#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 5.06 -0.00 12.58 1.01 -1.26 -5.01 121.20 133.58 3ksf s ILE 4 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 3ksf s ILE 4 Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 3ksf s ILE 4 CO 0.00 0.15 2.00 -3.20 0.00 0.00 0.00 174.94 173.90 3ksf n ASN 5 N 4.81 4.01 -4.51 3.58 2.85 -1.26 -4.87 115.26 119.86 3ksf n ASN 5 Ca -0.03 0.82 -0.50 0.00 -0.11 0.00 0.00 54.58 54.76 3ksf n ASN 5 Cb 0.50 -1.52 -0.04 0.00 1.24 0.00 0.00 39.78 39.96 3ksf n ASN 5 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3ksf n PRO 6 N 7.63 0.59 -3.65 1.20 -0.02 -1.26 -4.71 135.00 134.78 3ksf n PRO 6 Ca 0.22 0.21 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 3ksf n PRO 6 Cb 0.40 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.52 5.31 -1.04 3.45 2.01 -1.26 -4.98 115.64 118.61 3ksf s THR 7 Ca 0.72 0.48 -0.12 0.00 0.31 0.00 0.00 61.69 63.08 3ksf s THR 7 Cb -0.94 -3.56 0.23 0.00 0.01 0.00 0.00 72.50 68.23 3ksf s THR 7 CO 0.55 0.51 1.08 0.21 -0.69 0.00 0.00 174.62 176.28 3ksf s ASN 8 N -0.36 7.06 0.39 3.53 3.04 -1.26 -4.87 114.94 122.48 3ksf s ASN 8 Ca 0.17 -3.10 0.15 0.00 0.04 0.00 0.00 52.86 50.12 3ksf s ASN 8 Cb -0.13 -2.26 0.82 0.00 -1.54 0.00 0.00 41.25 38.13 3ksf s ASN 8 CO 0.06 -0.52 1.86 1.88 -3.04 0.00 0.00 177.10 177.34 3ksf h TYR 9 N 7.27 0.00 -0.53 0.43 0.05 -1.96 -1.37 116.97 120.86 3ksf h TYR 9 Ca 0.18 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.86 3ksf h TYR 9 Cb 0.93 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.66 3ksf h TYR 9 CO 0.93 0.32 -0.07 1.15 -1.05 0.00 0.00 178.16 179.45 3ksf h THR 10 N 0.00 1.27 -0.30 -2.88 2.02 -1.99 0.40 112.91 111.43 3ksf h THR 10 Ca -0.00 -1.21 -0.08 0.00 0.77 0.00 0.00 66.41 65.89 3ksf h THR 10 Cb 0.60 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3ksf h THR 10 CO 0.04 0.43 -0.13 0.25 0.37 0.00 0.00 175.52 176.48 3ksf h LEU 11 N 0.85 0.63 -0.85 2.58 5.85 -1.92 -2.45 115.31 120.01 3ksf h LEU 11 Ca 0.14 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3ksf h LEU 11 Cb 0.62 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3ksf h LEU 11 CO 0.04 0.89 0.46 0.25 -0.34 0.00 0.00 178.44 179.74 3ksf h LEU 12 N 0.37 1.07 -0.76 2.25 5.85 -1.09 -0.10 115.31 122.89 3ksf h LEU 12 Ca 0.07 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3ksf h LEU 12 Cb 0.65 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3ksf h LEU 12 CO 0.04 0.87 -0.15 0.11 -0.34 0.00 0.00 178.44 178.97 3ksf h LYS 13 N 1.19 0.78 -0.42 1.25 1.57 -0.87 0.65 116.57 120.72 3ksf h LYS 13 Ca 0.30 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 3ksf h LYS 13 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3ksf h LYS 13 CO -0.05 0.89 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.23 3ksf h LYS 14 N 0.70 0.92 -0.24 3.15 3.64 -0.98 -1.91 116.57 121.85 3ksf h LYS 14 Ca 0.11 -0.43 -0.14 0.00 -1.27 0.00 0.00 60.65 58.92 3ksf h LYS 14 Cb 0.64 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3ksf h LYS 14 CO 0.05 1.09 -0.44 1.96 -2.27 0.00 0.00 179.45 179.83 3ksf h GLN 15 N 0.75 0.59 0.11 1.90 4.20 -0.87 -2.12 115.11 119.68 3ksf h GLN 15 Ca 0.09 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 3ksf h GLN 15 Cb 0.84 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3ksf h GLN 15 CO 0.07 0.92 -0.05 0.00 -0.67 0.00 0.00 178.83 179.10 3ksf h ALA 16 N 1.03 -0.15 -0.56 3.87 0.00 -0.71 0.83 119.26 123.57 3ksf h ALA 16 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ksf h ALA 16 Cb 0.96 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3ksf h ALA 16 CO 0.09 -0.57 0.36 0.00 0.00 0.00 0.00 179.25 179.13 3ksf h ALA 17 N 0.71 0.71 -0.62 0.00 0.00 -1.31 -2.31 119.26 116.44 3ksf h ALA 17 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ksf h ALA 17 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ksf h ALA 17 CO 0.03 0.13 0.20 1.03 0.00 0.00 0.00 179.25 180.64 3ksf h SER 18 N 0.74 0.90 -0.81 0.00 0.87 -1.22 -0.27 113.55 113.76 3ksf h SER 18 Ca 0.21 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3ksf h SER 18 Cb -0.06 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.62 3ksf h SER 18 CO -0.06 0.86 0.40 0.25 -0.53 0.00 0.00 176.83 177.76 3ksf h LEU 19 N 0.89 1.05 -2.61 2.23 5.85 -0.39 -3.09 115.31 119.24 3ksf h LEU 19 Ca 0.20 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3ksf h LEU 19 Cb 0.28 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3ksf h LEU 19 CO -0.01 0.88 0.00 2.30 -0.34 0.00 0.00 178.44 181.27 3ksf n ILE 20 N -4.36 0.82 -1.68 4.05 -5.35 -0.91 -4.92 119.36 107.02 3ksf n ILE 20 Ca 0.08 -0.91 -0.47 0.00 -0.27 0.00 0.00 62.75 61.18 3ksf n ILE 20 Cb 0.13 0.65 -0.04 0.00 -1.74 0.00 0.00 39.64 38.64 3ksf n ILE 20 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3ksf n GLU 21 N 0.91 2.24 -0.93 6.28 2.13 -0.12 -0.90 120.64 130.25 3ksf n GLU 21 Ca 0.15 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.79 3ksf n GLU 21 Cb 0.48 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.53 3ksf n GLU 21 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ksf