#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4nul s LYS 2 N 0.00 0.30 -0.17 0.03 1.02 -1.26 -1.12 119.74 118.54 4nul s LYS 2 Ca 0.00 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.80 4nul s LYS 2 Cb 0.00 -0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.08 4nul s LYS 2 CO 0.00 0.06 -0.19 0.42 -0.92 0.00 0.00 175.35 174.73 4nul s ILE 3 N -0.27 1.92 -0.11 2.17 1.01 0.20 -3.58 121.20 122.55 4nul s ILE 3 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 4nul s ILE 3 Cb -0.03 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 4nul s ILE 3 CO -0.00 0.52 -0.08 -0.69 0.00 0.00 0.00 174.94 174.68 4nul s VAL 4 N 1.28 3.52 0.19 2.92 1.01 -0.31 0.35 120.40 129.36 4nul s VAL 4 Ca 0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 4nul s VAL 4 Cb -0.13 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.77 4nul s VAL 4 CO -0.11 0.54 0.39 -0.72 0.00 0.00 0.00 175.10 175.21 4nul s TYR 5 N -0.11 0.21 -0.02 5.22 1.13 -0.74 -1.47 117.35 121.57 4nul s TYR 5 Ca 0.01 -0.57 0.04 0.00 -1.41 0.00 0.00 57.07 55.14 4nul s TYR 5 Cb -0.13 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.86 4nul s TYR 5 CO 0.03 -0.83 -0.13 -0.46 -2.51 0.00 0.00 175.55 171.65 4nul s TRP 6 N -3.94 1.25 -0.12 -3.49 -0.00 -0.78 -0.02 118.94 111.85 4nul s TRP 6 Ca 0.15 -0.27 -0.06 0.00 -0.00 0.00 0.00 56.10 55.91 4nul s TRP 6 Cb 0.01 -0.82 0.05 0.00 -0.00 0.00 0.00 33.47 32.70 4nul s TRP 6 CO 0.00 -0.06 0.28 0.45 -0.00 0.00 0.00 176.95 177.62 4nul s SER 7 N -0.17 -0.31 -0.08 5.86 0.15 -1.26 -3.88 113.70 114.01 4nul s SER 7 Ca 0.02 0.59 0.11 0.00 0.70 0.00 0.00 55.95 57.37 4nul s SER 7 Cb -0.07 0.49 -0.24 0.00 -1.71 0.00 0.00 66.02 64.49 4nul s SER 7 CO 0.00 -0.16 0.51 0.61 1.20 0.00 0.00 173.24 175.40 4nul n GLY 8 N 4.06 -0.94 0.00 9.45 0.00 -1.26 -4.52 105.19 111.98 4nul n GLY 8 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.67 4nul n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 4nul n THR 9 N -3.05 0.00 0.00 2.61 -2.24 -1.26 -5.03 114.28 105.32 4nul n THR 9 Ca -0.22 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 4nul n THR 9 Cb 1.07 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.37 4nul n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4nul n GLY 10 N 0.51 0.76 0.06 3.38 0.00 -1.26 -5.01 105.19 103.63 4nul n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 4nul n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 4nul h ASN 11 N 0.00 0.01 0.26 1.61 -0.26 -1.94 -1.77 115.58 113.49 4nul h ASN 11 Ca 0.00 -0.48 -0.09 0.00 -0.56 0.00 0.00 56.30 55.16 4nul h ASN 11 Cb 0.00 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 4nul h ASN 11 CO 0.00 0.49 -0.37 0.74 -1.06 0.00 0.00 177.43 177.23 4nul h THR 12 N -0.47 1.29 -0.58 2.81 2.02 -1.89 -2.28 112.91 113.81 4nul h THR 12 Ca 0.00 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 65.74 4nul h THR 12 Cb 0.49 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 4nul h THR 12 CO 0.00 0.41 0.19 -0.08 0.37 0.00 0.00 175.52 176.41 4nul h GLU 13 N 0.14 0.89 -0.68 6.66 4.81 -1.84 -0.75 114.58 123.81 4nul h GLU 13 Ca 0.01 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 4nul h GLU 13 Cb 0.73 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 4nul h GLU 13 CO 0.06 0.80 0.13 -0.22 -0.73 0.00 0.00 179.01 179.05 4nul h LYS 14 N 0.81 1.12 -0.55 1.92 3.64 -1.04 -1.78 116.57 120.68 4nul h LYS 14 Ca 0.19 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 4nul h LYS 14 Cb 0.28 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 4nul h LYS 14 CO -0.01 1.01 0.36 0.52 -2.27 0.00 0.00 179.45 179.06 4nul h MET 15 N 1.05 0.71 -0.61 1.90 2.86 -1.03 -1.76 114.93 118.06 4nul h MET 15 Ca 0.21 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.85 4nul h MET 15 Cb 0.42 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 4nul h MET 15 CO 0.01 0.47 0.34 0.00 1.06 0.00 0.00 176.91 178.79 4nul h ALA 16 N 1.21 0.80 -0.84 6.32 0.00 -0.74 -0.03 119.26 125.99 4nul h ALA 16 Ca 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 4nul h ALA 16 Cb -0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 4nul h ALA 16 CO -0.05 0.03 0.46 0.93 0.00 0.00 0.00 179.25 180.62 4nul h GLU 17 N 0.65 1.17 -0.43 0.00 5.08 -0.86 -1.13 114.58 119.07 4nul h GLU 17 Ca 0.27 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 4nul h GLU 17 Cb 0.13 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 4nul h GLU 17 CO -0.15 0.86 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.33 4nul h LEU 18 N 1.17 1.01 -0.64 1.33 3.38 -0.75 -0.49 115.31 120.31 4nul h LEU 18 Ca 0.30 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 4nul h