#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8r h SER 2 N 0.00 0.00 0.53 1.61 0.87 -2.08 -2.20 113.55 112.28 2d8r h SER 2 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2d8r h SER 2 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2d8r h SER 2 CO 0.00 0.00 -0.43 -1.28 -0.53 0.00 0.00 176.83 174.59 2d8r h SER 3 N 0.00 -1.14 -2.17 6.23 0.87 -2.12 -3.41 113.55 111.81 2d8r h SER 3 Ca 0.21 0.08 -0.34 0.00 -1.23 0.00 0.00 61.79 60.52 2d8r h SER 3 Cb 1.01 0.36 -0.33 0.00 -0.44 0.00 0.00 62.40 63.00 2d8r h SER 3 CO -0.00 -0.61 -0.64 -0.83 -0.53 0.00 0.00 176.83 174.21 2d8r s GLY 4 N -2.16 -0.11 0.66 5.77 0.00 -0.83 -5.15 107.32 105.50 2d8r s GLY 4 Ca -0.18 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.05 2d8r s GLY 4 CO 0.62 2.63 1.06 -0.56 0.00 0.00 0.00 173.10 176.85 2d8r s SER 5 N 2.34 5.45 -0.43 1.64 0.01 -1.20 -4.89 113.70 116.62 2d8r s SER 5 Ca 0.09 1.75 0.04 0.00 1.31 0.00 0.00 55.95 59.14 2d8r s SER 5 Cb -0.14 -2.52 0.19 0.00 0.21 0.00 0.00 66.02 63.76 2d8r s SER 5 CO -0.33 -1.39 0.77 -0.55 0.41 0.00 0.00 173.24 172.15 2d8r s SER 6 N -3.24 -1.22 0.00 2.44 0.15 -1.26 -4.99 113.70 105.58 2d8r s SER 6 Ca 0.61 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2d8r s SER 6 Cb -0.16 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.73 2d8r s SER 6 CO 0.46 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2d8r n GLY 7 N 3.59 0.16 3.87 9.45 0.00 -1.26 -5.15 105.19 115.85 2d8r n GLY 7 Ca 0.13 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2d8r n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d8r s MET 8 N 0.00 3.82 1.06 1.61 -1.94 -1.26 -5.09 119.30 117.50 2d8r s MET 8 Ca 0.00 0.29 -0.18 0.00 -1.71 0.00 0.00 55.69 54.09 2d8r s MET 8 Cb 0.00 -2.72 0.26 0.00 2.01 0.00 0.00 34.83 34.38 2d8r s MET 8 CO 0.00 0.36 0.94 -0.35 -0.01 0.00 0.00 175.02 175.96 2d8r n PRO 9 N 0.08 -2.85 -3.53 2.03 -0.04 -1.26 -5.08 135.00 124.36 2d8r n PRO 9 Ca -0.01 -1.50 -0.20 0.00 -0.04 0.00 0.00 63.50 61.75 2d8r n PRO 9 Cb 0.52 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 2d8r n PRO 9 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2d8r s THR 10 N -2.70 3.08 0.56 0.52 2.01 -1.26 -5.04 115.64 112.81 2d8r s THR 10 Ca 0.61 -1.26 0.07 0.00 0.31 0.00 0.00 61.69 61.42 2d8r s THR 10 Cb -0.06 -3.08 0.07 0.00 0.01 0.00 0.00 72.50 69.44 2d8r s THR 10 CO 0.47 -0.06 0.62 -0.46 -0.69 0.00 0.00 174.62 174.50 2d8r n ASN 11 N -1.56 2.40 -4.78 3.53 6.94 -1.26 -4.39 115.26 116.14 2d8r n ASN 11 Ca 0.03 -2.70 -0.36 0.00 -0.02 0.00 0.00 54.58 51.53 2d8r n ASN 11 Cb 0.60 -0.25 -0.07 0.00 -2.36 0.00 0.00 39.78 37.70 2d8r n ASN 11 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2d8r h ALA 13 N 5.93 1.00 -1.71 0.00 0.00 -1.15 -3.46 119.26 119.88 2d8r h ALA 13 Ca -0.47 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 2d8r h ALA 13 Cb 1.19 0.00 0.18 0.00 0.00 0.00 0.00 17.79 19.16 2d8r h ALA 13 CO 0.68 0.00 -0.41 0.00 0.00 0.00 0.00 179.25 179.52 2d8r n ALA 14 N -2.02 -2.91 -1.23 0.00 0.00 -1.26 -4.99 120.51 108.10 2d8r n ALA 14 Ca 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2d8r