#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksf s ILE 4 N 0.00 2.06 0.08 12.58 1.01 -1.26 -4.95 121.20 130.72 3ksf s ILE 4 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 60.65 59.38 3ksf s ILE 4 Cb 0.00 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 3ksf s ILE 4 CO 0.00 0.54 1.26 0.20 0.00 0.00 0.00 174.94 176.95 3ksf s ASN 5 N 1.06 6.99 0.29 3.58 0.01 -1.26 -4.95 114.94 120.65 3ksf s ASN 5 Ca -0.01 2.12 -0.29 0.00 -0.71 0.00 0.00 52.86 53.98 3ksf s ASN 5 Cb -0.14 -2.58 -0.14 0.00 0.41 0.00 0.00 41.25 38.80 3ksf s ASN 5 CO -0.08 -0.53 1.08 -2.65 -1.51 0.00 0.00 177.10 173.42 3ksf n PRO 6 N 3.92 1.49 -3.54 -0.60 -0.02 -1.26 -4.64 135.00 130.34 3ksf n PRO 6 Ca 0.10 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.73 3ksf n PRO 6 Cb 0.45 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 3ksf n PRO 6 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ksf s THR 7 N -0.94 5.19 -1.04 3.45 2.01 -1.26 -4.99 115.64 118.05 3ksf s THR 7 Ca 0.60 0.69 -0.12 0.00 0.31 0.00 0.00 61.69 63.17 3ksf s THR 7 Cb -0.69 -3.66 0.23 0.00 0.01 0.00 0.00 72.50 68.39 3ksf s THR 7 CO 0.59 0.50 1.09 0.21 -0.69 0.00 0.00 174.62 176.32 3ksf s ASN 8 N -0.45 7.08 0.43 3.53 3.04 -1.26 -4.88 114.94 122.43 3ksf s ASN 8 Ca 0.21 -3.13 0.17 0.00 0.04 0.00 0.00 52.86 50.15 3ksf s ASN 8 Cb -0.15 -2.26 0.97 0.00 -1.54 0.00 0.00 41.25 38.27 3ksf s ASN 8 CO 0.09 -0.51 1.92 1.88 -3.04 0.00 0.00 177.10 177.44 3ksf h TYR 9 N 7.23 0.00 -0.49 0.43 0.05 -1.97 -1.15 116.97 121.07 3ksf h TYR 9 Ca 0.18 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 3ksf h TYR 9 Cb 0.93 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 3ksf h TYR 9 CO 0.93 0.26 0.09 1.15 -1.05 0.00 0.00 178.16 179.54 3ksf h THR 10 N 0.00 1.25 -0.33 -2.88 2.02 -2.00 -0.27 112.91 110.69 3ksf h THR 10 Ca -0.00 -0.89 -0.12 0.00 0.77 0.00 0.00 66.41 66.16 3ksf h THR 10 Cb 0.51 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3ksf h THR 10 CO 0.03 0.32 -0.26 0.25 0.37 0.00 0.00 175.52 176.23 3ksf h LEU 11 N 0.67 0.81 -0.66 2.58 5.85 -1.91 -2.85 115.31 119.80 3ksf h LEU 11 Ca 0.15 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3ksf h LEU 11 Cb 0.37 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3ksf h LEU 11 CO 0.01 1.09 0.40 0.25 -0.34 0.00 0.00 178.44 179.85 3ksf h LEU 12 N 0.54 0.79 -0.83 2.25 5.85 -1.02 -0.82 115.31 122.08 3ksf h LEU 12 Ca 0.06 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3ksf h LEU 12 Cb 0.83 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3ksf h LEU 12 CO 0.07 0.62 -0.09 0.11 -0.34 0.00 0.00 178.44 178.80 3ksf h LYS 13 N 0.90 0.77 -0.29 1.25 1.57 -1.06 0.97 116.57 120.68 3ksf h LYS 13 Ca 0.24 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3ksf h LYS 13 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3ksf h LYS 13 CO -0.05 0.84 -0.38 0.87 -0.57 0.00 0.00 179.45 180.17 3ksf h LYS 14 N 0.70 0.67 -0.03 3.15 1.57 -1.23 -1.34 116.57 120.06 3ksf h LYS 14 Ca 0.12 -0.34 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 3ksf h LYS 14 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3ksf h LYS 14 CO 0.03 0.94 -0.74 1.96 -0.57 0.00 0.00 179.45 181.07 3ksf h GLN 15 N 0.56 0.21 -0.02 3.15 4.20 -0.93 -2.35 115.11 119.92 3ksf h GLN 15 Ca 0.05 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3ksf h GLN 15 Cb 0.90 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 3ksf h GLN 15 CO 0.08 0.86 0.01 0.00 -0.67 0.00 0.00 178.83 179.10 3ksf h ALA 16 N 1.09 0.03 -0.42 3.87 0.00 -0.60 0.11 119.26 123.33 3ksf h ALA 16 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3ksf h ALA 16 Cb 1.31 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3ksf h ALA 16 CO 0.11 -0.36 0.15 0.00 0.00 0.00 0.00 179.25 179.16 3ksf h ALA 17 N 0.79 0.50 -0.25 0.00 0.00 -1.23 -2.19 119.26 116.89 3ksf h ALA 17 Ca 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3ksf h ALA 17 Cb 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ksf h ALA 17 CO -0.00 -0.24 -0.17 0.77 0.00 0.00 0.00 179.25 179.61 3ksf h SER 18 N 0.32 0.42 -0.17 0.00 0.02 -1.23 -2.15 113.55 110.75 3ksf h SER 18 Ca 0.20 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3ksf h SER 18 Cb 0.19 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3ksf h SER 18 CO -0.20 0.61 0.05 0.25 -1.14 0.00 0.00 176.83 176.40 3ksf h LEU 19 N 0.39 0.26 -3.47 5.07 6.46 -0.16 -3.26 115.31 120.61 3ksf h LEU 19 Ca 0.07 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 3ksf h LEU 19 Cb 0.53 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 3ksf h LEU 19 CO 0.03 0.40 0.04 2.30 -0.62 0.00 0.00 178.44 180.59 3ksf n ILE 20 N -4.82 2.60 -2.20 4.05 -5.35 -1.01 -4.95 119.36 107.70 3ksf n ILE 20 Ca -0.04 -1.69 -0.41 0.00 -0.27 0.00 0.00 62.75 60.33 3ksf n ILE 20 Cb 0.15 -0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 37.74 3ksf n ILE 20 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3ksf s GLU 21 N -2.85 4.37 0.00 6.28 2.12 -0.81 -2.36 118.70 125.45 3ksf s GLU 21 Ca 0.50 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.90 3ksf s GLU 21 Cb 0.39 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.59 3ksf s GLU 21 CO 0.12 -0.28 0.00 -0.25 -0.54 0.00 0.00 175.26 174.31 3ksf n ASP 