#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8r n SER 2 N 0.00 -1.02 -4.47 1.61 7.64 -1.26 -4.84 113.62 111.29 2d8r n SER 2 Ca 0.00 0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 2d8r n SER 2 Cb 0.00 -0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 62.10 2d8r n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8r s SER 3 N -2.00 6.05 -0.96 6.43 0.15 -1.26 -4.98 113.70 117.13 2d8r s SER 3 Ca 0.08 -0.76 -0.19 0.00 0.70 0.00 0.00 55.95 55.78 2d8r s SER 3 Cb -0.05 -2.14 -0.27 0.00 -1.71 0.00 0.00 66.02 61.85 2d8r s SER 3 CO 0.10 -0.38 2.37 0.61 1.20 0.00 0.00 173.24 177.14 2d8r n GLY 4 N 5.13 -0.44 3.37 9.45 0.00 -1.26 -4.73 105.19 116.71 2d8r n GLY 4 Ca -0.12 0.45 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 2d8r n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8r n SER 5 N 8.74 2.76 0.00 1.61 7.64 -1.26 -4.16 113.62 128.96 2d8r n SER 5 Ca 0.64 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.84 2d8r n SER 5 Cb 0.14 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 2d8r n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d8r n SER 6 N 11.20 0.34 0.21 6.43 2.88 -1.26 -4.74 113.62 128.68 2d8r n SER 6 Ca 0.47 -0.71 0.06 0.00 -1.33 0.00 0.00 58.87 57.36 2d8r n SER 6 Cb 0.44 0.24 0.47 0.00 -0.75 0.00 0.00 64.21 64.61 2d8r n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2d8r h GLY 7 N 0.00 0.00 -2.77 0.46 0.00 -1.98 -3.45 103.07 95.33 2d8r h GLY 7 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2d8r h GLY 7 CO 0.00 0.00 0.11 1.03 0.00 0.00 0.00 176.54 177.68 2d8r n MET 8 N -3.88 0.93 -1.40 4.80 2.81 -1.26 -4.79 117.12 114.32 2d8r n MET 8 Ca -0.02 0.36 -0.39 0.00 -1.81 0.00 0.00 57.70 55.84 2d8r n MET 8 Cb 0.36 -2.14 -0.06 0.00 -0.71 0.00 0.00 33.22 30.67 2d8r n MET 8 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2d8r n PRO 9 N -0.85 1.46 -2.34 0.03 -0.04 -1.26 -4.93 135.00 127.06 2d8r n PRO 9 Ca 0.13 -2.00 -0.37 0.00 -0.04 0.00 0.00 63.50 61.22 2d8r n PRO 9 Cb 0.47 -3.15 -0.02 0.00 -0.04 0.00 0.00 33.50 30.76 2d8r n PRO 9 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2d8r s THR 10 N 6.99 3.29 0.73 0.52 -4.23 -1.26 -5.02 115.64 116.66 2d8r s THR 10 Ca 0.61 0.96 -0.10 0.00 -1.18 0.00 0.00 61.69 61.99 2d8r s THR 10 Cb 0.10 -3.48 0.05 0.00 1.34 0.00 0.00 72.50 70.51 2d8r s THR 10 CO 0.14 -0.02 1.08 0.54 -0.54 0.00 0.00 174.62 175.82 2d8r s ASN 11 N -1.44 4.90 -0.06 3.99 2.20 -1.26 -4.80 114.94 118.47 2d8r s ASN 11 Ca 0.62 0.75 -0.21 0.00 -0.94 0.00 0.00 52.86 53.09 2d8r s ASN 11 Cb -0.26 -1.41 -0.04 0.00 -2.00 0.00 0.00 41.25 37.54 2d8r s ASN 11 CO 0.32 -1.61 0.60 0.00 -2.94 0.00 0.00 177.10 173.47 2d8r h ALA 13 N 6.36 0.88 -0.72 0.00 0.00 -1.87 -3.45 119.26 120.47 2d8r h ALA 13 Ca -0.42 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 2d8r h ALA 13 Cb 1.19 -0.25 0.07 0.00 0.00 0.00 0.00 17.79 18.80 2d8r h ALA 13 CO 0.73 0.24 -0.26 0.00 0.00 0.00 0.00 179.25 179.97 2d8r n ALA 14 N -2.30 -2.48 -2.72 0.00 0.00 -1.26 -4.83 120.51 106.93 2d8r n ALA 14 Ca 0.07 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 2d8r n ALA 14 Cb 0.05 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 2d8r