#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 0.00 0.00 0.00 8.00 -1.26 -5.04 116.55 118.25 2ctn n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2ctn n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ctn n ILE 4 N -0.08 0.00 0.08 0.53 5.41 -1.26 -4.87 119.36 119.16 2ctn n ILE 4 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 2ctn n ILE 4 Cb 0.00 -0.24 0.12 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.00 0.32 -1.14 1.39 0.05 -2.00 -3.09 116.97 112.51 2ctn h TYR 5 Ca 0.00 -0.12 0.32 0.00 0.05 0.00 0.00 58.73 58.98 2ctn h TYR 5 Cb 0.00 -0.06 -0.10 0.00 1.01 0.00 0.00 36.73 37.58 2ctn h TYR 5 CO 0.00 0.79 0.74 -0.22 -1.05 0.00 0.00 178.16 178.42 2ctn h LYS 6 N 0.19 0.26 -0.59 4.88 3.11 -1.95 0.69 116.57 123.15 2ctn h LYS 6 Ca -0.01 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.92 2ctn h LYS 6 Cb 1.11 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.24 2ctn h LYS 6 CO 0.09 0.17 0.40 0.00 -2.81 0.00 0.00 179.45 177.30 2ctn h ALA 7 N 1.59 2.05 0.20 5.00 0.00 -1.87 1.08 119.26 127.30 2ctn h ALA 7 Ca 0.66 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.28 2ctn h ALA 7 Cb 1.90 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.64 2ctn h ALA 7 CO -0.30 -0.18 -1.28 0.00 0.00 0.00 0.00 179.25 177.48 2ctn h ALA 8 N 1.70 -0.07 -0.19 0.00 0.00 0.18 -3.26 119.26 117.63 2ctn h ALA 8 Ca 0.28 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 2ctn h ALA 8 Cb 0.57 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2ctn h ALA 8 CO -0.07 0.64 -0.55 0.28 0.00 0.00 0.00 179.25 179.54 2ctn h VAL 9 N -0.08 1.32 0.00 0.00 2.07 -0.91 -2.63 116.25 116.02 2ctn h VAL 9 Ca -0.23 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2ctn h VAL 9 Cb 1.94 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2ctn h VAL 9 CO 0.20 0.56 0.00 -1.84 0.02 0.00 0.00 177.57 176.51 2ctn n GLU 10 N -3.96 0.01 -0.16 1.57 0.28 0.37 -1.54 120.64 117.21 2ctn n GLU 10 Ca -0.03 0.32 0.07 0.00 -0.16 0.00 0.00 57.16 57.36 2ctn n GLU 10 Cb 0.61 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.13 2ctn n GLU 10 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2ctn n GLN 11 N -1.48 2.36 -0.84 3.44 6.02 -1.00 -5.01 117.38 120.87 2ctn n GLN 11 Ca 0.03 -1.96 -0.29 0.00 -0.01 0.00 0.00 57.00 54.77 2ctn n GLN 11 Cb 0.11 -1.31 0.23 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.03 0.69 -0.01 1.08 1.43 -0.59 -5.02 118.68 115.23 2ctn s LEU 12 Ca 0.25 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2ctn s LEU 12 Cb 0.14 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 2ctn s LEU 12 CO 0.19 -4.06 0.15 0.42 0.23 0.00 0.00 176.35 173.28 2ctn s THR 13 N -2.72 5.25 0.59 5.49 -4.23 -1.26 -4.92 115.64 113.84 2ctn s THR 13 Ca 0.68 -0.21 0.33 0.00 -1.18 0.00 0.00 61.69 61.31 2ctn s THR 13 Cb -0.18 -3.43 0.48 0.00 1.34 0.00 0.00 72.50 70.71 2ctn s THR 13 CO 0.59 0.34 1.54 -0.33 -0.54 0.00 0.00 174.62 176.23 2ctn h GLU 14 N 3.94 0.00 -0.41 3.99 5.08 -1.98 0.97 114.58 126.18 2ctn h GLU 14 Ca -0.49 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.73 2ctn h GLU 14 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2ctn h GLU 14 CO 0.67 0.00 -0.28 1.49 -1.00 0.00 0.00 179.01 179.88 2ctn h GLU 15 N 0.00 0.88 0.11 2.33 4.22 -1.99 0.45 114.58 120.58 2ctn h GLU 