#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 -3.58 0.07 0.00 -0.08 -1.26 -4.59 116.55 107.12 2ctn n ASP 3 Ca 0.00 1.22 0.06 0.00 -1.51 0.00 0.00 54.79 54.56 2ctn n ASP 3 Cb 0.00 -4.21 0.30 0.00 2.34 0.00 0.00 41.12 39.55 2ctn n ASP 3 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2ctn n ILE 4 N 1.72 1.44 1.66 5.18 -5.35 -1.26 -1.22 119.36 121.52 2ctn n ILE 4 Ca -0.24 0.55 0.06 0.00 -0.27 0.00 0.00 62.75 62.85 2ctn n ILE 4 Cb 0.40 -1.52 0.33 0.00 -1.74 0.00 0.00 39.64 37.11 2ctn n ILE 4 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2ctn n TYR 5 N -1.86 0.00 0.10 4.28 4.02 -1.26 -3.21 117.16 119.23 2ctn n TYR 5 Ca -0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2ctn n TYR 5 Cb 0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.22 2ctn n TYR 5 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 2ctn h LYS 6 N 0.00 0.44 -1.02 -0.72 3.11 -1.41 -3.00 116.57 113.97 2ctn h LYS 6 Ca 0.00 -0.75 0.25 0.00 -2.81 0.00 0.00 60.65 57.34 2ctn h LYS 6 Cb 0.00 0.28 -0.09 0.00 -1.00 0.00 0.00 32.23 31.42 2ctn h LYS 6 CO 0.00 1.35 0.65 0.00 -2.81 0.00 0.00 179.45 178.64 2ctn h ALA 7 N 0.17 2.15 0.15 5.00 0.00 -1.78 0.42 119.26 125.38 2ctn h ALA 7 Ca -0.30 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 2ctn h ALA 7 Cb 2.12 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.94 2ctn h ALA 7 CO 0.22 -0.54 -0.90 0.00 0.00 0.00 0.00 179.25 178.02 2ctn h ALA 8 N 1.63 -0.10 0.00 0.00 0.00 -1.78 -3.25 119.26 115.77 2ctn h ALA 8 Ca 0.58 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2ctn h ALA 8 Cb 1.39 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2ctn h ALA 8 CO -0.30 0.42 -0.06 0.28 0.00 0.00 0.00 179.25 179.59 2ctn h VAL 9 N -0.31 0.37 0.00 0.00 2.07 -0.96 -1.16 116.25 116.25 2ctn h VAL 9 Ca -0.16 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 2ctn h VAL 9 Cb 1.71 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2ctn h VAL 9 CO 0.16 0.06 -0.29 -0.33 0.02 0.00 0.00 177.57 177.20 2ctn h GLU 10 N 0.00 0.00 -0.79 1.57 4.39 -0.27 -2.81 114.58 116.67 2ctn h GLU 10 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2ctn h GLU 10 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2ctn h GLU 10 CO 0.01 0.29 0.02 1.04 -1.16 0.00 0.00 179.01 179.20 2ctn n GLN 11 N -3.38 3.00 -0.91 2.33 6.02 -0.44 -4.92 117.38 119.08 2ctn n GLN 11 Ca 0.00 -1.66 -0.24 0.00 -0.01 0.00 0.00 57.00 55.09 2ctn n GLN 11 Cb 0.50 -1.90 0.20 0.00 1.02 0.00 0.00 30.24 30.06 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 0.30 0.00 -4.46 1.08 4.77 -1.06 -5.06 117.00 112.57 2ctn n LEU 12 Ca 0.16 -0.95 -0.28 0.00 -0.03 0.00 0.00 56.01 54.90 2ctn n LEU 12 Cb 0.77 -0.80 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 2ctn n LEU 12 CO 0.18 -1.85 -0.51 0.42 -1.33 0.00 0.00 177.39 174.30 2ctn s THR 13 N -2.67 2.61 0.55 -5.08 -4.23 -1.26 -4.98 115.64 100.58 2ctn s THR 13 Ca 0.57 -1.71 0.40 0.00 -1.18 0.00 0.00 61.69 59.77 2ctn s THR 13 Cb -0.05 -2.21 0.59 0.00 1.34 0.00 0.00 72.50 72.18 2ctn s THR 13 CO 0.43 0.03 1.74 -0.08 -0.54 0.00 0.00 174.62 176.20 2ctn h GLU 14 N 3.56 0.00 0.00 3.99 4.57 -2.00 1.88 114.58 126.59 2ctn h GLU 14 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2ctn h GLU 14 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2ctn h GLU 14 CO 0.45 0.00 0.00 1.49 -1.18 0.00 0.00 179.01 179.77 2ctn h GLU 15 N 0.00 0.00 0.11 1.92 4.81 -1.99 -2.33 114.58 117.10 2ctn h GLU 15 Ca 0.65 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.61 2ctn h GLU 15 Cb 2.63 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 32.00 2ctn h GLU 15 CO -0.01 0.00 -1.37 1.96 -0.73 0.00 0.00 179.01 178.87 2ctn h GLN 16 N 0.00 0.23 0.00 1.92 1.08 0.26 -3.25 115.11 115.34 2ctn h GLN 16 Ca 0.00 -0.39 -0.12 0.00 -1.45 0.00 0.00 58.65 56.70 2ctn h GLN 16 Cb 0.74 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 2ctn h GLN 16 CO 0.00 1.18 -0.56 0.87 -0.95 0.00 0.00 178.83 179.37 2ctn h LYS 17 N -0.35 0.00 -0.27 1.46 1.57 -1.52 -2.54 116.57 114.93 2ctn h LYS 17 Ca -0.30 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.37 2ctn h LYS 17 Cb 1.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 2ctn h LYS 17 CO 0.05 0.56 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.27 2ctn h ASN 18 N 0.00 0.58 0.04 0.86 -0.26 -1.56 -2.48 115.58 112.77 2ctn h ASN 18 Ca -0.01 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.51 2ctn h ASN 18 Cb 1.14 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 2ctn h ASN 18 CO 0.07 0.86 -0.02 -0.33 -1.06 0.00 0.00 177.43 176.95 2ctn h GLU 19 N 0.49 -0.06 -0.04 0.81 5.08 -1.57 -2.55 114.58 116.73 2ctn h GLU 19 Ca 0.06 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2ctn h GLU 19 Cb 0.78 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2ctn h GLU 19 CO 0.06 0.36 -0.37 0.74 -1.00 0.00 0.00 179.01 178.81 2ctn h PHE 20 N -0.98 -1.09 -0.90 4.33 0.04 -1.53 1.69 116.94 118.51 2ctn h PHE 20 Ca -0.01 0.04 0.13 0.00 2.80 0.00 0.00 57.97 60.93 2ctn h PHE 20 Cb 0.44 0.48 -0.07 0.00 2.20 0.00 0.00 35.95 39.00 2ctn h PHE 20 CO 0.11 -0.38 0.58 0.87 -0.60 0.00 0.00 178.31 178.88 2ctn h LYS 21 N -0.43 0.74 0.47 1.51 6.56 -1.61 0.63 116.57 124.43 2ctn h LYS 21 Ca 0.01 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 2ctn h LYS 21 Cb 0.48 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2ctn h LYS 21 CO -0.27 0.49 -0.22 0.00 -2.06 0.00 0.00 179.45 177.39 2ctn h ALA 22 N 1.59 -0.63 -0.29 3.86 0.00 -0.67 -2.79 119.26 120.32 2ctn h ALA 22 Ca 0.44 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.27 2ctn h ALA 22 Cb 0.63 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2ctn h ALA 22 CO -0.21 -0.58 -0.02 0.00 0.00 0.00 0.00 179.25 178.44 2ctn