#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 0.00 -0.03 1.61 7.64 -1.26 -5.06 113.62 116.53 2d8r n SER 2 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2d8r n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2d8r n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2d8r h SER 3 N 0.00 0.00 0.00 6.43 0.87 -2.05 -3.48 113.55 115.32 2d8r h SER 3 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2d8r h SER 3 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2d8r h SER 3 CO 0.00 0.27 0.00 0.61 -0.53 0.00 0.00 176.83 177.18 2d8r n GLY 4 N 1.71 2.71 0.23 5.77 0.00 -1.26 -4.86 105.19 109.49 2d8r n GLY 4 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2d8r n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d8r h SER 5 N 0.00 0.00 0.32 1.61 0.87 -2.07 -2.95 113.55 111.34 2d8r h SER 5 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 2d8r h SER 5 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2d8r h SER 5 CO 0.00 0.23 -1.86 -1.54 -0.53 0.00 0.00 176.83 173.13 2d8r n SER 6 N -3.53 0.40 0.00 6.23 3.41 -1.26 -5.08 113.62 113.80 2d8r n SER 6 Ca -0.01 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2d8r n SER 6 Cb 0.38 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 2d8r n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8r n GLY 7 N 1.48 -0.05 3.14 5.00 0.00 -1.12 -4.89 105.19 108.75 2d8r n GLY 7 Ca -0.16 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 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 0.74 0.15 1.61 1.00 -1.26 -4.91 119.30 116.63 2d8r s MET 8 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 55.69 54.43 2d8r s MET 8 Cb 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 34.83 34.17 2d8r s MET 8 CO 0.00 0.11 1.34 -1.25 0.00 0.00 0.00 175.02 175.22 2d8r s PRO 9 N -1.97 4.36 0.17 2.03 0.04 -1.26 -4.70 135.00 133.67 2d8r s PRO 9 Ca -0.02 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2d8r s PRO 9 Cb -0.08 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2d8r s PRO 9 CO 0.01 -0.34 0.00 2.41 0.04 0.00 0.00 177.00 179.12 2d8r n THR 10 N 3.36 -3.78 -3.86 1.26 -1.04 -1.26 -5.07 114.28 103.88 2d8r n THR 10 Ca 0.09 1.31 -0.12 0.00 -2.04 0.00 0.00 64.05 63.29 2d8r n THR 10 Cb 0.43 -2.36 -0.14 0.00 -1.82 0.00 0.00 70.33 66.45 2d8r n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2d8r s ASN 11 N -1.33 -0.03 0.03 8.00 2.20 -1.26 -4.87 114.94 117.67 2d8r s ASN 11 Ca 0.00 0.07 -0.38 0.00 -0.94 0.00 0.00 52.86 51.61 2d8r s ASN 11 Cb 0.00 0.08 -0.17 0.00 -2.00 0.00 0.00 41.25 39.16 2d8r s ASN 11 CO 0.00 -0.02 1.32 0.00 -2.94 0.00 0.00 177.10 175.46 2d8r h ALA 13 N 4.42 0.61 -0.89 0.00 0.00 -1.28 -3.45 119.26 118.66 2d8r h ALA 13 Ca -0.48 -0.43 -0.77 0.00 0.00 0.00 0.00 54.91 53.22 2d8r h ALA 13 Cb 1.36 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2d8r h ALA 13 CO 0.77 0.66 0.55 0.00 0.00 0.00 0.00 179.25 181.23 2d8r n ALA 14 N -2.53 -1.43 -2.52 0.00 0.00 -1.26 -4.79 120.51 107.97 2d8r n ALA 14 Ca -0.01 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 