n ASP 22 N 5.75 -2.18 -4.91 4.31 10.43 -1.26 -5.01 116.55 123.67 3ksf n ASP 22 Ca 0.21 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.24 3ksf n ASP 22 Cb 0.30 -1.12 -0.05 0.00 1.84 0.00 0.00 41.12 42.10 3ksf n ASP 22 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3ksf s GLU 23 N -0.47 3.49 0.00 -1.24 0.41 -0.08 -5.00 118.70 115.82 3ksf s GLU 23 Ca 0.00 -0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.28 3ksf s GLU 23 Cb 0.00 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 3ksf s GLU 23 CO 0.00 0.61 0.08 0.72 -0.49 0.00 0.00 175.26 176.18 3ksf n HIS 24 N 0.58 0.00 -2.45 1.61 8.25 -1.26 -4.80 115.22 117.14 3ksf n HIS 24 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 3ksf n HIS 24 Cb 0.52 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 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 2.57 0.14 4.41 5.04 -1.26 -4.87 115.29 121.30 3ksf s HIS 25 Ca 0.00 0.70 -0.21 0.00 -1.54 0.00 0.00 55.06 54.01 3ksf s HIS 25 Cb 0.00 -4.34 0.00 0.00 0.04 0.00 0.00 32.58 28.28 3ksf s HIS 25 CO 0.00 -1.70 1.67 1.98 -2.34 0.00 0.00 174.74 174.35 3ksf h MET 26 N 10.09 -0.13 -0.70 2.88 4.05 -1.95 -1.43 114.93 127.73 3ksf h MET 26 Ca -0.26 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.15 3ksf h MET 26 Cb 1.09 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 3ksf h MET 26 CO 1.10 -0.09 0.35 0.82 0.23 0.00 0.00 176.91 179.32 3ksf h ILE 27 N -0.14 1.22 -0.53 1.77 1.08 -1.99 0.36 117.51 119.29 3ksf h ILE 27 Ca 0.11 -0.61 -0.09 0.00 -0.39 0.00 0.00 64.86 63.88 3ksf h ILE 27 Cb 0.30 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3ksf h ILE 27 CO -0.27 0.26 -0.03 0.00 -0.69 0.00 0.00 178.15 177.42 3ksf h ALA 28 N 1.39 0.72 -0.24 1.87 0.00 -1.90 -0.52 119.26 120.58 3ksf h ALA 28 Ca 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ksf h ALA 28 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ksf h ALA 28 CO -0.03 0.57 0.08 0.82 0.00 0.00 0.00 179.25 180.68 3ksf h ILE 29 N 0.84 1.19 -0.54 0.00 2.04 -0.74 -1.35 117.51 118.95 3ksf h ILE 29 Ca 0.15 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 3ksf h ILE 29 Cb 0.57 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3ksf h ILE 29 CO 0.03 0.20 -0.00 -0.07 0.00 0.00 0.00 178.15 178.31 3ksf h LEU 30 N 0.23 0.90 0.19 1.44 3.38 -0.83 0.33 115.31 120.94 3ksf h LEU 30 Ca 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ksf h LEU 30 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ksf h LEU 30 CO -0.00 0.96 -0.09 0.28 0.09 0.00 0.00 178.44 179.68 3ksf h SER 31 N 0.86 -0.21 0.11 -0.43 0.02 -0.95 -1.09 113.55 111.85 3ksf h SER 31 Ca 0.16 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3ksf h SER 31 Cb 0.51 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3ksf h SER 31 CO 0.03 0.01 -0.24 0.78 -1.14 0.00 0.00 176.83 176.26 3ksf h ASN 32 N -0.43 0.24 0.34 3.07 2.35 -1.18 -2.75 115.58 117.21 3ksf h ASN 32 Ca -0.03 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.52 3ksf h ASN 32 Cb 0.33 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3ksf h ASN 32 CO 0.04 0.49 -0.58 0.24 -1.65 0.00 0.00 177.43 175.97 3ksf h MET 33 N 0.22 0.25 -0.52 0.81 2.86 -0.81 -0.81 114.93 116.93 3ksf h MET 33 Ca 0.04 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3ksf h MET 33 Cb 0.55 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 3ksf h MET 33 CO 0.04 0.75 0.17 0.66 1.06 0.00 0.00 176.91 179.59 3ksf h SER 34 N 0.19 0.75 -0.22 1.22 4.64 -0.92 -1.19 113.55 118.03 3ksf h SER 34 Ca -0.00 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3ksf h SER 34 Cb 1.07 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 3ksf h SER 34 CO 0.09 0.75 0.05 0.00 -0.87 0.00 0.00 176.83 176.86 3ksf h ALA 35 N 1.03 0.29 -0.34 5.18 0.00 -1.31 -0.96 119.26 123.15 3ksf h ALA 35 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ksf h ALA 35 Cb 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ksf h ALA 35 CO -0.01 -0.07 0.18 1.25 0.00 0.00 0.00 179.25 180.61 3ksf h LEU 36 N 0.17 0.28 -0.74 0.00 5.85 -1.02 0.07 115.31 119.92 3ksf h LEU 36 Ca 0.07 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3ksf h LEU 36 Cb 0.27 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3ksf h LEU 36 CO 0.00 0.21 0.32 -0.07 -0.34 0.00 0.00 178.44 178.56 3ksf h LEU 37 N 0.37 1.00 -1.01 2.25 3.38 -1.14 -2.50 115.31 117.66 3ksf h LEU 37 Ca 0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ksf h LEU 37 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3ksf h LEU 37 CO -0.08 0.88 0.21 -1.13 0.09 0.00 0.00 178.44 178.40 3ksf h ASN 38 N 1.05 0.86 0.93 -0.43 -1.24 -0.71 -1.18 115.58 114.86 3ksf h ASN 38 Ca 0.25 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3ksf h ASN 38 Cb 0.17 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.00 3ksf h ASN 38 CO -0.03 0.79 0.00 0.47 -1.29 0.00 0.00 177.43 177.38 3ksf n ASP 39 N -4.29 0.55 0.00 1.15 8.00 -0.03 -3.75 116.55 118.18 3ksf n ASP 39 Ca 0.05 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.15 3ksf n ASP 39 Cb 0.20 