#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 2.08 -3.63 1.61 3.41 -1.26 -4.98 113.62 110.85 2d8r n SER 2 Ca 0.00 -3.52 -0.05 0.00 -0.26 0.00 0.00 58.87 55.05 2d8r n SER 2 Cb 0.00 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.40 2d8r n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d8r s SER 3 N -3.02 -0.87 0.00 4.04 0.15 -1.26 -5.16 113.70 107.58 2d8r s SER 3 Ca 0.36 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.36 2d8r s SER 3 Cb 0.33 1.50 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 2d8r s SER 3 CO -0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2d8r n GLY 4 N 4.39 1.26 1.27 9.45 0.00 -1.26 -5.11 105.19 115.18 2d8r n GLY 4 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -0.75 0.00 1.61 7.64 -1.26 -5.08 113.62 115.78 2d8r n SER 5 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2d8r n SER 5 Cb 0.00 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 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 -2.58 0.00 0.00 6.43 2.88 -1.26 -4.85 113.62 114.24 2d8r n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2d8r n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2d8r n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8r n GLY 7 N 0.00 0.55 3.35 0.46 0.00 -1.26 -5.10 105.19 103.20 2d8r n GLY 7 Ca 0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 2d8r n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d8r s MET 8 N -2.00 1.87 -0.39 1.61 0.00 -1.26 -5.09 119.30 114.05 2d8r s MET 8 Ca 0.00 -1.08 -0.28 0.00 0.00 0.00 0.00 55.69 54.33 2d8r s MET 8 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 34.83 32.81 2d8r s MET 8 CO 0.00 0.52 1.72 -1.25 0.00 0.00 0.00 175.02 176.01 2d8r s PRO 9 N -1.19 3.29 0.03 3.16 0.04 -1.26 -4.94 135.00 134.13 2d8r s PRO 9 Ca 0.12 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 2d8r s PRO 9 Cb -0.10 -4.19 0.01 0.00 0.04 0.00 0.00 34.50 30.26 2d8r s PRO 9 CO 0.02 -1.91 0.04 0.25 0.04 0.00 0.00 177.00 175.44 2d8r n THR 10 N 7.31 0.00 -3.76 1.26 -2.24 -1.26 -4.82 114.28 110.77 2d8r n THR 10 Ca 0.21 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.83 2d8r n THR 10 Cb 0.48 -1.84 -0.10 0.00 -2.10 0.00 0.00 70.33 66.77 2d8r n THR 10 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2d8r s ASN 11 N -1.23 -0.27 0.24 3.42 2.20 -1.25 -4.18 114.94 113.87 2d8r s ASN 11 Ca 0.03 0.36 -0.30 0.00 -0.94 0.00 0.00 52.86 52.01 2d8r s ASN 11 Cb -0.00 0.49 -0.09 0.00 -2.00 0.00 0.00 41.25 39.65 2d8r s ASN 11 CO 0.02 -0.30 1.24 0.00 -2.94 0.00 0.00 177.10 175.12 2d8r h ALA 13 N 4.58 0.45 -0.05 0.00 0.00 -1.46 -3.45 119.26 119.33 2d8r h ALA 13 Ca -0.46 -1.04 -0.37 0.00 0.00 0.00 0.00 54.91 53.04 2d8r h ALA 13 Cb 1.22 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2d8r h ALA 13 CO 0.72 1.32 1.85 0.00 0.00 0.00 0.00 179.25 183.14 2d8r n ALA 14 N -2.40 0.91 -1.39 0.00 0.00 -1.26 -4.66 120.51 111.70 2d8r n ALA 14 Ca -0.04 -0.75 -0.50 0.00 0.00 0.00 0.00 53.44 52.16 2d8r n ALA 14 Cb 0.96 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 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 7.55 