#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wor s ASN 2 N 0.00 5.61 1.01 -3.46 0.01 -1.26 -5.01 114.94 111.84 2wor s ASN 2 Ca 0.00 2.78 -0.16 0.00 -0.71 0.00 0.00 52.86 54.77 2wor s ASN 2 Cb 0.00 -2.64 0.20 0.00 0.41 0.00 0.00 41.25 39.22 2wor s ASN 2 CO 0.00 -1.34 1.20 0.42 -1.51 0.00 0.00 177.10 175.87 2wor s THR 3 N -1.28 1.88 0.26 1.60 -4.23 -1.26 -4.78 115.64 107.83 2wor s THR 3 Ca 0.66 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 2wor s THR 3 Cb -0.41 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 70.85 2wor s THR 3 CO 0.50 0.00 1.85 1.56 -0.54 0.00 0.00 174.62 177.99 2wor h GLN 4 N -1.84 1.08 -0.53 3.99 4.20 -1.99 0.11 115.11 120.13 2wor h GLN 4 Ca -0.46 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 57.97 2wor h GLN 4 Cb 1.28 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 2wor h GLN 4 CO 0.45 0.84 -0.14 0.00 -0.67 0.00 0.00 178.83 179.31 2wor h ALA 5 N 1.32 0.74 -0.37 3.87 0.00 -1.99 -0.75 119.26 122.07 2wor h ALA 5 Ca 0.26 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2wor h ALA 5 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2wor h ALA 5 CO -0.03 0.68 -0.25 0.93 0.00 0.00 0.00 179.25 180.57 2wor h GLU 6 N 0.91 0.82 -0.36 0.00 5.08 -1.83 -2.09 114.58 117.12 2wor h GLU 6 Ca 0.13 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2wor h GLU 6 Cb 0.71 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2wor h GLU 6 CO 0.05 1.03 0.16 0.00 -1.00 0.00 0.00 179.01 179.26 2wor h ARG 7 N 0.62 0.50 -0.31 2.33 3.08 -0.65 -0.87 114.38 119.08 2wor h ARG 7 Ca 0.07 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2wor h ARG 7 Cb 0.82 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2wor h ARG 7 CO 0.07 0.40 -0.09 0.77 -1.07 0.00 0.00 179.97 180.04 2wor h SER 8 N 0.50 0.61 -0.22 7.04 0.02 -0.73 0.20 113.55 120.97 2wor h SER 8 Ca 0.13 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2wor h SER 8 Cb 0.07 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2wor h SER 8 CO -0.02 0.85 0.07 0.40 -1.14 0.00 0.00 176.83 176.99 2wor h ILE 9 N 0.37 1.19 -0.84 3.27 2.04 -0.97 -1.30 117.51 121.27 2wor h ILE 9 Ca 0.08 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2wor h ILE 9 Cb 0.59 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2wor h ILE 9 CO 0.03 0.20 0.45 0.40 0.00 0.00 0.00 178.15 179.23 2wor h ILE 10 N 0.19 1.25 -0.67 -0.67 2.04 -1.10 -2.07 117.51 116.47 2wor h ILE 10 Ca 0.07 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2wor h ILE 10 Cb 0.24 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 2wor h ILE 10 CO -0.00 0.28 0.33 1.23 0.00 0.00 0.00 178.15 179.99 2wor h GLY 11 N 1.20 1.03 1.78 5.37 0.00 -0.38 -0.42 103.07 111.65 2wor h GLY 11 Ca 0.30 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2wor h GLY 11 CO -0.05 0.48 -0.27 -0.33 0.00 0.00 0.00 176.54 176.37 2wor h MET 12 N 0.93 0.26 -0.11 4.80 2.86 -0.74 0.26 114.93 123.19 2wor h MET 12 Ca 0.23 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2wor h MET 12 Cb 0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2wor h MET 12 CO -0.03 0.52 -0.11 0.82 1.06 0.00 0.00 176.91 179.17 2wor h ILE 13 N 0.23 1.36 -0.80 -1.22 2.04 -1.01 -1.21 117.51 116.90 2wor h ILE 13 Ca 0.04 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 