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 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 -2.07 0.82 -4.29 -2.24 3.02 -0.97 -4.97 115.26 104.56 3ksf n ASN 40 Ca 0.04 -0.99 -0.36 0.00 -0.03 0.00 0.00 54.58 53.24 3ksf n ASN 40 Cb 0.29 0.01 -0.13 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.03 3.44 0.47 3.41 1.43 -0.48 -4.74 118.68 122.18 3ksf s LEU 41 Ca 0.00 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 3ksf s LEU 41 Cb 0.00 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3ksf s LEU 41 CO 0.00 -0.13 0.83 -0.62 0.23 0.00 0.00 176.35 176.65 3ksf s ASP 42 N 1.44 6.40 -1.36 2.29 2.15 -1.26 -4.37 116.67 121.96 3ksf s ASP 42 Ca 0.02 1.13 -0.03 0.00 0.43 0.00 0.00 52.55 54.11 3ksf s ASP 42 Cb -0.16 -2.33 0.02 0.00 -0.30 0.00 0.00 42.92 40.14 3ksf s ASP 42 CO -0.01 -0.54 0.72 0.00 -0.17 0.00 0.00 175.17 175.18 3ksf n GLN 43 N -1.85 -4.87 -4.44 4.34 6.02 -1.26 -4.93 117.38 110.40 3ksf n GLN 43 Ca 0.03 0.59 -0.22 0.00 -0.01 0.00 0.00 57.00 57.39 3ksf n GLN 43 Cb 0.54 -5.17 -0.10 0.00 1.02 0.00 0.00 30.24 26.53 3ksf n GLN 43 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3ksf s ILE 44 N -3.63 2.05 -0.10 5.09 -4.36 -1.26 -4.34 121.20 114.65 3ksf s ILE 44 Ca 0.12 -2.26 0.06 0.00 -0.26 0.00 0.00 60.65 58.31 3ksf s ILE 44 Cb -0.06 -2.32 -0.10 0.00 1.25 0.00 0.00 42.46 41.23 3ksf s ILE 44 CO 0.82 -0.40 -0.01 -3.20 0.24 0.00 0.00 174.94 172.39 3ksf n ASN 45 N -0.57 2.79 -3.72 4.36 5.15 0.10 -4.78 115.26 118.59 3ksf n ASN 45 Ca -0.06 -0.02 -0.13 0.00 -0.60 0.00 0.00 54.58 53.76 3ksf n ASN 45 Cb 0.61 0.42 -0.09 0.00 -0.53 0.00 0.00 39.78 40.19 3ksf n ASN 45 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3ksf s TRP 46 N -2.23 -0.48 -0.14 1.20 -0.00 -1.20 -4.65 118.94 111.43 3ksf s TRP 46 Ca -0.09 1.15 -0.05 0.00 -0.00 0.00 0.00 56.10 57.11 3ksf s TRP 46 Cb 0.03 0.17 0.07 0.00 -0.00 0.00 0.00 33.47 33.74 3ksf s TRP 46 CO 0.35 -0.26 0.28 0.54 -0.00 0.00 0.00 176.95 177.87 3ksf s VAL 47 N 0.09 -0.45 0.00 5.86 0.11 -0.98 -1.56 120.40 123.48 3ksf s VAL 47 Ca -0.01 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 3ksf s VAL 47 Cb -0.03 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3ksf s VAL 47 CO 0.01 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 3ksf n GLY 48 N 5.36 1.67 3.18 6.54 0.00 -0.59 -0.82 105.19 120.53 3ksf n GLY 48 Ca -0.06 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.81 1.14 0.01 1.61 0.08 -0.51 -0.89 117.98 116.61 3ksf s PHE 49 Ca 0.00 -0.59 0.06 0.00 0.12 0.00 0.00 56.93 56.52 3ksf s PHE 49 Cb 0.00 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.81 3ksf s PHE 49 CO 0.00 0.04 -0.19 0.71 -0.10 0.00 0.00 175.22 175.67 3ksf s TYR 50 N -2.11 1.71 -0.02 0.36 1.51 -0.86 -0.27 117.35 117.67 3ksf s TYR 50 Ca 0.04 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 3ksf s TYR 50 Cb -0.05 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 3ksf s TYR 50 CO 0.01 0.01 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.74 3ksf s LEU 51 N -0.70 2.37 -0.39 -1.29 1.02 -0.05 -1.00 118.68 118.64 3ksf s LEU 51 Ca 0.07 -0.36 -0.29 0.00 0.02 0.00 0.00 54.13 53.57 3ksf s LEU 51 Cb -0.08 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.71 3ksf s LEU 51 CO 0.00 0.32 1.29 -0.22 0.02 0.00 0.00 176.35 177.76 3ksf s LEU 52 N -0.75 3.70 -0.03 1.79 2.96 -0.32 -0.70 118.68 125.33 3ksf s LEU 52 Ca 0.11 0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 54.82 3ksf s LEU 52 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.05 3ksf s LEU 52 CO 0.00 -1.25 0.13 -1.61 -1.32 0.00 0.00 176.35 172.31 3ksf s GLU 53 N 4.51 0.27 -1.31 1.98 2.02 -0.10 -4.85 118.70 121.22 3ksf s GLU 53 Ca 0.55 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.52 3ksf s GLU 53 Cb -0.13 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.22 3ksf s GLU 53 CO 0.28 -0.05 0.00 1.04 0.02 0.00 0.00 175.26 176.55 3ksf n GLN 54 N 2.45 -1.95 -2.10 1.61 1.13 -1.26 -1.40 117.38 115.87 3ksf n GLN 54 Ca -0.16 0.74 -0.10 0.00 -1.94 0.00 0.00 57.00 55.54 3ksf n GLN 54 Cb 0.58 -5.30 -0.01 0.00 0.11 0.00 0.00 30.24 25.62 3ksf n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3ksf n ASN 55 N -1.66 -3.53 -3.99 1.08 4.05 -1.26 -5.01 115.26 104.94 3ksf n ASN 55 Ca -0.17 0.02 -0.09 0.00 0.45 0.00 0.00 54.58 54.79 3ksf n ASN 55 Cb 0.61 -2.69 -0.05 0.00 1.23 0.00 0.00 39.78 38.88 3ksf n ASN 55 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3ksf s GLU 56 N -4.33 1.55 -0.13 1.20 -1.05 -0.49 -4.57 118.70 110.88 3ksf s GLU 56 Ca 0.00 -1.26 -0.16 0.00 -0.15 0.00 0.00 54.97 53.39 3ksf s GLU 56 Cb 0.00 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 3ksf s GLU 56 CO 0.00 -0.64 0.40 -0.51 0.95 0.00 0.00 175.26 175.46 3ksf s LEU 57 N -3.02 4.27 -0.09 1.83 1.43 0.15 -0.92 118.68 122.32 3ksf s LEU 57 Ca 0.23 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 3ksf s LEU 57 Cb -0.01 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 3ksf s LEU 57 CO 0.09 0.05 -0.23 -0.63 0.23 0.00 0.00 176.35 175.86 3ksf s ILE 58 N 0.51 1.98 0.14 -0.59 1.01 0.12 -1.37 121.20 