0.39 0.00 0.00 0.00 -1.26 -0.43 120.51 126.77 2d8r n ALA 15 Ca 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2d8r n ALA 15 Cb 0.14 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.31 2d8r n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8r n GLY 16 N 6.89 3.61 3.84 0.00 0.00 -1.26 -5.10 105.19 113.16 2d8r n GLY 16 Ca 0.57 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2d8r n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d8r s ALA 18 N -2.80 0.33 -0.15 0.00 0.00 -1.26 -4.81 121.76 113.07 2d8r s ALA 18 Ca 0.59 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.41 2d8r s ALA 18 Cb -0.12 -0.79 0.05 0.00 0.00 0.00 0.00 23.12 22.25 2d8r s ALA 18 CO 0.43 -0.76 0.39 0.99 0.00 0.00 0.00 175.76 176.80 2d8r s THR 19 N 2.15 -0.01 0.34 0.00 2.01 -1.26 -5.01 115.64 113.86 2d8r s THR 19 Ca 0.04 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.12 2d8r s THR 19 Cb -0.14 -0.56 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 2d8r s THR 19 CO -0.05 0.02 0.07 0.42 -0.69 0.00 0.00 174.62 174.38 2d8r s THR 20 N 0.79 1.12 0.19 -0.82 -4.23 -1.26 -2.90 115.64 108.53 2d8r s THR 20 Ca -0.05 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 2d8r s THR 20 Cb -0.06 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.29 2d8r s THR 20 CO -0.06 0.00 1.23 0.00 -0.54 0.00 0.00 174.62 175.25 2d8r n TYR 21 N -0.73 0.09 -2.23 3.99 9.36 -1.26 -4.82 117.16 121.56 2d8r n TYR 21 Ca -0.03 0.97 0.00 0.00 3.32 0.00 0.00 57.90 62.16 2d8r n TYR 21 Cb 0.66 -0.83 0.00 0.00 -0.63 0.00 0.00 39.34 38.54 2d8r n TYR 21 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2d8r n ASN 22 N -5.19 -2.61 0.00 2.98 4.13 -1.26 -4.74 115.26 108.58 2d8r n ASN 22 Ca 0.09 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.35 2d8r n ASN 22 Cb 0.34 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.57 2d8r n ASN 22 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2d8r n LYS 23 N -0.85 0.03 -2.31 3.52 4.81 -1.26 -4.83 118.16 117.27 2d8r n LYS 23 Ca 0.00 0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.04 2d8r n LYS 23 Cb 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 35.03 34.78 2d8r n LYS 23 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2d8r n HIS 24 N -2.82 2.65 -0.12 5.64 8.25 -1.26 -4.51 115.22 123.06 2d8r n HIS 24 Ca -0.01 -2.72 -0.21 0.00 -0.26 0.00 0.00 57.72 54.52 2d8r n HIS 24 Cb 0.03 -1.63 -0.09 0.00 1.12 0.00 0.00 29.99 29.42 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 1.48 1.29 0.00 1.59 5.41 -1.26 -4.99 119.36 122.88 2d8r n ILE 25 Ca 0.51 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2d8r n ILE 25 Cb 0.28 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 2d8r n ILE 25 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2d8r n ASN 26 N -3.67 0.00 -4.66 4.38 0.23 -1.26 -4.97 115.26 105.32 2d8r n ASN 26 Ca -0.44 0.00 -0.45 0.00 -0.53 0.00 0.00 54.58 53.16 2d8r n ASN 26 Cb 0.87 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.54 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2d8r n ILE 27 N 0.00 0.90 -3.61 1.53 5.41 -1.26 -4.96 119.36 117.37 2d8r