#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nm3 n GLN 2 N 0.00 2.03 -2.49 2.12 6.02 -1.26 -5.02 117.38 118.78 2nm3 n GLN 2 Ca 0.00 -1.62 -0.39 0.00 -0.01 0.00 0.00 57.00 54.98 2nm3 n GLN 2 Cb 0.00 -1.19 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 2nm3 n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2nm3 s ASP 3 N -0.90 7.02 0.08 1.08 1.01 -1.26 -5.04 116.67 118.65 2nm3 s ASP 3 Ca 0.15 2.19 0.01 0.00 0.71 0.00 0.00 52.55 55.61 2nm3 s ASP 3 Cb 0.08 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2nm3 s ASP 3 CO 0.11 -0.31 -0.05 0.42 0.21 0.00 0.00 175.17 175.55 2nm3 s THR 4 N -1.36 0.51 -0.16 -1.27 -4.23 -1.26 -2.99 115.64 104.87 2nm3 s THR 4 Ca 0.50 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2nm3 s THR 4 Cb -0.28 -1.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 2nm3 s THR 4 CO 0.36 -0.89 -0.09 -0.63 -0.54 0.00 0.00 174.62 172.83 2nm3 s ILE 5 N -3.60 3.32 0.09 2.99 1.01 0.04 -4.92 121.20 120.13 2nm3 s ILE 5 Ca 0.09 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.24 2nm3 s ILE 5 Cb 0.05 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 2nm3 s ILE 5 CO -0.06 0.49 -0.15 0.72 0.00 0.00 0.00 174.94 175.94 2nm3 s PHE 6 N 0.65 1.32 -0.13 3.97 -0.12 -1.26 -0.35 117.98 122.06 2nm3 s PHE 6 Ca -0.05 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 56.33 2nm3 s PHE 6 Cb -0.15 -0.72 0.03 0.00 -0.63 0.00 0.00 43.02 41.55 2nm3 s PHE 6 CO 0.02 0.10 -0.08 -0.51 -0.05 0.00 0.00 175.22 174.70 2nm3 s LEU 7 N -2.01 1.31 -0.09 -1.99 1.02 0.12 -5.00 118.68 112.04 2nm3 s LEU 7 Ca 0.02 -0.38 0.04 0.00 0.02 0.00 0.00 54.13 53.83 2nm3 s LEU 7 Cb -0.08 -0.90 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 2nm3 s LEU 7 CO 0.03 -0.12 -0.22 -0.54 0.02 0.00 0.00 176.35 175.52 2nm3 s LYS 8 N 1.67 2.94 -1.37 1.70 1.02 -1.26 -0.42 119.74 124.02 2nm3 s LYS 8 Ca 0.04 -0.84 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 2nm3 s LYS 8 Cb -0.13 -2.33 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 2nm3 s LYS 8 CO -0.08 0.27 0.62 0.41 -0.92 0.00 0.00 175.35 175.64 2nm3 n GLY 9 N 3.30 -0.39 3.75 -3.33 0.00 -1.14 -4.97 105.19 102.40 2nm3 n GLY 9 Ca -0.18 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2nm3 n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nm3 s MET 10 N -5.66 4.22 -0.10 1.61 -1.94 -0.18 -4.68 119.30 112.56 2nm3 s MET 10 Ca 0.31 2.40 0.04 0.00 -1.71 0.00 0.00 55.69 56.72 2nm3 s MET 10 Cb -0.14 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.63 2nm3 s MET 10 CO 0.38 -0.49 -0.22 1.03 -0.01 0.00 0.00 175.02 175.71 2nm3 s ARG 11 N -0.41 2.86 -0.01 2.03 0.52 -1.26 0.89 118.95 123.57 2nm3 s ARG 11 Ca 0.61 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2nm3 s ARG 11 Cb -0.44 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 2nm3 s ARG 11 CO 0.45 0.15 -0.13 -0.06 0.02 0.00 0.00 175.30 175.73 2nm3 s PHE 12 N 0.40 1.20 -0.24 -0.53 0.40 -0.31 -4.96 117.98 113.94 2nm3 s PHE 12 Ca -0.18 -0.24 -0.20 0.00 -0.60 0.00 0.00 56.93 55.71 2nm3 s PHE 12 Cb -0.18 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.57 2nm3 s PHE 12 CO 0.08 -0.01 0.63 -0.47 0.70 0.00 0.00 175.22 176.14 2nm3 s TYR 13 N -0.36 3.30 0.28 0.36 6.14 -1.26 -0.14 117.35 125.66 2nm3 s TYR 13 Ca 0.05 0.83 0.02 0.00 0.64 0.00 0.00 57.07 58.61 2nm3 s TYR 13 Cb -0.05 -2.83 -0.05 0.00 0.42 0.00 0.00 41.96 39.45 2nm3 s TYR 13 CO -0.00 -0.29 0.11 0.20 0.64 0.00 0.00 175.55 176.21 2nm3 s GLY 14 N 1.42 1.85 -0.10 8.97 0.00 -0.40 -4.81 107.32 114.25 2nm3 s GLY 14 Ca 0.26 -1.82 0.14 0.00 0.00 0.00 0.00 44.72 43.31 2nm3 s GLY 14 CO 0.09 -1.60 1.15 -1.72 0.00 0.00 0.00 173.10 171.01 2nm3 n TYR 15 N -0.51 0.11 -1.74 1.90 4.02 -1.26 -0.85 117.16 118.83 2nm3 n TYR 15 Ca 0.00 -0.87 -0.35 0.00 -0.01 0.00 0.00 57.90 56.67 2nm3 n TYR 15 Cb 0.66 -0.14 0.06 0.00 -0.02 0.00 0.00 39.34 39.90 2nm3 n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2nm3 s HIS 16 N -2.42 2.25 0.00 -0.72 3.76 -1.26 -3.95 115.29 112.95 2nm3 s HIS 16 Ca 0.26 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.72 2nm3 s HIS 16 Cb 0.22 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.44 2nm3 s HIS 16 CO 0.03 -2.39 0.00 0.41 -0.85 0.00 0.00 174.74 