#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn n ASP 3 N 0.00 -2.90 0.03 0.00 9.92 -1.26 -4.87 116.55 117.48 2ctn n ASP 3 Ca 0.00 -1.22 -0.10 0.00 -0.53 0.00 0.00 54.79 52.94 2ctn n ASP 3 Cb 0.00 -2.08 -0.08 0.00 -0.64 0.00 0.00 41.12 38.33 2ctn n ASP 3 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2ctn h ILE 4 N -2.27 0.88 0.02 0.53 2.04 -2.04 -3.12 117.51 113.55 2ctn h ILE 4 Ca -0.69 -1.24 -0.21 0.00 1.00 0.00 0.00 64.86 63.73 2ctn h ILE 4 Cb 1.39 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 2ctn h ILE 4 CO 0.56 0.24 -0.95 1.88 0.00 0.00 0.00 178.15 179.88 2ctn h TYR 5 N -0.88 0.24 -0.15 1.37 0.05 -1.93 -3.30 116.97 112.37 2ctn h TYR 5 Ca -0.02 -0.15 0.04 0.00 0.05 0.00 0.00 58.73 58.66 2ctn h TYR 5 Cb 0.53 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.20 2ctn h TYR 5 CO 0.10 1.01 -0.16 -0.22 -1.05 0.00 0.00 178.16 177.84 2ctn h LYS 6 N 0.07 -0.18 -0.45 4.88 3.11 -1.93 0.11 116.57 122.17 2ctn h LYS 6 Ca -0.05 0.01 0.13 0.00 -2.81 0.00 0.00 60.65 57.94 2ctn h LYS 6 Cb 1.62 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.87 2ctn h LYS 6 CO 0.14 -0.12 0.36 0.00 -2.81 0.00 0.00 179.45 177.01 2ctn h ALA 7 N 0.87 2.34 0.02 5.00 0.00 -1.62 -1.67 119.26 124.20 2ctn h ALA 7 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2ctn h ALA 7 Cb 0.34 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ctn h ALA 7 CO -0.26 -0.59 -0.29 0.00 0.00 0.00 0.00 179.25 178.11 2ctn h ALA 8 N 1.71 0.01 0.00 0.00 0.00 -0.97 -3.15 119.26 116.86 2ctn h ALA 8 Ca 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ctn h ALA 8 Cb 0.93 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ctn h ALA 8 CO -0.00 0.11 0.16 0.28 0.00 0.00 0.00 179.25 179.81 2ctn h VAL 9 N -0.56 0.00 0.00 0.00 2.07 -0.15 0.15 116.25 117.75 2ctn h VAL 9 Ca -0.04 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.29 2ctn h VAL 9 Cb 1.09 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 2ctn h VAL 9 CO 0.06 0.00 -0.89 -0.33 0.02 0.00 0.00 177.57 176.42 2ctn h GLU 10 N 0.00 0.00 -0.09 1.57 4.39 -1.41 -3.08 114.58 115.96 2ctn h GLU 10 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ctn h GLU 10 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2ctn h GLU 10 CO 0.00 0.89 0.00 1.04 -1.16 0.00 0.00 179.01 179.78 2ctn n GLN 11 N -3.38 1.31 -0.82 2.33 6.02 0.51 -4.88 117.38 118.46 2ctn n GLN 11 Ca 0.00 -0.47 -0.30 0.00 -0.01 0.00 0.00 57.00 56.23 2ctn n GLN 11 Cb 0.88 -1.27 0.25 0.00 1.02 0.00 0.00 30.24 31.11 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 -1.42 0.22 0.08 1.08 1.43 -1.17 -5.04 118.68 113.86 2ctn s LEU 12 Ca 0.24 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.24 2ctn s LEU 12 Cb 0.12 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2ctn s LEU 12 CO 0.19 -4.44 -0.09 0.42 0.23 0.00 0.00 176.35 172.66 2ctn s THR 13 N -2.72 3.48 0.56 5.49 -4.23 -1.26 -4.96 115.64 111.99 2ctn s