22 N 2.69 -0.50 -4.84 -1.70 8.00 -1.26 -5.00 116.55 113.94 3ksf n ASP 22 Ca 0.06 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 3ksf n ASP 22 Cb 0.43 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 3ksf n ASP 22 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ksf s GLU 23 N -0.26 3.25 0.00 -1.24 0.41 -1.00 -4.99 118.70 114.87 3ksf s GLU 23 Ca 0.00 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.16 3ksf s GLU 23 Cb 0.00 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 3ksf s GLU 23 CO 0.00 0.66 0.03 0.72 -0.49 0.00 0.00 175.26 176.18 3ksf n HIS 24 N 1.10 0.00 -2.47 1.61 8.25 -1.26 -4.79 115.22 117.66 3ksf n HIS 24 Ca -0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.91 3ksf n HIS 24 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 3ksf n HIS 24 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ksf s HIS 25 N -0.01 2.68 0.18 4.41 5.04 -1.26 -4.79 115.29 121.55 3ksf s HIS 25 Ca 0.00 0.82 -0.15 0.00 -1.54 0.00 0.00 55.06 54.19 3ksf s HIS 25 Cb 0.00 -4.12 0.14 0.00 0.04 0.00 0.00 32.58 28.65 3ksf s HIS 25 CO 0.00 -1.58 1.70 1.98 -2.34 0.00 0.00 174.74 174.49 3ksf h MET 26 N 9.54 0.12 -0.58 2.88 4.05 -1.96 -1.11 114.93 127.88 3ksf h MET 26 Ca -0.25 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 3ksf h MET 26 Cb 1.09 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.83 3ksf h MET 26 CO 1.07 0.08 0.24 0.82 0.23 0.00 0.00 176.91 179.35 3ksf h ILE 27 N 0.13 1.22 -0.50 1.77 1.08 -1.99 0.25 117.51 119.48 3ksf h ILE 27 Ca 0.22 -0.69 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 3ksf h ILE 27 Cb 0.31 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3ksf h ILE 27 CO -0.35 0.27 0.20 0.00 -0.69 0.00 0.00 178.15 177.58 3ksf h ALA 28 N 1.08 0.65 -0.43 1.87 0.00 -1.91 -0.16 119.26 120.36 3ksf h ALA 28 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ksf h ALA 28 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ksf h ALA 28 CO -0.02 0.25 0.19 0.82 0.00 0.00 0.00 179.25 180.49 3ksf h ILE 29 N 0.67 1.19 -0.53 0.00 2.04 -1.02 -1.49 117.51 118.37 3ksf h ILE 29 Ca 0.17 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 3ksf h ILE 29 Cb 0.19 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3ksf h ILE 29 CO -0.01 0.21 -0.09 -0.07 0.00 0.00 0.00 178.15 178.19 3ksf h LEU 30 N 0.55 0.99 0.04 1.44 4.07 -0.73 0.24 115.31 121.91 3ksf h LEU 30 Ca 0.14 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.76 3ksf h LEU 30 Cb 0.16 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.63 3ksf h LEU 30 CO -0.02 1.10 -0.02 0.28 -1.08 0.00 0.00 178.44 178.70 3ksf h SER 31 N 0.86 -0.05 -0.32 -0.43 0.02 -0.93 -0.28 113.55 112.42 3ksf h SER 31 Ca 0.14 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 3ksf h SER 31 Cb 0.65 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3ksf h SER 31 CO 0.04 0.13 -0.05 0.78 -1.14 0.00 0.00 176.83 176.60 3ksf h ASN 32 N -0.23 0.69 0.29 3.07 2.35 -1.25 -2.73 115.58 117.76 3ksf h ASN 32 Ca -0.01 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 3ksf h ASN 32 Cb 0.21 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3ksf h ASN 32 CO 0.01 0.79 -0.41 0.24 -1.65 0.00 0.00 177.43 176.40 3ksf h MET 33 N 0.66 0.17 -0.58 0.81 2.86 -0.76 -1.34 114.93 116.75 3ksf h MET 33 Ca 0.13 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3ksf h MET 33 Cb 0.48 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 3ksf h MET 33 CO 0.02 0.56 0.27 0.66 1.06 0.00 0.00 176.91 179.48 3ksf h SER 34 N 0.14 0.76 -0.25 1.22 4.64 -0.74 -1.48 113.55 117.84 3ksf h SER 34 Ca 0.01 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 3ksf h SER 34 Cb 0.79 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3ksf h SER 34 CO 0.06 0.69 -0.02 0.00 -0.87 0.00 0.00 176.83 176.68 3ksf h ALA 35 N 1.11 0.33 -1.01 5.18 0.00 -1.32 -1.15 119.26 122.40 3ksf h ALA 35 Ca 0.20 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ksf h ALA 35 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3ksf h ALA 35 CO -0.02 0.09 0.67 1.25 0.00 0.00 0.00 179.25 181.24 3ksf h LEU 36 N 0.21 1.14 -0.33 0.00 5.85 -1.07 0.17 115.31 121.28 3ksf h LEU 36 Ca 0.07 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3ksf h LEU 36 Cb 0.46 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3ksf h LEU 36 CO 0.02 0.81 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.75 3ksf h LEU 37 N 1.34 0.66 -1.30 2.25 3.38 -1.18 -2.88 115.31 117.59 3ksf h LEU 37 Ca 0.38 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ksf h LEU 37 Cb -0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3ksf h LEU 37 CO -0.09 0.89 0.33 -1.13 0.09 0.00 0.00 178.44 178.53 3ksf h ASN 38 N 0.43 0.72 0.64 -0.43 -1.24 -0.64 -1.41 115.58 113.65 3ksf h ASN 38 Ca 0.08 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3ksf h ASN 38 Cb 0.62 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.49 3ksf h ASN 38 CO 0.04 0.58 0.00 0.47 -1.29 0.00 0.00 177.43 177.22 3ksf n ASP 39 N -4.39 0.00 0.00 1.15 8.00 -0.01 -3.90 116.55 117.40 3ksf n ASP 39 Ca 0.06 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.67 3ksf n ASP 39 Cb 0.09 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 3ksf n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ksf