171.95 2nm3 n GLY 17 N 0.40 4.47 0.45 -2.22 0.00 0.19 -4.66 105.19 103.82 2nm3 n GLY 17 Ca 0.13 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 2nm3 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nm3 h ALA 18 N 0.00 -0.95 -2.91 4.61 0.00 -1.70 -3.42 119.26 114.90 2nm3 h ALA 18 Ca 0.00 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 2nm3 h ALA 18 Cb 0.00 0.66 0.09 0.00 0.00 0.00 0.00 17.79 18.54 2nm3 h ALA 18 CO 0.00 -1.08 0.68 -1.17 0.00 0.00 0.00 179.25 177.68 2nm3 s LEU 19 N -10.18 4.32 -0.01 0.00 0.20 -1.26 -4.95 118.68 106.81 2nm3 s LEU 19 Ca -0.17 2.80 -0.22 0.00 0.69 0.00 0.00 54.13 57.23 2nm3 s LEU 19 Cb 0.05 -3.74 -0.21 0.00 -0.43 0.00 0.00 46.19 41.87 2nm3 s LEU 19 CO 0.62 -0.76 1.14 0.77 -0.29 0.00 0.00 176.35 177.83 2nm3 h SER 20 N 3.02 0.36 -0.49 3.68 4.64 -2.00 -2.45 113.55 120.31 2nm3 h SER 20 Ca -0.50 -0.68 0.11 0.00 -0.47 0.00 0.00 61.79 60.25 2nm3 h SER 20 Cb 1.24 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2nm3 h SER 20 CO 0.64 0.99 0.34 0.00 -0.87 0.00 0.00 176.83 177.93 2nm3 h ALA 21 N 0.38 2.19 -0.70 5.18 0.00 -1.97 0.50 119.26 124.85 2nm3 h ALA 21 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2nm3 h ALA 21 Cb 0.99 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2nm3 h ALA 21 CO 0.06 -0.31 0.38 1.49 0.00 0.00 0.00 179.25 180.87 2nm3 h GLU 22 N 0.20 0.98 -0.15 0.00 4.81 -1.91 -0.59 114.58 117.92 2nm3 h GLU 22 Ca 0.23 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 2nm3 h GLU 22 Cb 0.64 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2nm3 h GLU 22 CO -0.04 0.74 -0.49 -0.91 -0.73 0.00 0.00 179.01 177.57 2nm3 h ASN 23 N 0.96 0.43 0.58 1.04 4.21 0.20 -0.39 115.58 122.61 2nm3 h ASN 23 Ca 0.24 -0.21 -0.03 0.00 1.21 0.00 0.00 56.30 57.52 2nm3 h ASN 23 Cb 0.05 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 2nm3 h ASN 23 CO -0.04 0.85 -0.30 -0.08 -1.29 0.00 0.00 177.43 176.57 2nm3 h GLU 24 N 0.31 -0.78 -0.15 0.81 4.81 0.26 -3.34 114.58 116.50 2nm3 h GLU 24 Ca 0.01 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2nm3 h GLU 24 Cb 0.98 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 2nm3 h GLU 24 CO 0.08 -0.52 -0.07 0.82 -0.73 0.00 0.00 179.01 178.60 2nm3 h ILE 25 N -0.81 1.31 0.00 2.32 2.04 -1.17 -3.50 117.51 117.69 2nm3 h ILE 25 Ca -0.08 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2nm3 h ILE 25 Cb 0.63 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2nm3 h ILE 25 CO 0.12 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.20 2nm3 n GLY 26 N -0.03 -1.06 3.83 5.37 0.00 -0.16 -4.99 105.19 108.16 2nm3 n GLY 26 Ca -0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 2nm3 n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2nm3 s GLN 27 N -1.10 1.13 -0.06 1.61 -2.07 -0.03 -4.98 119.66 114.15 2nm3 s GLN 27 Ca 0.00 -0.70 -0.19 0.00 -1.82 0.00 0.00 55.36 52.66 2nm3 s GLN 27 Cb 0.00 0.34 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 2nm3 s GLN 27 CO 0.00 -0.52 0.52 0.42 -1.32 0.00 0.00 175.29 174.39 2nm3 s ILE 28 N -2.46 5.07 -0.13 3.63 -1.09 -1.26 -1.28 121.20 123.68 2nm3 s ILE 28 Ca 0.19 1.07 -0.02 0.00 -2.23 0.00 0.00 60.65 59.66 2nm3 s ILE 28 Cb -0.01 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 2nm3 s ILE 28 CO 0.03 0.38 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.70 2nm3 s PHE 29 N 0.16 2.96 -0.15 3.97 0.40 0.80 -4.46 117.98 121.66 2nm3 s PHE 29 Ca 0.28 -0.28 -0.05 0.00 -0.60 0.00 0.00 56.93 56.29 2nm3 s PHE 29 Cb -0.16 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 2nm3 s PHE 29 CO 0.13 0.03 0.01 0.21 0.70 0.00 0.00 175.22 176.31 2nm3 s LYS 30 N 0.02 3.63 -0.05 0.44 2.20 -0.69 -1.16 119.74 124.13 2nm3 s LYS 30 Ca -0.01 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2nm3 s LYS 30 Cb -0.14 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.18 2nm3 s LYS 30 CO 0.03 0.38 -0.12 0.08 -0.36 0.00 0.00 175.35 175.36 2nm3 s VAL 31 N 0.03 1.06 -0.13 4.02 1.01 0.26 -1.21 120.40 125.44 2nm3 s VAL 31 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2nm3 s VAL 31 Cb -0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2nm3 s VAL 31 CO 0.02 0.33 -0.04 -1.81 0.00 0.00 0.00 175.10 173.60 2nm3 s ASP 32 N 