15 Ca 0.54 -0.40 -0.16 0.00 0.08 0.00 0.00 59.36 59.42 2ctn h GLU 15 Cb 2.67 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 31.92 2ctn h GLU 15 CO -0.01 1.05 -0.71 1.96 -2.18 0.00 0.00 179.01 179.12 2ctn h GLN 16 N 0.74 0.24 -0.55 1.92 4.20 0.58 -3.16 115.11 119.08 2ctn h GLN 16 Ca 0.09 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 2ctn h GLN 16 Cb 0.84 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2ctn h GLN 16 CO 0.07 1.19 0.14 -0.22 -0.67 0.00 0.00 178.83 179.35 2ctn h LYS 17 N -0.49 0.87 -0.56 1.46 1.63 -1.38 0.30 116.57 118.40 2ctn h LYS 17 Ca -0.13 -0.21 0.06 0.00 -0.85 0.00 0.00 60.65 59.53 2ctn h LYS 17 Cb 1.53 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.99 2ctn h LYS 17 CO 0.11 0.82 0.26 -0.91 -3.45 0.00 0.00 179.45 176.28 2ctn h ASN 18 N 0.77 0.34 0.22 4.20 2.35 -1.02 0.70 115.58 123.15 2ctn h ASN 18 Ca 0.17 0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.79 2ctn h ASN 18 Cb 0.33 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2ctn h ASN 18 CO 0.00 0.23 -0.70 -0.08 -1.65 0.00 0.00 177.43 175.23 2ctn h GLU 19 N 0.49 0.42 0.37 0.81 4.81 -1.47 -2.76 114.58 117.25 2ctn h GLU 19 Ca 0.26 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2ctn h GLU 19 Cb 0.22 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2ctn h GLU 19 CO -0.21 0.96 -0.18 0.74 -0.73 0.00 0.00 179.01 179.59 2ctn h PHE 20 N 0.30 -0.46 -0.92 0.92 0.04 -0.12 0.41 116.94 117.10 2ctn h PHE 20 Ca -0.02 -0.01 0.24 0.00 2.80 0.00 0.00 57.97 60.98 2ctn h PHE 20 Cb 1.26 0.15 -0.13 0.00 2.20 0.00 0.00 35.95 39.43 2ctn h PHE 20 CO 0.04 -0.28 0.43 -0.22 -0.60 0.00 0.00 178.31 177.68 2ctn h LYS 21 N -1.13 0.38 0.02 1.51 1.63 0.27 -0.28 116.57 118.97 2ctn h LYS 21 Ca -0.05 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.59 2ctn h LYS 21 Cb 0.38 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2ctn h LYS 21 CO 0.08 0.25 -0.54 0.00 -3.45 0.00 0.00 179.45 175.79 2ctn h ALA 22 N 1.74 0.04 -0.83 5.00 0.00 -1.53 -3.26 119.26 120.43 2ctn h ALA 22 Ca 0.60 -0.56 0.20 0.00 0.00 0.00 0.00 54.91 55.15 2ctn h ALA 22 Cb 1.18 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 2ctn h ALA 22 CO -0.55 0.29 0.09 0.00 0.00 0.00 0.00 179.25 179.08 2ctn h ALA 23 N 0.27 1.00 -0.41 0.00 0.00 0.15 0.83 119.26 121.12 2ctn h ALA 23 Ca -0.07 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2ctn h ALA 23 Cb 1.28 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2ctn h ALA 23 CO 0.11 -0.45 0.23 0.35 0.00 0.00 0.00 179.25 179.49 2ctn h PHE 24 N 0.13 0.53 -0.10 0.00 3.04 -1.38 0.63 116.94 119.80 2ctn h PHE 24 Ca 0.48 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.32 2ctn h PHE 24 Cb 0.92 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 2ctn h PHE 24 CO -0.38 0.37 -0.47 0.22 -2.02 0.00 0.00 178.31 176.04 2ctn h ASP 25 N 0.56 0.26 0.68 0.41 3.58 0.61 -1.52 116.42 121.00 2ctn h ASP 25 Ca 0.15 -0.12 -0.19 0.00 0.42 0.00 0.00 57.03 57.29 2ctn h ASP 25 Cb 0.00 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 2ctn h ASP 25 CO -0.03 0.69 -1.45 -0.38 -2.88 0.00 0.00 179.24 175.20 2ctn n ILE 26 N -3.98 1.26 0.44 2.25 5.41 -0.57 -3.89 119.36 120.28 2ctn n ILE 26 Ca -0.02 -0.71 0.12 0.00 1.00 0.00 0.00 62.75 63.15 2ctn n ILE 26 Cb 0.52 -0.79 0.27 0.00 -0.71 0.00 0.00 39.64 38.92 2ctn n ILE 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2ctn h PHE 27 N 0.00 0.00 -0.01 1.39 0.04 0.31 -3.13 116.94 115.54 2ctn h PHE 27 Ca -0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.59 2ctn h PHE 27 Cb 1.