#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn s ASP 3 N 0.00 6.54 -0.12 0.00 1.11 -1.26 -4.80 116.67 118.14 2ctn s ASP 3 Ca 0.00 -1.89 -0.13 0.00 0.18 0.00 0.00 52.55 50.70 2ctn s ASP 3 Cb 0.00 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.56 2ctn s ASP 3 CO 0.00 -1.09 -0.26 -0.38 1.18 0.00 0.00 175.17 174.62 2ctn n ILE 4 N 5.47 1.22 0.13 0.77 5.41 -1.26 -4.45 119.36 126.66 2ctn n ILE 4 Ca 0.17 0.22 0.07 0.00 1.00 0.00 0.00 62.75 64.21 2ctn n ILE 4 Cb 0.48 -2.12 0.04 0.00 -0.71 0.00 0.00 39.64 37.32 2ctn n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2ctn h TYR 5 N -0.74 0.00 -0.15 1.39 0.05 -1.91 -3.30 116.97 112.31 2ctn h TYR 5 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2ctn h TYR 5 Cb 0.74 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 2ctn h TYR 5 CO -0.32 0.27 -0.12 -0.22 -1.05 0.00 0.00 178.16 176.72 2ctn h LYS 6 N 0.00 0.24 0.00 4.88 3.11 -1.91 -2.02 116.57 120.87 2ctn h LYS 6 Ca -0.03 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.66 2ctn h LYS 6 Cb 1.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 2ctn h LYS 6 CO 0.03 0.38 -0.45 0.00 -2.81 0.00 0.00 179.45 176.60 2ctn h ALA 7 N 1.65 0.87 0.00 5.00 0.00 -1.78 -3.17 119.26 121.84 2ctn h ALA 7 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2ctn h ALA 7 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ctn h ALA 7 CO 0.02 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 2ctn h ALA 8 N 1.55 0.00 -0.64 0.00 0.00 -1.51 -3.23 119.26 115.43 2ctn h ALA 8 Ca -0.00 -0.45 0.19 0.00 0.00 0.00 0.00 54.91 54.64 2ctn h ALA 8 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2ctn h ALA 8 CO 0.06 -0.03 0.47 0.28 0.00 0.00 0.00 179.25 180.02 2ctn h VAL 9 N -0.81 0.65 0.00 0.00 2.07 -1.49 0.52 116.25 117.19 2ctn h VAL 9 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2ctn h VAL 9 Cb 0.91 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2ctn h VAL 9 CO 0.01 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.27 2ctn h GLU 10 N 0.00 0.00 -0.29 1.57 4.39 -1.56 -2.31 114.58 116.37 2ctn h GLU 10 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2ctn h GLU 10 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2ctn h GLU 10 CO -0.00 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 2ctn n GLN 11 N -3.06 2.01 -0.44 2.33 6.02 0.18 -4.94 117.38 119.49 2ctn n GLN 11 Ca 0.01 -1.54 -0.28 0.00 -0.01 0.00 0.00 57.00 55.18 2ctn n GLN 11 Cb 0.30 -1.42 0.26 0.00 1.02 0.00 0.00 30.24 30.40 2ctn n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ctn n LEU 12 N 0.75 0.00 -4.40 1.08 4.77 -0.87 -5.05 117.00 113.27 2ctn n LEU 12 Ca 0.17 -0.88 -0.21 0.00 -0.03 0.00 0.00 56.01 55.05 2ctn n LEU 12 Cb 0.41 -0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 40.50 2ctn n LEU 12 CO 0.13 -2.52 -0.46 0.42 -1.33 0.00 0.00 177.39 173.63 2ctn s THR 13 N -2.26 2.09 0.62 -5.08 -4.23 -1.26 -4.98 115.64 100.54 2ctn s THR 13 Ca 0.62 -2.28 0.29 0.00 -1.18 0.00 0.00 61.69 59.14 2ctn s THR 