2d8r n ALA 14 Cb 0.51 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 2.39 2.71 0.00 0.00 0.00 -1.26 -3.55 121.76 122.04 2d8r s ALA 15 Ca 0.92 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2d8r s ALA 15 Cb -1.31 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 17.50 2d8r s ALA 15 CO 0.71 -3.39 0.00 0.41 0.00 0.00 0.00 175.76 173.49 2d8r n GLY 16 N 5.67 1.06 1.11 0.00 0.00 -1.26 -5.03 105.19 106.74 2d8r n GLY 16 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.08 -2.79 -3.65 0.00 0.00 -1.26 -5.12 120.51 105.61 2d8r n ALA 18 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2d8r n ALA 18 Cb 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 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 0.00 0.00 0.00 0.00 2.01 -1.26 -5.02 115.64 111.37 2d8r s THR 19 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2d8r s THR 19 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2d8r s THR 19 CO 0.00 0.00 0.00 0.35 -0.69 0.00 0.00 174.62 174.28 2d8r n THR 20 N 3.58 0.00 -4.27 -0.82 -2.24 -1.26 -3.72 114.28 105.55 2d8r n THR 20 Ca -0.18 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 2d8r n THR 20 Cb 0.57 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.70 2d8r n THR 20 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2d8r s TYR 21 N 0.00 1.38 0.00 4.78 6.14 -1.26 -4.89 117.35 123.50 2d8r s TYR 21 Ca 0.00 -0.71 0.00 0.00 0.64 0.00 0.00 57.07 57.00 2d8r s TYR 21 Cb 0.00 -0.68 0.00 0.00 0.42 0.00 0.00 41.96 41.70 2d8r s TYR 21 CO 0.00 0.15 0.00 -1.71 0.64 0.00 0.00 175.55 174.63 2d8r n ASN 22 N -0.21 0.00 -0.00 4.32 2.85 -1.26 -5.01 115.26 115.95 2d8r n ASN 22 Ca -0.10 -0.16 0.04 0.00 -0.11 0.00 0.00 54.58 54.25 2d8r n ASN 22 Cb 0.60 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.56 2d8r n ASN 22 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2d8r n LYS 23 N 0.00 0.28 -0.03 1.20 2.85 -1.26 -4.76 118.16 116.44 2d8r n LYS 23 Ca 0.00 -0.07 -0.05 0.00 -1.05 0.00 0.00 58.31 57.14 2d8r n LYS 23 Cb 0.00 -1.19 -0.02 0.00 -0.65 0.00 0.00 35.03 33.17 2d8r n LYS 23 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2d8r n HIS 24 N -1.78 0.00 0.00 5.58 1.44 -1.26 -4.84 115.22 114.36 2d8r n HIS 24 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2d8r n HIS 24 Cb 0.22 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.13 2d8r n HIS 24 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2d8r n ILE 25 N -2.90 0.00 -2.04 0.61 2.08 -1.26 -4.76 119.36 111.09 2d8r n ILE 25 Ca -0.10 1.16 -0.17 0.00 0.56 0.00 0.00 62.75 64.20 2d8r n ILE 25 Cb 0.59 -1.62 -0.03 0.00 -0.75 0.00 0.00 39.64 37.82 2d8r n ILE 25 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2d8r n ASN 26 N -1.92 -4.81 -4.77 4.38 5.03 -1.26 -4.91 115.26 107.01 2d8r n ASN 26 Ca 0.00 0.22 -0.40 0.00 0.87 0.00 0.00 54.58 55.27 2d8r n ASN 26 Cb 0.00 -4.15 0.00 0.00 -1.02 0.00 0.00 39.78 34.61 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2d8r s ILE 27 N -2.69 2.37 0.97 2.41 1.01 -1.26 -5.02 121.20 