LEU 18 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 4nul h LEU 18 CO -0.05 1.23 0.22 0.40 0.09 0.00 0.00 178.44 180.33 4nul h ILE 19 N 0.80 1.24 -0.55 1.22 2.04 -0.87 -1.90 117.51 119.49 4nul h ILE 19 Ca 0.08 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 4nul h ILE 19 Cb 0.90 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 4nul h ILE 19 CO 0.08 0.32 0.28 0.00 0.00 0.00 0.00 178.15 178.83 4nul h ALA 20 N 1.09 0.71 -0.96 1.87 0.00 -1.02 -1.96 119.26 118.99 4nul h ALA 20 Ca 0.21 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.09 4nul h ALA 20 Cb 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 4nul h ALA 20 CO -0.01 0.25 0.61 -0.22 0.00 0.00 0.00 179.25 179.88 4nul h LYS 21 N 0.74 1.04 -0.64 0.00 3.64 -0.70 -0.24 116.57 120.41 4nul h LYS 21 Ca 0.19 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 4nul h LYS 21 Cb 0.08 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 4nul h LYS 21 CO -0.03 0.69 0.24 0.78 -2.27 0.00 0.00 179.45 178.86 4nul h GLY 22 N 1.07 1.03 0.92 5.01 0.00 -0.66 0.41 103.07 110.85 4nul h GLY 22 Ca 0.43 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 4nul h GLY 22 CO -0.20 0.54 0.04 -2.22 0.00 0.00 0.00 176.54 174.70 4nul h ILE 23 N 0.90 1.24 -0.61 2.60 2.04 -0.67 -2.30 117.51 120.71 4nul h ILE 23 Ca 0.21 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 4nul h ILE 23 Cb 0.23 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 4nul h ILE 23 CO -0.01 0.29 0.27 0.40 0.00 0.00 0.00 178.15 179.10 4nul h ILE 24 N 0.43 1.22 0.00 -0.67 2.04 -0.83 -2.12 117.51 117.58 4nul h ILE 24 Ca 0.11 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 4nul h ILE 24 Cb 0.39 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 4nul h ILE 24 CO 0.01 0.26 -0.06 -0.33 0.00 0.00 0.00 178.15 178.03 4nul h GLU 25 N 0.84 0.00 0.00 2.37 5.08 -0.75 0.11 114.58 122.24 4nul h GLU 25 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 4nul h GLU 25 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 4nul h GLU 25 CO -0.02 0.06 0.00 0.43 -1.00 0.00 0.00 179.01 178.48 4nul n SER 26 N -4.15 0.00 0.00 1.42 7.64 -0.83 -4.89 113.62 112.81 4nul n SER 26 Ca -0.03 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.87 4nul n SER 26 Cb 0.15 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 4nul n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4nul n GLY 27 N 0.83 0.64 3.84 0.23 0.00 0.38 -5.09 105.19 106.02 4nul n GLY 27 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 4nul n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4nul s LYS 28 N -0.81 3.00 0.29 1.61 1.02 -0.99 -5.00 119.74 118.85 4nul s LYS 28 Ca 0.00 -0.95 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 4nul s LYS 28 Cb 0.00 -2.64 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 4nul s LYS 28 CO 0.00 0.43 0.60 0.34 -0.92 0.00 0.00 175.35 175.80 4nul s ASP 29 N -3.63 6.54 -0.20 2.83 2.15 -1.26 -3.42 116.67 119.68 4nul s ASP 29 Ca 0.33 0.89 -0.27 0.00 0.43 0.00 0.00 52.55 53.92 4nul s ASP 29 Cb -0.09 -2.21 0.08 0.00 -0.30 0.00 0.00 42.92 40.40 4nul s ASP 29 CO 0.25 -0.19 0.76 0.54 -0.17 0.00 0.00 175.17 176.36 4nul s VAL 30 N -2.04 0.00 -0.05 1.11 0.11 -1.26 -1.56 120.40 116.71 4nul s VAL 30 Ca 0.47 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.58 4nul s VAL 30 Cb -0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 4nul s VAL 30 CO 0.26 0.00 -0.25 0.20 -3.33 0.00 0.00 175.10 171.98 4nul s ASN 31 N -0.19 3.08 -0.20 3.54 -0.87 -0.28 -4.91 114.94 115.12 4nul s ASN 31 Ca -0.03 -0.50 -0.10 0.00 -1.57 0.00 0.00 52.86 50.67 4nul s ASN 31 Cb -0.03 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.25 40.42 4nul s ASN 31 CO 0.03 0.26 0.12 0.42 -2.57 0.00 0.00 177.10 175.37 4nul s THR 32 N -0.28 5.28 -0.08 1.60 -4.23 -1.26 -0.63 115.64 116.05 4nul s THR 32 Ca -0.00 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 4nul s THR 32 Cb -0.13 -3.42 0.02 0.00 1.34 0.00 0.00 72.50 70.31 4nul s THR 32 CO 0.03 0.43 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.79 4nul s ILE 33 N 0.50 1.13 0.38 2.99 1.01 0.16 -4.94 121.20 122.42 4nul s ILE 33 Ca 0.07 -0.44 -0.26 0.00 0.00 0.00 0.00 60.65 60.02 4nul s ILE 33 Cb -0.12 -1.07 -0.09 0.00 0.01 0.00 0.00 42.46 41.20 4nul s ILE 33 CO -0.00 0.36 1.17 0.21 0.00 0.00 0.00 174.94 176.68 4nul s ASN 34 N 0.99 6.66 0.44 3.58 2.47 -1.26 -1.79 114.94 126.03 4nul s ASN 34 Ca -0.08 2.36 0.22 0.00 0.42 0.00 0.00 52.86 55.77 4nul s ASN 34 Cb -0.15 -2.62 1.19 0.00 -1.45 0.00 0.00 41.25 38.22 4nul s ASN 34 CO -0.00 -0.58 1.82 1.62 -3.72 0.00 0.00 177.10 176.24 4nul h VAL 35 N 2.50 0.57 0.00 -5.21 3.04 -0.79 -0.58 116.25 