#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksg s THR 3 N 0.00 4.83 -0.23 1.09 -4.23 -1.26 -5.07 115.64 110.76 3ksg s THR 3 Ca 0.00 0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 3ksg s THR 3 Cb 0.00 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3ksg s THR 3 CO 0.00 -0.73 -0.08 -0.63 -0.54 0.00 0.00 174.62 172.64 3ksg s ILE 4 N -2.62 2.82 0.08 2.99 1.01 -1.26 -4.95 121.20 119.26 3ksg s ILE 4 Ca 0.50 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 3ksg s ILE 4 Cb -0.10 -2.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.91 3ksg s ILE 4 CO 0.40 0.29 1.48 0.20 0.00 0.00 0.00 174.94 177.30 3ksg s ASN 5 N 1.34 6.75 0.48 3.58 0.01 -1.26 -4.93 114.94 120.91 3ksg s ASN 5 Ca 0.02 2.34 -0.20 0.00 -0.71 0.00 0.00 52.86 54.30 3ksg s ASN 5 Cb -0.16 -2.57 -0.12 0.00 0.41 0.00 0.00 41.25 38.81 3ksg s ASN 5 CO -0.06 -0.75 0.45 -2.65 -1.51 0.00 0.00 177.10 172.59 3ksg n PRO 6 N 4.78 0.48 -4.75 -0.60 -0.02 -1.26 -4.65 135.00 128.97 3ksg n PRO 6 Ca 0.13 0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 3ksg n PRO 6 Cb 0.42 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.24 3ksg n PRO 6 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ksg s THR 7 N -1.62 2.57 -1.29 3.45 -4.23 -1.26 -4.95 115.64 108.32 3ksg s THR 7 Ca 0.64 -0.82 -0.17 0.00 -1.18 0.00 0.00 61.69 60.16 3ksg s THR 7 Cb -0.54 -2.06 0.09 0.00 1.34 0.00 0.00 72.50 71.33 3ksg s THR 7 CO 0.58 0.53 1.70 -3.20 -0.54 0.00 0.00 174.62 173.69 3ksg n ASN 8 N 3.81 4.96 0.23 3.99 4.05 -1.26 -4.79 115.26 126.25 3ksg n ASN 8 Ca -0.19 -2.93 0.13 0.00 0.45 0.00 0.00 54.58 52.04 3ksg n ASN 8 Cb 0.52 -1.71 0.74 0.00 1.23 0.00 0.00 39.78 40.56 3ksg n ASN 8 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 177.26 176.09 3ksg h TYR 9 N 7.43 0.00 0.00 1.20 0.05 -1.96 -0.37 116.97 123.32 3ksg h TYR 9 Ca 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.21 3ksg h TYR 9 Cb 0.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.60 3ksg h TYR 9 CO 1.37 0.00 -0.00 1.15 -1.05 0.00 0.00 178.16 179.63 3ksg h THR 10 N 0.00 1.03 0.30 -2.88 2.02 -2.00 -0.89 112.91 110.48 3ksg h THR 10 Ca 0.04 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3ksg h THR 10 Cb 0.20 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3ksg h THR 10 CO -0.00 0.03 -0.14 0.25 0.37 0.00 0.00 175.52 176.03 3ksg h LEU 11 N -0.05 -0.34 -0.88 2.58 5.85 -1.78 -3.12 115.31 117.57 3ksg h LEU 11 Ca -0.00 -0.18 0.23 0.00 0.84 0.00 0.00 57.88 58.77 3ksg h LEU 11 Cb 0.05 0.09 -0.15 0.00 0.37 0.00 0.00 40.66 41.02 3ksg h LEU 11 CO 0.00 0.03 0.08 0.25 -0.34 0.00 0.00 178.44 178.46 3ksg h LEU 12 N -0.75 -0.30 -1.63 2.25 7.12 -1.04 0.71 115.31 121.67 3ksg h LEU 12 Ca -0.04 0.23 -0.04 0.00 0.13 0.00 0.00 57.88 58.15 3ksg h LEU 12 Cb 0.50 0.38 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 3ksg h LEU 12 CO 0.07 -0.24 -0.21 0.11 -0.13 0.00 0.00 178.44 178.04 3ksg h LYS 13 N 0.10 0.00 -0.02 1.25 1.57 -1.16 0.55 116.57 118.87 3ksg h LYS 13 Ca 0.52 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.24 3ksg h LYS 13 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3ksg h LYS 13 CO -0.76 0.21 -0.25 0.87 -0.57 0.00 0.00 179.45 178.95 3ksg h LYS 14 N 0.00 0.20 -0.77 3.15 6.56 0.41 -2.24 116.57 123.88 3ksg h LYS 14 Ca -0.00 -0.19 -0.02 0.00 -1.06 0.00 0.00 60.65 59.37 3ksg h LYS 14 Cb 0.41 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.08 3ksg h LYS 14 CO 0.03 0.89 0.39 1.96 -2.06 0.00 0.00 179.45 180.66 3ksg h GLN 15 N -0.43 1.09 0.92 3.15 4.20 -0.94 -0.54 115.11 122.57 3ksg h GLN 15 Ca -0.03 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 3ksg h GLN 15 Cb 0.97 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.55 3ksg h GLN 15 CO 0.05 0.83 -0.44 0.00 -0.67 0.00 0.00 178.83 178.59 3ksg h ALA 16 N 1.34 -1.33 -0.76 3.87 0.00 -0.89 1.12 119.26 122.61 3ksg h ALA 16 Ca 0.27 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3ksg h ALA 16 Cb 0.08 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3ksg h ALA 16 CO -0.04 -1.24 0.42 0.00 0.00 0.00 0.00 179.25 178.39 3ksg h ALA 17 N -1.43 1.06 -0.34 0.00 0.00 -1.36 -1.53 119.26 115.67 3ksg h ALA 17 Ca -0.13 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3ksg h ALA 17 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ksg h ALA 17 CO 0.21 0.05 -0.26 1.03 0.00 0.00 0.00 179.25 180.28 3ksg h SER 18 N 0.72 0.81 -0.78 0.00 0.87 -0.96 -2.28 113.55 111.92 3ksg h SER 18 Ca 0.36 -0.44 0.07 0.00 -1.23 0.00 0.00 61.79 60.55 3ksg h SER 18 Cb 0.33 -0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 3ksg h SER 18 CO -0.24 1.09 0.46 0.25 -0.53 0.00 0.00 176.83 177.86 3ksg h LEU 19 N 0.55 0.69 -3.59 2.23 5.85 0.21 -2.61 115.31 118.64 3ksg h LEU 19 Ca 0.06 0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 3ksg h LEU 19 Cb 0.83 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.63 3ksg h LEU 19 CO 0.07 0.43 0.18 2.30 -0.34 0.00 0.00 178.44 181.08 3ksg n ILE 20 N -4.71 2.76 -2.27 4.05 -5.35 -0.65 -4.98 119.36 108.21 3ksg n ILE 20 Ca 0.11 -1.95 -0.39 0.00 -0.27 0.00 0.00 62.75 60.25 3ksg n ILE 20 Cb 0.20 -0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 37.74 3ksg n ILE 20 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3ksg s GLU 21 N -3.05 4.20 0.00 6.28 2.12 -0.86 -3.07 118.70 