#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 -0.57 -0.10 0.00 1.01 -1.26 -5.07 116.67 110.68 2ctn s ASP 3 Ca 0.00 1.04 -0.08 0.00 0.71 0.00 0.00 52.55 54.21 2ctn s ASP 3 Cb 0.00 0.99 -0.03 0.00 1.01 0.00 0.00 42.92 44.90 2ctn s ASP 3 CO 0.00 -0.19 -0.16 -0.38 0.21 0.00 0.00 175.17 174.65 2ctn n ILE 4 N 3.42 0.93 0.09 0.77 -0.00 -1.26 -4.38 119.36 118.92 2ctn n ILE 4 Ca -0.17 0.30 -0.18 0.00 -0.00 0.00 0.00 62.75 62.69 2ctn n ILE 4 Cb 0.56 -2.06 -0.11 0.00 -0.00 0.00 0.00 39.64 38.04 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 -0.64 0.79 -1.01 1.39 0.05 -1.98 -3.25 116.97 112.32 2ctn h TYR 5 Ca 0.00 -0.49 0.33 0.00 0.05 0.00 0.00 58.73 58.62 2ctn h TYR 5 Cb 0.47 -0.07 -0.15 0.00 1.01 0.00 0.00 36.73 37.99 2ctn h TYR 5 CO -0.20 1.34 0.58 -0.22 -1.05 0.00 0.00 178.16 178.61 2ctn h LYS 6 N 0.22 0.29 -0.93 4.88 3.11 -1.94 0.96 116.57 123.17 2ctn h LYS 6 Ca -0.15 -0.02 0.23 0.00 -2.81 0.00 0.00 60.65 57.90 2ctn h LYS 6 Cb 1.83 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 32.93 2ctn h LYS 6 CO 0.21 0.19 0.62 0.00 -2.81 0.00 0.00 179.45 177.66 2ctn h ALA 7 N 1.85 2.34 0.05 5.00 0.00 -1.76 0.21 119.26 126.96 2ctn h ALA 7 Ca 0.74 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.59 2ctn h ALA 7 Cb 1.73 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.53 2ctn h ALA 7 CO -0.61 -0.64 -0.32 0.00 0.00 0.00 0.00 179.25 177.68 2ctn h ALA 8 N 1.60 -0.03 0.00 0.00 0.00 0.76 -3.23 119.26 118.36 2ctn h ALA 8 Ca 0.48 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ctn h ALA 8 Cb 1.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2ctn h ALA 8 CO -0.16 0.15 0.00 0.28 0.00 0.00 0.00 179.25 179.52 2ctn h VAL 9 N -0.74 0.00 0.00 0.00 2.07 -0.96 -0.50 116.25 116.12 2ctn h VAL 9 Ca -0.06 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 2ctn h VAL 9 Cb 1.25 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2ctn h VAL 9 CO 0.06 0.00 -0.30 -0.08 0.02 0.00 0.00 177.57 177.27 2ctn h GLU 10 N 0.00 0.00 -0.09 1.57 4.81 -0.65 -3.17 114.58 117.05 2ctn h GLU 10 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ctn h GLU 10 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2ctn h GLU 10 CO 0.00 0.15 0.00 1.04 -0.73 0.00 0.00 179.01 179.47 2ctn n GLN 11 N -3.08 2.16 -0.51 1.92 6.02 -0.21 -4.96 117.38 118.71 2ctn n GLN 11 Ca 0.02 -1.69 -0.30 0.00 -0.01 0.00 0.00 57.00 55.02 2ctn n GLN 11 Cb 0.60 -1.47 0.28 0.00 1.02 0.00 0.00 30.24 30.67 2ctn n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ctn s LEU 12 N -1.89 -0.76 0.05 1.08 1.43 -1.12 -5.02 118.68 112.45 2ctn s LEU 12 Ca 0.32 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 54.27 2ctn s LEU 12 Cb 0.20 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2ctn s LEU 12 CO 0.31 -5.14 -0.03 0.42 0.23 0.00 0.00 176.35 172.14 2ctn s THR 13 N -2.42 3.90 0.60 5.49 -4.23 -1.26 -4.96 115.64 112.76 2ctn s THR 13 Ca 0.69 -0.86 