#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksi s ILE 4 N 0.00 2.00 0.18 12.58 1.01 -1.26 -4.89 121.20 130.82 3ksi s ILE 4 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 60.65 59.11 3ksi s ILE 4 Cb 0.00 -1.99 -0.08 0.00 0.01 0.00 0.00 42.46 40.39 3ksi s ILE 4 CO 0.00 0.22 1.27 0.20 0.00 0.00 0.00 174.94 176.63 3ksi s ASN 5 N 1.24 6.97 0.76 3.58 0.01 -1.26 -4.99 114.94 121.25 3ksi s ASN 5 Ca -0.02 2.32 -0.12 0.00 -0.71 0.00 0.00 52.86 54.32 3ksi s ASN 5 Cb -0.17 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 38.94 3ksi s ASN 5 CO -0.09 -0.48 1.12 -2.84 -1.51 0.00 0.00 177.10 173.31 3ksi s PRO 6 N -0.03 2.16 -0.07 -0.60 0.02 -1.26 -4.45 135.00 130.77 3ksi s PRO 6 Ca 0.56 1.39 0.03 0.00 0.02 0.00 0.00 61.00 63.00 3ksi s PRO 6 Cb -0.35 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.28 3ksi s PRO 6 CO 0.37 -1.75 -0.16 0.95 -0.33 0.00 0.00 177.00 176.08 3ksi s THR 7 N -2.56 2.88 -1.21 0.99 -4.23 -1.26 -4.94 115.64 105.30 3ksi s THR 7 Ca 0.66 -0.78 -0.17 0.00 -1.18 0.00 0.00 61.69 60.23 3ksi s THR 7 Cb -0.21 -2.13 0.11 0.00 1.34 0.00 0.00 72.50 71.62 3ksi s THR 7 CO 0.51 0.57 1.54 0.21 -0.54 0.00 0.00 174.62 176.91 3ksi s ASN 8 N -0.43 6.89 0.44 3.99 3.04 -1.26 -4.79 114.94 122.81 3ksi s ASN 8 Ca 0.05 -2.56 0.10 0.00 0.04 0.00 0.00 52.86 50.49 3ksi s ASN 8 Cb -0.12 -2.49 0.97 0.00 -1.54 0.00 0.00 41.25 38.07 3ksi s ASN 8 CO 0.02 -1.01 2.06 1.88 -3.04 0.00 0.00 177.10 177.00 3ksi h TYR 9 N 7.68 0.40 -0.20 0.43 0.05 -1.97 -1.35 116.97 122.01 3ksi h TYR 9 Ca 0.35 0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.16 3ksi h TYR 9 Cb 0.89 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 3ksi h TYR 9 CO 1.26 0.24 0.05 1.15 -1.05 0.00 0.00 178.16 179.81 3ksi h THR 10 N 0.42 0.93 -0.04 -2.88 2.02 -2.00 -0.19 112.91 111.16 3ksi h THR 10 Ca 0.15 -0.05 -0.18 0.00 0.77 0.00 0.00 66.41 67.11 3ksi h THR 10 Cb 0.09 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3ksi h THR 10 CO -0.04 0.02 -0.76 -0.07 0.37 0.00 0.00 175.52 175.05 3ksi h LEU 11 N 0.14 0.34 -1.21 2.58 3.38 -1.90 -3.20 115.31 115.45 3ksi h LEU 11 Ca 0.09 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ksi h LEU 11 Cb 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3ksi h LEU 11 CO -0.10 0.97 0.54 0.25 0.09 0.00 0.00 178.44 180.19 3ksi h LEU 12 N 0.18 0.93 -1.15 1.67 5.85 -0.76 -1.38 115.31 120.65 3ksi h LEU 12 Ca -0.03 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3ksi h LEU 12 Cb 1.33 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3ksi h LEU 12 CO 0.12 0.67 0.13 0.11 -0.34 0.00 0.00 178.44 179.13 3ksi h LYS 13 N 1.09 0.73 -0.30 1.25 1.57 -1.04 0.96 116.57 120.83 3ksi h LYS 13 Ca 0.30 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 3ksi h LYS 13 Cb -0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3ksi h LYS 13 CO -0.07 0.65 -0.46 0.87 -0.57 0.00 0.00 179.45 179.88 3ksi h LYS 14 N 0.71 0.79 -0.28 3.15 6.56 -1.37 -2.41 116.57 123.71 3ksi h LYS 14 Ca 0.16 -0.45 -0.03 0.00 -1.06 0.00 0.00 60.65 59.28 3ksi h LYS 14 Cb 0.25 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 3ksi h LYS 14 CO -0.00 1.08 0.07 1.96 -2.06 0.00 0.00 179.45 180.50 3ksi h GLN 15 N 0.63 0.45 -0.77 3.15 4.20 -0.76 -2.74 115.11 119.26 3ksi h GLN 15 Ca 0.04 -0.11 0.12 0.00 0.06 0.00 0.00 58.65 58.76 3ksi h GLN 15 Cb 1.03 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.67 3ksi h GLN 15 CO 0.10 0.53 0.38 0.00 -0.67 0.00 0.00 178.83 179.16 3ksi h ALA 16 N 0.90 1.11 -0.40 3.87 0.00 -0.73 0.28 119.26 124.29 3ksi h ALA 16 Ca 0.09 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3ksi h ALA 16 Cb 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ksi h ALA 16 CO 0.00 -0.09 0.38 0.00 0.00 0.00 0.00 179.25 179.55 3ksi h ALA 17 N 1.50 2.16 0.00 0.00 0.00 -1.11 -1.49 119.26 120.32 3ksi h ALA 17 Ca 0.41 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 3ksi h ALA 17 Cb 0.52 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3ksi h ALA 17 CO -0.33 -0.59 -0.73 0.66 0.00 0.00 0.00 179.25 178.26 3ksi h SER 18 N 0.00 0.00 -0.58 0.00 4.64 -0.41 0.21 113.55 117.42 3ksi h SER 18 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3ksi h SER 18 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3ksi h SER 18 CO -0.00 0.58 0.00 0.18 -0.87 0.00 0.00 176.83 176.72 3ksi n LEU 19 N -3.18 3.62 0.00 5.97 4.77 -0.59 -4.21 117.00 123.38 3ksi n LEU 19 Ca -0.00 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 3ksi n LEU 19 Cb 0.78 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3ksi n LEU 19 CO 0.42 0.75 -0.31 -0.38 -1.33 0.00 0.00 177.39 176.54 3ksi n ILE 20 N 1.10 0.00 -1.70 -0.08 5.41 -1.03 -4.71 119.36 118.35 3ksi n ILE 20 Ca 0.21 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.52 3ksi n ILE 20 Cb 0.63 -0.35 -0.02 0.00 -0.71 0.00 0.00 39.64 39.19 3ksi n ILE 20 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ksi n GLU 21 N -2.15 2.26 -0.80 0.38 2.13 0.73 -2.19 120.64 121.00 3ksi n GLU 21 Ca 0.00 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.62 3ksi n GLU 21 Cb 0.31 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.52 3ksi n GLU 21 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ksi n ASP 22 