n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8r s ALA 15 N -0.52 3.24 0.00 0.00 0.00 -1.25 -3.66 121.76 119.58 2d8r s ALA 15 Ca 0.52 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2d8r s ALA 15 Cb -0.74 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 18.78 2d8r s ALA 15 CO 0.41 -2.27 0.00 0.41 0.00 0.00 0.00 175.76 174.30 2d8r n GLY 16 N 5.16 0.96 3.83 0.00 0.00 -1.26 -5.06 105.19 108.82 2d8r n GLY 16 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2d8r n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d8r n ALA 18 N 0.22 4.32 -3.71 0.00 0.00 -1.26 -4.89 120.51 115.19 2d8r n ALA 18 Ca 0.00 -4.64 -0.35 0.00 0.00 0.00 0.00 53.44 48.46 2d8r n ALA 18 Cb 0.52 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 2d8r n ALA 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2d8r s THR 19 N -3.69 2.89 0.16 0.00 2.01 -1.26 -4.89 115.64 110.86 2d8r s THR 19 Ca 0.45 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.99 2d8r s THR 19 Cb 0.24 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 70.06 2d8r s THR 19 CO -0.10 -0.14 0.00 0.35 -0.69 0.00 0.00 174.62 174.05 2d8r n THR 20 N 4.59 0.00 0.02 -0.82 -2.24 -1.26 -3.49 114.28 111.07 2d8r n THR 20 Ca -0.12 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2d8r n THR 20 Cb 0.43 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2d8r n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8r n TYR 21 N -2.96 0.00 -1.36 4.78 9.36 -1.26 -4.90 117.16 120.82 2d8r n TYR 21 Ca 0.00 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.38 2d8r n TYR 21 Cb 0.00 -0.02 -0.07 0.00 -0.63 0.00 0.00 39.34 38.62 2d8r n TYR 21 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2d8r n ASN 22 N -2.98 -7.45 0.00 2.98 2.85 -1.26 -4.62 115.26 104.79 2d8r n ASN 22 Ca -0.01 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 2d8r n ASN 22 Cb 0.02 -4.49 0.00 0.00 1.24 0.00 0.00 39.78 36.55 2d8r n ASN 22 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2d8r n LYS 23 N -4.13 0.00 0.00 1.20 5.02 -1.26 -4.79 118.16 114.19 2d8r n LYS 23 Ca -0.06 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2d8r n LYS 23 Cb 0.65 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 2d8r n LYS 23 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2d8r n HIS 24 N -0.40 0.00 -1.54 2.13 8.25 -1.26 -5.13 115.22 117.26 2d8r n HIS 24 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 2d8r n HIS 24 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 2d8r n HIS 24 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2d8r n ILE 25 N -1.06 -2.38 -1.23 1.59 5.41 -1.26 -4.95 119.36 115.48 2d8r n ILE 25 Ca 0.00 1.29 0.00 0.00 1.00 0.00 0.00 62.75 65.04 2d8r n ILE 25 Cb 0.00 -2.12 0.00 0.00 -0.71 0.00 0.00 39.64 36.81 2d8r n ILE 25 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2d8r n ASN 26 N -2.98 0.00 -4.13 4.38 3.02 -1.26 -5.12 115.26 109.16 2d8r n ASN 26 Ca -0.02 -1.00 -0.38 0.00 -0.03 0.00 0.00 54.58 53.15 2d8r n ASN 26 Cb 0.51 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.70 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2d8r n ILE 27 N 0.00 0.00 -3.99 2.41 5.41 -1.26 -4.93 119.36 117.00 2d8r