119.00 2d8r s ILE 27 Ca 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.82 2d8r s ILE 27 Cb 0.00 -3.20 0.23 0.00 0.01 0.00 0.00 42.46 39.50 2d8r s ILE 27 CO 0.00 0.06 1.27 -1.54 0.00 0.00 0.00 174.94 174.72 2d8r n SER 28 N 0.11 -0.12 -3.78 3.58 3.41 -1.26 -4.97 113.62 110.59 2d8r n SER 28 Ca 0.04 -1.43 -0.28 0.00 -0.26 0.00 0.00 58.87 56.93 2d8r n SER 28 Cb 0.42 -0.99 -0.16 0.00 -0.26 0.00 0.00 64.21 63.22 2d8r n SER 28 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2d8r s PHE 29 N -3.73 1.37 -0.40 7.33 -0.71 -1.26 -4.19 117.98 116.38 2d8r s PHE 29 Ca 0.73 -1.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.52 2d8r s PHE 29 Cb -0.02 -1.18 0.11 0.00 -1.21 0.00 0.00 43.02 40.72 2d8r s PHE 29 CO 0.51 -0.66 0.16 -1.01 -1.34 0.00 0.00 175.22 172.89 2d8r s HIS 30 N 1.74 3.62 1.23 3.49 3.76 -1.18 -4.97 115.29 122.98 2d8r s HIS 30 Ca -0.02 -2.72 -0.18 0.00 -0.15 0.00 0.00 55.06 51.99 2d8r s HIS 30 Cb -0.18 -3.08 0.26 0.00 1.11 0.00 0.00 32.58 30.69 2d8r s HIS 30 CO -0.08 -0.94 0.58 2.89 -0.85 0.00 0.00 174.74 176.34 2d8r n ARG 31 N 4.28 -3.12 -1.55 1.40 1.85 -1.26 -2.97 116.66 115.28 2d8r n ARG 31 Ca 0.01 -0.91 -0.33 0.00 -1.00 0.00 0.00 57.85 55.62 2d8r n ARG 31 Cb 0.41 -1.80 0.07 0.00 -1.05 0.00 0.00 32.46 30.09 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 -2.18 2.47 0.32 2.89 0.40 -1.26 -4.82 117.98 115.80 2d8r s PHE 32 Ca 0.57 1.57 -0.29 0.00 -0.60 0.00 0.00 56.93 58.19 2d8r s PHE 32 Cb -0.13 -3.20 -0.10 0.00 0.51 0.00 0.00 43.02 40.10 2d8r s PHE 32 CO 0.54 -1.91 1.22 -1.25 0.70 0.00 0.00 175.22 174.52 2d8r s PRO 33 N -4.25 4.42 0.52 0.24 0.04 -1.26 -4.93 135.00 129.77 2d8r s PRO 33 Ca 0.67 2.04 0.31 0.00 0.04 0.00 0.00 61.00 64.05 2d8r s PRO 33 Cb -0.21 -3.07 1.11 0.00 0.04 0.00 0.00 34.50 32.37 2d8r s PRO 33 CO 0.46 -0.07 1.89 -0.07 0.04 0.00 0.00 177.00 179.25 2d8r h LEU 34 N 3.44 0.00-10.02 -3.56 4.07 -1.94 -3.36 115.31 103.95 2d8r h LEU 34 Ca -0.48 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.02 2d8r h LEU 34 Cb 1.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 2d8r h LEU 34 CO 0.66 0.00 0.36 -0.62 -1.08 0.00 0.00 178.44 177.75 2d8r s ASP 35 N -5.77 6.91 0.01 -0.43 2.15 -1.26 -4.92 116.67 113.35 2d8r s ASP 35 Ca 0.03 1.79 -0.23 0.00 0.43 0.00 0.00 52.55 54.57 2d8r s ASP 35 Cb 0.08 -2.56 -0.18 0.00 -0.30 0.00 0.00 42.92 39.97 2d8r s ASP 35 CO 0.57 -0.38 1.30 1.55 -0.17 0.00 0.00 175.17 178.05 2d8r h PRO 36 N 2.17 0.16 -0.89 4.34 0.13 -1.98 0.40 132.00 136.34 2d8r h PRO 36 Ca -0.49 -0.09 0.22 0.00 -0.87 0.00 0.00 66.00 64.78 2d8r h PRO 36 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2d8r h PRO 36 CO 0.62 0.60 0.37 0.87 -0.23 0.00 0.00 178.00 180.23 2d8r h LYS 37 N -0.27 0.36 0.00 0.86 6.56 -1.97 -1.52 116.57 120.59 2d8r h LYS 37 Ca 0.01 -0.02 -0.13 0.00 -1.06 0.00 0.00 60.65 59.45 2d8r h LYS 37 Cb 0.57 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.13 2d8r h LYS 37 CO 0.02 0.24 -0.75 0.00 -2.06 0.00 0.00 179.45 176.89 2d8r h ARG 38 N 0.37 0.00 -0.83 3.15 2.47 -1.91 -3.27 114.38 114.36 2d8r h ARG 38 Ca 0.56 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 59.38 2d8r h ARG 38 Cb 1.07 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.27 2d8r h ARG 38 CO -0.54 0.79 -0.39 -2.13 0.56 0.00 0.00 179.97 178.25 2d8r n ARG 39 N -4.53 -0.27 0.01 0.04 0.63 0.14 0.22 116.66 112.90 2d8r n ARG 39 Ca -0.21 1.27 0.01 0.00 -0.92 0.00 0.00 57.85 58.01 2d8r n ARG 39 Cb 0.53 -1.88 0.35 0.00 0.45 0.00 0.00 32.46 31.91 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 0.51 0.77 -0.14 1.79 -1.47 -2.85 116.57 115.18 2d8r h LYS 40 Ca 0.22 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.58 2d8r h LYS 40 Cb 0.43 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2d8r h LYS 40 CO -0.81 0.47 -0.37 0.93 -1.08 0.00 0.00 179.45 178.59 2d8r h GLU 41 N 0.50 -1.00 -0.96 3.15 5.08 0.26 0.16 114.58 121.76 2d8r h GLU 41 Ca 0.12 0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.82 2d8r h GLU 41 Cb 0.19 0.23 -0.14 0.00 0.50 0.00 0.00 28.75 29.53 2d8r h GLU 41 CO -0.00 -0.65 0.49 -1.49 -1.00 0.00 0.00 179.01 176.35 2d8r h TRP 42 N -1.23 0.81 -0.00 4.33 4.06 -0.61 0.70 115.95 124.01 2d8r h TRP 42 Ca -0.11 0.04 -0.18 0.00 2.06 0.00 0.00 58.89 60.71 2d8r h TRP 42 Cb 0.81 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.75 2d8r h TRP 42 CO -0.00 -0.10 -0.81 0.28 -3.56 0.00 0.00 178.44 174.26 2d8r h VAL 43 N 0.39 1.51 0.00 1.49 2.07 -1.39 -2.29 116.25 118.02 2d8r h VAL 43 Ca 0.65 -2.57 -0.11 0.00 0.82 0.00 0.00 66.70 65.49 2d8r h VAL 43 Cb 1.35 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 2d8r h VAL 43 CO -0.57 0.74 -0.50 -0.09 0.02 0.00 0.00 177.57 177.17 2d8r h ARG 44 N 0.07 0.00 0.00 1.57 9.65 0.31 0.34 114.38 126.32 2d8r h ARG 44 Ca -0.02 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.74 2d8r h ARG 44 Cb 1.41 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.97 2d8r h ARG 44 CO 0.12 0.50 -0.91 -0.07 2.80 0.00 0.00 179.97 182.41 2d8r h LEU 45 N 0.00 0.00 0.00 3.80 3.38 0.02 -3.34 115.31 119.17 2d8r h LEU 45 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2d8r h LEU 45 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2d8r h LEU 45 CO 0.07 0.44 -2.04 0.55 0.09 0.00 0.00 178.44 177.54 2d8r n VAL 46 N -3.01 1.18 0.00 1.22 3.14 -0.87 -4.98 118.33 115.02 2d8r n VAL 46 Ca -0.03 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 60.59 2d8r n VAL 46 Cb 0.74 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 2d8r n VAL 46 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2d8r n ARG 47 N -2.75 0.00 -2.66 1.45 0.00 0.12 -4.57 116.66 108.25 2d8r n ARG 47 Ca -0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.52 2d8r n ARG 47 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.44 2d8r n ARG 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2d8r n ARG 48 N 0.00 -1.97 0.00 -0.14 1.74 -1.26 -4.23 116.66 110.80 2d8r n ARG 48 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2d8r n ARG 48 Cb 0.00 -3.56 0.00 0.00 -1.02 0.00 0.00 32.46 27.88 2d8r n ARG 48 