2wor h ILE 13 Cb 0.61 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2wor h ILE 13 CO 0.04 0.36 0.33 0.44 0.00 0.00 0.00 178.15 179.33 2wor h ASP 14 N -0.14 1.10 -0.44 1.72 3.32 -0.78 -1.17 116.42 120.03 2wor h ASP 14 Ca 0.02 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 56.94 2wor h ASP 14 Cb 0.63 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2wor h ASP 14 CO 0.03 0.97 0.22 -0.03 -1.72 0.00 0.00 179.24 178.71 2wor h MET 15 N 1.17 0.43 -0.77 3.56 4.05 -0.38 -2.17 114.93 120.82 2wor h MET 15 Ca 0.27 -0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.77 2wor h MET 15 Cb 0.20 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 30.83 2wor h MET 15 CO -0.02 0.29 0.39 0.35 0.23 0.00 0.00 176.91 178.15 2wor h PHE 16 N 0.45 0.70 0.00 1.39 3.57 -0.71 -1.40 116.94 120.94 2wor h PHE 16 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2wor h PHE 16 Cb 0.09 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.63 2wor h PHE 16 CO -0.10 0.23 0.00 0.72 -2.23 0.00 0.00 178.31 176.93 2wor n HIS 17 N -4.85 0.08 0.24 0.41 8.25 -0.49 -1.62 115.22 117.25 2wor n HIS 17 Ca 0.13 0.03 0.12 0.00 -0.26 0.00 0.00 57.72 57.74 2wor n HIS 17 Cb 0.32 -0.55 0.60 0.00 1.12 0.00 0.00 29.99 31.49 2wor n HIS 17 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2wor h LYS 18 N 0.00 0.00 -0.00 -0.41 3.64 -0.65 -3.36 116.57 115.79 2wor h LYS 18 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wor h LYS 18 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2wor h LYS 18 CO 0.00 0.17 -0.13 0.66 -2.27 0.00 0.00 179.45 177.88 2wor n TYR 19 N -3.49 0.00 -2.13 1.91 4.01 -0.64 -5.03 117.16 111.79 2wor n TYR 19 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 2wor n TYR 19 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 2wor n TYR 19 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2wor s THR 20 N -1.01 3.60 0.16 -0.72 -4.23 -1.12 -4.56 115.64 107.75 2wor s THR 20 Ca 0.04 0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 61.37 2wor s THR 20 Cb 0.04 -3.33 0.03 0.00 1.34 0.00 0.00 72.50 70.58 2wor s THR 20 CO 0.14 -0.37 0.21 0.54 -0.54 0.00 0.00 174.62 174.61 2wor n ARG 21 N -1.75 0.11 0.08 3.99 5.12 -0.07 -4.93 116.66 119.20 2wor n ARG 21 Ca 0.10 -0.43 0.09 0.00 -1.93 0.00 0.00 57.85 55.68 2wor n ARG 21 Cb 0.52 -0.19 0.39 0.00 -1.16 0.00 0.00 32.46 32.03 2wor n ARG 21 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wor n ARG 22 N -1.43 0.10 -0.49 5.56 1.74 -1.26 -1.15 116.66 119.74 2wor n ARG 22 Ca 0.03 0.39 0.06 0.00 -0.77 0.00 0.00 57.85 57.57 2wor n ARG 22 Cb 0.11 -1.72 0.27 0.00 -1.02 0.00 0.00 32.46 30.09 2wor n ARG 22 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wor n ASP 23 N -1.91 3.74 -1.84 0.55 5.75 -1.26 -4.90 116.55 116.67 2wor n ASP 23 Ca 0.02 -2.39 -0.17 0.00 -0.01 0.00 0.00 54.79 52.23 2wor n ASP 23 Cb 0.17 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 2wor n ASP 23 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2wor n ASP 24 N 0.68 -5.09 -4.28 -1.12 2.03 -0.30 -5.01 116.55 103.47 2wor n ASP 24 Ca 0.19 0.08 -0.17 0.00 0.52 0.00 0.00 54.79 55.41 2wor n ASP 24 Cb 0.73 -4.16 -0.10 0.00 -0.72 0.00 0.00 41.12 36.87 2wor n ASP 24 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wor