N 2.09 -1.91 -4.79 4.31 10.43 -1.26 -4.97 116.55 120.45 3ksi n ASP 22 Ca 0.10 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.10 3ksi n ASP 22 Cb 0.33 -1.95 -0.07 0.00 1.84 0.00 0.00 41.12 41.27 3ksi n ASP 22 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3ksi s GLU 23 N -0.90 3.55 0.00 -1.24 0.41 -0.93 -4.98 118.70 114.60 3ksi s GLU 23 Ca 0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.34 3ksi s GLU 23 Cb 0.00 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 3ksi s GLU 23 CO 0.00 0.63 0.47 0.72 -0.49 0.00 0.00 175.26 176.59 3ksi n HIS 24 N 2.45 0.00 -3.06 1.61 8.25 -1.26 -4.92 115.22 118.28 3ksi n HIS 24 Ca -0.19 -0.07 -0.44 0.00 -0.26 0.00 0.00 57.72 56.76 3ksi n HIS 24 Cb 0.54 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 3ksi n HIS 24 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3ksi s HIS 25 N -0.15 2.95 0.19 4.41 3.76 -1.26 -4.94 115.29 120.26 3ksi s HIS 25 Ca 0.00 -0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 54.27 3ksi s HIS 25 Cb 0.00 -3.80 0.23 0.00 1.11 0.00 0.00 32.58 30.11 3ksi s HIS 25 CO 0.00 -1.21 1.72 1.98 -0.85 0.00 0.00 174.74 176.39 3ksi h MET 26 N 9.15 0.27 -0.72 1.40 4.05 -1.99 -1.48 114.93 125.61 3ksi h MET 26 Ca -0.28 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.11 3ksi h MET 26 Cb 1.09 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 3ksi h MET 26 CO 1.04 0.18 0.38 0.82 0.23 0.00 0.00 176.91 179.56 3ksi h ILE 27 N 0.28 1.22 -0.59 1.77 1.08 -1.99 0.32 117.51 119.60 3ksi h ILE 27 Ca 0.27 -0.55 -0.10 0.00 -0.39 0.00 0.00 64.86 64.09 3ksi h ILE 27 Cb 0.36 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 3ksi h ILE 27 CO -0.33 0.24 -0.02 0.00 -0.69 0.00 0.00 178.15 177.36 3ksi h ALA 28 N 1.42 0.80 -0.27 1.87 0.00 -1.82 0.30 119.26 121.56 3ksi h ALA 28 Ca 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ksi h ALA 28 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ksi h ALA 28 CO -0.04 0.65 0.11 0.82 0.00 0.00 0.00 179.25 180.79 3ksi h ILE 29 N 0.95 1.17 -0.49 0.00 2.04 -0.59 -1.44 117.51 119.16 3ksi h ILE 29 Ca 0.17 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 3ksi h ILE 29 Cb 0.58 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3ksi h ILE 29 CO 0.03 0.17 -0.06 -0.07 0.00 0.00 0.00 178.15 178.23 3ksi h LEU 30 N 0.28 0.85 0.07 1.44 4.07 -0.81 -0.03 115.31 121.18 3ksi h LEU 30 Ca 0.09 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 3ksi h LEU 30 Cb 0.17 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.68 3ksi h LEU 30 CO -0.01 0.95 -0.04 0.28 -1.08 0.00 0.00 178.44 178.54 3ksi h SER 31 N 0.79 -0.09 -0.54 -0.43 0.02 -0.78 -1.17 113.55 111.34 3ksi h SER 31 Ca 0.14 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3ksi h SER 31 Cb 0.56 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 3ksi h SER 31 CO 0.03 0.16 0.19 0.78 -1.14 0.00 0.00 176.83 176.86 3ksi h ASN 32 N -0.34 0.81 -0.39 3.07 2.35 -1.19 -2.53 115.58 117.37 3ksi h ASN 32 Ca -0.01 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 3ksi h ASN 32 Cb 0.29 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3ksi h ASN 32 CO 0.02 0.76 -0.00 0.24 -1.65 0.00 0.00 177.43 176.80 3ksi h MET 33 N 0.86 0.77 -0.69 0.81 2.86 -0.86 -0.28 114.93 118.39 3ksi h MET 33 Ca 0.20 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3ksi h MET 33 Cb 0.24 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3ksi h MET 33 CO -0.01 0.78 0.30 0.66 1.06 0.00 0.00 176.91 179.70 3ksi h SER 34 N 0.72 0.91 -0.19 1.22 4.64 -0.80 -1.03 113.55 119.02 3ksi h SER 34 Ca 0.14 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3ksi h SER 34 Cb 0.44 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3ksi h SER 34 CO 0.02 0.80 -0.09 0.00 -0.87 0.00 0.00 176.83 176.69 3ksi h ALA 35 N 1.34 0.27 -0.23 5.18 0.00 -1.10 -1.44 119.26 123.28 3ksi h ALA 35 Ca 0.24 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ksi h ALA 35 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ksi h ALA 35 CO -0.02 0.09 0.07 1.25 0.00 0.00 0.00 179.25 180.64 3ksi h LEU 36 N 0.10 0.07 -0.59 0.00 5.85 -0.76 -0.14 115.31 119.84 3ksi h LEU 36 Ca 0.04 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3ksi h LEU 36 Cb 0.57 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3ksi h LEU 36 CO 0.03 0.07 0.25 -0.07 -0.34 0.00 0.00 178.44 178.38 3ksi h LEU 37 N 0.18 0.81 -1.18 2.25 -0.00 -1.18 -2.55 115.31 113.63 3ksi h LEU 37 Ca 0.10 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 3ksi h LEU 37 Cb 0.08 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.49 3ksi h LEU 37 CO -0.11 0.75 0.36 -1.13 -0.00 0.00 0.00 178.44 178.30 3ksi h ASN 38 N 0.82 0.82 1.00 -0.43 -1.24 -0.87 -1.23 115.58 114.45 3ksi h ASN 38 Ca 0.20 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3ksi h ASN 38 Cb 0.19 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.03 3ksi h ASN 38 CO -0.02 0.67 0.00 0.47 -1.29 0.00 0.00 177.43 177.26 3ksi n ASP 39 N -4.37 0.66 0.00 1.15 8.00 -0.10 -3.74 116.55 118.15 3ksi n ASP 39 Ca 0.06 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.18 3ksi n ASP 39 Cb 0.10 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 3ksi n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ksi