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2d8r n LYS 49 N -2.38 0.00 -0.90 5.56 4.76 -1.26 -3.33 118.16 120.61 2d8r n LYS 49 Ca 0.03 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 2d8r n LYS 49 Cb 0.38 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.45 2d8r n LYS 49 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2d8r n ASN 50 N -1.95 5.03 -4.91 4.39 5.15 -1.26 -4.89 115.26 116.81 2d8r n ASN 50 Ca 0.00 -2.36 -0.27 0.00 -0.60 0.00 0.00 54.58 51.36 2d8r n ASN 50 Cb 0.00 -1.24 -0.00 0.00 -0.53 0.00 0.00 39.78 38.01 2d8r n ASN 50 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2d8r s PHE 51 N 1.57 3.55 -0.06 1.20 5.36 -1.21 -5.11 117.98 123.28 2d8r s PHE 51 Ca 0.57 0.70 -0.14 0.00 -0.96 0.00 0.00 56.93 57.10 2d8r s PHE 51 Cb 0.25 -2.20 0.03 0.00 -0.34 0.00 0.00 43.02 40.75 2d8r s PHE 51 CO -0.01 -0.18 0.33 0.08 -1.46 0.00 0.00 175.22 173.98 2d8r s VAL 52 N -2.64 0.04 -1.05 3.12 1.01 -1.26 -5.03 120.40 114.59 2d8r s VAL 52 Ca 0.46 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 2d8r s VAL 52 Cb -0.10 -0.57 -0.07 0.00 0.00 0.00 0.00 36.38 35.64 2d8r s VAL 52 CO 0.43 -0.17 1.94 -2.16 0.00 0.00 0.00 175.10 175.14 2d8r s PRO 53 N -0.78 2.52 0.09 2.72 0.04 -1.26 -4.46 135.00 133.87 2d8r s PRO 53 Ca -0.09 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.21 2d8r s PRO 53 Cb -0.04 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.34 2d8r s PRO 53 CO 0.03 -3.69 0.00 0.41 0.04 0.00 0.00 177.00 173.79 2d8r n GLY 54 N 6.32 -0.08 0.00 0.56 0.00 -1.26 -5.07 105.19 105.66 2d8r n GLY 54 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.20 0.43 -1.52 1.61 4.76 -1.26 -4.87 118.16 114.12 2d8r n LYS 55 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 2d8r n LYS 55 Cb 0.15 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.24 2d8r n LYS 55 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2d8r n HIS 56 N -1.56 0.85 -4.46 2.13 1.44 -1.26 -4.84 115.22 107.52 2d8r n HIS 56 Ca 0.00 -0.09 -0.27 0.00 -2.01 0.00 0.00 57.72 55.34 2d8r n HIS 56 Cb 0.00 -2.32 -0.17 0.00 0.12 0.00 0.00 29.99 27.62 2d8r n HIS 56 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2d8r s THR 57 N 14.28 1.35 0.25 0.61 2.01 -1.26 -4.34 115.64 128.54 2d8r s THR 57 Ca 0.80 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 2d8r s THR 57 Cb -0.11 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 2d8r s THR 57 CO 0.16 0.41 0.29 0.72 -0.69 0.00 0.00 174.62 175.51 2d8r s PHE 58 N 0.95 1.01 -0.03 4.92 -0.71 -1.26 -4.25 117.98 118.61 2d8r s PHE 58 Ca -0.08 -1.23 0.03 0.00 -1.04 0.00 0.00 56.93 54.61 2d8r s PHE 58 Cb -0.15 -0.31 0.00 0.00 -1.21 0.00 0.00 43.02 41.35 2d8r s PHE 58 CO -0.00 -0.84 -0.12 -0.51 -1.34 0.00 0.00 175.22 172.42 2d8r s LEU 59 N -3.16 1.82 1.01 -1.99 1.43 -1.16 -0.69 118.68 115.94 2d8r s LEU 59 Ca 0.34 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2d8r s LEU 59 Cb 0.03 -0.68 0.17 0.00 0.03 0.00 0.00 46.19 45.74 2d8r s LEU 59 CO 0.14 0.09 0.92 0.00 0.23 0.00 0.00 176.35 177.73 2d8r n SER 61 N -3.83 