#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5nul s LYS 2 N 0.00 0.36 -0.11 0.03 1.02 -1.26 -1.23 119.74 118.56 5nul s LYS 2 Ca 0.00 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 55.73 5nul s LYS 2 Cb 0.00 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.03 5nul s LYS 2 CO 0.00 0.07 -0.23 0.42 -0.92 0.00 0.00 175.35 174.69 5nul s ILE 3 N -0.45 2.11 -0.09 2.17 1.01 0.32 -3.33 121.20 122.94 5nul s ILE 3 Ca -0.02 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.67 5nul s ILE 3 Cb -0.04 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.63 5nul s ILE 3 CO -0.00 0.56 -0.21 -0.69 0.00 0.00 0.00 174.94 174.60 5nul s VAL 4 N 0.41 1.81 0.15 2.92 1.01 -0.18 0.38 120.40 126.90 5nul s VAL 4 Ca -0.17 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 5nul s VAL 4 Cb -0.18 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 5nul s VAL 4 CO 0.07 0.51 0.24 -0.72 0.00 0.00 0.00 175.10 175.20 5nul s TYR 5 N 0.40 0.42 -0.05 5.22 1.13 -0.67 -1.09 117.35 122.70 5nul s TYR 5 Ca -0.17 -0.80 0.04 0.00 -1.41 0.00 0.00 57.07 54.74 5nul s TYR 5 Cb -0.17 -0.11 -0.00 0.00 -1.10 0.00 0.00 41.96 40.57 5nul s TYR 5 CO 0.07 -0.67 -0.18 -0.46 -2.51 0.00 0.00 175.55 171.81 5nul s TRP 6 N -3.96 1.76 -0.05 -3.49 -0.00 -0.48 -0.02 118.94 112.69 5nul s TRP 6 Ca 0.16 -0.52 -0.02 0.00 -0.00 0.00 0.00 56.10 55.73 5nul s TRP 6 Cb 0.04 -1.19 0.04 0.00 -0.00 0.00 0.00 33.47 32.36 5nul s TRP 6 CO -0.01 -0.18 0.11 0.45 -0.00 0.00 0.00 176.95 177.32 5nul s SER 7 N 0.05 -0.04 -0.02 5.86 0.15 -1.26 -3.81 113.70 114.63 5nul s SER 7 Ca -0.04 0.22 0.14 0.00 0.70 0.00 0.00 55.95 56.96 5nul s SER 7 Cb -0.12 0.10 -0.20 0.00 -1.71 0.00 0.00 66.02 64.09 5nul s SER 7 CO 0.02 -0.14 0.69 0.61 1.20 0.00 0.00 173.24 175.62 5nul n GLY 8 N 4.22 -1.05 0.00 9.45 0.00 -1.26 -4.53 105.19 112.02 5nul n GLY 8 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.69 5nul n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5nul n THR 9 N -2.99 0.00 0.00 2.61 -2.24 -1.26 -5.02 114.28 105.38 5nul n THR 9 Ca -0.15 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 5nul n THR 9 Cb 0.99 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.51 5nul n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5nul n GLY 10 N 0.17 0.66 0.08 3.38 0.00 -1.26 -5.01 105.19 103.20 5nul n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 5nul n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 5nul h ASN 11 N 0.00 0.11 0.30 1.61 -0.26 -1.94 -0.45 115.58 114.96 5nul h ASN 11 Ca 0.00 -0.40 -0.10 0.00 -0.56 0.00 0.00 56.30 55.24 5nul h ASN 11 Cb 0.00 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 5nul h ASN 11 CO 0.00 0.48 -0.41 0.74 -1.06 0.00 0.00 177.43 177.18 5nul h THR 12 N -0.26 1.31 -0.50 2.81 2.02 -1.89 -1.88 112.91 114.51 5nul h THR 12 Ca 0.01 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 5nul h THR 12 Cb 0.44 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 5nul h THR 12 CO 0.01 0.44 0.21 -0.08 0.37 0.00 0.00 175.52 176.46 5nul h GLU 13 N 0.13 0.75 -0.57 6.66 4.81 -1.81 -0.61 114.58 123.94 5nul h GLU 13 Ca 0.01 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 5nul h GLU 13 Cb 0.79 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 5nul h GLU 13 CO 0.06 0.66 0.33 -0.22 -0.73 0.00 0.00 179.01 179.11 5nul h LYS 14 N 0.67 0.78 -0.42 1.92 1.63 -0.77 -1.39 116.57 118.99 5nul h LYS 14 Ca 0.17 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.93 5nul h LYS 14 Cb 0.18 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.61 5nul h LYS 14 CO -0.02 0.58 0.18 0.52 -3.45 0.00 0.00 179.45 177.26 5nul h MET 15 N 0.77 0.36 -0.55 1.90 2.86 -1.00 -1.41 114.93 117.86 5nul h MET 15 Ca 0.20 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 5nul h MET 15 Cb 0.01 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 5nul h MET 15 CO -0.04 0.24 0.28 0.00 1.06 0.00 0.00 176.91 178.45 5nul h ALA 16 N 1.24 0.71 -0.91 6.32 0.00 -0.61 0.14 119.26 126.16 5nul h ALA 16 Ca 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 5nul h ALA 16 Cb 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 5nul h ALA 16 CO -0.16 -0.06 0.51 0.93 0.00 0.00 0.00 179.25 180.47 5nul h GLU 17 N 0.54 1.27 -0.20 0.00 5.08 -0.82 -0.60 114.58 119.85 5nul h GLU 17 Ca 0.24 -0.14 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 5nul h GLU 17 Cb 0.15 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.15 5nul h GLU 17 CO -0.17 0.92 -0.64 -0.07 -1.00 0.00 0.00 179.01 178.05 5nul h LEU 18 N 1.28 0.82 -0.69 1.33 3.38 -0.56 -0.98 115.31 119.89 5nul h LEU 18 Ca 0.32 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 5nul h LEU 18 