n ALA 14 Cb 0.37 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2d8r n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8r n ALA 15 N -4.86 0.00 -2.79 0.00 0.00 -1.26 -4.74 120.51 106.85 2d8r n ALA 15 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 2d8r n ALA 15 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 2d8r n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2d8r s GLY 16 N -0.08 1.81 0.03 0.00 0.00 -1.26 -4.95 107.32 102.88 2d8r s GLY 16 Ca 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 44.72 41.92 2d8r s GLY 16 CO 0.00 2.28 0.05 0.00 0.00 0.00 0.00 173.10 175.43 2d8r n ALA 18 N 0.89 4.76 -3.73 0.00 0.00 -1.26 -5.01 120.51 116.16 2d8r n ALA 18 Ca -0.20 -4.04 -0.34 0.00 0.00 0.00 0.00 53.44 48.86 2d8r n ALA 18 Cb 0.58 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 -5.02 2.85 0.07 0.00 2.01 -1.26 -4.83 115.64 109.46 2d8r s THR 19 Ca 0.45 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.37 2d8r s THR 19 Cb 0.41 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 70.45 2d8r s THR 19 CO -0.12 0.17 0.00 0.41 -0.69 0.00 0.00 174.62 174.38 2d8r n THR 20 N 4.66 0.00 -3.53 -0.82 -1.04 -1.26 -2.86 114.28 109.43 2d8r n THR 20 Ca -0.16 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.56 2d8r n THR 20 Cb 0.47 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.83 2d8r n THR 20 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2d8r s TYR 21 N -2.00 0.48 -0.34 -1.42 5.04 -1.26 -4.39 117.35 113.46 2d8r s TYR 21 Ca 0.00 -1.12 0.10 0.00 -2.44 0.00 0.00 57.07 53.61 2d8r s TYR 21 Cb 0.00 -0.93 0.45 0.00 0.35 0.00 0.00 41.96 41.83 2d8r s TYR 21 CO 0.00 -0.83 1.13 0.09 -1.34 0.00 0.00 175.55 174.59 2d8r n ASN 22 N 4.90 4.00 -3.28 4.32 4.13 -1.26 -5.00 115.26 123.06 2d8r n ASN 22 Ca -0.01 -3.38 -0.26 0.00 1.68 0.00 0.00 54.58 52.60 2d8r n ASN 22 Cb 0.41 -0.42 0.03 0.00 -1.54 0.00 0.00 39.78 38.25 2d8r n ASN 22 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2d8r n LYS 23 N -0.55 -2.06 -3.31 3.52 5.02 -1.26 -3.66 118.16 115.87 2d8r n LYS 23 Ca 0.33 1.65 -0.16 0.00 -2.02 0.00 0.00 58.31 58.11 2d8r n LYS 23 Cb 0.83 -3.45 0.05 0.00 -0.02 0.00 0.00 35.03 32.43 2d8r n LYS 23 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2d8r n HIS 24 N -0.39 -2.45 -1.76 2.13 -0.00 -1.26 -4.90 115.22 106.58 2d8r n HIS 24 Ca -0.02 0.83 -0.41 0.00 -0.00 0.00 0.00 57.72 58.12 2d8r n HIS 24 Cb 0.60 -3.97 -0.00 0.00 -0.00 0.00 0.00 29.99 26.62 2d8r n HIS 24 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 2d8r n ILE 25 N -3.15 1.88 0.05 3.57 3.06 -1.24 -4.91 119.36 118.62 2d8r n ILE 25 Ca -0.07 -0.47 -0.10 0.00 -2.50 0.00 0.00 62.75 59.62 2d8r n ILE 25 Cb 0.60 -1.94 0.03 0.00 0.54 0.00 0.00 39.64 38.87 2d8r n ILE 25 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2d8r h ASN 26 N 3.14 0.47 -2.44 9.51 7.08 -1.90 -3.46 115.58 127.98 2d8r h ASN 26 Ca -0.50 -0.31 -0.59 0.00 -3.08 0.00 0.00 56.30 51.82 2d8r h ASN 26 Cb 1.24 -0.14 0.17 0.00 -2.08 0.00 0.00 38.32 37.52 2d8r h ASN 26 CO 0.66 1.04 -0.73 -0.38 -2.08 0.00 0.00 177.43 175.93 2d8r n ILE 27 N -3.84 1.20 -2.94 6.14 