARG 79 Cb 0.95 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1u68 h ARG 79 CO 0.07 1.08 -0.10 0.82 -1.07 0.00 0.00 179.97 180.77 1u68 h ILE 80 N 0.03 1.52 -0.19 2.04 2.04 -1.28 -1.04 117.51 120.63 1u68 h ILE 80 Ca -0.07 -1.67 0.03 0.00 1.00 0.00 0.00 64.86 64.15 1u68 h ILE 80 Cb 1.86 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 40.49 1u68 h ILE 80 CO 0.16 0.45 -0.01 0.00 0.00 0.00 0.00 178.15 178.74 1u68 h ALA 81 N 0.33 0.15 -0.82 1.87 0.00 -1.20 -0.46 119.26 119.13 1u68 h ALA 81 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1u68 h ALA 81 Cb 0.78 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1u68 h ALA 81 CO 0.02 -0.45 0.49 -0.97 0.00 0.00 0.00 179.25 178.34 1u68 h ASN 82 N 0.04 0.99 -0.09 0.00 -0.73 -1.52 -0.66 115.58 113.60 1u68 h ASN 82 Ca 0.09 -0.06 -0.15 0.00 1.87 0.00 0.00 56.30 58.05 1u68 h ASN 82 Cb 0.12 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1u68 h ASN 82 CO -0.16 0.77 -0.44 -0.09 -0.37 0.00 0.00 177.43 177.14 1u68 h ARG 83 N 1.13 0.64 0.04 6.67 9.65 -0.68 -2.24 114.38 129.59 1u68 h ARG 83 Ca 0.29 -0.34 -0.27 0.00 -1.10 0.00 0.00 59.98 58.56 1u68 h ARG 83 Cb -0.04 0.02 0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1u68 h ARG 83 CO -0.05 0.95 -1.07 0.82 2.80 0.00 0.00 179.97 183.41 1u68 h ILE 84 N 0.51 1.30 -0.36 1.20 2.04 -0.85 -3.02 117.51 118.33 1u68 h ILE 84 Ca 0.04 -2.31 -0.06 0.00 1.00 0.00 0.00 64.86 63.53 1u68 h ILE 84 Cb 0.97 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1u68 h ILE 84 CO 0.09 0.71 -0.03 0.78 0.00 0.00 0.00 178.15 179.69 1u68 h ASN 85 N 0.30 0.54 -0.33 1.72 2.35 -1.16 -2.23 115.58 116.76 1u68 h ASN 85 Ca -0.15 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.36 1u68 h ASN 85 Cb 1.74 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.95 1u68 h ASN 85 CO 0.21 0.63 -0.24 0.28 -1.65 0.00 0.00 177.43 176.66 1u68 h SER 86 N 0.54 0.85 0.59 5.81 0.02 -1.43 -3.27 113.55 116.67 1u68 h SER 86 Ca 0.11 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1u68 h SER 86 Cb 0.39 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1u68 h SER 86 CO 0.02 1.05 -1.27 0.00 -1.14 0.00 0.00 176.83 175.49 1u68 n GLN 87 N -4.10 0.54 -4.08 3.45 6.02 -1.14 -4.83 117.38 113.23 1u68 n GLN 87 Ca -0.00 0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1u68 n GLN 87 Cb 0.45 -1.69 -0.16 0.00 1.02 0.00 0.00 30.24 29.87 1u68 n GLN 87 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1u68 s TYR 88 N -3.36 2.72 -0.18 1.08 2.02 -0.85 -4.96 117.35 113.82 1u68 s TYR 88 Ca -0.01 -1.69 0.16 0.00 -0.37 0.00 0.00 57.07 55.16 1u68 s TYR 88 Cb 0.12 -1.84 0.05 0.00 -0.40 0.00 0.00 41.96 39.90 1u68 s TYR 88 CO 0.82 -0.79 1.35 -0.97 -1.57 0.00 0.00 175.55 174.39 1u68 h ASN 89 N 7.93 0.00 1.09 2.29 -0.73 -1.88 -3.23 115.58 121.05 1u68 h ASN 89 Ca -0.38 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.79 1u68 h ASN 89 Cb 1.