#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d55 s SER 2 N 0.00 4.55 0.01 6.12 1.04 -1.26 -4.64 113.70 119.52 3d55 s SER 2 Ca 0.00 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.30 3d55 s SER 2 Cb 0.00 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 3d55 s SER 2 CO 0.00 -1.71 -0.05 0.27 0.98 0.00 0.00 173.24 172.72 3d55 s ILE 3 N -3.11 0.41 0.68 -1.02 -4.36 -0.68 -5.00 121.20 108.11 3d55 s ILE 3 Ca 0.64 -0.48 -0.15 0.00 -0.26 0.00 0.00 60.65 60.40 3d55 s ILE 3 Cb -0.07 -0.39 0.01 0.00 1.25 0.00 0.00 42.46 43.26 3d55 s ILE 3 CO 0.43 -0.06 1.14 -0.94 0.24 0.00 0.00 174.94 175.76 3d55 s SER 4 N -0.58 4.84 0.22 4.36 1.04 -1.26 -2.21 113.70 120.12 3d55 s SER 4 Ca -0.02 2.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.45 3d55 s SER 4 Cb -0.04 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.81 3d55 s SER 4 CO -0.00 -1.82 1.80 0.00 0.98 0.00 0.00 173.24 174.20 3d55 h ALA 5 N -0.03 0.97 -0.28 5.32 0.00 -1.85 0.24 119.26 123.63 3d55 h ALA 5 Ca -0.47 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3d55 h ALA 5 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3d55 h ALA 5 CO 0.53 0.04 0.17 0.77 0.00 0.00 0.00 179.25 180.76 3d55 h SER 6 N 0.69 0.33 -0.54 0.00 0.02 -1.91 0.46 113.55 112.60 3d55 h SER 6 Ca 0.33 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3d55 h SER 6 Cb 0.27 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3d55 h SER 6 CO -0.22 0.28 0.36 -0.08 -1.14 0.00 0.00 176.83 176.03 3d55 h GLU 7 N 0.36 0.70 -0.54 3.45 4.81 -1.82 -2.48 114.58 119.05 3d55 h GLU 7 Ca 0.10 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 3d55 h GLU 7 Cb 0.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3d55 h GLU 7 CO -0.02 0.46 -0.10 0.00 -0.73 0.00 0.00 179.01 178.62 3d55 h ALA 8 N 1.67 0.74 -0.14 2.92 0.00 0.14 -1.14 119.26 123.45 3d55 h ALA 8 Ca 0.20 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3d55 h ALA 8 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3d55 h ALA 8 CO -0.05 0.65 -0.58 -0.09 0.00 0.00 0.00 179.25 179.18 3d55 h ARG 9 N 0.89 0.44 0.68 0.00 1.12 0.16 0.41 114.38 118.09 3d55 h ARG 9 Ca 0.14 -0.29 -0.03 0.00 -1.11 0.00 0.00 59.98 58.69 3d55 h ARG 9 Cb 0.67 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.66 3d55 h ARG 9 CO 0.05 0.89 -0.39 0.37 -3.11 0.00 0.00 179.97 177.78 3d55 h GLN 10 N 0.33 -0.96 -0.88 0.20 5.75 -1.30 -3.20 115.11 115.05 3d55 h GLN 10 Ca 0.00 0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 3d55 h GLN 10 Cb 1.11 0.22 -0.05 0.00 1.07 0.00 0.00 27.48 29.83 3d55 h GLN 10 CO 0.10 -0.64 0.10 0.54 -2.65 0.00 0.00 178.83 176.28 3d55 n ARG 11 N -4.90 2.30 0.13 1.69 3.00 -0.44 -4.68 116.66 113.75 3d55 n ARG 11 Ca -0.12 -1.34 -0.13 0.00 -0.01 0.00 0.00 57.85 56.24 3d55 n ARG 11 Cb 0.41 -1.72 -0.06 0.00 0.00 0.00 0.00 32.46 31.09 3d55 n ARG 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3d55 h LEU 12 N 1.48 -0.91 -0.30 0.55 