5.41 -1.26 -4.98 119.36 119.08 2d8r n ILE 27 Ca -0.04 -0.50 -0.20 0.00 1.00 0.00 0.00 62.75 63.01 2d8r n ILE 27 Cb 0.70 -0.35 0.06 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 -1.07 5.09 -0.27 4.38 1.04 -1.26 -5.02 113.70 116.60 2d8r s SER 28 Ca 0.63 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2d8r s SER 28 Cb -0.49 0.02 0.07 0.00 0.10 0.00 0.00 66.02 65.72 2d8r s SER 28 CO 0.60 -1.31 -0.01 0.72 0.98 0.00 0.00 173.24 174.21 2d8r s PHE 29 N -2.69 2.59 -0.57 5.02 -0.71 -1.26 -4.06 117.98 116.30 2d8r s PHE 29 Ca 0.61 -2.01 -0.10 0.00 -1.04 0.00 0.00 56.93 54.39 2d8r s PHE 29 Cb -0.07 -1.86 0.14 0.00 -1.21 0.00 0.00 43.02 40.02 2d8r s PHE 29 CO 0.39 -0.83 0.45 -1.01 -1.34 0.00 0.00 175.22 172.88 2d8r s HIS 30 N 1.32 3.46 1.17 3.49 3.76 -1.21 -4.95 115.29 122.33 2d8r s HIS 30 Ca -0.01 -1.96 -0.17 0.00 -0.15 0.00 0.00 55.06 52.77 2d8r s HIS 30 Cb -0.19 -3.55 0.22 0.00 1.11 0.00 0.00 32.58 30.18 2d8r s HIS 30 CO -0.09 -0.97 0.44 2.89 -0.85 0.00 0.00 174.74 176.15 2d8r n ARG 31 N 4.57 -2.78 -2.08 1.40 1.85 -1.26 -3.31 116.66 115.05 2d8r n ARG 31 Ca -0.02 -0.81 -0.33 0.00 -1.00 0.00 0.00 57.85 55.69 2d8r n ARG 31 Cb 0.41 -1.70 0.01 0.00 -1.05 0.00 0.00 32.46 30.12 2d8r n ARG 31 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2d8r s PHE 32 N -2.15 3.05 0.32 2.89 0.40 -1.22 -4.86 117.98 116.40 2d8r s PHE 32 Ca 0.52 1.50 -0.29 0.00 -0.60 0.00 0.00 56.93 58.07 2d8r s PHE 32 Cb -0.11 -2.98 -0.10 0.00 0.51 0.00 0.00 43.02 40.34 2d8r s PHE 32 CO 0.51 -1.03 1.22 -1.25 0.70 0.00 0.00 175.22 175.37 2d8r s PRO 33 N -4.09 4.41 0.00 0.24 0.04 -1.26 -4.92 135.00 129.42 2d8r s PRO 33 Ca 0.63 2.04 0.24 0.00 0.04 0.00 0.00 61.00 63.94 2d8r s PRO 33 Cb -0.15 -3.06 1.03 0.00 0.04 0.00 0.00 34.50 32.36 2d8r s PRO 33 CO 0.37 -0.07 1.77 1.28 0.04 0.00 0.00 177.00 180.39 2d8r n LEU 34 N 0.84 0.00 -4.84 -3.56 7.99 -1.26 -4.14 117.00 112.03 2d8r n LEU 34 Ca 0.00 0.49 -0.34 0.00 -0.01 0.00 0.00 56.01 56.16 2d8r n LEU 34 Cb 0.43 -0.49 -0.06 0.00 -0.11 0.00 0.00 43.42 43.19 2d8r n LEU 34 CO 0.56 -0.09 0.42 -0.62 -1.51 0.00 0.00 177.39 176.16 2d8r s ASP 35 N -2.99 6.88 0.17 -1.43 2.15 -1.26 -4.95 116.67 115.24 2d8r s ASP 35 Ca 0.12 1.33 -0.08 0.00 0.43 0.00 0.00 52.55 54.35 2d8r s ASP 35 Cb 0.16 -2.39 0.05 0.00 -0.30 0.00 0.00 42.92 40.43 2d8r s ASP 35 CO 0.44 -0.11 1.51 1.55 -0.17 0.00 0.00 175.17 178.39 2d8r h PRO 36 N 2.70 0.81 -0.32 4.34 0.13 -1.98 0.40 132.00 138.09 2d8r h PRO 36 Ca -0.48 -0.43 0.03 0.00 -0.87 0.00 0.00 66.00 64.25 2d8r h PRO 36 Cb 1.18 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2d8r h PRO 36 CO 0.65 1.06 0.14 0.87 -0.23 0.00 0.00 178.00 180.49 2d8r h LYS 37 N 0.66 0.28 0.06 0.86 6.56 -1.97 -2.45 116.57 120.58 2d8r h LYS 37 Ca 0.05 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.50 2d8r h LYS 37 Cb 0.96 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2d8r h LYS 37 CO 0.09 0.19 -0.61 0.00 -2.06 0.00 0.00 179.45 177.06 2d8r h ARG 38 N 0.29 0.12 -0.99 3.15 2.47 -1.92 -3.26 114.38 114.24 2d8r h ARG 38 Ca 0.14 -0.21 0.17 0.00 -1.26 0.00 0.00 59.98 58.82 2d8r h ARG 38 Cb 0.08 