n ILE 27 Ca 0.00 -0.23 -0.36 0.00 1.00 0.00 0.00 62.75 63.16 2d8r n ILE 27 Cb 0.00 -1.40 -0.07 0.00 -0.71 0.00 0.00 39.64 37.46 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 0.28 6.39 -0.63 4.38 1.04 -1.26 -4.96 113.70 118.93 2d8r s SER 28 Ca 0.69 0.45 -0.28 0.00 0.48 0.00 0.00 55.95 57.30 2d8r s SER 28 Cb -0.68 -2.15 0.03 0.00 0.10 0.00 0.00 66.02 63.32 2d8r s SER 28 CO 0.49 0.15 1.21 0.72 0.98 0.00 0.00 173.24 176.80 2d8r s PHE 29 N 0.27 2.50 -0.50 5.02 -0.71 -1.26 -3.71 117.98 119.59 2d8r s PHE 29 Ca 0.14 0.23 -0.10 0.00 -1.04 0.00 0.00 56.93 56.17 2d8r s PHE 29 Cb -0.13 -4.54 0.13 0.00 -1.21 0.00 0.00 43.02 37.27 2d8r s PHE 29 CO 0.03 -1.75 0.38 -1.01 -1.34 0.00 0.00 175.22 171.53 2d8r s HIS 30 N 5.18 3.42 1.15 3.49 3.76 -1.23 -4.96 115.29 126.11 2d8r s HIS 30 Ca 0.40 -1.87 -0.18 0.00 -0.15 0.00 0.00 55.06 53.27 2d8r s HIS 30 Cb -0.08 -3.53 0.17 0.00 1.11 0.00 0.00 32.58 30.25 2d8r s HIS 30 CO 0.22 -0.99 0.26 2.89 -0.85 0.00 0.00 174.74 176.27 2d8r n ARG 31 N 4.84 -2.10 -1.53 1.40 1.85 -1.26 -3.25 116.66 116.61 2d8r n ARG 31 Ca -0.07 -0.60 -0.34 0.00 -1.00 0.00 0.00 57.85 55.84 2d8r n ARG 31 Cb 0.41 -1.77 0.08 0.00 -1.05 0.00 0.00 32.46 30.13 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 -2.23 2.20 0.43 2.89 0.40 -1.24 -4.85 117.98 115.58 2d8r s PHE 32 Ca 0.57 1.59 -0.24 0.00 -0.60 0.00 0.00 56.93 58.25 2d8r s PHE 32 Cb -0.14 -3.39 -0.08 0.00 0.51 0.00 0.00 43.02 39.92 2d8r s PHE 32 CO 0.62 -2.36 1.18 -1.25 0.70 0.00 0.00 175.22 174.11 2d8r s PRO 33 N -3.94 3.89 0.37 0.24 0.04 -1.26 -4.94 135.00 129.40 2d8r s PRO 33 Ca 0.72 1.83 0.26 0.00 0.04 0.00 0.00 61.00 63.85 2d8r s PRO 33 Cb -0.27 -2.54 0.68 0.00 0.04 0.00 0.00 34.50 32.41 2d8r s PRO 33 CO 0.44 -0.45 1.72 -0.07 0.04 0.00 0.00 177.00 178.68 2d8r h LEU 34 N 2.33 0.00 -9.92 -3.56 -0.00 -1.94 -3.37 115.31 98.86 2d8r h LEU 34 Ca -0.49 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 56.93 2d8r h LEU 34 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 2d8r h LEU 34 CO 0.61 0.00 0.34 -0.62 -0.00 0.00 0.00 178.44 178.77 2d8r s ASP 35 N -5.46 7.26 0.27 -0.43 2.15 -1.26 -4.93 116.67 114.27 2d8r s ASP 35 Ca 0.07 1.80 0.05 0.00 0.43 0.00 0.00 52.55 54.90 2d8r s ASP 35 Cb 0.08 -2.57 0.37 0.00 -0.30 0.00 0.00 42.92 40.50 2d8r s ASP 35 CO 0.61 -0.12 1.65 1.55 -0.17 0.00 0.00 175.17 178.69 2d8r h PRO 36 N 2.94 0.29 -0.76 4.34 0.13 -1.98 0.32 132.00 137.29 2d8r h PRO 36 Ca -0.47 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2d8r h PRO 36 Cb 1.19 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2d8r h PRO 36 CO 0.64 0.69 0.46 0.87 -0.23 0.00 0.00 178.00 180.44 2d8r h LYS 37 N 0.24 1.03 0.03 0.86 1.57 -1.97 -2.90 116.57 115.44 2d8r h LYS 37 Ca 0.02 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.46 2d8r h LYS 37 Cb 0.90 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 2d8r h LYS 37 CO 0.07 0.73 -1.31 0.00 -0.57 0.00 0.00 179.45 178.37 2d8r h ARG 38 N 1.04 0.07 -0.87 3.15 2.47 -1.89 -3.28 114.38 115.06 2d8r h ARG 38 Ca 0.27 -0.11 0.19 0.00 -1.26 0.00 0.00 59.98 59.07 2d8r h ARG 38 Cb -0.04 0.04 -0.16 0.00 -1.65 0.00 0.00 29.97 28.15 2d8r h ARG 38 CO -0.05 1.05 -0.15 -2.13 0.56 0.00 0.00 179.97 179.25 2d8r n ARG 39 N -4.25 -0.08 -0.07 0.04 0.63 0.11 0.17 116.66 113.21 2d8r n ARG 39 Ca -0.30 1.34 -0.12 0.00 -0.92 0.00 0.00 57.85 57.85 2d8r n ARG 39 Cb 0.75 -2.04 0.01 0.00 0.45 0.00 0.00 32.46 31.63 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 0.80 0.79 -0.14 1.79 -1.69 -3.05 116.57 115.07 2d8r h LYS 40 Ca 0.45 -0.45 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2d8r h LYS 40 Cb 0.76 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.45 2d8r h LYS 40 CO -0.88 1.08 -0.38 0.93 -1.08 0.00 0.00 179.45 179.13 2d8r h GLU 41 N 0.64 -1.02 -0.81 3.15 3.07 0.16 0.34 114.58 120.11 2d8r h GLU 41 Ca 0.04 0.07 0.20 0.00 -0.50 0.00 0.00 59.36 59.17 2d8r h GLU 41 Cb 1.03 0.23 -0.13 0.00 -0.84 0.00 0.00 28.75 29.04 2d8r h GLU 41 CO 0.10 -0.67 0.19 -1.49 -1.40 0.00 0.00 179.01 175.73 2d8r h TRP 42 N -1.08 0.28 0.00 4.33 4.06 -0.61 0.86 115.95 123.78 2d8r h TRP 42 Ca -0.11 0.05 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 2d8r h TRP 42 Cb 0.81 0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 2d8r h TRP 42 CO -0.02 -0.16 -0.38 0.28 -3.56 0.00 0.00 178.44 174.60 2d8r h VAL 43 N 0.22 0.79 0.00 1.49 2.07 -1.40 -2.26 116.25 117.16 2d8r h VAL 43 Ca 0.48 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 2d8r h VAL 43 Cb 0.91 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2d8r h VAL 43 CO -0.60 0.37 -0.34 -0.09 0.02 0.00 0.00 177.57 176.92 2d8r h ARG 44 N 0.00 0.00 0.00 1.57 2.43 0.43 -2.98 114.38 115.83 2d8r h ARG 44 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2d8r h ARG 44 Cb 1.04 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 2d8r h ARG 44 CO 0.05 0.06 -1.41 1.28 -1.51 0.00 0.00 179.97 178.44 2d8r n LEU 45 N -3.01 0.80 0.01 3.80 4.77 0.24 -3.90 117.00 119.72 2d8r n LEU 45 Ca 0.02 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 2d8r n LEU 45 Cb 0.57 0.07 0.29 0.00 -2.33 0.00 0.00 43.42 42.02 2d8r n LEU 45 CO 0.36 0.10 0.51 0.55 -1.33 0.00 0.00 177.39 177.59 2d8r n VAL 46 N -2.83 0.06 -3.59 4.08 3.14 -0.86 -4.90 118.33 113.41 2d8r n VAL 46 Ca -0.09 -0.04 -0.30 0.00 -2.96 0.00 0.00 64.34 60.94 2d8r n VAL 46 Cb 0.80 0.08 0.02 0.00 -1.06 0.00 0.00 33.84 33.68 2d8r n VAL 46 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2d8r n ARG 47 N -1.60 -1.64 -0.73 1.45 1.74 -1.12 -4.36 116.66 110.39 2d8r n ARG 47 Ca 0.05 1.00 0.01 0.00 -0.77 0.00 0.00 57.85 58.15 2d8r n ARG 47 Cb 0.35 -2.01 0.20 0.00 -1.02 0.00 0.00 32.46 29.98 2d8r n ARG 47 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2d8r n ARG 48 N -1.47 1.76 0.00 5.56 1.74 -1.26 -4.85 116.66 118.14 2d8r n ARG 48 Ca -0.21 -3.32 0.00 0.00 -0.77 0.00 0.00 57.85 53.55 2d8r n ARG 48 Cb 0.66 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2d8r n ARG 48 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2d8r n LYS 49 N -1.10 0.00 -0.86 5.56 4.81 -1.26 -3.50 118.16 121.80 2d8r n LYS 49 Ca 0.25 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.54 2d8r n LYS 49 Cb 0.80 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.74 