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.80 2ctn h PHE 27 CO 0.00 0.00 -0.06 0.28 -0.60 0.00 0.00 178.31 177.93 2ctn n VAL 28 N -2.56 0.00 -0.16 -0.55 0.31 -0.58 -3.96 118.33 110.83 2ctn n VAL 28 Ca 0.04 -0.13 0.25 0.00 -0.01 0.00 0.00 64.34 64.49 2ctn n VAL 28 Cb 0.47 0.10 0.67 0.00 -0.91 0.00 0.00 33.84 34.18 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 1.20 0.09 -0.76 7.52 4.07 -1.69 0.95 115.31 126.69 2ctn h LEU 29 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2ctn h LEU 29 Cb 0.35 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2ctn h LEU 29 CO 0.00 0.04 -0.22 0.61 -1.08 0.00 0.00 178.44 177.79 2ctn n GLY 30 N -1.65 -0.15 3.06 0.83 0.00 -1.25 -5.02 105.19 101.01 2ctn n GLY 30 Ca 0.17 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.24 -1.57 0.00 4.61 0.00 0.33 -4.99 120.51 118.65 2ctn n ALA 31 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2ctn n ALA 31 Cb 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2ctn n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ctn n GLU 32 N -1.80 0.00 -1.03 0.00 4.71 -1.26 -4.77 120.64 116.49 2ctn n GLU 32 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.12 2ctn n GLU 32 Cb 0.42 -0.63 0.29 0.00 -1.01 0.00 0.00 31.44 30.51 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2ctn n ASP 33 N -2.46 4.65 -0.68 1.62 -0.08 -1.26 -4.87 116.55 113.47 2ctn n ASP 33 Ca 0.00 -3.28 -0.07 0.00 -1.51 0.00 0.00 54.79 49.93 2ctn n ASP 33 Cb 0.34 -0.75 -0.01 0.00 2.34 0.00 0.00 41.12 43.04 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ctn n GLY 34 N -0.30 0.36 0.49 0.27 0.00 -1.26 -5.00 105.19 99.75 2ctn n GLY 34 Ca 0.42 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 0.78 -0.18 -3.81 1.61 7.64 -1.26 -4.85 113.62 113.55 2ctn n SER 35 Ca -0.08 -1.29 -0.30 0.00 1.01 0.00 0.00 58.87 58.21 2ctn n SER 35 Cb 0.45 0.34 -0.14 0.00 -1.01 0.00 0.00 64.21 63.85 2ctn n SER 35 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ctn s ILE 36 N -2.41 1.59 0.77 0.44 1.01 -0.72 -4.38 121.20 117.50 2ctn s ILE 36 Ca 0.05 -2.31 -0.12 0.00 0.00 0.00 0.00 60.65 58.27 2ctn s ILE 36 Cb -0.00 -2.15 0.05 0.00 0.01 0.00 0.00 42.46 40.38 2ctn s ILE 36 CO 0.03 -0.77 1.13 -0.44 0.00 0.00 0.00 174.94 174.90 2ctn s SER 37 N 0.71 4.84 0.59 3.58 0.01 -1.26 -2.55 113.70 119.62 2ctn s SER 37 Ca 0.14 1.02 0.37 0.00 1.31 0.00 0.00 55.95 58.78 2ctn s SER 37 Cb -0.22 -1.68 1.28 0.00 0.21 0.00 0.00 66.02 65.61 2ctn s SER 37 CO -0.08 -1.72 1.44 0.00 0.41 0.00 0.00 173.24 173.29 2ctn h THR 38 N -0.92 0.02 0.01 1.44 1.03 -1.89 2.18 112.91 114.79 2ctn h THR 38 Ca -0.46 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 65.74 2ctn h THR 38 Cb 1.29 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.38 2ctn h THR 38 CO 0.64 0.00 -0.91 0.11 -0.01 0.00 0.00 175.52 175.35 2ctn h LYS 39 N 0.00 0.16 0.00 0.00 6.56 -1.88 -3.19 116.57 118.22 2ctn h LYS 39 Ca 0.67 -0.19 -0.24 0.00 -1.06 0.00 0.00 60.65 59.83 2ctn h LYS 39 Cb 3.22 0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 34.90 