n ILE 27 Ca 0.00 -0.49 -0.36 0.00 1.00 0.00 0.00 62.75 62.90 2d8r n ILE 27 Cb 0.49 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.34 2d8r n ILE 27 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2d8r s SER 28 N -0.99 5.99 -0.50 4.38 1.04 -1.26 -5.01 113.70 117.35 2d8r s SER 28 Ca 0.52 0.31 -0.25 0.00 0.48 0.00 0.00 55.95 57.00 2d8r s SER 28 Cb -0.41 -1.92 0.03 0.00 0.10 0.00 0.00 66.02 63.82 2d8r s SER 28 CO 0.70 0.34 0.96 -0.36 0.98 0.00 0.00 173.24 175.85 2d8r s PHE 29 N -0.60 2.85 -0.37 5.02 0.40 -1.26 -4.30 117.98 119.72 2d8r s PHE 29 Ca 0.12 0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 56.63 2d8r s PHE 29 Cb -0.12 -4.06 0.06 0.00 0.51 0.00 0.00 43.02 39.42 2d8r s PHE 29 CO 0.02 -1.24 0.15 -1.01 0.70 0.00 0.00 175.22 173.84 2d8r s HIS 30 N 3.93 3.34 1.22 0.36 3.76 -1.20 -4.95 115.29 121.76 2d8r s HIS 30 Ca 0.35 -1.71 -0.14 0.00 -0.15 0.00 0.00 55.06 53.41 2d8r s HIS 30 Cb -0.11 -2.61 0.31 0.00 1.11 0.00 0.00 32.58 31.28 2d8r s HIS 30 CO 0.24 -0.82 1.01 -0.98 -0.85 0.00 0.00 174.74 173.33 2d8r s ARG 31 N 1.34 -1.39 0.76 1.40 1.70 -1.26 -2.55 118.95 118.95 2d8r s ARG 31 Ca 0.01 0.70 -0.13 0.00 -0.47 0.00 0.00 55.73 55.84 2d8r s ARG 31 Cb -0.21 -1.51 0.06 0.00 -0.57 0.00 0.00 34.95 32.71 2d8r s ARG 31 CO 0.01 -4.00 1.16 -0.06 -1.08 0.00 0.00 175.30 171.33 2d8r s PHE 32 N -2.41 2.14 0.35 5.89 0.40 -1.20 -4.85 117.98 118.29 2d8r s PHE 32 Ca 0.69 1.63 -0.27 0.00 -0.60 0.00 0.00 56.93 58.37 2d8r s PHE 32 Cb -0.24 -3.34 -0.09 0.00 0.51 0.00 0.00 43.02 39.86 2d8r s PHE 32 CO 0.64 -2.37 1.21 -1.25 0.70 0.00 0.00 175.22 174.15 2d8r s PRO 33 N -4.22 4.29 0.40 0.24 0.04 -1.26 -4.93 135.00 129.55 2d8r s PRO 33 Ca 0.70 1.99 0.27 0.00 0.04 0.00 0.00 61.00 63.99 2d8r s PRO 33 Cb -0.25 -2.93 0.84 0.00 0.04 0.00 0.00 34.50 32.19 2d8r s PRO 33 CO 0.48 -0.17 1.77 -0.07 0.04 0.00 0.00 177.00 179.06 2d8r h LEU 34 N 3.16 0.00-10.05 -3.56 4.07 -1.93 -3.36 115.31 103.63 2d8r h LEU 34 Ca -0.48 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.02 2d8r h LEU 34 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 2d8r h LEU 34 CO 0.64 0.00 0.36 -0.62 -1.08 0.00 0.00 178.44 177.75 2d8r s ASP 35 N -5.40 6.69 0.03 -0.43 2.15 -1.26 -4.92 116.67 113.52 2d8r s ASP 35 Ca 0.06 1.82 -0.21 0.00 0.43 0.00 0.00 52.55 54.64 2d8r s ASP 35 Cb 0.08 -2.55 -0.15 0.00 -0.30 0.00 0.00 42.92 40.00 2d8r s ASP 35 CO 0.57 -0.54 1.33 1.55 -0.17 0.00 0.00 175.17 177.92 2d8r h PRO 36 N 1.84 0.31 -0.52 4.34 0.13 -1.97 0.28 132.00 136.41 2d8r h PRO 36 Ca -0.49 -0.16 0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2d8r h PRO 36 Cb 1.20 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2d8r h PRO 36 CO 0.60 0.71 -0.15 0.87 -0.23 0.00 0.00 178.00 179.80 2d8r h LYS 37 N -0.08 -0.03 0.01 0.86 1.57 -1.97 -1.02 116.57 115.91 2d8r h LYS 37 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2d8r h LYS 37 Cb 0.65 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2d8r h LYS 37 CO 0.03 -0.02 -0.00 0.00 -0.57 0.00 0.00 179.45 178.89 2d8r h ARG 38 N -0.03 -0.01 -0.91 3.15 2.47 -1.92 -3.09 114.38 114.04 2d8r h ARG 38 Ca 0.25 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 