124.31 3ksg s GLU 21 Ca 0.51 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.76 3ksg s GLU 21 Cb 0.42 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.98 3ksg s GLU 21 CO 0.09 -0.22 0.00 -0.25 -0.54 0.00 0.00 175.26 174.34 3ksg n ASP 22 N 0.38 -4.64 -4.62 -1.70 9.92 -1.26 -4.98 116.55 109.66 3ksg n ASP 22 Ca 0.03 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.97 3ksg n ASP 22 Cb 0.45 -2.66 -0.10 0.00 -0.64 0.00 0.00 41.12 38.18 3ksg n ASP 22 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3ksg s GLU 23 N -1.42 2.47 0.00 -1.24 0.41 -1.18 -5.01 118.70 112.74 3ksg s GLU 23 Ca 0.00 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.75 3ksg s GLU 23 Cb 0.00 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 3ksg s GLU 23 CO 0.00 0.57 0.06 0.72 -0.49 0.00 0.00 175.26 176.12 3ksg n HIS 24 N 1.13 0.00 -2.32 1.61 8.25 -1.26 -4.86 115.22 117.77 3ksg n HIS 24 Ca -0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.91 3ksg n HIS 24 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 3ksg n HIS 24 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ksg s HIS 25 N -0.22 2.21 0.20 4.41 5.04 -1.26 -4.83 115.29 120.83 3ksg s HIS 25 Ca 0.00 0.55 -0.20 0.00 -1.54 0.00 0.00 55.06 53.87 3ksg s HIS 25 Cb 0.00 -4.33 0.16 0.00 0.04 0.00 0.00 32.58 28.45 3ksg s HIS 25 CO 0.00 -2.09 1.58 1.98 -2.34 0.00 0.00 174.74 173.87 3ksg h MET 26 N 11.51 -0.12 -0.93 2.88 4.05 -1.95 -1.01 114.93 129.37 3ksg h MET 26 Ca -0.27 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.16 3ksg h MET 26 Cb 1.11 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.89 3ksg h MET 26 CO 1.15 -0.08 0.61 0.82 0.23 0.00 0.00 176.91 179.64 3ksg h ILE 27 N -0.12 1.24 -0.24 1.77 1.08 -1.98 0.27 117.51 119.53 3ksg h ILE 27 Ca 0.26 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 64.25 3ksg h ILE 27 Cb 0.56 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 3ksg h ILE 27 CO -0.75 0.24 0.07 0.00 -0.69 0.00 0.00 178.15 177.02 3ksg h ALA 28 N 1.33 0.31 -0.16 1.87 0.00 -1.73 -0.39 119.26 120.49 3ksg h ALA 28 Ca 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ksg h ALA 28 Cb -0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ksg h ALA 28 CO -0.07 -0.06 0.08 0.82 0.00 0.00 0.00 179.25 180.02 3ksg h ILE 29 N 0.21 1.11 -0.90 0.00 2.04 -0.78 -0.88 117.51 118.32 3ksg h ILE 29 Ca 0.08 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3ksg h ILE 29 Cb 0.24 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3ksg h ILE 29 CO -0.00 0.11 0.57 -0.07 0.00 0.00 0.00 178.15 178.75 3ksg h LEU 30 N 0.15 1.05 0.25 1.44 4.07 -0.39 0.14 115.31 122.02 3ksg h LEU 30 Ca 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3ksg h LEU 30 Cb 0.10 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.57 3ksg h LEU 30 CO -0.01 0.78 -0.12 0.28 -1.08 0.00 0.00 178.44 178.29 3ksg h SER 31 N 1.22 -0.29 -0.02 -0.43 0.02 -0.77 -1.74 113.55 111.54 3ksg h SER 31 Ca 0.33 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3ksg h SER 31 Cb -0.10 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3ksg h SER 31 CO -0.07 0.07 -0.08 0.78 -1.14 0.00 0.00 176.83 176.39 3ksg h ASN 32 N -0.68 0.22 -0.50 3.07 2.35 -1.06 -2.75 115.58 116.22 3ksg h ASN 32 Ca -0.03 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 3ksg h ASN 32 Cb 0.47 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3ksg h ASN 32 CO 0.06 0.33 -0.19 0.24 -1.65 0.00 0.00 177.43 176.22 3ksg h MET 33 N 0.23 1.02 0.00 0.81 2.86 -0.90 -1.41 114.93 117.54 3ksg h MET 33 Ca 0.05 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.20 3ksg h MET 33 Cb 0.29 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3ksg h MET 33 CO 0.01 1.11 -0.31 0.66 1.06 0.00 0.00 176.91 179.44 3ksg h SER 34 N 0.88 0.00 -0.08 1.22 4.64 -1.04 -1.14 113.55 118.03 3ksg h SER 34 Ca 0.12 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 3ksg h SER 34 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3ksg h SER 34 CO 0.06 0.31 -0.08 0.00 -0.87 0.00 0.00 176.83 176.26 3ksg h ALA 35 N 1.69 0.11 -0.08 5.18 0.00 -1.21 -1.64 119.26 123.31 3ksg h ALA 35 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3ksg h ALA 35 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3ksg h ALA 35 CO 0.04 -0.07 -0.03 1.25 0.00 0.00 0.00 179.25 180.45 3ksg h LEU 36 N -0.24 -0.09 -0.39 0.00 5.85 -0.94 -0.34 115.31 119.16 3ksg h LEU 36 Ca 0.01 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3ksg h LEU 36 Cb 0.59 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3ksg h LEU 36 CO 0.02 -0.04 0.13 -0.07 -0.34 0.00 0.00 178.44 178.15 3ksg h LEU 37 N -0.01 0.14 -1.23 2.25 4.07 -1.26 -1.98 115.31 117.28 3ksg h LEU 37 Ca 0.04 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.08 3ksg h LEU 37 Cb 0.07 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.80 3ksg h LEU 37 CO -0.09 0.12 0.53 -1.13 -1.08 0.00 0.00 178.44 176.79 3ksg h ASN 38 N 0.29 0.86 1.13 -0.43 -1.24 -0.65 -1.34 115.58 114.20 3ksg h ASN 38 Ca 0.18 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.18 3ksg h ASN 38 Cb 0.16 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.01 3ksg h ASN 38 CO -0.18 0.59 0.00 0.47 -1.29 0.00 0.00 177.43 177.02 3ksg n ASP 39 N -4.45 0.33 -0.05 1.15 8.00 -0.20 -3.86 116.55 117.48 3ksg n ASP 39 Ca 0.10 0.54 0.06 