h ALA 23 N -1.18 0.24 -0.42 0.00 0.00 0.27 -1.40 119.26 116.77 2ctn h ALA 23 Ca -0.06 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2ctn h ALA 23 Cb 0.48 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2ctn h ALA 23 CO 0.10 -0.43 -0.43 0.35 0.00 0.00 0.00 179.25 178.85 2ctn h PHE 24 N 0.06 -1.32 -0.38 0.00 3.04 0.18 0.44 116.94 118.96 2ctn h PHE 24 Ca 0.14 0.07 0.08 0.00 3.98 0.00 0.00 57.97 62.24 2ctn h PHE 24 Cb 0.19 0.63 -0.08 0.00 2.56 0.00 0.00 35.95 39.26 2ctn h PHE 24 CO -0.23 -0.34 -0.14 0.22 -2.02 0.00 0.00 178.31 175.80 2ctn h ASP 25 N -0.22 -0.48 -1.00 0.41 1.82 -1.19 1.25 116.42 117.01 2ctn h ASP 25 Ca 0.07 0.13 0.17 0.00 -0.39 0.00 0.00 57.03 57.01 2ctn h ASP 25 Cb 0.41 0.28 -0.10 0.00 0.68 0.00 0.00 39.33 40.61 2ctn h ASP 25 CO -0.52 -0.17 0.62 0.40 -1.61 0.00 0.00 179.24 177.96 2ctn h ILE 26 N -0.06 0.77 0.00 2.25 2.04 0.11 0.18 117.51 122.80 2ctn h ILE 26 Ca 0.19 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2ctn h ILE 26 Cb 0.34 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2ctn h ILE 26 CO -0.42 0.15 -0.51 -0.26 0.00 0.00 0.00 178.15 177.10 2ctn h PHE 27 N 0.81 0.00 -0.13 1.37 0.04 0.23 -3.23 116.94 116.03 2ctn h PHE 27 Ca 0.55 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.32 2ctn h PHE 27 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 2ctn h PHE 27 CO -0.00 0.09 0.00 0.28 -0.60 0.00 0.00 178.31 178.08 2ctn n VAL 28 N -2.94 0.18 -1.53 -0.55 0.31 0.41 -4.57 118.33 109.62 2ctn n VAL 28 Ca 0.01 -0.22 -0.17 0.00 -0.01 0.00 0.00 64.34 63.96 2ctn n VAL 28 Cb 0.58 0.10 -0.14 0.00 -0.91 0.00 0.00 33.84 33.47 2ctn n VAL 28 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ctn n LEU 29 N -0.07 0.45 0.00 7.52 7.99 -0.73 -1.52 117.00 130.63 2ctn n LEU 29 Ca 0.12 -1.12 0.00 0.00 -0.01 0.00 0.00 56.01 55.00 2ctn n LEU 29 Cb 0.19 -1.20 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 2ctn n LEU 29 CO 0.09 -2.16 0.00 0.61 -1.51 0.00 0.00 177.39 174.42 2ctn n GLY 30 N 6.26 2.88 5.47 -0.72 0.00 -1.26 -5.03 105.19 112.79 2ctn n GLY 30 Ca 0.55 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 -0.01 4.61 0.00 -0.58 -4.54 120.51 120.00 2ctn n ALA 31 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ctn n ALA 31 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 2.66 -0.79 0.00 2.13 -1.26 -4.83 120.64 118.56 2ctn n GLU 32 Ca 0.00 -0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 2ctn n GLU 32 Cb 0.00 -1.04 -0.02 0.00 0.27 0.00 0.00 31.44 30.65 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 -1.90 -0.21 -0.30 4.31 2.03 -1.26 -4.98 116.55 114.23 2ctn n ASP 33 Ca -0.02 -1.60 0.00 0.00 0.52 0.00 0.00 54.79 53.69 2ctn n ASP 33 Cb 0.40 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.06 0.94 3.76 0.27 0.00 -1.26 -5.07 105.19 103.90 2ctn n GLY 34 Ca -0.09 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 