0.53 4.81 -0.07 3.32 1.01 -0.02 -1.02 116.67 125.22 2nm3 s ASP 32 Ca -0.11 -0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.08 2nm3 s ASP 32 Cb -0.14 -1.61 0.02 0.00 1.01 0.00 0.00 42.92 42.20 2nm3 s ASP 32 CO 0.03 0.24 -0.08 -0.69 0.21 0.00 0.00 175.17 174.88 2nm3 s VAL 33 N -0.05 0.89 -0.11 -1.27 1.01 0.44 -1.43 120.40 119.88 2nm3 s VAL 33 Ca 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2nm3 s VAL 33 Cb -0.13 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2nm3 s VAL 33 CO 0.03 0.32 -0.17 -0.89 0.00 0.00 0.00 175.10 174.38 2nm3 s THR 34 N 1.13 1.64 -0.14 3.92 2.01 -0.76 0.12 115.64 123.57 2nm3 s THR 34 Ca -0.07 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.20 2nm3 s THR 34 Cb -0.14 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2nm3 s THR 34 CO -0.01 0.47 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.47 2nm3 s LEU 35 N 0.87 2.50 -0.58 4.42 1.43 0.52 -0.62 118.68 127.22 2nm3 s LEU 35 Ca -0.08 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 2nm3 s LEU 35 Cb -0.15 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.56 2nm3 s LEU 35 CO -0.00 0.11 0.90 -0.75 0.23 0.00 0.00 176.35 176.84 2nm3 s LYS 36 N 0.64 3.22 0.00 1.70 2.20 -0.44 -0.78 119.74 126.28 2nm3 s LYS 36 Ca -0.08 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2nm3 s LYS 36 Cb -0.16 -4.13 -0.01 0.00 -1.51 0.00 0.00 37.83 32.03 2nm3 s LYS 36 CO 0.03 -1.56 -0.12 0.08 -0.36 0.00 0.00 175.35 173.42 2nm3 s VAL 37 N 3.76 0.92 -0.26 4.02 1.01 -1.16 -0.42 120.40 128.27 2nm3 s VAL 37 Ca 0.25 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 2nm3 s VAL 37 Cb -0.15 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 2nm3 s VAL 37 CO 0.15 0.19 0.84 -0.62 0.00 0.00 0.00 175.10 175.66 2nm3 s ASP 38 N -0.46 6.81 0.00 3.32 -1.08 -1.26 -4.29 116.67 119.70 2nm3 s ASP 38 Ca 0.03 0.96 0.22 0.00 -0.52 0.00 0.00 52.55 53.24 2nm3 s ASP 38 Cb -0.05 -2.44 0.08 0.00 -1.46 0.00 0.00 42.92 39.05 2nm3 s ASP 38 CO -0.00 -0.57 1.13 0.18 0.52 0.00 0.00 175.17 176.43 2nm3 n LEU 39 N 6.12 2.41 0.24 -1.34 4.77 -1.26 -4.54 117.00 123.39 2nm3 n LEU 39 Ca 0.06 -0.87 0.16 0.00 -0.03 0.00 0.00 56.01 55.33 2nm3 n LEU 39 Cb 0.48 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.22 2nm3 n LEU 39 CO 0.49 0.42 0.96 0.77 -1.33 0.00 0.00 177.39 178.71 2nm3 h SER 40 N 3.34 0.00 0.09 -1.43 4.64 -1.96 0.26 113.55 118.48 2nm3 h SER 40 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nm3 h SER 40 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2nm3 h SER 40 CO 0.00 0.00 -0.04 -0.08 -0.87 0.00 0.00 176.83 175.84 2nm3 h GLU 41 N 0.00 -0.11 -0.09 4.77 4.57 -1.90 0.04 114.58 121.86 2nm3 h GLU 41 Ca 0.00 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2nm3 h GLU 41 Cb 0.45 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2nm3 h GLU 41 CO 0.00 0.43 0.06 0.00 -1.18 0.00 0.00 179.01 178.32 2nm3 h ALA 42 N -0.12 2.07 -0.02 2.92 0.00 -1.71 0.42 119.26 122.83 2nm3 h ALA 42 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2nm3 h ALA 42 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2nm3 h ALA 42 CO 0.02 -0.09 -0.22 0.78 0.00 0.00 0.00 179.25 179.73 2nm3 h GLY 43 N 0.01 0.03 0.00 0.00 0.00 -0.81 0.13 103.07 102.43 2nm3 h GLY 43 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2nm3 h GLY 43 CO -0.00 0.02 -0.11 -0.09 0.00 0.00 0.00 176.54 176.35 2nm3 h ARG 44 N 0.02 0.00 0.00 4.80 2.43 0.16 -3.39 114.38 118.40 2nm3 h ARG 44 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2nm3 h ARG 44 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2nm3 h ARG 44 CO 0.03 0.74 -0.61 1.79 -1.51 0.00 0.00 179.97 180.41 2nm3 h THR 45 N -1.00 0.00 -4.44 0.20 1.35 -0.39 -3.48 112.91 105.16 2nm3 h THR 45 Ca -0.03 -0.53 -0.33 0.00 -0.55 0.00 0.00 66.41 64.97 2nm3 h THR 45 Cb 0.78 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 2nm3 h THR 45 CO -0.02 0.00 -0.46 -0.67 -0.25 0.00 0.00 175.52 174.12 2nm3 n ASP 46 N -2.18 -4.37 -4.38 5.36 2.03 0.44 -4.96 116.55 108.49 2nm3 n ASP 46 Ca 0.03 -0.10 -0.33 0.00 0.52 0.00 0.00 54.79 54.91 2nm3 n ASP 46 Cb 0.45 -3.63 -0.14 0.00 -0.72 0.00 0.00 41.12 37.07 2nm3 n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2nm3 