5.85 -0.91 0.27 115.31 121.35 3d55 h LEU 12 Ca 0.10 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.98 3d55 h LEU 12 Cb 1.38 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 42.67 3d55 h LEU 12 CO 0.31 -0.41 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.33 3d55 h PHE 13 N -0.56 -1.17 -0.26 1.25 -1.00 -1.86 0.81 116.94 114.15 3d55 h PHE 13 Ca 0.02 0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 3d55 h PHE 13 Cb 0.58 0.56 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 3d55 h PHE 13 CO -0.27 -0.44 0.05 -1.35 -1.61 0.00 0.00 178.31 174.68 3d55 h PRO 14 N -0.38 0.37 -0.53 1.51 0.11 -1.90 -1.99 132.00 129.18 3d55 h PRO 14 Ca 0.12 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3d55 h PRO 14 Cb 0.59 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 3d55 h PRO 14 CO -0.50 0.36 0.13 -0.07 -0.21 0.00 0.00 178.00 177.70 3d55 h LEU 15 N 0.36 0.81 -0.21 2.35 3.38 0.13 -2.68 115.31 119.45 3d55 h LEU 15 Ca 0.09 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3d55 h LEU 15 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3d55 h LEU 15 CO -0.00 0.84 0.13 0.40 0.09 0.00 0.00 178.44 179.89 3d55 h ILE 16 N 0.75 1.09 -0.83 1.22 2.04 0.89 0.29 117.51 122.96 3d55 h ILE 16 Ca 0.17 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3d55 h ILE 16 Cb 0.35 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3d55 h ILE 16 CO 0.00 0.09 0.55 -0.08 0.00 0.00 0.00 178.15 178.71 3d55 h GLU 17 N 0.25 0.98 0.19 2.37 4.81 -1.43 -2.91 114.58 118.85 3d55 h GLU 17 Ca 0.08 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 58.99 3d55 h GLU 17 Cb 0.03 -0.22 0.03 0.00 0.63 0.00 0.00 28.75 29.22 3d55 h GLU 17 CO -0.01 0.65 -1.12 0.37 -0.73 0.00 0.00 179.01 178.16 3d55 h GLN 18 N 1.01 0.43 -0.15 1.92 4.15 -1.11 0.75 115.11 122.12 3d55 h GLN 18 Ca 0.33 -0.71 0.04 0.00 0.77 0.00 0.00 58.65 59.08 3d55 h GLN 18 Cb 0.06 0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3d55 h GLN 18 CO -0.10 1.34 0.11 -0.24 -1.93 0.00 0.00 178.83 178.01 3d55 h VAL 19 N -0.10 0.86 0.05 2.39 3.04 -0.96 0.27 116.25 121.80 3d55 h VAL 19 Ca -0.19 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.22 3d55 h VAL 19 Cb 1.88 0.92 -0.03 0.00 -2.01 0.00 0.00 31.29 32.06 3d55 h VAL 19 CO 0.21 0.00 -1.49 0.78 -1.01 0.00 0.00 177.57 176.06 3d55 h ASN 20 N 0.00 0.17 0.45 3.17 2.35 -1.27 -1.77 115.58 118.68 3d55 h ASN 20 Ca 0.07 -0.68 -0.01 0.00 -0.55 0.00 0.00 56.30 55.12 3d55 h ASN 20 Cb 0.29 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3d55 h ASN 20 CO -0.00 1.62 -0.28 0.74 -1.65 0.00 0.00 177.43 177.85 3d55 h THR 21 N -0.60 0.41 -0.00 2.81 2.02 0.52 -3.30 112.91 114.76 3d55 h THR 21 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3d55 h THR 21 Cb 1.57 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3d55 h THR 21 CO -0.09 0.00 -0.53 -0.90 0.37 0.00 0.00 175.52 174.37 3d55 n ASP 22 N -5.42 0.78 -0.14 4.18 5.68 0.95 -4.95 116.55 117.63 3d55 n ASP 22 Ca -0.11 -0.58 -0.02 0.00 -0.50 0.00 0.00 54.79 53.58 3d55 n ASP 22 Cb 0.32 0.36 -0.01 0.00 -1.14 0.00 0.00 41.12 40.65 3d55 n ASP 22 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3d55 n HIS 23 N -1.24 0.00 -3.38 2.11 8.25 -0.66 -4.99 115.22 115.31 3d55 n HIS 23 Ca 0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.15 3d55 n HIS 23 Cb 0.34 -1.98 -0.08 0.00 1.12 0.00 0.00 29.99 29.40 3d55 n HIS 23 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3d55 s GLN 24 N -2.01 4.16 0.42 -0.41 -0.21 -1.26 -4.82 119.66 115.54 3d55 s GLN 24 Ca 0.00 0.20 -0.26 0.00 0.02 0.00 0.00 55.36 55.32 3d55 s GLN 24 Cb 0.00 -3.55 -0.09 0.00 1.00 0.00 0.00 33.01 30.38 3d55 s GLN 24 CO 0.00 -0.06 1.40 -2.14 -2.12 0.00 0.00 175.29 172.37 3d55 s PRO 25 N 1.39 3.84 -0.04 2.91 0.02 -1.26 -4.65 135.00 137.20 3d55 s PRO 25 Ca 0.19 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.59 3d55 s PRO 25 Cb -0.15 -2.74 -0.03 0.00 0.02 0.00 0.00 34.50 31.60 3d55 s PRO 25 CO 0.08 -0.67 -0.07 0.08 -0.33 0.00 0.00 177.00 176.09 3d55 s VAL 26 N -1.20 3.68 -0.14 3.83 1.01 0.49 -4.94 120.40 123.12 3d55 s VAL 26 Ca 0.58 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 3d55 s VAL 26 Cb -0.42 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3d55 s VAL 26 CO 0.55 0.53 0.07 -0.60 0.00 0.00 0.00 175.10 175.65 3d55 s ARG 27 N -1.02 3.61 -0.11 2.72 3.52 -1.26 -1.34 118.95 125.08 3d55 s ARG 27 Ca 0.14 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 3d55 s ARG 27 Cb -0.11 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.18 3d55 s ARG 27 CO 0.04 0.50 -0.20 0.42 -0.81 0.00 0.00 175.30 175.25 3d55 s ILE 28 N -0.28 1.82 -0.15 4.11 1.01 0.44 -1.69 121.20 126.45 3d55 s ILE 28 Ca 0.09 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 3d55 s ILE 28 Cb -0.12 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 3d55 s ILE 28 CO 0.01 0.50 -0.14 -0.89 0.00 0.00 0.00 174.94 174.43 3d55 s THR 29 N 0.71 2.82 0.21 2.92 2.01 -0.94 0.15 115.64 123.53 3d55 s THR 29 Ca -0.11 -0.72 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 3d55 s THR 29 Cb -0.16 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3d55 s THR 29 CO 0.02 0.51 0.33 -0.94 -0.69 0.00 0.00 174.62 173.85 3d55 s SER 30 N 0.73 0.01 0.38 3.53 1.04 -0.60 -2.56 113.70 116.23 3d55 s SER 30 Ca -0.06 -1.05 0.28 0.00 0.48 0.00 0.00 55.95 55.60 3d55 s SER 30 Cb -0.15 0.49 1.06 0.00 0.10 0.00 0.00 66.02 67.52 3d55 s SER 30 CO 0.01 -0.99 1.82 0.08 0.98 0.00 0.00 173.24 175.14 3d55 h ARG 31 N 2.43 0.00 -0.01 4.02 -0.00 -2.04 -2.38 114.38 116.41 3d55 h ARG 31 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.68 3d55 h ARG 31 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 3d55 h ARG 31 CO 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 179.97 180.36 3d55 n ALA 32 N -1.93 2.68 0.00 0.08 0.00 -1.26 -5.07 120.51 115.02 3d55 n ALA 32 