13 Cb -0.09 -2.15 0.35 0.00 1.34 0.00 0.00 72.50 71.95 2ctn s THR 13 CO 0.51 -0.48 1.93 -0.08 -0.54 0.00 0.00 174.62 175.96 2ctn h GLU 14 N 2.48 0.00 0.00 3.99 4.22 -1.99 0.39 114.58 123.68 2ctn h GLU 14 Ca -0.39 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 58.89 2ctn h GLU 14 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2ctn h GLU 14 CO 0.60 0.00 -0.84 1.49 -2.18 0.00 0.00 179.01 178.09 2ctn h GLU 15 N 0.00 0.00 0.18 1.92 4.57 -1.99 -2.83 114.58 116.43 2ctn h GLU 15 Ca 0.12 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.94 2ctn h GLU 15 Cb 0.89 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2ctn h GLU 15 CO -0.00 0.67 -1.79 1.96 -1.18 0.00 0.00 179.01 178.67 2ctn h GLN 16 N 0.00 0.38 -0.34 1.92 4.20 -0.68 -3.18 115.11 117.41 2ctn h GLN 16 Ca -0.04 -0.64 -0.13 0.00 0.06 0.00 0.00 58.65 57.90 2ctn h GLN 16 Cb 1.58 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.60 2ctn h GLN 16 CO 0.09 1.31 -0.28 -0.22 -0.67 0.00 0.00 178.83 179.05 2ctn h LYS 17 N 0.10 0.78 0.48 1.46 3.64 -1.23 -3.00 116.57 118.80 2ctn h LYS 17 Ca -0.36 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.60 2ctn h LYS 17 Cb 2.09 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 2ctn h LYS 17 CO 0.17 1.02 -0.23 -0.91 -2.27 0.00 0.00 179.45 177.23 2ctn h ASN 18 N 0.56 -0.54 -1.08 4.20 2.35 -1.66 -2.44 115.58 116.97 2ctn h ASN 18 Ca 0.06 -0.03 0.29 0.00 -0.55 0.00 0.00 56.30 56.07 2ctn h ASN 18 Cb 0.86 0.14 -0.09 0.00 0.05 0.00 0.00 38.32 39.27 2ctn h ASN 18 CO 0.07 -0.31 0.71 -0.08 -1.65 0.00 0.00 177.43 176.17 2ctn h GLU 19 N -0.74 0.30 0.31 0.81 4.81 -1.60 0.05 114.58 118.52 2ctn h GLU 19 Ca -0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2ctn h GLU 19 Cb 0.54 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2ctn h GLU 19 CO 0.11 0.20 -0.15 0.74 -0.73 0.00 0.00 179.01 179.18 2ctn h PHE 20 N 0.31 -0.38 -0.72 0.92 0.04 -1.32 0.76 116.94 116.55 2ctn h PHE 20 Ca 0.62 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.44 2ctn h PHE 20 Cb 1.71 0.13 -0.06 0.00 2.20 0.00 0.00 35.95 39.93 2ctn h PHE 20 CO -0.00 -0.04 0.41 0.87 -0.60 0.00 0.00 178.31 178.95 2ctn h LYS 21 N -0.79 0.74 0.63 1.51 1.79 -0.76 0.77 116.57 120.45 2ctn h LYS 21 Ca -0.04 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2ctn h LYS 21 Cb 0.51 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2ctn h LYS 21 CO 0.07 0.49 -0.30 0.00 -1.08 0.00 0.00 179.45 178.62 2ctn h ALA 22 N 1.36 -0.85 -0.33 3.86 0.00 -1.03 -2.42 119.26 119.86 2ctn h ALA 22 Ca 0.32 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ctn h ALA 22 Cb 0.19 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2ctn h ALA 22 CO -0.18 -0.85 0.21 0.00 0.00 0.00 0.00 179.25 178.43 2ctn h ALA 23 N -0.94 0.42 -0.40 0.00 0.00 -0.67 -0.80 119.26 116.86 2ctn h ALA 23 Ca -0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2ctn h ALA 23 Cb 0.69 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2ctn h ALA 23 CO 0.14 -0.14 -0.41 0.35 0.00 