THR 13 Ca 0.69 -1.12 0.44 0.00 -1.18 0.00 0.00 61.69 60.52 2ctn s THR 13 Cb -0.13 -2.60 0.64 0.00 1.34 0.00 0.00 72.50 71.76 2ctn s THR 13 CO 0.58 0.19 1.63 -0.33 -0.54 0.00 0.00 174.62 176.15 2ctn h GLU 14 N 3.84 0.00 0.00 3.99 5.08 -1.99 2.07 114.58 127.56 2ctn h GLU 14 Ca -0.48 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 2ctn h GLU 14 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2ctn h GLU 14 CO 0.53 0.00 -0.34 0.93 -1.00 0.00 0.00 179.01 179.13 2ctn h GLU 15 N 0.00 0.00 0.00 2.33 5.08 -1.99 -2.04 114.58 117.96 2ctn h GLU 15 Ca 0.76 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 59.00 2ctn h GLU 15 Cb 3.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 32.39 2ctn h GLU 15 CO -0.01 0.34 -0.72 0.37 -1.00 0.00 0.00 179.01 177.99 2ctn h GLN 16 N 0.00 0.00 -0.31 2.33 4.15 0.30 -3.02 115.11 118.56 2ctn h GLN 16 Ca -0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 2ctn h GLN 16 Cb 0.77 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 2ctn h GLN 16 CO 0.04 0.89 0.14 -0.22 -1.93 0.00 0.00 178.83 177.76 2ctn h LYS 17 N -1.00 0.30 0.53 1.69 3.64 -1.48 -0.95 116.57 119.29 2ctn h LYS 17 Ca -0.19 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 2ctn h LYS 17 Cb 1.09 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2ctn h LYS 17 CO -0.12 0.20 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.10 2ctn h ASN 18 N 0.31 -0.60 -1.00 4.20 2.35 -1.54 -2.48 115.58 116.81 2ctn h ASN 18 Ca 0.13 -0.01 0.21 0.00 -0.55 0.00 0.00 56.30 56.08 2ctn h ASN 18 Cb 0.06 0.16 -0.10 0.00 0.05 0.00 0.00 38.32 38.48 2ctn h ASN 18 CO -0.10 -0.37 0.62 -0.08 -1.65 0.00 0.00 177.43 175.84 2ctn h GLU 19 N -0.79 0.64 0.00 0.81 4.81 -1.39 0.17 114.58 118.83 2ctn h GLU 19 Ca -0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2ctn h GLU 19 Cb 0.58 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2ctn h GLU 19 CO 0.12 0.42 0.00 1.19 -0.73 0.00 0.00 179.01 180.01 2ctn n PHE 20 N -4.73 0.00 -0.26 0.92 3.72 -0.37 -0.23 117.46 116.50 2ctn n PHE 20 Ca 0.24 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.68 2ctn n PHE 20 Cb 0.64 -0.17 0.15 0.00 -0.94 0.00 0.00 39.48 39.17 2ctn n PHE 20 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2ctn h LYS 21 N 0.00 0.07 0.39 -1.08 2.10 -1.35 0.52 116.57 117.22 2ctn h LYS 21 Ca 0.00 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2ctn h LYS 21 Cb 0.00 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 2ctn h LYS 21 CO 0.00 0.05 -0.36 0.00 -2.00 0.00 0.00 179.45 177.13 2ctn h ALA 22 N 1.73 -1.06 -0.86 0.07 0.00 -0.70 -0.04 119.26 118.41 2ctn h ALA 22 Ca 0.41 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.31 2ctn h ALA 22 Cb 0.71 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2ctn h ALA 22 CO -0.70 -1.07 0.56 0.00 0.00 0.00 0.00 179.25 178.03 2ctn h ALA 23 N -1.17 1.83 0.44 0.00 0.00 0.29 -1.72 119.26 118.93 2ctn h ALA 23 