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 5nul h LEU 18 CO -0.05 1.26 0.34 0.40 0.09 0.00 0.00 178.44 180.47 5nul h ILE 19 N 0.53 1.23 -0.47 1.22 2.04 -0.44 -1.43 117.51 120.19 5nul h ILE 19 Ca -0.01 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 5nul h ILE 19 Cb 1.24 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 5nul h ILE 19 CO 0.13 0.27 0.26 0.00 0.00 0.00 0.00 178.15 178.80 5nul h ALA 20 N 1.16 0.61 -0.79 1.87 0.00 -0.99 -2.09 119.26 119.03 5nul h ALA 20 Ca 0.24 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.14 5nul h ALA 20 Cb 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 5nul h ALA 20 CO -0.03 0.14 0.46 -0.22 0.00 0.00 0.00 179.25 179.59 5nul h LYS 21 N 0.63 0.77 -0.49 0.00 3.64 -0.67 0.03 116.57 120.49 5nul h LYS 21 Ca 0.17 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 5nul h LYS 21 Cb 0.06 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 5nul h LYS 21 CO -0.03 0.51 0.23 0.78 -2.27 0.00 0.00 179.45 178.67 5nul h GLY 22 N 0.80 0.76 0.98 5.01 0.00 -0.71 0.13 103.07 110.03 5nul h GLY 22 Ca 0.37 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 5nul h GLY 22 CO -0.22 0.36 0.23 -2.22 0.00 0.00 0.00 176.54 174.70 5nul h ILE 23 N 0.64 1.20 -0.46 2.60 2.04 -0.79 -1.93 117.51 120.82 5nul h ILE 23 Ca 0.17 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 5nul h ILE 23 Cb 0.13 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 5nul h ILE 23 CO -0.02 0.23 0.04 0.40 0.00 0.00 0.00 178.15 178.80 5nul h ILE 24 N 0.69 1.26 0.00 -0.67 2.04 -0.79 -2.24 117.51 117.80 5nul h ILE 24 Ca 0.18 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 5nul h ILE 24 Cb 0.15 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 5nul h ILE 24 CO -0.02 0.34 -0.06 -0.33 0.00 0.00 0.00 178.15 178.09 5nul h GLU 25 N 0.64 0.00 0.00 2.37 5.08 -0.56 0.19 114.58 122.30 5nul h GLU 25 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 5nul h GLU 25 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 5nul h GLU 25 CO 0.02 0.06 0.00 0.43 -1.00 0.00 0.00 179.01 178.51 5nul n SER 26 N -4.33 0.00 0.00 1.42 7.64 -0.74 -4.88 113.62 112.73 5nul n SER 26 Ca -0.03 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.56 5nul n SER 26 Cb 0.14 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 5nul n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5nul n GLY 27 N 0.71 0.77 3.80 0.23 0.00 0.65 -5.09 105.19 106.26 5nul n GLY 27 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 5nul n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5nul s LYS 28 N -0.89 2.46 0.27 1.61 1.02 -1.02 -5.01 119.74 118.17 5nul s LYS 28 Ca 0.00 -1.56 0.07 0.00 0.02 0.00 0.00 55.97 54.49 5nul s LYS 28 Cb 0.00 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 5nul s LYS 28 CO 0.00 -0.04 0.27 0.34 -0.92 0.00 0.00 175.35 175.00 5nul s ASP 29 N -3.98 5.74 -0.21 2.83 2.15 -1.26 -3.58 116.67 118.35 5nul s ASP 29 Ca 0.42 -0.19 -0.27 0.00 0.43 0.00 0.00 52.55 52.94 5nul s ASP 29 Cb -0.02 -1.46 0.10 0.00 -0.30 0.00 0.00 42.92 41.24 5nul s ASP 29 CO 0.25 -0.12 0.86 0.54 -0.17 0.00 0.00 175.17 176.54 5nul s VAL 30 N -2.12 0.00 -0.07 1.11 0.11 -1.26 -2.18 120.40 115.99 5nul s VAL 30 Ca 0.35 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 5nul s VAL 30 Cb -0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 5nul s VAL 30 CO 0.27 0.00 -0.10 0.20 -3.33 0.00 0.00 175.10 172.14 5nul s ASN 31 N -0.21 4.40 -0.22 3.54 -0.87 -0.36 -4.93 114.94 116.28 5nul s ASN 31 Ca -0.01 -0.11 -0.08 0.00 -1.57 0.00 0.00 52.86 51.08 5nul s ASN 31 Cb -0.03 -1.15 -0.04 0.00 -0.02 0.00 0.00 41.25 40.01 5nul s ASN 31 CO 0.00 0.33 0.09 -0.89 -2.57 0.00 0.00 177.10 174.06 5nul s THR 32 N -0.59 4.70 -0.09 1.60 2.01 -1.26 -0.52 115.64 121.49 5nul s THR 32 Ca 0.09 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.06 5nul s THR 32 Cb -0.12 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.24 5nul s THR 32 CO 0.02 0.38 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.55 5nul s ILE 33 N 1.05 1.39 0.29 1.82 1.01 0.16 -4.95 121.20 121.98 5nul s ILE 33 Ca 0.05 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 5nul s ILE 33 Cb -0.14 -1.