s LYS 25 N -4.58 1.14 -0.17 -0.67 1.02 -1.26 -4.49 119.74 110.74 2wor s LYS 25 Ca 0.00 -1.44 -0.06 0.00 0.02 0.00 0.00 55.97 54.49 2wor s LYS 25 Cb 0.00 -0.87 -0.04 0.00 -0.52 0.00 0.00 37.83 36.40 2wor s LYS 25 CO 0.00 0.14 0.03 0.42 -0.92 0.00 0.00 175.35 175.02 2wor s ILE 26 N -2.88 4.47 0.81 2.17 1.01 0.14 -0.89 121.20 126.05 2wor s ILE 26 Ca 0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 2wor s ILE 26 Cb -0.01 -2.99 0.12 0.00 0.01 0.00 0.00 42.46 39.60 2wor s ILE 26 CO 0.03 0.49 1.15 1.51 0.00 0.00 0.00 174.94 178.11 2wor s ASP 27 N 0.25 4.10 0.12 3.58 1.47 -1.26 -0.00 116.67 124.92 2wor s ASP 27 Ca 0.02 0.32 -0.18 0.00 1.18 0.00 0.00 52.55 53.88 2wor s ASP 27 Cb -0.13 -0.69 -0.05 0.00 -0.34 0.00 0.00 42.92 41.72 2wor s ASP 27 CO 0.01 -2.08 1.69 0.50 0.68 0.00 0.00 175.17 175.96 2wor h LYS 28 N -1.03 0.41 0.00 2.11 3.64 -1.98 0.22 116.57 119.93 2wor h LYS 28 Ca -0.43 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 2wor h LYS 28 Cb 1.28 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2wor h LYS 28 CO 0.50 0.40 -0.21 -1.35 -2.27 0.00 0.00 179.45 176.52 2wor h PRO 29 N 0.32 0.00 -0.04 1.90 0.11 -1.99 -1.43 132.00 130.87 2wor h PRO 29 Ca 0.10 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.99 2wor h PRO 29 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2wor h PRO 29 CO -0.01 0.21 -0.86 0.77 -0.21 0.00 0.00 178.00 177.90 2wor h SER 30 N 0.00 0.57 -0.32 -2.05 0.02 -1.82 -1.50 113.55 108.45 2wor h SER 30 Ca -0.00 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 2wor h SER 30 Cb 0.39 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2wor h SER 30 CO 0.03 1.20 0.13 0.25 -1.14 0.00 0.00 176.83 177.29 2wor h LEU 31 N 0.29 0.45 -0.86 5.07 5.85 -0.27 0.51 115.31 126.35 2wor h LEU 31 Ca -0.06 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2wor h LEU 31 Cb 1.47 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2wor h LEU 31 CO 0.15 0.50 0.25 -0.07 -0.34 0.00 0.00 178.44 178.93 2wor h LEU 32 N 0.37 1.01 -0.18 2.25 3.38 -1.12 -1.11 115.31 119.92 2wor h LEU 32 Ca 0.11 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wor h LEU 32 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wor h LEU 32 CO -0.01 0.92 0.05 0.74 0.09 0.00 0.00 178.44 180.23 2wor h THR 33 N 1.06 0.95 -0.66 0.22 2.02 -1.08 -1.36 112.91 114.05 2wor h THR 33 Ca 0.24 -0.04 0.11 0.00 0.77 0.00 0.00 66.41 67.49 2wor h THR 33 Cb 0.25 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 2wor h THR 33 CO -0.01 0.02 0.24 -0.03 0.37 0.00 0.00 175.52 176.11 2wor h MET 34 N 0.13 0.40 -0.25 6.66 1.85 -0.56 -0.79 114.93 122.37 2wor h MET 34 Ca 0.08 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.12 2wor h MET 34 Cb 0.06 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 2wor h MET 34 CO -0.09 0.26 0.06 0.52 -0.40 0.00 0.00 176.91 177.26 2wor h MET 35 N 0.41 0.41 -0.50 0.39 2.07 -0.85 0.87 114.93 117.73 2wor h MET 35 Ca 0.35 -0.10 -0.04 0.00 -2.07 0.00 0.00 59.70 57.84 2wor h MET 35 Cb 0.47 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.13 2wor h MET 35 CO -0.35 0.51 0.15 0.87 1.07 0.00 0.00 176.91 179.16 2wor h LYS 36 N 0.23 0.74 0.04 1.72 1.57 -0.80 0.18 116.57 120.25 2wor h LYS 36 Ca 0.08 -0.13 