0.08 -0.17 0.00 -1.65 0.00 0.00 29.97 28.30 2d8r h ARG 38 CO -0.12 1.10 -0.33 -2.13 0.56 0.00 0.00 179.97 179.05 2d8r n ARG 39 N -4.35 -0.17 0.20 0.04 0.63 0.14 0.21 116.66 113.36 2d8r n ARG 39 Ca -0.16 1.53 0.04 0.00 -0.92 0.00 0.00 57.85 58.34 2d8r n ARG 39 Cb 0.67 -2.28 0.45 0.00 0.45 0.00 0.00 32.46 31.75 2d8r n ARG 39 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2d8r h LYS 40 N 0.00 0.03 0.40 -0.14 1.57 -1.59 -3.01 116.57 113.83 2d8r h LYS 40 Ca 0.40 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 2d8r h LYS 40 Cb 0.65 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2d8r h LYS 40 CO -1.00 0.26 -0.19 0.93 -0.57 0.00 0.00 179.45 178.88 2d8r h GLU 41 N 0.03 -0.51 -1.59 3.15 4.39 0.24 0.23 114.58 120.52 2d8r h GLU 41 Ca 0.00 0.03 0.47 0.00 0.34 0.00 0.00 59.36 60.21 2d8r h GLU 41 Cb 0.41 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.10 2d8r h GLU 41 CO 0.03 -0.34 1.12 -1.49 -1.16 0.00 0.00 179.01 177.17 2d8r h TRP 42 N -0.90 0.11 0.06 4.33 4.06 -0.74 1.08 115.95 123.96 2d8r h TRP 42 Ca -0.05 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.59 2d8r h TRP 42 Cb 0.41 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.51 2d8r h TRP 42 CO 0.03 -0.03 -1.74 0.28 -3.56 0.00 0.00 178.44 173.42 2d8r h VAL 43 N 0.03 0.86 0.00 1.49 2.07 -1.49 -3.10 116.25 116.11 2d8r h VAL 43 Ca 0.79 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 2d8r h VAL 43 Cb 3.03 2.52 -0.00 0.00 -1.52 0.00 0.00 31.29 35.32 2d8r h VAL 43 CO -0.09 0.69 -0.09 -0.09 0.02 0.00 0.00 177.57 178.02 2d8r h ARG 44 N 0.03 0.00 0.00 1.57 9.65 0.43 -3.11 114.38 122.96 2d8r h ARG 44 Ca -0.31 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.50 2d8r h ARG 44 Cb 2.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.58 2d8r h ARG 44 CO 0.10 0.09 -0.47 -0.07 2.80 0.00 0.00 179.97 182.41 2d8r h LEU 45 N 0.00 0.00 -1.26 3.80 3.38 -0.10 -3.32 115.31 117.81 2d8r h LEU 45 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2d8r h LEU 45 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2d8r h LEU 45 CO 0.01 0.97 0.24 1.62 0.09 0.00 0.00 178.44 181.37 2d8r h VAL 46 N -1.00 0.00 -5.73 1.22 3.04 -1.62 -3.46 116.25 108.71 2d8r h VAL 46 Ca -0.10 0.00 -0.33 0.00 -1.01 0.00 0.00 66.70 65.27 2d8r h VAL 46 Cb 0.75 0.42 0.01 0.00 -2.01 0.00 0.00 31.29 30.46 2d8r h VAL 46 CO -0.06 0.00 -0.92 0.54 -1.01 0.00 0.00 177.57 176.12 2d8r n ARG 47 N -2.28 -1.40 -0.79 4.17 5.12 -1.18 -4.37 116.66 115.93 2d8r n ARG 47 Ca -0.01 0.95 0.05 0.00 -1.93 0.00 0.00 57.85 56.91 2d8r n ARG 47 Cb 0.27 -1.57 0.17 0.00 -1.16 0.00 0.00 32.46 30.17 2d8r n ARG 47 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2d8r n ARG 48 N -0.66 1.33 0.00 5.56 5.12 -1.26 -4.89 116.66 121.86 2d8r n ARG 48 Ca -0.12 -3.09 0.00 0.00 -1.93 0.00 0.00 57.85 52.72 2d8r n ARG 48 Cb 0.53 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 2d8r n ARG 48 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2d8r n LYS 49 N -0.82 0.00 -0.93 5.56 4.81 -1.26 -4.01 118.16 121.51 2d8r n LYS 49 Ca 0.17 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.42 2d8r n