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1u68 h ASN 89 CO 0.57 0.45 0.00 0.03 -0.37 0.00 0.00 177.43 178.11 1u68 h ARG 90 N 0.00 0.00 -6.31 6.67 3.08 -1.94 -3.41 114.38 112.48 1u68 h ARG 90 Ca -0.03 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.45 1u68 h ARG 90 Cb 1.37 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.33 1u68 h ARG 90 CO 0.05 0.00 0.83 0.08 -1.07 0.00 0.00 179.97 179.86 1u68 s VAL 91 N -3.50 4.15 0.13 2.04 1.01 -1.22 -4.39 120.40 118.63 1u68 s VAL 91 Ca 0.03 0.67 0.16 0.00 0.00 0.00 0.00 61.98 62.84 1u68 s VAL 91 Cb 0.09 -4.66 0.06 0.00 0.00 0.00 0.00 36.38 31.87 1u68 s VAL 91 CO 0.52 -1.26 1.63 0.24 0.00 0.00 0.00 175.10 176.23 1u68 h MET 92 N 9.46 0.00 -1.82 2.72 2.86 -0.85 -3.40 114.93 123.91 1u68 h MET 92 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1u68 h MET 92 Cb 1.06 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.49 1u68 h MET 92 CO 1.15 0.49 0.29 -2.00 1.06 0.00 0.00 176.91 177.90 1u68 s GLU 93 N -3.43 0.72 -0.12 1.72 2.12 -1.25 -0.76 118.70 117.70 1u68 s GLU 93 Ca 0.01 0.71 0.03 0.00 0.36 0.00 0.00 54.97 56.08 1u68 s GLU 93 Cb 0.11 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.84 1u68 s GLU 93 CO 0.72 -0.11 -0.22 0.99 -0.54 0.00 0.00 175.26 176.10 1u68 s THR 94 N 0.06 2.21 -0.21 -1.70 2.01 0.78 -0.89 115.64 117.91 1u68 s THR 94 Ca -0.00 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 1u68 s THR 94 Cb -0.04 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1u68 s THR 94 CO -0.01 0.55 -0.00 -0.75 -0.69 0.00 0.00 174.62 173.72 1u68 s LYS 95 N 0.49 3.57 -0.14 4.92 2.20 -0.32 -0.47 119.74 129.98 1u68 s LYS 95 Ca -0.14 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 1u68 s LYS 95 Cb -0.17 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1u68 s LYS 95 CO 0.05 -0.05 -0.18 0.08 -0.36 0.00 0.00 175.35 174.89 1u68 s VAL 96 N 1.16 1.81 -0.18 4.02 1.01 0.25 -1.90 120.40 126.57 1u68 s VAL 96 Ca 0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1u68 s VAL 96 Cb -0.14 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1u68 s VAL 96 CO 0.01 0.50 -0.15 -0.60 0.00 0.00 0.00 175.10 174.86 1u68 s ARG 97 N 1.11 3.16 -0.05 2.72 3.52 -0.58 -1.05 118.95 127.78 1u68 s ARG 97 Ca -0.02 -0.76 0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1u68 s ARG 97 Cb -0.14 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 1u68 s ARG 97 CO -0.06 -0.12 -0.23 0.42 -0.81 0.00 0.00 175.30 174.50 1u68 s ILE 98 N 1.15 2.23 -0.04 4.11 1.01 -0.63 -1.51 121.20 127.52 1u68 s ILE 98 Ca 0.01 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1u68 s ILE 98 Cb -0.14 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1u68 s ILE 98 CO -0.06 0.57 -0.10 -0.89 0.00 0.00 0.00 174.94 174.47 1u68 s THR 99 N -0.35 0.88 -0.72 2.92 2.01 0.30 -2.00 115.64 118.68 1u68 s THR 99 Ca 0.02 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 1u68 s THR 99 Cb -0.12 -0.81 0.19 0.00 0.01 0.00 0.00 72.50 71.77 1u68 s THR 