0.28 0.00 -1.18 0.00 0.00 61.69 60.62 2ctn s THR 13 Cb -0.12 -2.78 0.40 0.00 1.34 0.00 0.00 72.50 71.33 2ctn s THR 13 CO 0.58 0.26 1.50 -0.33 -0.54 0.00 0.00 174.62 176.08 2ctn h GLU 14 N 3.97 0.00 0.00 3.99 3.07 -2.00 2.08 114.58 125.68 2ctn h GLU 14 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2ctn h GLU 14 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2ctn h GLU 14 CO 0.57 0.00 0.00 1.49 -1.40 0.00 0.00 179.01 179.67 2ctn h GLU 15 N 0.00 0.00 0.11 2.33 4.81 -2.00 -2.77 114.58 117.06 2ctn h GLU 15 Ca 0.41 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.38 2ctn h GLU 15 Cb 2.38 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.76 2ctn h GLU 15 CO -0.00 0.00 -1.35 1.96 -0.73 0.00 0.00 179.01 178.89 2ctn h GLN 16 N 0.00 0.23 0.29 1.92 1.08 0.30 -3.27 115.11 115.66 2ctn h GLN 16 Ca 0.00 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 56.79 2ctn h GLN 16 Cb 0.59 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2ctn h GLN 16 CO 0.00 1.19 -0.14 0.87 -0.95 0.00 0.00 178.83 179.80 2ctn h LYS 17 N -0.35 -0.38 -0.75 1.46 6.56 -1.57 0.81 116.57 122.36 2ctn h LYS 17 Ca -0.29 0.03 0.15 0.00 -1.06 0.00 0.00 60.65 59.48 2ctn h LYS 17 Cb 1.72 0.09 -0.14 0.00 -0.57 0.00 0.00 32.23 33.32 2ctn h LYS 17 CO 0.05 -0.04 -0.17 -0.91 -2.06 0.00 0.00 179.45 176.32 2ctn h ASN 18 N -0.77 -0.67 0.04 0.86 2.35 -1.68 1.29 115.58 117.00 2ctn h ASN 18 Ca -0.04 0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2ctn h ASN 18 Cb 0.50 0.46 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2ctn h ASN 18 CO 0.07 -0.24 -0.02 -0.08 -1.65 0.00 0.00 177.43 175.50 2ctn h GLU 19 N 0.01 -0.05 0.10 0.81 4.81 -1.60 0.15 114.58 118.80 2ctn h GLU 19 Ca 0.37 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.61 2ctn h GLU 19 Cb 0.57 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2ctn h GLU 19 CO -0.77 0.37 -0.17 0.74 -0.73 0.00 0.00 179.01 178.45 2ctn h PHE 20 N -0.49 -0.46 -0.59 0.92 0.04 0.56 0.34 116.94 117.26 2ctn h PHE 20 Ca -0.01 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ctn h PHE 20 Cb 0.45 0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 2ctn h PHE 20 CO 0.07 -0.26 0.35 -0.22 -0.60 0.00 0.00 178.31 177.66 2ctn h LYS 21 N -0.34 0.79 0.03 1.51 3.11 0.16 -1.45 116.57 120.39 2ctn h LYS 21 Ca 0.02 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2ctn h LYS 21 Cb 0.36 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2ctn h LYS 21 CO -0.10 0.56 -0.02 0.00 -2.81 0.00 0.00 179.45 177.08 2ctn h ALA 22 N 1.58 -0.05 0.05 5.00 0.00 -0.14 -2.78 119.26 122.92 2ctn h ALA 22 Ca 0.21 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ctn h ALA 22 Cb -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2ctn h ALA 22 CO -0.04 -0.30 -0.17 0.00 0.00 0.00 0.00 179.25 178.73 2ctn h ALA 23 N 0.45 -0.25 -0.73 0.00 0.00 -0.10 -0.28 119.26 118.36 2ctn h ALA 23 Ca -0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 2ctn h ALA 23 Cb 0.45 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 2ctn h ALA 23 CO 0.01 -0.68 0.15 0.35 0.00 0.00 0.00 179.25 179.07 2ctn h PHE 24 N -0.31 0.22 -0.35 0.00 3.04 -1.31 0.41 116.94 118.64 2ctn h PHE 24 Ca 0.04 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.93 2ctn h PHE 24 Cb 0.35 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 2ctn h PHE 24 CO -0.20 -0.11 -0.20 0.22 -2.02 0.00 0.00 178.31 175.99 2ctn h ASP 25 N 0.24 0.67 0.71 0.41 1.82 -1.11 0.25 116.42 119.40 2ctn h ASP 25 Ca 0.41 -0.22 -0.11 0.00 -0.39 0.00 0.00 57.03 56.71 2ctn h ASP 25 Cb 0.71 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 2ctn h ASP 25 CO -0.53 0.87 -0.54 0.40 -1.61 0.00 0.00 179.24 177.82 2ctn h ILE 26 N 0.59 1.26 0.02 2.25 2.04 0.10 -3.02 117.51 120.76 2ctn h ILE 26 Ca 0.09 -1.94 -0.29 0.00 1.00 0.00 0.00 64.86 63.72 2ctn h ILE 26 Cb 0.67 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 2ctn h ILE 26 CO 0.05 0.53 -1.63 -0.26 0.00 0.00 0.00 178.15 176.84 2ctn h PHE 27 N 0.00 0.09 0.00 1.37 0.04 -0.03 -3.30 116.94 115.12 2ctn h PHE 27 Ca -0.01 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2ctn h PHE 27 Cb 1.04 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.19 2ctn h PHE 27 CO 0.00 1.12 0.00 0.28 -0.60 0.00 0.00 178.31 179.11 2ctn n VAL 28 N -3.17 0.84 -0.14 -0.55 0.31 0.86 -2.98 118.33 113.51 2ctn n VAL 28 Ca -0.16 0.20 0.26 0.00 -0.01 0.00 0.00 64.34 64.62 2ctn n VAL 28 Cb 1.04 -0.96 0.70 0.00 -0.91 0.00 0.00 33.84 33.70 2ctn n VAL 28 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ctn h LEU 29 N 0.00 0.03 -1.77 7.52 4.07 -1.61 0.33 115.31 123.88 2ctn h LEU 29 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ctn h LEU 29 Cb 0.32 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2ctn h LEU 29 CO 0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 2ctn n GLY 30 N -1.68 0.41 0.00 0.83 0.00 -1.16 -5.00 105.19 98.59 2ctn n GLY 30 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.68 0.00 0.00 4.61 0.00 0.12 -4.99 120.51 120.92 2ctn n ALA 31 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2ctn n ALA 31 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.83 2.76 0.00 0.00 2.13 -1.26 -4.90 120.64 118.54 2ctn n GLU 32 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2ctn n GLU 32 Cb 0.00 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 30.83 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2ctn n ASP 33 N -1.70 2.83 0.00 4.31 5.68 -1.26 -5.03 116.55 121.38 2ctn n ASP 33 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2ctn n ASP 33 Cb 0.38 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 34 N 2.06 0.00 3.69 6.12 0.00 -1.26 -5.17 105.19 110.64 2ctn n GLY 34 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ctn n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctn s SER 35 N 0.00 0.21 -0.28 1.61 0.15 -1.26 -4.79 113.70 109.34 2ctn s SER 35 Ca 0.00 -1.13 0.02 0.00 0.70 0.00 0.00 55.95 55.54 2ctn s SER 35 Cb 0.00 0.74 0.08 0.00 -1.71 0.00 0.00 66.02 65.13 2ctn s SER 35 CO 0.00 -1.45 -0.03 -0.63 1.20 0.00 0.00 173.24 172.33 2ctn s ILE 36 N -3.00 1.90 0.68 6.45 1.01 0.21 -4.64 121.20 123.81 2ctn s ILE 36 Ca 0.20 -1.