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2ctn h ALA 23 Cb 0.64 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ctn h ALA 23 CO -0.03 -0.05 -0.28 0.35 0.00 0.00 0.00 179.25 179.24 2ctn h PHE 24 N 0.69 -0.74 -0.76 0.00 3.04 0.78 0.12 116.94 120.06 2ctn h PHE 24 Ca 0.42 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.53 2ctn h PHE 24 Cb 0.65 0.27 -0.11 0.00 2.56 0.00 0.00 35.95 39.32 2ctn h PHE 24 CO -0.00 -0.41 0.23 0.22 -2.02 0.00 0.00 178.31 176.33 2ctn h ASP 25 N -0.67 0.11 -0.59 0.41 1.82 -0.67 1.58 116.42 118.41 2ctn h ASP 25 Ca -0.06 0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2ctn h ASP 25 Cb 0.54 0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.68 2ctn h ASP 25 CO 0.05 -0.00 0.32 0.40 -1.61 0.00 0.00 179.24 178.40 2ctn h ILE 26 N 0.32 1.20 0.00 2.25 2.04 -1.07 -2.15 117.51 120.10 2ctn h ILE 26 Ca 0.43 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2ctn h ILE 26 Cb 0.74 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2ctn h ILE 26 CO -0.49 0.22 -0.79 -0.26 0.00 0.00 0.00 178.15 176.83 2ctn h PHE 27 N 0.86 0.00 0.00 1.37 0.04 0.21 -3.29 116.94 116.14 2ctn h PHE 27 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 2ctn h PHE 27 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2ctn h PHE 27 CO 0.01 0.00 0.00 1.55 -0.60 0.00 0.00 178.31 179.27 2ctn n VAL 28 N -2.38 0.10 -1.51 -0.55 3.14 0.51 -4.41 118.33 113.22 2ctn n VAL 28 Ca 0.02 0.03 -0.41 0.00 -2.96 0.00 0.00 64.34 61.02 2ctn n VAL 28 Cb 0.49 -0.55 -0.08 0.00 -1.06 0.00 0.00 33.84 32.64 2ctn n VAL 28 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2ctn n LEU 29 N -1.44 1.66 0.00 6.55 7.99 -1.05 0.10 117.00 130.81 2ctn n LEU 29 Ca 0.09 -0.10 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2ctn n LEU 29 Cb 0.29 -1.31 0.00 0.00 -0.11 0.00 0.00 43.42 42.29 2ctn n LEU 29 CO 0.24 -1.13 0.00 0.61 -1.51 0.00 0.00 177.39 175.61 2ctn n GLY 30 N 6.27 0.75 3.08 -0.72 0.00 -1.26 -4.99 105.19 108.31 2ctn n GLY 30 Ca 0.47 0.00 -0.33 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 1.00 -4.17 -0.19 4.61 0.00 0.28 -4.79 120.51 117.26 2ctn n ALA 31 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 53.44 52.18 2ctn n ALA 31 Cb 0.02 -0.98 0.09 0.00 0.00 0.00 0.00 19.45 18.57 2ctn n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ctn h GLU 32 N -1.56 0.39 -1.10 0.00 4.81 -1.88 -3.37 114.58 111.87 2ctn h GLU 32 Ca -0.40 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.47 2ctn h GLU 32 Cb 1.24 -0.09 -0.24 0.00 0.63 0.00 0.00 28.75 30.30 2ctn h GLU 32 CO 0.25 0.26 -0.70 -3.47 -0.73 0.00 0.00 179.01 174.61 2ctn n ASP 33 N -4.99 -2.01 -4.16 1.04 2.03 -1.26 -4.94 116.55 102.27 2ctn n ASP 33 Ca 0.07 -2.91 -0.35 0.00 0.52 0.00 0.00 54.79 52.12 2ctn n ASP 33 Cb 0.23 0.89 -0.05 0.00 -0.72 0.00 0.00 41.12 41.47 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 2.16 -0.43 1.97 0.27 0.00 -1.26 -4.83 105.19 103.07 2ctn n GLY 34 Ca 0.18 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 2ctn n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctn n SER 35 N -2.39 -1.20 -3.77 1.61 7.64 -1.26 -4.91 113.62 109.34 2ctn n SER 35 Ca 0.09 -1.84 -0.30 0.00 1.01 0.00 0.00 58.87 57.83 2ctn n SER 35 Cb 0.47 2.00 -0.15 0.00 -1.01 0.00 0.00 64.21 65.52 2ctn n SER 35 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2ctn s ILE 36 N -2.53 1.03 0.86 0.44 -4.36 -1.16 -4.26 121.20 111.22 2ctn s ILE 36 Ca 0.08 -1.50 -0.12 0.00 -0.26 0.00 0.00 60.65 58.85 2ctn s ILE 36 Cb -0.03 -1.78 0.14 0.00 1.25 0.00 0.00 42.46 42.04 2ctn s ILE 36 CO 0.06 -0.66 1.22 -0.44 0.24 0.00 0.00 174.94 175.35 2ctn s SER 37 N 1.54 3.88 0.60 4.36 0.01 -1.26 -2.06 113.70 120.77 2ctn s SER 37 Ca 0.10 0.43 0.27 0.00 1.31 0.00 0.00 55.95 58.06 2ctn s SER 37 Cb -0.17 -0.72 1.07 0.00 0.21 0.00 0.00 66.02 66.41 2ctn s SER 37 CO -0.23 -2.26 1.45 0.00 0.41 0.00 0.00 173.24 172.62 2ctn h THR 38 N -1.24 0.08 0.00 1.44 1.03 -1.28 2.19 112.91 115.13 2ctn h THR 38 Ca -0.44 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 65.87 2ctn h THR 38 Cb 1.28 0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 2ctn h THR 38 CO 0.51 0.00 -0.63 0.11 -0.01 0.00 0.00 175.52 175.50 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 6.56 -1.89 -3.26 116.57 117.99 2ctn h LYS 39 Ca 0.42 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.70 2ctn h LYS 39 Cb 2.49 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 34.09 2ctn h LYS 39 CO -0.00 0.30 -2.19 0.39 -2.06 0.00 0.00 179.45 175.89 2ctn n GLU 40 N -3.07 0.74 0.12 3.15 -0.58 0.69 -4.43 120.64 117.27 2ctn n GLU 40 Ca -0.00 0.09 0.05 0.00 -0.42 0.00 0.00 57.16 56.88 2ctn n GLU 40 Cb 0.69 -1.42 0.50 0.00 -0.57 0.00 0.00 31.44 30.64 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 0.00 0.24 0.00 -4.62 7.12 -0.12 -3.11 115.31 114.82 2ctn h LEU 41 Ca -0.47 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.53 2ctn h LEU 41 Cb 1.81 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.88 2ctn h LEU 41 CO -0.05 0.22 0.00 0.61 -0.13 0.00 0.00 178.44 179.09 2ctn n GLY 42 N -1.39 -3.06 0.37 3.75 0.00 -1.23 0.22 105.19 103.85 2ctn n GLY 42 Ca 0.00 0.47 0.18 0.00 0.00 0.00 0.00 46.02 46.67 2ctn n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctn h LYS 43 N 0.00 0.00 0.00 1.61 6.56 -1.82 0.39 116.57 123.31 2ctn h LYS 43 Ca 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.49 2ctn h LYS 43 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2ctn h LYS 43 CO 0.00 0.00 -0.89 0.28 -2.06 0.00 0.00 179.45 176.78 2ctn h VAL 44 N 0.00 0.51 0.05 0.50 2.07 -0.16 -3.31 116.25 115.92 2ctn h VAL 44 Ca 0.12 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.72 2ctn h VAL 44 Cb 0.91 2.