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3d55 n ALA 32 Cb 0.31 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3d55 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d55 n GLY 33 N 1.19 2.31 3.74 0.00 0.00 -0.90 -5.09 105.19 106.44 3d55 n GLY 33 Ca 0.18 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 3d55 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d55 s ASP 34 N 0.00 5.33 0.20 1.61 1.01 -1.26 -1.56 116.67 122.01 3d55 s ASP 34 Ca 0.00 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.22 3d55 s ASP 34 Cb 0.00 -1.39 -0.05 0.00 1.01 0.00 0.00 42.92 42.49 3d55 s ASP 34 CO 0.00 0.20 0.07 0.00 0.21 0.00 0.00 175.17 175.65 3d55 s ALA 35 N -1.30 1.35 -0.02 5.23 0.00 0.12 -4.99 121.76 122.15 3d55 s ALA 35 Ca 0.26 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.56 3d55 s ALA 35 Cb -0.12 0.97 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3d55 s ALA 35 CO 0.18 -0.46 -0.10 0.08 0.00 0.00 0.00 175.76 175.47 3d55 s VAL 36 N -3.88 0.81 -0.09 0.00 1.01 -1.26 -0.42 120.40 116.57 3d55 s VAL 36 Ca 0.32 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3d55 s VAL 36 Cb 0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3d55 s VAL 36 CO 0.09 0.25 -0.15 -0.22 0.00 0.00 0.00 175.10 175.07 3d55 s LEU 37 N 0.08 2.64 0.27 3.92 2.96 -0.45 -4.96 118.68 123.15 3d55 s LEU 37 Ca -0.01 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 3d55 s LEU 37 Cb -0.07 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 3d55 s LEU 37 CO 0.00 0.24 0.45 0.00 -1.32 0.00 0.00 176.35 175.72 3d55 s MET 38 N -0.07 1.63 0.60 1.98 0.23 -1.26 -0.38 119.30 122.02 3d55 s MET 38 Ca -0.03 -1.42 -0.16 0.00 -1.03 0.00 0.00 55.69 53.05 3d55 s MET 38 Cb -0.14 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 3d55 s MET 38 CO 0.04 -0.67 1.07 -1.54 -2.03 0.00 0.00 175.02 171.88 3d55 s SER 39 N -3.09 5.70 0.40 -1.18 1.04 -1.26 -4.85 113.70 110.47 3d55 s SER 39 Ca 0.26 1.85 0.09 0.00 0.48 0.00 0.00 55.95 58.63 3d55 s SER 39 Cb 0.00 -2.54 0.82 0.00 0.10 0.00 0.00 66.02 64.40 3d55 s SER 39 CO 0.12 -1.22 1.97 0.00 0.98 0.00 0.00 173.24 175.09 3d55 h ALA 40 N 0.43 1.59 -0.39 5.32 0.00 -1.98 -2.42 119.26 121.81 3d55 h ALA 40 Ca -0.47 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.17 3d55 h ALA 40 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3d55 h ALA 40 CO 0.57 0.31 -0.30 -0.44 0.00 0.00 0.00 179.25 179.39 3d55 h ASP 41 N 0.34 0.87 -0.63 0.00 3.32 -1.98 0.14 116.42 118.49 3d55 h ASP 41 Ca 0.08 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 3d55 h ASP 41 Cb 0.21 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3d55 h ASP 41 CO 0.00 1.10 0.15 0.44 -1.72 0.00 0.00 179.24 179.22 3d55 h ASP 42 N 0.71 0.95 -0.07 6.45 5.19 -1.84 -0.36 116.42 127.45 3d55 h ASP 42 Ca 0.08 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.23 3d55 h ASP 42 Cb 0.85 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.11 3d55 h