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.06 2ctn s ILE 36 Cb -0.03 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.27 2ctn s ILE 36 CO 0.13 -0.28 1.00 -0.55 0.00 0.00 0.00 174.94 175.24 2ctn s SER 37 N 1.17 5.13 0.39 3.58 0.15 -1.26 -2.18 113.70 120.68 2ctn s SER 37 Ca -0.00 0.66 0.24 0.00 0.70 0.00 0.00 55.95 57.55 2ctn s SER 37 Cb -0.19 -1.43 1.33 0.00 -1.71 0.00 0.00 66.02 64.02 2ctn s SER 37 CO -0.08 -1.42 1.61 0.00 1.20 0.00 0.00 173.24 174.55 2ctn h THR 38 N -0.51 0.10 0.00 6.45 1.03 -1.93 2.56 112.91 120.62 2ctn h THR 38 Ca -0.45 -0.03 -0.09 0.00 -0.01 0.00 0.00 66.41 65.83 2ctn h THR 38 Cb 1.29 -0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.35 2ctn h THR 38 CO 0.61 0.02 -0.43 0.50 -0.01 0.00 0.00 175.52 176.22 2ctn h LYS 39 N 0.10 0.00 0.04 0.00 1.63 -1.91 -2.87 116.57 113.56 2ctn h LYS 39 Ca 0.82 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 60.24 2ctn h LYS 39 Cb 2.29 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.87 2ctn h LYS 39 CO -0.60 0.43 -2.25 0.39 -3.45 0.00 0.00 179.45 173.97 2ctn n GLU 40 N -3.25 0.67 0.25 1.90 -0.58 0.69 -4.25 120.64 116.08 2ctn n GLU 40 Ca 0.02 0.23 0.12 0.00 -0.42 0.00 0.00 57.16 57.10 2ctn n GLU 40 Cb 0.68 -1.59 0.65 0.00 -0.57 0.00 0.00 31.44 30.60 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2ctn h LEU 41 N -0.15 0.00 -1.50 -4.62 5.85 0.33 -2.78 115.31 112.44 2ctn h LEU 41 Ca -0.53 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.40 2ctn h LEU 41 Cb 1.88 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.88 2ctn h LEU 41 CO -0.08 0.16 0.85 1.23 -0.34 0.00 0.00 178.44 180.26 2ctn h GLY 42 N 1.13 0.00 1.68 3.75 0.00 -1.65 1.38 103.07 109.37 2ctn h GLY 42 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2ctn h GLY 42 CO 0.02 0.00 -1.00 0.50 0.00 0.00 0.00 176.54 176.06 2ctn h LYS 43 N 0.00 0.00 0.00 4.80 1.57 -1.77 -3.27 116.57 117.90 2ctn h LYS 43 Ca 0.35 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.06 2ctn h LYS 43 Cb 2.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.34 2ctn h LYS 43 CO -0.00 0.63 -0.31 0.28 -0.57 0.00 0.00 179.45 179.48 2ctn h VAL 44 N 0.00 0.61 0.12 0.50 2.07 0.17 -3.08 116.25 116.64 2ctn h VAL 44 Ca -0.07 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 2ctn h VAL 44 Cb 1.64 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 2ctn h VAL 44 CO 0.09 0.30 -0.06 0.24 0.02 0.00 0.00 177.57 178.16 2ctn h MET 45 N 0.00 -0.16 -0.25 1.57 2.86 -1.47 -1.88 114.93 115.60 2ctn h MET 45 Ca -0.00 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2ctn