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.78 2ctn h VAL 44 CO -0.00 0.29 -0.39 -0.03 0.02 0.00 0.00 177.57 177.46 2ctn h MET 45 N 0.00 0.11 -0.06 1.57 -1.53 0.71 -3.28 114.93 112.45 2ctn h MET 45 Ca -0.06 -0.19 0.02 0.00 -3.44 0.00 0.00 59.70 56.02 2ctn h MET 45 Cb 1.37 0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 32.49 2ctn h MET 45 CO 0.04 1.09 0.11 -0.09 0.14 0.00 0.00 176.91 178.20 2ctn h ARG 46 N -0.76 0.00 0.00 0.39 2.43 -1.53 0.67 114.38 115.58 2ctn h ARG 46 Ca -0.08 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2ctn h ARG 46 Cb 1.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2ctn h ARG 46 CO 0.04 0.00 -0.14 0.00 -1.51 0.00 0.00 179.97 178.36 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.64 -3.11 114.93 110.38 2ctn h MET 47 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 2ctn h MET 47 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 2ctn h MET 47 CO -0.00 0.14 -0.06 1.28 -0.00 0.00 0.00 176.91 178.27 2ctn n LEU 48 N -3.14 0.12 0.00 -0.10 4.77 0.22 -4.86 117.00 114.02 2ctn n LEU 48 Ca 0.03 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2ctn n LEU 48 Cb 0.58 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2ctn n LEU 48 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2ctn n GLY 49 N 1.48 1.20 3.05 -0.72 0.00 -1.18 -5.14 105.19 103.88 2ctn n GLY 49 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.04 0.50 -2.68 1.61 1.13 -1.21 -5.03 117.38 111.66 2ctn n GLN 50 Ca 0.00 -3.15 -0.05 0.00 -1.94 0.00 0.00 57.00 51.86 2ctn n GLN 50 Cb 0.00 2.11 0.06 0.00 0.11 0.00 0.00 30.24 32.53 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 -1.67 -1.51 -3.34 1.08 2.85 -1.26 -4.23 115.26 107.17 2ctn n ASN 51 Ca 0.00 -2.20 0.00 0.00 -0.11 0.00 0.00 54.58 52.28 2ctn n ASN 51 Cb 0.56 1.19 0.00 0.00 1.24 0.00 0.00 39.78 42.78 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2ctn n PRO 52 N -0.13 0.88 -4.58 1.20 -0.04 -1.26 -5.08 135.00 125.99 2ctn n PRO 52 Ca -0.11 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.08 2ctn n PRO 52 Cb 0.73 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.06 1.82 -0.09 0.52 -4.23 -1.26 -5.02 115.64 107.31 2ctn s THR 53 Ca 0.00 -2.01 0.30 0.00 -1.18 0.00 0.00 61.69 58.81 2ctn s THR 53 Cb 0.00 -2.94 0.37 0.00 1.34 0.00 0.00 72.50 71.27 2ctn s THR 53 CO 0.00 -0.01 1.87 1.55 -0.54 0.00 0.00 174.62 177.49 2ctn h PRO 54 N 1.86 0.00 0.00 3.99 0.13 -1.98 -2.72 132.00 133.28 2ctn h PRO 54 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2ctn h PRO 54 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ctn h PRO 54 CO 0.78 0.00 -0.17 1.49 -0.23 0.00 0.00 178.00 179.87 2ctn h GLU 55 N 0.00 0.00 0.00 0.86 4.57 -2.01 -3.32 114.58 114.68 2ctn h GLU 55 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2ctn h GLU 55 Cb 0.63 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2ctn h GLU 55 CO 0.00 0.51 -0.03 0.93 -1.18 0.00 0.00 179.01 179.24 2ctn h GLU 56 N -1.00 0.00 0.73 1.92 5.08 -1.98 -2.92 114.58 116.42 2ctn h GLU 