0.00 0.71 0.00 0.00 54.79 56.19 3ksg n ASP 39 Cb 0.11 -0.62 0.08 0.00 -0.02 0.00 0.00 41.12 40.66 3ksg n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ksg n ASN 40 N -1.81 2.13 -3.85 -2.24 3.02 -0.58 -4.97 115.26 106.97 3ksg n ASN 40 Ca 0.06 -2.59 -0.28 0.00 -0.03 0.00 0.00 54.58 51.74 3ksg n ASN 40 Cb 0.36 -0.24 -0.17 0.00 -0.61 0.00 0.00 39.78 39.12 3ksg n ASN 40 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ksg s LEU 41 N -2.02 1.45 0.41 3.41 1.43 -0.76 -4.80 118.68 117.80 3ksg s LEU 41 Ca 0.18 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 3ksg s LEU 41 Cb 0.16 -0.80 -0.07 0.00 0.03 0.00 0.00 46.19 45.50 3ksg s LEU 41 CO 0.02 -0.21 0.79 -0.62 0.23 0.00 0.00 176.35 176.55 3ksg s ASP 42 N 1.71 6.56 -0.93 2.29 2.15 -1.26 -4.46 116.67 122.72 3ksg s ASP 42 Ca 0.01 1.19 -0.03 0.00 0.43 0.00 0.00 52.55 54.14 3ksg s ASP 42 Cb -0.15 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 3ksg s ASP 42 CO -0.07 -0.40 0.80 1.67 -0.17 0.00 0.00 175.17 177.00 3ksg n GLN 43 N -1.24 -3.11 -3.77 4.34 -0.06 -1.26 -4.87 117.38 107.41 3ksg n GLN 43 Ca 0.03 0.73 -0.11 0.00 -2.00 0.00 0.00 57.00 55.65 3ksg n GLN 43 Cb 0.54 -5.24 -0.07 0.00 -4.06 0.00 0.00 30.24 21.41 3ksg n GLN 43 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3ksg s ILE 44 N -3.32 0.09 0.00 1.69 -4.36 -1.26 -4.31 121.20 109.72 3ksg s ILE 44 Ca 0.26 -0.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.95 3ksg s ILE 44 Cb -0.03 -0.93 0.00 0.00 1.25 0.00 0.00 42.46 42.75 3ksg s ILE 44 CO 0.62 -0.39 0.07 -0.46 0.24 0.00 0.00 174.94 175.02 3ksg n ASN 45 N 0.61 0.13 -3.69 4.36 0.23 -0.08 -4.75 115.26 112.07 3ksg n ASN 45 Ca -0.19 -0.53 -0.13 0.00 -0.53 0.00 0.00 54.58 53.21 3ksg n ASN 45 Cb 0.59 0.75 -0.09 0.00 -2.08 0.00 0.00 39.78 38.95 3ksg n ASN 45 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 3ksg s TRP 46 N -0.75 -0.60 -0.16 -2.53 -0.00 -1.21 -4.56 118.94 109.13 3ksg s TRP 46 Ca 0.00 1.42 -0.07 0.00 -0.00 0.00 0.00 56.10 57.45 3ksg s TRP 46 Cb 0.00 0.22 0.07 0.00 -0.00 0.00 0.00 33.47 33.76 3ksg s TRP 46 CO 0.00 -0.29 0.35 0.54 -0.00 0.00 0.00 176.95 177.55 3ksg s VAL 47 N 0.45 -0.29 0.00 5.86 0.11 -0.97 -0.84 120.40 124.71 3ksg s VAL 47 Ca -0.01 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 3ksg s VAL 47 Cb -0.04 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 3ksg s VAL 47 CO -0.02 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 3ksg n GLY 48 N 4.82 0.87 3.20 6.54 0.00 -1.02 -0.40 105.19 119.19 3ksg n GLY 48 Ca -0.16 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 3ksg n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksg s PHE 49 N -3.17 1.18 0.01 1.61 0.08 -0.25 -1.09 117.98 116.34 3ksg s PHE 49 Ca 0.00 -0.60 0.06 0.00 0.12 0.00 0.00 56.93 56.51 3ksg s PHE 49 Cb 0.00 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.80 3ksg s PHE 49 CO 0.00 0.05 -0.19 0.71 -0.10 0.00 0.00 175.22 175.69 3ksg s TYR 50 N -2.24 1.72 -0.12 0.36 1.51 -0.85 -0.10 117.35 117.63 3ksg s TYR 50 Ca 0.06 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.73 3ksg s TYR 50 Cb -0.04 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 3ksg s TYR 50 CO 0.01 0.01 0.04 -0.51 -1.11 0.00 0.00 175.55 174.00 3ksg s LEU 51 N -0.73 3.77 -0.43 -1.29 1.43 0.10 -1.50 118.68 120.03 3ksg s LEU 51 Ca 0.07 0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 3ksg s LEU 51 Cb -0.08 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.27 3ksg s LEU 51 CO 0.00 0.32 1.05 -0.22 0.23 0.00 0.00 176.35 177.73 3ksg s LEU 52 N -0.50 3.81 -0.04 1.79 1.98 -0.31 -0.20 118.68 125.22 3ksg s LEU 52 Ca 0.10 0.52 -0.02 0.00 -2.89 0.00 0.00 54.13 51.84 3ksg s LEU 52 Cb -0.12 -3.43 0.03 0.00 0.66 0.00 0.00 46.19 43.33 3ksg s LEU 52 CO 0.02 -1.09 0.08 -1.61 -1.89 0.00 0.00 176.35 171.87 3ksg s GLU 53 N 4.03 -0.01 -1.19 1.98 2.02 0.85 -4.85 118.70 121.54 3ksg s GLU 53 Ca 0.44 0.33 -0.16 0.00 0.02 0.00 0.00 54.97 55.59 3ksg s GLU 53 Cb -0.09 -0.29 -0.01 0.00 0.10 0.00 0.00 34.13 33.84 3ksg s GLU 53 CO 0.26 -0.22 0.73 1.04 0.02 0.00 0.00 175.26 177.09 3ksg n GLN 54 N 4.59 -1.77 -2.98 1.61 1.13 -1.26 -2.52 117.38 116.18 3ksg n GLN 54 Ca -0.19 0.46 -0.20 0.00 -1.94 0.00 0.00 57.00 55.13 3ksg n GLN 54 Cb 0.50 -4.26 0.04 0.00 0.11 0.00 0.00 30.24 26.63 3ksg n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3ksg n ASN 55 N -2.75 -5.74 -3.56 1.08 5.15 -1.26 -4.99 115.26 103.20 3ksg n ASN 55 Ca -0.14 -0.28 -0.06 0.00 -0.60 0.00 0.00 54.58 53.50 3ksg n ASN 55 Cb 0.61 -4.55 -0.02 0.00 -0.53 0.00 0.00 39.78 35.29 3ksg n ASN 55 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3ksg s GLU 56 N -5.63 0.52 -0.16 1.20 -1.05 -1.05 -4.34 118.70 108.19 3ksg s GLU 56 Ca 0.29 -0.18 -0.20 0.00 -0.15 0.00 0.00 54.97 54.73 3ksg s GLU 56 Cb -0.13 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.77 3ksg s GLU 56 CO 0.36 -0.22 0.59 -0.51 0.95 0.00 0.00 175.26 176.43 3ksg s LEU 57 N -2.24 4.19 -0.08 1.83 1.43 -0.36 -0.10 118.68 123.35 3ksg s LEU 57 Ca 0.07 0.85 0.05 0.00 -1.03 0.00 0.00 54.13 54.07 3ksg s LEU 57 Cb -0.01 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.36 3ksg s LEU 57 CO -0.06 -0.18 -0.23 -0.63 0.23 0.00 0.00 176.35 175.48 3ksg s ILE 58 N 1.45 1.96 0.15 -0.59 1.01 0.72 -0.97 121.20 124.94 3ksg s ILE 58 Ca 0.29 -0.98 -0.32 0.00 0.00 0.00 0.00 60.65 59.63 3ksg s ILE 58 Cb -0.16 -1.69 -0.17 0.00 0.01 0.00 0.00 42.46 40.46 3ksg s ILE 58 CO 0.11 0.54 0.91 -0.11 0.00 0.00 0.00 174.94 176.40 3ksg n LEU 59 N 3.31 0.27 0.00 2.97 7.94 0.41 0.01 117.00 131.92 3ksg n LEU 59 Ca -0.19 1.15 -0.01 0.00 -1.11 0.00 0.00 56.01 55.85 3ksg n LEU 59 Cb 0.53 -1.07 -0.00 0.00 0.53 0.00 0.00 43.42 43.41 3ksg n LEU 59 CO 0.27 -2.01 -0.01 0.61 -1.11 0.00 0.00 177.39 175.14 3ksg n GLY 60 N 1.82 4.12 3.62 -3.96 0.00 0.86 -4.68 105.19 106.96 3ksg n GLY 60 Ca 0.17 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 3ksg n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksg n PRO 61 N -0.05 1.52 -3.80 1.61 -0.02 -1.26 -4.41 135.00 128.59 3ksg n PRO 61 Ca -0.01 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 61.96 3ksg n PRO 61 Cb 0.03 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 3ksg n PRO 61 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ksg s PHE 62 N -1.11 -0.08 -0.12 6.00 -0.12 -1.26 -1.09 117.98 120.20 3ksg s PHE 62 Ca 0.59 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 57.17 3ksg s PHE 62 Cb -0.65 0.69 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3ksg s PHE 62 CO 0.60 -1.02 -0.16 -0.65 -0.05 0.00 0.00 175.22 173.94 3ksg s GLN 63 N -3.14 2.38 0.00 1.99 -1.52 0.46 -4.97 119.66 114.85 3ksg s GLN 63 Ca 0.14 -0.62 0.00 0.00 -1.95 0.00 0.00 55.36 52.93 3ksg s GLN 63 Cb -0.03 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.75 3ksg s GLN 63 CO 0.05 -0.07 0.00 0.41 -0.25 0.00 0.00 175.29 175.43 3ksg n GLY 64 N 4.22 0.66 3.89 3.09 0.00 -1.26 -2.30 105.19 113.48 3ksg n GLY 64 Ca -0.19 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 3ksg n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ksg s HIS 65 N -2.53 3.01 0.38 1.61 3.76 -1.26 -4.99 115.29 115.26 3ksg s HIS 65 Ca 0.00 0.83 -0.27 0.00 -0.15 0.00 0.00 55.06 55.47 3ksg s HIS 65 Cb 0.00 -3.39 -0.11 0.00 1.11 0.00 0.00 32.58 30.18 3ksg s HIS 65 CO 0.00 -1.67 1.30 -2.30 -0.85 0.00 0.00 174.74 171.21 3ksg n PRO 66 N -3.27 2.10 -4.46 8.40 -0.02 -1.26 -5.01 135.00 131.47 3ksg n PRO 66 Ca 0.08 0.74 -0.22 0.00 -2.02 0.00 0.00 63.50 62.07 3ksg n PRO 66 Cb 0.60 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 3ksg n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksg s ALA 67 N -1.14 2.50 0.44 3.55 0.00 -1.26 -5.12 121.76 120.74 3ksg s ALA 67 Ca 0.57 -1.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.31 3ksg s ALA 67 Cb -0.54 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 3ksg s ALA 67 CO 0.61 -0.05 1.45 -1.12 0.00 0.00 0.00 175.76 176.64 3ksg s SER 68 N -3.49 5.96 -0.15 0.00 0.01 -1.26 -4.97 113.70 109.80 3ksg s SER 68 Ca 0.31 2.97 -0.27 0.00 1.31 0.00 0.00 55.95 60.27 3ksg s SER 68 Cb 0.04 -2.66 -0.25 0.00 0.21 0.00 0.00 66.02 63.36 3ksg s SER 68 CO 0.13 -1.13 0.65 0.58 0.41 0.00 0.00 173.24 173.89 3ksg h VAL 69 N 2.45 1.58 -3.27 3.43 2.07 -1.99 -3.42 116.25 117.12 3ksg h VAL 69 Ca -0.51 -2.32 -0.67 0.00 0.82 0.00 0.00 66.70 64.01 3ksg h VAL 69 Cb 1.26 3.13 -0.14 0.00 -1.52 0.00 0.00 31.29 34.02 3ksg h VAL 69 CO 0.62 0.55 -0.61 -1.00 0.02 0.00 0.00 177.57 177.15 3ksg s HIS 70 N -2.27 3.18 -0.19 1.57 3.76 -1.26 -0.44 115.29 119.64 3ksg s HIS 70 Ca -0.21 0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 54.84 3ksg s HIS 70 Cb -0.01 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 32.00 3ksg s HIS 70 CO 0.68 0.49 0.14 0.42 -0.85 0.00 0.00 174.74 175.62 3ksg s ILE 71 N -0.98 -0.18 0.60 0.60 1.01 -0.14 -5.01 121.20 117.09 3ksg s ILE 71 Ca 0.16 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 3ksg s ILE 71 Cb -0.11 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 3ksg s ILE 71 CO 0.06 -0.27 1.16 -2.16 0.00 0.00 0.00 174.94 173.74 3ksg s PRO 72 N 2.21 3.01 0.58 2.79 0.04 -1.26 -1.22 135.00 141.15 3ksg s PRO 72 Ca 0.04 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 3ksg s PRO 72 Cb -0.16 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3ksg s PRO 72 CO -0.11 -1.14 1.17 -0.89 0.04 0.00 0.00 177.00 176.06 3ksg n ILE 73 N -1.72 3.89 -0.76 0.56 2.08 -1.26 -1.72 119.36 120.43 3ksg n ILE 73 Ca 0.12 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.93 3ksg n ILE 73 Cb 0.50 -1.39 0.00 0.00 -0.75 0.00 0.00 39.64 38.01 3ksg n ILE 73 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3ksg n GLY 74 N 1.03 0.92 3.46 7.39 0.00 0.31 -4.91 105.19 113.39 3ksg n GLY 74 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3ksg n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ksg s LYS 75 N -0.23 3.20 1.88 1.61 2.20 -0.70 -4.41 119.74 123.30 3ksg s LYS 75 Ca 0.00 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 3ksg s LYS 75 Cb 0.00 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 3ksg s LYS 75 CO 0.00 0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.77 3ksg n GLY 76 N 3.08 -1.21 0.18 5.54 0.00 -1.26 -0.79 105.19 110.73 3ksg n GLY 76 Ca -0.18 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 3ksg n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ksg h VAL 77 N 0.00 1.30 -0.09 1.61 2.07 -1.99 -2.95 116.25 116.20 3ksg h VAL 77 Ca 0.00 -2.33 -0.03 0.00 0.82 0.00 0.00 66.70 65.16 3ksg h VAL 77 Cb 0.00 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3ksg h VAL 77 CO 0.00 0.71 -0.07 0.00 0.02 0.00 0.00 177.57 178.22 3ksg h GLY 79 N -0.18 0.66 1.63 0.00 0.00 -1.09 -2.27 103.07 101.80 3ksg h GLY 79 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 3ksg h GLY 79 CO 0.02 0.30 -0.28 -0.84 0.00 0.00 0.00 176.54 175.74 3ksg h THR 80 N 0.61 1.27 -0.24 4.70 2.02 -1.48 0.12 112.91 119.91 3ksg h THR 80 Ca 0.15 -1.30 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 3ksg h THR 80 Cb 0.12 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3ksg h THR 80 CO -0.02 0.41 -0.04 0.00 0.37 0.00 0.00 175.52 176.24 3ksg h ALA 81 N 1.33 1.48 0.00 6.16 0.00 -1.09 -0.28 119.26 126.86 3ksg h ALA 81 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3ksg h ALA 81 Cb 0.69 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ksg h ALA 81 CO 0.05 0.37 -0.06 -0.24 0.00 0.00 0.00 179.25 179.37 3ksg h VAL 82 N 0.36 1.75 -0.43 0.00 3.04 -1.34 0.40 116.25 120.02 3ksg h VAL 82 Ca 0.08 -2.33 0.10 0.00 -1.01 0.00 0.00 66.70 63.53 3ksg h VAL 82 Cb 0.31 3.32 -0.02 0.00 -2.01 0.00 0.00 31.29 32.89 3ksg h VAL 82 CO 0.01 0.59 0.30 0.77 -1.01 0.00 0.00 177.57 178.23 3ksg h SER 83 N -1.00 0.14 -0.01 3.17 4.64 -1.16 -0.23 113.55 119.10 3ksg h SER 83 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ksg h SER 83 Cb 1.01 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3ksg h SER 83 CO -0.01 0.08 -0.63 -0.62 -0.87 0.00 0.00 176.83 174.78 3ksg n GLU 84 N -4.45 1.18 -4.20 4.77 1.02 -0.12 -5.01 120.64 113.83 3ksg n GLU 84 Ca 0.07 -0.48 -0.38 0.00 -0.02 0.00 0.00 57.16 56.34 3ksg n GLU 84 Cb 0.39 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 3ksg n GLU 84 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3ksg n ARG 85 N -0.71 -0.66 -3.60 3.49 1.85 0.13 -4.96 116.66 112.21 3ksg n ARG 85 Ca 0.06 0.09 -0.16 0.00 -1.00 0.00 0.00 57.85 56.83 3ksg n ARG 85 Cb 0.35 -3.10 -0.07 0.00 -1.05 0.00 0.00 32.46 28.59 3ksg n ARG 85 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3ksg s ARG 86 N -7.41 0.94 0.44 2.89 1.70 -0.88 -5.02 118.95 111.60 3ksg s ARG 86 Ca 0.23 0.10 -0.25 0.00 -0.47 0.00 0.00 55.73 55.34 3ksg s ARG 86 Cb -0.13 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 3ksg s ARG 86 CO 0.99 -0.29 1.20 2.41 -1.08 0.00 0.00 175.30 178.53 3ksg n THR 87 N 0.99 2.66 -4.08 4.99 -1.04 -1.26 -4.56 114.28 111.98 3ksg n THR 87 Ca -0.20 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 60.99 3ksg n THR 87 Cb 0.57 -1.46 -0.16 0.00 -1.82 0.00 0.00 70.33 67.46 3ksg n THR 87 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ksg s GLN 88 N -2.23 2.68 -0.19 -2.82 -1.52 0.34 -4.99 119.66 110.93 3ksg s GLN 88 Ca 0.63 -0.86 -0.01 0.00 -1.95 0.00 0.00 55.36 53.17 3ksg s GLN 88 Cb -0.51 -2.53 0.01 0.00 -0.22 0.00 0.00 33.01 29.76 3ksg s GLN 88 CO 0.57 -0.29 -0.14 0.08 -0.25 0.00 0.00 175.29 175.26 3ksg s VAL 89 N 1.31 2.61 -0.25 1.09 1.01 -1.26 -0.76 120.40 124.15 3ksg s VAL 89 Ca 0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3ksg s VAL 89 Cb -0.14 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3ksg s VAL 89 CO -0.11 0.50 -0.07 -0.69 0.00 0.00 0.00 175.10 174.73 3ksg s VAL 90 N 1.25 2.80 0.25 2.92 1.01 -0.66 -4.99 120.40 122.97 3ksg s VAL 90 Ca 0.03 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.97 3ksg s VAL 90 Cb -0.14 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 3ksg s VAL 90 CO -0.07 0.20 1.61 0.00 0.00 0.00 0.00 175.10 176.84 3ksg h ALA 91 N 7.99 0.92 -2.49 5.51 0.00 -1.89 -2.27 119.26 127.03 3ksg h ALA 91 Ca -0.32 -0.45 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 3ksg h ALA 91 Cb 1.10 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 18.42 3ksg h ALA 91 CO 0.57 0.64 -0.88 0.34 0.00 0.00 0.00 179.25 179.93 3ksg s ASP 92 N -6.88 2.44 0.57 0.00 3.68 -1.25 -0.80 116.67 114.43 3ksg s ASP 92 Ca -0.06 -2.39 0.38 0.00 2.13 0.00 0.00 52.55 52.61 3ksg s ASP 92 Cb 0.13 -0.35 1.48 0.00 -1.45 0.00 0.00 42.92 42.72 3ksg s ASP 92 CO 0.80 -0.27 1.65 0.58 0.13 0.00 0.00 175.17 178.06 3ksg h VAL 93 N 4.92 0.20 0.89 1.11 2.07 -0.01 -2.55 116.25 122.87 3ksg h VAL 93 Ca 0.12 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3ksg h VAL 93 Cb 0.96 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3ksg h VAL 93 CO 0.28 0.00 -0.43 0.45 0.02 0.00 0.00 177.57 177.90 3ksg h HIS 94 N 0.00 -1.10 0.00 1.57 3.86 -1.86 -2.46 115.15 115.16 3ksg h HIS 94 Ca 0.61 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.80 3ksg h HIS 94 Cb 2.70 0.36 0.00 0.00 1.06 0.00 0.00 27.41 31.54 3ksg h HIS 94 CO 0.00 -0.69 0.06 0.00 0.86 0.00 0.00 177.93 178.17 3ksg n GLN 95 N -5.21 0.00 -3.23 2.45 10.64 -0.96 -4.50 117.38 116.56 3ksg n GLN 95 Ca -0.15 0.34 -0.39 0.00 -1.83 0.00 0.00 57.00 54.98 3ksg n GLN 95 Cb 0.47 -1.56 -0.06 0.00 -0.86 0.00 0.00 30.24 28.23 3ksg n GLN 95 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 3ksg s PHE 96 N -2.66 3.79 0.00 2.61 5.36 -0.93 -4.93 117.98 121.22 3ksg s PHE 96 Ca 0.00 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 3ksg s PHE 96 Cb 0.00 -2.54 0.00 0.00 -0.34 0.00 0.00 43.02 40.14 3ksg s PHE 96 CO 0.00 0.53 0.00 1.63 -1.46 0.00 0.00 175.22 175.92 3ksg n LYS 97 N 1.94 0.00 -3.62 10.12 5.02 -1.26 -4.65 118.16 125.70 3ksg n LYS 97 Ca -0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.95 3ksg n LYS 97 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.49 