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 2wor h LYS 36 Cb 0.29 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2wor h LYS 36 CO 0.00 0.65 -1.20 0.93 -0.57 0.00 0.00 179.45 179.26 2wor h GLU 37 N 0.73 0.08 0.00 3.15 5.08 -0.97 -3.32 114.58 119.33 2wor h GLU 37 Ca 0.17 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wor h GLU 37 Cb 0.22 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2wor h GLU 37 CO -0.01 0.99 -0.90 0.09 -1.00 0.00 0.00 179.01 178.18 2wor n ASN 38 N -3.35 1.80 -2.50 1.42 3.02 0.28 -4.66 115.26 111.27 2wor n ASN 38 Ca -0.06 -0.33 -0.14 0.00 -0.03 0.00 0.00 54.58 54.02 2wor n ASN 38 Cb 0.98 1.20 0.03 0.00 -0.61 0.00 0.00 39.78 41.38 2wor n ASN 38 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2wor n PHE 39 N -1.50 2.07 -0.10 3.10 3.72 0.61 -4.91 117.46 120.46 2wor n PHE 39 Ca -0.00 -2.48 -0.03 0.00 -0.05 0.00 0.00 57.45 54.89 2wor n PHE 39 Cb 0.17 -0.26 0.20 0.00 -0.94 0.00 0.00 39.48 38.65 2wor n PHE 39 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wor h PRO 40 N 2.56 0.76 -0.31 -1.08 0.13 -1.66 0.30 132.00 132.70 2wor h PRO 40 Ca 0.10 -0.17 -0.16 0.00 -0.87 0.00 0.00 66.00 64.89 2wor h PRO 40 Cb 1.26 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2wor h PRO 40 CO 0.54 0.73 -0.45 -0.91 -0.23 0.00 0.00 178.00 177.68 2wor h ASN 41 N 0.73 0.88 -0.64 1.44 2.35 -1.92 0.34 115.58 118.76 2wor h ASN 41 Ca 0.15 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 2wor h ASN 41 Cb 0.35 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2wor h ASN 41 CO 0.01 1.19 0.36 0.15 -1.65 0.00 0.00 177.43 177.49 2wor h PHE 42 N 0.65 0.86 -0.33 1.19 3.57 -1.87 -1.47 116.94 119.54 2wor h PHE 42 Ca 0.04 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2wor h PHE 42 Cb 1.02 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2wor h PHE 42 CO 0.06 0.61 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.41 2wor h LEU 43 N 0.87 0.69 -0.77 0.59 3.38 -0.81 -1.95 115.31 117.30 2wor h LEU 43 Ca 0.23 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2wor h LEU 43 Cb 0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2wor h LEU 43 CO -0.04 0.93 0.05 -1.28 0.09 0.00 0.00 178.44 178.19 2wor h SER 44 N 0.58 0.94 -0.16 -0.43 0.87 -0.70 -0.29 113.55 114.36 2wor h SER 44 Ca 0.08 -0.23 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 2wor h SER 44 Cb 0.76 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2wor h SER 44 CO 0.06 0.97 -0.31 0.00 -0.53 0.00 0.00 176.83 177.02 2wor h ALA 45 N 1.13 0.87 0.01 6.23 0.00 -0.88 -1.09 119.26 125.53 2wor h ALA 45 Ca 0.18 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wor h ALA 45 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wor h ALA 45 CO 0.02 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 179.89 2wor h ASP 47 N -0.12 0.81 0.19 0.00 3.32 -0.81 -1.28 116.42 118.53 2wor h ASP 47 Ca -0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2wor h ASP 47 Cb 0.11 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2wor h ASP 47 CO 0.00 0.45 -0.11 0.11 -1.72 0.00 0.00 179.24 177.98 2wor h LYS 48 N 0.91 0.00 -0.30 3.56 1.57 -0.97 -0.97 116.57 120.37 2wor h LYS 48 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2wor h LYS 48 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wor