115.78 4nul h VAL 35 Ca -0.48 -0.11 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 4nul h VAL 35 Cb 1.23 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 4nul h VAL 35 CO 0.63 0.06 -0.00 0.77 -1.01 0.00 0.00 177.57 178.02 4nul h SER 36 N 0.31 0.00 -0.42 3.17 4.64 -1.91 -2.91 113.55 116.43 4nul h SER 36 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 4nul h SER 36 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 4nul h SER 36 CO -0.19 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.24 4nul n ASP 37 N -3.09 3.46 -4.79 4.97 8.00 -0.23 -5.02 116.55 119.85 4nul n ASP 37 Ca -0.00 -2.23 -0.37 0.00 0.71 0.00 0.00 54.79 52.89 4nul n ASP 37 Cb 0.25 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 4nul n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 4nul s VAL 38 N -1.42 4.30 -0.33 2.53 0.11 -1.10 -4.93 120.40 119.55 4nul s VAL 38 Ca 0.33 1.70 -0.07 0.00 -2.93 0.00 0.00 61.98 61.01 4nul s VAL 38 Cb 0.20 -3.98 0.03 0.00 -1.53 0.00 0.00 36.38 31.10 4nul s VAL 38 CO 0.18 0.17 0.12 0.21 -3.33 0.00 0.00 175.10 172.45 4nul s ASN 39 N -1.61 5.34 0.16 3.54 3.84 -1.26 -5.00 114.94 119.94 4nul s ASN 39 Ca 0.48 -0.98 -0.18 0.00 0.21 0.00 0.00 52.86 52.39 4nul s ASN 39 Cb -0.18 -1.90 0.07 0.00 -0.55 0.00 0.00 41.25 38.68 4nul s ASN 39 CO 0.23 -0.30 1.67 0.40 -2.79 0.00 0.00 177.10 176.31 4nul h ILE 40 N 6.03 0.59 -0.85 -5.21 1.08 -1.99 -1.75 117.51 115.42 4nul h ILE 40 Ca -0.26 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 4nul h ILE 40 Cb 1.10 0.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 4nul h ILE 40 CO 0.61 0.00 0.52 0.44 -0.69 0.00 0.00 178.15 179.04 4nul h ASP 41 N -0.05 0.82 0.47 1.72 3.32 -2.00 -1.15 116.42 119.55 4nul h ASP 41 Ca 0.17 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 4nul h ASP 41 Cb 0.30 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 4nul h ASP 41 CO -0.38 0.53 -0.74 -0.33 -1.72 0.00 0.00 179.24 176.60 4nul h GLU 42 N 0.96 0.22 -0.19 3.56 5.08 -1.94 -3.10 114.58 119.17 4nul h GLU 42 Ca 0.37 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 4nul h GLU 42 Cb 0.17 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 4nul h GLU 42 CO -0.17 0.87 -0.31 1.25 -1.00 0.00 0.00 179.01 179.65 4nul h LEU 43 N 0.15 0.37 0.00 1.33 5.85 -0.48 -2.85 115.31 119.68 4nul h LEU 43 Ca -0.03 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.56 4nul h LEU 43 Cb 1.31 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.24 4nul h LEU 43 CO 0.11 0.67 0.00 0.18 -0.34 0.00 0.00 178.44 179.06 4nul n LEU 44 N -4.10 0.00 0.01 2.25 4.77 -0.52 -2.22 117.00 117.20 4nul n LEU 44 Ca -0.01 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 4nul n LEU 44 Cb 0.42 -0.44 0.37 0.00 -2.33 0.00 0.00 43.42 41.44 4nul n LEU 44 CO 0.42 -0.18 0.63 0.59 -1.33 0.00 0.00 177.39 177.51 4nul n ASN 45 N -1.44 0.35 -4.77 -1.43 5.03 -1.07 -4.89 115.26 107.04 4nul n ASN 45 Ca 0.05 0.05 -0.39 0.00 0.87 0.00 0.00 54.58 55.16 4nul n ASN 45 Cb 0.19 -0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 38.89 4nul n ASN 45 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 4nul s GLU 46 N -3.01 4.21 0.16 3.52 0.41 -0.94 -4.95 118.70 118.09 4nul s GLU 46 Ca 0.12 1.82 -0.07 0.00 -0.41 0.00 0.00 54.97 56.42 4nul s GLU 46 Cb 0.18 -2.79 0.02 0.00 -1.78 0.00 0.00 34.13 29.76 4nul s GLU 46 CO 0.64 -0.18 1.46 0.22 -0.49 0.00 0.00 175.26 176.91 4nul h ASP 47 N 2.90 0.79 -3.45 -0.19 3.58 -1.90 -3.44 116.42 114.72 4nul h ASP 47 Ca -0.48 -0.42 -0.53 0.00 0.42 0.00 0.00 57.03 56.01 4nul h ASP 47 Cb 1.23 -0.23 -0.33 0.00 1.72 0.00 0.00 39.33 41.72 4nul h ASP 47 CO 0.64 1.18 -0.82 -0.63 -2.88 0.00 0.00 179.24 176.72 4nul s ILE 48 N -4.07 1.23 -0.24 2.25 1.01 -1.26 -3.54 121.20 116.58 4nul s ILE 48 Ca -0.09 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 4nul s ILE 48 Cb 0.11 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 4nul s ILE 48 CO 0.87 0.38 0.21 -0.76 0.00 0.00 0.00 174.94 175.63 4nul s LEU 49 N 0.58 4.10 -0.32 2.97 1.43 -0.21 -4.66 118.68 122.58 4nul s LEU 49 Ca -0.14 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 4nul s LEU 49 Cb -0.16 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.92 4nul s LEU 49 CO 0.04 0.01 0.08 -0.63 0.23 0.00 0.00 176.35 176.08 4nul s ILE 50 N 1.26 3.68 -0.07 -0.59 1.01 -1.23 -1.02 121.20 124.24 4nul s ILE 50 Ca 0.09 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.75 4nul s ILE 50 Cb -0.14 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 4nul s ILE 50 CO 0.06 -0.08 -0.23 -0.76 0.00 0.00 0.00 174.94 173.93 4nul s LEU 51 N 1.40 2.04 0.02 2.97 1.43 -0.26 -1.17 118.68 125.12 4nul s LEU 51 Ca -0.01 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 4nul s LEU 51 Cb -0.19 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 4nul s LEU 51 CO 0.02 0.20 -0.08 -0.83 0.23 0.00 0.00 176.35 175.89 4nul s GLY 52 N 0.07 0.46 -0.28 -3.19 0.00 -0.54 -1.89 107.32 101.95 4nul s GLY 52 Ca -0.09 -0.58 -0.21 0.00 0.00 0.00 0.00 44.72 43.83 4nul s GLY 52 CO 0.05 -0.58 0.86 0.00 0.00 0.00 0.00 173.10 173.43 4nul s SER 54 N 0.77 3.57 -0.36 0.00 1.04 -1.25 -4.32 113.70 113.16 4nul s SER 54 Ca -0.03 1.26 -0.28 0.00 0.48 0.00 0.00 55.95 57.38 4nul s SER 54 Cb -0.05 -1.93 0.02 0.00 0.10 0.00 0.00 66.02 64.16 4nul s SER 54 CO -0.09 -2.54 1.06 0.00 0.98 0.00 0.00 173.24 172.65 4nul s ALA 55 N -3.08 3.42 0.51 5.32 0.00 -0.64 -4.38 121.76 122.92 4nul s ALA 55 Ca 0.63 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.48 4nul s ALA 55 Cb -0.16 -3.69 0.05 0.00 0.00 0.00 0.00 23.12 19.31 4nul s ALA 55 CO 0.56 -1.65 0.67 -1.64 0.00 0.00 0.00 175.76 173.70 4nul s MET 56 N 3.78 2.51 -0.07 0.00 -1.94 0.21 -4.83 119.30 118.95 4nul s MET 56 Ca 0.45 -1.50 -0.11 0.00 -1.71 0.00 0.00 55.69 52.82 4nul s MET 56 Cb -0.11 -2.66 -0.05 0.00 2.01 0.00 0.00 34.83 34.02 4nul s MET 56 CO 0.19 -0.60 0.27 0.20 -0.01 0.00 0.00 175.02 175.07 4nul s GLY 57 N -4.51 2.31 -0.50 -0.03 0.00 -1.26 -0.74 107.32 102.59 4nul s GLY 57 Ca 0.57 -0.44 -0.17 0.00 0.00 0.00 0.00 44.72 44.69 4nul s GLY 57 CO 0.35 -0.07 0.52 2.56 0.00 0.00 0.00 173.10 176.47 4nul s PRO 58 N -0.92 3.05 -1.16 2.90 0.04 -1.26 -4.72 135.00 132.93 4nul s PRO 58 Ca 0.19 -1.15 -0.13 0.00 0.04 0.00 0.00 61.00 59.94 4nul s PRO 58 Cb -0.14 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 4nul s PRO 58 CO 0.08 -1.16 0.79 0.39 0.04 0.00 0.00 177.00 177.14 4nul n GLU 59 N 5.71 -2.13 -4.21 4.56 -0.58 0.08 -5.00 120.64 119.07 4nul n GLU 59 Ca -0.10 0.57 -0.12 0.00 -0.42 0.00 0.00 57.16 57.09 4nul n GLU 59 Cb 0.44 -4.68 -0.10 0.00 -0.57 0.00 0.00 31.44 26.53 4nul n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 4nul s VAL 60 N -3.50 0.26 0.63 2.62 -7.23 -0.04 -4.13 120.40 109.00 4nul s VAL 60 Ca 0.37 -1.96 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 4nul s VAL 60 Cb -0.11 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 4nul s VAL 60 CO 0.83 -0.27 1.09 -0.76 -0.31 0.00 0.00 175.10 175.68 4nul s LEU 61 N -3.14 3.45 0.23 1.32 1.43 -1.26 -0.62 118.68 120.08 4nul s LEU 61 Ca 0.30 1.93 -0.32 0.00 -1.03 0.00 0.00 54.13 55.02 4nul s LEU 61 Cb 0.07 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.62 4nul s LEU 61 CO 0.07 -1.42 1.53 1.21 0.23 0.00 0.00 176.35 177.96 4nul n GLU 62 N -2.21 2.31 0.11 1.70 0.00 -1.26 -4.75 120.64 116.55 4nul n GLU 62 Ca 0.10 0.83 -0.19 0.00 0.00 0.00 0.00 57.16 57.89 4nul n GLU 62 Cb 0.52 -2.56 -0.15 0.00 0.00 0.00 0.00 31.44 29.25 4nul n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 4nul h GLU 63 N 5.03 0.36 0.00 5.31 5.08 -1.97 -0.57 114.58 127.82 4nul h GLU 63 Ca -0.45 -0.62 -0.16 0.00 -1.00 0.00 0.00 59.36 57.13 4nul h GLU 63 Cb 1.25 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 4nul h GLU 63 CO 0.82 1.29 -0.76 0.66 -1.00 0.00 0.00 179.01 180.02 4nul h SER 64 N 0.10 0.00 0.00 1.42 4.64 -2.01 -3.40 113.55 114.31 4nul h SER 64 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 4nul h SER 64 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 4nul h SER 64 CO 0.22 0.76 -0.46 -0.62 -0.87 0.00 0.00 176.83 175.86 4nul n GLU 65 N -3.40 0.00 -0.01 4.77 1.02 -1.26 -4.80 120.64 116.95 4nul n GLU 65 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 4nul n GLU 65 Cb 0.80 -0.37 -0.08 0.00 -0.02 0.00 0.00 31.44 31.77 4nul n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 4nul h PHE 66 N 0.00 0.07 -0.35 -0.32 3.57 -1.84 -2.96 116.94 115.11 4nul h PHE 66 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 4nul h PHE 66 Cb 0.46 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 4nul h PHE 66 CO 0.00 0.37 0.22 1.49 -2.23 0.00 0.00 178.31 178.16 4nul h GLU 67 N -0.25 0.48 -0.67 1.11 4.81 -1.32 -1.62 114.58 117.11 4nul h GLU 67 Ca 0.01 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 4nul h GLU 67 Cb 0.35 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 4nul h GLU 67 CO 0.00 0.35 0.44 -1.35 -0.73 0.00 0.00 179.01 177.73 4nul h PRO 68 N 0.46 0.63 -0.23 0.92 0.11 -1.76 0.07 132.00 132.20 4nul h PRO 68 Ca 0.13 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 4nul h PRO 68 Cb -0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 4nul h PRO 68 CO -0.02 0.42 0.10 0.35 -0.21 0.00 0.00 178.00 178.64 4nul h PHE 69 N 0.65 0.34 -0.64 0.65 3.57 -1.26 -0.39 116.94 119.85 4nul h PHE 69 Ca 