99 CO 0.02 0.28 0.58 -0.54 -0.69 0.00 0.00 174.62 174.28 1u68 s LYS 100 N 0.48 3.00 0.54 4.92 1.02 0.87 -1.36 119.74 129.22 1u68 s LYS 100 Ca -0.09 -2.54 0.35 0.00 0.02 0.00 0.00 55.97 53.72 1u68 s LYS 100 Cb -0.12 -4.01 1.71 0.00 -0.52 0.00 0.00 37.83 34.88 1u68 s LYS 100 CO 0.02 -1.22 2.07 0.93 -0.92 0.00 0.00 175.35 176.22 1u68 h GLU 101 N 7.27 0.00 -2.00 1.68 5.08 -1.80 -2.67 114.58 122.13 1u68 h GLU 101 Ca 0.04 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.90 1u68 h GLU 101 Cb 0.98 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.83 1u68 h GLU 101 CO 0.73 0.00 -1.08 0.09 -1.00 0.00 0.00 179.01 177.75 1u68 n ASN 102 N -2.90 1.63 -4.60 1.42 3.02 -1.26 -4.32 115.26 108.25 1u68 n ASN 102 Ca -0.01 -3.14 -0.29 0.00 -0.03 0.00 0.00 54.58 51.11 1u68 n ASN 102 Cb 0.18 -0.60 0.16 0.00 -0.61 0.00 0.00 39.78 38.90 1u68 n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1u68 s PRO 103 N -2.68 0.77 0.00 3.52 0.04 -1.25 -4.87 135.00 130.53 1u68 s PRO 103 Ca 0.41 0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.63 1u68 s PRO 103 Cb 0.34 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 33.03 1u68 s PRO 103 CO -0.09 -2.43 1.75 -2.30 0.04 0.00 0.00 177.00 173.97 1u68 n PRO 104 N -3.91 0.89 -3.69 0.56 -0.02 -1.26 -4.80 135.00 122.77 1u68 n PRO 104 Ca 0.08 -0.19 -0.38 0.00 -2.02 0.00 0.00 63.50 60.99 1u68 n PRO 104 Cb 0.59 -1.33 -0.12 0.00 -0.02 0.00 0.00 33.50 32.62 1u68 n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u68 s ILE 105 N 0.86 4.36 -0.59 4.25 1.01 -1.26 -5.04 121.20 124.78 1u68 s ILE 105 Ca 0.12 -0.59 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 1u68 s ILE 105 Cb 0.06 -3.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.19 1u68 s ILE 105 CO 0.00 0.02 2.29 -2.84 0.00 0.00 0.00 174.94 174.41 1u68 s PRO 106 N 1.56 2.12 0.00 2.79 0.02 -1.26 -4.80 135.00 135.43 1u68 s PRO 106 Ca 0.03 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.04 1u68 s PRO 106 Cb -0.17 -4.62 0.00 0.00 0.02 0.00 0.00 34.50 29.73 1u68 s PRO 106 CO 0.05 -3.42 0.00 0.41 -0.33 0.00 0.00 177.00 173.71 1u68 n GLY 107 N 6.16 -0.89 3.23 0.52 0.00 -1.26 -5.11 105.19 107.83 1u68 n GLY 107 Ca 0.36 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 1u68 n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u68 s HIS 108 N -2.00 3.18 0.18 1.61 3.76 -1.26 -5.07 115.29 115.69 1u68 s HIS 108 Ca 0.00 -1.54 -0.19 0.00 -0.15 0.00 0.00 55.06 53.18 1u68 s HIS 108 Cb 0.00 -2.14 0.04 0.00 1.11 0.00 0.00 32.58 31.59 1u68 s HIS 108 CO 0.00 -0.73 0.54 1.52 -0.85 0.00 0.00 174.74 175.23 1u68 s TYR 109 N 1.34 -0.26 -0.24 1.40 -0.85 -1.26 -5.06 117.35 112.43 1u68 s TYR 109 Ca -0.02 -0.05 0.19 0.00 -0.52 0.00 0.00 57.07 56.67 1u68 s TYR 109 Cb -0.18 0.45 0.08 0.00 0.38 0.00 0.00 41.96 42.68 1u68 s TYR 109 CO -0.01 -0.90 1.27 -0.44 -1.52 0.00 0.00 175.55 173.96 1u68 h ASP 110 N 2.15 0.00 -0.25 -0.18 3.32 -1.98 -3.50 116.42 115.99 