123.01 3ksf s ILE 58 Ca 0.22 -0.99 -0.34 0.00 0.00 0.00 0.00 60.65 59.55 3ksf s ILE 58 Cb -0.14 -1.71 -0.16 0.00 0.01 0.00 0.00 42.46 40.46 3ksf s ILE 58 CO 0.08 0.54 1.18 -0.11 0.00 0.00 0.00 174.94 176.64 3ksf n LEU 59 N 3.43 1.41 0.00 2.97 7.94 -0.22 -0.87 117.00 131.66 3ksf n LEU 59 Ca -0.19 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3ksf n LEU 59 Cb 0.53 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.29 3ksf n LEU 59 CO 0.27 -1.31 0.00 0.61 -1.11 0.00 0.00 177.39 175.85 3ksf n GLY 60 N 2.11 4.59 3.63 -3.96 0.00 0.63 -4.79 105.19 107.39 3ksf n GLY 60 Ca 0.16 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 1.61 -3.76 1.61 -0.02 -1.26 -4.48 135.00 128.70 3ksf n PRO 61 Ca 0.00 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 3ksf n PRO 61 Cb 0.00 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.11 -0.25 -0.19 6.00 -0.12 -1.26 -1.42 117.98 119.63 3ksf s PHE 62 Ca 0.58 -0.14 0.01 0.00 -0.05 0.00 0.00 56.93 57.33 3ksf s PHE 62 Cb -0.63 0.67 0.02 0.00 -0.63 0.00 0.00 43.02 42.45 3ksf s PHE 62 CO 0.60 -1.11 -0.17 -0.65 -0.05 0.00 0.00 175.22 173.84 3ksf s GLN 63 N -3.80 2.97 0.00 1.99 -1.52 0.00 -4.95 119.66 114.35 3ksf s GLN 63 Ca 0.09 -0.85 0.00 0.00 -1.95 0.00 0.00 55.36 52.65 3ksf s GLN 63 Cb -0.04 -2.65 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 3ksf s GLN 63 CO 0.02 -0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.23 3ksf n GLY 64 N 4.63 0.38 3.89 3.09 0.00 -1.26 -2.31 105.19 113.61 3ksf n GLY 64 Ca -0.20 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.19 3.49 0.34 1.61 3.76 -1.26 -5.01 115.29 115.02 3ksf s HIS 65 Ca 0.00 0.89 -0.25 0.00 -0.15 0.00 0.00 55.06 55.55 3ksf s HIS 65 Cb 0.00 -2.32 -0.14 0.00 1.11 0.00 0.00 32.58 31.23 3ksf s HIS 65 CO 0.00 -0.07 0.70 -2.30 -0.85 0.00 0.00 174.74 172.22 3ksf n PRO 66 N -1.41 0.73 -4.44 8.40 -0.02 -1.26 -4.99 135.00 132.01 3ksf n PRO 66 Ca 0.01 0.26 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 3ksf n PRO 66 Cb 0.54 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.24 2.49 0.26 3.55 0.00 -1.26 -5.12 121.76 120.43 3ksf s ALA 67 Ca 0.62 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 3ksf s ALA 67 Cb -0.70 0.86 -0.10 0.00 0.00 0.00 0.00 23.12 23.18 3ksf s ALA 67 CO 0.58 -0.38 1.45 0.00 0.00 0.00 0.00 175.76 177.41 3ksf h VAL 69 N 3.49 1.52 -3.36 0.00 2.07 -1.98 -3.41 116.25 114.58 3ksf h VAL 69 Ca -0.46 -2.54 -0.64 0.00 0.82 0.00 0.00 66.70 63.88 3ksf h VAL 69 Cb 1.22 3.21 -0.24 0.00 -1.52 0.00 0.00 31.29 33.97 3ksf h VAL 69 CO 0.77 0.72 -0.68 -1.00 0.02 0.00 0.00 177.57 177.39 3ksf s HIS 70 N -2.42 2.99 -0.16 1.57 3.76 -1.26 -1.06 115.29 118.72 3ksf s HIS 70 Ca -0.14 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 54.29 3ksf s HIS 70 Cb 0.01 -2.00 0.04 0.00 1.11 0.00 0.00 32.58 31.73 3ksf s HIS 70 CO 0.83 -0.19 -0.04 0.42 -0.85 0.00 0.00 174.74 174.90 3ksf s ILE 71 N 0.72 1.00 0.65 0.60 1.01 -0.47 -5.01 121.20 119.70 3ksf s ILE 71 Ca -0.02 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 59.94 3ksf s ILE 71 Cb -0.14 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3ksf s ILE 71 CO 0.02 0.14 1.10 -2.84 0.00 0.00 0.00 174.94 173.36 3ksf s PRO 72 N 1.68 2.89 0.28 2.79 0.02 -1.26 -0.68 135.00 140.72 3ksf s PRO 72 Ca 0.01 1.35 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 3ksf s PRO 72 Cb -0.15 -1.96 -0.11 0.00 0.02 0.00 0.00 34.50 32.30 3ksf s PRO 72 CO -0.08 -1.18 1.49 0.42 -0.33 0.00 0.00 177.00 177.33 3ksf s ILE 73 N -2.37 2.38 0.00 2.83 1.01 -1.26 -2.06 121.20 121.73 3ksf s ILE 73 Ca 0.66 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3ksf s ILE 73 Cb -0.20 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3ksf s ILE 73 CO 0.41 0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3ksf n GLY 74 N 1.90 1.11 3.56 6.18 0.00 0.73 -4.94 105.19 113.73 3ksf n GLY 74 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3ksf n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ksf s LYS 75 N -0.14 3.71 0.16 1.61 2.47 -0.87 -4.39 119.74 122.29 3ksf s LYS 75 Ca 0.00 -0.45 0.00 0.00 -1.56 0.00 0.00 55.97 53.96 3ksf s LYS 75 Cb 0.00 -3.00 0.00 0.00 -1.46 0.00 0.00 37.83 33.37 3ksf s LYS 75 CO 0.00 0.30 0.00 0.41 0.16 0.00 0.00 175.35 176.22 3ksf n GLY 76 N 3.39 -1.58 0.28 5.54 0.00 -1.26 -0.86 105.19 110.70 3ksf n GLY 76 Ca -0.17 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.65 1.20 -0.15 1.61 2.07 -1.91 -0.24 116.25 118.18 3ksf h VAL 77 Ca 0.01 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 3ksf h VAL 77 Cb 0.64 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3ksf h VAL 77 CO 0.01 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.70 3ksf h GLY 79 N -0.00 0.63 1.20 0.00 0.00 -0.85 -2.24 103.07 101.80 3ksf h GLY 79 Ca 0.03 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 3ksf h GLY 79 CO 0.03 0.30 -0.49 -0.84 0.00 0.00 0.00 176.54 175.54 3ksf h THR 80 N 0.59 1.28 -0.99 4.70 2.02 -0.97 0.24 112.91 119.77 3ksf h THR 80 Ca 0.14 -1.67 0.08 0.00 0.77 0.00 0.00 66.41 65.73 3ksf h THR 80 Cb 0.16 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.05 3ksf h THR 80 CO -0.01 0.55 0.64 0.00 0.37 0.00 0.00 175.52 177.06 3ksf h ALA 81 N 0.77 1.45 0.09 6.16 0.00 -0.76 0.26 119.26 127.23 3ksf h ALA 81 Ca 0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 3ksf h ALA 81 Cb 1.08 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ksf h ALA 81 CO 0.11 0.38 -1.17 -0.39 0.00 0.00 0.00 179.25 178.19 3ksf h VAL 82 N 1.12 1.36 -0.14 0.00 -1.51 -1.25 0.42 116.25 116.25 3ksf h VAL 82 Ca 0.44 -2.60 -0.13 0.00 -1.23 0.00 0.00 66.70 63.19 3ksf h VAL 82 Cb 0.24 2.