ASP 42 CO 0.07 0.93 -0.08 0.22 -3.12 0.00 0.00 179.24 177.27 3d55 h TYR 43 N 0.92 0.21 -0.61 4.55 3.20 -1.08 0.10 116.97 124.26 3d55 h TYR 43 Ca 0.20 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3d55 h TYR 43 Cb 0.35 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3d55 h TYR 43 CO 0.03 0.64 0.39 -0.44 -1.64 0.00 0.00 178.16 177.14 3d55 h ASP 44 N -0.28 0.66 -0.05 -2.11 3.32 -0.67 -1.87 116.42 115.41 3d55 h ASP 44 Ca 0.01 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3d55 h ASP 44 Cb 0.61 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3d55 h ASP 44 CO 0.02 0.47 -0.23 0.00 -1.72 0.00 0.00 179.24 177.78 3d55 h ALA 45 N 1.24 1.14 0.71 3.45 0.00 -0.94 -0.82 119.26 124.04 3d55 h ALA 45 Ca 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3d55 h ALA 45 Cb -0.05 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3d55 h ALA 45 CO -0.07 0.54 -0.34 2.35 0.00 0.00 0.00 179.25 181.73 3d55 h TRP 46 N 0.41 -0.89 -0.14 0.00 2.91 -0.20 -2.01 115.95 116.04 3d55 h TRP 46 Ca 0.06 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.11 3d55 h TRP 46 Cb 0.63 0.29 -0.05 0.00 -0.51 0.00 0.00 29.16 29.52 3d55 h TRP 46 CO 0.02 -0.55 -0.16 1.96 -1.03 0.00 0.00 178.44 178.68 3d55 h GLN 47 N -0.96 -0.19 -0.14 2.65 4.20 -1.37 -2.76 115.11 116.54 3d55 h GLN 47 Ca -0.10 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3d55 h GLN 47 Cb 0.74 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3d55 h GLN 47 CO 0.16 -0.12 -0.00 1.49 -0.67 0.00 0.00 178.83 179.68 3d55 h GLU 48 N -0.19 0.25 -0.76 1.46 4.57 -1.22 -1.33 114.58 117.36 3d55 h GLU 48 Ca 0.10 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3d55 h GLU 48 Cb 0.34 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 3d55 h GLU 48 CO -0.25 0.49 0.50 1.15 -1.18 0.00 0.00 179.01 179.71 3d55 h THR 49 N -0.01 1.20 -0.49 0.32 2.02 -1.42 0.12 112.91 114.65 3d55 h THR 49 Ca 0.04 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 3d55 h THR 49 Cb 0.38 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3d55 h THR 49 CO 0.01 0.20 -0.03 0.58 0.37 0.00 0.00 175.52 176.64 3d55 h VAL 50 N 1.04 1.27 -0.52 3.16 2.07 -1.46 -2.29 116.25 119.52 3d55 h VAL 50 Ca 0.28 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.72 3d55 h VAL 50 Cb -0.11 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3d55 h VAL 50 CO -0.06 0.39 0.28 0.22 0.02 0.00 0.00 177.57 178.42 3d55 h TYR 51 N 0.73 0.52 -0.79 1.57 3.20 -0.57 -2.60 116.97 119.03 3d55 h TYR 51 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3d55 h TYR 51 Cb 0.55 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3d55 h TYR 51 CO 0.04 0.27 0.51 -0.07 -1.64 0.00 0.00 178.16 177.27 3d55 h LEU 52 N 0.55 0.92 0.00 2.82 3.38 -0.60 -2.44 115.31 119.95 3d55 h LEU 52 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3d55 h LEU 52 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3d55 h LEU 52 CO -0.14 0.68 0.00 0.18 