#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksh s ILE 4 N 0.00 2.91 0.14 12.58 1.01 -1.26 -4.91 121.20 131.67 3ksh s ILE 4 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 3ksh s ILE 4 Cb 0.00 -2.51 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 3ksh s ILE 4 CO 0.00 0.15 1.27 0.21 0.00 0.00 0.00 174.94 176.57 3ksh s ASN 5 N 1.32 6.98 0.68 3.58 2.47 -1.26 -5.00 114.94 123.70 3ksh s ASN 5 Ca -0.01 2.24 -0.14 0.00 0.42 0.00 0.00 52.86 55.37 3ksh s ASN 5 Cb -0.17 -2.60 0.01 0.00 -1.45 0.00 0.00 41.25 37.04 3ksh s ASN 5 CO -0.04 -0.50 1.10 -2.16 -3.72 0.00 0.00 177.10 171.79 3ksh s PRO 6 N 0.41 2.74 -0.09 0.43 0.04 -1.26 -4.44 135.00 132.84 3ksh s PRO 6 Ca 0.58 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.96 3ksh s PRO 6 Cb -0.34 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 3ksh s PRO 6 CO 0.34 -1.29 -0.10 0.99 0.04 0.00 0.00 177.00 176.98 3ksh s THR 7 N -2.46 3.38 -1.21 1.26 2.01 -1.26 -4.94 115.64 112.42 3ksh s THR 7 Ca 0.65 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 3ksh s THR 7 Cb -0.19 -2.39 0.11 0.00 0.01 0.00 0.00 72.50 70.04 3ksh s THR 7 CO 0.44 0.57 1.55 0.21 -0.69 0.00 0.00 174.62 176.70 3ksh s ASN 8 N -0.39 6.88 0.50 3.53 3.04 -1.26 -4.78 114.94 122.45 3ksh s ASN 8 Ca 0.05 -2.53 0.15 0.00 0.04 0.00 0.00 52.86 50.57 3ksh s ASN 8 Cb -0.12 -2.50 1.18 0.00 -1.54 0.00 0.00 41.25 38.27 3ksh s ASN 8 CO 0.02 -1.03 2.11 1.88 -3.04 0.00 0.00 177.10 177.04 3ksh h TYR 9 N 7.72 0.05 -0.26 0.43 0.05 -1.97 -1.35 116.97 121.64 3ksh h TYR 9 Ca 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.13 3ksh h TYR 9 Cb 0.90 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 3ksh h TYR 9 CO 1.27 0.07 0.17 1.15 -1.05 0.00 0.00 178.16 179.76 3ksh h THR 10 N 0.05 1.09 -0.01 -2.88 2.02 -2.01 -0.73 112.91 110.44 3ksh h THR 10 Ca 0.01 -0.20 -0.19 0.00 0.77 0.00 0.00 66.41 66.81 3ksh h THR 10 Cb 0.06 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3ksh h THR 10 CO 0.00 0.09 -0.83 -0.07 0.37 0.00 0.00 175.52 175.07 3ksh h LEU 11 N 0.34 0.28 -1.18 2.58 3.38 -1.90 -3.22 115.31 115.59 3ksh h LEU 11 Ca 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3ksh h LEU 11 Cb -0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3ksh h LEU 11 CO -0.02 0.99 0.42 0.25 0.09 0.00 0.00 178.44 180.18 3ksh h LEU 12 N 0.13 0.87 -0.75 1.67 5.85 -0.87 -1.55 115.31 120.66 3ksh h LEU 12 Ca -0.04 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3ksh h LEU 12 Cb 1.44 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 3ksh h LEU 12 CO 0.13 0.68 0.38 0.11 -0.34 0.00 0.00 178.44 179.40 3ksh h LYS 13 N 1.00 1.07 -0.64 1.25 1.57 -1.15 0.59 116.57 120.26 3ksh h LYS 13 Ca 0.26 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3ksh h LYS 13 Cb -0.02 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3ksh h LYS 13 CO -0.05 0.82 0.16 0.87 -0.57 0.00 0.00 179.45 180.69 3ksh h LYS 14 N 1.05 1.02 -0.48 3.15 6.56 -1.45 -1.86 116.57 124.56 3ksh h LYS 14 Ca 0.26 -0.24 -0.06 0.00 -1.06 0.00 0.00 60.65 59.55 3ksh h LYS 14 Cb 0.09 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.60 3ksh h LYS 14 CO -0.04 0.92 0.06 1.96 -2.06 0.00 0.00 179.45 180.29 3ksh h GLN 15 N 0.94 0.81 -0.53 3.15 4.20 -0.86 -2.84 115.11 119.97 3ksh h GLN 15 Ca 0.20 -0.23 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3ksh h GLN 15 Cb 0.35 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 3ksh h GLN 15 CO 0.00 0.82 0.29 0.00 -0.67 0.00 0.00 178.83 179.27 3ksh h ALA 16 N 0.95 0.69 -0.50 3.87 0.00 -0.67 -0.19 119.26 123.40 3ksh h ALA 16 Ca 0.14 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.21 3ksh h ALA 16 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ksh h ALA 16 CO 0.01 -0.04 0.53 0.00 0.00 0.00 0.00 179.25 179.76 3ksh h ALA 17 N 1.27 2.23 0.13 0.00 0.00 -1.09 -2.34 119.26 119.47 3ksh h ALA 17 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ksh h ALA 17 Cb 0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ksh h ALA 17 CO -0.14 -0.79 -0.06 0.77 0.00 0.00 0.00 179.25 179.02 3ksh h SER 18 N 0.00 -0.15 0.00 0.00 0.02 -0.99 0.13 113.55 112.56 3ksh h SER 18 Ca 0.24 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3ksh h SER 18 Cb 1.30 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3ksh h SER 18 CO -0.00 0.41 0.00 0.18 -1.14 0.00 0.00 176.83 176.28 3ksh n LEU 19 N -4.88 0.01 0.00 5.07 4.77 -0.91 -2.49 117.00 118.57 3ksh n LEU 19 Ca -0.05 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3ksh n LEU 19 Cb 0.18 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3ksh n LEU 19 CO 0.15 0.00 -0.38 -0.38 -1.33 0.00 0.00 177.39 175.45 3ksh n ILE 20 N -0.48 0.00 -1.72 -0.08 5.41 -1.04 -4.73 119.36 116.71 3ksh n ILE 20 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 3ksh n ILE 20 Cb 0.00 -0.70 -0.01 0.00 -0.71 0.00 0.00 39.64 38.22 3ksh n ILE 20 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ksh n GLU 21 N -2.49 2.31 -0.99 0.38 2.13 0.45 -2.09 120.64 120.34 3ksh n GLU 21 Ca 0.00 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.63 3ksh n GLU 21 Cb 0.38 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.64 3ksh n GLU 21 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ksh n ASP 22 N 0.92 -4.80 -4.61 4.31 10.43 -1.26 -4.97 116.55 116.58 3ksh n ASP 22 Ca 0.05 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.06 3ksh n ASP 22 Cb 0.36 -2.45 -0.11 0.00 1.84 0.00 0.00 41.12 40.77 3ksh n ASP 22 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3ksh s GLU 23 N -1.30 3.12 0.00 -1.24 0.41 -0.89 -4.99 118.70 113.82 3ksh s GLU 23 Ca 0.00 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 3ksh s GLU 23 Cb 0.00 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 3ksh s GLU 23 CO 0.00 0.57 0.33 0.72 -0.49 0.00 0.00 175.26 176.39 3ksh n HIS 24 N 2.55 0.00 -3.09 1.61 8.25 -1.26 -4.92 115.22 118.36 3ksh n HIS 24 Ca -0.18 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.84 3ksh n HIS 24 Cb 0.53 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.58 3ksh n HIS 24 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3ksh s HIS 25 N -0.07 2.99 0.21 4.41 3.76 -1.26 -4.94 115.29 120.39 3ksh s HIS 25 Ca 0.00 -0.45 -0.10 0.00 -0.15 0.00 0.00 55.06 54.37 3ksh s HIS 25 Cb 0.00 -3.66 0.27 0.00 1.11 0.00 0.00 32.58 30.30 3ksh s HIS 25 CO 0.00 -1.11 1.75 1.98 -0.85 0.00 0.00 174.74 176.51 3ksh h MET 26 N 9.07 0.42 -0.84 1.40 4.05 -1.99 -1.78 114.93 125.25 3ksh h MET 26 Ca -0.27 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.14 3ksh h MET 26 Cb 1.09 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.75 3ksh h MET 26 CO 0.99 0.28 0.55 0.82 0.23 0.00 0.00 176.91 179.78 3ksh h ILE 27 N 0.43 1.19 -0.61 1.77 1.08 -1.99 0.57 117.51 119.95 3ksh h ILE 27 Ca 0.30 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 3ksh h ILE 27 Cb 0.36 -0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.06 3ksh h ILE 27 CO -0.29 0.20 0.22 0.00 -0.69 0.00 0.00 178.15 177.59 3ksh h ALA 28 N 1.32 0.79 -0.32 1.87 0.00 -1.85 0.52 119.26 121.60 3ksh h ALA 28 Ca 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ksh h ALA 28 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3ksh h ALA 28 CO -0.08 0.43 0.18 0.82 0.00 0.00 0.00 179.25 180.60 3ksh h ILE 29 N 0.86 1.13 -0.34 0.00 2.04 -0.60 -0.98 117.51 119.62 3ksh h ILE 29 Ca 0.20 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 3ksh h ILE 29 Cb 0.24 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3ksh h ILE 29 CO -0.01 0.13 -0.27 -0.07 0.00 0.00 0.00 178.15 177.93 3ksh h LEU 30 N 0.40 0.70 0.06 1.44 3.38 -0.69 -0.19 115.31 120.41 3ksh h LEU 30 Ca 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ksh h LEU 30 Cb 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ksh h LEU 30 CO -0.02 0.94 -0.03 0.28 0.09 0.00 0.00 178.44 179.70 3ksh h SER 31 N 0.59 -0.07 -0.25 -0.43 0.02 -0.67 -0.87 113.55 111.87 3ksh h SER 31 Ca 0.08 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 3ksh h SER 31 Cb 0.76 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3ksh h SER 31 CO 0.06 0.14 -0.07 0.78 -1.14 0.00 0.00 176.83 176.60 3ksh h ASN 32 N -0.27 0.60 -0.33 3.07 2.35 -1.11 -2.66 115.58 117.23 3ksh h ASN 32 Ca -0.01 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.51 3ksh h ASN 32 Cb 0.24 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3ksh h ASN 32 CO 0.01 0.71 -0.09 0.24 -1.65 0.00 0.00 177.43 176.65 3ksh h MET 33 N 0.58 0.75 -0.67 0.81 2.86 -0.86 -0.32 114.93 118.08 3ksh h MET 33 Ca 0.11 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3ksh h MET 33 Cb 0.47 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3ksh h MET 33 CO 0.02 0.82 0.25 0.66 1.06 0.00 0.00 176.91 179.73 3ksh h SER 34 N 0.69 0.91 -0.24 1.22 4.64 -0.83 -1.23 113.55 118.71 3ksh h SER 34 Ca 0.12 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3ksh h SER 34 Cb 0.56 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3ksh h SER 34 CO 0.03 0.83 -0.08 0.00 -0.87 0.00 0.00 176.83 176.75 3ksh h ALA 35 N 1.30 0.33 -0.18 5.18 0.00 -1.12 -1.54 119.26 123.22 3ksh h ALA 35 Ca 0.22 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ksh h ALA 35 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ksh h ALA 35 CO -0.02 0.14 0.05 1.25 0.00 0.00 0.00 179.25 180.68 3ksh h LEU 36 N 0.20 0.04 -0.63 0.00 5.85 -0.78 -0.58 115.31 119.42 3ksh h LEU 36 Ca 0.06 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3ksh h LEU 36 Cb 0.55 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3ksh h LEU 36 CO 0.03 0.05 0.25 -0.07 -0.34 0.00 0.00 178.44 178.36 3ksh h LEU 37 N 0.13 0.88 -1.29 2.25 3.38 -1.22 -2.54 115.31 116.89 3ksh h LEU 37 Ca 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3ksh h LEU 37 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3ksh h LEU 37 CO -0.09 0.81 0.30 -1.13 0.09 0.00 0.00 178.44 178.42 3ksh h ASN 38 N 0.89 0.70 0.92 -0.43 -1.24 -0.93 -1.13 115.58 114.35 3ksh h ASN 38 Ca 0.21 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3ksh h ASN 38 Cb 0.21 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.09 3ksh h ASN 38 CO -0.02 0.57 0.00 0.47 -1.29 0.00 0.00 177.43 177.17 3ksh n ASP 39 N -4.39 0.09 0.00 1.15 8.00 -0.26 -3.86 116.55 117.29 3ksh n ASP 39 Ca 0.05 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.06 3ksh n ASP 39 Cb 0.11 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 3ksh n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ksh n ASN 40 N -1.59 0.84 -4.35 -2.24 3.02 -0.72 -5.00 115.26 105.22 3ksh n ASN 40 Ca 0.06 -1.04 -0.34 0.00 -0.03 0.00 0.00 54.58 53.23 3ksh n ASN 40 Cb 0.31 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.34 3ksh n ASN 40 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ksh s LEU 41 N -0.04 2.80 0.40 3.41 1.43 -0.51 -4.71 118.68 121.46 3ksh s LEU 41 Ca 0.00 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3ksh s LEU 41 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3ksh s LEU 41 CO 0.00 0.09 0.66 -0.62 0.23 0.00 0.00 176.35 176.71 3ksh s ASP 42 N 0.81 6.31 -1.33 2.29 2.15 -1.26 -4.50 116.67 121.14 3ksh s ASP 42 Ca -0.03 0.72 -0.03 0.00 0.43 0.00 0.00 52.55 53.63 3ksh s ASP 42 Cb -0.15 -2.15 0.02 0.00 -0.30 0.00 0.00 42.92 40.34 3ksh s ASP 42 CO 0.01 -0.41 0.86 0.00 -0.17 0.00 0.00 175.17 175.47 3ksh n GLN 43 N -1.86 -5.71 -4.21 4.34 1.13 -1.26 -4.86 117.38 104.96 3ksh n GLN 43 Ca -0.02 0.69 -0.15 0.00 -1.94 0.00 0.00 57.00 55.58 3ksh n GLN 43 Cb 0.55 -5.46 -0.11 0.00 0.11 0.00 0.00 30.24 25.34 3ksh n GLN 43 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3ksh s ILE 44 N -3.50 1.05 0.00 5.09 -4.36 -1.26 -4.37 121.20 113.85 3ksh s ILE 44 Ca 0.17 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 3ksh s ILE 44 Cb -0.08 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.10 3ksh s ILE 44 CO 0.79 -0.60 0.25 -0.46 0.24 0.00 0.00 174.94 175.16 3ksh n ASN 45 N 0.34 0.49 -3.64 4.36 0.23 -0.09 -4.80 115.26 112.15 3ksh n ASN 45 Ca -0.14 -0.77 -0.09 0.00 -0.53 0.00 0.00 54.58 53.05 3ksh n ASN 45 Cb 0.58 0.32 -0.07 0.00 -2.08 0.00 0.00 39.78 38.53 3ksh n ASN 45 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 3ksh s TRP 46 N -0.32 -0.84 -0.15 -2.53 -0.00 -1.18 -4.46 118.94 109.46 3ksh s TRP 46 Ca 0.00 1.83 -0.07 0.00 -0.00 0.00 0.00 56.10 57.86 3ksh s TRP 46 Cb 0.00 0.45 0.06 0.00 -0.00 0.00 0.00 33.47 33.98 3ksh s TRP 46 CO 0.00 -0.41 0.33 0.54 -0.00 0.00 0.00 176.95 177.41 3ksh s VAL 47 N 1.02 -0.27 0.00 5.86 0.11 -0.77 -0.46 120.40 125.89 3ksh s VAL 47 Ca -0.05 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 3ksh s VAL 47 Cb -0.05 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 3ksh s VAL 47 CO -0.11 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 3ksh n GLY 48 N 4.79 0.94 3.24 6.54 0.00 -0.43 -0.17 105.19 120.09 3ksh n GLY 48 Ca -0.16 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 3ksh n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksh s PHE 49 N -2.59 1.49 -0.01 1.61 0.08 -0.32 -0.66 117.98 117.58 3ksh s PHE 49 Ca 0.00 -0.49 0.06 0.00 0.12 0.00 0.00 56.93 56.62 3ksh s PHE 49 Cb 0.00 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 3ksh s PHE 49 CO 0.00 0.16 -0.19 0.71 -0.10 0.00 0.00 175.22 175.79 3ksh s TYR 50 N -1.72 1.74 -0.06 0.36 1.51 -0.92 -0.07 117.35 118.19 3ksh s TYR 50 Ca 0.07 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 3ksh s TYR 50 Cb -0.07 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3ksh s TYR 50 CO 0.04 -0.01 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.81 3ksh s LEU 51 N -0.57 2.72 -0.35 -1.29 1.43 0.81 -1.02 118.68 120.41 3ksh s LEU 51 Ca 0.07 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 3ksh s LEU 51 Cb -0.08 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3ksh s LEU 51 CO -0.00 0.33 1.17 -0.76 0.23 0.00 0.00 176.35 177.32 3ksh s LEU 52 N -0.61 3.85 -0.03 1.79 1.43 -0.23 -0.10 118.68 124.77 3ksh s LEU 52 Ca 0.09 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 3ksh s LEU 52 Cb -0.11 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.59 3ksh s LEU 52 CO 0.01 -1.03 0.02 -1.61 0.23 0.00 0.00 176.35 173.97 3ksh s GLU 53 N 4.02 0.14 -1.41 1.70 2.02 -0.16 -4.86 118.70 120.14 3ksh s GLU 53 Ca 0.50 0.19 -0.08 0.00 0.02 0.00 0.00 54.97 55.60 3ksh s GLU 53 Cb -0.13 -0.47 0.04 0.00 0.10 0.00 0.00 34.13 33.67 3ksh s GLU 53 CO 0.22 -0.21 0.96 1.04 0.02 0.00 0.00 175.26 177.28 3ksh n GLN 54 N 4.56 -6.01 -2.60 1.61 3.00 -1.26 -2.76 117.38 113.92 3ksh n GLN 54 Ca -0.19 0.68 -0.18 0.00 -0.01 0.00 0.00 57.00 57.30 3ksh n GLN 54 Cb 0.50 -5.53 0.01 0.00 0.00 0.00 0.00 30.24 25.22 3ksh n GLN 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3ksh n ASN 55 N -2.96 -5.17 -3.56 1.08 3.02 -1.26 -5.00 115.26 101.42 3ksh n ASN 55 Ca -0.08 -0.13 -0.11 0.00 -0.03 0.00 0.00 54.58 54.24 3ksh n ASN 55 Cb 0.58 -4.14 -0.03 0.00 -0.61 0.00 0.00 39.78 35.59 3ksh n ASN 55 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3ksh s GLU 56 N -5.17 1.28 -0.02 3.52 -1.05 -1.11 -4.51 118.70 111.64 3ksh s GLU 56 Ca 0.12 -0.63 -0.21 0.00 -0.15 0.00 0.00 54.97 54.11 3ksh s GLU 56 Cb -0.05 0.55 -0.05 0.00 -0.44 0.00 0.00 34.13 34.14 3ksh s GLU 56 CO 0.15 -0.55 0.61 -0.51 0.95 0.00 0.00 175.26 175.91 3ksh s LEU 57 N -2.80 4.39 -0.10 1.83 1.43 0.06 -0.98 118.68 122.52 3ksh s LEU 57 Ca 0.04 1.15 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 3ksh s LEU 57 Cb -0.01 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3ksh s LEU 57 CO -0.10 0.06 -0.23 -0.63 0.23 0.00 0.00 176.35 175.69 3ksh s ILE 58 N 0.01 1.96 0.20 -0.59 -1.09 0.85 -1.55 121.20 120.99 3ksh s ILE 58 Ca 0.32 -0.96 -0.32 0.00 -2.23 0.00 0.00 60.65 57.45 3ksh s ILE 58 Cb -0.18 -1.70 -0.14 0.00 -1.58 0.00 0.00 42.46 