n ASN 40 N -1.36 0.41 -4.38 -2.24 3.02 -0.85 -5.00 115.26 104.86 3ksf n ASN 40 Ca 0.10 -0.77 -0.35 0.00 -0.03 0.00 0.00 54.58 53.53 3ksf n ASN 40 Cb 0.24 0.20 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 3ksf n ASN 40 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ksf s LEU 41 N -0.40 3.11 0.36 3.41 1.43 -0.59 -4.78 118.68 121.23 3ksf s LEU 41 Ca 0.00 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3ksf s LEU 41 Cb 0.00 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3ksf s LEU 41 CO 0.00 0.00 0.67 -0.62 0.23 0.00 0.00 176.35 176.63 3ksf s ASP 42 N 1.36 6.45 -1.10 2.29 2.15 -1.26 -4.41 116.67 122.14 3ksf s ASP 42 Ca 0.04 0.90 -0.05 0.00 0.43 0.00 0.00 52.55 53.87 3ksf s ASP 42 Cb -0.15 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.26 3ksf s ASP 42 CO -0.00 -0.33 0.95 1.67 -0.17 0.00 0.00 175.17 177.29 3ksf n GLN 43 N -1.27 -6.39 -4.15 4.34 -0.06 -1.26 -4.87 117.38 103.72 3ksf n GLN 43 Ca 0.00 0.70 -0.17 0.00 -2.00 0.00 0.00 57.00 55.54 3ksf n GLN 43 Cb 0.54 -5.35 -0.12 0.00 -4.06 0.00 0.00 30.24 21.25 3ksf n GLN 43 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3ksf s ILE 44 N -3.28 0.89 -0.32 1.69 -4.36 -1.26 -4.30 121.20 110.26 3ksf s ILE 44 Ca 0.34 -1.17 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 3ksf s ILE 44 Cb -0.15 -0.88 -0.00 0.00 1.25 0.00 0.00 42.46 42.67 3ksf s ILE 44 CO 0.61 -0.25 0.40 -0.46 0.24 0.00 0.00 174.94 175.48 3ksf n ASN 45 N 1.45 0.77 -3.64 4.36 6.94 0.26 -4.85 115.26 120.56 3ksf n ASN 45 Ca -0.21 -0.89 -0.10 0.00 -0.02 0.00 0.00 54.58 53.36 3ksf n ASN 45 Cb 0.54 0.46 -0.07 0.00 -2.36 0.00 0.00 39.78 38.36 3ksf n ASN 45 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 3ksf s TRP 46 N -0.77 -0.91 -0.12 -2.53 -0.00 -1.15 -4.62 118.94 108.85 3ksf s TRP 46 Ca 0.03 1.97 -0.05 0.00 -0.00 0.00 0.00 56.10 58.05 3ksf s TRP 46 Cb 0.03 0.47 0.05 0.00 -0.00 0.00 0.00 33.47 34.02 3ksf s TRP 46 CO 0.09 -0.45 0.27 0.54 -0.00 0.00 0.00 176.95 177.40 3ksf s VAL 47 N 1.06 -0.17 0.00 5.86 0.11 -0.94 -0.30 120.40 126.02 3ksf s VAL 47 Ca -0.05 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 3ksf s VAL 47 Cb -0.05 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3ksf s VAL 47 CO -0.11 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 3ksf n GLY 48 N 4.61 1.47 3.09 6.54 0.00 -0.29 -0.18 105.19 120.43 3ksf n GLY 48 Ca -0.19 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 3ksf n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksf s PHE 49 N -2.12 0.65 -0.01 1.61 0.08 -0.42 -0.88 117.98 116.89 3ksf s PHE 49 Ca 0.00 -0.77 0.05 0.00 0.12 0.00 0.00 56.93 56.33 3ksf s PHE 49 Cb 0.00 -0.40 -0.01 0.00 -0.57 0.00 0.00 43.02 42.03 3ksf s PHE 49 CO 0.00 -0.19 -0.16 0.71 -0.10 0.00 0.00 175.22 175.48 3ksf s TYR 50 N -2.70 1.47 -0.06 0.36 1.51 -0.93 -0.41 117.35 116.59 3ksf s TYR 50 Ca 0.00 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3ksf s TYR 50 Cb -0.01 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3ksf s TYR 50 CO -0.04 -0.02 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.79 3ksf s LEU 51 N -0.44 3.06 -0.15 -1.29 1.02 0.39 -1.31 118.68 119.96 3ksf s LEU 51 Ca 0.06 -0.07 -0.29 0.00 0.02 0.00 0.00 54.13 53.85 3ksf s LEU 51 Cb -0.06 -1.66 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 3ksf s LEU 51 CO -0.00 0.36 1.11 -0.22 0.02 0.00 0.00 176.35 177.61 3ksf s LEU 52 N -0.82 4.19 -0.17 1.79 0.20 -0.72 -0.29 118.68 122.86 3ksf s LEU 52 Ca 0.12 1.57 -0.09 0.00 0.69 0.00 0.00 54.13 56.42 3ksf s LEU 52 Cb -0.11 -3.55 0.06 0.00 -0.43 0.00 0.00 46.19 42.16 3ksf s LEU 52 CO 0.01 -0.61 0.40 -1.61 -0.29 0.00 0.00 176.35 174.25 3ksf s GLU 53 N 2.75 0.38 -1.31 1.98 2.02 0.30 -4.92 118.70 119.89 3ksf s GLU 53 Ca 0.50 0.79 -0.02 0.00 0.02 0.00 0.00 54.97 56.26 3ksf s GLU 53 Cb -0.19 -0.01 -0.00 0.00 0.10 0.00 0.00 34.13 34.03 3ksf s GLU 53 CO 0.14 -0.17 0.63 1.04 0.02 0.00 0.00 175.26 176.93 3ksf n GLN 54 N 4.34 -4.11 -2.95 1.61 3.00 -1.26 -1.93 117.38 116.08 3ksf n GLN 54 Ca -0.22 0.55 -0.21 0.00 -0.01 0.00 0.00 57.00 57.11 3ksf n GLN 54 Cb 0.55 -4.93 0.01 0.00 0.00 0.00 0.00 30.24 25.87 3ksf n GLN 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3ksf n ASN 55 N -3.01 -4.98 -3.57 1.08 3.02 -1.26 -4.96 115.26 101.58 3ksf n ASN 55 Ca -0.28 -0.20 -0.12 0.00 -0.03 0.00 0.00 54.58 53.95 3ksf n ASN 55 Cb 0.67 -4.09 -0.04 0.00 -0.61 0.00 0.00 39.78 35.71 3ksf n ASN 55 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3ksf s GLU 56 N -5.60 1.10 -0.13 3.52 -1.05 -0.81 -4.05 118.70 111.68 3ksf s GLU 56 Ca 0.24 -0.52 -0.16 0.00 -0.15 0.00 0.00 54.97 54.38 3ksf s GLU 56 Cb -0.12 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 3ksf s GLU 56 CO 0.30 -0.43 0.40 -0.51 0.95 0.00 0.00 175.26 175.96 3ksf s LEU 57 N -2.54 4.27 -0.09 1.83 1.43 0.13 -0.54 118.68 123.18 3ksf s LEU 57 Ca 0.00 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 3ksf s LEU 57 Cb 0.00 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 3ksf s LEU 57 CO -0.09 0.06 -0.18 -0.63 0.23 0.00 0.00 176.35 175.74 3ksf s ILE 58 N 0.46 2.67 0.15 -0.59 1.09 0.60 -0.32 121.20 125.25 3ksf s ILE 58 Ca 0.22 -0.83 -0.34 0.00 -1.10 0.00 0.00 60.65 58.60 3ksf s ILE 58 Cb -0.14 -2.05 -0.16 0.00 -1.06 0.00 0.00 42.46 39.05 3ksf s ILE 58 CO 0.08 0.56 1.26 -0.11 -0.10 0.00 0.00 174.94 176.62 3ksf n LEU 59 N 3.05 1.74 0.00 2.97 7.94 0.48 -0.47 117.00 132.71 3ksf n LEU 59 Ca -0.18 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3ksf n LEU 59 Cb 0.52 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.24 3ksf n LEU 59 CO 0.28 -1.11 0.00 0.61 -1.11 0.00 0.00 177.39 176.05 3ksf n GLY 60 N 2.26 5.33 3.67 -3.96 0.00 0.45 -4.78 105.19 108.16 3ksf n GLY 60 Ca 0.16 -2.07 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 3ksf n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksf n PRO 61 N 0.00 1.98 -3.85 1.61 -0.02 -1.26 -4.50 135.00 128.96 3ksf n PRO 61 Ca 0.00 0.70 -0.08 0.00 -2.02 0.00 0.00 63.50 62.10 3ksf n PRO 61 Cb 0.00 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 3ksf n PRO 61 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ksf s PHE 62 N -0.43 -0.03 -0.15 6.00 -0.12 -1.26 -1.30 117.98 120.69 3ksf s PHE 62 Ca 0.64 -0.36 0.02 0.00 -0.05 0.00 0.00 56.93 57.17 3ksf s PHE 62 Cb -0.64 0.47 0.02 0.00 -0.63 0.00 0.00 43.02 42.24 3ksf s PHE 62 CO 0.54 -1.07 -0.20 -0.65 -0.05 0.00 0.00 175.22 173.80 3ksf s GLN 63 N -3.93 2.83 0.00 1.99 -1.52 0.75 -4.95 119.66 114.83 3ksf s GLN 63 Ca 0.13 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 52.77 3ksf s GLN 63 Cb -0.03 -2.38 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 3ksf s GLN 63 CO 0.04 -0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.37 3ksf n GLY 64 N 4.37 0.47 3.94 3.09 0.00 -1.26 -2.21 105.19 113.59 3ksf n GLY 64 Ca -0.20 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 3ksf n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ksf s HIS 65 N -3.21 3.43 0.15 1.61 3.76 -1.26 -5.02 115.29 114.75 3ksf s HIS 65 Ca 0.00 0.34 -0.33 0.00 -0.15 0.00 0.00 55.06 54.93 3ksf s HIS 65 Cb 0.00 -2.02 -0.17 0.00 1.11 0.00 0.00 32.58 31.49 3ksf s HIS 65 CO 0.00 -0.02 0.90 -2.30 -0.85 0.00 0.00 174.74 172.47 3ksf n PRO 66 N -1.89 0.47 -4.50 8.40 -0.02 -1.26 -4.98 135.00 131.23 3ksf n PRO 66 Ca -0.03 0.17 -0.23 0.00 -2.02 0.00 0.00 63.50 61.38 3ksf n PRO 66 Cb 0.56 -1.48 -0.11 0.00 -0.02 0.00 0.00 33.50 32.46 3ksf n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksf s ALA 67 N -0.50 2.61 0.27 3.55 0.00 -1.26 -5.10 121.76 121.34 3ksf s ALA 67 Ca 0.73 -2.10 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 3ksf s ALA 67 Cb -0.97 0.39 -0.10 0.00 0.00 0.00 0.00 23.12 22.44 3ksf s ALA 67 CO 0.55 -0.19 1.37 0.00 0.00 0.00 0.00 175.76 177.49 3ksf h VAL 69 N 3.37 1.37 -3.34 0.00 2.07 -1.97 -3.42 116.25 114.32 3ksf h VAL 69 Ca -0.47 -2.42 -0.62 0.00 0.82 0.00 0.00 66.70 64.01 3ksf h VAL 69 Cb 1.22 2.99 -0.16 0.00 -1.52 0.00 0.00 31.29 33.82 3ksf h VAL 69 CO 0.73 0.65 -0.56 -1.00 0.02 0.00 0.00 177.57 177.40 3ksf s HIS 70 N -2.39 3.24 -0.18 1.57 3.76 -1.26 -0.39 115.29 119.64 3ksf s HIS 70 Ca -0.18 0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.76 3ksf s HIS 70 Cb 0.02 -2.11 0.05 0.00 1.11 0.00 0.00 32.58 31.65 3ksf s HIS 70 CO 0.76 0.10 -0.04 0.42 -0.85 0.00 0.00 174.74 175.13 3ksf s ILE 71 N 0.53 1.09 0.49 0.60 1.01 0.56 -4.98 121.20 120.50 3ksf s ILE 71 Ca 0.04 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 3ksf s ILE 71 Cb -0.13 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 3ksf s ILE 71 CO 0.01 0.07 1.21 -2.84 0.00 0.00 0.00 174.94 173.39 3ksf s PRO 72 N 1.63 3.54 0.51 2.79 0.02 -1.26 0.23 135.00 142.46 3ksf s PRO 72 Ca -0.00 1.88 -0.22 0.00 0.02 0.00 0.00 61.00 62.67 3ksf s PRO 72 Cb -0.16 -2.32 -0.06 0.00 0.02 0.00 0.00 34.50 31.98 3ksf s PRO 72 CO -0.07 -0.76 1.29 0.42 -0.33 0.00 0.00 177.00 177.55 3ksf s ILE 73 N -1.50 2.46 0.00 2.83 -1.09 -1.26 -2.20 121.20 120.44 3ksf s ILE 73 Ca 0.67 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 3ksf s ILE 73 Cb -0.31 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3ksf s ILE 73 CO 0.37 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 3ksf n GLY 74 N 0.62 2.15 3.71 6.18 0.00 0.13 -4.92 105.19 113.05 3ksf n GLY 74 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3ksf n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksf s LYS 75 N 0.00 4.14 0.01 1.61 1.02 -0.93 -4.26 119.74 121.33 3ksf s LYS 75 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.74 3ksf s LYS 75 Cb 0.00 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3ksf s LYS 75 CO 0.00 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.13 3ksf n GLY 76 N 3.53 -2.29 0.25 -3.33 0.00 -1.26 -2.00 105.19 100.08 3ksf n GLY 76 Ca -0.16 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 3ksf n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ksf h VAL 77 N 0.00 1.28 -0.38 1.61 2.07 -1.93 -0.33 116.25 118.57 3ksf h VAL 77 Ca 0.00 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 65.90 3ksf h VAL 77 Cb 0.00 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3ksf h VAL 77 CO 0.00 0.50 -0.18 0.00 0.02 0.00 0.00 177.57 177.90 3ksf h GLY 79 N 0.60 0.63 1.91 0.00 0.00 -1.33 -2.48 103.07 102.40 3ksf h GLY 79 Ca 0.08 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.87 3ksf h GLY 79 CO 0.06 0.36 -0.73 -0.84 0.00 0.00 0.00 176.54 175.39 3ksf h THR 80 N 0.56 1.49 -0.79 4.70 2.02 -0.92 0.39 112.91 120.35 3ksf h THR 80 Ca 0.12 -2.42 -0.04 0.00 0.77 0.00 0.00 66.41 64.84 3ksf h THR 80 Cb 0.38 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 3ksf h THR 80 CO 0.01 0.70 0.34 0.00 0.37 0.00 0.00 175.52 176.94 3ksf h ALA 81 N 1.20 1.03 0.15 6.16 0.00 -0.85 0.27 119.26 127.21 3ksf h ALA 81 Ca -0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 3ksf h ALA 81 Cb 1.29 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 18.80 3ksf h ALA 81 CO 0.10 0.63 -1.19 -0.39 0.00 0.00 0.00 179.25 178.41 3ksf h VAL 82 N 1.14 1.33 -0.63 0.00 -1.51 -1.41 0.48 116.25 115.66 3ksf h VAL 82 Ca 0.27 -2.49 -0.03 0.00 -1.23 0.00 0.00 66.70 63.21 3ksf h VAL 82 Cb 0.18 2.84 -0.03 0.00 -2.13 0.00 0.00 31.29 32.16 3ksf h VAL 82 CO -0.03 0.75 0.27 0.77 -1.23 0.00 0.00 177.57 178.10 3ksf h SER 83 N 0.12 0.84 1.26 4.19 4.64 -1.23 -2.61 113.55 120.76 3ksf h SER 83 Ca -0.19 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3ksf h SER 83 Cb 1.89 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3ksf h SER 83 CO 0.23 0.76 -0.40 -0.33 -0.87 0.00 0.00 176.83 176.22 3ksf h GLU 84 N 0.87 0.00 -4.32 4.77 5.08 -1.00 -3.48 114.58 116.49 3ksf h GLU 84 Ca 0.21 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.17 3ksf h GLU 84 Cb 0.17 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.45 3ksf h GLU 84 CO -0.02 0.00 -0.59 0.54 -1.00 0.00 0.00 179.01 177.94 3ksf n ARG 85 N -2.42 -4.27 -4.04 2.33 1.74 0.16 -4.98 116.66 105.18 3ksf n ARG 85 Ca 0.04 0.89 -0.08 0.00 -0.77 0.00 0.00 57.85 57.93 3ksf n ARG 85 Cb 0.47 -5.71 -0.10 0.00 -1.02 0.00 0.00 32.46 26.10 3ksf n ARG 85 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3ksf s ARG 86 N -5.62 0.49 0.33 5.56 0.52 -0.68 -4.98 118.95 114.58 3ksf s ARG 86 Ca 0.26 -0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 3ksf s ARG 86 Cb -0.12 0.17 -0.10 0.00 0.52 0.00 0.00 34.95 35.42 3ksf s ARG 86 CO 0.32 -0.09 1.38 0.99 0.02 0.00 0.00 175.30 177.93 3ksf s THR 87 N -2.93 2.50 -0.18 0.02 2.01 -1.26 -4.48 115.64 111.32 3ksf s THR 87 Ca -0.02 0.49 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 3ksf s THR 87 Cb 0.01 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.21 3ksf s THR 87 CO -0.06 0.11 -0.13 -1.10 -0.69 0.00 0.00 174.62 172.74 3ksf s GLN 88 N -1.64 3.21 -0.30 4.92 -1.52 0.56 -4.97 119.66 119.92 3ksf s GLN 88 Ca 0.52 -0.73 0.01 0.00 -1.95 0.00 0.00 55.36 53.21 3ksf s GLN 88 Cb -0.42 -2.72 0.07 0.00 -0.22 0.00 0.00 33.01 29.72 3ksf s GLN 88 CO 0.54 -0.09 -0.01 0.08 -0.25 0.00 0.00 175.29 175.56 3ksf s VAL 89 N 1.10 2.53 -0.27 1.09 1.01 -1.26 -0.30 120.40 124.30 3ksf s VAL 89 Ca 0.00 -1.78 -0.09 0.00 0.00 0.00 0.00 61.98 60.12 3ksf s VAL 89 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3ksf s VAL 89 CO -0.04 -0.25 0.12 -0.69 0.00 0.00 0.00 175.10 174.24 3ksf s VAL 90 N 1.10 4.69 0.07 2.92 1.01 0.16 -4.96 120.40 125.39 3ksf s VAL 90 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3ksf s VAL 90 Cb -0.20 -3.25 -0.24 0.00 0.00 0.00 0.00 36.38 32.69 3ksf s VAL 90 CO -0.05 0.26 1.09 0.00 0.00 0.00 0.00 175.10 176.41 3ksf h ALA 91 N 8.30 0.34 -2.50 5.51 0.00 -1.88 -0.72 119.26 128.31 3ksf h ALA 91 Ca -0.36 -1.01 -0.43 0.00 0.00 0.00 0.00 54.91 53.10 3ksf h ALA 91 Cb 1.17 0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.64 3ksf h ALA 91 CO 0.58 1.21 -0.71 0.34 0.00 0.00 0.00 179.25 180.67 3ksf s ASP 92 N -6.77 2.59 0.54 0.00 3.68 -1.26 0.25 116.67 115.70 3ksf s ASP 92 Ca -0.03 -0.99 0.22 0.00 2.13 0.00 0.00 52.55 53.89 3ksf s ASP 92 Cb 0.09 0.06 1.43 0.00 -1.45 0.00 0.00 42.92 43.05 3ksf s ASP 92 CO 0.84 -0.41 2.11 0.58 0.13 0.00 0.00 175.17 178.42 3ksf h VAL 93 N 6.34 0.79 0.00 1.11 2.07 -1.00 0.20 116.25 125.76 3ksf h VAL 93 Ca -0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3ksf h VAL 93 Cb 1.05 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3ksf h VAL 93 CO 0.38 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.38 3ksf n HIS 94 N -4.30 0.00 0.96 1.57 8.25 -1.26 -1.63 115.22 118.81 3ksf n HIS 94 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 3ksf n HIS 94 Cb 0.26 -0.48 -0.06 0.00 1.12 0.00 0.00 29.99 30.83 3ksf n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ksf n GLN 95 N -1.48 0.77 -2.62 -0.41 1.13 0.68 -4.90 117.38 110.55 3ksf n GLN 95 Ca 0.05 -0.48 -0.43 0.00 -1.94 0.00 0.00 57.00 54.20 3ksf n GLN 95 Cb 0.21 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 29.09 3ksf n GLN 95 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3ksf s PHE 96 N -2.66 2.99 0.19 1.08 2.19 -0.65 -4.97 117.98 116.16 3ksf s PHE 96 Ca 0.13 0.96 -0.29 0.00 0.33 0.00 0.00 56.93 58.06 3ksf s PHE 96 Cb 0.16 -4.05 -0.17 0.00 -1.31 0.00 0.00 43.02 37.66 3ksf s PHE 96 CO 0.70 -1.01 0.70 1.17 1.83 0.00 0.00 175.22 178.61 3ksf n LYS 97 N 7.33 0.31 -3.61 10.12 3.00 -1.26 -2.80 118.16 131.25 3ksf n LYS 97 Ca 0.12 0.11 -0.27 0.00 -0.00 0.00 0.00 58.31 58.27 3ksf n LYS 97 Cb 0.48 -1.26 0.05 0.00 0.00 0.00 0.00 35.03 34.30 3ksf n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ksf n GLY 98 N 1.81 -0.92 2.92 3.14 0.00 -1.26 -4.84 105.19 106.04 3ksf n GLY 98 Ca 0.17 0.44 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 3ksf n GLY 