3ksg n LYS 97 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3ksg s GLY 98 N -0.14 1.55 -0.86 0.72 0.00 -1.26 -5.03 107.32 102.30 3ksg s GLY 98 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3ksg s GLY 98 CO 0.00 -0.86 1.66 1.42 0.00 0.00 0.00 173.10 175.32 3ksg n HIS 99 N -1.16 3.10 -0.43 1.90 8.25 -1.26 -4.93 115.22 120.70 3ksg n HIS 99 Ca -0.05 -2.81 0.00 0.00 -0.26 0.00 0.00 57.72 54.60 3ksg n HIS 99 Cb 0.55 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.68 3ksg n HIS 99 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3ksg n ILE 100 N -0.23 0.00 0.22 1.59 -5.35 -1.26 -4.83 119.36 109.50 3ksg n ILE 100 Ca 0.45 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.93 3ksg n ILE 100 Cb 0.31 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 3ksg n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ksg n ALA 101 N -3.00 1.61 1.14 -1.28 0.00 -1.26 -2.16 120.51 115.56 3ksg n ALA 101 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3ksg n ALA 101 Cb 0.00 -1.00 0.20 0.00 0.00 0.00 0.00 19.45 18.65 3ksg n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ksg n ASP 103 N 0.08 1.64 0.00 0.00 5.68 -0.92 -4.62 116.55 118.41 3ksg n ASP 103 Ca 0.12 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 3ksg n ASP 103 Cb 0.44 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 3ksg n ASP 103 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksg n ALA 104 N 0.14 0.00 1.82 2.12 0.00 -1.26 -4.53 120.51 118.80 3ksg n ALA 104 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 3ksg n ALA 104 Cb 0.34 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.11 3ksg n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ksg n ASN 105 N 0.00 0.00 -4.56 0.00 4.13 -1.26 -4.73 115.26 108.84 3ksg n ASN 105 Ca 0.00 -1.49 -0.41 0.00 1.68 0.00 0.00 54.58 54.37 3ksg n ASN 105 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 3ksg n ASN 105 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3ksg s SER 106 N -1.42 6.27 -0.10 6.41 1.04 -1.26 -2.81 113.70 121.83 3ksg s SER 106 Ca 0.16 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.56 3ksg s SER 106 Cb 0.07 -2.24 -0.06 0.00 0.10 0.00 0.00 66.02 63.89 3ksg s SER 106 CO 0.12 -0.39 -0.09 0.29 0.98 0.00 0.00 173.24 174.15 3ksg n LYS 107 N 5.57 0.24 -4.29 4.02 4.76 0.36 -4.75 118.16 124.07 3ksg n LYS 107 Ca -0.07 0.06 -0.15 0.00 -2.87 0.00 0.00 58.31 55.28 3ksg n LYS 107 Cb 0.49 -1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 32.43 3ksg n LYS 107 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ksg s SER 108 N -5.08 1.24 0.04 4.39 1.04 -1.17 0.63 113.70 114.79 3ksg s SER 108 Ca -0.13 -1.30 -0.27 0.00 0.48 0.00 0.00 55.95 54.73 3ksg s SER 108 Cb 0.04 0.14 0.09 0.00 0.10 0.00 0.00 66.02 66.38 3ksg s SER 108 CO 0.22 -0.66 0.74 -0.70 0.98 0.00 0.00 173.24 173.82 3ksg s GLU 109 N -3.98 1.03 -0.03 4.02 2.12 -0.86 -1.91 118.70 119.10 3ksg s GLU 109 Ca 0.32 -0.23 -0.00 0.00 0.36 0.00 0.00 54.97 55.42 3ksg s GLU 109 Cb 0.07 0.48 0.03 0.00 0.26 0.00 0.00 34.13 34.97 3ksg s GLU 109 CO 0.10 -0.42 0.02 -1.50 -0.54 0.00 0.00 175.26 172.92 3ksg s ILE 110 N -2.85 0.06 -0.08 -3.70 2.07 -0.33 -1.65 121.20 114.72 3ksg s ILE 110 Ca -0.00 0.18 0.04 0.00 -1.41 0.00 0.00 60.65 59.46 3ksg s ILE 110 Cb -0.01 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.39 3ksg s ILE 110 CO -0.06 0.13 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.21 3ksg s VAL 111 N 1.25 1.73 -0.18 4.00 1.01 0.06 -1.44 120.40 126.84 3ksg s VAL 111 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3ksg s VAL 111 Cb -0.13 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.78 3ksg s VAL 111 CO -0.03 0.49 -0.07 -0.69 0.00 0.00 0.00 175.10 174.80 3ksg s VAL 112 N 0.32 1.32 0.36 2.92 1.01 0.20 -0.50 120.40 126.03 3ksg s VAL 112 Ca -0.14 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 3ksg s VAL 112 Cb -0.16 -1.44 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 3ksg s VAL 112 CO 0.06 0.16 1.38 -2.16 0.00 0.00 0.00 175.10 174.54 3ksg s PRO 113 N 1.54 4.21 -0.26 2.72 0.04 -1.26 0.06 135.00 142.06 3ksg s PRO 113 Ca 0.00 2.36 -0.08 0.00 0.04 0.00 0.00 61.00 63.32 3ksg s PRO 113 Cb -0.15 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3ksg s PRO 113 CO -0.08 -0.36 0.10 0.42 0.04 0.00 0.00 177.00 177.12 3ksg s ILE 114 N -1.14 4.56 0.05 0.56 -1.09 0.14 -4.87 121.20 119.40 3ksg s ILE 114 Ca 0.51 -0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.86 3ksg s ILE 114 Cb -0.42 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3ksg s ILE 114 CO 0.57 0.32 0.08 -0.36 -1.23 0.00 0.00 174.94 174.31 3ksg s PHE 115 N 1.65 3.23 -0.10 3.97 0.40 -1.26 0.19 117.98 126.06 3ksg s PHE 115 Ca 0.07 0.13 -0.03 0.00 -0.60 0.00 0.00 56.93 56.50 3ksg s PHE 115 Cb -0.15 -1.67 0.04 0.00 0.51 0.00 0.00 43.02 41.75 3ksg s PHE 115 CO 0.05 0.53 0.05 0.21 0.70 0.00 0.00 175.22 176.76 3ksg s LYS 116 N -2.12 0.22 -1.29 0.44 2.20 0.19 -4.83 119.74 114.55 3ksg s LYS 116 Ca 0.27 0.11 -0.23 0.00 -0.36 0.00 0.00 55.97 55.75 3ksg s LYS 116 Cb -0.12 -1.13 0.03 0.00 -1.51 0.00 0.00 37.83 35.10 3ksg s LYS 116 CO 0.19 -0.44 0.53 -0.25 -0.36 0.00 0.00 175.35 175.02 3ksg n ASP 117 N 5.22 -2.91 0.00 1.43 8.00 -1.26 -1.05 116.55 125.99 3ksg n ASP 117 Ca -0.06 