38.86 3ksh s ILE 58 CO 0.17 0.54 1.40 -0.11 -1.23 0.00 0.00 174.94 175.71 3ksh n LEU 59 N 3.57 2.75 0.00 2.97 7.94 -0.03 -0.13 117.00 134.07 3ksh n LEU 59 Ca -0.19 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 3ksh n LEU 59 Cb 0.53 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.10 3ksh n LEU 59 CO 0.28 -0.61 0.00 0.61 -1.11 0.00 0.00 177.39 176.56 3ksh n GLY 60 N 2.44 6.94 3.69 -3.96 0.00 0.90 -4.80 105.19 110.40 3ksh n GLY 60 Ca 0.14 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 3ksh n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksh n PRO 61 N -0.00 1.86 -3.64 1.61 -0.02 -1.26 -4.55 135.00 129.00 3ksh n PRO 61 Ca 0.00 0.66 -0.07 0.00 -2.02 0.00 0.00 63.50 62.07 3ksh n PRO 61 Cb 0.00 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.11 3ksh n PRO 61 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ksh s PHE 62 N -1.21 -0.29 -0.18 6.00 -0.12 -1.26 -1.18 117.98 119.75 3ksh s PHE 62 Ca 0.61 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.51 3ksh s PHE 62 Cb -0.51 0.61 0.01 0.00 -0.63 0.00 0.00 43.02 42.50 3ksh s PHE 62 CO 0.58 -0.87 -0.17 -0.65 -0.05 0.00 0.00 175.22 174.06 3ksh s GLN 63 N -3.51 3.10 0.00 1.99 -1.52 0.75 -4.97 119.66 115.51 3ksh s GLN 63 Ca 0.08 -0.79 0.00 0.00 -1.95 0.00 0.00 55.36 52.70 3ksh s GLN 63 Cb -0.02 -2.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.13 3ksh s GLN 63 CO -0.03 -0.14 0.00 0.41 -0.25 0.00 0.00 175.29 175.28 3ksh n GLY 64 N 4.48 0.45 3.90 3.09 0.00 -1.26 -1.85 105.19 114.00 3ksh n GLY 64 Ca -0.20 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 3ksh n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ksh s HIS 65 N -3.00 3.46 0.50 1.61 3.76 -1.26 -5.02 115.29 115.34 3ksh s HIS 65 Ca 0.00 0.87 -0.21 0.00 -0.15 0.00 0.00 55.06 55.57 3ksh s HIS 65 Cb 0.00 -2.59 -0.09 0.00 1.11 0.00 0.00 32.58 31.01 3ksh s HIS 65 CO 0.00 -0.61 0.83 -2.30 -0.85 0.00 0.00 174.74 171.81 3ksh n PRO 66 N -2.52 0.95 -4.36 8.40 -0.02 -1.26 -5.01 135.00 131.18 3ksh n PRO 66 Ca 0.03 0.35 -0.18 0.00 -2.02 0.00 0.00 63.50 61.68 3ksh n PRO 66 Cb 0.56 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 3ksh n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksh s ALA 67 N -1.46 1.95 0.31 3.55 0.00 -1.26 -5.12 121.76 119.72 3ksh s ALA 67 Ca 0.68 -1.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 3ksh s ALA 67 Cb -0.50 0.96 -0.10 0.00 0.00 0.00 0.00 23.12 23.47 3ksh s ALA 67 CO 0.54 -0.42 1.38 0.00 0.00 0.00 0.00 175.76 177.25 3ksh h VAL 69 N 3.21 1.35 -3.35 0.00 2.07 -1.97 -3.42 116.25 114.14 3ksh h VAL 69 Ca -0.48 -2.53 -0.65 0.00 0.82 0.00 0.00 66.70 63.85 3ksh h VAL 69 Cb 1.22 2.94 -0.19 0.00 -1.52 0.00 0.00 31.29 33.75 3ksh h VAL 69 CO 0.70 0.75 -0.65 -1.00 0.02 0.00 0.00 177.57 177.39 3ksh s HIS 70 N -2.73 3.08 -0.10 1.57 3.76 -1.26 -0.85 115.29 118.76 3ksh s HIS 70 Ca -0.11 -0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 54.70 3ksh s HIS 70 Cb 0.04 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.86 3ksh s HIS 70 CO 0.91 0.16 0.00 0.42 -0.85 0.00 0.00 174.74 175.38 3ksh s ILE 71 N -0.09 0.44 0.47 0.60 -1.09 -0.59 -5.00 121.20 115.94 3ksh s ILE 71 Ca 0.03 -0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.18 3ksh s ILE 71 Cb -0.13 -0.67 -0.07 0.00 -1.58 0.00 0.00 42.46 40.01 3ksh s ILE 71 CO 0.02 0.16 1.19 -2.84 -1.23 0.00 0.00 174.94 172.25 3ksh s PRO 72 N 1.94 3.67 0.26 2.79 0.02 -1.26 -0.76 135.00 141.66 3ksh s PRO 72 Ca 0.04 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.59 3ksh s PRO 72 Cb -0.13 -2.38 -0.11 0.00 0.02 0.00 0.00 34.50 31.89 3ksh s PRO 72 CO -0.06 -0.64 1.55 0.42 -0.33 0.00 0.00 177.00 177.94 3ksh s ILE 73 N -1.51 2.30 0.00 2.83 1.01 -1.26 -1.94 121.20 122.62 3ksh s ILE 73 Ca 0.65 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3ksh s ILE 73 Cb -0.30 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3ksh s ILE 73 CO 0.36 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3ksh n GLY 74 N 2.40 1.06 3.24 6.18 0.00 -0.19 -4.96 105.19 112.92 3ksh n GLY 74 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3ksh n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksh s LYS 75 N -0.37 1.34 0.12 1.61 1.02 -0.82 -4.56 119.74 118.09 3ksh s LYS 75 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.07 3ksh s LYS 75 Cb 0.00 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.86 3ksh s LYS 75 CO 0.00 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 3ksh n GLY 76 N 1.87 -2.05 0.21 -3.33 0.00 -0.39 -1.81 105.19 99.69 3ksh n GLY 76 Ca -0.17 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 3ksh n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ksh h VAL 77 N -0.35 1.19 -0.35 1.61 2.07 -1.95 -1.02 116.25 117.46 3ksh h VAL 77 Ca -0.02 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3ksh h VAL 77 Cb 0.34 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3ksh h VAL 77 CO 0.01 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 177.76 3ksh h GLY 79 N 0.44 0.34 1.83 0.00 0.00 -1.28 -2.51 103.07 101.90 3ksh h GLY 79 Ca 0.09 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3ksh h GLY 79 CO 0.03 0.22 -0.57 -0.84 0.00 0.00 0.00 176.54 175.39 3ksh h THR 80 N 0.29 1.38 -0.74 4.70 2.02 -1.06 -0.21 112.91 119.30 3ksh h THR 80 Ca 0.05 -1.91 -0.04 0.00 0.77 0.00 0.00 66.41 65.29 3ksh h THR 80 Cb 0.53 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 3ksh h THR 80 CO 0.03 0.56 0.32 0.00 0.37 0.00 0.00 175.52 176.80 3ksh h ALA 81 N 1.28 1.17 -0.05 6.16 0.00 -0.97 -0.28 119.26 126.57 3ksh h ALA 81 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ksh h ALA 81 Cb 1.04 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ksh h ALA 81 CO 0.08 0.61 -0.04 0.28 0.00 0.00 0.00 179.25 180.18 3ksh h VAL 82 N 1.06 1.36 -0.21 0.00 2.07 -1.29 -0.97 116.25 118.28 3ksh h VAL 82 Ca 0.25 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 3ksh h VAL 82 Cb 0.16 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3ksh h VAL 82 CO -0.03 0.31 -0.12 0.77 0.02 0.00 0.00 177.57 178.52 3ksh h SER 83 N -0.32 0.32 0.76 0.57 4.64 -1.14 -1.82 113.55 116.56 3ksh h SER 83 Ca 0.01 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3ksh h SER 83 Cb 0.53 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3ksh h SER 83 CO 0.01 0.48 -0.33 -0.62 -0.87 0.00 0.00 176.83 175.49 3ksh n GLU 84 N -4.25 0.06 -3.26 4.77 1.02 -0.13 -4.94 120.64 113.92 3ksh n GLU 84 Ca -0.00 0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 3ksh n GLU 84 Cb 0.29 -1.54 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3ksh n GLU 84 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ksh n ARG 85 N -1.63 -4.74 -3.55 3.49 1.74 -0.40 -4.96 116.66 106.61 3ksh n ARG 85 Ca 0.06 0.74 -0.14 0.00 -0.77 0.00 0.00 57.85 57.73 3ksh n ARG 85 Cb 0.36 -5.57 -0.05 0.00 -1.02 0.00 0.00 32.46 26.18 3ksh n ARG 85 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3ksh s ARG 86 N -5.94 1.07 0.33 5.56 1.70 -1.01 -5.01 118.95 115.64 3ksh s ARG 86 Ca 0.39 -0.21 -0.29 0.00 -0.47 0.00 0.00 55.73 55.15 3ksh s ARG 86 Cb -0.19 0.49 -0.12 0.00 -0.57 0.00 0.00 34.95 34.56 3ksh s ARG 86 CO 0.48 -0.39 1.34 2.41 -1.08 0.00 0.00 175.30 178.06 3ksh n THR 87 N 0.37 1.78 -3.98 4.99 -1.04 -1.26 -4.63 114.28 110.50 3ksh n THR 87 Ca -0.18 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.05 61.04 3ksh n THR 87 Cb 0.60 -1.61 -0.14 0.00 -1.82 0.00 0.00 70.33 67.36 3ksh n THR 87 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ksh s GLN 88 N -1.59 3.31 -0.35 -2.82 -1.52 -0.18 -4.98 119.66 111.54 3ksh s GLN 88 Ca 0.58 -0.66 -0.03 0.00 -1.95 0.00 0.00 55.36 53.29 3ksh s GLN 88 Cb -0.57 -2.92 0.07 0.00 -0.22 0.00 0.00 33.01 29.37 3ksh s GLN 88 CO 0.60 -0.18 0.10 0.08 -0.25 0.00 0.00 175.29 175.63 3ksh s VAL 89 N 1.40 3.25 -0.31 1.09 1.01 -1.26 -1.29 120.40 124.29 3ksh s VAL 89 Ca 0.05 -1.59 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 3ksh s VAL 89 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3ksh s VAL 89 CO -0.05 -0.34 0.13 -0.69 0.00 0.00 0.00 175.10 174.15 3ksh s VAL 90 N 1.24 4.35 0.18 2.92 1.01 0.59 -4.97 120.40 125.72 3ksh s VAL 90 Ca 0.01 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3ksh s VAL 90 Cb -0.21 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 32.81 3ksh s VAL 90 CO -0.02 0.06 1.41 0.00 0.00 0.00 0.00 175.10 176.56 3ksh h ALA 91 N 8.31 0.58 -2.36 5.51 0.00 -1.89 -1.10 119.26 128.31 3ksh h ALA 91 Ca -0.32 -0.69 -0.43 0.00 0.00 0.00 0.00 54.91 53.47 3ksh h ALA 91 Cb 1.14 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 18.49 3ksh h ALA 91 CO 0.61 0.88 -0.72 0.34 0.00 0.00 0.00 179.25 180.36 3ksh s ASP 92 N -6.92 2.30 0.30 0.00 3.68 -1.26 -0.23 116.67 114.54 3ksh s ASP 92 Ca -0.03 -1.30 0.03 0.00 2.13 0.00 0.00 52.55 53.38 3ksh s ASP 92 Cb 0.10 0.13 0.63 0.00 -1.45 0.00 0.00 42.92 42.34 3ksh s ASP 92 CO 0.82 -0.36 1.83 0.58 0.13 0.00 0.00 175.17 178.17 3ksh h VAL 93 N 5.86 0.86 0.00 1.11 2.07 -1.28 -0.35 116.25 124.52 3ksh h VAL 93 Ca -0.08 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3ksh h VAL 93 Cb 1.04 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3ksh h VAL 93 CO 0.32 0.17 -0.01 -0.74 0.02 0.00 0.00 177.57 177.33 3ksh h HIS 94 N 0.90 0.00 -0.36 1.57 -0.00 -1.82 -0.29 115.15 115.16 3ksh h HIS 94 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.88 3ksh h HIS 94 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 3ksh h HIS 94 CO -0.00 0.01 0.00 1.04 -0.00 0.00 0.00 177.93 178.98 3ksh n GLN 95 N -3.35 2.32 -2.72 5.26 1.13 -0.18 -4.95 117.38 114.89 3ksh n GLN 95 Ca -0.03 -2.07 -0.43 0.00 -1.94 0.00 0.00 57.00 52.54 3ksh n GLN 95 Cb 0.11 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 3ksh n GLN 95 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3ksh s PHE 96 N -1.15 3.39 -0.34 1.08 2.19 -0.12 -4.97 117.98 118.07 3ksh s PHE 96 Ca 0.30 1.44 -0.28 0.00 0.33 0.00 0.00 56.93 58.73 3ksh s PHE 96 Cb 0.17 -3.20 -0.04 0.00 -1.31 0.00 0.00 43.02 38.64 3ksh s PHE 96 CO 0.23 -0.38 2.11 0.21 1.83 0.00 0.00 175.22 179.23 3ksh s LYS 97 N 2.73 2.94 0.00 10.12 2.47 -1.26 -1.82 119.74 134.92 3ksh s LYS 97 Ca 0.43 1.62 0.00 0.00 -1.56 0.00 0.00 55.97 56.47 3ksh s LYS 97 Cb -0.16 -4.37 0.00 0.00 -1.46 0.00 0.00 37.83 31.84 3ksh s LYS 97 CO 0.10 -2.33 0.00 0.41 0.16 0.00 0.00 175.35 173.69 3ksh n GLY 98 N 5.72 0.94 3.75 5.54 0.00 -1.26 -4.98 105.19 114.90 3ksh n GLY 98 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 3ksh n GLY 98 