h LYS 48 CO -0.25 0.11 0.00 1.63 -0.57 0.00 0.00 179.45 180.37 2wor n LYS 49 N -4.01 2.10 -1.37 3.15 4.76 -0.57 -4.95 118.16 117.26 2wor n LYS 49 Ca -0.02 -1.66 0.00 0.00 -2.87 0.00 0.00 58.31 53.75 2wor n LYS 49 Cb 0.19 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2wor n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wor n GLY 50 N 1.30 0.53 3.19 0.72 0.00 -0.37 -5.06 105.19 105.50 2wor n GLY 50 Ca 0.17 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 2wor n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wor s THR 51 N -2.00 2.30 -0.74 2.61 2.01 -0.71 -5.00 115.64 114.11 2wor s THR 51 Ca 0.00 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 60.97 2wor s THR 51 Cb 0.00 -1.96 0.18 0.00 0.01 0.00 0.00 72.50 70.74 2wor s THR 51 CO 0.00 0.53 0.71 0.21 -0.69 0.00 0.00 174.62 175.38 2wor s ASN 52 N 1.00 6.57 0.57 3.53 3.04 -1.26 -2.63 114.94 125.75 2wor s ASN 52 Ca -0.02 -2.34 0.29 0.00 0.04 0.00 0.00 52.86 50.83 2wor s ASN 52 Cb -0.15 -2.22 1.70 0.00 -1.54 0.00 0.00 41.25 39.04 2wor s ASN 52 CO -0.05 -0.71 2.19 0.22 -3.04 0.00 0.00 177.10 175.71 2wor h TYR 53 N 8.21 0.00 0.00 0.43 3.20 -1.92 -2.11 116.97 124.79 2wor h TYR 53 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2wor h TYR 53 Cb 1.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2wor h TYR 53 CO 0.95 0.05 0.00 1.28 -1.64 0.00 0.00 178.16 178.80 2wor n LEU 54 N -3.73 0.70 -0.23 2.82 4.77 -1.26 -2.65 117.00 117.42 2wor n LEU 54 Ca -0.02 0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 56.47 2wor n LEU 54 Cb 0.14 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2wor n LEU 54 CO 0.28 -0.20 1.10 0.00 -1.33 0.00 0.00 177.39 177.24 2wor h ALA 55 N 2.55 0.83 -0.01 -1.18 0.00 -1.80 -3.34 119.26 116.31 2wor h ALA 55 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wor h ALA 55 Cb 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wor h ALA 55 CO 0.00 0.31 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 2wor n ASP 56 N -4.57 1.32 -0.35 0.00 5.75 -1.24 -4.80 116.55 112.65 2wor n ASP 56 Ca 0.05 -1.17 -0.03 0.00 -0.01 0.00 0.00 54.79 53.63 2wor n ASP 56 Cb 0.06 -0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.25 2wor n ASP 56 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2wor h VAL 57 N 0.67 1.24 -0.62 2.12 3.04 -1.63 -0.00 116.25 121.06 2wor h VAL 57 Ca 0.00 -0.44 -0.06 0.00 -1.01 0.00 0.00 66.70 65.19 2wor h VAL 57 Cb 0.16 -0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.28 2wor h VAL 57 CO 0.00 0.23 0.15 0.15 -1.01 0.00 0.00 177.57 177.10 2wor h PHE 58 N 1.27 1.05 -0.02 3.17 3.57 -1.87 -0.51 116.94 123.59 2wor h PHE 58 Ca 0.34 -0.12 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 2wor h PHE 58 Cb -0.14 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.29 2wor h PHE 58 CO -0.01 0.87 -0.59 0.93 -2.23 0.00 0.00 178.31 177.29 2wor h GLU 59 N 0.92 0.08 -0.44 1.11 3.07 -1.72 0.25 114.58 117.85 2wor h GLU 59 Ca 0.20 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.90 2wor h GLU 59 Cb 0.35 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2wor h GLU 59 CO 0.00 0.64 -0.14 0.87 -1.40 0.00 0.00 179.01 178.98 2wor h LYS 60 N 0.06 0.82 0.00 2.33 1.79 -0.82 -3.33 116.57 117.41 2wor h LYS 60 