2d8r n LYS 49 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2d8r n ASN 50 N -1.60 4.85 -4.92 3.14 3.02 -1.26 -4.87 115.26 113.62 2d8r n ASN 50 Ca 0.00 -2.33 -0.31 0.00 -0.03 0.00 0.00 54.58 51.91 2d8r n ASN 50 Cb 0.00 -1.19 -0.04 0.00 -0.61 0.00 0.00 39.78 37.94 2d8r n ASN 50 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2d8r s PHE 51 N 1.67 3.51 0.03 3.10 5.36 -1.23 -5.12 117.98 125.31 2d8r s PHE 51 Ca 0.55 0.28 0.05 0.00 -0.96 0.00 0.00 56.93 56.85 2d8r s PHE 51 Cb 0.23 -1.79 -0.02 0.00 -0.34 0.00 0.00 43.02 41.11 2d8r s PHE 51 CO -0.01 0.57 -0.16 0.08 -1.46 0.00 0.00 175.22 174.24 2d8r s VAL 52 N -1.53 1.27 -0.91 3.12 1.01 -1.26 -5.00 120.40 117.10 2d8r s VAL 52 Ca 0.36 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 2d8r s VAL 52 Cb -0.13 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2d8r s VAL 52 CO 0.28 0.12 1.95 -2.16 0.00 0.00 0.00 175.10 175.29 2d8r s PRO 53 N -0.99 2.55 0.00 2.72 0.04 -1.26 -4.81 135.00 133.25 2d8r s PRO 53 Ca 0.04 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.75 2d8r s PRO 53 Cb -0.08 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2d8r s PRO 53 CO 0.01 -3.40 0.00 0.41 0.04 0.00 0.00 177.00 174.06 2d8r n GLY 54 N 6.81 0.81 2.96 0.56 0.00 -1.26 -5.01 105.19 110.05 2d8r n GLY 54 Ca 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 2d8r n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d8r s LYS 55 N 0.00 0.26 0.00 1.61 2.20 -1.26 -4.79 119.74 117.76 2d8r s LYS 55 Ca 0.00 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 2d8r s LYS 55 Cb 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 2d8r s LYS 55 CO 0.00 -0.01 0.00 0.72 -0.36 0.00 0.00 175.35 175.70 2d8r n HIS 56 N 2.10 0.00 -2.65 4.03 8.25 -1.26 -4.96 115.22 120.72 2d8r n HIS 56 Ca -0.20 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.83 2d8r n HIS 56 Cb 0.57 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 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 -3.11 4.39 0.16 1.59 2.01 -1.26 -3.85 115.64 115.57 2d8r s THR 57 Ca 0.00 1.40 -0.04 0.00 0.31 0.00 0.00 61.69 63.37 2d8r s THR 57 Cb 0.00 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 2d8r s THR 57 CO 0.00 -0.73 0.15 0.72 -0.69 0.00 0.00 174.62 174.07 2d8r s PHE 58 N 3.98 0.79 -0.01 4.92 -0.12 -1.24 -3.59 117.98 122.71 2d8r s PHE 58 Ca 0.45 -1.13 0.03 0.00 -0.05 0.00 0.00 56.93 56.24 2d8r s PHE 58 Cb -0.10 -0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 41.92 2d8r s PHE 58 CO 0.23 -0.62 -0.10 -0.51 -0.05 0.00 0.00 175.22 174.18 2d8r s LEU 59 N -3.05 2.00 0.29 -1.99 1.43 -1.20 -1.12 118.68 115.04 2d8r s LEU 59 Ca 0.25 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 2d8r s LEU 59 Cb 0.06 -0.51 -0.10 0.00 0.03 0.00 0.00 46.19 45.67 2d8r s LEU 59 CO 0.04 0.12 1.34 0.00 0.23 0.00 0.00 176.35 178.07 2d8r h SER 61 N 4.05 0.10 -0.88 0.00 4.64 -1.93 -3.04 113.55 116.48 2d8r h SER 61 Ca -0.48 -0.03 0.23 0.00 -0.47 0.00 0.00 61.79 61.05 2d8r h SER 61 Cb 1.22 -0.03 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 2d8r h SER 61 CO 0.70 0.40 0.12 0.11 -0.87 