59.16 2d8r h ARG 38 Cb 0.40 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.55 2d8r h ARG 38 CO -0.55 0.77 -0.20 -2.13 0.56 0.00 0.00 179.97 178.43 2d8r n ARG 39 N -4.67 -0.08 -0.08 0.04 0.00 0.99 0.16 116.66 113.03 2d8r n ARG 39 Ca -0.08 1.41 -0.09 0.00 -0.00 0.00 0.00 57.85 59.10 2d8r n ARG 39 Cb 0.38 -2.13 0.07 0.00 0.00 0.00 0.00 32.46 30.78 2d8r n ARG 39 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2d8r h LYS 40 N 0.00 0.78 0.73 -0.14 1.57 -1.31 -3.09 116.57 115.11 2d8r h LYS 40 Ca 0.45 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2d8r h LYS 40 Cb 0.72 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.02 2d8r h LYS 40 CO -0.93 0.96 -0.35 0.93 -0.57 0.00 0.00 179.45 179.50 2d8r h GLU 41 N 0.67 -0.94 -0.96 3.15 3.07 0.17 -0.65 114.58 119.08 2d8r h GLU 41 Ca 0.08 0.06 0.23 0.00 -0.50 0.00 0.00 59.36 59.24 2d8r h GLU 41 Cb 0.80 0.21 -0.18 0.00 -0.84 0.00 0.00 28.75 28.75 2d8r h GLU 41 CO 0.07 -0.63 -0.08 -1.49 -1.40 0.00 0.00 179.01 175.48 2d8r h TRP 42 N -1.12 -0.23 -0.16 4.33 4.06 -0.55 1.42 115.95 123.71 2d8r h TRP 42 Ca -0.10 0.08 -0.11 0.00 2.06 0.00 0.00 58.89 60.82 2d8r h TRP 42 Cb 0.75 0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 2d8r h TRP 42 CO 0.03 -0.41 -0.37 0.28 -3.56 0.00 0.00 178.44 174.41 2d8r h VAL 43 N 0.01 1.29 0.00 1.49 2.07 -1.49 0.14 116.25 119.77 2d8r h VAL 43 Ca 0.53 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2d8r h VAL 43 Cb 0.99 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2d8r h VAL 43 CO -0.93 0.44 -0.17 -0.09 0.02 0.00 0.00 177.57 176.84 2d8r h ARG 44 N 0.28 0.00 0.04 1.57 2.43 0.31 -3.07 114.38 115.95 2d8r h ARG 44 Ca 0.03 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.98 2d8r h ARG 44 Cb 0.78 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 2d8r h ARG 44 CO 0.06 0.17 -1.18 -0.07 -1.51 0.00 0.00 179.97 177.43 2d8r h LEU 45 N 0.00 0.14 -2.25 3.80 3.38 0.87 -3.34 115.31 117.91 2d8r h LEU 45 Ca -0.00 -0.71 0.04 0.00 0.09 0.00 0.00 57.88 57.30 2d8r h LEU 45 Cb 0.98 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2d8r h LEU 45 CO 0.02 1.49 0.14 1.62 0.09 0.00 0.00 178.44 181.79 2d8r h VAL 46 N -0.72 0.56 -5.09 1.22 3.04 -1.06 -3.47 116.25 110.73 2d8r h VAL 46 Ca -0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2d8r h VAL 46 Cb 1.45 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 2d8r h VAL 46 CO -0.08 0.00 -0.16 0.54 -1.01 0.00 0.00 177.57 176.85 2d8r n ARG 47 N -3.94 -1.53 -3.34 4.17 3.00 -1.16 -3.78 116.66 110.09 2d8r n ARG 47 Ca 0.00 1.60 -0.24 0.00 -0.01 0.00 0.00 57.85 59.20 2d8r n ARG 47 Cb 0.25 -5.29 -0.09 0.00 0.00 0.00 0.00 32.46 27.33 2d8r n ARG 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2d8r s ARG 48 N -2.80 0.81 0.18 5.56 0.52 -1.25 -4.76 118.95 117.22 2d8r s ARG 48 Ca 0.08 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.59 2d8r s ARG 48 Cb -0.02 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.27 2d8r s ARG 48 CO 0.68 -1.32 0.00 1.63 0.02 0.00 0.00 175.30 176.30 2d8r n LYS 49 N 3.26 0.00 -0.74 3.54 5.02 -1.26 -2.51 118.16 125.47 2d8r n LYS 49 Ca 0.23 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2d8r n LYS 49 