0.29 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 4nul h PHE 69 Cb 0.31 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 4nul h PHE 69 CO -0.00 0.34 0.38 0.82 -2.23 0.00 0.00 178.31 177.62 4nul h ILE 70 N 0.23 1.19 -0.52 1.41 1.08 -0.30 -2.14 117.51 118.47 4nul h ILE 70 Ca 0.08 -0.44 0.01 0.00 -0.39 0.00 0.00 64.86 64.12 4nul h ILE 70 Cb 0.14 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 4nul h ILE 70 CO -0.01 0.20 0.33 -0.33 -0.69 0.00 0.00 178.15 177.65 4nul h GLU 71 N 0.87 0.65 -0.53 2.37 4.39 -0.86 -0.86 114.58 120.60 4nul h GLU 71 Ca 0.23 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 4nul h GLU 71 Cb -0.01 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 4nul h GLU 71 CO -0.04 0.43 0.30 1.49 -1.16 0.00 0.00 179.01 180.03 4nul h GLU 72 N 0.67 0.74 0.00 2.33 4.81 -0.52 -2.89 114.58 119.72 4nul h GLU 72 Ca 0.19 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 4nul h GLU 72 Cb -0.05 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.18 4nul h GLU 72 CO -0.06 0.56 -0.17 0.44 -0.73 0.00 0.00 179.01 179.05 4nul n ILE 73 N -4.64 0.14 -0.33 2.32 -5.35 -0.86 -4.34 119.36 106.30 4nul n ILE 73 Ca 0.03 -0.08 0.22 0.00 -0.27 0.00 0.00 62.75 62.65 4nul n ILE 73 Cb 0.07 -0.31 0.48 0.00 -1.74 0.00 0.00 39.64 38.14 4nul n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 4nul h SER 74 N 0.00 0.51 0.47 7.28 4.64 -0.93 -0.73 113.55 124.78 4nul h SER 74 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 4nul h SER 74 Cb 0.57 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 4nul h SER 74 CO 0.00 0.08 -0.20 0.35 -0.87 0.00 0.00 176.83 176.19 4nul n THR 75 N -4.71 0.00 -0.28 2.95 -2.24 -1.26 -4.07 114.28 104.68 4nul n THR 75 Ca 0.26 -0.05 0.03 0.00 -2.27 0.00 0.00 64.05 62.03 4nul n THR 75 Cb 0.86 -0.02 0.08 0.00 -2.10 0.00 0.00 70.33 69.15 4nul n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 4nul n LYS 76 N -1.11 2.70 -0.09 -0.78 5.02 -0.29 -4.70 118.16 118.91 4nul n LYS 76 Ca 0.11 -1.89 0.04 0.00 -2.02 0.00 0.00 58.31 54.55 4nul n LYS 76 Cb 0.31 -1.20 0.08 0.00 -0.02 0.00 0.00 35.03 34.20 4nul n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 4nul n ILE 77 N -0.41 1.29 -1.75 -0.18 -5.35 -1.14 -5.00 119.36 106.82 4nul n ILE 77 Ca 0.07 -1.33 -0.42 0.00 -0.27 0.00 0.00 62.75 60.80 4nul n ILE 77 Cb 0.40 0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 38.57 4nul n ILE 77 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 4nul n SER 78 N -0.47 3.86 0.00 7.28 2.88 -1.25 -1.55 113.62 124.37 4nul n SER 78 Ca 0.08 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 4nul n SER 78 Cb 0.42 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 4nul n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4nul n GLY 79 N 2.11 2.27 3.82 0.46 0.00 0.73 -4.93 105.19 109.64 4nul n GLY 79 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 4nul n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4nul s LYS 80 N -0.08 4.21 0.11 1.61 1.02 -0.59 -4.73 119.74 121.28 4nul s LYS 80 Ca 0.00 1.00 -0.23 0.00 0.02 0.00 0.00 55.97 56.77 4nul s LYS 80 Cb 0.00 -2.37 -0.07 0.00 -0.52 0.00 0.00 37.83 34.87 4nul s LYS 80 CO 0.00 0.09 0.69 0.15 -0.92 0.00 0.00 175.35 175.36 4nul s LYS 81 N -2.91 4.41 0.02 1.68 1.02 -1.23 -0.56 119.74 122.18 4nul s LYS 81 Ca 0.57 0.97 0.01 0.00 0.02 0.00 0.00 55.97 57.54 4nul s LYS 81 Cb -0.11 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 4nul s LYS 81 CO 0.16 0.55 -0.05 0.14 -0.92 0.00 0.00 175.35 175.23 4nul s VAL 82 N -0.94 0.36 -0.06 3.17 -7.23 0.04 -1.04 120.40 114.70 4nul s VAL 82 Ca 0.33 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 4nul s VAL 82 Cb -0.21 -0.42 0.01 0.00 0.56 0.00 0.00 36.38 36.31 4nul s VAL 82 CO 0.23 -0.29 -0.14 0.00 -0.31 0.00 0.00 175.10 174.58 4nul s ALA 83 N -1.07 1.36 0.08 1.32 0.00 -0.18 -1.15 121.76 122.12 4nul s ALA 83 Ca -0.09 -0.53 0.10 0.00 0.00 0.00 0.00 51.96 51.44 4nul s ALA 83 Cb -0.08 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 4nul s ALA 83 CO -0.00 0.18 -0.26 -0.51 0.00 0.00 0.00 175.76 175.17 4nul s LEU 84 N 0.37 2.23 0.23 0.00 1.43 -1.26 -1.10 118.68 120.58 4nul s LEU 84 Ca -0.10 -0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 52.20 4nul s LEU 84 Cb -0.14 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.88 4nul s LEU 84 CO 0.03 0.21 0.54 0.72 0.23 0.00 0.00 176.35 178.08 4nul s PHE 85 N -0.91 0.08 0.00 0.29 -0.71 -0.79 -1.20 117.98 114.73 4nul s PHE 85 Ca 0.12 -0.45 0.00 0.00 -1.04 0.00 0.00 56.93 55.56 4nul s PHE 85 Cb -0.10 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 4nul s PHE 85 CO 0.03 -1.01 0.00 0.41 -1.34 0.00 0.00 