s ASN 47 N -2.38 4.16 0.42 1.67 3.84 -1.26 -5.02 114.94 116.36 2nm3 s ASN 47 Ca 0.19 -0.31 0.19 0.00 0.21 0.00 0.00 52.86 53.14 2nm3 s ASN 47 Cb -0.10 -1.65 0.93 0.00 -0.55 0.00 0.00 41.25 39.89 2nm3 s ASN 47 CO 0.23 0.14 1.87 1.62 -2.79 0.00 0.00 177.10 178.18 2nm3 h VAL 48 N 5.40 0.93 0.00 -5.21 3.04 -1.93 -2.10 116.25 116.38 2nm3 h VAL 48 Ca -0.28 -1.11 -0.00 0.00 -1.01 0.00 0.00 66.70 64.29 2nm3 h VAL 48 Cb 1.20 1.65 -0.00 0.00 -2.01 0.00 0.00 31.29 32.13 2nm3 h VAL 48 CO 0.57 0.28 -0.02 -0.29 -1.01 0.00 0.00 177.57 177.11 2nm3 h ILE 49 N 0.00 0.14 -0.04 3.17 2.10 -2.01 -1.14 117.51 119.74 2nm3 h ILE 49 Ca -0.00 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2nm3 h ILE 49 Cb 0.63 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 2nm3 h ILE 49 CO 0.04 0.02 0.00 0.47 -1.08 0.00 0.00 178.15 177.59 2nm3 n ASP 50 N -3.25 0.80 -3.35 2.19 8.00 -0.79 -4.90 116.55 115.25 2nm3 n ASP 50 Ca -0.02 -1.39 -0.19 0.00 0.71 0.00 0.00 54.79 53.90 2nm3 n ASP 50 Cb 0.14 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.14 2nm3 n ASP 50 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2nm3 s THR 51 N -1.95 0.00 -0.23 -3.53 -1.32 -0.43 -4.16 115.64 104.03 2nm3 s THR 51 Ca 0.37 -1.95 -0.11 0.00 -1.21 0.00 0.00 61.69 58.79 2nm3 s THR 51 Cb 0.19 -2.52 -0.05 0.00 -1.51 0.00 0.00 72.50 68.61 2nm3 s THR 51 CO 0.30 0.00 0.19 -0.69 -2.21 0.00 0.00 174.62 172.22 2nm3 s VAL 52 N -3.40 5.34 -0.19 5.08 1.01 -1.26 -4.98 120.40 122.01 2nm3 s VAL 52 Ca 0.39 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 2nm3 s VAL 52 Cb 0.02 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2nm3 s VAL 52 CO 0.27 0.35 1.82 -2.28 0.00 0.00 0.00 175.10 175.25 2nm3 s HIS 53 N 0.97 1.74 0.17 5.22 2.46 -1.26 -4.86 115.29 119.72 2nm3 s HIS 53 Ca 0.09 0.39 0.26 0.00 0.47 0.00 0.00 55.06 56.28 2nm3 s HIS 53 Cb -0.13 -4.03 1.08 0.00 -0.13 0.00 0.00 32.58 29.37 2nm3 s HIS 53 CO 0.04 -3.61 1.89 0.10 -2.47 0.00 0.00 174.74 170.69 2nm3 h TYR 54 N 11.85 0.00 0.33 3.88 -0.00 -1.99 -2.11 116.97 128.93 2nm3 h TYR 54 Ca -0.38 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.34 2nm3 h TYR 54 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 2nm3 h TYR 54 CO 0.93 0.17 -0.16 0.78 -0.00 0.00 0.00 178.16 179.88 2nm3 h GLY 55 N 1.90 -0.47 1.04 0.10 0.00 -2.01 -1.78 103.07 101.86 2nm3 h GLY 55 Ca -0.00 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.56 2nm3 h GLY 55 CO 0.02 -0.17 0.48 0.83 0.00 0.00 0.00 176.54 177.70 2nm3 h GLU 56 N -0.56 0.73 -0.81 4.80 5.08 -1.90 -1.50 114.58 120.41 2nm3 h GLU 56 Ca -0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2nm3 h GLU 56 Cb 0.41 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2nm3 h GLU 56 CO 0.07 0.48 0.54 0.28 -1.00 0.00 0.00 179.01 179.38 2nm3 h VAL 57 N 0.75 1.19 -0.83 3.13 2.07 -0.97 -2.54 116.25 119.05 2nm3 h VAL 57 Ca 0.31 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2nm3 h VAL 57 Cb 0.26 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2nm3 h VAL 57 CO -0.10 0.20 0.37 0.15 0.02 0.00 0.00 177.57 178.20 2nm3 h PHE 58 N 1.08 1.23 -0.46 1.57 3.57 -0.41 -2.01 116.94 121.52 2nm3 h PHE 58 Ca 0.31 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 2nm3 h PHE 58 Cb -0.09 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.25 2nm3 h PHE 58 CO -0.02 0.90 0.12 0.93 -2.23 0.00 0.00 178.31 178.01 2nm3 h GLU 59 N 1.20 0.69 -0.47 1.11 4.39 -1.26 -0.36 114.58 119.87 2nm3 h GLU 59 Ca 0.28 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2nm3 h GLU 59 Cb 0.17 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2nm3 h GLU 59 CO -0.03 0.62 0.26 0.93 -1.16 0.00 0.00 179.01 179.63 2nm3 h GLU 60 N 0.67 0.65 -0.13 2.33 4.39 -1.09 -0.96 114.58 120.45 2nm3 h GLU 60 Ca 0.15 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2nm3 h GLU 60 Cb 0.25 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2nm3 h GLU 60 CO -0.00 0.52 0.04 0.28 -1.16 0.00 0.00 179.01 178.68 2nm3 h VAL 61 N 0.62 1.19 -0.77 3.13 2.07 -0.69 -2.89 116.25 118.91 2nm3 h VAL 61 Ca 0.16 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2nm3 h VAL 61 Cb 0.05 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2nm3 h VAL 61 CO -0.03 0.18 0.45 