1u68 h ASP 110 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1u68 h ASP 110 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1u68 h ASP 110 CO 0.38 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.80 1u68 n GLY 111 N 1.22 2.40 3.12 2.75 0.00 -1.26 -4.59 105.19 108.83 1u68 n GLY 111 Ca -0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1u68 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u68 s VAL 112 N -2.00 0.69 0.00 1.61 -7.23 -1.01 -4.96 120.40 107.50 1u68 s VAL 112 Ca 0.00 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1u68 s VAL 112 Cb 0.00 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1u68 s VAL 112 CO 0.00 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 1u68 n GLY 113 N 0.91 0.52 3.10 2.32 0.00 -1.26 -0.09 105.19 110.69 1u68 n GLY 113 Ca -0.19 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 1u68 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u68 s ILE 114 N -2.02 0.21 -0.05 -0.61 -5.25 -0.85 -5.02 121.20 107.61 1u68 s ILE 114 Ca 0.00 -1.78 -0.02 0.00 -0.99 0.00 0.00 60.65 57.85 1u68 s ILE 114 Cb 0.00 -1.55 0.03 0.00 2.95 0.00 0.00 42.46 43.89 1u68 s ILE 114 CO 0.00 -0.94 0.11 -0.70 -1.79 0.00 0.00 174.94 171.62 1u68 s GLU 115 N -3.93 0.07 0.12 0.37 2.12 -1.26 -1.61 118.70 114.58 1u68 s GLU 115 Ca 0.08 0.26 0.07 0.00 0.36 0.00 0.00 54.97 55.74 1u68 s GLU 115 Cb 0.08 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 1u68 s GLU 115 CO -0.09 -0.12 -0.16 0.96 -0.54 0.00 0.00 175.26 175.30 1u68 s ILE 116 N 0.83 1.48 -0.07 -3.70 -4.36 -0.21 -4.98 121.20 110.18 1u68 s ILE 116 Ca -0.06 -1.64 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 1u68 s ILE 116 Cb -0.09 -1.51 0.01 0.00 1.25 0.00 0.00 42.46 42.12 1u68 s ILE 116 CO -0.04 -0.28 -0.13 -0.69 0.24 0.00 0.00 174.94 174.05 1u68 s VAL 117 N -1.73 1.18 -0.12 8.37 1.01 -1.26 -0.58 120.40 127.27 1u68 s VAL 117 Ca 0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1u68 s VAL 117 Cb -0.07 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1u68 s VAL 117 CO 0.04 0.37 -0.02 -0.13 0.00 0.00 0.00 175.10 175.35 1u68 s ARG 118 N 0.73 1.02 0.40 2.72 1.81 0.38 -4.98 118.95 121.02 1u68 s ARG 118 Ca -0.13 -0.18 -0.23 0.00 -1.72 0.00 0.00 55.73 53.47 1u68 s ARG 118 Cb -0.16 -1.49 -0.09 0.00 -0.45 0.00 0.00 34.95 32.76 1u68 s ARG 118 CO 0.03 -0.36 1.01 -1.83 -0.68 0.00 0.00 175.30 173.47 1u68 s GLU 119 N 1.82 4.19 -0.20 3.54 -1.05 -1.26 -0.15 118.70 125.59 1u68 s GLU 119 Ca 0.03 1.39 -0.27 0.00 -0.15 0.00 0.00 54.97 55.98 1u68 s GLU 119 Cb -0.14 -2.46 -0.00 0.00 -0.44 0.00 0.00 34.13 31.09 1u68 s GLU 119 CO -0.07 -0.09 0.93 1.21 0.95 0.00 0.00 175.26 178.18 1u68 s ASN 120 N -1.74 7.02 0.00 0.83 3.84 0.06 -4.89 114.94 120.06 1u68 s ASN 120 Ca 0.59 1.26 0.28 0.00 0.21 0.00 0.00 52.86 55.19 1u68 s ASN 120 Cb -0.18 -2.49 0.95 0.00 -0.55 0.00 0.00 41.25 38.98 1u68 s ASN 120 CO 0.23 -0.53 1.69 0.29 -2.79 0.00 0.00 177.10 176.00