h MET 45 Cb 1.05 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2ctn h MET 45 CO 0.04 0.32 0.17 -0.09 1.06 0.00 0.00 176.91 178.41 2ctn h ARG 46 N -0.82 0.23 0.00 1.72 1.12 -1.58 0.23 114.38 115.27 2ctn h ARG 46 Ca -0.02 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.70 2ctn h ARG 46 Cb 0.55 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.44 2ctn h ARG 46 CO 0.03 0.15 -0.68 0.00 -3.11 0.00 0.00 179.97 176.35 2ctn h MET 47 N 0.23 0.00 0.14 0.20 -0.00 -1.56 -3.32 114.93 110.62 2ctn h MET 47 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.48 2ctn h MET 47 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2ctn h MET 47 CO -0.02 0.67 -1.62 -0.07 -0.00 0.00 0.00 176.91 175.88 2ctn h LEU 48 N 0.00 0.46 0.00 -0.10 3.38 -0.41 -3.48 115.31 115.17 2ctn h LEU 48 Ca -0.01 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2ctn h LEU 48 Cb 1.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2ctn h LEU 48 CO 0.09 1.56 0.00 0.61 0.09 0.00 0.00 178.44 180.79 2ctn n GLY 49 N 1.73 0.37 3.04 0.83 0.00 0.29 -5.09 105.19 106.36 2ctn n GLY 49 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 2ctn n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctn s GLN 50 N 0.00 0.93 -0.39 1.61 -1.52 0.54 -4.99 119.66 115.84 2ctn s GLN 50 Ca 0.00 -0.37 0.12 0.00 -1.95 0.00 0.00 55.36 53.16 2ctn s GLN 50 Cb 0.00 -0.89 0.42 0.00 -0.22 0.00 0.00 33.01 32.33 2ctn s GLN 50 CO 0.00 0.20 0.98 -1.71 -0.25 0.00 0.00 175.29 174.51 2ctn n ASN 51 N 2.97 2.75 -3.80 5.90 2.85 -1.26 -2.82 115.26 121.85 2ctn n ASN 51 Ca -0.15 -3.17 -0.30 0.00 -0.11 0.00 0.00 54.58 50.85 2ctn n ASN 51 Cb 0.56 -0.52 0.24 0.00 1.24 0.00 0.00 39.78 41.29 2ctn n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2ctn s PRO 52 N -3.22 -1.11 0.54 1.20 0.04 -1.26 -5.07 135.00 126.12 2ctn s PRO 52 Ca 0.37 -0.14 0.09 0.00 0.04 0.00 0.00 61.00 61.37 2ctn s PRO 52 Cb 0.41 -1.62 0.07 0.00 0.04 0.00 0.00 34.50 33.40 2ctn s PRO 52 CO -0.07 -3.63 0.71 0.95 0.04 0.00 0.00 177.00 175.00 2ctn s THR 53 N -3.11 2.23 0.10 1.26 -4.23 -1.26 -4.98 115.64 105.65 2ctn s THR 53 Ca 0.72 -1.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.02 2ctn s THR 53 Cb -0.09 -2.29 -0.13 0.00 1.34 0.00 0.00 72.50 71.34 2ctn s THR 53 CO 0.56 0.00 1.34 1.55 -0.54 0.00 0.00 174.62 177.53 2ctn h PRO 54 N 0.33 0.76 -0.12 3.99 0.13 -1.99 -2.09 132.00 133.01 2ctn h PRO 54 Ca -0.32 -0.54 -0.03 0.00 -0.87 0.00 0.00 66.00 64.24 2ctn h PRO 54 Cb 1.29 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 2ctn h PRO 54 CO 0.44 1.16 -0.04 0.93 -0.23 0.00 0.00 178.00 180.26 2ctn h GLU 55 N 0.49 0.23 -0.32 0.86 4.39 -2.01 -2.91 114.58 115.32 2ctn h GLU 55 Ca -0.01 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 2ctn h GLU 55 Cb 1.19 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 2ctn h GLU 55 CO 0.12 0.55 0.05 0.93 -1.16 0.00 0.00 179.01 179.50 2ctn