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ksf s HIS 99 N -3.49 -0.19 0.09 1.61 5.04 -1.12 -4.09 115.29 113.15 3ksf s HIS 99 Ca 0.41 0.54 0.09 0.00 -1.54 0.00 0.00 55.06 54.56 3ksf s HIS 99 Cb -0.13 -0.10 -0.04 0.00 0.04 0.00 0.00 32.58 32.35 3ksf s HIS 99 CO 0.84 -0.20 -0.20 0.42 -2.34 0.00 0.00 174.74 173.26 3ksf s ILE 100 N 1.41 2.67 0.70 0.89 1.01 -1.26 -4.94 121.20 121.67 3ksf s ILE 100 Ca -0.07 -1.46 -0.16 0.00 0.00 0.00 0.00 60.65 58.96 3ksf s ILE 100 Cb -0.12 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3ksf s ILE 100 CO -0.06 0.18 0.58 0.00 0.00 0.00 0.00 174.94 175.64 3ksf n ALA 101 N 1.09 -1.30 0.00 9.38 0.00 -1.26 -4.92 120.51 123.50 3ksf n ALA 101 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3ksf n ALA 101 Cb 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3ksf n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ksf s ASP 103 N -2.66 3.16 0.55 0.00 2.15 -1.26 -4.97 116.67 113.65 3ksf s ASP 103 Ca 0.00 -0.94 0.34 0.00 0.43 0.00 0.00 52.55 52.38 3ksf s ASP 103 Cb 0.00 -0.73 1.49 0.00 -0.30 0.00 0.00 42.92 43.39 3ksf s ASP 103 CO 0.00 -0.30 1.82 0.00 -0.17 0.00 0.00 175.17 176.52 3ksf h ALA 104 N 8.18 2.90 0.06 3.66 0.00 -2.01 -2.42 119.26 129.62 3ksf h ALA 104 Ca -0.16 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 3ksf h ALA 104 Cb 1.10 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3ksf h ALA 104 CO 0.36 -1.26 -1.08 -0.91 0.00 0.00 0.00 179.25 176.36 3ksf h ASN 105 N 0.00 0.27 -2.64 0.00 2.35 -1.97 -3.47 115.58 110.12 3ksf h ASN 105 Ca 0.47 -0.27 -0.52 0.00 -0.55 0.00 0.00 56.30 55.43 3ksf h ASN 105 Cb 1.97 -0.09 0.05 0.00 0.05 0.00 0.00 38.32 40.31 3ksf h ASN 105 CO -0.00 1.17 1.03 -0.44 -1.65 0.00 0.00 177.43 177.54 3ksf s SER 106 N -6.97 6.40 -0.06 5.81 0.01 -0.91 -4.40 113.70 113.57 3ksf s SER 106 Ca -0.02 2.83 -0.01 0.00 1.31 0.00 0.00 55.95 60.06 3ksf s SER 106 Cb 0.09 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 3ksf s SER 106 CO 0.85 -0.97 -0.06 0.29 0.41 0.00 0.00 173.24 173.75 3ksf n LYS 107 N 4.37 0.14 -4.48 12.44 4.76 0.22 -4.91 118.16 130.71 3ksf n LYS 107 Ca 0.16 0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.41 3ksf n LYS 107 Cb 0.36 -0.97 -0.10 0.00 -1.84 0.00 0.00 35.03 32.47 3ksf n LYS 107 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ksf s SER 108 N -4.94 3.17 -0.11 4.39 1.04 -1.10 -0.41 113.70 115.75 3ksf s SER 108 Ca -0.08 -1.20 -0.30 0.00 0.48 0.00 0.00 55.95 54.85 3ksf s SER 108 Cb 0.03 -0.24 0.09 0.00 0.10 0.00 0.00 66.02 66.00 3ksf s SER 108 CO 0.13 -0.29 0.82 -0.70 0.98 0.00 0.00 173.24 174.18 3ksf s GLU 109 N -3.68 0.85 -0.03 4.02 2.12 -0.28 -1.91 118.70 119.79 3ksf s GLU 109 Ca 0.31 0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.91 3ksf s GLU 109 Cb 0.03 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.83 3ksf s GLU 109 CO 0.14 -0.26 -0.09 -1.50 -0.54 0.00 0.00 175.26 173.01 3ksf s ILE 110 N -1.07 0.84 -0.10 -3.70 2.07 -0.84 0.36 121.20 118.76 3ksf s ILE 110 Ca -0.07 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.82 3ksf s ILE 110 Cb -0.00 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.84 3ksf s ILE 110 CO 0.06 0.27 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.54 3ksf s VAL 111 N 0.34 1.28 -0.19 4.00 1.01 0.59 -1.85 120.40 125.58 3ksf s VAL 111 Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3ksf s VAL 111 Cb -0.10 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3ksf s VAL 111 CO 0.01 0.40 -0.17 -0.69 0.00 0.00 0.00 175.10 174.65 3ksf s VAL 112 N 1.06 2.37 0.41 2.92 1.01 -0.33 -0.32 120.40 127.50 3ksf s VAL 112 Ca -0.06 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3ksf s VAL 112 Cb -0.15 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 3ksf s VAL 112 CO -0.02 0.51 1.23 -2.84 0.00 0.00 0.00 175.10 173.99 3ksf s PRO 113 N 1.28 3.99 -0.18 2.72 0.02 -1.26 -0.54 135.00 141.04 3ksf s PRO 113 Ca 0.04 1.98 -0.03 0.00 0.02 0.00 0.00 61.00 63.01 3ksf s PRO 113 Cb -0.13 -2.70 -0.02 0.00 0.02 0.00 0.00 34.50 31.67 3ksf s PRO 113 CO -0.10 -0.41 -0.05 0.42 -0.33 0.00 0.00 177.00 176.53 3ksf s ILE 114 N -1.35 3.55 0.19 2.83 1.01 -0.07 -4.89 121.20 122.48 3ksf s ILE 114 Ca 0.57 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.84 3ksf s ILE 114 Cb -0.34 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3ksf s ILE 114 CO 0.43 0.47 -0.03 -0.36 0.00 0.00 0.00 174.94 175.45 3ksf s PHE 115 N 0.80 2.76 -0.19 3.97 0.40 -1.26 -1.06 117.98 123.39 3ksf s PHE 115 Ca -0.02 -0.18 -0.07 0.00 -0.60 0.00 0.00 56.93 56.07 3ksf s PHE 115 Cb -0.15 -1.32 0.09 0.00 0.51 0.00 0.00 43.02 42.15 3ksf s PHE 115 CO 0.02 0.53 0.40 0.21 0.70 0.00 0.00 175.22 177.08 3ksf s LYS 116 N -3.02 0.30 -1.37 0.44 2.20 -0.54 -4.82 119.74 112.93 3ksf s LYS 116 Ca 0.27 0.99 -0.09 0.00 -0.36 0.00 0.00 55.97 56.79 3ksf s LYS 116 Cb -0.09 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 3ksf s LYS 116 CO 0.18 -0.25 1.15 -0.25 -0.36 0.00 0.00 175.35 175.81 3ksf n ASP 117 N 5.35 -5.89 0.00 1.43 8.00 -1.26 -1.73 116.55 122.44 3ksf n ASP 117 Ca -0.09 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3ksf n ASP 117 Cb 0.50 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 3ksf n ASP 117 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ksf