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.97 5nul s ILE 33 CO 0.03 0.42 1.15 0.21 0.00 0.00 0.00 174.94 176.75 5nul s ASN 34 N 0.80 7.15 0.50 3.58 3.84 -1.26 -1.68 114.94 127.87 5nul s ASN 34 Ca -0.11 2.36 0.25 0.00 0.21 0.00 0.00 52.86 55.57 5nul s ASN 34 Cb -0.16 -2.63 1.33 0.00 -0.55 0.00 0.00 41.25 39.24 5nul s ASN 34 CO 0.02 -0.24 1.92 1.62 -2.79 0.00 0.00 177.10 177.63 5nul h VAL 35 N 3.07 0.66 0.00 -5.21 3.04 -0.79 0.58 116.25 117.61 5nul h VAL 35 Ca -0.47 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.16 5nul h VAL 35 Cb 1.21 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 5nul h VAL 35 CO 0.66 0.02 -0.05 0.77 -1.01 0.00 0.00 177.57 177.97 5nul h SER 36 N 0.13 0.00 -0.08 3.17 4.64 -1.91 -2.86 113.55 116.64 5nul h SER 36 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 5nul h SER 36 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 5nul h SER 36 CO -0.05 0.05 0.00 0.47 -0.87 0.00 0.00 176.83 176.42 5nul n ASP 37 N -3.18 2.82 -4.76 4.97 8.00 0.18 -5.02 116.55 119.56 5nul n ASP 37 Ca -0.00 -1.88 -0.38 0.00 0.71 0.00 0.00 54.79 53.24 5nul n ASP 37 Cb 0.29 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.38 5nul n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 5nul s VAL 38 N -1.68 2.30 -0.33 2.53 0.11 -1.08 -4.95 120.40 117.31 5nul s VAL 38 Ca 0.26 0.24 -0.02 0.00 -2.93 0.00 0.00 61.98 59.53 5nul s VAL 38 Cb 0.18 -3.12 0.07 0.00 -1.53 0.00 0.00 36.38 31.97 5nul s VAL 38 CO 0.26 0.00 0.05 0.21 -3.33 0.00 0.00 175.10 172.29 5nul s ASN 39 N -0.96 4.96 0.21 3.54 3.84 -1.26 -5.01 114.94 120.26 5nul s ASN 39 Ca 0.68 -1.48 -0.09 0.00 0.21 0.00 0.00 52.86 52.18 5nul s ASN 39 Cb -0.38 -1.73 0.28 0.00 -0.55 0.00 0.00 41.25 38.86 5nul s ASN 39 CO 0.46 -0.33 1.77 0.40 -2.79 0.00 0.00 177.10 176.62 5nul h ILE 40 N 6.45 0.85 -0.72 -5.21 1.08 -1.99 -1.68 117.51 116.30 5nul h ILE 40 Ca -0.18 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 5nul h ILE 40 Cb 1.06 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 5nul h ILE 40 CO 0.57 0.10 0.35 0.44 -0.69 0.00 0.00 178.15 178.91 5nul h ASP 41 N 0.53 0.92 0.27 1.72 3.32 -1.99 -0.73 116.42 120.45 5nul h ASP 41 Ca 0.31 -0.10 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 5nul h ASP 41 Cb 0.32 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 5nul h ASP 41 CO -0.26 0.77 -0.81 -0.33 -1.72 0.00 0.00 179.24 176.90 5nul h GLU 42 N 1.01 0.43 -0.34 3.56 5.08 -1.95 -3.25 114.58 119.12 5nul h GLU 42 Ca 0.25 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 5nul h GLU 42 Cb 0.09 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 5nul h GLU 42 CO -0.03 1.04 0.11 1.25 -1.00 0.00 0.00 179.01 180.37 5nul h LEU 43 N 0.27 0.50 0.00 1.33 5.85 -0.66 -2.81 115.31 119.79 5nul h LEU 43 Ca -0.05 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.47 5nul h LEU 43 Cb 1.41 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.31 5nul h LEU 43 CO 0.14 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.99 5nul n LEU 44 N -4.66 0.00 0.06 2.25 4.77 -0.34 -1.40 117.00 117.68 5nul n LEU 44 Ca -0.01 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 5nul n LEU 44 Cb 0.17 -0.42 0.26 0.00 -2.33 0.00 0.00 43.42 41.10 5nul n LEU 44 CO 0.37 -0.29 0.51 -3.20 -1.33 0.00 0.00 177.39 173.45 5nul n ASN 45 N -1.42 0.66 -4.77 -1.43 4.05 -1.06 -4.93 115.26 106.36 5nul n ASN 45 Ca 0.03 0.20 -0.39 0.00 0.45 0.00 0.00 54.58 54.86 5nul n ASN 45 Cb 0.09 -0.07 -0.01 0.00 1.23 0.00 0.00 39.78 41.02 5nul n ASN 45 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 5nul s GLU 46 N -3.12 4.05 0.20 1.20 0.41 -0.49 -4.95 118.70 115.99 5nul s GLU 46 Ca 0.08 2.02 -0.10 0.00 -0.41 0.00 0.00 54.97 56.57 5nul s GLU 46 Cb 0.14 -2.76 0.14 0.00 -1.78 0.00 0.00 34.13 29.86 5nul s GLU 46 CO 0.68 -0.38 1.79 0.38 -0.49 0.00 0.00 175.26 177.24 5nul h ASP 47 N 2.75 0.97 -3.52 -0.19 2.03 -1.91 -3.43 116.42 113.11 5nul h ASP 47 Ca -0.49 -0.14 -0.36 0.00 -0.73 0.00 0.00 57.03 55.32 5nul h ASP 47 Cb 1.24 -0.25 -0.33 0.00 -0.83 0.00 0.00 39.33 39.16 5nul h ASP 47 CO 0.63 0.83 -0.75 -0.63 -1.03 0.00 0.00 179.24 178.29 5nul s ILE 48 N -5.69 0.28 -0.28 4.15 1.01 -1.26 -3.98 121.20 115.44 5nul s ILE 48 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 5nul s ILE 48 Cb 0.15 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 5nul s ILE 48 CO 0.81 0.16 0.41 -0.76 0.00 0.00 0.00 174.94 175.56 5nul s LEU 49 N 0.87 4.08 -0.37 2.97 1.43 -0.15 -4.52 118.68 122.99 5nul s LEU 49 Ca -0.10 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 5nul s LEU 49 Cb -0.13 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.66 5nul s LEU 49 CO -0.01 -0.23 0.18 -0.63 0.23 0.00 0.00 176.35 175.89 5nul s ILE 50 N 2.14 4.20 -0.09 -0.59 1.01 -1.21 -0.24 121.20 126.42 5nul s ILE 50 Ca 0.16 -1.10 0.04 0.00 0.00 0.00 0.00 60.65 59.75 5nul s ILE 50 Cb -0.16 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 5nul s ILE 50 CO 0.10 -0.29 -0.21 -0.76 0.00 0.00 0.00 174.94 173.78 5nul s LEU 51 N 1.47 2.26 0.03 2.97 1.43 -0.09 -1.02 118.68 125.73 5nul s LEU 51 Ca 0.01 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 5nul s LEU 51 Cb -0.20 