h GLU 56 N -0.09 0.47 0.45 2.33 3.07 -1.97 -3.03 114.58 115.81 2ctn h GLU 56 Ca 0.03 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2ctn h GLU 56 Cb 0.47 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2ctn h GLU 56 CO 0.01 0.47 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.81 2ctn h LEU 57 N 0.46 -0.51 -0.77 1.33 3.38 -1.24 -0.83 115.31 117.13 2ctn h LEU 57 Ca 0.11 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2ctn h LEU 57 Cb 0.23 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.01 2ctn h LEU 57 CO 0.00 -0.36 -0.56 -0.61 0.09 0.00 0.00 178.44 177.00 2ctn h GLN 58 N -0.60 -0.15 -0.77 1.13 5.75 -1.51 0.32 115.11 119.28 2ctn h GLN 58 Ca -0.06 0.01 0.16 0.00 -0.15 0.00 0.00 58.65 58.61 2ctn h GLN 58 Cb 0.46 0.03 -0.10 0.00 1.07 0.00 0.00 27.48 28.94 2ctn h GLN 58 CO 0.10 -0.10 0.28 0.93 -2.65 0.00 0.00 178.83 177.39 2ctn h GLU 59 N -0.15 0.38 -0.20 1.69 5.08 -1.52 0.13 114.58 119.98 2ctn h GLU 59 Ca 0.14 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 2ctn h GLU 59 Cb 0.49 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 2ctn h GLU 59 CO -0.81 0.25 -0.24 0.52 -1.00 0.00 0.00 179.01 177.73 2ctn h MET 60 N 0.39 -0.26 0.55 2.33 2.86 0.11 -1.54 114.93 119.38 2ctn h MET 60 Ca 0.44 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.07 2ctn h MET 60 Cb 0.71 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.44 2ctn h MET 60 CO -0.45 -0.17 -0.27 0.82 1.06 0.00 0.00 176.91 177.90 2ctn h ILE 61 N -0.27 0.31 -1.11 -1.22 5.03 -0.58 -2.15 117.51 117.51 2ctn h ILE 61 Ca 0.12 -0.37 0.32 0.00 -0.12 0.00 0.00 64.86 64.82 2ctn h ILE 61 Cb 0.46 0.42 -0.04 0.00 -3.03 0.00 0.00 36.82 34.63 2ctn h ILE 61 CO -0.36 0.04 1.12 -0.78 -0.68 0.00 0.00 178.15 177.49 2ctn h ASP 62 N -1.01 0.00 0.00 1.72 3.58 -0.83 2.25 116.42 122.13 2ctn h ASP 62 Ca -0.08 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.24 2ctn h ASP 62 Cb 0.64 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2ctn h ASP 62 CO 0.12 0.00 -0.74 -0.08 -2.88 0.00 0.00 179.24 175.66 2ctn h GLU 63 N 0.00 0.00 0.00 0.28 4.81 -0.93 -3.38 114.58 115.36 2ctn h GLU 63 Ca 0.53 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.62 2ctn h GLU 63 Cb 2.77 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.13 2ctn h GLU 63 CO -0.01 0.99 -0.77 -0.39 -0.73 0.00 0.00 179.01 178.10 2ctn h VAL 64 N -1.00 0.91 -2.33 0.32 -1.51 -0.10 -3.46 116.25 109.08 2ctn h VAL 64 Ca -0.20 -2.35 -0.61 0.00 -1.23 0.00 0.00 66.70 62.30 2ctn h VAL 64 Cb 1.17 2.41 0.12 0.00 -2.13 0.00 0.00 31.29 32.86 2ctn h VAL 64 CO -0.12 0.52 -0.12 -0.67 -1.23 0.00 0.00 177.57 175.95 2ctn n ASP 65 N -3.17 0.27 -0.49 4.19 -0.08 0.73 -4.86 116.55 113.14 2ctn n ASP 65 Ca -0.01 1.07 0.13 0.00 -1.51 0.00 0.00 54.79 54.47 2ctn n ASP 65 Cb 0.79 -1.20 0.36 0.00 2.34 0.00 0.00 41.12 43.42 2ctn n ASP 65 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ctn n GLU 