0.09 0.00 0.00 178.44 179.25 3d55 n LEU 53 N -4.40 0.00 -0.24 1.67 7.99 -0.88 -2.97 117.00 118.17 3d55 n LEU 53 Ca 0.09 0.34 0.21 0.00 -0.01 0.00 0.00 56.01 56.65 3d55 n LEU 53 Cb 0.04 -0.34 0.37 0.00 -0.11 0.00 0.00 43.42 43.37 3d55 n LEU 53 CO 0.37 -0.15 0.67 0.54 -1.51 0.00 0.00 177.39 177.31 3d55 n ARG 54 N -1.34 -0.02 -3.94 3.23 1.74 -0.92 -3.18 116.66 112.22 3d55 n ARG 54 Ca 0.07 0.74 -0.35 0.00 -0.77 0.00 0.00 57.85 57.54 3d55 n ARG 54 Cb 0.15 -1.41 -0.14 0.00 -1.02 0.00 0.00 32.46 30.04 3d55 n ARG 54 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3d55 s SER 55 N -4.51 4.26 0.52 0.55 0.01 -1.16 -4.98 113.70 108.39 3d55 s SER 55 Ca -0.04 -0.65 0.16 0.00 1.31 0.00 0.00 55.95 56.72 3d55 s SER 55 Cb 0.18 -1.69 1.28 0.00 0.21 0.00 0.00 66.02 66.00 3d55 s SER 55 CO 0.46 -0.08 2.15 -0.65 0.41 0.00 0.00 173.24 175.53 3d55 h PRO 56 N 8.06 0.00 -0.00 12.44 0.11 -1.84 0.58 132.00 151.36 3d55 h PRO 56 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3d55 h PRO 56 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3d55 h PRO 56 CO 0.59 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.32 3d55 h GLU 57 N 0.00 0.00 0.00 1.05 4.39 -1.92 -1.04 114.58 117.07 3d55 h GLU 57 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3d55 h GLU 57 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3d55 h GLU 57 CO -0.00 0.00 0.05 -0.91 -1.16 0.00 0.00 179.01 176.99 3d55 h ASN 58 N 0.00 0.00 -0.02 1.42 -0.26 -1.10 -3.07 115.58 112.54 3d55 h ASN 58 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3d55 h ASN 58 Cb 0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3d55 h ASN 58 CO -0.00 0.00 0.01 0.00 -1.06 0.00 0.00 177.43 176.38 3d55 h ALA 59 N 1.91 0.03 -0.51 -0.83 0.00 -1.35 0.20 119.26 118.70 3d55 h ALA 59 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3d55 h ALA 59 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3d55 h ALA 59 CO 0.00 -0.38 0.16 -0.09 0.00 0.00 0.00 179.25 178.94 3d55 h ARG 60 N -0.14 0.76 -0.04 0.00 2.43 -1.72 -1.49 114.38 114.18 3d55 h ARG 60 Ca 0.01 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 3d55 h ARG 60 Cb 0.18 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3d55 h ARG 60 CO -0.00 0.66 -0.42 0.00 -1.51 0.00 0.00 179.97 178.69 3d55 h ARG 61 N 0.74 0.08 0.47 0.20 3.08 -1.49 -1.30 114.38 116.16 3d55 h ARG 61 Ca 0.17 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3d55 h ARG 61 Cb 0.21 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3d55 h ARG 61 CO -0.01 0.49 -0.23 1.25 -1.07 0.00 0.00 179.97 180.41 3d55 h LEU 62 N 0.07 -0.53 -0.66 3.04 5.85 -0.18 -0.70 115.31 122.20 3d55 h LEU 62 Ca 0.00 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.76 3d55 h LEU 62 Cb 0.78 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.82 3d55 h LEU 62 CO 0.06 -0.17 -0.25 -0.03 -0.34 0.00 0.00 178.44 177.72 3d55 h MET 63 N -0.96 -0.07 -0.42 1.25 4.05 -1.20 -1.30 114.93 