n ASN 40 N -2.17 1.22 -4.28 -2.24 3.02 -0.76 -4.99 115.26 105.06 3ksi n ASN 40 Ca 0.04 -1.30 -0.34 0.00 -0.03 0.00 0.00 54.58 52.95 3ksi n ASN 40 Cb 0.31 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.33 3ksi n ASN 40 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ksi s LEU 41 N -0.30 2.61 0.45 3.41 1.43 -0.54 -4.73 118.68 121.00 3ksi s LEU 41 Ca 0.00 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3ksi s LEU 41 Cb 0.00 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3ksi s LEU 41 CO 0.00 0.05 0.74 -0.62 0.23 0.00 0.00 176.35 176.76 3ksi s ASP 42 N 1.03 6.29 -1.31 2.29 2.15 -1.26 -4.45 116.67 121.41 3ksi s ASP 42 Ca -0.01 0.87 -0.02 0.00 0.43 0.00 0.00 52.55 53.82 3ksi s ASP 42 Cb -0.15 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.26 3ksi s ASP 42 CO -0.02 -0.51 0.85 1.67 -0.17 0.00 0.00 175.17 176.98 3ksi n GLN 43 N -2.08 -5.67 -4.14 4.34 -0.06 -1.26 -4.88 117.38 103.63 3ksi n GLN 43 Ca -0.00 0.69 -0.13 0.00 -2.00 0.00 0.00 57.00 55.56 3ksi n GLN 43 Cb 0.55 -5.45 -0.11 0.00 -4.06 0.00 0.00 30.24 21.17 3ksi n GLN 43 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3ksi s ILE 44 N -3.52 0.77 0.00 1.69 -4.36 -1.26 -4.35 121.20 110.17 3ksi s ILE 44 Ca 0.12 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 3ksi s ILE 44 Cb -0.06 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.48 3ksi s ILE 44 CO 0.79 -0.55 0.33 -0.46 0.24 0.00 0.00 174.94 175.29 3ksi n ASN 45 N 0.77 0.65 -3.64 4.36 0.23 -0.19 -4.82 115.26 112.62 3ksi n ASN 45 Ca -0.18 -0.86 -0.09 0.00 -0.53 0.00 0.00 54.58 52.93 3ksi n ASN 45 Cb 0.57 0.22 -0.07 0.00 -2.08 0.00 0.00 39.78 38.43 3ksi n ASN 45 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 3ksi s TRP 46 N -0.22 -0.81 -0.15 -2.53 -0.00 -1.19 -4.45 118.94 109.59 3ksi s TRP 46 Ca 0.00 1.76 -0.07 0.00 -0.00 0.00 0.00 56.10 57.80 3ksi s TRP 46 Cb 0.00 0.43 0.07 0.00 -0.00 0.00 0.00 33.47 33.97 3ksi s TRP 46 CO 0.00 -0.40 0.34 0.54 -0.00 0.00 0.00 176.95 177.44 3ksi s VAL 47 N 0.96 -0.28 0.00 5.86 0.11 -0.80 -0.54 120.40 125.71 3ksi s VAL 47 Ca -0.04 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 3ksi s VAL 47 Cb -0.05 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 3ksi s VAL 47 CO -0.10 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 3ksi n GLY 48 N 4.81 0.95 3.24 6.54 0.00 -0.39 -0.38 105.19 119.95 3ksi n GLY 48 Ca -0.16 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 3ksi n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksi s PHE 49 N -2.68 1.44 -0.01 1.61 0.08 -0.26 -0.61 117.98 117.55 3ksi s PHE 49 Ca 0.00 -0.50 0.06 0.00 0.12 0.00 0.00 56.93 56.61 3ksi s PHE 49 Cb 0.00 -0.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.66 3ksi s PHE 49 CO 0.00 0.14 -0.19 0.71 -0.10 0.00 0.00 175.22 175.79 3ksi s TYR 50 N -1.74 1.67 -0.07 0.36 1.51 -0.97 -0.17 117.35 117.95 3ksi s TYR 50 Ca 0.06 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3ksi s TYR 50 Cb -0.07 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 3ksi s TYR 50 CO 0.03 -0.03 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.81 3ksi s LEU 51 N -0.44 2.84 -0.15 -1.29 1.02 0.56 -1.05 118.68 120.18 3ksi s LEU 51 Ca 0.07 -0.17 -0.29 0.00 0.02 0.00 0.00 54.13 53.76 3ksi s LEU 51 Cb -0.07 -1.60 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 3ksi s LEU 51 CO -0.01 0.32 1.23 -0.76 0.02 0.00 0.00 176.35 177.16 3ksi s LEU 52 N -0.59 4.19 -0.05 1.79 1.43 -0.28 -0.21 118.68 124.97 3ksi s LEU 52 Ca 0.09 1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.85 3ksi s LEU 52 Cb -0.11 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.59 3ksi s LEU 52 CO 0.01 -0.71 0.11 -1.61 0.23 0.00 0.00 176.35 174.38 3ksi s GLU 53 N 3.20 0.08 -1.71 1.70 2.02 0.18 -4.87 118.70 119.31 3ksi s GLU 53 Ca 0.54 0.24 -0.18 0.00 0.02 0.00 0.00 54.97 55.59 3ksi s GLU 53 Cb -0.22 -0.09 0.16 0.00 0.10 0.00 0.00 34.13 34.09 3ksi s GLU 53 CO 0.15 -0.10 0.72 1.04 0.02 0.00 0.00 175.26 177.09 3ksi n GLN 54 N 3.69 -2.74 -3.10 1.61 3.00 -1.26 -1.39 117.38 117.18 3ksi n GLN 54 Ca -0.20 0.33 -0.19 0.00 -0.01 0.00 0.00 57.00 56.93 3ksi n GLN 54 Cb 0.55 -4.97 0.05 0.00 0.00 0.00 0.00 30.24 25.86 3ksi n GLN 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3ksi n ASN 55 N -2.65 -5.39 -3.56 1.08 5.15 -1.26 -5.02 115.26 103.61 3ksi n ASN 55 Ca 0.05 -0.32 -0.14 0.00 -0.60 0.00 0.00 54.58 53.57 3ksi n ASN 55 Cb 0.50 -4.12 -0.05 0.00 -0.53 0.00 0.00 39.78 35.58 3ksi n ASN 55 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3ksi s GLU 56 N -5.74 1.07 0.02 1.20 -1.05 -0.48 -4.39 118.70 109.32 3ksi s GLU 56 Ca 0.35 -0.27 -0.25 0.00 -0.15 0.00 0.00 54.97 54.65 3ksi s GLU 56 Cb -0.15 0.49 -0.05 0.00 -0.44 0.00 0.00 34.13 33.98 3ksi s GLU 56 CO 0.43 -0.40 0.75 -0.51 0.95 0.00 0.00 175.26 176.49 3ksi s LEU 57 N -2.08 4.41 -0.11 1.83 1.43 0.42 -0.64 118.68 123.94 3ksi s LEU 57 Ca -0.04 1.39 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 3ksi s LEU 57 Cb -0.00 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.01 3ksi s LEU 57 CO -0.03 -0.02 -0.21 -0.63 0.23 0.00 0.00 176.35 175.68 3ksi s ILE 58 N 0.17 2.27 0.22 -0.59 -1.09 0.70 -1.31 121.20 121.58 3ksi s ILE 58 Ca 0.39 -0.94 -0.32 0.00 -2.23 0.00 0.00 60.65 57.55 3ksi s ILE 58 Cb -0.20 -1.89 -0.14 0.00 -1.58 0.00 0.00 42.46 38.65 3ksi s ILE 58 CO 0.22 0.55 1.36 -0.11 -1.23 0.00 0.00 174.94 175.73 3ksi n LEU 59 N 3.58 2.77 0.00 2.97 7.94 0.02 -0.32 117.00 133.96 3ksi n LEU 59 Ca -0.19 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3ksi n LEU 59 Cb 0.53 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.10 3ksi n LEU 59 CO 0.28 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.52 3ksi n GLY 60 N 2.17 6.38 3.68 -3.96 0.00 0.77 -4.80 105.19 109.42 3ksi n GLY 60 Ca 0.12 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3ksi n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksi n PRO 61 N 0.00 1.71 -3.68 1.61 -0.02 -1.26 -4.53 135.00 128.83 3ksi n PRO 61 Ca 0.00 0.61 -0.07 0.00 -2.02 0.00 0.00 63.50 62.02 3ksi n PRO 61 Cb 0.00 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 3ksi n PRO 61 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ksi s PHE 62 N -1.24 -0.27 -0.18 6.00 -0.12 -1.26 -1.10 117.98 119.81 3ksi s PHE 62 Ca 0.63 -0.04 0.01 0.00 -0.05 0.00 0.00 56.93 57.48 3ksi s PHE 62 Cb -0.51 0.63 0.02 0.00 -0.63 0.00 0.00 43.02 42.53 3ksi s PHE 62 CO 0.57 -0.94 -0.19 -0.65 -0.05 0.00 0.00 175.22 173.96 3ksi s GLN 63 N -3.59 3.03 0.00 1.99 -1.52 0.48 -4.96 119.66 115.09 3ksi s GLN 63 Ca 0.08 -0.82 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 3ksi s GLN 63 Cb -0.03 -2.59 0.00 0.00 -0.22 0.00 0.00 33.01 30.18 3ksi s GLN 63 CO -0.01 -0.18 0.00 0.41 -0.25 0.00 0.00 175.29 175.26 3ksi n GLY 64 N 4.55 0.35 3.89 3.09 0.00 -1.26 -1.91 105.19 113.90 3ksi n GLY 64 Ca -0.21 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 3ksi n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ksi s HIS 65 N -2.86 3.48 0.46 1.61 3.76 -1.26 -5.01 115.29 115.47 3ksi s HIS 65 Ca 0.00 0.98 -0.22 0.00 -0.15 0.00 0.00 55.06 55.67 3ksi s HIS 65 Cb 0.00 -2.67 -0.10 0.00 1.11 0.00 0.00 32.58 30.92 3ksi s HIS 65 CO 0.00 -0.69 0.81 -2.30 -0.85 0.00 0.00 174.74 171.71 3ksi n PRO 66 N -2.62 0.95 -4.37 8.40 -0.02 -1.26 -5.00 135.00 131.07 3ksi n PRO 66 Ca 0.04 0.35 -0.19 0.00 -2.02 0.00 0.00 63.50 61.68 3ksi n PRO 66 Cb 0.56 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 3ksi n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksi s ALA 67 N -1.42 2.03 0.34 3.55 0.00 -1.26 -5.12 121.76 119.87 3ksi s ALA 67 Ca 0.66 -1.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 3ksi s ALA 67 Cb -0.54 0.92 -0.10 0.00 0.00 0.00 0.00 23.12 23.40 3ksi s ALA 67 CO 0.56 -0.41 1.34 0.00 0.00 0.00 0.00 175.76 177.24 3ksi h VAL 69 N 3.03 1.24 -3.41 0.00 2.07 -1.97 -3.42 116.25 113.79 3ksi h VAL 69 Ca -0.49 -2.56 -0.64 0.00 0.82 0.00 0.00 66.70 63.83 3ksi h VAL 69 Cb 1.23 2.98 -0.21 0.00 -1.52 0.00 0.00 31.29 33.76 3ksi h VAL 69 CO 0.65 0.77 -0.64 -1.00 0.02 0.00 0.00 177.57 177.37 3ksi s HIS 70 N -2.52 3.07 -0.16 1.57 3.76 -1.26 -0.80 115.29 118.95 3ksi s HIS 70 Ca -0.14 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 3ksi s HIS 70 Cb 0.03 -2.07 0.04 0.00 1.11 0.00 0.00 32.58 31.69 3ksi s HIS 70 CO 0.86 -0.14 -0.05 0.42 -0.85 0.00 0.00 174.74 174.98 3ksi s ILE 71 N 0.83 1.08 0.49 0.60 -1.09 -0.43 -4.99 121.20 117.68 3ksi s ILE 71 Ca 0.01 -0.59 -0.22 0.00 -2.23 0.00 0.00 60.65 57.62 3ksi s ILE 71 Cb -0.14 -1.25 -0.06 0.00 -1.58 0.00 0.00 42.46 39.43 3ksi s ILE 71 CO 0.02 0.14 1.22 -2.84 -1.23 0.00 0.00 174.94 172.25 3ksi s PRO 72 N 1.65 3.54 0.31 2.79 0.02 -1.26 -0.44 135.00 141.61 3ksi s PRO 72 Ca 0.01 1.89 -0.29 0.00 0.02 0.00 0.00 61.00 62.63 3ksi s PRO 72 Cb -0.15 -2.33 -0.11 0.00 0.02 0.00 0.00 34.50 31.93 3ksi s PRO 72 CO -0.08 -0.76 1.48 0.42 -0.33 0.00 0.00 177.00 177.73 3ksi s ILE 73 N -1.49 2.33 0.00 2.83 1.01 -1.26 -1.91 121.20 122.70 3ksi s ILE 73 Ca 0.67 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.62 3ksi s ILE 73 Cb -0.32 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3ksi s ILE 73 CO 0.38 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.98 3ksi n GLY 74 N 1.54 1.61 3.42 6.18 0.00 -0.17 -4.95 105.19 112.81 3ksi n GLY 74 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3ksi n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksi s LYS 75 N -0.43 1.89 0.15 1.61 1.02 -0.80 -4.47 119.74 118.70 3ksi s LYS 75 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.91 3ksi s LYS 75 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3ksi s LYS 75 CO 0.00 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 3ksi n GLY 76 N 1.47 -2.03 0.20 -3.33 0.00 0.10 -1.66 105.19 99.94 3ksi n GLY 76 Ca -0.16 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 3ksi n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ksi h VAL 77 N -0.46 1.22 -0.45 1.61 2.07 -1.94 -1.01 116.25 117.28 3ksi h VAL 77 Ca -0.02 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3ksi h VAL 77 Cb 0.45 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3ksi h VAL 77 CO 0.01 0.26 0.10 0.00 0.02 0.00 0.00 177.57 177.96 3ksi h GLY 79 N 0.61 0.32 2.00 0.00 0.00 -1.24 -2.54 103.07 102.22 3ksi h GLY 79 Ca 0.14 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 3ksi h GLY 79 CO 0.00 0.24 -0.55 -0.84 0.00 0.00 0.00 176.54 175.39 3ksi h THR 80 N 0.27 1.34 -0.72 4.70 2.02 -0.98 -0.19 112.91 119.35 3ksi h THR 80 Ca 0.04 -1.93 -0.07 0.00 0.77 0.00 0.00 66.41 65.22 3ksi h THR 80 Cb 0.64 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 69.08 3ksi h THR 80 CO 0.05 0.54 0.19 0.00 0.37 0.00 0.00 175.52 176.67 3ksi h ALA 81 N 1.45 0.98 -0.17 6.16 0.00 -0.96 0.12 119.26 126.83 3ksi h ALA 81 Ca -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3ksi h ALA 81 Cb 1.