0.50 0.02 0.00 0.00 177.57 178.69 2nm3 h LYS 62 N 0.02 0.78 -0.58 1.57 3.64 -0.97 0.01 116.57 121.06 2nm3 h LYS 62 Ca 0.04 -0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2nm3 h LYS 62 Cb 0.24 -0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 31.79 2nm3 h LYS 62 CO -0.00 0.52 -0.01 0.77 -2.27 0.00 0.00 179.45 178.46 2nm3 h SER 63 N 0.81 -0.28 -0.01 4.20 0.02 -0.99 0.42 113.55 117.73 2nm3 h SER 63 Ca 0.35 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.43 2nm3 h SER 63 Cb 0.22 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2nm3 h SER 63 CO -0.19 -0.11 -0.03 0.40 -1.14 0.00 0.00 176.83 175.76 2nm3 h ILE 64 N 0.11 1.47 -0.22 3.27 2.04 -1.23 -2.16 117.51 120.79 2nm3 h ILE 64 Ca 0.30 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 2nm3 h ILE 64 Cb 0.47 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2nm3 h ILE 64 CO -0.50 0.37 -0.21 0.24 0.00 0.00 0.00 178.15 178.05 2nm3 h MET 65 N -0.55 0.39 -0.82 2.37 2.86 -0.69 -1.70 114.93 116.79 2nm3 h MET 65 Ca -0.00 -0.13 -0.34 0.00 -2.06 0.00 0.00 59.70 57.17 2nm3 h MET 65 Cb 0.62 -0.03 -0.20 0.00 0.06 0.00 0.00 31.60 32.04 2nm3 h MET 65 CO 0.01 0.59 0.41 0.39 1.06 0.00 0.00 176.91 179.37 2nm3 n GLU 66 N -4.16 2.94 -2.28 1.72 1.02 0.15 -4.63 120.64 115.40 2nm3 n GLU 66 Ca -0.00 -3.06 -0.10 0.00 -0.02 0.00 0.00 57.16 53.97 2nm3 n GLU 66 Cb 0.36 -2.17 0.01 0.00 -0.02 0.00 0.00 31.44 29.62 2nm3 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nm3 n GLY 67 N -0.67 2.60 3.52 0.62 0.00 -0.64 -4.93 105.19 105.69 2nm3 n GLY 67 Ca 0.49 -2.21 -0.55 0.00 0.00 0.00 0.00 46.02 43.75 2nm3 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2nm3 n LYS 68 N -1.21 0.37 -1.68 1.61 4.81 -1.26 -4.82 118.16 115.98 2nm3 n LYS 68 Ca 0.02 0.13 -0.44 0.00 -0.87 0.00 0.00 58.31 57.15 2nm3 n LYS 68 Cb 0.26 -1.60 -0.04 0.00 0.02 0.00 0.00 35.03 33.68 2nm3 n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2nm3 n ALA 69 N 1.52 1.69 -2.50 3.14 0.00 -1.26 -4.93 120.51 118.17 2nm3 n ALA 69 Ca 0.19 0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 2nm3 n ALA 69 Cb 0.14 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.96 2nm3 n ALA 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2nm3 s VAL 70 N 3.07 2.09 -0.12 0.00 -7.23 -1.26 -4.94 120.40 112.00 2nm3 s VAL 70 Ca 0.85 -1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 58.96 2nm3 s VAL 70 Cb -0.55 -2.86 -0.25 0.00 0.56 0.00 0.00 36.38 33.28 2nm3 s VAL 70 CO 0.41 0.00 0.85 0.78 -0.31 0.00 0.00 175.10 176.83 2nm3 h ASN 71 N 1.45 -0.00 -3.78 4.85 -0.26 -1.94 0.56 115.58 116.45 2nm3 h ASN 71 Ca -0.43 -0.89 -0.68 0.00 -0.56 0.00 0.00 56.30 53.75 2nm3 h ASN 71 Cb 1.26 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 38.33 2nm3 h ASN 71 CO 0.72 0.89 -0.77 -0.76 -1.06 0.00 0.00 177.43 176.45 2nm3 s LEU 72 N -8.41 2.80 0.35 1.61 1.43 -1.26 -2.19 118.68 113.00 2nm3 s LEU 72 Ca -0.18 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2nm3 s LEU 72 Cb -0.02 -1.64 0.63 0.00 0.03 0.00 0.00 46.19 45.20 2nm3 s LEU 72 CO 0.67 0.23 1.96 -0.07 0.23 0.00 0.00 176.35 179.37 2nm3 h LEU 73 N 4.18 0.63 -0.62 1.79 3.38 -1.98 -1.75 115.31 120.94 2nm3 h LEU 73 Ca -0.48 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.49 2nm3 h LEU 73 Cb 1.16 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2nm3 h LEU 73 CO 0.49 0.54 0.32 -0.33 0.09 0.00 0.00 178.44 179.55 2nm3 h GLU 74 N 0.71 0.58 -0.43 1.13 3.07 -1.97 -1.07 114.58 116.59 2nm3 h GLU 74 Ca 0.18 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.87 2nm3 h GLU 74 Cb 0.07 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2nm3 h GLU 74 CO -0.03 0.38 -0.26 1.25 -1.40 0.00 0.00 179.01 178.96 2nm3 h HIS 75 N 0.60 1.06 -0.46 4.33 2.76 -1.88 -1.83 115.15 119.73 2nm3 h HIS 75 Ca 0.28 -0.27 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2nm3 h HIS 75 Cb 0.21 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2nm3 h HIS 75 CO -0.10 1.07 0.18 -0.07 -1.30 0.00 0.00 177.93 177.71 2nm3 h LEU 76 N 0.78 0.64 -0.74 0.26 3.38 -0.77 -2.23 115.31 116.64 2nm3 h LEU 76 Ca 0.09 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2nm3 h LEU 76 Cb 0.