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 5nul s LEU 51 CO 0.04 0.19 -0.10 -0.83 0.23 0.00 0.00 176.35 175.89 5nul s GLY 52 N 0.15 0.57 -0.28 -3.19 0.00 -0.25 -1.59 107.32 102.73 5nul s GLY 52 Ca -0.11 -0.70 -0.21 0.00 0.00 0.00 0.00 44.72 43.70 5nul s GLY 52 CO 0.06 -0.71 0.88 0.00 0.00 0.00 0.00 173.10 173.33 5nul s SER 54 N 0.84 4.02 -0.20 0.00 1.04 -1.25 -4.30 113.70 113.84 5nul s SER 54 Ca -0.03 1.47 -0.29 0.00 0.48 0.00 0.00 55.95 57.57 5nul s SER 54 Cb -0.05 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 5nul s SER 54 CO -0.10 -2.29 1.24 0.00 0.98 0.00 0.00 173.24 173.07 5nul s ALA 55 N -3.01 3.60 0.52 5.32 0.00 -0.68 -4.33 121.76 123.17 5nul s ALA 55 Ca 0.62 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.96 5nul s ALA 55 Cb -0.16 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.31 5nul s ALA 55 CO 0.56 -1.29 0.17 -1.64 0.00 0.00 0.00 175.76 173.56 5nul s MET 56 N 3.61 2.22 0.00 0.00 -1.94 -0.11 -4.85 119.30 118.23 5nul s MET 56 Ca 0.54 -2.21 0.00 0.00 -1.71 0.00 0.00 55.69 52.31 5nul s MET 56 Cb -0.20 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 34.86 5nul s MET 56 CO 0.15 -0.44 0.00 2.41 -0.01 0.00 0.00 175.02 177.13 5nul n THR 57 N -1.46 0.00 -3.55 2.05 -1.04 -1.26 -1.25 114.28 107.77 5nul n THR 57 Ca -0.11 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.68 5nul n THR 57 Cb 0.66 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.22 5nul n THR 57 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 5nul n ASP 58 N 0.00 -3.91 -3.53 8.00 8.00 -1.26 -3.69 116.55 120.17 5nul n ASP 58 Ca 0.00 -0.83 -0.21 0.00 0.71 0.00 0.00 54.79 54.45 5nul n ASP 58 Cb 0.00 -4.25 0.05 0.00 -0.02 0.00 0.00 41.12 36.91 5nul n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 5nul n GLU 59 N -3.95 -3.47 -4.24 -1.24 -0.58 -0.38 -5.01 120.64 101.76 5nul n GLU 59 Ca -0.18 0.68 -0.14 0.00 -0.42 0.00 0.00 57.16 57.11 5nul n GLU 59 Cb 0.64 -5.21 -0.10 0.00 -0.57 0.00 0.00 31.44 26.20 5nul n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 5nul s VAL 60 N -3.50 0.62 0.62 2.62 -7.23 -0.42 -4.13 120.40 108.98 5nul s VAL 60 Ca 0.25 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 5nul s VAL 60 Cb -0.06 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 5nul s VAL 60 CO 0.79 -0.42 1.11 -0.76 -0.31 0.00 0.00 175.10 175.51 5nul s LEU 61 N -3.18 3.48 0.18 1.32 1.43 -1.26 -0.93 118.68 119.72 5nul s LEU 61 Ca 0.25 2.01 -0.33 0.00 -1.03 0.00 0.00 54.13 55.03 5nul s LEU 61 Cb 0.06 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.59 5nul s LEU 61 CO 0.05 -1.47 1.59 1.21 0.23 0.00 0.00 176.35 177.96 5nul n GLU 62 N -2.11 2.27 0.10 1.70 0.00 -1.26 -4.77 120.64 116.55 5nul n GLU 62 Ca 0.10 0.82 -0.14 0.00 0.00 0.00 0.00 57.16 57.94 5nul n GLU 62 Cb 0.52 -2.59 -0.12 0.00 0.00 0.00 0.00 31.44 29.25 5nul n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 5nul h GLU 63 N 5.92 0.25 0.00 5.31 5.08 -1.97 0.13 114.58 129.31 5nul h GLU 63 Ca -0.45 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.33 5nul h GLU 63 Cb 1.25 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 5nul h GLU 63 CO 0.89 1.17 -0.86 0.66 -1.00 0.00 0.00 179.01 179.87 5nul h SER 64 N 0.08 0.00 0.00 1.42 4.64 -2.00 -3.39 113.55 114.30 5nul h SER 64 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 5nul h SER 64 Cb 1.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 5nul h SER 64 CO 0.19 0.86 -0.60 -0.62 -0.87 0.00 0.00 176.83 175.79 5nul n GLU 65 N -3.39 0.00 -0.04 4.77 1.02 -1.26 -4.75 120.64 116.98 5nul n GLU 65 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 5nul n GLU 65 Cb 0.86 -0.35 -0.07 0.00 -0.02 0.00 0.00 31.44 31.86 5nul n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 5nul h PHE 66 N 0.00 0.28 -0.13 -0.32 3.57 -1.83 -2.62 116.94 115.89 5nul h PHE 66 Ca 0.00 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.48 5nul h PHE 66 Cb 0.60 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 5nul h PHE 66 CO 0.00 0.57 -0.22 1.49 -2.23 0.00 0.00 178.31 177.92 5nul h GLU 67 N -0.08 -0.27 -0.52 1.11 4.57 -1.18 -0.54 114.58 117.66 5nul h GLU 67 Ca 0.03 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 5nul h GLU 67 Cb 0.49 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 5nul h GLU 67 CO 0.02 -0.18 0.32 -1.35 -1.18 0.00 0.00 179.01 176.64 5nul h PRO 68 N -0.28 0.69 -0.08 0.92 0.11 -1.75 -0.60 132.00 131.02 5nul h PRO 68 Ca 0.10 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 5nul h PRO 68 Cb 0.42 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 5nul h PRO 68 CO -0.29 0.48 0.05 0.35 -0.21 0.00 0.00 178.00 178.38 5nul h PHE 69 N 0.71 0.10 -0.70 0.65 