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ksi h ALA 81 CO 0.07 0.67 -0.24 -0.24 0.00 0.00 0.00 179.25 179.51 3ksi h VAL 82 N 1.08 1.35 -0.10 0.00 3.04 -1.33 -0.71 116.25 119.58 3ksi h VAL 82 Ca 0.23 -1.45 -0.08 0.00 -1.01 0.00 0.00 66.70 64.38 3ksi h VAL 82 Cb 0.35 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 3ksi h VAL 82 CO -0.00 0.44 -0.31 0.77 -1.01 0.00 0.00 177.57 177.45 3ksi h SER 83 N 0.10 0.20 1.36 3.17 4.64 -1.21 -2.18 113.55 119.63 3ksi h SER 83 Ca 0.02 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3ksi h SER 83 Cb 0.81 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3ksi h SER 83 CO 0.06 0.51 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.93 3ksi h GLU 84 N 0.17 0.00 -3.53 4.77 4.39 -0.97 -3.47 114.58 115.94 3ksi h GLU 84 Ca 0.02 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.33 3ksi h GLU 84 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3ksi h GLU 84 CO 0.05 0.00 -0.53 0.54 -1.16 0.00 0.00 179.01 177.91 3ksi n ARG 85 N -2.42 -2.56 -3.64 2.33 1.74 -0.30 -4.96 116.66 106.85 3ksi n ARG 85 Ca 0.04 0.92 -0.12 0.00 -0.77 0.00 0.00 57.85 57.92 3ksi n ARG 85 Cb 0.46 -5.63 -0.06 0.00 -1.02 0.00 0.00 32.46 26.21 3ksi n ARG 85 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3ksi s ARG 86 N -5.23 0.97 0.35 5.56 1.70 -1.07 -5.00 118.95 116.22 3ksi s ARG 86 Ca 0.08 -0.43 -0.28 0.00 -0.47 0.00 0.00 55.73 54.63 3ksi s ARG 86 Cb -0.04 0.43 -0.12 0.00 -0.57 0.00 0.00 34.95 34.66 3ksi s ARG 86 CO 0.10 -0.35 1.41 2.41 -1.08 0.00 0.00 175.30 177.80 3ksi n THR 87 N 0.31 1.83 -4.01 4.99 -1.04 -1.26 -4.64 114.28 110.46 3ksi n THR 87 Ca -0.18 -0.46 -0.35 0.00 -2.04 0.00 0.00 64.05 61.03 3ksi n THR 87 Cb 0.61 -1.78 -0.14 0.00 -1.82 0.00 0.00 70.33 67.20 3ksi n THR 87 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ksi s GLN 88 N -1.74 3.36 -0.35 -2.82 -1.52 -0.28 -4.97 119.66 111.34 3ksi s GLN 88 Ca 0.56 -0.64 -0.03 0.00 -1.95 0.00 0.00 55.36 53.30 3ksi s GLN 88 Cb -0.53 -2.94 0.07 0.00 -0.22 0.00 0.00 33.01 29.39 3ksi s GLN 88 CO 0.61 -0.15 0.10 0.08 -0.25 0.00 0.00 175.29 175.67 3ksi s VAL 89 N 1.34 3.27 -0.30 1.09 1.01 -1.26 -1.33 120.40 124.22 3ksi s VAL 89 Ca 0.04 -1.57 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 3ksi s VAL 89 Cb -0.14 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3ksi s VAL 89 CO -0.03 -0.33 0.10 -0.69 0.00 0.00 0.00 175.10 174.15 3ksi s VAL 90 N 1.25 4.21 0.17 2.92 1.01 0.39 -4.97 120.40 125.37 3ksi s VAL 90 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3ksi s VAL 90 Cb -0.21 -3.14 -0.15 0.00 0.00 0.00 0.00 36.38 32.88 3ksi s VAL 90 CO -0.01 0.10 1.38 0.00 0.00 0.00 0.00 175.10 176.56 3ksi h ALA 91 N 8.27 0.53 -2.25 5.51 0.00 -1.89 -1.13 119.26 128.30 3ksi h ALA 91 Ca -0.32 -0.76 -0.42 0.00 0.00 0.00 0.00 54.91 53.40 3ksi h ALA 91 Cb 1.14 -0.10 -0.35 0.00 0.00 0.00 0.00 17.79 18.48 3ksi h ALA 91 CO 0.61 1.00 -0.72 0.34 0.00 0.00 0.00 179.25 180.48 3ksi s ASP 92 N -6.85 2.01 0.36 0.00 3.68 -1.26 -0.53 116.67 114.07 3ksi s ASP 92 Ca -0.01 -1.44 0.12 0.00 2.13 0.00 0.00 52.55 53.34 3ksi s ASP 92 Cb 0.10 0.22 0.91 0.00 -1.45 0.00 0.00 42.92 42.70 3ksi s ASP 92 CO 0.82 -0.33 1.80 0.58 0.13 0.00 0.00 175.17 178.17 3ksi h VAL 93 N 5.57 0.68 0.00 1.11 2.07 -1.34 0.85 116.25 125.18 3ksi h VAL 93 Ca -0.03 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3ksi h VAL 93 Cb 1.04 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3ksi h VAL 93 CO 0.28 0.11 -0.02 -0.74 0.02 0.00 0.00 177.57 177.22 3ksi h HIS 94 N 0.60 0.00 -0.46 1.57 -0.00 -1.83 -0.98 115.15 114.05 3ksi h HIS 94 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.91 3ksi h HIS 94 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 3ksi h HIS 94 CO -0.00 0.02 0.00 1.04 -0.00 0.00 0.00 177.93 178.98 3ksi n GLN 95 N -3.29 2.67 -2.80 5.26 1.13 0.27 -4.95 117.38 115.68 3ksi n GLN 95 Ca -0.02 -2.22 -0.42 0.00 -1.94 0.00 0.00 57.00 52.39 3ksi n GLN 95 Cb 0.13 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 29.07 3ksi n GLN 95 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3ksi s PHE 96 N -1.03 3.25 -0.24 1.08 2.19 -0.37 -4.98 117.98 117.88 3ksi s PHE 96 Ca 0.32 1.13 -0.28 0.00 0.33 0.00 0.00 56.93 58.43 3ksi s PHE 96 Cb 0.17 -3.28 -0.04 0.00 -1.31 0.00 0.00 43.02 38.56 3ksi s PHE 96 CO 0.23 -0.54 2.10 0.21 1.83 0.00 0.00 175.22 179.05 3ksi s LYS 97 N 3.13 3.21 0.00 10.12 2.47 -1.26 -1.71 119.74 135.69 3ksi s LYS 97 Ca 0.38 1.89 0.00 0.00 -1.56 0.00 0.00 55.97 56.69 3ksi s LYS 97 Cb -0.14 -4.32 0.00 0.00 -1.46 0.00 0.00 37.83 31.91 3ksi s LYS 97 CO 0.10 -2.01 0.00 0.41 0.16 0.00 0.00 175.35 174.01 3ksi n GLY 98 N 5.63 0.83 3.75 5.54 0.00 -1.26 -4.97 105.19 114.71 3ksi n GLY 98 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 