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.20 3ksg n ASP 117 Cb 0.49 -1.95 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 3ksg n ASP 117 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ksg n ASP 118 N -2.43 0.00 -4.29 -2.24 9.92 -1.26 -5.02 116.55 111.24 3ksg n ASP 118 Ca -0.17 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 53.87 3ksg n ASP 118 Cb 0.60 -0.20 -0.12 0.00 -0.64 0.00 0.00 41.12 40.76 3ksg n ASP 118 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3ksg s LYS 119 N -0.08 1.14 -0.15 -1.24 2.47 -0.22 -5.12 119.74 116.54 3ksg s LYS 119 Ca 0.00 -1.22 -0.25 0.00 -1.56 0.00 0.00 55.97 52.93 3ksg s LYS 119 Cb 0.00 -1.29 -0.02 0.00 -1.46 0.00 0.00 37.83 35.06 3ksg s LYS 119 CO 0.00 0.28 0.82 0.42 0.16 0.00 0.00 175.35 177.04 3ksg s ILE 120 N -1.50 4.90 -0.94 5.43 1.01 -1.26 0.55 121.20 129.38 3ksg s ILE 120 Ca 0.09 1.63 0.17 0.00 0.00 0.00 0.00 60.65 62.53 3ksg s ILE 120 Cb -0.08 -4.13 -0.15 0.00 0.01 0.00 0.00 42.46 38.10 3ksg s ILE 120 CO 0.05 0.05 0.75 2.30 0.00 0.00 0.00 174.94 178.09 3ksg n ILE 121 N 4.61 0.00 -3.61 2.92 -5.35 0.13 -4.78 119.36 113.29 3ksg n ILE 121 Ca 0.04 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3ksg n ILE 121 Cb 0.49 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 3ksg n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksg n GLY 122 N 1.36 -0.71 3.29 3.28 0.00 -1.20 -1.16 105.19 110.06 3ksg n GLY 122 Ca 0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 3ksg n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksg s VAL 123 N -3.00 0.04 -0.06 1.61 -7.23 -0.56 0.28 120.40 111.47 3ksg s VAL 123 Ca 0.00 -0.34 -0.11 0.00 -1.81 0.00 0.00 61.98 59.71 3ksg s VAL 123 Cb 0.00 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.23 3ksg s VAL 123 CO 0.00 -0.19 0.29 -0.22 -0.31 0.00 0.00 175.10 174.67 3ksg s LEU 124 N -1.12 4.42 -0.06 1.32 2.96 0.11 -2.01 118.68 124.31 3ksg s LEU 124 Ca -0.12 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 3ksg s LEU 124 Cb -0.04 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.32 3ksg s LEU 124 CO 0.05 0.35 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.73 3ksg s ASP 125 N -0.96 1.43 -0.05 3.68 2.15 -0.25 0.62 116.67 123.29 3ksg s ASP 125 Ca 0.19 -0.21 -0.01 0.00 0.43 0.00 0.00 52.55 52.96 3ksg s ASP 125 Cb -0.14 -0.64 0.03 0.00 -0.30 0.00 0.00 42.92 41.87 3ksg s ASP 125 CO 0.09 -0.03 0.01 -0.63 -0.17 0.00 0.00 175.17 174.44 3ksg s ILE 126 N 0.94 0.22 0.12 4.11 1.01 -0.52 -2.44 121.20 124.63 3ksg s ILE 126 Ca -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 3ksg s ILE 126 Cb -0.15 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 3ksg s ILE 126 CO 0.01 0.20 0.29 -1.81 0.00 0.00 0.00 174.94 173.63 3ksg s ASP 127 N 1.60 6.40 -0.01 3.58 1.11 -0.02 -1.18 116.67 128.14 3ksg s ASP 127 Ca -0.01 0.36 0.02 0.00 0.18 0.00 0.00 52.55 53.10 3ksg s ASP 127 Cb -0.13 -2.00 -0.01 0.00 1.07 0.00 0.00 42.92 41.86 3ksg s ASP 127 CO -0.03 0.09 -0.07 0.00 1.18 0.00 0.00 175.17 176.34 3ksg s ALA 128 N -1.64 0.58 -1.94 5.23 0.00 -0.80 -0.90 121.76 122.28 3ksg s ALA 128 Ca 0.37 -0.30 0.25 0.00 0.00 0.00 0.00 51.96 52.28 3ksg s ALA 128 Cb -0.12 -0.15 1.49 0.00 0.00 0.00 0.00 23.12 24.34 3ksg s ALA 128 CO 0.27 0.14 1.87 -0.35 0.00 0.00 0.00 175.76 177.69 3ksg n PRO 129 N 2.91 0.75 -4.34 0.00 -0.04 -1.12 -0.49 135.00 132.67 3ksg n PRO 129 Ca -0.13 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 3ksg n PRO 129 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 3ksg n PRO 129 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3ksg s ILE 130 N -2.06 1.49 0.38 0.52 -4.36 -1.26 -4.62 121.20 111.30 3ksg s ILE 130 Ca 0.37 -2.14 -0.15 0.00 -0.26 0.00 0.00 60.65 58.47 3ksg s ILE 130 Cb 0.17 -2.13 -0.08 0.00 1.25 0.00 0.00 42.46 41.67 3ksg s ILE 130 CO 0.30 -0.53 0.79 0.42 0.24 0.00 0.00 174.94 176.17 3ksg s THR 131 N -3.12 4.66 -1.77 8.37 -4.23 -1.26 -3.04 115.64 115.25 3ksg s THR 131 Ca 0.24 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3ksg s THR 131 Cb 0.02 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.21 3ksg s THR 131 CO 0.07 -0.34 0.00 -0.67 -0.54 0.00 0.00 174.62 173.14 3ksg n ASP 132 N -0.76 -5.74 -0.07 3.99 2.03 0.02 -4.90 116.55 111.11 3ksg n ASP 132 Ca 0.04 0.03 0.09 0.00 0.52 0.00 0.00 54.79 55.46 3ksg n ASP 132 Cb 0.54 -4.78 0.46 0.00 -0.72 0.00 0.00 41.12 36.61 3ksg n ASP 132 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3ksg h ARG 133 N 0.00 0.49 -4.91 -0.67 9.65 -1.83 -3.41 114.38 113.70 3ksg h ARG 133 Ca -0.47 -0.03 -0.67 0.00 -1.10 0.00 0.00 59.98 57.70 3ksg h ARG 133 Cb 1.35 -0.11 -0.31 0.00 -1.39 0.00 0.00 29.97 29.51 3ksg h ARG 133 CO 0.57 0.32 -0.74 -0.06 2.80 0.00 0.00 179.97 182.87 3ksg s PHE 134 N -5.46 3.06 0.49 2.20 0.08 -1.26 -5.03 117.98 112.05 3ksg s PHE 134 Ca -0.08 -1.48 0.07 0.00 0.12 0.00 0.00 56.93 55.56 3ksg s PHE 134 Cb 0.19 -2.07 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 3ksg s PHE 134 CO 0.75 -0.71 0.67 0.16 -0.10 0.00 0.00 175.22 175.99 3ksg s ASP 135 N 1.35 5.41 0.48 1.36 1.47 -1.26 -4.90 116.67 120.58 3ksg s ASP 135 Ca 0.01 -0.44 0.32 0.00 1.18 0.00 0.00 52.55 53.61 3ksg s ASP 135 Cb -0.16 -0.45 1.42 0.00 -0.34 0.00 0.00 42.92 43.39 3ksg s ASP 135 CO -0.04 -1.00 1.72 0.44 0.68 0.00 0.00 175.17 176.97 3ksg