0.00 0.00 179.25 179.20 2ctn h PHE 24 N 0.42 -1.17 -0.49 0.00 3.04 0.56 0.86 116.94 120.16 2ctn h PHE 24 Ca 0.13 0.07 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 2ctn h PHE 24 Cb -0.03 0.57 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 2ctn h PHE 24 CO -0.06 -0.43 0.11 -0.44 -2.02 0.00 0.00 178.31 175.47 2ctn h ASP 25 N -0.31 0.69 1.09 0.41 3.32 -1.21 1.29 116.42 121.70 2ctn h ASP 25 Ca 0.15 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2ctn h ASP 25 Cb 0.58 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2ctn h ASP 25 CO -0.57 0.69 0.00 0.40 -1.72 0.00 0.00 179.24 178.04 2ctn h ILE 26 N 0.72 0.00 0.00 0.35 2.04 0.60 -2.74 117.51 118.48 2ctn h ILE 26 Ca 0.16 -0.37 -0.21 0.00 1.00 0.00 0.00 64.86 65.44 2ctn h ILE 26 Cb 0.28 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2ctn h ILE 26 CO -0.00 0.00 -1.78 0.49 0.00 0.00 0.00 178.15 176.86 2ctn n PHE 27 N -2.32 0.00 0.26 1.37 3.72 0.28 -4.47 117.46 116.29 2ctn n PHE 27 Ca 0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.58 2ctn n PHE 27 Cb 0.32 -0.55 0.39 0.00 -0.94 0.00 0.00 39.48 38.70 2ctn n PHE 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2ctn h VAL 28 N 0.00 0.00 -0.83 -4.37 2.07 0.16 -3.09 116.25 110.19 2ctn h VAL 28 Ca -0.31 -0.78 0.24 0.00 0.82 0.00 0.00 66.70 66.67 2ctn h VAL 28 Cb 1.66 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 2ctn h VAL 28 CO 0.01 0.00 0.67 0.25 0.02 0.00 0.00 177.57 178.52 2ctn h LEU 29 N 0.00 0.00 -2.43 2.57 5.85 -1.67 0.28 115.31 119.90 2ctn h LEU 29 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2ctn h LEU 29 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2ctn h LEU 29 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 2ctn n GLY 30 N -1.66 1.73 0.00 3.75 0.00 -1.19 -5.04 105.19 102.78 2ctn n GLY 30 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2ctn n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctn n ALA 31 N -0.29 0.00 -0.00 4.61 0.00 0.97 -4.98 120.51 120.82 2ctn n ALA 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2ctn n ALA 31 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 2ctn n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ctn n GLU 32 N -0.40 1.34 -2.88 0.00 2.13 -1.26 -4.85 120.64 114.73 2ctn n GLU 32 Ca 0.00 -0.01 -0.12 0.00 0.66 0.00 0.00 57.16 57.69 2ctn n GLU 32 Cb 0.00 -1.03 0.04 0.00 0.27 0.00 0.00 31.44 30.72 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2ctn n ASP 33 N -1.71 -0.20 -1.47 4.31 2.03 -1.26 -4.93 116.55 113.32 2ctn n ASP 33 Ca -0.01 -3.02 -0.13 0.00 0.52 0.00 0.00 54.79 52.16 2ctn n ASP 33 Cb 0.20 0.26 -0.05 0.00 -0.72 0.00 0.00 41.12 40.81 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ctn n GLY 34 N 0.08 1.04 3.29 0.27 0.00 -1.26 -4.87 105.19 103.74 2ctn n GLY 34 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 2ctn n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctn s SER 35 N -2.06 1.58 -0.39 1.61 0.01 -1.26 -4.91 113.70 108.27 2ctn s SER 35 Ca 