3ksi n GLY 98 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ksi s HIS 99 N -2.00 2.33 0.41 1.61 -3.43 -0.70 -0.72 115.29 112.80 3ksi s HIS 99 Ca 0.00 1.56 0.03 0.00 -0.80 0.00 0.00 55.06 55.85 3ksi s HIS 99 Cb 0.00 -3.38 -0.04 0.00 -1.43 0.00 0.00 32.58 27.73 3ksi s HIS 99 CO 0.00 -2.19 0.07 0.96 -2.00 0.00 0.00 174.74 171.57 3ksi s ILE 100 N -1.95 1.04 0.41 -5.38 -4.36 -1.26 -4.74 121.20 104.96 3ksi s ILE 100 Ca 0.73 -2.00 0.12 0.00 -0.26 0.00 0.00 60.65 59.25 3ksi s ILE 100 Cb -0.27 -2.48 0.33 0.00 1.25 0.00 0.00 42.46 41.28 3ksi s ILE 100 CO 0.40 0.00 1.95 0.00 0.24 0.00 0.00 174.94 177.53 3ksi h ALA 101 N 1.76 1.97 0.00 2.27 0.00 -2.02 0.43 119.26 123.67 3ksi h ALA 101 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ksi h ALA 101 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ksi h ALA 101 CO 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3ksi n ASP 103 N -2.34 2.14 -0.31 0.00 8.00 0.14 -4.65 116.55 119.53 3ksi n ASP 103 Ca -0.00 -1.71 0.14 0.00 0.71 0.00 0.00 54.79 53.93 3ksi n ASP 103 Cb 0.12 -0.01 0.30 0.00 -0.02 0.00 0.00 41.12 41.52 3ksi n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ksi h ALA 104 N 4.49 1.27 -0.04 2.24 0.00 -1.27 -1.47 119.26 124.48 3ksi h ALA 104 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ksi h ALA 104 Cb 0.71 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ksi h ALA 104 CO 0.00 -0.52 0.00 -1.71 0.00 0.00 0.00 179.25 177.02 3ksi n ASN 105 N -5.30 0.72 -4.63 0.00 5.15 -1.26 -4.78 115.26 105.16 3ksi n ASN 105 Ca 0.22 -1.39 -0.37 0.00 -0.60 0.00 0.00 54.58 52.45 3ksi n ASN 105 Cb 0.73 -0.02 -0.10 0.00 -0.53 0.00 0.00 39.78 39.85 3ksi n ASN 105 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3ksi s SER 106 N -1.79 6.00 -0.10 1.20 0.01 -0.56 -4.75 113.70 113.71 3ksi s SER 106 Ca 0.37 0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.61 3ksi s SER 106 Cb 0.18 -2.09 -0.27 0.00 0.21 0.00 0.00 66.02 64.05 3ksi s SER 106 CO 0.30 0.03 0.43 0.11 0.41 0.00 0.00 173.24 174.52 3ksi h LYS 107 N 7.77 0.30 -4.22 12.44 1.79 -1.21 -3.41 116.57 130.02 3ksi h LYS 107 Ca -0.37 -0.51 -0.13 0.00 -2.18 0.00 0.00 60.65 57.46 3ksi h LYS 107 Cb 1.18 0.19 -0.15 0.00 -1.58 0.00 0.00 32.23 31.87 3ksi h LYS 107 CO 0.62 1.24 -0.62 -1.54 -1.08 0.00 0.00 179.45 178.07 3ksi s SER 108 N -7.10 0.38 0.00 0.86 1.04 -1.18 -1.07 113.70 106.64 3ksi s SER 108 Ca -0.21 -1.00 -0.28 0.00 0.48 0.00 0.00 55.95 54.94 3ksi s SER 108 Cb 0.06 0.25 0.10 0.00 0.10 0.00 0.00 66.02 66.53 3ksi s SER 108 CO 0.79 -0.66 0.83 -0.70 0.98 0.00 0.00 173.24 174.48 3ksi s GLU 109 N -3.95 0.89 -0.03 4.02 2.12 -0.43 -1.03 118.70 120.30 3ksi s GLU 109 Ca 0.11 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.23 3ksi s GLU 109 Cb 0.07 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.89 3ksi s GLU 109 CO -0.07 -0.37 -0.04 -1.50 -0.54 0.00 0.00 175.26 172.74 3ksi s ILE 110 N -2.80 0.45 -0.10 -3.70 2.07 -0.51 -0.46 121.20 116.15 3ksi s ILE 110 Ca 0.02 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 3ksi s ILE 110 Cb -0.01 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 42.14 3ksi s ILE 110 CO -0.07 0.18 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.36 3ksi s VAL 111 N 0.59 1.06 -0.19 4.00 1.01 -0.44 -1.42 120.40 125.00 3ksi s VAL 111 Ca -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 3ksi s VAL 111 Cb -0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3ksi s VAL 111 CO -0.00 0.36 -0.07 -0.69 0.00 0.00 0.00 175.10 174.70 3ksi s VAL 112 N 1.35 3.29 0.43 2.92 1.01 -0.05 -1.12 120.40 128.23 3ksi s VAL 112 Ca -0.02 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3ksi s VAL 112 Cb -0.14 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 3ksi s VAL 112 CO -0.04 0.46 1.16 -2.84 0.00 0.00 0.00 175.10 173.83 3ksi s PRO 113 N 1.15 3.90 -0.17 2.72 0.02 -1.26 -0.75 135.00 140.60 3ksi s PRO 113 Ca 0.02 1.78 -0.02 0.00 0.02 0.00 0.00 61.00 62.79 3ksi s PRO 113 Cb -0.14 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.85 3ksi s PRO 113 CO -0.01 -0.44 -0.08 0.42 -0.33 0.00 0.00 177.00 176.56 3ksi s ILE 114 N -1.51 3.38 0.18 2.83 1.01 0.15 -4.88 121.20 122.36 3ksi s ILE 114 Ca 0.61 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.81 3ksi s ILE 114 Cb -0.29 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3ksi s ILE 114 CO 0.36 0.48 0.00 -0.36 0.00 0.00 0.00 174.94 175.42 3ksi s PHE 115 N 0.75 2.85 -0.22 3.97 0.40 -1.26 -0.71 117.98 123.76 3ksi s PHE 115 Ca -0.03 -0.14 -0.05 0.00 -0.60 0.00 0.00 56.93 56.11 3ksi s PHE 115 Cb -0.15 -1.37 0.11 0.00 0.51 0.00 0.00 43.02 42.12 3ksi s PHE 115 CO 0.02 0.52 0.42 0.21 0.70 0.00 0.00 175.22 177.09 3ksi s LYS 116 N -2.98 0.35 -1.35 0.44 2.20 0.24 -4.82 119.74 113.82 3ksi s LYS 116 Ca 0.28 0.89 -0.08 0.00 -0.36 0.00 0.00 55.97 56.70 3ksi s LYS 116 Cb -0.09 0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 3ksi s LYS 116 CO 0.19 -0.39 1.14 -0.25 -0.36 0.00 0.00 175.35 175.67 3ksi n ASP 117 N 5.39 -5.54 -0.21 1.43 8.00 -1.26 -1.55 116.55 122.80 3ksi n ASP 117 Ca -0.07 -0.57 -0.03 0.00 0.71 0.00 0.00 54.79 54.83 3ksi n ASP 117 Cb 0.50 -4.96 -0.01 0.00 -0.02 0.00 0.00 41.12 36.63 3ksi n ASP 117 