1.10 0.11 0.00 2.88 -1.26 -3.95 113.62 108.67 2d8r n SER 61 Ca 0.08 -0.90 -0.03 0.00 -1.33 0.00 0.00 58.87 56.69 2d8r n SER 61 Cb 0.53 0.23 0.11 0.00 -0.75 0.00 0.00 64.21 64.34 2d8r n SER 61 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2d8r h LYS 62 N 1.19 0.06 0.23 -1.46 2.10 -1.94 -3.27 116.57 113.47 2d8r h LYS 62 Ca 0.00 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2d8r h LYS 62 Cb 0.54 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2d8r h LYS 62 CO 0.00 0.72 -0.11 0.45 -2.00 0.00 0.00 179.45 178.51 2d8r h HIS 63 N 0.04 -0.28 -3.23 0.07 3.86 -1.86 -3.45 115.15 110.30 2d8r h HIS 63 Ca -0.01 -0.01 -0.36 0.00 -1.16 0.00 0.00 60.37 58.83 2d8r h HIS 63 Cb 1.20 0.09 0.18 0.00 1.06 0.00 0.00 27.41 29.95 2d8r h HIS 63 CO 0.01 -0.08 0.13 1.19 0.86 0.00 0.00 177.93 180.03 2d8r n PHE 64 N -5.16 -3.83 0.00 2.45 3.01 -1.23 -4.00 117.46 108.69 2d8r n PHE 64 Ca -0.09 -0.92 0.00 0.00 1.01 0.00 0.00 57.45 57.45 2d8r n PHE 64 Cb 0.19 -1.03 0.00 0.00 -0.01 0.00 0.00 39.48 38.62 2d8r n PHE 64 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2d8r n GLU 65 N -4.48 0.00 0.00 -1.08 -0.58 -1.26 -5.02 120.64 108.22 2d8r n GLU 65 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2d8r n GLU 65 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 2d8r n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8r n ALA 66 N -3.00 0.39 0.04 0.62 0.00 -1.26 -4.88 120.51 112.42 2d8r n ALA 66 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 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 -1.66 0.06 -0.53 0.00 7.64 -1.26 -0.15 113.62 117.72 2d8r n SER 67 Ca 0.00 0.53 0.14 0.00 1.01 0.00 0.00 58.87 60.54 2d8r n SER 67 Cb 0.00 -0.53 0.48 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.30 -0.18 -3.26 0.00 3.01 0.79 -0.54 117.46 117.57 2d8r n PHE 69 Ca 0.18 -1.92 -0.44 0.00 1.01 0.00 0.00 57.45 56.29 2d8r n PHE 69 Cb 0.38 -0.33 -0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2d8r n PHE 69 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2d8r n ASP 70 N -1.66 5.69 0.03 4.37 2.03 0.38 -4.68 116.55 122.72 2d8r n ASP 70 Ca -0.07 -3.16 -0.22 0.00 0.52 0.00 0.00 54.79 51.86 2d8r n ASP 70 Cb 0.51 -1.32 -0.14 0.00 -0.72 0.00 0.00 41.12 39.44 2d8r n ASP 70 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2d8r h LEU 71 N 6.23 0.47 -8.01 -2.67 -0.00 -1.78 -3.27 115.31 106.28 2d8r h LEU 71 Ca 0.18 -0.89 -0.49 0.00 -0.00 0.00 0.00 57.88 56.69 2d8r h LEU 71 Cb 0.79 -0.15 -0.09 0.00 -0.00 0.00 0.00 40.66 41.21 2d8r h LEU 71 CO 1.10 1.68 1.77 1.07 -0.00 0.00 0.00 178.44 184.06 2d8r n THR 72 N -3.81 -0.00 -3.66 0.22 5.66 -1.26 -2.02 114.28 109.41 2d8r n THR 72 Ca -0.25 -0.04 -0.25 0.00 -3.05 0.00 0.00 64.05 60.47 2d8r n THR 72 Cb 0.96 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 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 6.44 -0.89 0.00 1.09 0.00 -1.26 -4.91 105.19 105.66 2d8r n GLY 73 Ca 0.66 0.40 0.00 0.00 0.00 0.00 0.00 46.02 47.08 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 -2.77 