LYS 49 Cb 0.78 0.00 -0.09 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 1.17 0.00 0.00 177.40 176.86 2d8r n ASN 50 N 0.43 5.55 -4.86 3.14 4.05 -1.26 -4.88 115.26 117.43 2d8r n ASN 50 Ca 0.00 -2.37 -0.37 0.00 0.45 0.00 0.00 54.58 52.29 2d8r n ASN 50 Cb 0.00 -1.25 -0.06 0.00 1.23 0.00 0.00 39.78 39.70 2d8r n ASN 50 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 2d8r s PHE 51 N 1.94 3.61 0.04 1.20 2.19 -1.26 -5.10 117.98 120.60 2d8r s PHE 51 Ca 0.56 0.60 0.05 0.00 0.33 0.00 0.00 56.93 58.47 2d8r s PHE 51 Cb 0.21 -2.02 -0.02 0.00 -1.31 0.00 0.00 43.02 39.88 2d8r s PHE 51 CO -0.02 0.68 -0.14 0.08 1.83 0.00 0.00 175.22 177.65 2d8r s VAL 52 N -0.92 1.12 0.10 3.12 1.01 -1.26 -4.97 120.40 118.60 2d8r s VAL 52 Ca 0.16 -1.04 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 2d8r s VAL 52 Cb -0.13 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 2d8r s VAL 52 CO 0.05 -0.02 1.37 -2.16 0.00 0.00 0.00 175.10 174.34 2d8r s PRO 53 N -1.21 4.33 0.00 2.72 0.04 -1.26 -4.94 135.00 134.68 2d8r s PRO 53 Ca 0.01 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2d8r s PRO 53 Cb -0.08 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2d8r s PRO 53 CO 0.01 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2d8r n GLY 54 N 3.47 0.21 1.80 0.56 0.00 -1.26 -5.09 105.19 104.89 2d8r n GLY 54 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.48 0.00 -1.46 1.61 4.01 -1.26 -4.91 118.16 114.67 2d8r n LYS 55 Ca 0.00 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.41 2d8r n LYS 55 Cb 0.00 -0.05 -0.02 0.00 -0.51 0.00 0.00 35.03 34.45 2d8r n LYS 55 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2d8r n HIS 56 N -2.98 2.53 -3.96 2.13 8.25 -1.26 -4.82 115.22 115.11 2d8r n HIS 56 Ca 0.00 -3.04 -0.31 0.00 -0.26 0.00 0.00 57.72 54.11 2d8r n HIS 56 Cb 0.00 -2.39 -0.15 0.00 1.12 0.00 0.00 29.99 28.57 2d8r n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2d8r s THR 57 N 1.67 1.76 0.09 1.59 2.01 -1.26 -4.93 115.64 116.57 2d8r s THR 57 Ca 0.66 -1.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 2d8r s THR 57 Cb 0.18 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2d8r s THR 57 CO -0.07 -0.28 -0.01 0.72 -0.69 0.00 0.00 174.62 174.30 2d8r s PHE 58 N 1.24 0.72 -0.00 4.92 -0.12 -1.26 -3.42 117.98 120.06 2d8r s PHE 58 Ca -0.00 -1.10 0.03 0.00 -0.05 0.00 0.00 56.93 55.81 2d8r s PHE 58 Cb -0.19 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.74 2d8r s PHE 58 CO -0.09 -0.38 -0.09 -0.51 -0.05 0.00 0.00 175.22 174.10 2d8r s LEU 59 N -2.99 2.04 0.45 -1.99 1.43 -1.21 -0.50 118.68 115.92 2d8r s LEU 59 Ca 0.14 -0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 2d8r s LEU 59 Cb 0.07 -0.46 -0.08 0.00 0.03 0.00 0.00 46.19 45.76 2d8r s LEU 59 CO -0.05 0.09 1.32 0.00 0.23 0.00 0.00 176.35 177.94 2d8r h SER 61 N 2.25 0.00 -1.02 0.00 4.64 -1.95 -3.16 113.55 114.31 2d8r h SER 61 Ca -0.50 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2d8r h SER 61 Cb 1.26 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.25 2d8r h SER 61 CO 0.61 0.42 0.64 0.07 -0.87 0.00 0.00 176.83 177.69 2d8r h LYS 62 N 