2ctn h LYS 39 CO -0.01 0.96 -1.71 0.39 -2.06 0.00 0.00 179.45 177.02 2ctn n GLU 40 N -3.61 0.64 0.26 3.15 -0.58 0.71 -3.99 120.64 117.21 2ctn n GLU 40 Ca -0.03 0.20 0.13 0.00 -0.42 0.00 0.00 57.16 57.03 2ctn n GLU 40 Cb 0.83 -1.74 0.68 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 0.00 0.00 -4.62 7.12 -0.65 -3.26 115.31 113.90 2ctn h LEU 41 Ca -0.27 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.74 2ctn h LEU 41 Cb 1.83 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.96 2ctn h LEU 41 CO 0.05 0.14 0.00 0.61 -0.13 0.00 0.00 178.44 179.11 2ctn n GLY 42 N -0.49 -2.90 0.36 3.75 0.00 -1.20 0.22 105.19 104.93 2ctn n GLY 42 Ca -0.01 0.37 0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 0.70 -0.66 1.61 1.79 -1.82 -0.31 116.57 117.89 2ctn h LYS 43 Ca 0.00 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2ctn h LYS 43 Cb 0.00 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 2ctn h LYS 43 CO 0.00 0.47 0.43 0.28 -1.08 0.00 0.00 179.45 179.55 2ctn h VAL 44 N 0.73 1.17 -0.42 0.50 2.07 -1.24 -2.37 116.25 116.69 2ctn h VAL 44 Ca 0.57 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.81 2ctn h VAL 44 Cb 0.94 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2ctn h VAL 44 CO -0.36 0.17 0.22 0.24 0.02 0.00 0.00 177.57 177.85 2ctn h MET 45 N 0.89 0.43 0.00 1.57 2.86 0.16 -0.61 114.93 120.23 2ctn h MET 45 Ca 0.24 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2ctn h MET 45 Cb -0.10 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 2ctn h MET 45 CO -0.05 0.28 -0.04 -0.09 1.06 0.00 0.00 176.91 178.07 2ctn h ARG 46 N 0.44 0.00 0.06 1.72 2.43 -1.02 1.35 114.38 119.36 2ctn h ARG 46 Ca 0.18 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2ctn h ARG 46 Cb 0.07 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2ctn h ARG 46 CO -0.11 0.04 -0.39 0.52 -1.51 0.00 0.00 179.97 178.52 2ctn h MET 47 N 0.00 0.14 0.00 0.20 2.86 -0.64 -3.28 114.93 114.21 2ctn h MET 47 Ca -0.00 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2ctn h MET 47 Cb 0.27 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2ctn h MET 47 CO 0.01 1.11 0.00 1.28 1.06 0.00 0.00 176.91 180.37 2ctn n LEU 48 N -4.38 0.64 0.00 1.22 4.77 -0.58 -4.84 117.00 113.82 2ctn n LEU 48 Ca -0.12 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2ctn n LEU 48 Cb 0.64 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2ctn n LEU 48 CO 0.41 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2ctn n GLY 49 N 0.28 0.81 2.92 -0.72 0.00 -0.65 -5.10 105.19 102.74 2ctn n GLY 49 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 0.37 0.12 -0.40 1.61 -0.21 0.45 -4.95 119.66 116.65 2ctn s GLN 50 Ca 0.00 -0.17 0.11 0.00 0.02 0.00 0.00 55.36 55.33 2ctn s GLN 50 Cb 0.00 0.04 0.35 0.00 1.00 0.00 0.00 33.01 34.41 2ctn s GLN 50 CO 0.00 -0.02 0.77 -1.71 -2.12 0.00 0.00 175.29 172.21 2ctn n ASN 51 N 2.61 1.41 -4.30 5.90 5.15 -1.26 -1.75 115.26 123.02 2ctn n ASN 51 Ca -0.16 -3.10 -0.29 0.00 -0.60 0.00 0.00 54.58 50.43 2ctn n ASN 51 Cb 0.58 -0.61 0.20 0.00 -0.53 0.00 0.00 39.78 39.42 2ctn n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ctn s PRO 52 N -2.61 -0.11 0.57 1.20 0.04 -1.26 -5.07 135.00 127.75 2ctn s PRO 52 Ca 0.41 0.14 0.08 0.00 0.04 0.00 0.00 61.00 61.67 2ctn s PRO 52 Cb 0.34 -1.71 