0.00 0.00 176.83 177.29 2d8r h LYS 62 N 0.10 0.11 -0.99 4.77 1.57 -1.91 0.62 116.57 120.84 2d8r h LYS 62 Ca 0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2d8r h LYS 62 Cb 0.57 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 2d8r h LYS 62 CO 0.04 0.07 0.64 0.45 -0.57 0.00 0.00 179.45 180.08 2d8r h HIS 63 N 0.12 1.26 -3.78 -1.35 3.86 -1.84 -3.43 115.15 109.98 2d8r h HIS 63 Ca 0.54 0.02 -0.46 0.00 -1.16 0.00 0.00 60.37 59.30 2d8r h HIS 63 Cb 1.08 -0.42 0.18 0.00 1.06 0.00 0.00 27.41 29.30 2d8r h HIS 63 CO -0.37 0.81 0.15 -0.06 0.86 0.00 0.00 177.93 179.32 2d8r s PHE 64 N -6.07 1.87 -0.69 2.45 0.40 0.22 -4.27 117.98 111.89 2d8r s PHE 64 Ca -0.13 1.21 0.25 0.00 -0.60 0.00 0.00 56.93 57.67 2d8r s PHE 64 Cb 0.18 -3.19 0.59 0.00 0.51 0.00 0.00 43.02 41.12 2d8r s PHE 64 CO 0.82 -3.06 1.56 0.39 0.70 0.00 0.00 175.22 175.63 2d8r n GLU 65 N -4.34 0.27 0.00 0.44 1.02 -1.26 -4.91 120.64 111.86 2d8r n GLU 65 Ca 0.06 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2d8r n GLU 65 Cb 0.55 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.91 0.00 0.00 0.00 0.00 19.45 20.76 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 0.00 0.12 -0.66 0.00 7.64 -1.26 -2.88 113.62 116.59 2d8r n SER 67 Ca 0.00 -1.03 0.10 0.00 1.01 0.00 0.00 58.87 58.95 2d8r n SER 67 Cb 0.00 -0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2d8r n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8r s PHE 69 N -2.04 1.35 -0.56 0.00 0.40 -1.14 -1.28 117.98 114.71 2d8r s PHE 69 Ca 0.21 0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.82 2d8r s PHE 69 Cb 0.17 -4.22 0.15 0.00 0.51 0.00 0.00 43.02 39.63 2d8r s PHE 69 CO 0.39 -2.81 0.37 0.34 0.70 0.00 0.00 175.22 174.21 2d8r s ASP 70 N -4.94 3.88 0.00 1.36 2.15 0.60 -4.72 116.67 115.00 2d8r s ASP 70 Ca 0.76 -3.28 0.00 0.00 0.43 0.00 0.00 52.55 50.46 2d8r s ASP 70 Cb -0.03 -1.28 0.00 0.00 -0.30 0.00 0.00 42.92 41.31 2d8r s ASP 70 CO 0.54 -0.17 0.00 0.00 -0.17 0.00 0.00 175.17 175.37 2d8r n LEU 71 N 2.69 0.00 -3.52 -1.34 -0.00 -1.25 -3.33 117.00 110.25 2d8r n LEU 71 Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.93 2d8r n LEU 71 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.74 2d8r n LEU 71 CO 0.24 0.00 -0.09 1.07 -0.00 0.00 0.00 177.39 178.61 2d8r n THR 72 N 0.00 0.00 0.00 1.47 5.66 -1.26 -2.10 114.28 118.05 2d8r n THR 72 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2d8r n THR 72 Cb 0.00 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 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 -0.80 1.87 1.05 1.09 0.00 -1.26 -5.11 105.19 102.03 2d8r n GLY 73 Ca 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 2d8r n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d8r n GLN 74 N 0.00 -1.77 -0.63 1.61 10.64 -0.89 -5.01 117.38 121.33 2d8r n GLN 74 Ca 0.00 -0.52 -0.28 0.00 -1.83 0.00 0.00 57.00 54.37 2d8r n GLN 74 Cb 0.00 -0.50 0.25 0.00 -0.86 0.00 0.00 30.24 29.13 2d8r n GLN 74 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2d8r s THR 75 N -1.57 1.92 -0.73 -0.39 -1.32 -1.26 -4.56 115.64 107.73 2d8r s THR 75 Ca 0.21 