0.00 0.48 -0.38 4.77 2.10 -1.92 0.31 116.57 121.93 2d8r h LYS 62 Ca -0.00 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.49 2d8r h LYS 62 Cb 0.97 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 2d8r h LYS 62 CO 0.05 0.32 -0.26 0.45 -2.00 0.00 0.00 179.45 178.02 2d8r h HIS 63 N 0.50 0.90 -4.27 0.07 3.86 -1.94 -3.44 115.15 110.83 2d8r h HIS 63 Ca 0.61 -0.22 -0.51 0.00 -1.16 0.00 0.00 60.37 59.09 2d8r h HIS 63 Cb 1.35 -0.21 0.14 0.00 1.06 0.00 0.00 27.41 29.75 2d8r h HIS 63 CO -0.00 0.96 0.30 -0.06 0.86 0.00 0.00 177.93 179.98 2d8r s PHE 64 N -4.55 2.44 -0.70 2.45 0.40 0.11 -4.53 117.98 113.61 2d8r s PHE 64 Ca -0.09 1.53 0.25 0.00 -0.60 0.00 0.00 56.93 58.02 2d8r s PHE 64 Cb 0.13 -3.09 0.61 0.00 0.51 0.00 0.00 43.02 41.17 2d8r s PHE 64 CO 0.84 -1.99 1.58 0.39 0.70 0.00 0.00 175.22 176.74 2d8r n GLU 65 N -3.65 0.27 0.00 0.44 1.02 -1.26 -4.91 120.64 112.55 2d8r n GLU 65 Ca 0.09 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2d8r n GLU 65 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.80 0.00 1.95 0.62 0.00 -1.26 -4.79 120.51 115.23 2d8r n ALA 66 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.64 2d8r n ALA 66 Cb 0.43 -0.03 0.90 0.00 0.00 0.00 0.00 19.45 20.75 2d8r n ALA 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d8r n SER 67 N 0.00 0.14 -0.94 0.00 2.88 -1.26 -2.90 113.62 111.54 2d8r n SER 67 Ca 0.00 -1.06 0.11 0.00 -1.33 0.00 0.00 58.87 56.60 2d8r n SER 67 Cb 0.00 -0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 2d8r n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d8r s PHE 69 N -1.83 1.27 -0.51 0.00 0.40 -1.14 -1.89 117.98 114.27 2d8r s PHE 69 Ca 0.28 0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.59 2d8r s PHE 69 Cb 0.19 -4.03 0.13 0.00 0.51 0.00 0.00 43.02 39.82 2d8r s PHE 69 CO 0.29 -2.68 0.42 0.34 0.70 0.00 0.00 175.22 174.29 2d8r s ASP 70 N -4.94 5.94 -0.07 1.36 2.15 0.45 -4.69 116.67 116.87 2d8r s ASP 70 Ca 0.75 -1.87 0.05 0.00 0.43 0.00 0.00 52.55 51.91 2d8r s ASP 70 Cb -0.02 -2.10 -0.08 0.00 -0.30 0.00 0.00 42.92 40.41 2d8r s ASP 70 CO 0.52 -0.77 -0.00 0.18 -0.17 0.00 0.00 175.17 174.93 2d8r n LEU 71 N 5.05 0.74 0.00 -1.34 4.32 -1.25 -3.24 117.00 121.28 2d8r n LEU 71 Ca -0.10 -0.01 0.10 0.00 -0.02 0.00 0.00 56.01 55.97 2d8r n LEU 71 Cb 0.40 0.05 0.47 0.00 -1.62 0.00 0.00 43.42 42.73 2d8r n LEU 71 CO 0.48 0.29 0.81 1.07 -1.22 0.00 0.00 177.39 178.82 2d8r n THR 72 N -2.38 0.49 0.01 -5.08 5.66 -1.26 -4.15 114.28 107.57 2d8r n THR 72 Ca -0.12 0.12 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2d8r n THR 72 Cb 0.71 -0.79 -0.00 0.00 -1.55 0.00 0.00 70.33 68.69 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 0.46 -0.12 0.00 1.09 0.00 -1.26 -5.15 105.19 100.21 2d8r n GLY 73 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2d8r n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2d8r n GLN 74 N -3.17 0.00 -1.36 1.61 1.13 -1.26 -5.13 117.38 109.21 2d8r n GLN 74 Ca -0.02 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.63 2d8r n GLN 74 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.43 2d8r