3.57 -0.93 0.33 116.94 120.67 5nul h PHE 69 Ca 0.19 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 5nul h PHE 69 Cb -0.04 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 5nul h PHE 69 CO 0.00 0.11 0.39 0.82 -2.23 0.00 0.00 178.31 177.40 5nul h ILE 70 N 0.06 1.21 -0.84 1.41 1.08 -0.52 -1.94 117.51 117.98 5nul h ILE 70 Ca 0.03 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 5nul h ILE 70 Cb 0.04 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.03 5nul h ILE 70 CO -0.01 0.23 0.43 -0.08 -0.69 0.00 0.00 178.15 178.04 5nul h GLU 71 N 0.96 1.18 -0.52 2.37 4.57 -0.91 -0.61 114.58 121.63 5nul h GLU 71 Ca 0.25 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 5nul h GLU 71 Cb 0.03 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 5nul h GLU 71 CO -0.04 0.88 0.04 1.49 -1.18 0.00 0.00 179.01 180.20 5nul h GLU 72 N 1.18 0.89 0.00 1.92 4.81 -0.21 -3.03 114.58 120.14 5nul h GLU 72 Ca 0.29 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 5nul h GLU 72 Cb 0.07 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.36 5nul h GLU 72 CO -0.04 0.89 -0.32 0.44 -0.73 0.00 0.00 179.01 179.25 5nul n ILE 73 N -4.34 0.41 -0.35 2.32 -5.35 -0.82 -4.41 119.36 106.82 5nul n ILE 73 Ca 0.01 -0.24 0.24 0.00 -0.27 0.00 0.00 62.75 62.49 5nul n ILE 73 Cb 0.29 -0.32 0.49 0.00 -1.74 0.00 0.00 39.64 38.36 5nul n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 5nul h SER 74 N 0.00 0.50 0.15 7.28 4.64 -0.98 -0.56 113.55 124.59 5nul h SER 74 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 5nul h SER 74 Cb 0.71 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 5nul h SER 74 CO 0.00 -0.08 -0.15 0.35 -0.87 0.00 0.00 176.83 176.08 5nul n THR 75 N -4.94 0.00 -1.71 2.95 -2.24 -1.26 -4.16 114.28 102.92 5nul n THR 75 Ca 0.31 -0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.91 5nul n THR 75 Cb 0.99 0.38 0.16 0.00 -2.10 0.00 0.00 70.33 69.76 5nul n THR 75 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 5nul n LYS 76 N -0.38 2.09 -0.12 -0.78 2.85 -0.22 -4.68 118.16 116.91 5nul n LYS 76 Ca 0.15 -3.52 0.01 0.00 -1.05 0.00 0.00 58.31 53.90 5nul n LYS 76 Cb 0.34 -1.78 0.01 0.00 -0.65 0.00 0.00 35.03 32.96 5nul n LYS 76 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 5nul n ILE 77 N -1.01 0.39 -1.81 0.58 -5.35 -1.22 -5.01 119.36 105.93 5nul n ILE 77 Ca 0.25 -0.43 -0.42 0.00 -0.27 0.00 0.00 62.75 61.89 5nul n ILE 77 Cb 0.76 0.66 -0.02 0.00 -1.74 0.00 0.00 39.64 39.30 5nul n ILE 77 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 5nul s SER 78 N -0.71 6.43 0.00 7.28 0.15 -1.24 -1.18 113.70 124.43 5nul s SER 78 Ca 0.03 2.85 0.00 0.00 0.70 0.00 0.00 55.95 59.53 5nul s SER 78 Cb 0.03 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 5nul s SER 78 CO 0.00 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.16 5nul n GLY 79 N 2.93 2.22 3.77 9.45 0.00 0.20 -4.91 105.19 118.84 5nul n GLY 79 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 5nul n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5nul s LYS 80 N -0.15 4.68 0.11 1.61 -0.14 -0.33 -4.67 119.74 120.85 5nul s LYS 80 Ca 0.00 1.45 -0.28 0.00 -1.36 0.00 0.00 55.97 55.77 5nul s LYS 80 Cb 0.00 -3.01 -0.06 0.00 -1.68 0.00 0.00 37.83 33.08 5nul s LYS 80 CO 0.00 0.35 0.89 0.15 -0.76 0.00 0.00 175.35 175.97 5nul s LYS 81 N -1.67 4.65 0.03 1.68 1.02 -1.26 -0.72 119.74 123.47 5nul s LYS 81 Ca 0.46 1.32 0.01 0.00 0.02 0.00 0.00 55.97 57.78 5nul s LYS 81 Cb -0.23 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 5nul s LYS 81 CO 0.29 0.30 -0.05 0.14 -0.92 0.00 0.00 175.35 175.11 5nul s VAL 82 N -0.24 0.27 -0.04 3.17 -7.23 -0.25 -0.97 120.40 115.11 5nul s VAL 82 Ca 0.43 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 5nul s VAL 82 Cb -0.23 -0.48 0.01 0.00 0.56 0.00 0.00 36.38 36.24 5nul s VAL 82 CO 0.28 -0.50 -0.10 0.00 -0.31 0.00 0.00 175.10 174.47 5nul s ALA 83 N -1.63 0.97 0.06 1.32 0.00 0.67 -1.54 121.76 121.61 5nul s ALA 83 Ca -0.12 -0.34 0.09 0.00 0.00 0.00 0.00 51.96 51.59 5nul s ALA 83 Cb -0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 5nul s ALA 83 CO -0.01 0.13 -0.23 -0.51 0.00 0.00 0.00 175.76 175.14 5nul s LEU 84 N 0.37 2.39 0.24 0.00 1.43 -1.26 -0.92 118.68 120.92 5nul s LEU 84 Ca -0.07 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.32 5nul s LEU 84 Cb -0.11 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.74 5nul s LEU 84 CO 0.01 0.24 0.56 0.72 0.23 0.00 0.00 176.35 178.11 5nul s PHE 85 N -0.91 0.03 0.00 0.29 -0.71 -0.62 -1.31 117.98 114.75 5nul s PHE 85 Ca 0.14 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 5nul s PHE 85 Cb -0.10 0.41 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 