Cb 0.46 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.74 2d8r n LYS 49 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2d8r n ASN 50 N -3.95 4.36 -4.45 4.39 2.85 -1.26 -4.97 115.26 112.22 2d8r n ASN 50 Ca 0.00 -2.83 -0.32 0.00 -0.11 0.00 0.00 54.58 51.32 2d8r n ASN 50 Cb 0.00 -0.67 0.17 0.00 1.24 0.00 0.00 39.78 40.52 2d8r n ASN 50 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2d8r n PHE 51 N 0.18 -0.88 -3.83 1.20 1.16 -1.04 -5.04 117.46 109.20 2d8r n PHE 51 Ca 0.27 0.19 -0.12 0.00 -1.87 0.00 0.00 57.45 55.92 2d8r n PHE 51 Cb 1.07 -1.77 -0.11 0.00 -1.61 0.00 0.00 39.48 37.06 2d8r n PHE 51 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2d8r s VAL 52 N -2.42 0.04 0.73 1.97 1.01 -1.26 -4.97 120.40 115.50 2d8r s VAL 52 Ca 0.61 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 2d8r s VAL 52 Cb -0.20 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 35.85 2d8r s VAL 52 CO 0.65 -0.19 1.10 -2.16 0.00 0.00 0.00 175.10 174.49 2d8r s PRO 53 N -0.67 2.45 0.00 2.72 0.04 -1.26 -4.86 135.00 133.42 2d8r s PRO 53 Ca -0.08 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2d8r s PRO 53 Cb -0.04 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2d8r s PRO 53 CO 0.01 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2d8r n GLY 54 N -0.97 0.00 0.00 0.56 0.00 -1.26 -5.10 105.19 98.43 2d8r n GLY 54 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2d8r n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d8r n LYS 55 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.01 118.16 118.51 2d8r n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2d8r n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2d8r n LYS 55 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2d8r n HIS 56 N 0.00 0.00 -1.48 2.13 8.25 -1.26 -5.06 115.22 117.81 2d8r n HIS 56 Ca 0.00 0.00 -0.61 0.00 -0.26 0.00 0.00 57.72 56.85 2d8r n HIS 56 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2d8r n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2d8r n THR 57 N -0.38 0.00 -4.19 1.59 -1.04 -1.26 -4.92 114.28 104.08 2d8r n THR 57 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2d8r n THR 57 Cb 0.04 -0.47 -0.10 0.00 -1.82 0.00 0.00 70.33 67.97 2d8r n THR 57 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2d8r s PHE 58 N 3.85 1.01 -0.01 -1.42 -0.12 -1.26 -3.26 117.98 116.78 2d8r s PHE 58 Ca 1.04 -1.09 0.01 0.00 -0.05 0.00 0.00 56.93 56.84 2d8r s PHE 58 Cb -1.41 -0.58 -0.00 0.00 -0.63 0.00 0.00 43.02 40.39 2d8r s PHE 58 CO 0.72 -0.32 -0.04 -0.51 -0.05 0.00 0.00 175.22 175.01 2d8r s LEU 59 N -3.10 1.96 0.00 -1.99 1.43 -1.06 -2.36 118.68 113.56 2d8r s LEU 59 Ca 0.22 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 2d8r s LEU 59 Cb 0.07 -0.22 0.18 0.00 0.03 0.00 0.00 46.19 46.24 2d8r s LEU 59 CO 0.01 0.04 0.44 0.00 0.23 0.00 0.00 176.35 177.08 2d8r n SER 61 N -4.26 0.28 0.32 0.00 3.41 -1.26 -4.27 113.62 107.85 2d8r n SER 61 Ca 0.07 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.88 2d8r n SER 61 Cb 0.29 1.94 1.10 0.00 -0.26 0.00 0.00 64.21 67.27 2d8r n SER 61 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2d8r h LYS 62 N 0.00 0.00 0.06 