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.07 3ksf h VAL 82 CO -0.19 0.78 -0.46 0.77 -1.23 0.00 0.00 177.57 177.24 3ksf h SER 83 N 0.22 0.36 0.83 4.19 4.64 -0.92 -2.96 113.55 119.91 3ksf h SER 83 Ca -0.15 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 60.86 3ksf h SER 83 Cb 1.84 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 3ksf h SER 83 CO 0.21 0.78 -1.25 -0.33 -0.87 0.00 0.00 176.83 175.37 3ksf h GLU 84 N 0.28 0.00 -2.93 4.77 5.08 -1.02 -3.48 114.58 117.27 3ksf h GLU 84 Ca 0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 3ksf h GLU 84 Cb 0.92 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.21 3ksf h GLU 84 CO 0.08 0.27 -0.37 0.54 -1.00 0.00 0.00 179.01 178.52 3ksf n ARG 85 N -2.90 -3.02 -4.02 2.33 1.74 0.14 -5.02 116.66 105.92 3ksf n ARG 85 Ca -0.07 0.57 -0.08 0.00 -0.77 0.00 0.00 57.85 57.49 3ksf n ARG 85 Cb 0.79 -4.71 -0.10 0.00 -1.02 0.00 0.00 32.46 27.42 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 -5.24 0.49 0.36 5.56 0.52 -0.80 -4.96 118.95 114.88 3ksf s ARG 86 Ca 0.19 -0.91 -0.28 0.00 -0.52 0.00 0.00 55.73 54.20 3ksf s ARG 86 Cb -0.08 0.17 -0.11 0.00 0.52 0.00 0.00 34.95 35.45 3ksf s ARG 86 CO 0.23 -0.09 1.47 0.99 0.02 0.00 0.00 175.30 177.91 3ksf s THR 87 N -2.76 2.15 -0.21 0.02 2.01 -1.26 -4.49 115.64 111.10 3ksf s THR 87 Ca -0.04 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 3ksf s THR 87 Cb -0.00 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.41 3ksf s THR 87 CO -0.06 0.04 -0.08 -1.10 -0.69 0.00 0.00 174.62 172.73 3ksf s GLN 88 N -1.94 3.26 -0.25 4.92 -1.52 0.05 -4.98 119.66 119.20 3ksf s GLN 88 Ca 0.53 -0.69 -0.03 0.00 -1.95 0.00 0.00 55.36 53.22 3ksf s GLN 88 Cb -0.46 -2.90 0.02 0.00 -0.22 0.00 0.00 33.01 29.45 3ksf s GLN 88 CO 0.61 -0.21 -0.03 0.08 -0.25 0.00 0.00 175.29 175.49 3ksf s VAL 89 N 1.42 3.19 -0.26 1.09 1.01 -1.26 -1.22 120.40 124.37 3ksf s VAL 89 Ca 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3ksf s VAL 89 Cb -0.14 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.69 3ksf s VAL 89 CO -0.06 0.22 -0.06 -0.69 0.00 0.00 0.00 175.10 174.52 3ksf s VAL 90 N 1.39 2.72 0.21 2.92 1.01 0.48 -4.99 120.40 124.15 3ksf s VAL 90 Ca 0.02 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.77 3ksf s VAL 90 Cb -0.16 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 3ksf s VAL 90 CO -0.03 0.08 1.52 0.00 0.00 0.00 0.00 175.10 176.67 3ksf h ALA 91 N 7.96 0.75 -2.54 5.51 0.00 -1.88 -1.77 119.26 127.30 3ksf h ALA 91 Ca -0.27 -0.55 -0.33 0.00 0.00 0.00 0.00 54.91 53.76 3ksf h ALA 91 Cb 1.08 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 18.43 3ksf h ALA 91 CO 0.54 0.73 -0.63 0.34 0.00 0.00 0.00 179.25 180.23 3ksf s ASP 92 N -6.92 1.46 0.48 0.00 3.68 -1.26 -0.03 116.67 114.09 3ksf s ASP 92 Ca -0.05 -0.28 0.25 0.00 2.13 0.00 0.00 52.55 54.60 3ksf s ASP 92 Cb 0.11 0.35 1.30 0.00 -1.45 0.00 0.00 42.92 43.23 3ksf s ASP 92 CO 0.82 -0.33 1.87 0.58 0.13 0.00 0.00 175.17 178.23 3ksf h VAL 93 N 6.32 0.59 0.00 1.11 2.07 0.15 -0.39 116.25 126.10 3ksf h VAL 93 Ca -0.17 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3ksf h VAL 93 Cb 1.15 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3ksf h VAL 93 CO 0.29 0.03 -0.02 0.45 0.02 0.00 0.00 177.57 178.35 3ksf h HIS 94 N 0.19 0.00 -0.72 1.57 3.86 -1.92 -2.67 115.15 115.46 3ksf h HIS 94 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 3ksf h HIS 94 Cb 1.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.97 3ksf h HIS 94 CO -0.00 0.02 0.00 1.04 0.86 0.00 0.00 177.93 179.84 3ksf n GLN 95 N -3.14 2.74 -3.57 2.45 1.13 -0.16 -4.86 117.38 111.97 3ksf n GLN 95 Ca -0.01 -2.64 -0.40 0.00 -1.94 0.00 0.00 57.00 52.01 3ksf n GLN 95 Cb 0.22 -1.55 -0.11 0.00 0.11 0.00 0.00 30.24 28.91 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 -1.00 3.22 -0.43 1.08 2.19 -1.01 -5.01 117.98 117.02 3ksf s PHE 96 Ca 0.48 -0.47 -0.40 0.00 0.33 0.00 0.00 56.93 56.87 3ksf s PHE 96 Cb 0.25 -2.45 -0.15 0.00 -1.31 0.00 0.00 43.02 39.35 3ksf s PHE 96 CO 0.33 -0.46 2.15 1.17 1.83 0.00 0.00 175.22 180.24 3ksf n LYS 97 N 5.06 0.52 -2.13 10.12 3.00 -1.26 -3.96 118.16 129.50 3ksf n LYS 97 Ca -0.13 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 3ksf n LYS 97 Cb 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.56 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 6.99 -5.47 3.92 3.14 0.00 -1.26 -4.77 105.19 107.74 3ksf n GLY 98 Ca 0.48 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.52 2.93 0.00 1.61 