116.28 3d55 h MET 63 Ca -0.06 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.23 3d55 h MET 63 Cb 0.59 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 3d55 h MET 63 CO 0.11 -0.05 -0.24 0.93 0.23 0.00 0.00 176.91 177.89 3d55 h GLU 64 N -0.07 0.87 -0.79 0.39 5.08 -1.25 -1.42 114.58 117.39 3d55 h GLU 64 Ca 0.29 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3d55 h GLU 64 Cb 0.53 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3d55 h GLU 64 CO -0.71 1.02 0.38 0.00 -1.00 0.00 0.00 179.01 178.70 3d55 h ALA 65 N 0.97 1.17 -0.20 3.43 0.00 -0.58 0.14 119.26 124.20 3d55 h ALA 65 Ca 0.10 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3d55 h ALA 65 Cb 0.79 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3d55 h ALA 65 CO 0.07 0.63 -0.59 0.28 0.00 0.00 0.00 179.25 179.64 3d55 h VAL 66 N 1.13 1.31 -0.64 0.00 2.07 -1.16 0.36 116.25 119.33 3d55 h VAL 66 Ca 0.27 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 3d55 h VAL 66 Cb 0.12 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3d55 h VAL 66 CO -0.03 0.58 0.39 0.00 0.02 0.00 0.00 177.57 178.52 3d55 h ALA 67 N 0.86 0.81 -0.02 1.67 0.00 -0.87 -1.39 119.26 120.31 3d55 h ALA 67 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3d55 h ALA 67 Cb 1.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3d55 h ALA 67 CO 0.12 0.28 -0.39 0.00 0.00 0.00 0.00 179.25 179.26 3d55 h ARG 68 N 0.86 0.05 -0.75 0.00 3.08 -0.13 -1.37 114.38 116.11 3d55 h ARG 68 Ca 0.23 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 3d55 h ARG 68 Cb -0.03 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3d55 h ARG 68 CO -0.04 0.43 0.25 -0.44 -1.07 0.00 0.00 179.97 179.10 3d55 h ASP 69 N 0.04 1.07 1.43 7.04 3.32 -0.45 -2.99 116.42 125.89 3d55 h ASP 69 Ca 0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 3d55 h ASP 69 Cb 0.70 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3d55 h ASP 69 CO 0.05 0.98 -0.57 0.11 -1.72 0.00 0.00 179.24 178.09 3d55 h LYS 70 N 1.11 0.00 0.89 3.56 1.57 -1.02 -3.31 116.57 119.37 3d55 h LYS 70 Ca 0.24 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3d55 h LYS 70 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.60 3d55 h LYS 70 CO -0.01 0.56 -0.43 0.00 -0.57 0.00 0.00 179.45 179.00 3d55 h ALA 71 N 1.44 -1.20 0.00 3.86 0.00 -1.10 -3.50 119.26 118.77 3d55 h ALA 71 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3d55 h ALA 71 Cb 1.43 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3d55 h ALA 71 CO 0.07 -1.14 0.00 0.41 0.00 0.00 0.00 179.25 178.59 3d55 n GLY 72 N -1.44 0.89 0.17 0.00 0.00 -1.19 -4.78 105.19 98.84 3d55 n GLY 72 Ca -0.15 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 3d55 n GLY 72 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3d55 h HIS 73 N 0.00 0.73 -0.32 1.61 2.76 -1.91 -3.19 115.15 114.83 3d55 h HIS 73 Ca 0.00 -0.40 0.08 0.00 -2.20 0.00 0.00 60.37 57.85 3d55 h HIS 73 Cb 0.00 