Ca -0.01 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 2wor h LYS 60 Cb 1.05 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2wor h LYS 60 CO 0.08 0.91 -1.47 1.63 -1.08 0.00 0.00 179.45 179.51 2wor n LYS 61 N -4.15 0.36 -2.03 3.15 4.76 -0.22 -4.62 118.16 115.41 2wor n LYS 61 Ca 0.01 -0.09 -0.40 0.00 -2.87 0.00 0.00 58.31 54.96 2wor n LYS 61 Cb 0.39 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.03 2wor n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wor n ASP 62 N -1.93 3.92 -0.21 4.39 2.03 0.05 -4.79 116.55 120.00 2wor n ASP 62 Ca -0.00 -2.82 -0.08 0.00 0.52 0.00 0.00 54.79 52.41 2wor n ASP 62 Cb 0.46 -1.63 0.06 0.00 -0.72 0.00 0.00 41.12 39.29 2wor n ASP 62 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2wor h LYS 63 N 7.61 1.06 -0.22 -0.67 3.64 -1.86 -2.35 116.57 123.77 2wor h LYS 63 Ca 0.43 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2wor h LYS 63 Cb 0.79 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2wor h LYS 63 CO 1.61 1.00 0.00 0.27 -2.27 0.00 0.00 179.45 180.05 2wor n ASN 64 N -4.20 2.22 -3.26 4.20 6.94 -1.26 -4.95 115.26 114.95 2wor n ASN 64 Ca 0.04 -1.80 -0.23 0.00 -0.02 0.00 0.00 54.58 52.56 2wor n ASN 64 Cb 0.31 -0.14 0.02 0.00 -2.36 0.00 0.00 39.78 37.61 2wor n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2wor n GLU 65 N 0.69 -4.47 -0.12 -3.83 1.02 -0.89 -4.87 120.64 108.18 2wor n GLU 65 Ca 0.17 0.70 0.10 0.00 -0.02 0.00 0.00 57.16 58.11 2wor n GLU 65 Cb 0.42 -5.51 0.31 0.00 -0.02 0.00 0.00 31.44 26.64 2wor n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2wor n ASP 66 N -2.47 2.07 -1.67 1.62 5.68 -1.26 -4.95 116.55 115.57 2wor n ASP 66 Ca -0.05 -1.82 -0.15 0.00 -0.50 0.00 0.00 54.79 52.27 2wor n ASP 66 Cb 0.58 -0.16 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 2wor n ASP 66 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2wor n LYS 67 N 0.60 -1.19 -3.94 0.11 4.76 -1.26 -5.01 118.16 112.23 2wor n LYS 67 Ca 0.16 0.76 -0.10 0.00 -2.87 0.00 0.00 58.31 56.26 2wor n LYS 67 Cb 0.38 -5.08 -0.10 0.00 -1.84 0.00 0.00 35.03 28.39 2wor n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2wor s LYS 68 N -4.62 0.45 -0.31 1.97 -0.14 -1.26 -4.53 119.74 111.30 2wor s LYS 68 Ca 0.00 -0.60 -0.10 0.00 -1.36 0.00 0.00 55.97 53.90 2wor s LYS 68 Cb 0.00 0.17 -0.01 0.00 -1.68 0.00 0.00 37.83 36.31 2wor s LYS 68 CO 0.00 -0.10 0.17 0.42 -0.76 0.00 0.00 175.35 175.09 2wor s ILE 69 N -1.83 4.80 0.69 2.17 -1.09 0.99 -4.81 121.20 122.12 2wor s ILE 69 Ca -0.12 -0.33 -0.00 0.00 -2.23 0.00 0.00 60.65 57.97 2wor s ILE 69 Cb -0.06 -3.44 0.11 0.00 -1.58 0.00 0.00 42.46 37.49 2wor s ILE 69 CO -0.01 0.07 0.96 1.51 -1.23 0.00 0.00 174.94 176.23 2wor s ASP 70 N 1.65 4.50 0.26 3.58 1.47 -1.26 -0.68 116.67 126.18 2wor s ASP 70 Ca 0.05 -0.31 -0.04 0.00 1.18 0.00 0.00 52.55 53.43 2wor s ASP 70 Cb -0.17 -0.14 0.35 0.00 -0.34 0.00 0.00 42.92 42.62 2wor s ASP 70 CO 0.07 -1.75 1.90 0.15 0.68 0.00 0.00 175.17 176.22 2wor h PHE 71 N -0.43 1.21 -0.84 2.11 3.57 -1.99 0.76 116.94 121.32 2wor h PHE 71 Ca -0.37 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.17 2wor h PHE 71 Cb 1.27 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 2wor h PHE 71 CO -0.09 0.68 0.56 0.66 -2.23 0.00 0.00 178.31 177.88 