2ctn n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctn s SER 35 N -2.72 -0.02 -0.40 1.61 1.04 -1.26 -4.83 113.70 107.11 2ctn s SER 35 Ca 0.00 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.51 2ctn s SER 35 Cb 0.00 0.74 0.11 0.00 0.10 0.00 0.00 66.02 66.97 2ctn s SER 35 CO 0.00 -1.43 0.14 0.27 0.98 0.00 0.00 173.24 173.20 2ctn s ILE 36 N -3.28 2.65 1.02 -1.02 -4.36 -0.97 -4.31 121.20 110.91 2ctn s ILE 36 Ca 0.16 -2.47 -0.17 0.00 -0.26 0.00 0.00 60.65 57.91 2ctn s ILE 36 Cb -0.04 -2.88 0.23 0.00 1.25 0.00 0.00 42.46 41.02 2ctn s ILE 36 CO 0.10 -0.67 1.33 -0.44 0.24 0.00 0.00 174.94 175.50 2ctn s SER 37 N 0.91 2.63 0.64 4.36 0.01 -1.26 -2.37 113.70 118.62 2ctn s SER 37 Ca 0.12 0.21 0.19 0.00 1.31 0.00 0.00 55.95 57.78 2ctn s SER 37 Cb -0.21 -0.18 0.91 0.00 0.21 0.00 0.00 66.02 66.75 2ctn s SER 37 CO -0.06 -3.03 1.48 0.00 0.41 0.00 0.00 173.24 172.04 2ctn h THR 38 N -1.85 0.06 0.08 1.44 1.03 -1.57 1.21 112.91 113.31 2ctn h THR 38 Ca -0.44 0.00 -0.26 0.00 -0.01 0.00 0.00 66.41 65.70 2ctn h THR 38 Cb 1.22 0.29 -0.01 0.00 -1.07 0.00 0.00 68.15 68.59 2ctn h THR 38 CO 0.32 0.00 -1.19 0.11 -0.01 0.00 0.00 175.52 174.75 2ctn h LYS 39 N 0.00 0.18 0.00 0.00 6.56 -1.88 -3.12 116.57 118.31 2ctn h LYS 39 Ca 0.15 -0.30 -0.35 0.00 -1.06 0.00 0.00 60.65 59.09 2ctn h LYS 39 Cb 1.69 0.11 -0.06 0.00 -0.57 0.00 0.00 32.23 33.40 2ctn h LYS 39 CO -0.00 1.13 -2.32 0.39 -2.06 0.00 0.00 179.45 176.58 2ctn n GLU 40 N -3.46 0.80 0.07 3.15 -0.58 0.30 -4.39 120.64 116.53 2ctn n GLU 40 Ca -0.06 0.05 -0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2ctn n GLU 40 Cb 1.00 -1.48 0.30 0.00 -0.57 0.00 0.00 31.44 30.68 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 0.34 -0.52 -4.62 7.12 0.93 -3.14 115.31 115.41 2ctn h LEU 41 Ca -0.52 -0.09 0.05 0.00 0.13 0.00 0.00 57.88 57.45 2ctn h LEU 41 Cb 2.02 -0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 41.98 2ctn h LEU 41 CO -0.02 0.55 -0.50 1.23 -0.13 0.00 0.00 178.44 179.56 2ctn h GLY 42 N 0.92 -1.11 2.00 3.75 0.00 -1.70 1.19 103.07 108.12 2ctn h GLY 42 Ca 0.06 0.77 0.00 0.00 0.00 0.00 0.00 47.33 48.16 2ctn h GLY 42 CO 0.03 -0.16 0.00 0.50 0.00 0.00 0.00 176.54 176.92 2ctn h LYS 43 N -0.24 0.00 0.00 4.80 1.57 -1.81 -1.34 116.57 119.55 2ctn h LYS 43 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2ctn h LYS 43 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2ctn h LYS 43 CO -0.62 0.00 -0.50 0.28 -0.57 0.00 0.00 179.45 178.04 2ctn h VAL 44 N 0.00 0.05 0.00 0.50 2.07 0.12 -3.16 116.25 115.83 2ctn h VAL 44 Ca 0.00 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2ctn h VAL 44 Cb 0.18 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2ctn h VAL 44 CO 0.00 0.03 -0.07 0.24 0.02 0.00 0.00 177.57 177.79 2ctn h MET 45 N 0.00 0.00 0.00 1.57 2.86 0.94 -3.31 114.93 116.99 2ctn h MET 45 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2ctn h MET 45 Cb 1.