175.22 173.32 4nul n GLY 86 N -0.38 2.21 3.92 1.99 0.00 -0.50 -2.06 105.19 110.37 4nul n GLY 86 Ca -0.05 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 4nul n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4nul s SER 87 N 0.00 6.36 0.21 1.61 0.15 -1.26 -2.04 113.70 118.74 4nul s SER 87 Ca 0.00 0.28 -0.00 0.00 0.70 0.00 0.00 55.95 56.93 4nul s SER 87 Cb 0.00 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 4nul s SER 87 CO 0.00 0.17 0.14 -0.72 1.20 0.00 0.00 173.24 174.03 4nul s TYR 88 N -1.51 1.23 0.00 3.44 1.13 -0.55 -1.61 117.35 119.48 4nul s TYR 88 Ca 0.35 -1.38 0.00 0.00 -1.41 0.00 0.00 57.07 54.63 4nul s TYR 88 Cb -0.13 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.13 4nul s TYR 88 CO 0.27 -0.63 0.00 0.41 -2.51 0.00 0.00 175.55 173.10 4nul n GLY 89 N -0.31 0.24 0.02 5.49 0.00 -1.26 -0.59 105.19 108.77 4nul n GLY 89 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 4nul n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 4nul n TRP 90 N -0.13 0.15 -0.79 1.61 2.14 -1.26 -4.78 117.44 114.37 4nul n TRP 90 Ca 0.00 0.04 0.00 0.00 2.07 0.00 0.00 57.50 59.61 4nul n TRP 90 Cb 0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 31.31 30.18 4nul n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 4nul n GLY 91 N 1.44 -0.58 0.52 -1.67 0.00 -1.26 -5.03 105.19 98.60 4nul n GLY 91 Ca 0.04 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.41 4nul n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4nul n ASP 92 N -1.59 1.61 0.00 1.61 5.68 -1.26 -4.97 116.55 117.63 4nul n ASP 92 Ca 0.00 -3.09 0.00 0.00 -0.50 0.00 0.00 54.79 51.20 4nul n ASP 92 Cb 0.00 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 4nul n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4nul n GLY 93 N -0.86 0.96 0.24 6.12 0.00 -1.26 -5.00 105.19 105.40 4nul n GLY 93 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 4nul n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 4nul h LYS 94 N 3.55 0.48 -0.54 1.61 1.63 -1.94 -0.46 116.57 120.90 4nul h LYS 94 Ca 0.00 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 4nul h LYS 94 Cb 0.00 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 4nul h LYS 94 CO 0.00 0.32 0.36 0.11 -3.45 0.00 0.00 179.45 176.79 4nul h TRP 95 N 0.50 0.55 0.06 1.91 0.09 -1.95 -1.08 115.95 116.03 4nul h TRP 95 Ca 0.30 0.01 -0.25 0.00 0.09 0.00 0.00 58.89 59.04 4nul h TRP 95 Cb 0.31 -0.18 0.01 0.00 0.08 0.00 0.00 29.16 29.37 4nul h TRP 95 CO -0.13 0.31 -1.09 1.98 0.09 0.00 0.00 178.44 179.60 4nul h MET 96 N 0.56 0.41 -0.93 0.12 4.05 -1.49 -0.88 114.93 116.77 4nul h MET 96 Ca 0.23 -0.52 -0.01 0.00 -0.28 0.00 0.00 59.70 59.11 4nul h MET 96 Cb 0.19 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.11 4nul h MET 96 CO -0.06 1.19 0.54 0.00 0.23 0.00 0.00 176.91 178.81 4nul h ARG 97 N 0.19 1.28 -0.33 0.39 3.08 -0.49 -0.17 114.38 118.33 4nul h ARG 97 Ca -0.12 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.63 4nul h ARG 97 Cb 1.75 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 4nul h ARG 97 CO 0.19 0.91 -0.48 -0.44 -1.07 0.00 0.00 179.97 179.07 4nul h ASP 98 N 1.29 0.98 -0.42 7.04 3.32 -1.16 -2.27 116.42 125.19 4nul h ASP 98 Ca 0.33 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 4nul h ASP 98 Cb -0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 4nul h ASP 98 CO -0.06 1.29 0.21 0.15 -1.72 0.00 0.00 179.24 179.11 4nul h PHE 99 N 0.70 0.59 -0.13 4.55 3.57 -0.75 -0.48 116.94 124.98 4nul h PHE 99 Ca 0.03 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 4nul h PHE 99 Cb 1.08 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 4nul h PHE 99 CO 0.07 0.47 0.08 1.49 -2.23 0.00 0.00 178.31 178.19 4nul h GLU 100 N 0.54 0.18 -0.78 1.11 4.81 -1.04 -1.17 114.58 118.24 4nul h GLU 100 Ca 0.15 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 4nul h GLU 100 Cb 0.09 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 4nul h GLU 100 CO -0.02 0.19 0.47 1.49 -0.73 0.00 0.00 179.01 180.41 4nul h GLU 101 N 0.13 0.85 -0.08 1.92 4.81 -1.24 -1.35 114.58 119.62 4nul h GLU 101 Ca 0.05 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 4nul h GLU 101 Cb 0.06 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 4nul h GLU 101 CO -0.01 0.56 0.04 -0.09 -0.73 0.00 0.00 179.01 178.78 4nul h ARG 102 N 0.87 0.11 -0.68 1.92 2.43 -0.75 0.99 114.38 119.29 4nul h ARG 102 Ca 0.34 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 4nul h ARG 102 Cb 0.16 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 4nul h ARG 102 CO -0.17 0.16 0.29 0.52 -1.51 0.00 0.00 179.97 179.26 4nul h MET 103 N 0.04 0.98 -0.59 0.20 2.86 -0.97 -1.23 114.93 