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ksi n ASP 118 N -3.02 -4.98 -4.43 -2.24 8.00 -1.26 -4.98 116.55 103.64 3ksi n ASP 118 Ca -0.04 0.07 -0.33 0.00 0.71 0.00 0.00 54.79 55.20 3ksi n ASP 118 Cb 0.58 -2.72 -0.14 0.00 -0.02 0.00 0.00 41.12 38.81 3ksi n ASP 118 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ksi s LYS 119 N -1.72 2.76 -0.13 -1.24 2.20 -0.60 -5.09 119.74 115.93 3ksi s LYS 119 Ca 0.00 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.60 3ksi s LYS 119 Cb 0.00 -2.43 -0.01 0.00 -1.51 0.00 0.00 37.83 33.88 3ksi s LYS 119 CO 0.00 0.48 1.12 0.42 -0.36 0.00 0.00 175.35 177.01 3ksi s ILE 120 N -0.36 4.51 -1.35 5.43 1.01 -1.26 -0.59 121.20 128.59 3ksi s ILE 120 Ca 0.03 1.81 0.15 0.00 0.00 0.00 0.00 60.65 62.65 3ksi s ILE 120 Cb -0.12 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 3ksi s ILE 120 CO 0.02 -0.07 0.80 2.30 0.00 0.00 0.00 174.94 178.00 3ksi n ILE 121 N 4.92 0.00 -3.71 2.92 -5.35 0.12 -4.82 119.36 113.43 3ksi n ILE 121 Ca 0.11 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3ksi n ILE 121 Cb 0.47 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 3ksi n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksi n GLY 122 N 1.09 -1.15 3.17 3.28 0.00 -1.22 -1.12 105.19 109.24 3ksi n GLY 122 Ca 0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3ksi n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksi s VAL 123 N -3.00 0.13 -0.21 1.61 -7.23 -0.21 -0.67 120.40 110.81 3ksi s VAL 123 Ca 0.00 -1.06 -0.09 0.00 -1.81 0.00 0.00 61.98 59.03 3ksi s VAL 123 Cb 0.00 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 3ksi s VAL 123 CO 0.00 -0.58 0.11 -0.22 -0.31 0.00 0.00 175.10 174.09 3ksi s LEU 124 N -2.37 3.92 -0.11 1.32 2.96 0.07 -2.29 118.68 122.18 3ksi s LEU 124 Ca -0.01 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3ksi s LEU 124 Cb 0.01 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.69 3ksi s LEU 124 CO -0.07 0.11 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.28 3ksi s ASP 125 N 0.76 2.57 -0.11 3.68 2.15 0.23 -0.87 116.67 125.08 3ksi s ASP 125 Ca 0.05 -0.46 -0.00 0.00 0.43 0.00 0.00 52.55 52.57 3ksi s ASP 125 Cb -0.13 -1.17 0.02 0.00 -0.30 0.00 0.00 42.92 41.35 3ksi s ASP 125 CO 0.02 0.06 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.36 3ksi s ILE 126 N 0.79 1.07 0.11 4.11 1.01 -0.51 -1.26 121.20 126.52 3ksi s ILE 126 Ca -0.10 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.28 3ksi s ILE 126 Cb -0.16 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3ksi s ILE 126 CO 0.01 0.37 0.00 -1.81 0.00 0.00 0.00 174.94 173.52 3ksi s ASP 127 N 1.63 4.99 0.11 3.58 1.01 0.30 -1.43 116.67 126.86 3ksi s ASP 127 Ca 0.04 -0.22 0.07 0.00 0.71 0.00 0.00 52.55 53.15 3ksi s ASP 127 Cb -0.13 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 3ksi s ASP 127 CO -0.08 0.15 -0.18 0.00 0.21 0.00 0.00 175.17 175.28 3ksi s ALA 128 N -1.41 1.67 -2.05 5.23 0.00 -0.20 -1.02 121.76 123.98 3ksi s ALA 128 Ca 0.26 -1.26 0.30 0.00 0.00 0.00 0.00 51.96 51.27 3ksi s ALA 128 Cb -0.11 -0.17 1.50 0.00 0.00 0.00 0.00 23.12 24.34 3ksi s ALA 128 CO 0.19 0.25 2.00 -0.35 0.00 0.00 0.00 175.76 177.85 3ksi n PRO 129 N 0.86 1.10 -4.27 0.00 -0.04 -1.26 -0.80 135.00 130.59 3ksi n PRO 129 Ca -0.18 -0.33 -0.15 0.00 -0.04 0.00 0.00 63.50 62.80 3ksi n PRO 129 Cb 0.55 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3ksi n PRO 129 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3ksi s ILE 130 N -2.12 1.25 0.69 0.52 -4.36 -1.26 -4.77 121.20 111.14 3ksi s ILE 130 Ca 0.40 -2.08 -0.11 0.00 -0.26 0.00 0.00 60.65 58.60 3ksi s ILE 130 Cb 0.21 -1.93 0.01 0.00 1.25 0.00 0.00 42.46 42.01 3ksi s ILE 130 CO 0.39 -0.68 1.07 0.42 0.24 0.00 0.00 174.94 176.37 3ksi s THR 131 N -3.28 3.52 -1.63 8.37 -4.23 -1.26 -3.08 115.64 114.05 3ksi s THR 131 Ca 0.19 0.42 -0.17 0.00 -1.18 0.00 0.00 61.69 60.95 3ksi s THR 131 Cb 0.02 -3.48 0.13 0.00 1.34 0.00 0.00 72.50 70.51 3ksi s THR 131 CO 0.02 -0.61 0.88 0.47 -0.54 0.00 0.00 174.62 174.84 3ksi n ASP 132 N -2.95 -4.01 -0.01 3.99 9.92 0.31 -4.89 116.55 118.91 3ksi n ASP 132 Ca 0.07 -0.91 -0.12 0.00 -0.53 0.00 0.00 54.79 53.30 3ksi n ASP 132 Cb 0.57 -3.27 0.01 0.00 -0.64 0.00 0.00 41.12 37.79 3ksi n ASP 132 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3ksi h ARG 133 N -1.77 0.64 -6.05 -1.24 9.65 -1.84 -3.45 114.38 110.32 3ksi h ARG 133 Ca -0.59 -0.45 -0.68 0.00 -1.10 0.00 0.00 59.98 57.17 3ksi h ARG 133 Cb 1.38 0.07 -0.15 0.00 -1.39 0.00 0.00 29.97 29.87 3ksi h ARG 133 CO 0.73 1.07 -0.64 -0.06 2.80 0.00 0.00 179.97 183.87 3ksi s PHE 134 N -3.90 3.10 0.37 2.20 0.08 -1.26 -5.07 117.98 113.49 3ksi s PHE 134 Ca -0.08 0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.11 3ksi s PHE 134 Cb 0.10 -1.75 -0.00 0.00 -0.57 0.00 0.00 43.02 40.80 3ksi s PHE 134 CO 0.86 0.44 0.04 -0.40 -0.10 0.00 0.00 175.22 176.06 3ksi n ASP 135 N 1.98 2.44 -0.07 1.36 5.68 -1.26 -4.91 116.55 121.77 3ksi n ASP 135 Ca -0.18 -2.72 0.09 0.00 -0.50 0.00 0.00 54.79 51.49 3ksi n ASP 135 Cb 0.53 0.46 0.47 0.00 -1.14 0.00 0.00 41.12 41.44 3ksi n ASP 135 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ksi h ASP 136 N 1.06 0.42 -0.31 -1.12 3.32 -2.00 -1.20 116.42 116.59 3ksi h ASP 136 