56 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2ctn h GLU 56 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 2ctn h GLU 56 CO -0.02 0.03 -0.36 1.25 -1.00 0.00 0.00 179.01 178.91 2ctn h LEU 57 N 0.00 -0.85 -0.26 1.33 6.46 -1.57 0.48 115.31 120.90 2ctn h LEU 57 Ca -0.00 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 2ctn h LEU 57 Cb 0.13 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 2ctn h LEU 57 CO 0.00 -0.60 -0.04 -0.61 -0.62 0.00 0.00 178.44 176.57 2ctn h GLN 58 N -0.99 0.03 -0.80 1.25 5.75 -1.62 -1.65 115.11 117.09 2ctn h GLN 58 Ca -0.10 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 2ctn h GLN 58 Cb 0.76 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.27 2ctn h GLN 58 CO 0.16 0.02 0.42 0.93 -2.65 0.00 0.00 178.83 177.71 2ctn h GLU 59 N 0.03 1.12 0.08 1.69 5.08 -1.50 -0.83 114.58 120.24 2ctn h GLU 59 Ca 0.13 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2ctn h GLU 59 Cb 0.18 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2ctn h GLU 59 CO -0.24 0.83 -0.42 0.52 -1.00 0.00 0.00 179.01 178.70 2ctn h MET 60 N 1.12 -0.57 -0.20 2.33 2.86 0.94 -1.60 114.93 119.82 2ctn h MET 60 Ca 0.28 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 2ctn h MET 60 Cb 0.06 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2ctn h MET 60 CO -0.04 -0.38 0.09 0.82 1.06 0.00 0.00 176.91 178.46 2ctn h ILE 61 N -0.59 1.15 -1.09 -1.22 5.03 -1.40 -2.24 117.51 117.16 2ctn h ILE 61 Ca -0.00 -0.46 0.32 0.00 -0.12 0.00 0.00 64.86 64.60 2ctn h ILE 61 Cb 0.60 1.08 -0.04 0.00 -3.03 0.00 0.00 36.82 35.42 2ctn h ILE 61 CO -0.24 0.15 0.97 -0.78 -0.68 0.00 0.00 178.15 177.57 2ctn h ASP 62 N 0.18 0.00 0.08 1.72 1.82 -0.81 1.81 116.42 121.22 2ctn h ASP 62 Ca 0.07 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.58 2ctn h ASP 62 Cb 0.16 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.17 2ctn h ASP 62 CO -0.01 0.00 -0.60 -0.33 -1.61 0.00 0.00 179.24 176.69 2ctn h GLU 63 N 0.00 0.16 0.22 0.28 5.08 -0.67 -3.37 114.58 116.28 2ctn h GLU 63 Ca 0.52 -0.28 -0.34 0.00 -1.00 0.00 0.00 59.36 58.26 2ctn h GLU 63 Cb 2.45 0.10 0.03 0.00 0.50 0.00 0.00 28.75 31.83 2ctn h GLU 63 CO -0.01 1.13 -1.57 -0.39 -1.00 0.00 0.00 179.01 177.18 2ctn h VAL 64 N -0.64 1.17 -4.21 3.13 -1.51 -0.53 -3.46 116.25 110.20 2ctn h VAL 64 Ca -0.12 -2.66 -0.53 0.00 -1.23 0.00 0.00 66.70 62.16 2ctn h VAL 64 Cb 1.40 2.94 0.17 0.00 -2.13 0.00 0.00 31.29 33.67 2ctn h VAL 64 CO 0.06 0.83 0.34 -0.62 -1.23 0.00 0.00 177.57 176.95 2ctn s ASP 65 N -7.45 3.72 -0.02 4.19 -1.08 0.59 -4.95 116.67 111.66 2ctn s ASP 65 Ca -0.11 2.30 0.03 0.00 -0.52 0.00 0.00 52.55 54.25 2ctn s ASP 65 Cb 0.05 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.97 2ctn s ASP 65 CO 0.91 -2.58 0.92 -1.84 0.52 0.00 0.00 175.17 173.10 2ctn n GLU 66 N -3.29 0.35 -0.00 4.34 0.28 -1.26 -4.78 120.64 116.28 2ctn n GLU 66 Ca 0.13 -1.16 0.00 0.00 -0.16 