2wor h SER 72 N 1.23 0.95 -0.32 0.41 4.64 -1.98 0.63 113.55 119.11 2wor h SER 72 Ca 0.41 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.56 2wor h SER 72 Cb 0.05 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2wor h SER 72 CO -0.14 0.68 -0.36 -0.33 -0.87 0.00 0.00 176.83 175.81 2wor h GLU 73 N 1.12 0.86 -0.68 4.77 5.08 -1.69 -1.35 114.58 122.70 2wor h GLU 73 Ca 0.31 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2wor h GLU 73 Cb -0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2wor h GLU 73 CO -0.08 1.08 0.38 0.35 -1.00 0.00 0.00 179.01 179.74 2wor h PHE 74 N 0.72 0.93 -0.38 4.33 3.57 -0.50 -1.21 116.94 124.40 2wor h PHE 74 Ca 0.07 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2wor h PHE 74 Cb 0.93 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2wor h PHE 74 CO 0.05 0.66 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.72 2wor h LEU 75 N 0.93 0.56 -1.08 0.59 3.38 -0.58 -0.30 115.31 118.82 2wor h LEU 75 Ca 0.24 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2wor h LEU 75 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2wor h LEU 75 CO -0.04 0.63 -0.20 -1.28 0.09 0.00 0.00 178.44 177.64 2wor h SER 76 N 0.57 0.40 -0.25 -0.43 0.87 -0.58 0.14 113.55 114.28 2wor h SER 76 Ca 0.12 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2wor h SER 76 Cb 0.36 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2wor h SER 76 CO 0.01 0.62 0.01 0.25 -0.53 0.00 0.00 176.83 177.19 2wor h LEU 77 N 0.37 0.42 -1.20 2.23 5.85 -0.57 -0.71 115.31 121.72 2wor h LEU 77 Ca 0.06 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 2wor h LEU 77 Cb 0.56 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2wor h LEU 77 CO 0.04 0.61 0.21 -0.07 -0.34 0.00 0.00 178.44 178.89 2wor h LEU 78 N 0.22 0.70 -1.04 2.25 3.38 -0.45 -1.69 115.31 118.67 2wor h LEU 78 Ca 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2wor h LEU 78 Cb 0.39 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2wor h LEU 78 CO 0.01 0.64 0.29 1.23 0.09 0.00 0.00 178.44 180.70 2wor h GLY 79 N 0.90 1.04 0.97 0.83 0.00 -0.31 0.13 103.07 106.63 2wor h GLY 79 Ca 0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2wor h GLY 79 CO -0.02 0.50 0.20 -0.55 0.00 0.00 0.00 176.54 176.67 2wor h ASP 80 N 0.96 0.66 -0.37 0.19 3.32 -0.28 0.13 116.42 121.03 2wor h ASP 80 Ca 0.23 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2wor h ASP 80 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2wor h ASP 80 CO -0.02 0.64 -0.06 0.40 -1.72 0.00 0.00 179.24 178.48 2wor h ILE 81 N 0.64 1.27 -0.77 0.35 2.04 -1.01 -1.73 117.51 118.30 2wor h ILE 81 Ca 0.16 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2wor h ILE 81 Cb 0.18 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2wor h ILE 81 CO -0.01 0.37 0.35 0.00 0.00 0.00 0.00 178.15 178.85 2wor h ALA 82 N 0.84 1.17 -0.81 1.87 0.00 -0.56 -1.91 119.26 119.86 2wor h ALA 82 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2wor h ALA 82 Cb 0.55 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2wor h ALA 82 CO 0.03 0.62 0.42 1.15 0.00 0.00 0.00 179.25 181.48 2wor h THR 83 N 1.10 1.25 -0.37 0.00 2.02 -0.43 0.11 112.91 116.59 2wor h THR 83 Ca 0.26 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2wor