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 2ctn h MET 45 CO 0.00 0.50 -0.20 -0.09 1.06 0.00 0.00 176.91 178.19 2ctn h ARG 46 N -1.00 0.00 0.00 1.72 2.43 -1.71 -2.09 114.38 113.74 2ctn h ARG 46 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ctn h ARG 46 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2ctn h ARG 46 CO -0.01 0.20 0.00 0.00 -1.51 0.00 0.00 179.97 178.65 2ctn n MET 47 N -3.81 0.93 0.00 0.20 0.00 -1.19 -4.40 117.12 108.84 2ctn n MET 47 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 2ctn n MET 47 Cb 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.04 2ctn n MET 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2ctn n LEU 48 N -0.98 0.00 -1.44 3.17 4.77 -0.79 -5.01 117.00 116.71 2ctn n LEU 48 Ca 0.21 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 2ctn n LEU 48 Cb 0.10 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2ctn n LEU 48 CO 0.16 0.00 0.42 0.61 -1.33 0.00 0.00 177.39 177.25 2ctn n GLY 49 N 3.18 0.91 0.00 -0.72 0.00 -1.23 -5.13 105.19 102.20 2ctn n GLY 49 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.39 0.84 -2.68 1.61 6.02 -1.20 -5.07 117.38 116.50 2ctn n GLN 50 Ca -0.25 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.70 2ctn n GLN 50 Cb 0.75 0.00 0.11 0.00 1.02 0.00 0.00 30.24 32.12 2ctn n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ctn n ASN 51 N -0.70 -1.45 -4.76 1.08 5.15 -1.26 -4.41 115.26 108.91 2ctn n ASN 51 Ca 0.00 -2.21 -0.30 0.00 -0.60 0.00 0.00 54.58 51.47 2ctn n ASN 51 Cb 0.00 1.29 0.12 0.00 -0.53 0.00 0.00 39.78 40.66 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 0.10 1.52 0.49 1.20 0.04 -1.26 -5.06 135.00 132.02 2ctn s PRO 52 Ca 0.21 0.66 0.06 0.00 0.04 0.00 0.00 61.00 61.97 2ctn s PRO 52 Cb 0.29 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 33.01 2ctn s PRO 52 CO -0.17 -2.02 0.67 0.95 0.04 0.00 0.00 177.00 176.47 2ctn s THR 53 N -3.07 2.78 0.20 1.26 -4.23 -1.26 -4.97 115.64 106.35 2ctn s THR 53 Ca 0.62 -0.90 0.16 0.00 -1.18 0.00 0.00 61.69 60.40 2ctn s THR 53 Cb -0.16 -2.88 0.08 0.00 1.34 0.00 0.00 72.50 70.88 2ctn s THR 53 CO 0.55 0.00 1.69 1.55 -0.54 0.00 0.00 174.62 177.87 2ctn h PRO 54 N 0.39 0.00 0.01 3.99 0.13 -2.00 -1.92 132.00 132.60 2ctn h PRO 54 Ca -0.39 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.64 2ctn h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2ctn h PRO 54 CO 0.46 0.46 -0.51 0.93 -0.23 0.00 0.00 178.00 179.12 2ctn h GLU 55 N 0.00 0.02 0.00 0.86 4.39 -2.03 -3.32 114.58 114.50 2ctn h GLU 55 Ca -0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2ctn h GLU 55 Cb 0.97 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2ctn h GLU 55 CO 0.06 1.02 -0.09 1.49 -1.16 0.00 0.00 179.01 180.33 2ctn h GLU 56 N -0.94 0.00 -0.30 2.33 