2.46 -1.25 -4.04 115.29 116.48 3ksf s HIS 99 Ca 0.00 -0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.21 3ksf s HIS 99 Cb 0.00 -1.99 0.00 0.00 -0.13 0.00 0.00 32.58 30.46 3ksf s HIS 99 CO 0.00 0.00 0.00 0.44 -2.47 0.00 0.00 174.74 172.71 3ksf n ILE 100 N -1.54 0.00 -0.25 0.89 -5.35 -1.26 -4.65 119.36 107.19 3ksf n ILE 100 Ca 0.01 0.00 0.20 0.00 -0.27 0.00 0.00 62.75 62.68 3ksf n ILE 100 Cb 0.59 -0.02 0.51 0.00 -1.74 0.00 0.00 39.64 38.98 3ksf n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ksf h ALA 101 N -2.00 2.21 -3.83 -1.28 0.00 -2.00 -3.46 119.26 108.90 3ksf h ALA 101 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 3ksf h ALA 101 Cb 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 17.83 3ksf h ALA 101 CO 0.00 -0.51 -0.49 0.00 0.00 0.00 0.00 179.25 178.25 3ksf n ASP 103 N -1.70 3.88 0.00 0.00 2.03 -1.26 -4.83 116.55 114.67 3ksf n ASP 103 Ca -0.07 1.08 0.02 0.00 0.52 0.00 0.00 54.79 56.33 3ksf n ASP 103 Cb 0.59 -1.56 0.09 0.00 -0.72 0.00 0.00 41.12 39.51 3ksf n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ksf n ALA 104 N 3.55 1.33 -0.22 -1.67 0.00 -1.26 -1.26 120.51 120.98 3ksf n ALA 104 Ca 0.15 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.63 3ksf n ALA 104 Cb 0.35 -1.06 0.17 0.00 0.00 0.00 0.00 19.45 18.91 3ksf n ALA 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ksf n ASN 105 N -1.33 3.04 -4.15 0.00 5.15 -1.26 -4.91 115.26 111.80 3ksf n ASN 105 Ca 0.02 -2.03 -0.34 0.00 -0.60 0.00 0.00 54.58 51.62 3ksf n ASN 105 Cb 0.03 -0.26 -0.14 0.00 -0.53 0.00 0.00 39.78 38.88 3ksf n ASN 105 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3ksf s SER 106 N -1.03 4.70 -0.25 1.20 1.04 -0.39 -2.90 113.70 116.08 3ksf s SER 106 Ca 0.26 -1.26 0.02 0.00 0.48 0.00 0.00 55.95 55.45 3ksf s SER 106 Cb 0.14 -1.66 -0.17 0.00 0.10 0.00 0.00 66.02 64.43 3ksf s SER 106 CO 0.17 -0.23 -0.23 0.29 0.98 0.00 0.00 173.24 174.23 3ksf n LYS 107 N 4.58 0.64 -4.37 4.02 4.76 0.26 -4.79 118.16 123.26 3ksf n LYS 107 Ca -0.14 0.15 -0.19 0.00 -2.87 0.00 0.00 58.31 55.26 3ksf n LYS 107 Cb 0.43 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 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 -6.47 2.10 0.03 4.39 1.04 -1.12 0.82 113.70 114.49 3ksf s SER 108 Ca -0.34 -1.24 -0.27 0.00 0.48 0.00 0.00 55.95 54.57 3ksf s SER 108 Cb 0.09 -0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.26 3ksf s SER 108 CO 0.59 -0.50 0.77 -0.70 0.98 0.00 0.00 173.24 174.38 3ksf s GLU 109 N -3.84 0.99 -0.03 4.02 2.12 -0.67 -1.43 118.70 119.87 3ksf s GLU 109 Ca 0.30 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 3ksf s GLU 109 Cb 0.06 0.46 0.02 0.00 0.26 0.00 0.00 34.13 34.93 3ksf s GLU 109 CO 0.11 -0.41 0.05 -1.50 -0.54 0.00 0.00 175.26 172.97 3ksf s ILE 110 N -2.89 -0.04 -0.09 -3.70 2.07 -0.43 -0.39 121.20 115.73 3ksf s ILE 110 Ca 0.01 0.14 0.01 0.00 -1.41 0.00 0.00 60.65 59.40 3ksf s ILE 110 Cb -0.01 -0.10 0.02 0.00 0.13 0.00 0.00 42.46 42.50 3ksf s ILE 110 CO -0.07 0.06 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.21 3ksf s VAL 111 N 0.75 1.20 -0.19 4.00 1.01 -0.36 -1.58 120.40 125.23 3ksf s VAL 111 Ca -0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 3ksf s VAL 111 Cb -0.09 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3ksf s VAL 111 CO -0.03 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 174.61 3ksf s VAL 112 N 1.06 2.37 0.45 2.92 1.01 0.20 -0.77 120.40 127.64 3ksf s VAL 112 Ca -0.07 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 3ksf s VAL 112 Cb -0.15 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 3ksf s VAL 112 CO -0.01 0.50 1.27 -2.16 0.00 0.00 0.00 175.10 174.70 3ksf s PRO 113 N 1.33 3.76 -0.14 2.72 0.04 -1.26 -0.52 135.00 140.93 3ksf s PRO 113 Ca 0.05 2.06 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 3ksf s PRO 113 Cb -0.13 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3ksf s PRO 113 CO -0.11 -0.63 -0.11 0.42 0.04 0.00 0.00 177.00 176.61 3ksf s ILE 114 N -1.35 3.24 0.16 0.56 1.01 0.16 -4.87 121.20 120.12 3ksf s ILE 114 Ca 0.61 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.77 3ksf s ILE 114 Cb -0.36 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3ksf s ILE 114 CO 0.44 0.52 -0.15 -0.36 0.00 0.00 0.00 174.94 175.40 3ksf s PHE 115 N 0.37 2.55 -0.17 3.97 0.40 -1.26 -0.77 117.98 123.07 3ksf s PHE 115 Ca -0.09 -0.25 -0.06 0.00 -0.60 0.00 0.00 56.93 55.92 3ksf s PHE 115 Cb -0.15 -1.28 0.08 0.00 0.51 0.00 0.00 43.02 42.17 3ksf s PHE 115 CO 0.05 0.47 0.35 0.21 0.70 0.00 0.00 175.22 177.00 3ksf s LYS 116 N -2.58 0.24 -1.35 0.44 2.20 -0.50 -4.80 119.74 113.39 3ksf s LYS 116 Ca 0.22 0.91 -0.07 0.00 -0.36 0.00 0.00 55.97 56.67 3ksf s LYS 116 Cb -0.09 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3ksf s LYS 116 CO 0.13 -0.27 1.06 -0.25 -0.36 0.00 0.00 175.35 175.66 3ksf n ASP 117 N 5.37 -4.55 0.00 1.43 8.00 -1.26 -1.87 116.55 123.68 3ksf n ASP 117 Ca -0.07 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3ksf n ASP 117 Cb 0.50 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.85 