0.07 0.00 0.04 0.00 0.00 34.50 33.25 2ctn s PRO 52 CO -0.09 -3.01 0.67 0.95 0.04 0.00 0.00 177.00 175.57 2ctn s THR 53 N -3.13 1.98 0.23 1.26 -4.23 -1.26 -4.99 115.64 105.50 2ctn s THR 53 Ca 0.68 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 2ctn s THR 53 Cb -0.13 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 2ctn s THR 53 CO 0.56 0.00 1.59 1.55 -0.54 0.00 0.00 174.62 177.77 2ctn h PRO 54 N 0.35 0.43 0.09 3.99 0.13 -2.01 -2.54 132.00 132.44 2ctn h PRO 54 Ca -0.32 -0.24 -0.27 0.00 -0.87 0.00 0.00 66.00 64.31 2ctn h PRO 54 Cb 1.29 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.45 2ctn h PRO 54 CO 0.46 0.82 -1.15 1.49 -0.23 0.00 0.00 178.00 179.38 2ctn h GLU 55 N 0.34 0.42 0.00 0.86 4.81 -2.02 -3.18 114.58 115.81 2ctn h GLU 55 Ca 0.02 -0.57 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 2ctn h GLU 55 Cb 0.97 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2ctn h GLU 55 CO 0.08 1.23 -0.17 0.93 -0.73 0.00 0.00 179.01 180.36 2ctn h GLU 56 N 0.18 0.00 0.27 1.92 4.39 -1.93 -2.95 114.58 116.46 2ctn h GLU 56 Ca -0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2ctn h GLU 56 Cb 1.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 2ctn h GLU 56 CO 0.20 0.17 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.01 2ctn h LEU 57 N 0.00 -0.34 -0.79 1.33 3.38 -1.43 0.84 115.31 118.30 2ctn h LEU 57 Ca -0.00 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.12 2ctn h LEU 57 Cb 0.42 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 2ctn h LEU 57 CO 0.02 -0.23 0.36 -0.61 0.09 0.00 0.00 178.44 178.07 2ctn h GLN 58 N -0.38 0.51 -0.93 1.13 5.75 -1.68 0.72 115.11 120.23 2ctn h GLN 58 Ca -0.04 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.49 2ctn h GLN 58 Cb 0.29 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 2ctn h GLN 58 CO 0.05 0.34 0.59 1.49 -2.65 0.00 0.00 178.83 178.65 2ctn h GLU 59 N 0.52 1.06 0.51 1.69 4.57 -1.38 1.05 114.58 122.59 2ctn h GLU 59 Ca 0.43 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 2ctn h GLU 59 Cb 0.63 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2ctn h GLU 59 CO -0.38 0.70 -0.24 0.52 -1.18 0.00 0.00 179.01 178.43 2ctn h MET 60 N 1.09 -0.65 -0.19 1.92 2.86 0.15 -3.09 114.93 117.01 2ctn h MET 60 Ca 0.40 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 58.05 2ctn h MET 60 Cb 0.14 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2ctn h MET 60 CO -0.16 -0.35 -0.00 0.82 1.06 0.00 0.00 176.91 178.27 2ctn h ILE 61 N -1.02 1.12 -1.11 -1.22 2.04 -1.05 -2.17 117.51 114.10 2ctn h ILE 61 Ca -0.07 -0.48 0.31 0.00 1.00 0.00 0.00 64.86 65.62 2ctn h ILE 61 Cb 0.60 0.99 -0.11 0.00 -0.74 0.00 0.00 36.82 37.57 2ctn h ILE 61 CO 0.11 0.16 0.71 -0.78 0.00 0.00 0.00 178.15 178.36 2ctn h ASP 62 N 0.27 0.39 0.07 1.72 3.58 0.12 1.23 116.42 123.81 2ctn h ASP 62 Ca 0.06 0.10 -0.20 0.00 0.42 0.00 0.00 57.03 57.42 2ctn h ASP 62 Cb 0.19 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 2ctn h ASP 62 CO 0.00 0.00 -2.13 -0.62 -2.88 0.00 0.00 179.24 173.61 2ctn n GLU 63 N -4.66 0.67 0.06 0.28 -0.58 -0.91 -4.46 120.64 111.03 2ctn n GLU 63 Ca 0.29 -0.06 -0.22 0.00 -0.42 0.00 0.00 57.16 56.74 2ctn n GLU 63 Cb 1.03 -1.55 -0.15 0.00 -0.57 0.00 0.00 31.44 30.21 2ctn n GLU 63 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2ctn