0.00 -1.73 0.04 0.00 1.31 0.00 0.00 55.95 55.57 2ctn s SER 35 Cb 0.00 0.56 0.11 0.00 0.21 0.00 0.00 66.02 66.90 2ctn s SER 35 CO 0.00 -1.07 0.11 -0.63 0.41 0.00 0.00 173.24 172.06 2ctn s ILE 36 N -3.44 2.27 0.64 1.44 1.01 -0.19 -4.19 121.20 118.73 2ctn s ILE 36 Ca 0.40 -2.57 -0.11 0.00 0.00 0.00 0.00 60.65 58.37 2ctn s ILE 36 Cb 0.02 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 2ctn s ILE 36 CO 0.27 -0.67 1.04 -0.94 0.00 0.00 0.00 174.94 174.64 2ctn s SER 37 N 0.60 6.00 0.65 3.58 1.04 -1.26 -1.70 113.70 122.61 2ctn s SER 37 Ca 0.13 1.45 0.23 0.00 0.48 0.00 0.00 55.95 58.23 2ctn s SER 37 Cb -0.21 -2.45 1.17 0.00 0.10 0.00 0.00 66.02 64.64 2ctn s SER 37 CO -0.07 -1.02 1.66 0.00 0.98 0.00 0.00 173.24 174.79 2ctn h THR 38 N -0.43 0.07 0.00 2.02 1.03 -1.71 2.25 112.91 116.15 2ctn h THR 38 Ca -0.44 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 65.77 2ctn h THR 38 Cb 1.20 0.45 -0.03 0.00 -1.07 0.00 0.00 68.15 68.70 2ctn h THR 38 CO 0.61 0.00 -0.92 0.50 -0.01 0.00 0.00 175.52 175.70 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 1.63 -1.90 -3.12 116.57 113.18 2ctn h LYS 39 Ca 0.08 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 2ctn h LYS 39 Cb 1.25 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2ctn h LYS 39 CO -0.00 0.85 -1.63 -1.91 -3.45 0.00 0.00 179.45 173.31 2ctn n GLU 40 N -3.30 1.08 0.23 1.90 4.07 0.29 -4.45 120.64 120.46 2ctn n GLU 40 Ca -0.00 -0.07 0.12 0.00 -0.06 0.00 0.00 57.16 57.15 2ctn n GLU 40 Cb 0.90 -1.28 0.32 0.00 -0.06 0.00 0.00 31.44 31.31 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2ctn h LEU 41 N 0.00 0.00 -0.76 4.31 5.85 0.31 -3.30 115.31 121.73 2ctn h LEU 41 Ca -0.12 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.75 2ctn h LEU 41 Cb 0.99 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.88 2ctn h LEU 41 CO 0.01 0.07 -0.21 1.23 -0.34 0.00 0.00 178.44 179.19 2ctn h GLY 42 N 3.27 0.47 2.00 3.75 0.00 -1.70 1.62 103.07 112.47 2ctn h GLY 42 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2ctn h GLY 42 CO 0.01 -0.28 0.00 0.50 0.00 0.00 0.00 176.54 176.77 2ctn h LYS 43 N -0.02 0.00 0.00 4.80 1.57 -1.88 -2.79 116.57 118.26 2ctn h LYS 43 Ca 0.35 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.01 2ctn h LYS 43 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2ctn h LYS 43 CO -0.79 0.00 -1.01 0.28 -0.57 0.00 0.00 179.45 177.36 2ctn h VAL 44 N 0.00 0.60 0.00 0.50 2.07 0.21 -3.15 116.25 116.48 2ctn h VAL 44 Ca 0.00 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.52 2ctn h VAL 44 Cb 0.45 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2ctn h VAL 44 CO 0.00 0.34 -0.07 0.24 0.02 0.00 0.00 177.57 178.10 2ctn h MET 45 N 0.00 0.00 0.00 1.57 2.86 -0.56 -3.30 114.93 115.50 2ctn h MET 45 Ca -0.09 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2ctn h MET 45 Cb 1.46 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 2ctn h MET 45 CO 0.05 0.66 -0.17 -0.09 1.06 0.00 0.00 176.91 178.41 2ctn h ARG 46 N -1.00 