4.81 -1.97 -3.14 114.58 115.37 2ctn h GLU 56 Ca -0.13 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2ctn h GLU 56 Cb 1.16 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 2ctn h GLU 56 CO -0.06 0.09 -0.51 -0.07 -0.73 0.00 0.00 179.01 177.73 2ctn h LEU 57 N 0.00 -1.67 0.35 1.64 3.38 -1.44 1.03 115.31 118.60 2ctn h LEU 57 Ca -0.00 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2ctn h LEU 57 Cb 0.32 0.68 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2ctn h LEU 57 CO 0.01 -0.42 -0.40 -0.61 0.09 0.00 0.00 178.44 177.10 2ctn h GLN 58 N -0.45 -0.74 -0.88 1.13 -0.00 -1.73 -2.14 115.11 110.29 2ctn h GLN 58 Ca 0.08 0.05 0.18 0.00 -0.00 0.00 0.00 58.65 58.96 2ctn h GLN 58 Cb 0.62 0.17 -0.11 0.00 0.00 0.00 0.00 27.48 28.17 2ctn h GLN 58 CO -0.53 -0.49 0.44 0.93 0.00 0.00 0.00 178.83 179.18 2ctn h GLU 59 N -0.77 0.54 -0.22 1.69 5.08 -1.58 -0.34 114.58 118.98 2ctn h GLU 59 Ca -0.04 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2ctn h GLU 59 Cb 0.68 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 2ctn h GLU 59 CO -0.08 0.36 -0.45 1.98 -1.00 0.00 0.00 179.01 179.82 2ctn h MET 60 N 0.55 -0.38 -0.09 2.33 4.05 0.18 -1.90 114.93 119.67 2ctn h MET 60 Ca 0.51 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.95 2ctn h MET 60 Cb 0.83 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2ctn h MET 60 CO -0.43 -0.26 0.03 0.82 0.23 0.00 0.00 176.91 177.31 2ctn h ILE 61 N -0.40 1.14 -1.35 1.77 5.03 -1.06 -2.37 117.51 120.27 2ctn h ILE 61 Ca 0.04 -0.43 0.39 0.00 -0.12 0.00 0.00 64.86 64.75 2ctn h ILE 61 Cb 0.52 1.27 -0.05 0.00 -3.03 0.00 0.00 36.82 35.52 2ctn h ILE 61 CO -0.42 0.12 1.23 -0.78 -0.68 0.00 0.00 178.15 177.62 2ctn h ASP 62 N -0.02 0.00 0.03 1.72 3.58 -0.51 2.32 116.42 123.55 2ctn h ASP 62 Ca 0.03 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.31 2ctn h ASP 62 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2ctn h ASP 62 CO -0.00 0.00 -0.89 -0.33 -2.88 0.00 0.00 179.24 175.13 2ctn h GLU 63 N 0.00 0.07 0.00 0.28 5.08 -0.83 -3.35 114.58 115.83 2ctn h GLU 63 Ca 0.64 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2ctn h GLU 63 Cb 3.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.38 2ctn h GLU 63 CO -0.01 1.06 -0.23 -0.39 -1.00 0.00 0.00 179.01 178.44 2ctn h VAL 64 N -0.81 0.00 -2.87 3.13 -1.51 -0.23 -3.45 116.25 110.51 2ctn h VAL 64 Ca -0.22 -0.54 -0.53 0.00 -1.23 0.00 0.00 66.70 64.18 2ctn h VAL 64 Cb 1.33 1.39 0.03 0.00 -2.13 0.00 0.00 31.29 31.92 2ctn h VAL 64 CO -0.07 0.00 0.84 -0.62 -1.23 0.00 0.00 177.57 176.50 2ctn s ASP 65 N -4.60 6.68 0.00 4.19 -1.08 0.75 -4.88 116.67 117.72 2ctn s ASP 65 Ca 0.09 2.48 0.25 0.00 -0.52 0.00 0.00 52.55 54.84 2ctn s ASP 65 Cb 0.12 -2.59 0.34 0.00 -1.46 0.00 0.00 42.92 39.33 2ctn s ASP 65 CO 0.65 -0.77 1.34 -1.84 0.52 0.00 0.00 175.17 175.07 2ctn n GLU 66 N 4.25 