0.00 -1.43 1.61 1.13 -0.85 -5.14 117.38 109.92 2d8r n GLN 74 Ca -0.20 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.41 2d8r n GLN 74 Cb 0.50 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.83 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 -0.44 1.75 -1.77 5.09 5.66 -1.26 -4.00 114.28 119.31 2d8r n THR 75 Ca 0.00 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.18 2d8r n THR 75 Cb 0.00 -0.30 -0.04 0.00 -1.55 0.00 0.00 70.33 68.45 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 -1.22 2.24 -0.13 1.09 3.52 -1.23 -4.40 118.95 118.82 2d8r s ARG 76 Ca 0.62 0.80 0.01 0.00 -0.13 0.00 0.00 55.73 57.04 2d8r s ARG 76 Cb -0.78 -4.61 -0.01 0.00 -1.56 0.00 0.00 34.95 27.99 2d8r s ARG 76 CO 0.58 -3.31 -0.17 1.03 -0.81 0.00 0.00 175.30 172.62 2d8r s ARG 77 N 7.83 3.23 -0.18 5.12 0.52 -1.25 -4.76 118.95 129.48 2d8r s ARG 77 Ca 0.84 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.99 2d8r s ARG 77 Cb -0.14 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.76 2d8r s ARG 77 CO 0.18 0.16 2.18 -0.11 0.02 0.00 0.00 175.30 177.72 2d8r n LEU 78 N 3.65 3.39 -4.67 2.53 -0.00 -1.26 0.14 117.00 120.79 2d8r n LEU 78 Ca -0.19 0.34 -0.45 0.00 -0.00 0.00 0.00 56.01 55.71 2d8r n LEU 78 Cb 0.53 -1.54 -0.03 0.00 -0.00 0.00 0.00 43.42 42.38 2d8r n LEU 78 CO 0.29 -0.53 1.03 0.29 -0.00 0.00 0.00 177.39 178.48 2d8r n LYS 79 N 8.50 2.01 0.26 1.96 5.02 0.30 -4.82 118.16 131.39 2d8r n LYS 79 Ca 0.28 0.72 0.16 0.00 -2.02 0.00 0.00 58.31 57.45 2d8r n LYS 79 Cb 0.43 -2.39 0.86 0.00 -0.02 0.00 0.00 35.03 33.92 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 4.43 0.00 -0.38 1.97 2.86 -1.90 0.10 114.93 122.01 2d8r h MET 80 Ca -0.45 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.03 2d8r h MET 80 Cb 1.28 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.84 2d8r h MET 80 CO 0.77 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.49 2d8r n ASP 81 N -2.65 2.93 -4.50 1.22 8.00 -1.26 -4.67 116.55 115.61 2d8r n ASP 81 Ca -0.02 -3.57 -0.35 0.00 0.71 0.00 0.00 54.79 51.55 2d8r n ASP 81 Cb 0.11 -0.63 -0.12 0.00 -0.02 0.00 0.00 41.12 40.46 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 -3.15 3.15 0.13 2.24 0.00 0.35 -5.06 121.76 119.43 2d8r s ALA 82 Ca 0.45 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.55 2d8r s ALA 82 Cb 0.40 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 2d8r s ALA 82 CO 0.03 -0.11 -0.12 0.14 0.00 0.00 0.00 175.76 175.70 2d8r s VAL 83 N 0.92 3.19 -1.07 0.00 -7.23 -1.26 -4.90 120.40 110.05 2d8r s VAL 83 Ca 0.02 -1.46 -0.23 0.00 -1.81 0.00 0.00 61.98 58.50 2d8r s VAL 83 Cb -0.14 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 2d8r s VAL 83 CO 0.02 0.03 1.94 -2.16 -0.31 0.00 0.00 175.10 174.62 2d8r s PRO 84 N -2.42 2.52 -0.18 4.82 0.04 -1.26 -4.79 135.00 133.74 2d8r s PRO 84 Ca 0.22 -0.83 -0.00 0.00 0.04 0.00 0.00 61.00 60.43 2d8r s PRO 84 Cb -0.10 -5.17 0.14 0.00 0.04 0.00 0.00 34.50 29.41 2d8r s PRO 84 CO 0.13 -3.74 1.88 0.25 0.04 0.00 0.00 177.00 175.56 2d8r n THR 85 N 7.83 