n ASP 118 N -3.00 -3.61 -4.50 -2.24 8.00 -1.26 -4.97 116.55 104.96 3ksf n ASP 118 Ca -0.01 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.16 3ksf n ASP 118 Cb 0.56 -2.43 -0.13 0.00 -0.02 0.00 0.00 41.12 39.11 3ksf n ASP 118 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ksf s LYS 119 N -1.24 2.72 0.15 -1.24 1.02 -0.71 -5.08 119.74 115.36 3ksf s LYS 119 Ca 0.00 -0.64 -0.31 0.00 0.02 0.00 0.00 55.97 55.05 3ksf s LYS 119 Cb 0.00 -2.50 -0.08 0.00 -0.52 0.00 0.00 37.83 34.73 3ksf s LYS 119 CO 0.00 0.58 1.39 0.42 -0.92 0.00 0.00 175.35 176.83 3ksf s ILE 120 N -0.61 3.17 -0.13 2.17 1.01 -1.26 -1.47 121.20 124.08 3ksf s ILE 120 Ca 0.09 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.63 3ksf s ILE 120 Cb -0.11 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 3ksf s ILE 120 CO 0.01 0.09 0.19 2.30 0.00 0.00 0.00 174.94 177.53 3ksf n ILE 121 N 3.57 0.00 -3.55 2.92 -5.35 -0.23 -4.91 119.36 111.81 3ksf n ILE 121 Ca 0.10 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3ksf n ILE 121 Cb 0.42 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 3ksf n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ksf n GLY 122 N 0.83 -1.11 3.23 3.28 0.00 -1.22 -1.75 105.19 108.45 3ksf n GLY 122 Ca 0.01 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3ksf n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksf s VAL 123 N -3.00 0.09 -0.17 1.61 -7.23 -0.43 -0.89 120.40 110.38 3ksf s VAL 123 Ca 0.00 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 3ksf s VAL 123 Cb 0.00 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 3ksf s VAL 123 CO 0.00 -0.40 0.22 -0.22 -0.31 0.00 0.00 175.10 174.40 3ksf s LEU 124 N -1.98 4.25 -0.08 1.32 2.96 0.30 -2.20 118.68 123.26 3ksf s LEU 124 Ca -0.06 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3ksf s LEU 124 Cb -0.02 -2.25 0.01 0.00 0.50 0.00 0.00 46.19 44.44 3ksf s LEU 124 CO -0.03 0.16 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.42 3ksf s ASP 125 N 0.25 1.99 -0.08 3.68 2.15 -0.06 -1.19 116.67 123.40 3ksf s ASP 125 Ca 0.13 -0.33 -0.01 0.00 0.43 0.00 0.00 52.55 52.77 3ksf s ASP 125 Cb -0.12 -0.90 0.03 0.00 -0.30 0.00 0.00 42.92 41.63 3ksf s ASP 125 CO 0.02 0.02 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.38 3ksf s ILE 126 N 0.83 0.61 0.04 4.11 1.01 -0.77 -1.14 121.20 125.89 3ksf s ILE 126 Ca -0.11 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3ksf s ILE 126 Cb -0.15 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 3ksf s ILE 126 CO 0.02 0.30 0.11 -1.81 0.00 0.00 0.00 174.94 173.55 3ksf s ASP 127 N 1.79 5.76 0.02 3.58 1.01 0.58 -1.98 116.67 127.43 3ksf s ASP 127 Ca 0.04 0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.45 3ksf s ASP 127 Cb -0.13 -1.64 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 3ksf s ASP 127 CO -0.06 0.21 -0.12 0.00 0.21 0.00 0.00 175.17 175.41 3ksf s ALA 128 N -1.33 1.02 -2.00 5.23 0.00 -0.80 -0.57 121.76 123.30 3ksf s ALA 128 Ca 0.28 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.68 3ksf s ALA 128 Cb -0.12 -0.19 0.65 0.00 0.00 0.00 0.00 23.12 23.45 3ksf s ALA 128 CO 0.20 0.21 1.35 -0.35 0.00 0.00 0.00 175.76 177.17 3ksf n PRO 129 N 2.29 0.92 -4.22 0.00 -0.04 -1.26 -0.61 135.00 132.08 3ksf n PRO 129 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 3ksf n PRO 129 Cb 0.55 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.73 3ksf n PRO 129 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3ksf s ILE 130 N -2.00 1.07 0.56 0.52 -4.36 -1.26 -4.61 121.20 111.11 3ksf s ILE 130 Ca 0.16 -1.94 -0.14 0.00 -0.26 0.00 0.00 60.65 58.47 3ksf s ILE 130 Cb 0.07 -1.71 -0.06 0.00 1.25 0.00 0.00 42.46 42.01 3ksf s ILE 130 CO 0.13 -0.71 1.00 0.42 0.24 0.00 0.00 174.94 176.02 3ksf s THR 131 N -3.12 4.59 -1.56 8.37 -4.23 -1.26 -2.99 115.64 115.44 3ksf s THR 131 Ca 0.13 1.09 -0.11 0.00 -1.18 0.00 0.00 61.69 61.62 3ksf s THR 131 Cb 0.01 -3.77 0.09 0.00 1.34 0.00 0.00 72.50 70.17 3ksf s THR 131 CO -0.00 -0.86 0.73 -0.67 -0.54 0.00 0.00 174.62 173.28 3ksf n ASP 132 N -2.03 -2.75 -0.01 3.99 2.03 0.14 -4.88 116.55 113.04 3ksf n ASP 132 Ca 0.06 -0.94 -0.12 0.00 0.52 0.00 0.00 54.79 54.31 3ksf n ASP 132 Cb 0.54 -3.20 0.01 0.00 -0.72 0.00 0.00 41.12 37.75 3ksf n ASP 132 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3ksf h ARG 133 N -1.76 0.65 -4.99 -0.67 9.65 -1.82 -3.44 114.38 111.99 3ksf h ARG 133 Ca -0.60 -0.44 -0.64 0.00 -1.10 0.00 0.00 59.98 57.20 3ksf h ARG 133 Cb 1.38 0.06 -0.19 0.00 -1.39 0.00 0.00 29.97 29.83 3ksf h ARG 133 CO 0.70 1.06 -0.57 -0.06 2.80 0.00 0.00 179.97 183.90 3ksf s PHE 134 N -3.94 3.17 0.20 2.20 0.08 -1.26 -5.06 117.98 113.37 3ksf s PHE 134 Ca -0.08 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 56.87 3ksf s PHE 134 Cb 0.10 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.31 3ksf s PHE 134 CO 0.86 -0.19 0.23 -0.40 -0.10 0.00 0.00 175.22 175.62 3ksf n ASP 135 N 4.74 1.12 0.08 1.36 5.68 -1.26 -4.93 116.55 123.34 3ksf n ASP 135 Ca -0.15 -1.60 0.04 0.00 -0.50 0.00 0.00 54.79 52.57 3ksf n ASP 135 Cb 0.52 -0.09 0.44 0.00 -1.14 0.00 0.00 41.12 40.85 3ksf n ASP 135 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ksf h ASP 136 N 0.12 0.32 -0.20 -1.12 3.32 -1.99 -1.73 