66 N 0.63 1.49 -0.28 -0.67 0.28 -1.26 -4.22 120.64 116.60 2ctn n GLU 66 Ca 0.11 -0.99 0.00 0.00 -0.16 0.00 0.00 57.16 56.13 2ctn n GLU 66 Cb 0.35 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.74 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ctn n ASP 67 N 0.11 0.00 -3.91 -1.84 5.68 -1.26 -5.03 116.55 110.30 2ctn n ASP 67 Ca 0.15 -1.33 -0.40 0.00 -0.50 0.00 0.00 54.79 52.72 2ctn n ASP 67 Cb 0.40 -0.07 0.03 0.00 -1.14 0.00 0.00 41.12 40.35 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 0.00 -0.93 0.00 6.12 0.00 -1.26 -4.86 105.19 104.26 2ctn n GLY 68 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.36 1.88 -3.57 1.61 3.41 -1.26 -5.00 113.62 108.33 2ctn n SER 69 Ca -0.11 -1.92 -0.20 0.00 -0.26 0.00 0.00 58.87 56.37 2ctn n SER 69 Cb 0.58 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.46 -0.38 3.22 5.00 0.00 -1.26 -4.99 105.19 106.31 2ctn n GLY 70 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.44 0.10 -0.10 2.61 -4.23 -1.26 -3.70 115.64 105.63 2ctn s THR 71 Ca 0.15 -0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 59.78 2ctn s THR 71 Cb -0.07 -1.01 0.05 0.00 1.34 0.00 0.00 72.50 72.82 2ctn s THR 71 CO 0.76 -0.47 0.19 -0.69 -0.54 0.00 0.00 174.62 173.88 2ctn s VAL 72 N -2.85 -0.31 0.00 2.29 1.01 -0.93 -4.90 120.40 114.72 2ctn s VAL 72 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2ctn s VAL 72 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2ctn s VAL 72 CO -0.05 0.13 0.00 -0.90 0.00 0.00 0.00 175.10 174.27 2ctn n ASP 73 N 5.33 0.18 0.31 3.32 5.75 -1.26 -0.62 116.55 129.57 2ctn n ASP 73 Ca -0.05 0.00 0.19 0.00 -0.01 0.00 0.00 54.79 54.92 2ctn n ASP 73 Cb 0.50 0.00 1.02 0.00 -1.03 0.00 0.00 41.12 41.61 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2ctn h PHE 74 N 0.00 0.00 0.00 2.11 3.57 -2.00 -0.84 116.94 119.78 2ctn h PHE 74 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ctn h PHE 74 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2ctn h PHE 74 CO 0.00 0.00 0.00 -0.25 -2.23 0.00 0.00 178.31 175.83 2ctn n ASP 75 N -3.21 0.00 -0.30 0.41 9.92 -1.26 -3.70 116.55 118.41 2ctn n ASP 75 Ca -0.02 0.26 0.35 0.00 -0.53 0.00 0.00 54.79 54.84 2ctn n ASP 75 Cb 0.20 -0.47 0.73 0.00 -0.64 0.00 0.00 41.12 40.93 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2ctn h GLU 76 N 0.00 0.00 0.38 -1.24 5.08 -1.90 -1.68 114.58 115.23 2ctn h GLU 76 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ctn h GLU 76 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ctn h GLU 76 CO 0.00 0.00 -0.18 0.35 -1.00 0.00 0.00 179.01 178.18 2ctn h PHE 77 N 0.00 -0.47 -0.26 4.33 3.57 -1.32 0.93 116.94 123.72 2ctn h PHE 77 Ca 0.55 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.11 2ctn h PHE 77 Cb 2.35 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 41.24 2ctn h PHE 77 CO 0.00 -0.29 0.37 -0.07 -2.23 0.00 0.00 178.31 176.09 2ctn h LEU 78 N -0.61 