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 -3.02 -4.31 -4.45 -2.24 8.00 -1.26 -4.97 116.55 104.30 3ksf n ASP 118 Ca -0.09 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.09 3ksf n ASP 118 Cb 0.59 -2.65 -0.14 0.00 -0.02 0.00 0.00 41.12 38.90 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 -1.40 2.53 0.14 -1.24 1.02 -0.78 -5.09 119.74 114.91 3ksf s LYS 119 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3ksf s LYS 119 Cb 0.00 -2.36 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 3ksf s LYS 119 CO 0.00 0.58 1.24 0.42 -0.92 0.00 0.00 175.35 176.67 3ksf s ILE 120 N -0.62 3.63 -0.15 2.17 1.01 -1.26 -1.40 121.20 124.58 3ksf s ILE 120 Ca 0.09 1.27 0.01 0.00 0.00 0.00 0.00 60.65 62.03 3ksf s ILE 120 Cb -0.11 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3ksf s ILE 120 CO 0.01 0.16 0.49 2.30 0.00 0.00 0.00 174.94 177.89 3ksf n ILE 121 N 3.16 0.00 -3.84 2.92 -5.35 0.05 -4.88 119.36 111.42 3ksf n ILE 121 Ca 0.07 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3ksf n ILE 121 Cb 0.45 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.17 -1.32 3.15 3.28 0.00 -1.23 -1.18 105.19 108.06 3ksf n GLY 122 Ca 0.01 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 0.11 -0.24 1.61 -7.23 -0.17 -0.66 120.40 110.81 3ksf s VAL 123 Ca 0.00 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.17 3ksf s VAL 123 Cb 0.00 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.11 3ksf s VAL 123 CO 0.00 -0.49 0.23 -0.22 -0.31 0.00 0.00 175.10 174.31 3ksf s LEU 124 N -1.90 4.11 -0.12 1.32 2.96 0.32 -2.04 118.68 123.34 3ksf s LEU 124 Ca -0.08 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3ksf s LEU 124 Cb -0.03 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.46 3ksf s LEU 124 CO -0.02 0.01 -0.19 -0.62 -1.32 0.00 0.00 176.35 174.21 3ksf s ASP 125 N 1.14 2.76 -0.06 3.68 2.15 -0.07 -0.63 116.67 125.64 3ksf s ASP 125 Ca 0.10 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.58 3ksf s ASP 125 Cb -0.14 -1.26 0.02 0.00 -0.30 0.00 0.00 42.92 41.24 3ksf s ASP 125 CO 0.06 0.06 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.44 3ksf s ILE 126 N 0.82 0.66 0.34 4.11 1.01 -0.62 -1.55 121.20 125.98 3ksf s ILE 126 Ca -0.09 -0.14 0.09 0.00 0.00 0.00 0.00 60.65 60.52 3ksf s ILE 126 Cb -0.16 -0.70 -0.07 0.00 0.01 0.00 0.00 42.46 41.55 3ksf s ILE 126 CO -0.00 0.27 -0.09 1.51 0.00 0.00 0.00 174.94 176.63 3ksf s ASP 127 N 1.27 3.67 0.03 3.58 1.47 -0.60 -1.32 116.67 124.76 3ksf s ASP 127 Ca -0.05 -1.21 -0.02 0.00 1.18 0.00 0.00 52.55 52.45 3ksf s ASP 127 Cb -0.14 -0.34 -0.02 0.00 -0.34 0.00 0.00 42.92 42.08 3ksf s ASP 127 CO -0.02 -0.22 0.01 0.00 0.68 0.00 0.00 175.17 175.62 3ksf s ALA 128 N -2.64 0.14 -2.00 2.11 0.00 -0.51 0.02 121.76 118.87 3ksf s ALA 128 Ca 0.32 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.64 3ksf s ALA 128 Cb 0.03 0.20 0.29 0.00 0.00 0.00 0.00 23.12 23.64 3ksf s ALA 128 CO 0.16 -0.25 1.13 -0.35 0.00 0.00 0.00 175.76 176.45 3ksf n PRO 129 N 1.06 0.93 -3.99 0.00 -0.04 -1.14 0.91 135.00 132.73 3ksf n PRO 129 Ca -0.20 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 3ksf n PRO 129 Cb 0.57 -1.08 -0.13 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.20 0.79 0.52 -4.36 -1.26 -4.62 121.20 110.47 3ksf s ILE 130 Ca 0.07 -0.49 -0.11 0.00 -0.26 0.00 0.00 60.65 59.86 3ksf s ILE 130 Cb 0.03 -0.24 0.07 0.00 1.25 0.00 0.00 42.46 43.57 3ksf s ILE 130 CO 0.06 -0.19 1.11 0.42 0.24 0.00 0.00 174.94 176.58 3ksf s THR 131 N -0.69 2.97 -1.48 8.37 -4.23 -1.26 -3.48 115.64 115.83 3ksf s THR 131 Ca -0.06 0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 3ksf s THR 131 Cb -0.05 -2.73 0.07 0.00 1.34 0.00 0.00 72.50 71.13 3ksf s THR 131 CO -0.00 -0.38 0.87 0.47 -0.54 0.00 0.00 174.62 175.03 3ksf n ASP 132 N -3.48 -4.93 -0.07 3.99 9.92 0.96 -4.89 116.55 118.04 3ksf n ASP 132 Ca 0.10 -0.63 -0.14 0.00 -0.53 0.00 0.00 54.79 53.59 3ksf n ASP 132 Cb 0.52 -3.95 -0.05 0.00 -0.64 0.00 0.00 41.12 37.00 3ksf n ASP 132 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3ksf h ARG 133 N -1.86 0.69 -5.94 -1.24 9.65 -1.82 -3.44 114.38 110.42 3ksf h ARG 133 Ca -0.55 -0.42 -0.68 0.00 -1.10 0.00 0.00 59.98 57.23 3ksf h ARG 133 Cb 1.36 0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 29.83 3ksf h ARG 133 CO 0.63 1.04 -0.62 -0.06 2.80 0.00 0.00 179.97 183.76 3ksf s PHE 134 N -4.15 3.15 0.10 2.20 0.08 -1.26 -5.04 117.98 113.06 3ksf s PHE 134 Ca -0.12 0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.11 3ksf s PHE 134 Cb 0.08 -1.80 -0.00 0.00 -0.57 0.00 0.00 43.02 40.73 3ksf s PHE 134 CO 0.84 0.44 0.04 -0.40 -0.10 0.00 0.00 175.22 176.04 3ksf n ASP 135 N 2.23 0.99 -0.04 1.36 5.68 -1.26 -4.83 116.55 120.68 3ksf n ASP 135 Ca -0.19 -1.53 0.18 0.00 -0.50 0.00 0.00 54.79 52.76 3ksf n ASP 135 Cb 0.54 0.25 0.63 0.00 -1.14 0.00 0.00 41.12 41.40 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 0.40 0.12 -0.31 -1.12 3.32 -1.99 -0.48 116.42 116.35 3ksf h ASP 136 Ca -0.08 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 3ksf h ASP 136 Cb 