0.00 0.00 1.72 2.43 -1.71 -2.14 114.38 113.68 2ctn h ARG 46 Ca -0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2ctn h ARG 46 Cb 0.68 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2ctn h ARG 46 CO -0.01 0.17 -0.21 0.00 -1.51 0.00 0.00 179.97 178.42 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.66 -1.35 114.93 112.11 2ctn h MET 47 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2ctn h MET 47 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2ctn h MET 47 CO 0.02 0.21 0.00 1.28 -0.00 0.00 0.00 176.91 178.42 2ctn n LEU 48 N -4.05 0.14 0.00 -0.10 4.77 -0.81 -4.81 117.00 112.14 2ctn n LEU 48 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2ctn n LEU 48 Cb 0.28 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2ctn n LEU 48 CO 0.35 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2ctn n GLY 49 N 0.87 1.99 2.83 -0.72 0.00 -0.53 -5.14 105.19 104.50 2ctn n GLY 49 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2ctn n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctn n GLN 50 N -0.07 1.03 -2.71 1.61 1.13 -1.07 -5.02 117.38 112.28 2ctn n GLN 50 Ca 0.00 -2.89 -0.07 0.00 -1.94 0.00 0.00 57.00 52.10 2ctn n GLN 50 Cb 0.00 0.80 0.11 0.00 0.11 0.00 0.00 30.24 31.26 2ctn n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2ctn n ASN 51 N -1.26 -1.94 -3.02 1.08 5.15 -1.26 -4.28 115.26 109.73 2ctn n ASN 51 Ca -0.16 -2.67 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 2ctn n ASN 51 Cb 0.50 1.15 0.00 0.00 -0.53 0.00 0.00 39.78 40.90 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ctn n PRO 52 N -0.43 0.32 -4.42 1.20 -0.04 -1.26 -5.09 135.00 125.27 2ctn n PRO 52 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 2ctn n PRO 52 Cb 0.82 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.18 2ctn n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ctn s THR 53 N -0.38 1.16 0.17 0.52 -4.23 -1.26 -5.05 115.64 106.58 2ctn s THR 53 Ca 0.00 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2ctn s THR 53 Cb 0.00 -2.70 -0.11 0.00 1.34 0.00 0.00 72.50 71.03 2ctn s THR 53 CO 0.00 -0.07 1.42 1.55 -0.54 0.00 0.00 174.62 176.98 2ctn h PRO 54 N 2.20 0.38 -0.06 3.99 0.13 -1.98 -2.28 132.00 134.38 2ctn h PRO 54 Ca -0.40 -0.33 -0.12 0.00 -0.87 0.00 0.00 66.00 64.28 2ctn h PRO 54 Cb 1.24 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ctn h PRO 54 CO 0.68 0.97 -0.51 1.49 -0.23 0.00 0.00 178.00 180.41 2ctn h GLU 55 N 0.25 0.15 0.07 0.86 4.81 -1.99 -3.17 114.58 115.57 2ctn h GLU 55 Ca -0.04 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 2ctn h GLU 55 Cb 1.34 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.74 2ctn h GLU 55 CO 0.13 0.62 -0.58 1.49 -0.73 0.00 0.00 179.01 179.94 2ctn h GLU 56 N 0.12 0.27 -0.11 1.92 4.81 -1.96 -3.12 114.58 116.50 2ctn h GLU 56 Ca 0.00 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2ctn h GLU 56 Cb 0.94 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2ctn h GLU 56 CO 0.07 1.14 -0.31 -0.07 -0.73 