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.47 2d8r s THR 75 Cb -0.02 -2.13 0.07 0.00 -1.51 0.00 0.00 72.50 68.91 2d8r s THR 75 CO 0.16 0.00 1.04 -0.13 -2.21 0.00 0.00 174.62 173.49 2d8r s ARG 76 N -4.61 3.21 -0.19 7.08 3.00 -1.26 -3.88 118.95 122.30 2d8r s ARG 76 Ca 0.68 -0.93 -0.06 0.00 0.00 0.00 0.00 55.73 55.42 2d8r s ARG 76 Cb -0.23 -4.38 -0.03 0.00 0.00 0.00 0.00 34.95 30.31 2d8r s ARG 76 CO 0.63 -1.86 0.03 1.03 0.00 0.00 0.00 175.30 175.12 2d8r s ARG 77 N 4.07 3.77 -0.06 3.54 0.52 -1.21 -4.80 118.95 124.78 2d8r s ARG 77 Ca 0.26 -0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 54.73 2d8r s ARG 77 Cb -0.13 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 2d8r s ARG 77 CO 0.07 0.12 1.33 -1.17 0.02 0.00 0.00 175.30 175.67 2d8r s LEU 78 N 0.74 4.27 0.01 2.53 1.98 -1.26 0.22 118.68 127.17 2d8r s LEU 78 Ca 0.02 1.93 -0.30 0.00 -2.89 0.00 0.00 54.13 52.88 2d8r s LEU 78 Cb -0.14 -3.55 -0.07 0.00 0.66 0.00 0.00 46.19 43.09 2d8r s LEU 78 CO 0.02 -0.70 1.58 -0.54 -1.89 0.00 0.00 176.35 174.82 2d8r s LYS 79 N 2.74 4.22 0.46 1.98 1.02 -0.40 -4.84 119.74 124.91 2d8r s LYS 79 Ca 0.60 2.19 0.21 0.00 0.02 0.00 0.00 55.97 58.98 2d8r s LYS 79 Cb -0.27 -3.71 1.12 0.00 -0.52 0.00 0.00 37.83 34.45 2d8r s LYS 79 CO 0.22 -0.73 1.58 0.52 -0.92 0.00 0.00 175.35 176.03 2d8r h MET 80 N 8.56 0.00 -0.74 1.68 2.86 -1.93 0.57 114.93 125.93 2d8r h MET 80 Ca -0.40 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.14 2d8r h MET 80 Cb 1.19 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.79 2d8r h MET 80 CO 0.93 0.00 0.12 -0.25 1.06 0.00 0.00 176.91 178.77 2d8r n ASP 81 N -2.40 4.55 -4.58 1.22 9.92 -1.26 -4.75 116.55 119.25 2d8r n ASP 81 Ca -0.01 -2.88 -0.33 0.00 -0.53 0.00 0.00 54.79 51.03 2d8r n ASP 81 Cb 0.32 -0.68 -0.11 0.00 -0.64 0.00 0.00 41.12 40.01 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d8r s ALA 82 N -2.48 2.98 0.12 2.24 0.00 0.20 -5.07 121.76 119.74 2d8r s ALA 82 Ca 0.44 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.54 2d8r s ALA 82 Cb 0.35 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2d8r s ALA 82 CO 0.12 0.59 -0.19 0.14 0.00 0.00 0.00 175.76 176.42 2d8r s VAL 83 N -0.87 1.62 -1.03 0.00 -7.23 -1.26 -4.93 120.40 106.70 2d8r s VAL 83 Ca 0.14 -1.63 -0.24 0.00 -1.81 0.00 0.00 61.98 58.44 2d8r s VAL 83 Cb -0.11 -1.57 -0.07 0.00 0.56 0.00 0.00 36.38 35.20 2d8r s VAL 83 CO 0.04 -0.19 1.94 -2.16 -0.31 0.00 0.00 175.10 174.42 2d8r s PRO 84 N -2.20 2.52 0.00 4.82 0.04 -1.26 -4.75 135.00 134.17 2d8r s PRO 84 Ca 0.08 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.45 2d8r s PRO 84 Cb -0.08 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2d8r s PRO 84 CO 0.04 -3.66 0.98 0.25 0.04 0.00 0.00 177.00 174.66 2d8r n THR 85 N 7.85 0.00 -3.73 1.26 -2.24 -1.26 -4.67 114.28 111.49 2d8r n THR 85 Ca 0.42 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.04 2d8r n THR 85 Cb 0.47 -0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.99 -0.10 0.00 2.28 1.01 -1.26 -5.00 121.20 116.14 2d8r s ILE 86 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2d8r s ILE 86 Cb 0.00 