h ASP 136 N 0.39 0.18 -0.23 2.11 5.19 -2.00 0.15 116.42 122.21 3ksg h ASP 136 Ca -0.38 0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.02 3ksg h ASP 136 Cb 1.28 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 3ksg h ASP 136 CO 0.45 -0.02 -0.13 -1.13 -3.12 0.00 0.00 179.24 175.28 3ksg h ASN 137 N 0.13 0.52 -0.27 6.45 -0.00 -2.00 -2.38 115.58 118.03 3ksg h ASN 137 Ca 0.69 -0.42 0.02 0.00 -0.00 0.00 0.00 56.30 56.59 3ksg h ASN 137 Cb 2.34 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 40.49 3ksg h ASN 137 CO -0.19 0.83 0.12 0.44 -0.00 0.00 0.00 177.43 178.63 3ksg h ASP 138 N 0.21 0.17 0.21 1.15 3.32 -1.08 -2.58 116.42 117.81 3ksg h ASP 138 Ca 0.05 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3ksg h ASP 138 Cb 0.64 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3ksg h ASP 138 CO 0.04 0.13 -0.35 0.50 -1.72 0.00 0.00 179.24 177.84 3ksg h LYS 139 N 0.26 -0.61 -0.42 3.56 3.64 -1.39 0.85 116.57 122.45 3ksg h LYS 139 Ca 0.11 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3ksg h LYS 139 Cb 0.05 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3ksg h LYS 139 CO -0.09 -0.41 0.03 0.93 -2.27 0.00 0.00 179.45 177.64 3ksg h GLU 140 N -0.63 0.14 -0.22 1.90 5.08 -1.33 0.62 114.58 120.13 3ksg h GLU 140 Ca 0.01 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3ksg h GLU 140 Cb 0.62 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3ksg h GLU 140 CO -0.15 0.09 -0.34 0.45 -1.00 0.00 0.00 179.01 178.07 3ksg h HIS 141 N 0.14 0.55 -0.34 4.33 3.86 -1.36 0.39 115.15 122.73 3ksg h HIS 141 Ca 0.21 -0.14 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 3ksg h HIS 141 Cb 0.29 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 3ksg h HIS 141 CO -0.25 0.76 -0.27 -0.07 0.86 0.00 0.00 177.93 178.95 3ksg h LEU 142 N 0.41 0.71 -0.95 2.43 3.38 0.33 0.11 115.31 121.73 3ksg h LEU 142 Ca 0.05 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 3ksg h LEU 142 Cb 0.79 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3ksg h LEU 142 CO 0.06 0.95 -0.32 -0.33 0.09 0.00 0.00 178.44 178.90 3ksg h GLU 143 N 0.60 0.38 -0.79 1.13 5.08 0.52 -0.65 114.58 120.84 3ksg h GLU 143 Ca 0.08 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3ksg h GLU 143 Cb 0.77 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3ksg h GLU 143 CO 0.06 0.66 0.37 0.00 -1.00 0.00 0.00 179.01 179.10 3ksg h ALA 144 N 1.34 1.02 -0.78 3.43 0.00 0.05 0.42 119.26 124.74 3ksg h ALA 144 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3ksg h ALA 144 Cb 0.72 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ksg h ALA 144 CO 0.06 0.59 0.31 0.82 0.00 0.00 0.00 179.25 181.02 3ksg h ILE 145 N 1.12 1.26 -0.58 0.00 1.08 0.02 -1.64 117.51 118.77 3ksg h ILE 145 Ca 0.27 -0.83 -0.04 0.00 -0.39 0.00 0.00 64.86 63.88 3ksg h ILE 145 Cb 0.13 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 3ksg h ILE 145 CO -0.03 0.34 0.22 0.58 -0.69 0.00 0.00 178.15 178.57 3ksg h VAL 146 N 1.14 1.23 -0.69 1.67 2.07 -0.41 -2.09 116.25 119.17 3ksg h VAL 146 Ca 0.26 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3ksg h VAL 146 Cb 0.22 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3ksg h VAL 146 CO -0.02 0.28 0.41 0.50 0.02 0.00 0.00 177.57 178.76 3ksg h LYS 147 N 0.80 0.76 -0.82 1.57 1.63 -0.42 0.51 116.57 120.60 3ksg h LYS 147 Ca 0.19 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 3ksg h LYS 147 Cb 0.22 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 3ksg h LYS 147 CO -0.01 0.50 0.53 0.82 -3.45 0.00 0.00 179.45 177.83 3ksg h ILE 148 N 0.78 1.22 -0.13 2.00 2.04 -0.89 0.35 117.51 122.87 3ksg h ILE 148 Ca 0.29 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 3ksg h ILE 148 Cb 0.10 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3ksg h ILE 148 CO -0.14 0.21 -0.23 0.40 0.00 0.00 0.00 178.15 178.39 3ksg h ILE 149 N 1.11 1.37 0.00 -0.67 2.04 -0.53 -3.06 117.51 117.78 3ksg h ILE 149 Ca 0.30 -1.48 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 3ksg h ILE 149 Cb -0.10 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3ksg h ILE 149 CO -0.06 0.43 -0.02 -0.33 0.00 0.00 0.00 178.15 178.18 3ksg h GLU 150 N -0.01 0.00 -0.55 2.37 5.08 0.54 -0.90 114.58 121.11 3ksg h GLU 150 Ca 0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3ksg h GLU 150 Cb 0.81 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3ksg h GLU 150 CO 0.05 0.02 -0.06 0.87 -1.00 0.00 0.00 179.01 178.89 3ksg h LYS 151 N 0.00 0.99 0.00 2.33 6.56 -0.85 -0.39 116.57 125.22 3ksg h LYS 151 Ca -0.00 -0.33 -0.12 0.00 -1.06 0.00 0.00 60.65 59.14 3ksg h LYS 151 Cb 0.03 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.59 3ksg h LYS 151 CO 0.00 1.01 -0.57 1.96 -2.06 0.00 0.00 179.45 179.79 3ksg h GLN 152 N 0.90 0.00 0.00 3.15 1.08 -1.12 -3.08 115.11 116.04 3ksg h GLN 152 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3ksg h GLN 152 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3ksg h GLN 152 CO 0.04 0.57 -0.70 -0.07 -0.95 0.00 0.00 178.83 177.71 3ksg h LEU 153 N 0.00 0.00 0.00 1.46 3.38 -1.16 -3.42 115.31 115.57 3ksg h LEU 153 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ksg h LEU 153 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ksg h LEU 153 CO 0.07 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.72