0.00 0.00 179.01 179.11 2ctn h LEU 57 N -0.41 -0.98 -0.43 1.64 3.38 -1.43 0.89 115.31 117.96 2ctn h LEU 57 Ca -0.09 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.09 2ctn h LEU 57 Cb 1.40 0.39 -0.09 0.00 0.09 0.00 0.00 40.66 42.45 2ctn h LEU 57 CO 0.11 -0.26 -0.16 -0.61 0.09 0.00 0.00 178.44 177.61 2ctn h GLN 58 N -0.30 -0.06 -0.54 1.13 5.75 -1.70 0.76 115.11 120.14 2ctn h GLN 58 Ca 0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2ctn h GLN 58 Cb 0.37 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 2ctn h GLN 58 CO -0.27 -0.04 0.35 1.49 -2.65 0.00 0.00 178.83 177.72 2ctn h GLU 59 N -0.06 0.72 0.53 1.69 4.81 -1.29 -0.07 114.58 120.90 2ctn h GLU 59 Ca 0.21 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2ctn h GLU 59 Cb 0.39 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.61 2ctn h GLU 59 CO -0.48 0.48 -0.25 0.52 -0.73 0.00 0.00 179.01 178.54 2ctn h MET 60 N 0.74 -0.69 -0.40 1.92 2.86 0.32 -3.04 114.93 116.64 2ctn h MET 60 Ca 0.20 0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2ctn h MET 60 Cb -0.08 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2ctn h MET 60 CO -0.04 -0.46 0.08 0.82 1.06 0.00 0.00 176.91 178.38 2ctn h ILE 61 N -0.72 1.23 -1.40 -1.22 5.03 -1.14 -2.56 117.51 116.74 2ctn h ILE 61 Ca -0.07 -0.82 0.41 0.00 -0.12 0.00 0.00 64.86 64.25 2ctn h ILE 61 Cb 0.55 1.00 -0.06 0.00 -3.03 0.00 0.00 36.82 35.29 2ctn h ILE 61 CO 0.12 0.28 1.18 -0.78 -0.68 0.00 0.00 178.15 178.27 2ctn h ASP 62 N 0.51 0.00 0.00 1.72 1.82 -0.90 1.97 116.42 121.53 2ctn h ASP 62 Ca 0.12 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.70 2ctn h ASP 62 Cb 0.34 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2ctn h ASP 62 CO 0.00 0.00 -0.62 -0.08 -1.61 0.00 0.00 179.24 176.94 2ctn h GLU 63 N 0.00 0.00 0.00 0.28 4.81 -1.37 -3.37 114.58 114.93 2ctn h GLU 63 Ca 0.66 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.85 2ctn h GLU 63 Cb 3.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 32.39 2ctn h GLU 63 CO -0.01 0.34 -0.22 -0.39 -0.73 0.00 0.00 179.01 178.01 2ctn h VAL 64 N -1.00 0.64 -3.31 0.32 -1.51 -1.04 -3.42 116.25 106.93 2ctn h VAL 64 Ca -0.10 -1.00 -0.55 0.00 -1.23 0.00 0.00 66.70 63.82 2ctn h VAL 64 Cb 0.69 1.65 -0.03 0.00 -2.13 0.00 0.00 31.29 31.47 2ctn h VAL 64 CO -0.06 0.22 0.49 -0.62 -1.23 0.00 0.00 177.57 176.37 2ctn s ASP 65 N -6.25 7.28 -0.11 4.19 2.15 0.65 -4.91 116.67 119.67 2ctn s ASP 65 Ca -0.01 1.56 0.16 0.00 0.43 0.00 0.00 52.55 54.70 2ctn s ASP 65 Cb 0.11 -2.56 0.61 0.00 -0.30 0.00 0.00 42.92 40.79 2ctn s ASP 65 CO 0.63 -0.38 1.52 -1.84 -0.17 0.00 0.00 175.17 174.94 2ctn n GLU 66 N 4.62 3.45 0.00 4.34 0.00 -1.26 -4.26 120.64 127.53 2ctn n GLU 66 Ca 0.08 -2.73 0.00 0.00 0.00 0.00 0.00 57.16 54.50 2ctn n GLU 66 Cb 0.50 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 30.16 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2ctn n ASP 67 N 0.68 1.27 -3.65 -1.84 5.68 -1.26 -5.03 116.55 112.40 2ctn n ASP 67 Ca 0.22 -1.43 -0.22 