4.33 1.57 -1.95 -1.24 116.57 119.34 2d8r h LYS 62 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 2d8r h LYS 62 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.27 2d8r h LYS 62 CO 0.00 0.00 -1.09 0.45 -0.57 0.00 0.00 179.45 178.25 2d8r h HIS 63 N 0.00 0.62 -2.92 -1.35 3.86 -1.83 -3.44 115.15 110.08 2d8r h HIS 63 Ca -0.00 -0.38 -0.64 0.00 -1.16 0.00 0.00 60.37 58.19 2d8r h HIS 63 Cb 0.02 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.35 2d8r h HIS 63 CO 0.00 1.24 -0.43 -0.06 0.86 0.00 0.00 177.93 179.53 2d8r s PHE 64 N -3.02 3.55 0.00 2.45 0.40 -0.47 -3.67 117.98 117.22 2d8r s PHE 64 Ca -0.06 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 2d8r s PHE 64 Cb 0.08 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.52 2d8r s PHE 64 CO 0.88 0.55 0.00 0.39 0.70 0.00 0.00 175.22 177.75 2d8r n GLU 65 N 2.55 0.00 0.00 0.44 1.02 -1.26 -4.90 120.64 118.49 2d8r n GLU 65 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2d8r n GLU 65 Cb 0.54 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 2d8r n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d8r n ALA 66 N -3.00 0.99 0.13 0.62 0.00 -1.26 -4.86 120.51 113.13 2d8r n ALA 66 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2d8r n ALA 66 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2d8r n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d8r n SER 67 N -1.58 0.00 -0.10 0.00 7.64 -1.26 -0.51 113.62 117.80 2d8r n SER 67 Ca 0.00 0.40 0.13 0.00 1.01 0.00 0.00 58.87 60.41 2d8r n SER 67 Cb 0.00 -0.42 0.38 0.00 -1.01 0.00 0.00 64.21 63.16 2d8r n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8r n PHE 69 N -1.12 -0.76 -3.89 0.00 3.72 0.33 0.01 117.46 115.74 2d8r n PHE 69 Ca 0.09 -1.44 -0.32 0.00 -0.05 0.00 0.00 57.45 55.73 2d8r n PHE 69 Cb 0.33 -0.27 -0.13 0.00 -0.94 0.00 0.00 39.48 38.47 2d8r n PHE 69 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2d8r s ASP 70 N -2.95 4.72 -0.20 4.37 2.15 0.56 -4.59 116.67 120.74 2d8r s ASP 70 Ca 0.17 -2.69 0.13 0.00 0.43 0.00 0.00 52.55 50.59 2d8r s ASP 70 Cb -0.01 -1.71 -0.23 0.00 -0.30 0.00 0.00 42.92 40.67 2d8r s ASP 70 CO 0.11 -0.33 0.05 0.18 -0.17 0.00 0.00 175.17 175.01 2d8r n LEU 71 N 3.60 0.93 0.00 -1.34 4.32 -1.24 -2.94 117.00 120.32 2d8r n LEU 71 Ca 0.05 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.15 2d8r n LEU 71 Cb 0.37 0.06 0.63 0.00 -1.62 0.00 0.00 43.42 42.85 2d8r n LEU 71 CO 0.31 0.62 0.83 1.07 -1.22 0.00 0.00 177.39 179.00 2d8r n THR 72 N -2.93 0.01 -2.21 -5.08 5.66 -1.26 -2.98 114.28 105.49 2d8r n THR 72 Ca -0.35 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.53 2d8r n THR 72 Cb 1.10 -0.67 0.05 0.00 -1.55 0.00 0.00 70.33 69.27 2d8r n THR 72 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2d8r n GLY 73 N 0.35 4.70 0.10 1.09 0.00 -1.26 -5.08 105.19 105.09 2d8r n GLY 73 Ca 0.16 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2d8r n GLY 73 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2d8r n GLN 74 N -0.66 -0.29 0.00 1.61 -0.06 -1.16 -4.98 117.38 111.83 2d8r n GLN 74 Ca 0.29 0.22 0.00 0.00 -2.00 0.00 0.00 57.00 55.50 2d8r n GLN 74 Cb 0.90 -0.24 0.00 0.00 -4.06 0.00 0.00 30.24 26.84 