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2nm3 h LEU 76 CO 0.07 0.63 -0.33 0.00 0.09 0.00 0.00 178.44 178.91 2nm3 h ALA 77 N 1.03 0.91 -0.50 1.53 0.00 -1.21 -2.23 119.26 118.78 2nm3 h ALA 77 Ca 0.15 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2nm3 h ALA 77 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2nm3 h ALA 77 CO -0.01 0.62 0.30 1.49 0.00 0.00 0.00 179.25 181.65 2nm3 h GLU 78 N 0.51 0.69 -0.05 0.00 4.57 -1.08 -0.91 114.58 118.30 2nm3 h GLU 78 Ca 0.06 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 2nm3 h GLU 78 Cb 0.81 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2nm3 h GLU 78 CO 0.07 0.51 -0.52 0.00 -1.18 0.00 0.00 179.01 177.89 2nm3 h ARG 79 N 0.67 0.13 -0.26 1.92 3.08 -1.25 -1.81 114.38 116.85 2nm3 h ARG 79 Ca 0.18 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 2nm3 h ARG 79 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2nm3 h ARG 79 CO -0.03 0.62 -0.06 0.82 -1.07 0.00 0.00 179.97 180.24 2nm3 h ILE 80 N 0.10 1.28 -0.74 2.04 2.04 -1.14 -1.89 117.51 119.20 2nm3 h ILE 80 Ca 0.00 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 2nm3 h ILE 80 Cb 0.95 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 2nm3 h ILE 80 CO 0.07 0.34 0.40 0.00 0.00 0.00 0.00 178.15 178.96 2nm3 h ALA 81 N 0.77 1.31 0.23 1.87 0.00 -0.99 -1.67 119.26 120.78 2nm3 h ALA 81 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2nm3 h ALA 81 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nm3 h ALA 81 CO 0.03 0.56 -0.11 -0.91 0.00 0.00 0.00 179.25 178.81 2nm3 h ASN 82 N 1.03 -0.27 -0.98 0.00 -0.26 -1.33 -0.91 115.58 112.88 2nm3 h ASN 82 Ca 0.26 -0.14 0.17 0.00 -0.56 0.00 0.00 56.30 56.03 2nm3 h ASN 82 Cb 0.04 0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 37.27 2nm3 h ASN 82 CO -0.04 -0.01 0.59 -0.09 -1.06 0.00 0.00 177.43 176.81 2nm3 h ARG 83 N -0.52 0.78 0.08 0.81 9.65 -1.13 0.13 114.38 124.18 2nm3 h ARG 83 Ca -0.03 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 58.64 2nm3 h ARG 83 Cb 0.39 -0.17 0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2nm3 h ARG 83 CO 0.05 0.51 -0.68 0.82 2.80 0.00 0.00 179.97 183.48 2nm3 h ILE 84 N 0.80 1.50 -0.25 1.20 2.04 -1.24 -2.30 117.51 119.25 2nm3 h ILE 84 Ca 0.54 -2.35 -0.09 0.00 1.00 0.00 0.00 64.86 63.96 2nm3 h ILE 84 Cb 0.76 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 2nm3 h ILE 84 CO -0.35 0.67 -0.21 0.78 0.00 0.00 0.00 178.15 179.04 2nm3 h ASN 85 N -0.32 0.46 0.20 1.72 2.35 -0.58 -1.78 115.58 117.63 2nm3 h ASN 85 Ca -0.11 -0.14 -0.17 0.00 -0.55 0.00 0.00 56.30 55.33 2nm3 h ASN 85 Cb 1.47 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.72 2nm3 h ASN 85 CO 0.13 0.68 -0.66 0.28 -1.65 0.00 0.00 177.43 176.21 2nm3 h SER 86 N 0.42 0.49 1.14 5.81 0.02 -0.84 -3.27 113.55 117.32 2nm3 h SER 86 Ca 0.07 -0.30 -0.17 0.00 -0.84 0.00 0.00 61.79 60.55 2nm3 h SER 86 Cb 0.60 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2nm3 h SER 86 CO 0.04 1.02 -0.80 -0.61 -1.14 0.00 0.00 176.83 175.33 2nm3 h GLN 87 N 0.31 0.00 -3.88 3.45 5.75 -1.14 -3.44 115.11 116.17 2nm3 h GLN 87 Ca -0.02 0.00 -0.59 0.00 -0.15 0.00 0.00 58.65 57.89 2nm3 h GLN 87 Cb 1.21 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.37 2nm3 h GLN 87 CO 0.11 0.80 -0.76 0.71 -2.65 0.00 0.00 178.83 177.05 2nm3 s TYR 88 N -2.86 2.04 0.47 3.99 2.02 -0.69 -4.99 117.35 117.33 2nm3 s TYR 88 Ca 0.02 -1.79 0.14 0.00 -0.37 0.00 0.00 57.07 55.07 2nm3 s TYR 88 Cb 0.09 -1.76 1.09 0.00 -0.40 0.00 0.00 41.96 40.99 2nm3 s TYR 88 CO 0.79 -0.83 2.07 -0.97 -1.57 0.00 0.00 175.55 175.04 2nm3 h ASN 89 N 8.02 0.07 0.94 2.29 -0.73 -1.85 -2.58 115.58 121.73 2nm3 h ASN 89 Ca -0.13 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.03 2nm3 h ASN 89 Cb 1.04 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.61 2nm3 h ASN 89 CO 0.45 0.13 0.00 0.03 -0.37 0.00 0.00 177.43 177.67 2nm3 h ARG 90 N 0.08 0.00 -6.39 6.67 3.08 -1.94 -3.42 114.38 112.47 2nm3 h ARG 90 Ca 0.02 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.50 2nm3 h ARG 90 Cb 0.13 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 2nm3 h ARG 90 CO 0.01 0.00 0.90 0.08 -1.07 0.00 0.00 179.97 179.88 2nm3 s VAL 91 N -3.69 4.34 0.13 2.04 1.01 -0.98 -4.45 120.40 118.81 2nm3 