0.00 -0.50 0.00 0.00 54.79 52.86 2ctn n ASP 67 Cb 0.81 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.80 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 68 N -0.22 -1.21 0.00 6.12 0.00 -1.26 -4.90 105.19 103.72 2ctn n GLY 68 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2ctn n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctn n SER 69 N -2.40 2.52 0.00 1.61 3.41 -1.26 -5.03 113.62 112.47 2ctn n SER 69 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2ctn n SER 69 Cb 0.63 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 2ctn n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctn n GLY 70 N 2.53 0.67 3.60 5.00 0.00 -1.26 -5.02 105.19 110.71 2ctn n GLY 70 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2ctn n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctn s THR 71 N -2.00 3.89 -0.21 2.61 -4.23 -1.26 -1.80 115.64 112.63 2ctn s THR 71 Ca 0.00 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 2ctn s THR 71 Cb 0.00 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.26 2ctn s THR 71 CO 0.00 0.59 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.83 2ctn s VAL 72 N -0.68 2.28 0.00 2.29 1.01 -0.69 -4.86 120.40 119.75 2ctn s VAL 72 Ca 0.10 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2ctn s VAL 72 Cb -0.11 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2ctn s VAL 72 CO 0.02 0.32 0.00 -0.90 0.00 0.00 0.00 175.10 174.54 2ctn n ASP 73 N 4.58 0.00 -0.18 3.32 5.68 -1.26 -1.03 116.55 127.67 2ctn n ASP 73 Ca -0.18 -0.97 0.29 0.00 -0.50 0.00 0.00 54.79 53.43 2ctn n ASP 73 Cb 0.47 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.18 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2ctn h PHE 74 N -0.18 0.00 0.07 2.11 3.57 -2.00 0.10 116.94 120.62 2ctn h PHE 74 Ca 0.00 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.22 2ctn h PHE 74 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2ctn h PHE 74 CO 0.00 0.00 -1.48 0.22 -2.23 0.00 0.00 178.31 174.82 2ctn h ASP 75 N 0.00 0.24 0.39 0.41 3.58 -2.00 -3.31 116.42 115.73 2ctn h ASP 75 Ca 0.43 -0.76 -0.03 0.00 0.42 0.00 0.00 57.03 57.09 2ctn h ASP 75 Cb 1.85 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.81 2ctn h ASP 75 CO -0.00 1.62 -0.16 -0.33 -2.88 0.00 0.00 179.24 177.49 2ctn h GLU 76 N -0.47 0.00 0.44 0.28 5.08 -1.62 -1.99 114.58 116.29 2ctn h GLU 76 Ca -0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 2ctn h GLU 76 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2ctn h GLU 76 CO -0.03 0.16 -0.21 0.35 -1.00 0.00 0.00 179.01 178.28 2ctn h PHE 77 N 0.00 -0.54 0.00 4.33 3.04 -0.99 0.33 116.94 123.11 2ctn h PHE 77 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2ctn h PHE 77 Cb 0.40 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.09 2ctn h PHE 77 CO 0.00 -0.30 0.00 -0.07 -2.02 0.00 0.00 178.31 175.92 2ctn h LEU 78 N -1.13 0.00 0.14 0.59 3.38 -1.64 -0.30 115.31 116.35 2ctn h LEU 78 Ca -0.06 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.55 