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ksh s HIS 99 N -2.00 2.37 0.42 1.61 -3.43 -0.75 -1.26 115.29 112.25 3ksh s HIS 99 Ca 0.00 1.49 0.04 0.00 -0.80 0.00 0.00 55.06 55.79 3ksh s HIS 99 Cb 0.00 -3.55 -0.04 0.00 -1.43 0.00 0.00 32.58 27.56 3ksh s HIS 99 CO 0.00 -2.35 0.05 0.96 -2.00 0.00 0.00 174.74 171.40 3ksh s ILE 100 N -1.52 1.22 0.41 -5.38 -4.36 -1.26 -4.79 121.20 105.52 3ksh s ILE 100 Ca 0.76 -2.00 0.14 0.00 -0.26 0.00 0.00 60.65 59.29 3ksh s ILE 100 Cb -0.33 -2.53 0.34 0.00 1.25 0.00 0.00 42.46 41.19 3ksh s ILE 100 CO 0.36 0.00 1.92 0.00 0.24 0.00 0.00 174.94 177.46 3ksh h ALA 101 N 1.72 2.03 0.00 2.27 0.00 -2.02 0.09 119.26 123.34 3ksh h ALA 101 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ksh h ALA 101 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ksh h ALA 101 CO 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3ksh n ASP 103 N -2.59 2.13 -0.30 0.00 8.00 0.02 -4.64 116.55 119.16 3ksh n ASP 103 Ca -0.01 -1.72 0.14 0.00 0.71 0.00 0.00 54.79 53.92 3ksh n ASP 103 Cb 0.14 -0.04 0.31 0.00 -0.02 0.00 0.00 41.12 41.52 3ksh n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ksh h ALA 104 N 4.43 1.34 -0.01 2.24 0.00 -1.34 -1.11 119.26 124.81 3ksh h ALA 104 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ksh h ALA 104 Cb 0.69 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ksh h ALA 104 CO 0.00 -0.51 -0.01 -1.71 0.00 0.00 0.00 179.25 177.02 3ksh n ASN 105 N -5.25 0.53 -4.64 0.00 5.15 -1.26 -4.77 115.26 105.02 3ksh n ASN 105 Ca 0.23 -1.11 -0.38 0.00 -0.60 0.00 0.00 54.58 52.73 3ksh n ASN 105 Cb 0.73 -0.01 -0.09 0.00 -0.53 0.00 0.00 39.78 39.88 3ksh n ASN 105 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ksh s SER 106 N -2.06 6.17 -0.11 1.20 0.15 -0.42 -4.74 113.70 113.89 3ksh s SER 106 Ca 0.43 0.18 -0.06 0.00 0.70 0.00 0.00 55.95 57.19 3ksh s SER 106 Cb 0.21 -2.15 -0.26 0.00 -1.71 0.00 0.00 66.02 62.11 3ksh s SER 106 CO 0.37 -0.03 0.40 0.29 1.20 0.00 0.00 173.24 175.47 3ksh n LYS 107 N 4.68 0.76 -4.03 5.44 4.76 -0.11 -4.55 118.16 125.11 3ksh n LYS 107 Ca -0.13 0.27 -0.08 0.00 -2.87 0.00 0.00 58.31 55.51 3ksh n LYS 107 Cb 0.52 -1.72 -0.10 0.00 -1.84 0.00 0.00 35.03 31.89 3ksh n LYS 107 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ksh s SER 108 N -7.01 0.39 0.07 4.39 1.04 -1.17 -0.94 113.70 110.47 3ksh s SER 108 Ca -0.21 -0.86 -0.26 0.00 0.48 0.00 0.00 55.95 55.10 3ksh s SER 108 Cb 0.07 0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.48 3ksh s SER 108 CO 0.78 -0.58 0.71 -0.70 0.98 0.00 0.00 173.24 174.42 3ksh s GLU 109 N -3.55 1.09 -0.03 4.02 2.12 -0.42 -1.19 118.70 120.75 3ksh s GLU 109 Ca 0.03 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.08 3ksh s GLU 109 Cb 0.05 0.51 0.02 0.00 0.26 0.00 0.00 34.13 34.96 3ksh s GLU 109 CO -0.09 -0.46 -0.03 -1.50 -0.54 0.00 0.00 175.26 172.65 3ksh s ILE 110 N -3.08 0.35 -0.09 -3.70 2.07 -0.64 -0.30 121.20 115.81 3ksh s ILE 110 Ca 0.00 -0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.18 3ksh s ILE 110 Cb -0.01 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.22 3ksh s ILE 110 CO -0.08 0.16 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.33 3ksh s VAL 111 N 0.65 1.01 -0.20 4.00 1.01 -0.42 -1.37 120.40 125.09 3ksh s VAL 111 Ca -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3ksh s VAL 111 Cb -0.11 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 3ksh s VAL 111 CO -0.01 0.35 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 3ksh s VAL 112 N 1.32 2.95 0.40 2.92 1.01 0.05 -1.01 120.40 128.04 3ksh s VAL 112 Ca -0.02 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 3ksh s VAL 112 Cb -0.14 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.86 3ksh s VAL 112 CO -0.04 0.47 1.18 -2.16 0.00 0.00 0.00 175.10 174.56 3ksh s PRO 113 N 1.26 4.03 -0.18 2.72 0.04 -1.26 -0.88 135.00 140.73 3ksh s PRO 113 Ca 0.03 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 3ksh s PRO 113 Cb -0.14 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 3ksh s PRO 113 CO -0.05 -0.35 -0.04 0.42 0.04 0.00 0.00 177.00 177.03 3ksh s ILE 114 N -1.40 3.75 0.15 0.56 1.01 0.39 -4.90 121.20 120.77 3ksh s ILE 114 Ca 0.57 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.89 3ksh s ILE 114 Cb -0.31 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3ksh s ILE 114 CO 0.40 0.47 0.07 -0.36 0.00 0.00 0.00 174.94 175.51 3ksh s PHE 115 N 0.71 3.03 -0.26 3.97 0.40 -1.26 -0.64 117.98 123.93 3ksh s PHE 115 Ca -0.02 -0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 3ksh s PHE 115 Cb -0.14 -1.48 0.15 0.00 0.51 0.00 0.00 43.02 42.06 3ksh s PHE 115 CO 0.02 0.52 0.41 0.21 0.70 0.00 0.00 175.22 177.08 3ksh s LYS 116 N -2.92 0.39 -1.20 0.44 2.47 0.50 -4.82 119.74 114.60 3ksh s LYS 116 Ca 0.29 0.45 -0.01 0.00 -1.56 0.00 0.00 55.97 55.14 3ksh s LYS 116 Cb -0.10 -0.33 0.00 0.00 -1.46 0.00 0.00 37.83 35.94 3ksh s LYS 116 CO 0.21 -0.77 1.00 -3.47 0.16 0.00 0.00 175.35 172.48 3ksh n ASP 117 N 5.37 -2.46 0.00 1.43 -0.08 -1.26 -2.02 116.55 117.53 3ksh n ASP 117 Ca -0.02 -0.60 0.00 0.00 -1.51 0.00 0.00 54.79 52.66 3ksh n ASP 117 Cb 0.50 -5.05 0.00 0.00 2.34 0.00 0.00 41.12 38.91 3ksh n ASP 117 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3ksh