0.00 0.00 0.59 3.38 -1.41 0.65 115.31 117.91 2ctn h LEU 78 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ctn h LEU 78 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2ctn h LEU 78 CO 0.09 0.00 -0.40 0.58 0.09 0.00 0.00 178.44 178.80 2ctn h VAL 79 N 0.00 0.00 0.00 1.22 2.07 -1.09 -3.22 116.25 115.23 2ctn h VAL 79 Ca 0.12 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2ctn h VAL 79 Cb 0.86 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2ctn h VAL 79 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 2ctn n MET 80 N -2.72 0.23 -0.00 1.57 2.81 0.22 -2.67 117.12 116.56 2ctn n MET 80 Ca 0.03 0.32 0.10 0.00 -1.81 0.00 0.00 57.70 56.33 2ctn n MET 80 Cb 0.51 -1.84 -0.13 0.00 -0.71 0.00 0.00 33.22 31.05 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2ctn n MET 81 N -2.26 0.50 0.10 0.03 2.81 -1.20 -3.77 117.12 113.34 2ctn n MET 81 Ca 0.04 -0.06 -0.05 0.00 -1.81 0.00 0.00 57.70 55.82 2ctn n MET 81 Cb 0.33 -1.45 0.08 0.00 -0.71 0.00 0.00 33.22 31.47 2ctn n MET 81 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ctn h VAL 82 N 0.00 1.46 0.00 2.03 2.07 -1.54 -1.01 116.25 119.26 2ctn h VAL 82 Ca 0.00 -2.30 -0.14 0.00 0.82 0.00 0.00 66.70 65.08 2ctn h VAL 82 Cb 0.62 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2ctn h VAL 82 CO 0.00 0.67 -1.11 -0.09 0.02 0.00 0.00 177.57 177.06 2ctn h ARG 83 N 0.09 0.00 0.00 1.57 2.43 -1.73 -3.31 114.38 113.44 2ctn h ARG 83 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ctn h ARG 83 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2ctn h ARG 83 CO 0.10 0.33 -0.50 0.77 -1.51 0.00 0.00 179.97 179.17 2ctn h SER 84 N 0.00 0.00 -0.53 -3.80 0.02 -1.63 -3.26 113.55 104.36 2ctn h SER 84 Ca -0.10 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2ctn h SER 84 Cb 1.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2ctn h SER 84 CO 0.05 0.04 0.00 0.23 -1.14 0.00 0.00 176.83 176.01 2ctn n MET 85 N -2.45 2.74 -3.53 3.45 2.81 -0.39 -4.66 117.12 115.08 2ctn n MET 85 Ca 0.03 -2.10 -0.13 0.00 -1.81 0.00 0.00 57.70 53.69 2ctn n MET 85 Cb 0.48 -1.61 -0.04 0.00 -0.71 0.00 0.00 33.22 31.34 2ctn n MET 85 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2ctn s LYS 86 N -1.54 1.13 0.00 0.03 2.47 -1.23 -4.88 119.74 115.71 2ctn s LYS 86 Ca 0.38 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.41 2ctn s LYS 86 Cb 0.23 0.51 0.00 0.00 -1.46 0.00 0.00 37.83 37.11 2ctn s LYS 86 CO 0.22 -0.45 0.00 -3.47 0.16 0.00 0.00 175.35 171.81 2ctn n ASP 87 N 0.03 -3.24 0.00 1.43 2.03 -1.26 -4.73 116.55 110.81 2ctn n ASP 87 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2ctn n ASP 87 Cb 0.62 -2.09 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2ctn n ASP 88 N -0.41 0.00 0.00 1.67 5.68 -1.26 -5.13 116.55 117.10 2ctn n ASP 88 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2ctn n ASP 88 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67