5nul s PHE 85 CO 0.04 -1.03 0.00 0.41 -1.34 0.00 0.00 175.22 173.30 5nul n GLY 86 N -0.39 1.86 3.94 1.99 0.00 -0.61 -1.57 105.19 110.41 5nul n GLY 86 Ca -0.06 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 5nul n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 5nul s SER 87 N 0.00 6.35 0.24 1.61 0.15 -1.26 -2.27 113.70 118.52 5nul s SER 87 Ca 0.00 0.21 -0.05 0.00 0.70 0.00 0.00 55.95 56.81 5nul s SER 87 Cb 0.00 -1.93 -0.02 0.00 -1.71 0.00 0.00 66.02 62.36 5nul s SER 87 CO 0.00 0.07 0.31 -0.72 1.20 0.00 0.00 173.24 174.11 5nul s TYR 88 N -1.69 0.89 0.00 3.44 1.13 -0.60 -1.69 117.35 118.82 5nul s TYR 88 Ca 0.35 -1.14 0.00 0.00 -1.41 0.00 0.00 57.07 54.86 5nul s TYR 88 Cb -0.11 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 5nul s TYR 88 CO 0.28 -0.85 0.00 0.41 -2.51 0.00 0.00 175.55 172.88 5nul n GLY 89 N -0.37 0.66 0.15 5.49 0.00 -1.26 -0.58 105.19 109.28 5nul n GLY 89 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 5nul n GLY 89 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 5nul h TRP 90 N 0.00 0.00 -1.47 1.61 0.09 -2.01 -3.46 115.95 110.71 5nul h TRP 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 5nul h TRP 90 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.24 5nul h TRP 90 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.94 5nul n GLY 91 N 0.79 -0.60 0.72 11.11 0.00 -1.26 -5.04 105.19 110.92 5nul n GLY 91 Ca 0.04 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.42 5nul n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 5nul n ASP 92 N -0.85 1.04 0.00 1.61 5.68 -1.26 -4.99 116.55 117.77 5nul n ASP 92 Ca 0.00 -2.53 0.00 0.00 -0.50 0.00 0.00 54.79 51.76 5nul n ASP 92 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 5nul n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5nul n GLY 93 N -0.33 1.09 0.29 6.12 0.00 -1.26 -5.01 105.19 106.10 5nul n GLY 93 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 5nul n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 5nul h LYS 94 N 2.95 0.75 -0.52 1.61 1.63 -1.94 -0.80 116.57 120.24 5nul h LYS 94 Ca 0.00 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 5nul h LYS 94 Cb 0.00 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.44 5nul h LYS 94 CO 0.00 0.49 0.32 0.11 -3.45 0.00 0.00 179.45 176.93 5nul h TRP 95 N 0.77 0.67 0.01 1.91 0.09 -1.95 -1.32 115.95 116.12 5nul h TRP 95 Ca 0.37 0.01 -0.24 0.00 0.09 0.00 0.00 58.89 59.12 5nul h TRP 95 Cb 0.30 -0.22 0.01 0.00 0.08 0.00 0.00 29.16 29.32 5nul h TRP 95 CO -0.07 0.44 -0.98 1.98 0.09 0.00 0.00 178.44 179.90 5nul h MET 96 N 0.71 0.45 -0.57 0.12 4.05 -1.56 -0.30 114.93 117.83 5nul h MET 96 Ca 0.19 -0.50 0.02 0.00 -0.28 0.00 0.00 59.70 59.13 5nul h MET 96 Cb -0.05 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 5nul h MET 96 CO -0.04 1.15 0.35 0.00 0.23 0.00 0.00 176.91 178.61 5nul h ARG 97 N 0.25 0.69 -0.56 0.39 3.08 -0.65 0.15 114.38 117.73 5nul h ARG 97 Ca -0.09 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 5nul h ARG 97 Cb 1.62 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.50 5nul h ARG 97 CO 0.17 0.46 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.07 5nul h ASP 98 N 0.71 0.99 -0.53 7.04 3.32 -1.17 -1.56 116.42 125.23 5nul h ASP 98 Ca 0.22 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 5nul h ASP 98 Cb -0.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 5nul h ASP 98 CO -0.08 1.07 0.32 0.15 -1.72 0.00 0.00 179.24 178.97 5nul h PHE 99 N 0.89 0.70 -0.22 4.55 3.57 -0.60 -0.18 116.94 125.65 5nul h PHE 99 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 5nul h PHE 99 Cb 0.57 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 5nul h PHE 99 CO 0.04 0.48 0.10 1.49 -2.23 0.00 0.00 178.31 178.19 5nul h GLU 100 N 0.71 0.32 -0.67 1.11 4.81 -0.82 -1.32 114.58 118.71 5nul h GLU 100 Ca 0.19 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 5nul h GLU 100 Cb -0.01 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 5nul h GLU 100 CO -0.04 0.35 0.39 1.49 -0.73 0.00 0.00 179.01 180.47 5nul h GLU 101 N 0.21 0.72 -0.04 1.92 4.81 -1.09 -1.10 114.58 120.01 5nul h GLU 101 Ca 0.07 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 5nul h GLU 101 Cb 0.14 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 5nul h GLU 101 CO -0.01 0.48 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.64 5nul h ARG 102 N 0.74 -0.01 -0.59 1.92 2.43 -0.65 0.48 114.38 118.70 5nul h ARG 102 Ca 0.29 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 5nul h ARG 102 Cb 0.