n ASP 118 N -3.08 -4.06 -4.47 1.67 8.00 -1.26 -4.97 116.55 108.38 3ksh n ASP 118 Ca -0.26 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.91 3ksh n ASP 118 Cb 0.66 -2.51 -0.13 0.00 -0.02 0.00 0.00 41.12 39.12 3ksh n ASP 118 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ksh s LYS 119 N -1.31 2.83 -0.20 -1.24 2.20 -0.86 -5.08 119.74 116.08 3ksh s LYS 119 Ca 0.00 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 3ksh s LYS 119 Cb 0.00 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 3ksh s LYS 119 CO 0.00 0.51 1.07 0.42 -0.36 0.00 0.00 175.35 176.99 3ksh s ILE 120 N -0.42 4.63 -1.63 5.43 1.01 -1.26 -0.37 121.20 128.59 3ksh s ILE 120 Ca 0.05 1.95 0.17 0.00 0.00 0.00 0.00 60.65 62.83 3ksh s ILE 120 Cb -0.12 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.10 3ksh s ILE 120 CO 0.02 -0.14 0.91 2.30 0.00 0.00 0.00 174.94 178.03 3ksh n ILE 121 N 5.19 0.00 -3.67 2.92 -5.35 0.19 -4.80 119.36 113.83 3ksh n ILE 121 Ca 0.12 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 3ksh n ILE 121 Cb 0.46 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 3ksh n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksh n GLY 122 N 1.16 -1.20 3.16 3.28 0.00 -1.22 -1.07 105.19 109.31 3ksh n GLY 122 Ca 0.07 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 3ksh n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksh s VAL 123 N -3.00 0.12 -0.22 1.61 -7.23 -0.19 -0.46 120.40 111.03 3ksh s VAL 123 Ca 0.00 -1.01 -0.09 0.00 -1.81 0.00 0.00 61.98 59.07 3ksh s VAL 123 Cb 0.00 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 3ksh s VAL 123 CO 0.00 -0.56 0.11 -0.22 -0.31 0.00 0.00 175.10 174.12 3ksh s LEU 124 N -2.22 3.92 -0.10 1.32 2.96 -0.06 -2.17 118.68 122.33 3ksh s LEU 124 Ca -0.03 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3ksh s LEU 124 Cb -0.00 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.67 3ksh s LEU 124 CO -0.05 0.10 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.29 3ksh s ASP 125 N 0.81 2.53 -0.10 3.68 2.15 0.16 -0.77 116.67 125.13 3ksh s ASP 125 Ca 0.06 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.59 3ksh s ASP 125 Cb -0.13 -1.15 0.02 0.00 -0.30 0.00 0.00 42.92 41.36 3ksh s ASP 125 CO 0.02 0.06 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.36 3ksh s ILE 126 N 0.75 1.07 0.13 4.11 1.01 -0.47 -1.32 121.20 126.49 3ksh s ILE 126 Ca -0.11 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.26 3ksh s ILE 126 Cb -0.16 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 3ksh s ILE 126 CO 0.02 0.37 -0.00 -1.81 0.00 0.00 0.00 174.94 173.52 3ksh s ASP 127 N 1.47 4.89 0.08 3.58 1.01 0.39 -1.62 116.67 126.47 3ksh s ASP 127 Ca 0.01 -0.28 0.06 0.00 0.71 0.00 0.00 52.55 53.05 3ksh s ASP 127 Cb -0.13 -1.10 -0.03 0.00 1.01 0.00 0.00 42.92 42.66 3ksh s ASP 127 CO -0.06 0.13 -0.17 0.00 0.21 0.00 0.00 175.17 175.29 3ksh s ALA 128 N -1.49 1.41 -1.75 5.23 0.00 -0.33 -0.91 121.76 123.92 3ksh s ALA 128 Ca 0.26 -1.07 0.31 0.00 0.00 0.00 0.00 51.96 51.46 3ksh s ALA 128 Cb -0.11 -0.16 1.65 0.00 0.00 0.00 0.00 23.12 24.50 3ksh s ALA 128 CO 0.18 0.24 2.10 -0.35 0.00 0.00 0.00 175.76 177.94 3ksh n PRO 129 N 1.29 0.76 -4.32 0.00 -0.04 -1.26 -0.94 135.00 130.49 3ksh n PRO 129 Ca -0.20 -0.06 -0.17 0.00 -0.04 0.00 0.00 63.50 63.02 3ksh n PRO 129 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 3ksh n PRO 129 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3ksh s ILE 130 N -2.28 1.48 0.68 0.52 -4.36 -1.26 -4.76 121.20 111.20 3ksh s ILE 130 Ca 0.38 -2.14 -0.11 0.00 -0.26 0.00 0.00 60.65 58.52 3ksh s ILE 130 Cb 0.21 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.86 3ksh s ILE 130 CO 0.42 -0.57 1.06 0.42 0.24 0.00 0.00 174.94 176.50 3ksh s THR 131 N -3.14 3.67 -1.60 8.37 -4.23 -1.26 -3.02 115.64 114.44 3ksh s THR 131 Ca 0.22 0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 3ksh s THR 131 Cb 0.02 -3.53 0.10 0.00 1.34 0.00 0.00 72.50 70.43 3ksh s THR 131 CO 0.06 -0.67 0.72 0.47 -0.54 0.00 0.00 174.62 174.66 3ksh n ASP 132 N -2.91 -2.76 0.06 3.99 9.92 0.68 -4.89 116.55 120.65 3ksh n ASP 132 Ca 0.06 -0.97 -0.12 0.00 -0.53 0.00 0.00 54.79 53.23 3ksh n ASP 132 Cb 0.57 -3.03 -0.02 0.00 -0.64 0.00 0.00 41.12 38.00 3ksh n ASP 132 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3ksh h ARG 133 N -1.69 0.40 -6.03 -1.24 9.65 -1.83 -3.45 114.38 110.18 3ksh h ARG 133 Ca -0.60 -0.39 -0.68 0.00 -1.10 0.00 0.00 59.98 57.21 3ksh h ARG 133 Cb 1.38 0.10 -0.15 0.00 -1.39 0.00 0.00 29.97 29.91 3ksh h ARG 133 CO 0.72 1.05 -0.63 -0.06 2.80 0.00 0.00 179.97 183.85 3ksh s PHE 134 N -3.38 3.12 0.36 2.20 0.08 -1.26 -5.07 117.98 114.03 3ksh s PHE 134 Ca -0.06 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.17 3ksh s PHE 134 Cb 0.09 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 3ksh s PHE 134 CO 0.86 0.46 0.07 -0.40 -0.10 0.00 0.00 175.22 176.10 3ksh n ASP 135 N 1.97 1.99 -0.09 1.36 5.68 -1.26 -4.90 116.55 121.29 3ksh n ASP 135 Ca -0.18 -2.73 0.10 0.00 -0.50 0.00 0.00 54.79 51.48 3ksh n ASP 135 Cb 0.53 0.59 0.46 0.00 -1.14 0.00 0.00 41.12 41.56 3ksh n ASP 135 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ksh h ASP 136 N 1.15 0.44 -0.32 -1.12 3.32 -1.99 -1.04 116.42 