0.00 0.00 57.16 55.97 2ctn n GLU 66 Cb 0.51 -0.68 -0.01 0.00 1.43 0.00 0.00 31.44 32.69 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 -0.24 3.83 -1.18 -1.84 5.68 -1.26 -5.03 116.55 116.50 2ctn n ASP 67 Ca 0.02 -0.11 -0.03 0.00 -0.50 0.00 0.00 54.79 54.18 2ctn n ASP 67 Cb 0.63 1.03 0.01 0.00 -1.14 0.00 0.00 41.12 41.64 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 2.16 0.49 0.01 6.12 0.00 -1.26 -4.97 105.19 107.73 2ctn n GLY 68 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.46 4.47 -0.03 1.61 3.41 -1.26 -5.00 113.62 116.35 2ctn n SER 69 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2ctn n SER 69 Cb 0.52 0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 65.06 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 2.83 0.47 3.92 5.00 0.00 -1.26 -4.97 105.19 111.18 2ctn n GLY 70 Ca -0.03 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.94 5.17 -0.36 2.61 -4.23 -1.26 -0.74 115.64 114.87 2ctn s THR 71 Ca 0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2ctn s THR 71 Cb 0.00 -3.70 0.14 0.00 1.34 0.00 0.00 72.50 70.27 2ctn s THR 71 CO 0.00 -0.14 0.21 -0.69 -0.54 0.00 0.00 174.62 173.46 2ctn s VAL 72 N -1.85 0.38 0.00 2.29 1.01 -0.87 -4.87 120.40 116.49 2ctn s VAL 72 Ca 0.40 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2ctn s VAL 72 Cb -0.11 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2ctn s VAL 72 CO 0.28 -0.95 0.00 -0.90 0.00 0.00 0.00 175.10 173.53 2ctn n ASP 73 N 4.03 0.00 -3.23 3.32 5.68 -1.26 -3.01 116.55 122.08 2ctn n ASP 73 Ca 0.10 -0.17 -0.22 0.00 -0.50 0.00 0.00 54.79 54.01 2ctn n ASP 73 Cb 0.37 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.32 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2ctn n PHE 74 N -0.29 0.98 0.14 2.11 7.35 -1.26 -3.25 117.46 123.24 2ctn n PHE 74 Ca 0.00 -1.43 0.00 0.00 -0.76 0.00 0.00 57.45 55.26 2ctn n PHE 74 Cb 0.00 -1.32 0.00 0.00 0.35 0.00 0.00 39.48 38.51 2ctn n PHE 74 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ctn n ASP 75 N 5.34 -2.55 0.22 -2.13 -0.08 -1.26 -4.91 116.55 111.19 2ctn n ASP 75 Ca 0.34 0.70 0.15 0.00 -1.51 0.00 0.00 54.79 54.47 2ctn n ASP 75 Cb 0.16 2.54 0.63 0.00 2.34 0.00 0.00 41.12 46.80 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2ctn h GLU 76 N 0.00 0.00 0.02 -0.67 5.08 -1.86 -2.80 114.58 114.35 2ctn h GLU 76 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 -0.01 0.35 -1.00 0.00 0.00 179.01 178.35 2ctn h PHE 77 N 0.00 -0.03 0.00 4.33 3.04 -1.81 0.33 116.94 122.81 2ctn h PHE 77 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2ctn h PHE 77 Cb 0.41 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.93 2ctn h PHE 77 CO 0.00 0.47 0.00 -0.07 -2.02 0.00 0.00 178.31 176.69 2ctn h LEU 78 N -0.54 0.00 0.02 0.59 3.38 -1.83 -2.12 115.31 114.81 2ctn h LEU 78 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2ctn h LEU 78 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2ctn h LEU 78 CO 0.01 0.00 -1.15 0.58 0.09 0.00 0.00 178.44 177.96 2ctn h VAL 79 N 0.00 1.02 0.00 1.22 2.07 -1.35 -3.16 116.25 116.05 2ctn h VAL 79 Ca 0.00 -2.