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.31 2d8r s ILE 86 CO 0.00 0.12 0.63 0.49 0.00 0.00 0.00 174.94 176.18 2d8r n PHE 87 N 4.61 0.00 -3.83 3.97 3.72 -1.26 -4.59 117.46 120.08 2d8r n PHE 87 Ca -0.19 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.15 2d8r n PHE 87 Cb 0.50 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2d8r s ASP 88 N -0.32 -0.16 0.06 4.37 1.01 -1.26 -5.15 116.67 115.21 2d8r s ASP 88 Ca 0.00 -0.74 -0.12 0.00 0.71 0.00 0.00 52.55 52.40 2d8r s ASP 88 Cb 0.00 0.72 0.01 0.00 1.01 0.00 0.00 42.92 44.66 2d8r s ASP 88 CO 0.00 -1.37 0.26 0.72 0.21 0.00 0.00 175.17 174.99 2d8r s PHE 89 N -3.29 -0.01 0.00 4.23 -0.12 -1.26 -5.11 117.98 112.42 2d8r s PHE 89 Ca 0.13 -0.22 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 2d8r s PHE 89 Cb -0.05 0.04 0.00 0.00 -0.63 0.00 0.00 43.02 42.38 2d8r s PHE 89 CO 0.08 -0.51 0.00 0.00 -0.05 0.00 0.00 175.22 174.74 2d8r s THR 91 N 0.00 0.02 0.00 0.00 -1.32 -1.26 -4.81 115.64 108.27 2d8r s THR 91 Ca 0.00 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2d8r s THR 91 Cb 0.00 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 2d8r s THR 91 CO 0.00 -0.07 0.00 1.41 -2.21 0.00 0.00 174.62 173.75 2d8r n HIS 92 N 1.50 0.00 0.00 9.09 8.25 -1.26 -5.02 115.22 127.78 2d8r n HIS 92 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2d8r n HIS 92 Cb 0.56 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2d8r n HIS 92 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2d8r n ILE 93 N -1.10 0.00 0.00 1.59 -5.35 -1.26 -4.99 119.36 108.25 2d8r n ILE 93 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2d8r n ILE 93 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2d8r n ILE 93 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2d8r n SER 94 N -1.35 0.00 -3.86 7.28 7.64 -1.26 -4.94 113.62 117.12 2d8r n SER 94 Ca 0.00 0.74 0.04 0.00 1.01 0.00 0.00 58.87 60.65 2d8r n SER 94 Cb 0.00 -0.24 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 2d8r n SER 94 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d8r s GLY 95 N -0.47 -0.26 0.48 0.23 0.00 -1.26 -5.16 107.32 100.89 2d8r s GLY 95 Ca 0.00 0.30 -0.22 0.00 0.00 0.00 0.00 44.72 44.80 2d8r s GLY 95 CO 0.00 4.93 1.15 2.56 0.00 0.00 0.00 173.10 181.74 2d8r s PRO 96 N -2.04 3.64 -1.09 2.90 0.04 -1.26 -4.79 135.00 132.40 2d8r s PRO 96 Ca 0.27 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 2d8r s PRO 96 Cb 0.02 -2.29 -0.23 0.00 0.04 0.00 0.00 34.50 32.03 2d8r s PRO 96 CO -0.03 -0.64 2.12 -1.54 0.04 0.00 0.00 177.00 176.95 2d8r s SER 97 N -1.48 3.37 0.56 6.66 1.04 -1.26 -4.86 113.70 117.74 2d8r s SER 97 Ca 0.66 -0.99 0.08 0.00 0.48 0.00 0.00 55.95 56.18 2d8r s SER 97 Cb -0.27 -2.60 0.07 0.00 0.10 0.00 0.00 66.02 63.32 2d8r s SER 97 CO 0.32 -4.84 0.62 -0.44 0.98 0.00 0.00 173.24 169.89 2d8r s SER 98 N 8.52 4.88 0.00 7.02 0.01 -1.26 -5.14 113.70 127.73 2d8r s SER 98 Ca 0.82 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2d8r s SER 98 Cb -0.05 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2d8r s SER 98 CO 0.19 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.20