s VAL 91 Ca 0.01 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.55 2nm3 s VAL 91 Cb 0.09 -4.37 -0.19 0.00 0.00 0.00 0.00 36.38 31.91 2nm3 s VAL 91 CO 0.53 -0.56 1.31 0.24 0.00 0.00 0.00 175.10 176.61 2nm3 h MET 92 N 8.65 0.06 -2.18 2.72 2.86 -1.01 -3.40 114.93 122.64 2nm3 h MET 92 Ca -0.23 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.25 2nm3 h MET 92 Cb 1.07 0.03 -0.20 0.00 0.06 0.00 0.00 31.60 32.57 2nm3 h MET 92 CO 1.05 0.99 0.10 -2.00 1.06 0.00 0.00 176.91 178.10 2nm3 s GLU 93 N -2.85 0.95 -0.10 1.72 2.12 -1.20 -0.09 118.70 119.26 2nm3 s GLU 93 Ca -0.00 0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.63 2nm3 s GLU 93 Cb 0.10 0.45 0.01 0.00 0.26 0.00 0.00 34.13 34.95 2nm3 s GLU 93 CO 0.82 -0.27 -0.15 0.99 -0.54 0.00 0.00 175.26 176.11 2nm3 s THR 94 N -0.98 1.42 -0.12 -1.70 2.01 -0.48 -1.33 115.64 114.47 2nm3 s THR 94 Ca -0.10 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2nm3 s THR 94 Cb -0.01 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 2nm3 s THR 94 CO 0.08 0.42 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.56 2nm3 s LYS 95 N 0.86 3.26 -0.09 4.92 2.20 0.21 0.82 119.74 131.93 2nm3 s LYS 95 Ca -0.10 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2nm3 s LYS 95 Cb -0.15 -2.62 0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2nm3 s LYS 95 CO 0.01 0.29 -0.03 0.08 -0.36 0.00 0.00 175.35 175.34 2nm3 s VAL 96 N 0.15 0.66 -0.11 4.02 1.01 -0.25 -1.83 120.40 124.04 2nm3 s VAL 96 Ca -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2nm3 s VAL 96 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2nm3 s VAL 96 CO 0.05 0.30 -0.21 -0.60 0.00 0.00 0.00 175.10 174.64 2nm3 s ARG 97 N 1.78 2.82 -0.08 2.72 3.52 -0.52 -0.71 118.95 128.49 2nm3 s ARG 97 Ca 0.04 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 2nm3 s ARG 97 Cb -0.13 -2.23 0.02 0.00 -1.56 0.00 0.00 34.95 31.05 2nm3 s ARG 97 CO -0.06 0.06 -0.11 0.42 -0.81 0.00 0.00 175.30 174.79 2nm3 s ILE 98 N 0.65 1.14 -0.02 4.11 1.01 -0.92 -0.84 121.20 126.32 2nm3 s ILE 98 Ca -0.12 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.15 2nm3 s ILE 98 Cb -0.16 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 2nm3 s ILE 98 CO 0.03 0.36 -0.23 -0.89 0.00 0.00 0.00 174.94 174.21 2nm3 s THR 99 N 0.93 1.80 -0.40 2.92 2.01 -0.35 -1.84 115.64 120.72 2nm3 s THR 99 Ca -0.09 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 60.86 2nm3 s THR 99 Cb -0.15 -1.50 0.07 0.00 0.01 0.00 0.00 72.50 70.93 2nm3 s THR 99 CO 0.00 0.51 0.22 -0.54 -0.69 0.00 0.00 174.62 174.12 2nm3 s LYS 100 N -0.46 2.58 0.43 4.92 1.02 0.58 -1.71 119.74 127.11 2nm3 s LYS 100 Ca 0.07 -1.40 0.24 0.00 0.02 0.00 0.00 55.97 54.89 2nm3 s LYS 100 Cb -0.10 -3.70 0.68 0.00 -0.52 0.00 0.00 37.83 34.20 2nm3 s LYS 100 CO -0.00 -0.88 1.72 0.93 -0.92 0.00 0.00 175.35 176.20 2nm3 h GLU 101 N 8.35 0.00 -2.03 1.68 5.08 -1.78 -1.10 114.58 124.78 2nm3 h GLU 101 Ca -0.22 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.63 2nm3 h GLU 101 Cb 1.08 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.93 2nm3 h GLU 101 CO 0.71 0.19 -1.12 0.09 -1.00 0.00 0.00 179.01 177.88 2nm3 n ASN 102 N -3.23 1.13 -4.38 1.42 4.13 -1.26 -4.53 115.26 108.54 2nm3 n ASN 102 Ca 0.02 -3.03 -0.29 0.00 1.68 0.00 0.00 54.58 52.95 2nm3 n ASN 102 Cb 0.50 -0.62 0.16 0.00 -1.54 0.00 0.00 39.78 38.28 2nm3 n ASN 102 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2nm3 s PRO 103 N -2.32 0.71 0.00 3.52 0.04 -1.26 -4.91 135.00 130.77 2nm3 s PRO 103 Ca 0.40 -0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.34 2nm3 s PRO 103 Cb 0.31 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.96 2nm3 s PRO 103 CO -0.09 -2.42 1.88 -2.30 0.04 0.00 0.00 177.00 174.11 2nm3 n PRO 104 N -3.84 0.96 -3.81 0.56 -0.02 -1.26 -4.80 135.00 122.79 2nm3 n PRO 104 Ca 0.11 -0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 60.98 2nm3 n PRO 104 Cb 0.60 -1.39 -0.13 0.00 -0.02 0.00 0.00 33.50 32.56 2nm3 n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nm3 s ILE 105 N 0.91 3.57 -0.05 4.25 1.01 -1.26 -5.06 121.20 124.57 2nm3 s ILE 105 Ca 0.16 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 2nm3 s ILE 105 Cb 0.08 