116.21 4nul h MET 103 Ca 0.03 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 4nul h MET 103 Cb 0.08 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 4nul h MET 103 CO -0.00 0.78 0.10 -0.91 1.06 0.00 0.00 176.91 177.94 4nul h ASN 104 N 0.97 0.94 0.13 1.22 2.35 -1.00 -1.72 115.58 118.47 4nul h ASN 104 Ca 0.23 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 4nul h ASN 104 Cb 0.15 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 4nul h ASN 104 CO -0.02 0.96 -0.09 1.23 -1.65 0.00 0.00 177.43 177.85 4nul h GLY 105 N 0.88 0.00 0.92 2.83 0.00 0.17 -0.75 103.07 107.12 4nul h GLY 105 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 4nul h GLY 105 CO 0.01 0.00 -0.01 -1.72 0.00 0.00 0.00 176.54 174.82 4nul n TYR 106 N -4.15 0.00 -0.17 5.60 4.01 -0.56 -4.90 117.16 116.99 4nul n TYR 106 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 4nul n TYR 106 Cb 0.17 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 4nul n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4nul n GLY 107 N 1.10 0.89 3.87 2.72 0.00 -0.29 -3.95 105.19 109.53 4nul n GLY 107 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 4nul n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4nul s VAL 109 N -3.17 3.67 -0.58 0.00 1.01 0.28 -4.42 120.40 117.18 4nul s VAL 109 Ca 0.55 -1.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 4nul s VAL 109 Cb -0.11 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.18 4nul s VAL 109 CO 0.54 -0.20 1.35 -0.69 0.00 0.00 0.00 175.10 176.10 4nul s VAL 110 N 1.37 3.83 0.34 2.92 1.01 -1.26 -0.78 120.40 127.83 4nul s VAL 110 Ca -0.02 0.70 0.16 0.00 0.00 0.00 0.00 61.98 62.83 4nul s VAL 110 Cb -0.20 -4.55 0.13 0.00 0.00 0.00 0.00 36.38 31.76 4nul s VAL 110 CO 0.02 -1.27 1.85 -0.37 0.00 0.00 0.00 175.10 175.32 4nul h VAL 111 N 6.30 1.09 -4.30 2.92 -1.51 -1.51 -3.46 116.25 115.77 4nul h VAL 111 Ca -0.26 -1.21 -0.16 0.00 -1.23 0.00 0.00 66.70 63.83 4nul h VAL 111 Cb 1.08 1.68 -0.15 0.00 -2.13 0.00 0.00 31.29 31.78 4nul h VAL 111 CO 1.19 0.33 -0.59 -1.61 -1.23 0.00 0.00 177.57 175.66 4nul s GLU 112 N -4.08 0.93 0.24 5.19 0.41 -1.26 -5.10 118.70 115.03 4nul s GLU 112 Ca -0.02 -1.36 -0.31 0.00 -0.41 0.00 0.00 54.97 52.87 4nul s GLU 112 Cb 0.14 0.26 -0.11 0.00 -1.78 0.00 0.00 34.13 32.64 4nul s GLU 112 CO 0.70 -0.27 1.60 0.99 -0.49 0.00 0.00 175.26 177.79 4nul s THR 113 N -4.02 2.22 0.38 3.63 2.01 -1.26 -4.76 115.64 113.84 4nul s THR 113 Ca 0.21 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 4nul s THR 113 Cb 0.07 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 69.36 4nul s THR 113 CO 0.00 0.02 1.48 -2.65 -0.69 0.00 0.00 174.62 172.78 4nul n PRO 114 N 2.95 2.62 -3.21 4.92 -0.02 -1.26 -4.87 135.00 136.12 4nul n PRO 114 Ca 0.11 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 62.09 4nul n PRO 114 Cb 0.37 -2.66 -0.07 0.00 -0.02 0.00 0.00 33.50 31.12 4nul n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 4nul s LEU 115 N -2.09 4.29 -0.05 2.45 2.96 -0.34 -4.96 118.68 120.94 4nul s LEU 115 Ca 0.54 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.58 4nul s LEU 115 Cb -0.48 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 4nul s LEU 115 CO 0.63 -0.49 -0.23 0.27 -1.32 0.00 0.00 176.35 175.21 4nul s ILE 116 N 2.47 1.85 -0.01 6.68 -4.36 -1.26 -1.42 121.20 125.15 4nul s ILE 116 Ca 0.20 -0.96 0.04 0.00 -0.26 0.00 0.00 60.65 59.67 4nul s ILE 116 Cb -0.15 -1.57 -0.01 0.00 1.25 0.00 0.00 42.46 41.98 4nul s ILE 116 CO 0.13 0.52 -0.12 -0.69 0.24 0.00 0.00 174.94 175.02 4nul s VAL 117 N -0.17 0.97 -0.18 8.37 1.01 -0.86 -4.99 120.40 124.55 4nul s VAL 117 Ca -0.02 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 4nul s VAL 117 Cb -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 4nul s VAL 117 CO 0.03 0.28 0.87 -1.58 0.00 0.00 0.00 175.10 174.69 4nul s GLN 118 N -0.27 4.29 4.64 2.72 0.74 -1.26 -1.48 119.66 129.04 4nul s GLN 118 Ca 0.04 1.07 0.00 0.00 0.05 0.00 0.00 55.36 56.53 4nul s GLN 118 Cb -0.05 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.47 4nul s GLN 118 CO -0.00 -0.38 0.00 0.09 -0.55 0.00 0.00 175.29 174.45 4nul n ASN 119 N 5.41 0.00 -4.77 6.67 3.02 0.24 -4.67 115.26 121.16 4nul n ASN 119 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.22 4nul n ASN 119 Cb 0.48 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 4nul n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 4nul s GLU 120 N 0.00 4.36 0.01 3.52 2.12 -1.26 -4.72 118.70 122.73 4nul s GLU 120 Ca 0.00 1.82 -0.03 0.00 0.36 0.00 0.00 54.97 57.13 4nul s GLU 120 Cb 0.00 -2.92 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 4nul s GLU 120 CO 0.00 -0.05 1.05 -1.35 -0.54 0.00 0.00 175.26 174.36 4nul h PRO 121 N 3.21 -0.06 0.00 4.30 0.11 -1.83 -3.42 132.00 134.32 4nul h PRO 121 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 4nul h PRO 121 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 4nul h PRO 121 CO 0.65 -0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 4nul n ASP 122 N -2.75 0.00 0.22 -2.05 8.00 -1.26 -0.70 116.55 118.01 4nul n ASP 122 Ca -0.01 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 4nul n ASP 122 Cb 0.03 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.65 4nul n ASP 122 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 4nul h GLU 123 N 0.00 0.00 -0.58 -1.24 3.07 -1.99 -2.85 114.58 111.00 4nul h GLU 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 4nul h GLU 123 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 4nul h GLU 123 CO 0.00 0.24 0.00 0.00 -1.40 0.00 0.00 179.01 177.85 4nul n ALA 124 N -2.37 3.65 -0.22 3.43 0.00 0.12 -4.66 120.51 120.45 4nul n ALA 124 Ca -0.02 -1.87 0.01 0.00 0.00 0.00 0.00 53.44 51.56 4nul n ALA 124 Cb 0.33 -1.07 0.13 0.00 0.00 0.00 0.00 19.45 18.84 4nul n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 4nul h GLU 125 N 3.90 0.45 -0.37 0.00 5.08 -1.69 -1.73 114.58 120.24 4nul h GLU 125 Ca 0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 4nul h GLU 125 Cb 1.83 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 4nul h GLU 125 CO 0.42 0.30 -0.10 0.37 -1.00 0.00 0.00 179.01 178.99 4nul h GLN 126 N 0.46 0.63 -0.78 2.33 5.75 -1.87 -2.07 115.11 119.57 4nul h GLN 126 Ca 0.34 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 4nul h GLN 126 Cb 0.42 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 4nul h GLN 126 CO -0.32 0.73 0.51 -0.44 -2.65 0.00 0.00 178.83 176.66 4nul h ASP 127 N 0.58 0.84 -0.20 -0.69 3.32 -1.67 0.13 116.42 118.73 4nul h ASP 127 Ca 0.11 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 4nul h ASP 127 Cb 0.52 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 4nul h ASP 127 CO 0.03 0.58 -0.03 0.00 -1.72 0.00 0.00 179.24 178.10 4nul h ILE 129 N 0.11 1.10 -0.46 0.00 2.04 -0.84 -2.16 117.51 117.30 4nul h ILE 129 Ca 0.05 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 4nul h ILE 129 Cb 0.47 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 4nul h ILE 129 CO 0.02 0.13 0.15 -0.33 0.00 0.00 0.00 178.15 178.12 4nul h GLU 130 N 0.72 0.68 -0.53 2.37 4.39 -0.67 -1.18 114.58 120.36 4nul h GLU 130 Ca 0.22 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 4nul h GLU 130 Cb -0.02 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 4nul h GLU 130 CO -0.08 0.59 0.14 0.35 -1.16 0.00 0.00 179.01 178.84 4nul h PHE 131 N 0.67 0.88 -0.64 4.33 3.57 -0.77 -1.34 116.94 123.63 4nul h PHE 131 Ca 0.16 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 4nul h PHE 131 Cb 0.19 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 4nul h PHE 131 CO 0.01 0.76 0.36 0.78 -2.23 0.00 0.00 178.31 177.99 4nul h GLY 132 N 0.73 0.95 1.03 2.40 0.00 -0.78 -1.97 103.07 105.44 4nul h GLY 132 Ca 0.17 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 4nul h GLY 132 CO -0.00 0.41 0.55 0.50 0.00 0.00 0.00 176.54 177.99 4nul h LYS 133 N 0.88 1.28 -0.58 4.80 1.57 -0.83 -1.11 116.57 122.58 4nul h LYS 133 Ca 0.23 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 4nul h LYS 133 Cb 0.02 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 4nul h LYS 133 CO -0.04 0.90 0.23 0.87 -0.57 0.00 0.00 179.45 180.84 4nul h LYS 134 N 1.29 0.86 -0.50 3.15 1.57 -0.82 -2.54 116.57 119.58 4nul h LYS 134 Ca 0.33 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 4nul h LYS 134 Cb -0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 4nul h LYS 134 CO -0.06 0.75 0.09 0.82 -0.57 0.00 0.00 179.45 180.48 4nul h ILE 135 N 0.79 1.22 0.00 1.86 2.04 -0.84 -2.22 117.51 120.37 4nul h ILE 135 Ca 0.19 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 4nul h ILE 135 Cb 0.21 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 4nul h ILE 135 CO -0.01 0.31 -0.06 0.00 0.00 0.00 0.00 178.15 178.38 4nul h ALA 136 N 1.35 1.08 -0.03 1.87 0.00 -0.82 -2.50 119.26 120.21 4nul h ALA 136 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 4nul h ALA 136 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 4nul h ALA 136 CO 0.00 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.42 4nul n ASN 137 N -3.28 1.52 0.00 0.00 3.02 -0.84 -5.06 115.26 110.61 4nul n ASN 137 Ca -0.01 -1.52 0.15 0.00 -0.03 0.00 0.00 54.58 53.17 4nul n ASN 137 Cb 0.25 -0.01 0.91 0.00 -0.61 0.00 0.00 39.78 40.32 4nul n ASN 137 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26