2ctn h LEU 78 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2ctn h LEU 78 CO 0.10 0.00 -1.92 0.58 0.09 0.00 0.00 178.44 177.29 2ctn h VAL 79 N 0.00 0.71 0.00 1.22 2.07 -1.32 -3.22 116.25 115.71 2ctn h VAL 79 Ca 0.00 -2.38 -0.11 0.00 0.82 0.00 0.00 66.70 65.03 2ctn h VAL 79 Cb 0.19 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 2ctn h VAL 79 CO 0.00 0.88 -0.51 -0.03 0.02 0.00 0.00 177.57 177.93 2ctn h MET 80 N 0.06 0.00 0.00 1.57 1.85 0.01 -3.07 114.93 115.34 2ctn h MET 80 Ca -0.40 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.62 2ctn h MET 80 Cb 2.04 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 34.06 2ctn h MET 80 CO 0.11 0.51 -0.31 0.00 -0.40 0.00 0.00 176.91 176.81 2ctn h MET 81 N 0.00 0.00 -0.07 0.39 3.00 -1.21 -3.28 114.93 113.76 2ctn h MET 81 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.67 2ctn h MET 81 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.74 2ctn h MET 81 CO 0.07 0.31 -0.04 0.28 0.00 0.00 0.00 176.91 177.52 2ctn h VAL 82 N 0.00 1.33 -0.76 -0.10 2.07 -1.54 -3.04 116.25 114.21 2ctn h VAL 82 Ca -0.00 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.51 2ctn h VAL 82 Cb 1.23 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 2ctn h VAL 82 CO 0.04 0.30 0.50 0.03 0.02 0.00 0.00 177.57 178.46 2ctn h ARG 83 N -0.23 0.75 -0.69 1.57 3.08 -1.64 -1.75 114.38 115.48 2ctn h ARG 83 Ca 0.02 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.09 2ctn h ARG 83 Cb 0.50 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 2ctn h ARG 83 CO 0.01 0.50 0.36 0.77 -1.07 0.00 0.00 179.97 180.54 2ctn h SER 84 N 0.77 0.50 0.00 7.04 0.02 -1.58 -3.29 113.55 117.01 2ctn h SER 84 Ca 0.34 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2ctn h SER 84 Cb 0.31 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2ctn h SER 84 CO -0.12 0.31 0.00 0.23 -1.14 0.00 0.00 176.83 176.11 2ctn n MET 85 N -4.82 0.00 -2.42 3.45 2.81 -0.66 -4.70 117.12 110.78 2ctn n MET 85 Ca 0.10 0.04 -0.06 0.00 -1.81 0.00 0.00 57.70 55.96 2ctn n MET 85 Cb 0.22 -0.60 -0.00 0.00 -0.71 0.00 0.00 33.22 32.12 2ctn n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2ctn n LYS 86 N -0.14 -2.58 -0.01 0.03 0.00 -1.24 -4.69 118.16 109.52 2ctn n LYS 86 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 58.31 58.58 2ctn n LYS 86 Cb 0.00 -4.82 -0.02 0.00 0.00 0.00 0.00 35.03 30.20 2ctn n LYS 86 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2ctn n ASP 87 N -1.57 4.12 -3.72 3.14 5.68 -1.26 -4.87 116.55 118.07 2ctn n ASP 87 Ca -0.07 -0.01 -0.28 0.00 -0.50 0.00 0.00 54.79 53.94 2ctn n ASP 87 Cb 0.54 0.29 -0.11 0.00 -1.14 0.00 0.00 41.12 40.69 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2ctn n ASP 88 N -2.31 2.24 0.00 -1.12 -0.08 -1.26 -5.32 116.55 108.69 2ctn n ASP 88 Ca -0.05 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.20 2ctn n ASP 88 Cb 0.57 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.33 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12