116.42 115.14 3ksf h ASP 136 Ca -0.11 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3ksf h ASP 136 Cb 0.45 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3ksf h ASP 136 CO 0.16 0.31 0.05 -1.13 -1.72 0.00 0.00 179.24 176.92 3ksf h ASN 137 N 0.36 0.29 -0.52 6.45 -1.24 -2.00 -1.14 115.58 117.79 3ksf h ASN 137 Ca 0.09 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 56.88 3ksf h ASN 137 Cb 0.11 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3ksf h ASN 137 CO -0.01 0.43 0.32 0.44 -1.29 0.00 0.00 177.43 177.32 3ksf h ASP 138 N 0.14 0.63 -0.27 1.15 3.32 -1.83 -2.28 116.42 117.27 3ksf h ASP 138 Ca 0.06 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.11 3ksf h ASP 138 Cb 0.25 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3ksf h ASP 138 CO -0.00 0.50 -0.05 0.50 -1.72 0.00 0.00 179.24 178.47 3ksf h LYS 139 N 0.70 0.02 0.13 3.56 3.64 -1.17 0.67 116.57 124.13 3ksf h LYS 139 Ca 0.19 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3ksf h LYS 139 Cb -0.02 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3ksf h LYS 139 CO -0.04 0.01 -0.18 1.49 -2.27 0.00 0.00 179.45 178.47 3ksf h GLU 140 N 0.02 -0.35 0.00 1.90 4.81 -0.87 -1.43 114.58 118.66 3ksf h GLU 140 Ca 0.13 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3ksf h GLU 140 Cb 0.19 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3ksf h GLU 140 CO -0.27 -0.23 -0.67 0.45 -0.73 0.00 0.00 179.01 177.56 3ksf h HIS 141 N -0.36 0.00 -0.18 0.92 3.86 -1.29 -2.07 115.15 116.04 3ksf h HIS 141 Ca 0.02 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.09 3ksf h HIS 141 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3ksf h HIS 141 CO -0.16 0.67 -0.47 -0.07 0.86 0.00 0.00 177.93 178.76 3ksf h LEU 142 N 0.00 0.48 -0.62 2.43 3.38 -0.78 0.27 115.31 120.46 3ksf h LEU 142 Ca -0.01 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 3ksf h LEU 142 Cb 1.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3ksf h LEU 142 CO 0.09 0.88 -0.25 -0.33 0.09 0.00 0.00 178.44 178.92 3ksf h GLU 143 N 0.36 0.82 -0.29 1.13 5.08 -1.12 -1.07 114.58 119.49 3ksf h GLU 143 Ca 0.02 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 3ksf h GLU 143 Cb 0.96 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3ksf h GLU 143 CO 0.08 0.98 -0.12 0.00 -1.00 0.00 0.00 179.01 178.95 3ksf h ALA 144 N 1.01 1.25 -0.20 3.43 0.00 -1.03 -1.33 119.26 122.38 3ksf h ALA 144 Ca 0.09 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3ksf h ALA 144 Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ksf h ALA 144 CO 0.06 0.49 -0.50 0.82 0.00 0.00 0.00 179.25 180.12 3ksf h ILE 145 N 0.46 1.32 -0.10 0.00 2.04 -0.52 -2.48 117.51 118.22 3ksf h ILE 145 Ca 0.09 -1.73 -0.07 0.00 1.00 0.00 0.00 64.86 64.14 3ksf h ILE 145 Cb 0.49 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3ksf h ILE 145 CO 0.03 0.54 -0.27 0.58 0.00 0.00 0.00 178.15 179.03 3ksf h VAL 146 N 0.43 1.24 0.00 1.67 2.07 -0.62 -1.67 116.25 119.37 3ksf h VAL 146 Ca 0.02 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 3ksf h VAL 146 Cb 1.03 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3ksf h VAL 146 CO 0.10 0.34 -0.50 0.11 0.02 0.00 0.00 177.57 177.63 3ksf h LYS 147 N 0.16 0.00 -0.42 1.57 1.57 -0.95 0.13 116.57 118.63 3ksf h LYS 147 Ca 0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3ksf h LYS 147 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3ksf h LYS 147 CO 0.04 0.50 0.03 0.82 -0.57 0.00 0.00 179.45 180.27 3ksf h ILE 148 N 0.00 1.25 -0.40 1.86 2.04 -0.88 -1.53 117.51 119.85 3ksf h ILE 148 Ca -0.01 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 3ksf h ILE 148 Cb 0.93 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3ksf h ILE 148 CO 0.07 0.33 0.12 0.40 0.00 0.00 0.00 178.15 179.07 3ksf h ILE 149 N 0.57 1.22 -0.89 -0.67 2.04 -0.96 -2.92 117.51 115.89 3ksf h ILE 149 Ca 0.12 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.33 3ksf h ILE 149 Cb 0.44 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 3ksf h ILE 149 CO 0.02 0.26 0.58 -0.33 0.00 0.00 0.00 178.15 178.67 3ksf h GLU 150 N 0.51 0.95 -0.32 2.37 5.08 -0.53 -2.01 114.58 120.63 3ksf h GLU 150 Ca 0.13 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3ksf h GLU 150 Cb 0.27 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3ksf h GLU 150 CO -0.00 0.63 0.21 0.87 -1.00 0.00 0.00 179.01 179.72 3ksf h LYS 151 N 0.98 0.34 0.00 2.33 1.79 -1.08 -1.25 116.57 119.69 3ksf h LYS 151 Ca 0.39 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 3ksf h LYS 151 Cb 0.26 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3ksf h LYS 151 CO -0.15 0.23 -0.39 1.96 -1.08 0.00 0.00 179.45 180.01 3ksf h GLN 152 N 0.35 0.00 0.00 3.15 1.08 -1.40 -3.28 115.11 115.01 3ksf h GLN 152 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3ksf h GLN 152 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3ksf h GLN 152 CO -0.03 0.00 -0.80 1.28 -0.95 0.00 0.00 178.83 178.33 3ksf n LEU 153 N -2.78 0.65 0.00 1.46 4.77 -0.65 -4.48 117.00 115.97 3ksf n LEU 153 Ca 0.03 -0.10 0.01 0.00 -0.03 0.00 0.00 56.01 55.92 3ksf n LEU 153 Cb 0.52 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 3ksf n LEU 153 CO 0.36 0.11 0.32 0.00 -1.33 0.00 0.00 177.39 176.85