n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2d8r n THR 75 N 0.00 1.10 -1.54 5.09 5.66 -1.26 -3.93 114.28 119.39 2d8r n THR 75 Ca 0.00 -0.50 -0.39 0.00 -3.05 0.00 0.00 64.05 60.11 2d8r n THR 75 Cb 0.00 -0.23 -0.05 0.00 -1.55 0.00 0.00 70.33 68.50 2d8r n THR 75 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2d8r n ARG 76 N 0.99 1.05 -4.67 1.09 0.63 -1.20 -4.50 116.66 110.05 2d8r n ARG 76 Ca 0.11 0.09 -0.27 0.00 -0.92 0.00 0.00 57.85 56.87 2d8r n ARG 76 Cb 0.41 -3.11 -0.17 0.00 0.45 0.00 0.00 32.46 30.04 2d8r n ARG 76 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2d8r s ARG 77 N 7.95 2.05 -0.20 -0.14 0.52 -1.21 -4.79 118.95 123.13 2d8r s ARG 77 Ca 1.04 -0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 55.44 2d8r s ARG 77 Cb -0.38 -1.67 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 2d8r s ARG 77 CO 0.32 0.03 2.08 -1.17 0.02 0.00 0.00 175.30 176.58 2d8r s LEU 78 N 0.68 3.63 0.27 2.53 1.98 -1.26 0.17 118.68 126.67 2d8r s LEU 78 Ca -0.14 1.90 -0.31 0.00 -2.89 0.00 0.00 54.13 52.69 2d8r s LEU 78 Cb -0.16 -3.52 -0.13 0.00 0.66 0.00 0.00 46.19 43.05 2d8r s LEU 78 CO 0.04 -1.74 1.48 0.29 -1.89 0.00 0.00 176.35 174.52 2d8r n LYS 79 N 8.46 2.30 0.00 1.98 5.02 -0.79 -4.83 118.16 130.30 2d8r n LYS 79 Ca 0.27 0.82 0.04 0.00 -2.02 0.00 0.00 58.31 57.41 2d8r n LYS 79 Cb 0.45 -2.52 0.18 0.00 -0.02 0.00 0.00 35.03 33.11 2d8r n LYS 79 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2d8r n MET 80 N 2.00 0.08 -0.55 1.97 2.81 -1.26 -1.15 117.12 121.02 2d8r n MET 80 Ca 0.10 0.25 0.08 0.00 -1.81 0.00 0.00 57.70 56.32 2d8r n MET 80 Cb 0.34 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.64 2d8r n MET 80 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2d8r n ASP 81 N -1.33 4.25 -4.75 7.83 8.00 -1.26 -4.73 116.55 124.56 2d8r n ASP 81 Ca 0.03 -3.02 -0.29 0.00 0.71 0.00 0.00 54.79 52.21 2d8r n ASP 81 Cb 0.06 -0.58 -0.07 0.00 -0.02 0.00 0.00 41.12 40.52 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d8r s ALA 82 N -2.84 3.46 0.05 2.24 0.00 -0.30 -5.06 121.76 119.32 2d8r s ALA 82 Ca 0.45 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2d8r s ALA 82 Cb 0.36 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 2d8r s ALA 82 CO 0.10 0.67 -0.08 0.14 0.00 0.00 0.00 175.76 176.59 2d8r s VAL 83 N -1.47 0.58 -0.88 0.00 -7.23 -1.26 -4.93 120.40 105.22 2d8r s VAL 83 Ca 0.28 -1.20 -0.25 0.00 -1.81 0.00 0.00 61.98 59.01 2d8r s VAL 83 Cb -0.11 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 2d8r s VAL 83 CO 0.21 -0.44 1.93 -2.16 -0.31 0.00 0.00 175.10 174.34 2d8r s PRO 84 N -1.87 2.57 0.00 4.82 0.04 -1.26 -4.78 135.00 134.52 2d8r s PRO 84 Ca -0.07 -0.21 0.15 0.00 0.04 0.00 0.00 61.00 60.91 2d8r s PRO 84 Cb -0.08 -5.00 0.92 0.00 0.04 0.00 0.00 34.50 30.38 2d8r s PRO 84 CO -0.00 -3.31 1.38 0.25 0.04 0.00 0.00 177.00 175.36 2d8r n THR 85 N 7.81 0.00 -4.24 1.26 -2.24 -1.26 -4.71 114.28 110.89 2d8r n THR 85 Ca 0.38 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.95 2d8r n THR 85 Cb 0.47 -0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.47 0.10 2.28 1.01 -1.26 -4.99 121.20 117.80 2d8r s