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 2nm3 s ILE 105 CO 0.00 -0.03 1.81 -2.84 0.00 0.00 0.00 174.94 173.88 2nm3 s PRO 106 N 1.40 4.05 0.00 2.79 0.02 -1.26 -4.79 135.00 137.20 2nm3 s PRO 106 Ca -0.01 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.30 2nm3 s PRO 106 Cb -0.18 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.25 2nm3 s PRO 106 CO 0.01 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 2nm3 n GLY 107 N 4.46 -1.03 3.14 0.52 0.00 -1.26 -5.11 105.19 105.91 2nm3 n GLY 107 Ca 0.19 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 2nm3 n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nm3 s HIS 108 N -1.98 3.29 0.32 1.61 3.76 -1.26 -5.09 115.29 115.93 2nm3 s HIS 108 Ca 0.00 -2.05 -0.14 0.00 -0.15 0.00 0.00 55.06 52.72 2nm3 s HIS 108 Cb 0.00 -2.10 0.02 0.00 1.11 0.00 0.00 32.58 31.61 2nm3 s HIS 108 CO 0.00 -0.83 0.65 1.52 -0.85 0.00 0.00 174.74 175.22 2nm3 s TYR 109 N 1.20 0.25 -0.13 1.40 -0.85 -1.26 -5.07 117.35 112.89 2nm3 s TYR 109 Ca -0.06 -0.72 0.10 0.00 -0.52 0.00 0.00 57.07 55.87 2nm3 s TYR 109 Cb -0.20 0.50 -0.23 0.00 0.38 0.00 0.00 41.96 42.41 2nm3 s TYR 109 CO -0.02 -1.27 0.33 -0.25 -1.52 0.00 0.00 175.55 172.81 2nm3 n ASP 110 N -0.91 0.97 0.00 -0.18 8.00 -1.26 -5.02 116.55 118.15 2nm3 n ASP 110 Ca -0.04 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2nm3 n ASP 110 Cb 0.60 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2nm3 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nm3 n GLY 111 N 1.77 0.39 3.01 0.44 0.00 -1.26 -4.47 105.19 105.07 2nm3 n GLY 111 Ca -0.28 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 2nm3 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nm3 s VAL 112 N -2.00 0.07 0.00 1.61 -7.23 -0.41 -4.97 120.40 107.46 2nm3 s VAL 112 Ca 0.00 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2nm3 s VAL 112 Cb 0.00 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.67 2nm3 s VAL 112 CO 0.00 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 2nm3 n GLY 113 N 2.00 0.62 3.35 2.32 0.00 -1.26 -0.31 105.19 111.91 2nm3 n GLY 113 Ca -0.20 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 2nm3 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2nm3 s ILE 114 N -2.07 1.16 -0.03 -0.61 -5.25 -0.77 -5.00 121.20 108.63 2nm3 s ILE 114 Ca 0.00 -2.05 -0.02 0.00 -0.99 0.00 0.00 60.65 57.59 2nm3 s ILE 114 Cb 0.00 -2.35 0.02 0.00 2.95 0.00 0.00 42.46 43.08 2nm3 s ILE 114 CO 0.00 -0.34 0.07 -0.70 -1.79 0.00 0.00 174.94 172.19 2nm3 s GLU 115 N -3.83 0.04 0.19 0.37 2.12 -1.26 -2.17 118.70 114.16 2nm3 s GLU 115 Ca 0.28 0.18 0.08 0.00 0.36 0.00 0.00 54.97 55.87 2nm3 s GLU 115 Cb 0.05 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 2nm3 s GLU 115 CO 0.09 -0.09 -0.17 0.96 -0.54 0.00 0.00 175.26 175.51 2nm3 s ILE 116 N 0.58 1.83 -0.08 -3.70 -4.36 0.11 -4.97 121.20 110.61 2nm3 s ILE 116 Ca -0.05 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2nm3 s ILE 116 Cb -0.06 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.71 2nm3 s ILE 116 CO -0.02 -0.43 -0.11 -0.69 0.24 0.00 0.00 174.94 173.92 2nm3 s VAL 117 N -2.44 1.15 -0.24 8.37 1.01 -1.26 -1.09 120.40 125.90 2nm3 s VAL 117 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2nm3 s VAL 117 Cb -0.04 -1.09 0.07 0.00 0.00 0.00 0.00 36.38 35.33 2nm3 s VAL 117 CO 0.07 0.37 0.01 -0.13 0.00 0.00 0.00 175.10 175.42 2nm3 s ARG 118 N 1.00 1.09 0.46 2.72 1.81 0.24 -4.94 118.95 121.33 2nm3 s ARG 118 Ca -0.08 -0.84 -0.24 0.00 -1.72 0.00 0.00 55.73 52.85 2nm3 s ARG 118 Cb -0.15 -2.33 -0.07 0.00 -0.45 0.00 0.00 34.95 31.95 2nm3 s ARG 118 CO -0.00 -0.70 1.30 -1.83 -0.68 0.00 0.00 175.30 173.38 2nm3 s GLU 119 N 1.59 3.68 -0.68 3.54 -1.05 -1.26 -1.38 118.70 123.13 2nm3 s GLU 119 Ca -0.00 2.11 -0.22 0.00 -0.15 0.00 0.00 54.97 56.71 2nm3 s GLU 119 Cb -0.18 -2.54 0.08 0.00 -0.44 0.00 0.00 34.13 31.05 2nm3 s GLU 119 CO -0.11 -0.71 0.95 1.21 0.95 0.00 0.00 175.26 177.55 2nm3 s ASN 120 N -0.92 6.23 0.00 0.83 2.47 0.87 -4.90 114.94 119.52 2nm3 s ASN 120 Ca 0.63 -1.18 0.10 0.00 0.42 0.00 0.00 52.86 52.82 2nm3 s ASN 120 Cb -0.37 -2.40 0.08 0.00 -1.45 0.00 0.00 41.25 37.11 2nm3 s ASN 120 CO 0.46 -1.35 0.81 0.29 -3.72 0.00 0.00 177.10 173.58