Ca -0.30 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 3ksi h ASP 136 Cb 0.98 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3ksi h ASP 136 CO 0.49 0.27 -0.00 -1.13 -1.72 0.00 0.00 179.24 177.15 3ksi h ASN 137 N 0.48 0.54 -0.78 6.45 -0.73 -1.99 -0.45 115.58 119.09 3ksi h ASN 137 Ca 0.25 -0.31 0.00 0.00 1.87 0.00 0.00 56.30 58.11 3ksi h ASN 137 Cb 0.35 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.76 3ksi h ASN 137 CO -0.07 0.72 0.50 0.44 -0.37 0.00 0.00 177.43 178.65 3ksi h ASP 138 N 0.35 0.92 -0.27 1.15 3.32 -1.75 -2.09 116.42 118.05 3ksi h ASP 138 Ca 0.09 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3ksi h ASP 138 Cb 0.45 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3ksi h ASP 138 CO 0.02 0.69 0.13 0.50 -1.72 0.00 0.00 179.24 178.85 3ksi h LYS 139 N 1.07 0.26 -0.23 3.56 3.64 -0.91 0.51 116.57 124.48 3ksi h LYS 139 Ca 0.28 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3ksi h LYS 139 Cb -0.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3ksi h LYS 139 CO -0.06 0.17 0.14 1.49 -2.27 0.00 0.00 179.45 178.93 3ksi h GLU 140 N 0.27 0.31 -0.34 1.90 4.81 -0.73 -0.92 114.58 119.88 3ksi h GLU 140 Ca 0.11 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 3ksi h GLU 140 Cb 0.04 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3ksi h GLU 140 CO -0.08 0.23 -0.44 0.45 -0.73 0.00 0.00 179.01 178.44 3ksi h HIS 141 N 0.29 1.06 -0.26 0.92 3.86 -1.22 -2.21 115.15 117.58 3ksi h HIS 141 Ca 0.08 -0.34 -0.10 0.00 -1.16 0.00 0.00 60.37 58.85 3ksi h HIS 141 Cb 0.00 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 3ksi h HIS 141 CO -0.05 1.15 -0.27 -0.07 0.86 0.00 0.00 177.93 179.55 3ksi h LEU 142 N 0.70 0.52 -1.00 2.43 3.38 -0.83 -1.45 115.31 119.06 3ksi h LEU 142 Ca 0.04 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3ksi h LEU 142 Cb 1.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3ksi h LEU 142 CO 0.10 0.78 -0.26 -0.33 0.09 0.00 0.00 178.44 178.82 3ksi h GLU 143 N 0.45 0.40 -0.56 1.13 5.08 -1.07 -0.79 114.58 119.22 3ksi h GLU 143 Ca 0.06 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3ksi h GLU 143 Cb 0.70 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3ksi h GLU 143 CO 0.05 0.64 -0.06 0.00 -1.00 0.00 0.00 179.01 178.64 3ksi h ALA 144 N 1.37 0.83 -0.54 3.43 0.00 -0.90 -1.04 119.26 122.41 3ksi h ALA 144 Ca 0.05 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3ksi h ALA 144 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ksi h ALA 144 CO 0.05 0.67 -0.04 0.82 0.00 0.00 0.00 179.25 180.74 3ksi h ILE 145 N 0.92 1.26 -0.42 0.00 2.04 -0.83 -2.33 117.51 118.16 3ksi h ILE 145 Ca 0.15 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 3ksi h ILE 145 Cb 0.61 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3ksi h ILE 145 CO 0.04 0.41 0.01 0.58 0.00 0.00 0.00 178.15 179.19 3ksi h VAL 146 N 0.88 1.22 -0.53 1.67 2.07 -0.80 -1.83 116.25 118.92 3ksi h VAL 146 Ca 0.15 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3ksi h VAL 146 Cb 0.57 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3ksi h VAL 146 CO 0.03 0.31 0.27 0.50 0.02 0.00 0.00 177.57 178.70 3ksi h LYS 147 N 0.64 0.74 -0.58 1.57 3.64 -0.68 0.78 116.57 122.68 3ksi h LYS 147 Ca 0.13 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3ksi h LYS 147 Cb 0.38 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3ksi h LYS 147 CO 0.01 0.56 0.02 0.82 -2.27 0.00 0.00 179.45 178.60 3ksi h ILE 148 N 0.74 1.26 -0.30 2.00 2.04 -0.86 -1.49 117.51 120.90 3ksi h ILE 148 Ca 0.19 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 3ksi h ILE 148 Cb 0.05 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3ksi h ILE 148 CO -0.03 0.39 -0.03 0.40 0.00 0.00 0.00 178.15 178.89 3ksi h ILE 149 N 0.90 1.27 -0.81 -0.67 2.04 -0.76 -2.97 117.51 116.52 3ksi h ILE 149 Ca 0.17 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 65.09 3ksi h ILE 149 Cb 0.50 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 3ksi h ILE 149 CO 0.02 0.32 0.49 -0.33 0.00 0.00 0.00 178.15 178.66 3ksi h GLU 150 N 0.33 0.87 -0.49 2.37 5.08 -0.62 -1.59 114.58 120.54 3ksi h GLU 150 Ca 0.08 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3ksi h GLU 150 Cb 0.48 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3ksi h GLU 150 CO 0.02 0.58 0.14 0.87 -1.00 0.00 0.00 179.01 179.62 3ksi h LYS 151 N 0.90 0.72 -0.04 2.33 1.79 -1.21 0.16 116.57 121.21 3ksi h LYS 151 Ca 0.36 -0.13 -0.18 0.00 -2.18 0.00 0.00 60.65 58.52 3ksi h LYS 151 Cb 0.18 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3ksi h LYS 151 CO -0.18 0.64 -0.76 0.37 -1.08 0.00 0.00 179.45 178.44 3ksi h GLN 152 N 0.70 0.29 0.00 3.15 5.75 -1.23 -3.18 115.11 120.59 3ksi h GLN 152 Ca 0.16 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3ksi h GLN 152 Cb 0.23 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 3ksi h GLN 152 CO -0.01 0.92 -0.47 -0.07 -2.65 0.00 0.00 178.83 176.56 3ksi h LEU 153 N 0.19 0.00 0.00 -2.39 3.38 -0.96 -3.48 115.31 112.06 3ksi h LEU 153 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ksi h LEU 153 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3ksi h LEU 153 CO 0.12 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.66