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.26 2ctn h VAL 79 Cb 0.46 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2ctn h VAL 79 CO 0.00 0.41 -0.16 0.00 0.02 0.00 0.00 177.57 177.84 2ctn h MET 80 N -0.89 0.00 0.00 1.57 -0.00 -0.32 -1.43 114.93 113.86 2ctn h MET 80 Ca -0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.35 2ctn h MET 80 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.93 2ctn h MET 80 CO -0.15 0.16 -0.21 0.00 -0.00 0.00 0.00 176.91 176.71 2ctn h MET 81 N 0.00 0.00 -0.19 -0.10 3.00 -1.53 -3.20 114.93 112.91 2ctn h MET 81 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 59.70 59.54 2ctn h MET 81 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.89 2ctn h MET 81 CO 0.02 0.21 -0.54 0.28 0.00 0.00 0.00 176.91 176.88 2ctn h VAL 82 N 0.00 1.32 -0.11 -0.10 2.07 -1.22 -3.03 116.25 115.18 2ctn h VAL 82 Ca -0.00 -1.79 -0.12 0.00 0.82 0.00 0.00 66.70 65.61 2ctn h VAL 82 Cb 1.11 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2ctn h VAL 82 CO 0.03 0.55 -0.48 0.03 0.02 0.00 0.00 177.57 177.72 2ctn h ARG 83 N 0.42 0.29 0.00 1.57 3.08 -1.52 -2.51 114.38 115.71 2ctn h ARG 83 Ca 0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2ctn h ARG 83 Cb 1.08 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2ctn h ARG 83 CO 0.10 0.71 0.00 -1.13 -1.07 0.00 0.00 179.97 178.58 2ctn n SER 84 N -3.97 0.21 0.13 7.04 3.41 -1.15 -1.77 113.62 117.53 2ctn n SER 84 Ca -0.02 0.57 -0.01 0.00 -0.26 0.00 0.00 58.87 59.16 2ctn n SER 84 Cb 0.53 -0.61 0.15 0.00 -0.26 0.00 0.00 64.21 64.02 2ctn n SER 84 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2ctn h MET 85 N 0.00 0.00 -0.01 4.33 2.86 -1.48 -3.24 114.93 117.39 2ctn h MET 85 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ctn h MET 85 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2ctn h MET 85 CO 0.00 0.62 -0.15 0.36 1.06 0.00 0.00 176.91 178.80 2ctn n LYS 86 N -3.63 1.72 0.20 1.72 2.85 -0.77 -4.03 118.16 116.22 2ctn n LYS 86 Ca -0.01 -0.70 0.13 0.00 -1.05 0.00 0.00 58.31 56.68 2ctn n LYS 86 Cb 0.66 -1.09 0.29 0.00 -0.65 0.00 0.00 35.03 34.24 2ctn n LYS 86 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2ctn h ASP 87 N 1.26 0.00 0.00 -5.58 3.58 -1.37 -3.33 116.42 110.98 2ctn h ASP 87 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 2ctn h ASP 87 Cb 0.34 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2ctn h ASP 87 CO 0.00 0.00 -1.48 -0.67 -2.88 0.00 0.00 179.24 174.21 2ctn n ASP 88 N -2.89 3.29 0.00 2.28 2.03 -1.25 -5.08 116.55 114.93 2ctn n ASP 88 Ca 0.04 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2ctn n ASP 88 Cb 0.47 0.64 0.00 0.00 -0.72 0.00 0.00 41.12 41.51 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04