116.86 3ksh h ASP 136 Ca -0.29 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 3ksh h ASP 136 Cb 0.98 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3ksh h ASP 136 CO 0.46 0.28 0.02 -1.13 -1.72 0.00 0.00 179.24 177.16 3ksh h ASN 137 N 0.50 0.53 -0.60 6.45 -0.73 -2.00 -0.89 115.58 118.84 3ksh h ASN 137 Ca 0.26 -0.29 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 3ksh h ASN 137 Cb 0.39 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 3ksh h ASN 137 CO -0.08 0.69 0.33 0.44 -0.37 0.00 0.00 177.43 178.44 3ksh h ASP 138 N 0.36 0.76 -0.28 1.15 3.32 -1.76 -2.25 116.42 117.72 3ksh h ASP 138 Ca 0.09 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3ksh h ASP 138 Cb 0.40 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3ksh h ASP 138 CO 0.01 0.64 0.03 0.50 -1.72 0.00 0.00 179.24 178.70 3ksh h LYS 139 N 0.82 0.11 -0.13 3.56 3.64 -0.96 0.92 116.57 124.54 3ksh h LYS 139 Ca 0.21 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3ksh h LYS 139 Cb 0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3ksh h LYS 139 CO -0.03 0.07 0.07 1.49 -2.27 0.00 0.00 179.45 178.78 3ksh h GLU 140 N 0.12 0.14 -0.45 1.90 4.81 -0.91 -0.43 114.58 119.76 3ksh h GLU 140 Ca 0.13 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3ksh h GLU 140 Cb 0.16 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3ksh h GLU 140 CO -0.20 0.09 -0.23 0.45 -0.73 0.00 0.00 179.01 178.39 3ksh h HIS 141 N 0.14 1.06 -0.23 0.92 3.86 -1.20 -2.06 115.15 117.64 3ksh h HIS 141 Ca 0.05 -0.26 -0.13 0.00 -1.16 0.00 0.00 60.37 58.88 3ksh h HIS 141 Cb 0.00 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 3ksh h HIS 141 CO -0.08 1.05 -0.39 -0.07 0.86 0.00 0.00 177.93 179.31 3ksh h LEU 142 N 0.80 0.56 -1.00 2.43 3.38 -0.71 -1.42 115.31 119.35 3ksh h LEU 142 Ca 0.10 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3ksh h LEU 142 Cb 0.79 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3ksh h LEU 142 CO 0.07 0.89 -0.19 -0.33 0.09 0.00 0.00 178.44 178.96 3ksh h GLU 143 N 0.44 0.49 -0.53 1.13 5.08 -0.96 -0.83 114.58 119.41 3ksh h GLU 143 Ca 0.04 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3ksh h GLU 143 Cb 0.87 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 3ksh h GLU 143 CO 0.07 0.67 -0.06 0.00 -1.00 0.00 0.00 179.01 178.69 3ksh h ALA 144 N 1.35 0.90 -0.53 3.43 0.00 -0.93 -1.27 119.26 122.21 3ksh h ALA 144 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3ksh h ALA 144 Cb 0.59 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ksh h ALA 144 CO 0.04 0.64 -0.08 0.82 0.00 0.00 0.00 179.25 180.67 3ksh h ILE 145 N 0.85 1.26 -0.38 0.00 2.04 -0.78 -2.31 117.51 118.19 3ksh h ILE 145 Ca 0.15 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 3ksh h ILE 145 Cb 0.59 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3ksh h ILE 145 CO 0.04 0.43 0.04 0.58 0.00 0.00 0.00 178.15 179.24 3ksh h VAL 146 N 0.87 1.20 -0.54 1.67 2.07 -0.80 -1.72 116.25 119.00 3ksh h VAL 146 Ca 0.14 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3ksh h VAL 146 Cb 0.62 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3ksh h VAL 146 CO 0.04 0.27 0.18 0.50 0.02 0.00 0.00 177.57 178.57 3ksh h LYS 147 N 0.57 0.80 -0.69 1.57 3.64 -0.72 0.72 116.57 122.45 3ksh h LYS 147 Ca 0.12 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3ksh h LYS 147 Cb 0.30 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3ksh h LYS 147 CO 0.01 0.68 0.14 0.82 -2.27 0.00 0.00 179.45 178.83 3ksh h ILE 148 N 0.78 1.26 -0.30 2.00 2.04 -0.84 -1.08 117.51 121.36 3ksh h ILE 148 Ca 0.18 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 3ksh h ILE 148 Cb 0.21 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3ksh h ILE 148 CO -0.01 0.38 0.02 0.40 0.00 0.00 0.00 178.15 178.94 3ksh h ILE 149 N 1.06 1.25 -0.58 -0.67 2.04 -0.76 -2.87 117.51 116.97 3ksh h ILE 149 Ca 0.21 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.24 3ksh h ILE 149 Cb 0.40 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 3ksh h ILE 149 CO 0.01 0.29 0.31 -0.33 0.00 0.00 0.00 178.15 178.43 3ksh h GLU 150 N 0.33 0.58 -0.54 2.37 5.08 -0.60 -1.69 114.58 120.11 3ksh h GLU 150 Ca 0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3ksh h GLU 150 Cb 0.40 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3ksh h GLU 150 CO 0.01 0.39 0.36 0.87 -1.00 0.00 0.00 179.01 179.63 3ksh h LYS 151 N 0.60 0.67 -0.04 2.33 1.79 -1.10 0.17 116.57 120.99 3ksh h LYS 151 Ca 0.25 -0.04 -0.22 0.00 -2.18 0.00 0.00 60.65 58.46 3ksh h LYS 151 Cb 0.14 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3ksh h LYS 151 CO -0.16 0.44 -0.89 0.37 -1.08 0.00 0.00 179.45 178.13 3ksh h GLN 152 N 0.69 0.52 0.00 3.15 5.75 -1.18 -3.24 115.11 120.80 3ksh h GLN 152 Ca 0.20 -0.51 -0.11 0.00 -0.15 0.00 0.00 58.65 58.09 3ksh h GLN 152 Cb -0.02 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 3ksh h GLN 152 CO -0.05 1.14 -0.51 -0.07 -2.65 0.00 0.00 178.83 176.70 3ksh h LEU 153 N 0.32 0.00 0.00 -2.39 3.38 -0.84 -3.48 115.31 112.29 3ksh h LEU 153 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ksh h LEU 153 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3ksh h LEU 153 CO 0.16 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.20