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 5nul h ARG 102 CO -0.15 -0.00 0.11 0.52 -1.51 0.00 0.00 179.97 178.93 5nul h MET 103 N -0.01 0.93 -0.78 0.20 2.86 -1.03 -1.41 114.93 115.70 5nul h MET 103 Ca 0.02 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 5nul h MET 103 Cb 0.04 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 5nul h MET 103 CO -0.05 0.85 0.34 -0.91 1.06 0.00 0.00 176.91 178.20 5nul h ASN 104 N 0.89 1.05 0.40 1.22 2.35 -0.84 -1.84 115.58 118.80 5nul h ASN 104 Ca 0.19 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 5nul h ASN 104 Cb 0.36 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 5nul h ASN 104 CO 0.00 0.91 -0.06 1.23 -1.65 0.00 0.00 177.43 177.87 5nul h GLY 105 N 1.11 0.00 0.08 2.83 0.00 0.13 -0.65 103.07 106.57 5nul h GLY 105 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 5nul h GLY 105 CO -0.03 0.00 -0.02 -1.72 0.00 0.00 0.00 176.54 174.78 5nul n TYR 106 N -3.40 0.00 -0.31 5.60 4.01 -0.75 -4.91 117.16 117.40 5nul n TYR 106 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 5nul n TYR 106 Cb 0.21 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 5nul n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5nul n GLY 107 N 1.13 0.83 3.84 2.72 0.00 -0.25 -3.63 105.19 109.83 5nul n GLY 107 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 5nul n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5nul s VAL 109 N -2.76 4.27 -0.54 0.00 1.01 0.10 -4.44 120.40 118.04 5nul s VAL 109 Ca 0.59 -1.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 5nul s VAL 109 Cb -0.11 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.86 5nul s VAL 109 CO 0.39 -0.26 1.24 -0.69 0.00 0.00 0.00 175.10 175.78 5nul s VAL 110 N 1.48 4.01 0.12 2.92 1.01 -1.26 -1.09 120.40 127.59 5nul s VAL 110 Ca 0.01 0.95 0.17 0.00 0.00 0.00 0.00 61.98 63.10 5nul s VAL 110 Cb -0.20 -4.60 0.09 0.00 0.00 0.00 0.00 36.38 31.67 5nul s VAL 110 CO 0.05 -1.18 1.64 -0.37 0.00 0.00 0.00 175.10 175.24 5nul h VAL 111 N 6.24 0.98 -4.35 2.92 -1.51 -1.67 -3.47 116.25 115.40 5nul h VAL 111 Ca -0.25 -1.82 -0.23 0.00 -1.23 0.00 0.00 66.70 63.17 5nul h VAL 111 Cb 1.07 2.09 -0.15 0.00 -2.13 0.00 0.00 31.29 32.17 5nul h VAL 111 CO 1.16 0.45 -0.64 -1.61 -1.23 0.00 0.00 177.57 175.70 5nul s GLU 112 N -3.44 1.08 0.22 5.19 0.41 -1.26 -5.09 118.70 115.81 5nul s GLU 112 Ca 0.01 -1.54 -0.30 0.00 -0.41 0.00 0.00 54.97 52.72 5nul s GLU 112 Cb 0.10 0.15 -0.10 0.00 -1.78 0.00 0.00 34.13 32.51 5nul s GLU 112 CO 0.71 -0.29 1.45 0.99 -0.49 0.00 0.00 175.26 177.62 5nul s THR 113 N -4.02 2.76 0.36 3.63 2.01 -1.26 -4.79 115.64 114.33 5nul s THR 113 Ca 0.30 0.61 -0.28 0.00 0.31 0.00 0.00 61.69 62.63 5nul s THR 113 Cb 0.07 -3.39 -0.11 0.00 0.01 0.00 0.00 72.50 69.08 5nul s THR 113 CO 0.07 0.08 1.49 -2.65 -0.69 0.00 0.00 174.62 172.91 5nul n PRO 114 N 2.79 2.63 -3.22 4.92 -0.02 -1.26 -4.87 135.00 135.96 5nul n PRO 114 Ca 0.08 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 62.08 5nul n PRO 114 Cb 0.40 -2.65 -0.08 0.00 -0.02 0.00 0.00 33.50 31.16 5nul n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 5nul s LEU 115 N -1.72 4.16 -0.07 2.45 2.96 -0.43 -4.97 118.68 121.07 5nul s LEU 115 Ca 0.55 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.81 5nul s LEU 115 Cb -0.49 -2.65 -0.00 0.00 0.50 0.00 0.00 46.19 43.55 5nul s LEU 115 CO 0.61 -0.38 -0.21 0.27 -1.32 0.00 0.00 176.35 175.32 5nul s ILE 116 N 2.39 1.76 -0.03 6.68 -4.36 -1.26 -1.58 121.20 124.80 5nul s ILE 116 Ca 0.21 -0.87 0.04 0.00 -0.26 0.00 0.00 60.65 59.76 5nul s ILE 116 Cb -0.15 -1.52 -0.00 0.00 1.25 0.00 0.00 42.46 42.04 5nul s ILE 116 CO 0.11 0.49 -0.14 -0.69 0.24 0.00 0.00 174.94 174.95 5nul s VAL 117 N 0.18 1.19 -0.17 8.37 1.01 -0.96 -5.01 120.40 125.01 5nul s VAL 117 Ca -0.10 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 5nul s VAL 117 Cb -0.15 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 5nul s VAL 117 CO 0.05 0.35 1.04 -1.58 0.00 0.00 0.00 175.10 174.96 5nul s GLN 118 N -0.03 4.33 3.67 2.72 0.74 -1.26 -1.55 119.66 128.27 5nul s GLN 118 Ca -0.01 1.40 0.00 0.00 0.05 0.00 0.00 55.36 56.80 5nul s GLN 118 Cb -0.09 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.42 5nul s GLN 118 CO 0.01 -0.50 0.00 0.09 -0.55 0.00 0.00 175.29 174.34 5nul n ASN 119 N 5.76 0.00 -4.77 6.67 3.02 0.26 -4.55 115.26 121.66 5nul n ASN 119 Ca 0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 5nul n ASN 119 Cb 0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 5nul n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 5nul s GLU 120 N 0.00 4.44 0.18 3.52 2.12 -1.26 -4.74 118.70 122.96 5nul s GLU 120 Ca 0.00 2.10 -0.25 0.00 0.36 0.00 0.00 54.97 57.17 5nul s GLU 120 Cb 0.00 -3.11 0.05 0.00 0.26 0.00 0.00 34.13 31.34 5nul s GLU 120 CO 0.00 -0.07 1.56 -1.35 -0.54 0.00 0.00 175.26 174.85 5nul h PRO 121 N 3.54 -0.12 0.00 4.30 0.11 -1.84 -3.44 132.00 134.55 5nul h PRO 121 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 5nul h PRO 121 Cb 1.22 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 5nul h PRO 121 CO 0.66 -0.08 0.00 -3.47 -0.21 0.00 0.00 178.00 174.90 5nul n ASP 122 N -5.38 0.00 0.27 -2.05 2.03 -1.26 -0.36 116.55 109.80 5nul n ASP 122 Ca 0.04 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.47 5nul n ASP 122 Cb 0.34 0.00 0.76 0.00 -0.72 0.00 0.00 41.12 41.50 5nul n ASP 122 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 5nul h GLU 123 N 0.00 0.00 -0.32 -0.67 4.57 -1.99 -1.94 114.58 114.24 5nul h GLU 123 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 5nul h GLU 123 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 5nul h GLU 123 CO 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 179.01 177.90 5nul n ALA 124 N -2.35 2.48 -0.18 2.92 0.00 0.52 -4.33 120.51 119.57 5nul n ALA 124 Ca -0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 5nul n ALA 124 Cb 0.17 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.71 5nul n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 5nul h GLU 125 N 1.68 0.48 -0.50 0.00 5.08 -1.49 -1.73 114.58 118.10 5nul h GLU 125 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 5nul h GLU 125 Cb 0.42 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 5nul h GLU 125 CO 0.01 0.32 0.13 0.37 -1.00 0.00 0.00 179.01 178.84 5nul h GLN 126 N 0.49 0.76 -0.90 2.33 5.75 -1.84 -1.41 115.11 120.29 5nul h GLN 126 Ca 0.26 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 5nul h GLN 126 Cb 0.21 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 5nul h GLN 126 CO -0.20 0.68 0.59 -0.44 -2.65 0.00 0.00 178.83 176.80 5nul h ASP 127 N 0.74 0.93 -0.27 -0.69 3.32 -1.62 0.16 116.42 118.99 5nul h ASP 127 Ca 0.17 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 5nul h ASP 127 Cb 0.25 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 5nul h ASP 127 CO -0.00 0.62 -0.01 0.00 -1.72 0.00 0.00 179.24 178.13 5nul h ILE 129 N 0.25 1.12 -0.38 0.00 2.04 -0.76 -2.47 117.51 117.32 5nul h ILE 129 Ca 0.07 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 5nul h ILE 129 Cb 0.44 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 5nul h ILE 129 CO 0.02 0.12 0.09 -0.33 0.00 0.00 0.00 178.15 178.04 5nul h GLU 130 N 0.65 0.56 -0.42 2.37 4.39 -0.60 -1.01 114.58 120.52 5nul h GLU 130 Ca 0.18 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 5nul h GLU 130 Cb -0.07 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 5nul h GLU 130 CO -0.04 0.52 0.19 0.35 -1.16 0.00 0.00 179.01 178.87 5nul h PHE 131 N 0.55 0.61 -0.78 4.33 3.57 -0.97 -0.88 116.94 123.36 5nul h PHE 131 Ca 0.13 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.62 5nul h PHE 131 Cb 0.22 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 5nul h PHE 131 CO 0.01 0.51 0.51 0.78 -2.23 0.00 0.00 178.31 177.88 5nul h GLY 132 N 0.53 1.12 1.24 2.40 0.00 -0.91 -1.94 103.07 105.51 5nul h GLY 132 Ca 0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 5nul h GLY 132 CO -0.02 0.36 0.26 0.50 0.00 0.00 0.00 176.54 177.64 5nul h LYS 133 N 1.01 0.98 -0.36 4.80 1.57 -0.60 -0.73 116.57 123.24 5nul h LYS 133 Ca 0.30 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 5nul h LYS 133 Cb -0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 5nul h LYS 133 CO -0.09 0.80 0.13 0.87 -0.57 0.00 0.00 179.45 180.58 5nul h LYS 134 N 0.96 0.54 -0.82 3.15 1.57 -0.55 -2.15 116.57 119.27 5nul h LYS 134 Ca 0.22 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 5nul h LYS 134 Cb 0.19 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 5nul h LYS 134 CO -0.02 0.55 0.48 0.82 -0.57 0.00 0.00 179.45 180.71 5nul h ILE 135 N 0.43 1.23 0.00 1.86 2.04 -0.98 -1.48 117.51 120.61 5nul h ILE 135 Ca 0.12 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 5nul h ILE 135 Cb 0.22 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 5nul h ILE 135 CO -0.01 0.25 -0.01 0.00 0.00 0.00 0.00 178.15 178.39 5nul h ALA 136 N 1.26 1.01 -0.01 1.87 0.00 -0.78 -2.36 119.26 120.25 5nul h ALA 136 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 5nul h ALA 136 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 5nul h ALA 136 CO -0.05 0.01 -0.06 0.09 0.00 0.00 0.00 179.25 179.23 5nul n ASN 137 N -3.11 1.21 0.00 0.00 4.13 -0.56 -5.07 115.26 111.85 5nul n ASN 137 Ca -0.01 -1.26 0.13 0.00 1.68 0.00 0.00 54.58 55.12 5nul n ASN 137 Cb 0.20 0.02 0.77 0.00 -1.54 0.00 0.00 39.78 39.24 5nul n ASN 137 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16