2d8r n GLN 74 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2d8r n THR 75 N -0.97 0.00 -4.02 1.69 5.66 -1.26 -4.60 114.28 110.78 2d8r n THR 75 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 2d8r n THR 75 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 2d8r n THR 75 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2d8r s ARG 76 N 0.00 2.04 -0.11 1.09 3.52 -1.24 -3.68 118.95 120.57 2d8r s ARG 76 Ca 0.00 -1.15 0.03 0.00 -0.13 0.00 0.00 55.73 54.48 2d8r s ARG 76 Cb 0.00 -2.72 0.01 0.00 -1.56 0.00 0.00 34.95 30.67 2d8r s ARG 76 CO 0.00 -0.55 -0.21 1.03 -0.81 0.00 0.00 175.30 174.76 2d8r s ARG 77 N 1.24 2.79 -0.18 5.12 0.52 -1.15 -4.78 118.95 122.50 2d8r s ARG 77 Ca -0.07 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 2d8r s ARG 77 Cb -0.19 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 2d8r s ARG 77 CO -0.06 0.08 1.99 -1.17 0.02 0.00 0.00 175.30 176.16 2d8r s LEU 78 N 0.58 3.74 -0.06 2.53 1.98 -1.26 0.21 118.68 126.40 2d8r s LEU 78 Ca -0.14 1.91 -0.34 0.00 -2.89 0.00 0.00 54.13 52.67 2d8r s LEU 78 Cb -0.17 -3.52 -0.12 0.00 0.66 0.00 0.00 46.19 43.04 2d8r s LEU 78 CO 0.04 -1.60 1.86 0.29 -1.89 0.00 0.00 176.35 175.05 2d8r n LYS 79 N 8.24 2.19 0.30 1.98 5.02 0.10 -4.78 118.16 131.21 2d8r n LYS 79 Ca 0.25 0.80 0.10 0.00 -2.02 0.00 0.00 58.31 57.44 2d8r n LYS 79 Cb 0.44 -2.64 0.55 0.00 -0.02 0.00 0.00 35.03 33.36 2d8r n LYS 79 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2d8r h MET 80 N 8.94 0.00 -0.82 1.97 2.86 -1.90 0.52 114.93 126.51 2d8r h MET 80 Ca -0.48 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.64 2d8r h MET 80 Cb 1.27 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.64 2d8r h MET 80 CO 0.94 0.00 0.30 -3.47 1.06 0.00 0.00 176.91 175.75 2d8r n ASP 81 N -2.61 5.31 -4.28 1.22 -0.08 -1.26 -4.67 116.55 110.18 2d8r n ASP 81 Ca -0.01 -3.75 -0.29 0.00 -1.51 0.00 0.00 54.79 49.23 2d8r n ASP 81 Cb 0.49 -0.76 -0.15 0.00 2.34 0.00 0.00 41.12 43.04 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d8r s ALA 82 N -3.56 1.96 0.13 -1.67 0.00 0.18 -5.09 121.76 113.71 2d8r s ALA 82 Ca 0.57 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.55 2d8r s ALA 82 Cb 0.46 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2d8r s ALA 82 CO 0.02 0.47 -0.20 0.14 0.00 0.00 0.00 175.76 176.19 2d8r s VAL 83 N -0.64 1.77 -0.92 0.00 -7.23 -1.26 -4.92 120.40 107.20 2d8r s VAL 83 Ca 0.09 -1.69 -0.24 0.00 -1.81 0.00 0.00 61.98 58.33 2d8r s VAL 83 Cb -0.09 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 2d8r s VAL 83 CO 0.00 -0.15 1.95 -2.16 -0.31 0.00 0.00 175.10 174.43 2d8r s PRO 84 N -2.24 2.55 0.00 4.82 0.04 -1.26 -4.76 135.00 134.14 2d8r s PRO 84 Ca 0.10 -0.35 0.22 0.00 0.04 0.00 0.00 61.00 61.01 2d8r s PRO 84 Cb -0.08 -5.07 1.31 0.00 0.04 0.00 0.00 34.50 30.69 2d8r s PRO 84 CO 0.05 -3.43 1.83 0.25 0.04 0.00 0.00 177.00 175.74 2d8r n THR 85 N 7.88 0.00 -3.92 1.26 -2.24 -1.26 -4.66 114.28 111.34 2d8r n THR 85 Ca 0.41 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.95 2d8r n THR 85 Cb 0.47 -0.36 -0.17 0.00 -2.10 0.00 0.00 70.33 68.17 2d8r n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2d8r s ILE 86 N -2.00 