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.82 3d55 h HIS 73 CO 0.00 1.22 -0.03 0.43 -1.30 0.00 0.00 177.93 178.26 3d55 n SER 74 N -3.77 -0.07 -0.05 3.26 7.64 -1.26 -1.06 113.62 118.31 3d55 n SER 74 Ca -0.08 0.54 -0.13 0.00 1.01 0.00 0.00 58.87 60.22 3d55 n SER 74 Cb 0.85 -0.18 -0.00 0.00 -1.01 0.00 0.00 64.21 63.86 3d55 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d55 h ALA 75 N 0.64 0.56 0.28 -0.43 0.00 -1.85 -3.19 119.26 115.26 3d55 h ALA 75 Ca 0.18 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3d55 h ALA 75 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3d55 h ALA 75 CO -0.31 0.68 -0.43 0.35 0.00 0.00 0.00 179.25 179.54 3d55 h PHE 76 N 0.59 -1.21 -0.62 0.00 3.57 -1.27 -2.57 116.94 115.43 3d55 h PHE 76 Ca 0.02 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.67 3d55 h PHE 76 Cb 1.12 0.49 -0.03 0.00 2.79 0.00 0.00 35.95 40.32 3d55 h PHE 76 CO 0.06 -0.56 0.43 1.15 -2.23 0.00 0.00 178.31 177.16 3d55 h THR 77 N -0.78 0.79 -0.02 4.41 2.02 -1.59 -0.48 112.91 117.27 3d55 h THR 77 Ca -0.01 -0.08 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 3d55 h THR 77 Cb 0.74 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3d55 h THR 77 CO -0.15 0.04 -0.65 0.50 0.37 0.00 0.00 175.52 175.63 3d55 h LYS 78 N 0.24 0.47 -0.19 6.66 3.11 -1.52 -0.66 116.57 124.68 3d55 h LYS 78 Ca 0.30 -0.48 0.02 0.00 -2.81 0.00 0.00 60.65 57.68 3d55 h LYS 78 Cb 0.85 0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 32.17 3d55 h LYS 78 CO -0.06 1.13 -0.27 0.77 -2.81 0.00 0.00 179.45 178.20 3d55 h SER 79 N 0.01 -0.91 -0.80 4.20 0.02 -0.91 -0.84 113.55 114.30 3d55 h SER 79 Ca -0.08 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 3d55 h SER 79 Cb 1.34 0.37 -0.12 0.00 0.14 0.00 0.00 62.40 64.14 3d55 h SER 79 CO 0.13 -0.20 -0.38 0.52 -1.14 0.00 0.00 176.83 175.76 3d55 n VAL 80 N -4.01 -0.48 -0.22 2.27 0.31 -0.27 -1.36 118.33 114.57 3d55 n VAL 80 Ca -0.02 1.91 -0.01 0.00 -0.01 0.00 0.00 64.34 66.21 3d55 n VAL 80 Cb 0.17 -2.46 0.10 0.00 -0.91 0.00 0.00 33.84 30.75 3d55 n VAL 80 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3d55 h ASP 81 N 0.00 0.48 -2.72 4.52 3.32 -0.75 -3.41 116.42 117.86 3d55 h ASP 81 Ca 0.22 0.04 -0.53 0.00 0.02 0.00 0.00 57.03 56.78 3d55 h ASP 81 Cb 0.42 -0.05 0.04 0.00 0.22 0.00 0.00 39.33 39.96 3d55 h ASP 81 CO -0.78 0.30 0.96 -0.70 -1.72 0.00 0.00 179.24 177.31 3d55 s GLU 82 N -6.09 4.19 0.36 3.56 2.56 -0.35 -4.86 118.70 118.07 3d55 s GLU 82 Ca -0.13 2.40 0.04 0.00 0.00 0.00 0.00 54.97 57.28 3d55 s GLU 82 Cb 0.16 -3.36 -0.03 0.00 2.00 0.00 0.00 34.13 32.90 3d55 s GLU 82 CO 0.76 -0.70 0.16 -1.17 -0.56 0.00 0.00 175.26 173.75 3d55 s LEU 83 N 1.89 1.85 0.00 2.70 2.96 -1.26 -4.95 118.68 121.87 3d55 s LEU 83 Ca 0.73 -1.63 0.11 0.00 -0.22 0.00 0.00 54.13 53.12 3d55 s LEU 83 Cb -0.43 0.09 0.63 0.00 0.50 0.00 0.00 46.19 46.98 3d55 s LEU 83 CO 0.32 -0.92 1.07 -2.11 -1.32 0.00 0.00 176.35 173.39