0.29 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ksf h ASP 136 CO 0.12 0.07 -0.35 -1.13 -1.72 0.00 0.00 179.24 176.23 3ksf h ASN 137 N 0.13 0.85 -0.48 6.45 -0.73 -1.99 -0.79 115.58 119.02 3ksf h ASN 137 Ca 0.28 -0.48 -0.12 0.00 1.87 0.00 0.00 56.30 57.85 3ksf h ASN 137 Cb 0.92 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 3ksf h ASN 137 CO -0.04 1.16 -0.17 0.44 -0.37 0.00 0.00 177.43 178.46 3ksf h ASP 138 N 0.56 0.99 -0.34 1.15 3.32 -1.69 -2.35 116.42 118.06 3ksf h ASP 138 Ca 0.05 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.77 3ksf h ASP 138 Cb 0.93 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3ksf h ASP 138 CO 0.08 1.13 0.17 0.50 -1.72 0.00 0.00 179.24 179.41 3ksf h LYS 139 N 0.86 0.35 -0.30 3.56 3.64 -0.99 0.20 116.57 123.88 3ksf h LYS 139 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3ksf h LYS 139 Cb 0.73 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3ksf h LYS 139 CO 0.06 0.23 0.20 1.49 -2.27 0.00 0.00 179.45 179.16 3ksf h GLU 140 N 0.36 0.40 0.00 1.90 4.81 -0.92 -1.91 114.58 119.22 3ksf h GLU 140 Ca 0.14 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.17 3ksf h GLU 140 Cb 0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3ksf h GLU 140 CO -0.09 0.26 -0.84 0.45 -0.73 0.00 0.00 179.01 178.06 3ksf h HIS 141 N 0.41 0.00 0.00 0.92 3.86 -1.29 -2.80 115.15 116.26 3ksf h HIS 141 Ca 0.11 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 3ksf h HIS 141 Cb -0.05 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3ksf h HIS 141 CO -0.06 0.84 -0.66 -0.07 0.86 0.00 0.00 177.93 178.84 3ksf h LEU 142 N 0.00 0.00 -0.39 2.43 3.38 -0.93 -0.90 115.31 118.90 3ksf h LEU 142 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3ksf h LEU 142 Cb 1.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 3ksf h LEU 142 CO 0.11 0.66 -0.59 -0.33 0.09 0.00 0.00 178.44 178.38 3ksf h GLU 143 N 0.00 0.69 -0.53 1.13 5.08 -1.35 -1.23 114.58 118.37 3ksf h GLU 143 Ca -0.01 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 3ksf h GLU 143 Cb 1.20 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3ksf h GLU 143 CO 0.09 1.08 0.00 0.00 -1.00 0.00 0.00 179.01 179.18 3ksf h ALA 144 N 0.82 1.01 -0.50 3.43 0.00 -1.27 -1.14 119.26 121.61 3ksf h ALA 144 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3ksf h ALA 144 Cb 1.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3ksf h ALA 144 CO 0.12 0.61 -0.08 0.82 0.00 0.00 0.00 179.25 180.72 3ksf h ILE 145 N 0.83 1.26 -0.57 0.00 2.04 -0.98 -1.74 117.51 118.35 3ksf h ILE 145 Ca 0.16 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 3ksf h ILE 145 Cb 0.49 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3ksf h ILE 145 CO 0.02 0.41 0.23 0.58 0.00 0.00 0.00 178.15 179.40 3ksf h VAL 146 N 0.82 1.20 -0.61 1.67 2.07 -0.65 -1.71 116.25 119.04 3ksf h VAL 146 Ca 0.14 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 3ksf h VAL 146 Cb 0.60 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3ksf h VAL 146 CO 0.04 0.25 0.08 0.11 0.02 0.00 0.00 177.57 178.07 3ksf h LYS 147 N 0.81 1.01 -0.91 1.57 1.57 -0.59 0.32 116.57 120.36 3ksf h LYS 147 Ca 0.20 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3ksf h LYS 147 Cb 0.15 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 3ksf h LYS 147 CO -0.02 0.95 0.57 0.82 -0.57 0.00 0.00 179.45 181.20 3ksf h ILE 148 N 0.95 1.04 0.00 1.86 2.04 -0.47 -0.96 117.51 121.97 3ksf h ILE 148 Ca 0.19 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3ksf h ILE 148 Cb 0.44 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3ksf h ILE 148 CO 0.01 0.19 -0.00 0.40 0.00 0.00 0.00 178.15 178.75 3ksf h ILE 149 N 1.03 1.24 -0.95 -0.67 2.04 -0.86 -3.08 117.51 116.26 3ksf h ILE 149 Ca 0.41 -0.72 0.20 0.00 1.00 0.00 0.00 64.86 65.74 3ksf h ILE 149 Cb 0.21 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 3ksf h ILE 149 CO -0.19 0.19 0.61 -0.33 0.00 0.00 0.00 178.15 178.43 3ksf h GLU 150 N -0.31 0.53 -0.40 2.37 5.08 -0.28 -0.29 114.58 121.28 3ksf h GLU 150 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3ksf h GLU 150 Cb 0.31 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3ksf h GLU 150 CO 0.00 0.35 0.07 0.87 -1.00 0.00 0.00 179.01 179.30 3ksf h LYS 151 N 0.54 0.60 0.00 2.33 1.79 -1.10 -0.49 116.57 120.24 3ksf h LYS 151 Ca 0.52 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3ksf h LYS 151 Cb 1.09 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 3ksf h LYS 151 CO -0.25 0.57 -0.00 1.96 -1.08 0.00 0.00 179.45 180.65 3ksf h GLN 152 N 0.59 0.00 -0.00 3.15 1.08 -1.09 -3.22 115.11 115.61 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 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3ksf h GLN 152 CO 0.00 0.00 -0.68 1.28 -0.95 0.00 0.00 178.83 178.48 3ksf n LEU 153 N -3.06 1.17 0.00 1.46 4.77 -0.88 -4.57 117.00 115.90 3ksf n LEU 153 Ca 0.04 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3ksf n LEU 153 Cb 0.52 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3ksf n LEU 153 CO 0.34 0.25 0.20 0.00 -1.33 0.00 0.00 177.39 176.85