0.57 0.29 2.28 1.09 -1.24 -5.00 121.20 117.19 2d8r s ILE 86 Ca 0.33 -0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.84 2d8r s ILE 86 Cb 0.15 -0.66 0.00 0.00 -1.06 0.00 0.00 42.46 40.89 2d8r s ILE 86 CO 0.25 0.28 0.00 0.49 -0.10 0.00 0.00 174.94 175.86 2d8r n PHE 87 N 4.80 -2.61 -0.84 3.97 3.72 -1.26 -4.67 117.46 120.57 2d8r n PHE 87 Ca -0.13 0.54 -0.34 0.00 -0.05 0.00 0.00 57.45 57.47 2d8r n PHE 87 Cb 0.50 0.95 0.10 0.00 -0.94 0.00 0.00 39.48 40.10 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2d8r n ASP 88 N -3.38 -3.05 0.01 4.37 5.75 -1.26 -4.98 116.55 114.00 2d8r n ASP 88 Ca 0.00 0.27 -0.00 0.00 -0.01 0.00 0.00 54.79 55.04 2d8r n ASP 88 Cb 0.00 -1.08 -0.00 0.00 -1.03 0.00 0.00 41.12 39.01 2d8r n ASP 88 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2d8r n PHE 89 N -3.38 0.00 -1.75 2.11 3.72 -1.26 -5.13 117.46 111.77 2d8r n PHE 89 Ca 0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.43 2d8r n PHE 89 Cb 0.55 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.07 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d8r n THR 91 N 0.71 0.15 -1.44 0.00 -1.04 -1.26 -4.51 114.28 106.88 2d8r n THR 91 Ca -0.09 -0.18 0.18 0.00 -2.04 0.00 0.00 64.05 61.92 2d8r n THR 91 Cb 0.14 -1.33 -0.08 0.00 -1.82 0.00 0.00 70.33 67.25 2d8r n THR 91 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2d8r n HIS 92 N 8.99 -3.80 -1.88 -1.42 -0.00 -1.26 -4.77 115.22 111.08 2d8r n HIS 92 Ca 0.44 2.03 -0.40 0.00 0.46 0.00 0.00 57.72 60.25 2d8r n HIS 92 Cb 0.15 -3.46 0.00 0.00 -0.12 0.00 0.00 29.99 26.57 2d8r n HIS 92 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 2d8r s ILE 93 N -3.63 2.22 0.10 3.57 1.10 -1.26 -5.03 121.20 118.27 2d8r s ILE 93 Ca 0.00 0.21 0.01 0.00 -0.51 0.00 0.00 60.65 60.36 2d8r s ILE 93 Cb 0.00 -3.13 0.01 0.00 0.15 0.00 0.00 42.46 39.49 2d8r s ILE 93 CO 0.00 0.04 0.04 -0.24 -2.11 0.00 0.00 174.94 172.67 2d8r n SER 94 N 0.19 1.70 0.00 4.50 2.88 -1.26 -5.14 113.62 116.49 2d8r n SER 94 Ca 0.03 -1.36 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 2d8r n SER 94 Cb 0.41 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2d8r n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8r n GLY 95 N 3.85 1.01 3.77 0.46 0.00 -1.26 -5.12 105.19 107.89 2d8r n GLY 95 Ca -0.02 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 2d8r n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8r s PRO 96 N -1.07 2.27 -0.09 1.61 0.04 -1.26 -4.72 135.00 131.77 2d8r s PRO 96 Ca 0.00 1.18 -0.06 0.00 0.04 0.00 0.00 61.00 62.15 2d8r s PRO 96 Cb 0.00 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2d8r s PRO 96 CO 0.00 -1.64 0.13 0.45 0.04 0.00 0.00 177.00 175.98 2d8r n SER 97 N -3.49 -1.43 0.00 6.66 2.88 -1.26 -5.04 113.62 111.94 2d8r n SER 97 Ca 0.09 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2d8r n SER 97 Cb 0.53 -3.33 0.00 0.00 -0.75 0.00 0.00 64.21 60.66 2d8r n SER 97 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8r n SER 98 N 0.94 2.91 0.00 -3.46 7.64 -1.26 -5.19 113.62 115.20 2d8r n SER 98 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2d8r n SER 98 Cb 0.34 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64