ILE 86 Ca 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.41 2d8r s ILE 86 Cb 0.11 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.20 2d8r s ILE 86 CO 0.18 -0.15 0.00 0.49 0.00 0.00 0.00 174.94 175.46 2d8r n PHE 87 N 1.11 -2.25 0.00 3.97 3.72 -1.26 -4.88 117.46 117.87 2d8r n PHE 87 Ca -0.20 0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2d8r n PHE 87 Cb 0.54 1.08 0.00 0.00 -0.94 0.00 0.00 39.48 40.16 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2d8r n ASP 88 N -2.75 0.00 -0.49 4.37 9.92 -1.26 -5.03 116.55 121.32 2d8r n ASP 88 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 2d8r n ASP 88 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 2d8r n ASP 88 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2d8r n PHE 89 N -0.90 -0.00 0.00 1.24 -0.00 -1.26 -4.82 117.46 111.72 2d8r n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2d8r n PHE 89 Cb 0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 39.48 38.07 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2d8r n THR 91 N -2.64 0.00 -4.08 0.00 -2.24 -1.26 -4.92 114.28 99.15 2d8r n THR 91 Ca 0.00 0.61 -0.26 0.00 -2.27 0.00 0.00 64.05 62.13 2d8r n THR 91 Cb 0.21 -1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 67.11 2d8r n THR 91 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2d8r s HIS 92 N -1.00 3.16 -0.03 4.78 5.65 -1.26 -5.12 115.29 121.47 2d8r s HIS 92 Ca 0.00 -0.01 -0.00 0.00 0.25 0.00 0.00 55.06 55.30 2d8r s HIS 92 Cb 0.00 -1.52 0.03 0.00 -1.18 0.00 0.00 32.58 29.91 2d8r s HIS 92 CO 0.00 0.52 0.02 0.96 -0.65 0.00 0.00 174.74 175.59 2d8r s ILE 93 N -1.73 0.08 0.00 0.89 -4.36 -1.26 -4.35 121.20 110.47 2d8r s ILE 93 Ca 0.31 0.18 0.00 0.00 -0.26 0.00 0.00 60.65 60.88 2d8r s ILE 93 Cb -0.10 -0.22 0.00 0.00 1.25 0.00 0.00 42.46 43.39 2d8r s ILE 93 CO 0.23 0.14 0.00 -0.24 0.24 0.00 0.00 174.94 175.32 2d8r n SER 94 N 4.40 1.49 -0.97 4.36 2.88 -1.26 -4.92 113.62 119.60 2d8r n SER 94 Ca -0.22 -0.68 -0.00 0.00 -1.33 0.00 0.00 58.87 56.64 2d8r n SER 94 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 5.00 0.50 3.02 0.46 0.00 -1.26 -4.92 105.19 107.99 2d8r n GLY 95 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 2d8r n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8r n PRO 96 N -0.99 1.49 -1.62 1.61 -0.04 -1.26 -4.40 135.00 129.80 2d8r n PRO 96 Ca -0.00 -1.68 -0.01 0.00 -0.04 0.00 0.00 63.50 61.77 2d8r n PRO 96 Cb 0.50 -2.78 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 2d8r n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8r n SER 97 N 6.85 -1.81 -3.95 3.54 2.88 -1.26 -5.12 113.62 114.74 2d8r n SER 97 Ca 0.47 0.14 -0.20 0.00 -1.33 0.00 0.00 58.87 57.96 2d8r n SER 97 Cb 0.34 -1.46 -0.09 0.00 -0.75 0.00 0.00 64.21 62.25 2d8r n SER 97 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8r s SER 98 N -0.07 1.73 0.00 -3.46 0.01 -1.26 -5.29 113.70 105.35 2d8r s SER 98 Ca -0.03 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.64 2d8r s SER 98 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2d8r s SER 98 CO 0.09 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.44