2.14 0.00 4.34 0.00 -1.26 -4.25 120.64 125.86 2ctn n GLU 66 Ca 0.13 -1.69 0.00 0.00 0.00 0.00 0.00 57.16 55.60 2ctn n GLU 66 Cb 0.40 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.38 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 1.05 0.34 -3.14 -1.84 5.75 -1.26 -5.06 116.55 112.38 2ctn n ASP 67 Ca 0.15 -1.06 -0.11 0.00 -0.01 0.00 0.00 54.79 53.76 2ctn n ASP 67 Cb 0.55 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ctn n GLY 68 N -0.03 -1.12 0.00 6.12 0.00 -1.26 -4.95 105.19 103.96 2ctn n GLY 68 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.21 0.00 -1.63 1.61 3.41 -1.26 -4.98 113.62 109.56 2ctn n SER 69 Ca -0.01 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.51 2ctn n SER 69 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.00 0.44 3.42 5.00 0.00 -1.26 -4.89 105.19 107.89 2ctn n GLY 70 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.97 2.65 -0.34 2.61 -4.23 -1.26 -1.33 115.64 111.77 2ctn s THR 71 Ca 0.00 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2ctn s THR 71 Cb 0.00 -2.03 0.10 0.00 1.34 0.00 0.00 72.50 71.92 2ctn s THR 71 CO 0.00 0.51 0.10 -0.69 -0.54 0.00 0.00 174.62 174.01 2ctn s VAL 72 N -0.75 1.34 0.00 2.29 1.01 -1.00 -4.89 120.40 118.41 2ctn s VAL 72 Ca 0.12 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2ctn s VAL 72 Cb -0.10 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2ctn s VAL 72 CO 0.01 -0.68 0.00 -0.90 0.00 0.00 0.00 175.10 173.53 2ctn n ASP 73 N 4.51 0.00 -3.13 3.32 5.75 -1.26 -2.30 116.55 123.44 2ctn n ASP 73 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.64 2ctn n ASP 73 Cb 0.41 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.90 0.02 2.11 7.35 -1.26 -3.06 117.46 123.52 2ctn n PHE 74 Ca 0.00 -1.46 0.00 0.00 -0.76 0.00 0.00 57.45 55.23 2ctn n PHE 74 Cb 0.00 -1.30 0.00 0.00 0.35 0.00 0.00 39.48 38.53 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 4.58 -0.37 0.22 -2.13 2.03 -1.26 -4.90 116.55 114.72 2ctn n ASP 75 Ca 0.30 0.12 0.16 0.00 0.52 0.00 0.00 54.79 55.88 2ctn n ASP 75 Cb 0.09 0.58 0.77 0.00 -0.72 0.00 0.00 41.12 41.85 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 0.24 -0.67 5.08 -1.89 -2.33 114.58 115.01 2ctn h GLU 76 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 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 -0.12 0.35 -1.00 0.00 0.00 179.01 178.24 2ctn h PHE 77 N 0.00 -0.30 0.00 4.33 3.57 -1.80 0.15 116.94 122.90 2ctn h PHE 77 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2ctn h PHE 77 Cb 0.14 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2ctn h PHE 77 CO 0.00 0.08 0.00 -0.07 -2.23 0.00 0.00 178.31 176.09 2ctn h LEU 78 N -0.85 0.00 0.01 0.59 3.38 -1.78 -2.42 115.31 114.25 2ctn h LEU 78 Ca -0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.67 2ctn h LEU 78 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2ctn