h VAL 64 N 0.00 1.20 -0.05 2.62 2.07 -0.41 -3.39 116.25 118.29 2ctn h VAL 64 Ca -0.29 -2.52 -0.49 0.00 0.82 0.00 0.00 66.70 64.22 2ctn h VAL 64 Cb 1.67 2.93 0.09 0.00 -1.52 0.00 0.00 31.29 34.46 2ctn h VAL 64 CO 0.02 0.76 1.36 -0.67 0.02 0.00 0.00 177.57 179.06 2ctn n ASP 65 N -3.88 1.59 -0.04 0.57 2.03 0.41 -4.65 116.55 112.59 2ctn n ASP 65 Ca -0.20 -2.56 0.22 0.00 0.52 0.00 0.00 54.79 52.77 2ctn n ASP 65 Cb 0.96 -0.95 0.52 0.00 -0.72 0.00 0.00 41.12 40.93 2ctn n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2ctn h GLU 66 N 9.72 0.00 0.00 -0.67 5.08 -1.84 2.11 114.58 128.98 2ctn h GLU 66 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2ctn h GLU 66 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2ctn h GLU 66 CO 1.80 0.00 -0.94 -0.40 -1.00 0.00 0.00 179.01 178.47 2ctn n ASP 67 N -3.30 0.83 -3.08 1.42 5.68 -1.26 -5.00 116.55 111.85 2ctn n ASP 67 Ca 0.15 -0.75 -0.14 0.00 -0.50 0.00 0.00 54.79 53.55 2ctn n ASP 67 Cb 1.13 0.88 0.06 0.00 -1.14 0.00 0.00 41.12 42.05 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 1.48 -0.95 0.00 6.12 0.00 0.71 -4.94 105.19 107.62 2ctn n GLY 68 Ca 0.04 0.49 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 -3.05 1.10 -0.77 1.61 3.41 -1.26 -5.00 113.62 109.66 2ctn n SER 69 Ca -0.07 -0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 58.09 2ctn n SER 69 Cb 0.61 0.97 -0.01 0.00 -0.26 0.00 0.00 64.21 65.51 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 1.30 0.38 3.23 5.00 0.00 -1.26 -5.02 105.19 108.81 2ctn n GLY 70 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.35 0.99 -0.30 2.61 -4.23 -1.26 -3.01 115.64 108.10 2ctn s THR 71 Ca 0.00 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2ctn s THR 71 Cb 0.00 -1.85 0.12 0.00 1.34 0.00 0.00 72.50 72.12 2ctn s THR 71 CO 0.00 -0.74 0.24 -0.69 -0.54 0.00 0.00 174.62 172.89 2ctn s VAL 72 N -3.44 -0.26 0.00 2.29 1.01 -1.06 -4.89 120.40 114.05 2ctn s VAL 72 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2ctn s VAL 72 Cb 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2ctn s VAL 72 CO -0.00 -0.58 0.00 -0.90 0.00 0.00 0.00 175.10 173.61 2ctn n ASP 73 N 5.21 0.00 -3.07 3.32 5.75 -1.26 -1.76 116.55 124.74 2ctn n ASP 73 Ca -0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.59 2ctn n ASP 73 Cb 0.44 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.51 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2ctn n PHE 74 N 0.00 1.02 0.06 2.11 7.35 -1.26 -3.45 117.46 123.28 2ctn n PHE 74 Ca 0.00 -1.61 0.00 0.00 -0.76 0.00 0.00 57.45 55.08 2ctn n PHE 74 Cb 0.00 -1.43 0.00 0.00 0.35 0.00 0.00 39.48 38.40 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 4.21 -1.07 0.23 -2.13 2.03 -1.26 -4.90 116.55 113.67 2ctn n ASP 75 Ca 0.35 0.26 0.17 0.00 0.52 0.00 0.00 54.79 56.10 2ctn n ASP 75 Cb 0.13 1.29 0.87 0.00 -0.72 0.00 0.00 41.12 42.69 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2ctn h GLU 76 N 0.00 0.00 0.79 -0.67 5.08 -1.87 -2.45 114.58 115.45 2ctn h GLU 76 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 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 -0.42 0.35 -1.00 0.00 0.00 179.01 177.94 2ctn h PHE 77 N 0.00 -1.10 0.00 4.33 3.57 -1.82 0.84 116.94 122.77 2ctn h PHE 77 Ca 0.06 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2ctn h PHE 77 Cb 0.42 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2ctn h PHE 77 CO 0.00 -0.65 0.03 -0.07 -2.23 0.00 0.00 178.31 175.38 2ctn h LEU 78 N -1.11 0.00 0.00 0.59 3.38 -1.76 0.17 115.31 116.58 2ctn h LEU 78 Ca -0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 2ctn h LEU 78 Cb 0.