h THR 83 Cb 0.14 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2wor h THR 83 CO -0.03 0.28 0.24 -0.78 0.37 0.00 0.00 175.52 175.60 2wor h ASP 84 N 1.14 0.44 -0.09 4.18 3.58 -0.89 0.65 116.42 125.42 2wor h ASP 84 Ca 0.28 -0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.61 2wor h ASP 84 Cb 0.06 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2wor h ASP 84 CO -0.04 0.34 -0.22 1.88 -2.88 0.00 0.00 179.24 178.31 2wor h TYR 85 N 0.50 0.57 -0.48 0.28 -1.99 -0.99 -0.97 116.97 113.90 2wor h TYR 85 Ca 0.14 -0.12 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 2wor h TYR 85 Cb -0.03 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 2wor h TYR 85 CO -0.04 0.70 0.07 1.25 -0.00 0.00 0.00 178.16 180.13 2wor h HIS 86 N 0.46 0.85 -0.42 4.88 2.76 -0.36 -0.86 115.15 122.46 2wor h HIS 86 Ca 0.07 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 58.03 2wor h HIS 86 Cb 0.64 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 2wor h HIS 86 CO 0.02 0.79 -0.09 0.87 -1.30 0.00 0.00 177.93 178.23 2wor h LYS 87 N 0.67 0.72 -0.51 5.26 1.57 -0.43 -1.93 116.57 121.92 2wor h LYS 87 Ca 0.14 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2wor h LYS 87 Cb 0.41 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2wor h LYS 87 CO 0.01 0.80 0.25 1.96 -0.57 0.00 0.00 179.45 181.90 2wor h GLN 88 N 0.66 0.71 0.00 3.15 4.20 -0.97 -0.59 115.11 122.28 2wor h GLN 88 Ca 0.12 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2wor h GLN 88 Cb 0.54 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2wor h GLN 88 CO 0.03 0.55 -0.00 0.66 -0.67 0.00 0.00 178.83 179.41 2wor h SER 89 N 0.72 0.00 -0.52 1.46 4.64 -0.35 -1.40 113.55 118.10 2wor h SER 89 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2wor h SER 89 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2wor h SER 89 CO -0.02 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.35 2wor n HIS 90 N -3.09 0.68 0.00 4.77 8.25 -0.37 -4.93 115.22 120.53 2wor n HIS 90 Ca -0.01 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 2wor n HIS 90 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2wor n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wor n GLY 91 N 1.52 1.04 3.83 -1.41 0.00 -0.53 -5.09 105.19 104.56 2wor n GLY 91 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2wor n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wor s ALA 92 N -2.00 3.00 0.58 4.61 0.00 -0.38 -4.96 121.76 122.61 2wor s ALA 92 Ca 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 2wor s ALA 92 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2wor s ALA 92 CO 0.00 -0.28 1.17 0.00 0.00 0.00 0.00 175.76 176.66 2wor s ALA 93 N -2.50 2.59 0.52 0.00 0.00 -1.26 -4.27 121.76 116.84 2wor s ALA 93 Ca 0.60 0.92 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 2wor s ALA 93 Cb -0.11 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 2wor s ALA 93 CO 0.29 -1.04 1.17 -2.30 0.00 0.00 0.00 175.76 173.88 2wor n PRO 94 N -1.55 1.44 -3.31 0.00 -0.02 -1.26 -3.80 135.00 126.49 2wor n PRO 94 Ca 0.13 0.53 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 2wor n PRO 94 Cb 0.50 -2.34 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 2wor n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48