h LEU 78 CO 0.05 0.00 -1.43 0.58 0.09 0.00 0.00 178.44 177.73 2ctn h VAL 79 N 0.00 1.20 0.00 1.22 2.07 -1.33 -3.20 116.25 116.21 2ctn h VAL 79 Ca 0.00 -2.98 0.00 0.00 0.82 0.00 0.00 66.70 64.54 2ctn h VAL 79 Cb 0.40 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2ctn h VAL 79 CO 0.00 0.71 0.00 0.80 0.02 0.00 0.00 177.57 179.10 2ctn n MET 80 N -3.21 0.08 -0.12 1.57 0.00 0.53 -2.97 117.12 113.01 2ctn n MET 80 Ca -0.11 0.24 -0.21 0.00 -0.00 0.00 0.00 57.70 57.62 2ctn n MET 80 Cb 1.01 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.63 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 -1.39 0.55 0.18 2.12 2.00 -1.23 -3.49 117.12 115.86 2ctn n MET 81 Ca 0.04 0.18 0.18 0.00 0.00 0.00 0.00 57.70 58.10 2ctn n MET 81 Cb 0.11 -1.42 0.71 0.00 0.00 0.00 0.00 33.22 32.62 2ctn n MET 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2ctn h VAL 82 N -0.43 0.18 0.00 2.03 2.07 -1.53 2.31 116.25 120.88 2ctn h VAL 82 Ca -0.57 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2ctn h VAL 82 Cb 1.68 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2ctn h VAL 82 CO -0.22 0.00 -1.73 -1.14 0.02 0.00 0.00 177.57 174.50 2ctn n ARG 83 N -3.28 0.63 -0.05 1.57 0.63 -1.20 -4.23 116.66 110.73 2ctn n ARG 83 Ca 0.04 -0.12 0.05 0.00 -0.92 0.00 0.00 57.85 56.91 2ctn n ARG 83 Cb 0.61 -1.59 0.07 0.00 0.45 0.00 0.00 32.46 32.01 2ctn n ARG 83 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2ctn n SER 84 N -2.34 2.18 -0.02 6.15 7.64 0.25 -4.62 113.62 122.86 2ctn n SER 84 Ca -0.03 -1.61 -0.13 0.00 1.01 0.00 0.00 58.87 58.11 2ctn n SER 84 Cb 0.56 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 2ctn n SER 84 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2ctn h MET 85 N 2.03 0.02 0.00 1.43 2.86 0.33 -3.47 114.93 118.13 2ctn h MET 85 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ctn h MET 85 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2ctn h MET 85 CO 0.00 0.58 0.00 1.17 1.06 0.00 0.00 176.91 179.72 2ctn n LYS 86 N -4.80 0.00 0.03 1.72 3.00 -1.26 -1.49 118.16 115.35 2ctn n LYS 86 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.14 2ctn n LYS 86 Cb 0.29 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.39 2ctn n LYS 86 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2ctn h ASP 87 N 5.98 0.53 -0.99 3.14 3.58 -2.01 -3.10 116.42 123.55 2ctn h ASP 87 Ca 0.00 -0.29 0.02 0.00 0.42 0.00 0.00 57.03 57.17 2ctn h ASP 87 Cb 0.00 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.85 2ctn h ASP 87 CO 0.00 1.00 0.65 0.44 -2.88 0.00 0.00 179.24 178.45 2ctn h ASP 88 N 0.35 1.12 0.00 2.28 3.32 -1.95 -3.56 116.42 117.97 2ctn h ASP 88 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2ctn h ASP 88 Cb 1.13 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2ctn h ASP 88 CO 0.11 0.80 0.00 -1.54 -1.72 0.00 0.00 179.24 176.89