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2ctn h LEU 78 CO 0.15 0.00 -0.92 0.58 0.09 0.00 0.00 178.44 178.34 2ctn h VAL 79 N 0.00 0.70 0.00 1.22 2.07 -0.96 -3.22 116.25 116.06 2ctn h VAL 79 Ca 0.00 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.41 2ctn h VAL 79 Cb 0.05 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2ctn h VAL 79 CO 0.00 0.40 0.00 0.80 0.02 0.00 0.00 177.57 178.79 2ctn n MET 80 N -3.07 0.12 -0.05 1.57 0.00 0.59 -2.74 117.12 113.55 2ctn n MET 80 Ca -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 57.70 57.82 2ctn n MET 80 Cb 0.78 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 32.38 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2ctn n MET 81 N -1.40 1.20 0.24 2.12 2.81 -1.22 -3.81 117.12 117.07 2ctn n MET 81 Ca 0.06 -0.06 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 2ctn n MET 81 Cb 0.17 -1.37 0.60 0.00 -0.71 0.00 0.00 33.22 31.91 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 0.74 0.00 2.03 2.07 -1.53 1.14 116.25 120.71 2ctn h VAL 82 Ca -0.25 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 2ctn h VAL 82 Cb 1.48 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2ctn h VAL 82 CO 0.01 0.18 -1.55 0.54 0.02 0.00 0.00 177.57 176.77 2ctn n ARG 83 N -3.75 0.64 -0.12 1.57 1.74 -1.22 -4.16 116.66 111.35 2ctn n ARG 83 Ca -0.02 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.81 2ctn n ARG 83 Cb 0.29 -1.67 -0.12 0.00 -1.02 0.00 0.00 32.46 29.95 2ctn n ARG 83 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ctn n SER 84 N -2.49 1.98 -0.34 0.55 2.88 -0.95 -4.39 113.62 110.86 2ctn n SER 84 Ca -0.03 0.04 0.11 0.00 -1.33 0.00 0.00 58.87 57.66 2ctn n SER 84 Cb 0.59 -0.58 0.30 0.00 -0.75 0.00 0.00 64.21 63.77 2ctn n SER 84 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2ctn h MET 85 N -0.30 0.73 -0.36 -1.46 2.86 0.11 0.26 114.93 116.78 2ctn h MET 85 Ca -0.59 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.11 2ctn h MET 85 Cb 1.82 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.30 2ctn h MET 85 CO -0.17 0.48 0.61 -0.22 1.06 0.00 0.00 176.91 178.68 2ctn h LYS 86 N 0.75 0.00 -6.59 1.72 3.64 -1.73 -3.41 116.57 110.95 2ctn h LYS 86 Ca 0.55 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 59.36 2ctn h LYS 86 Cb 0.82 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 32.72 2ctn h LYS 86 CO -0.37 0.00 0.76 -0.40 -2.27 0.00 0.00 179.45 177.16 2ctn n ASP 87 N -3.26 3.15 -3.87 4.20 5.75 0.91 -1.93 116.55 121.50 2ctn n ASP 87 Ca 0.07 1.11 -0.24 0.00 -0.01 0.00 0.00 54.79 55.72 2ctn n ASP 87 Cb 0.75 -1.46 -0.00 0.00 -1.03 0.00 0.00 41.12 39.38 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2ctn n ASP 88 N 2.80 -0.85 0.00 -1.12 2.03 -1.26 -5.12 116.55 113.03 2ctn n ASP 88 Ca 0.14 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.52 2ctn n ASP 88 Cb 0.31 -3.44 0.00 0.00 -0.72 0.00 0.00 41.12 37.27 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08