2.32 0.00 1.26 -2.24 -1.26 -4.28 114.28 117.92 2d8r n THR 85 Ca 0.43 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2d8r n THR 85 Cb 0.47 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 2d8r n THR 85 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2d8r n ILE 86 N 0.66 0.00 -2.98 2.28 5.41 -1.26 -5.10 119.36 118.36 2d8r n ILE 86 Ca 0.18 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.83 2d8r n ILE 86 Cb 0.60 -0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.54 2d8r n ILE 86 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2d8r n PHE 87 N -2.50 -3.02 -4.48 1.39 3.72 -1.26 -5.03 117.46 106.28 2d8r n PHE 87 Ca 0.00 1.27 -0.23 0.00 -0.05 0.00 0.00 57.45 58.45 2d8r n PHE 87 Cb 0.00 -3.21 -0.14 0.00 -0.94 0.00 0.00 39.48 35.19 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 -1.89 2.04 0.00 4.37 1.11 -1.26 -5.01 116.67 116.03 2d8r s ASP 88 Ca 0.17 -0.49 0.11 0.00 0.18 0.00 0.00 52.55 52.53 2d8r s ASP 88 Cb -0.03 -0.15 0.50 0.00 1.07 0.00 0.00 42.92 44.31 2d8r s ASP 88 CO 0.69 0.09 1.35 0.33 1.18 0.00 0.00 175.17 178.81 2d8r n PHE 89 N 1.87 0.00 -3.74 4.23 7.35 -1.26 -4.71 117.46 121.20 2d8r n PHE 89 Ca -0.18 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.39 2d8r n PHE 89 Cb 0.54 -0.47 -0.08 0.00 0.35 0.00 0.00 39.48 39.83 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2d8r s THR 91 N -1.99 0.75 -0.30 0.00 2.01 -1.26 -5.02 115.64 109.83 2d8r s THR 91 Ca -0.09 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 61.83 2d8r s THR 91 Cb -0.03 -0.83 0.20 0.00 0.01 0.00 0.00 72.50 71.85 2d8r s THR 91 CO 0.00 0.32 0.66 -2.28 -0.69 0.00 0.00 174.62 172.63 2d8r s HIS 92 N 1.78 -1.66 -0.01 4.92 5.04 -1.26 -5.00 115.29 119.10 2d8r s HIS 92 Ca 0.04 0.89 0.02 0.00 -1.54 0.00 0.00 55.06 54.47 2d8r s HIS 92 Cb -0.12 0.29 0.03 0.00 0.04 0.00 0.00 32.58 32.81 2d8r s HIS 92 CO -0.07 -0.99 0.81 1.51 -2.34 0.00 0.00 174.74 173.67 2d8r n ILE 93 N 5.25 0.29 -3.65 0.89 3.06 -1.26 -5.09 119.36 118.85 2d8r n ILE 93 Ca 0.06 -0.33 -0.09 0.00 -2.50 0.00 0.00 62.75 59.89 2d8r n ILE 93 Cb 0.55 0.63 -0.02 0.00 0.54 0.00 0.00 39.64 41.34 2d8r n ILE 93 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2d8r s SER 94 N -0.79 -0.38 0.58 9.51 0.15 -1.26 -5.18 113.70 116.34 2d8r s SER 94 Ca 0.03 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2d8r s SER 94 Cb 0.03 0.62 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 2d8r s SER 94 CO 0.00 -1.08 0.82 -0.83 1.20 0.00 0.00 173.24 173.35 2d8r s GLY 95 N -2.82 1.81 0.41 9.45 0.00 -1.26 -5.00 107.32 109.91 2d8r s GLY 95 Ca 0.07 -1.32 0.20 0.00 0.00 0.00 0.00 44.72 43.67 2d8r s GLY 95 CO -0.03 -1.00 1.83 -0.56 0.00 0.00 0.00 173.10 173.34 2d8r h PRO 96 N -0.05 0.00 -6.89 2.90 0.13 -2.03 -3.46 132.00 122.61 2d8r h PRO 96 Ca -0.42 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.16 2d8r h PRO 96 Cb 1.30 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.61 2d8r h PRO 96 CO 0.52 0.31 -0.09 0.43 -0.23 0.00 0.00 178.00 178.93 2d8r n SER 97 N -3.64 -0.26 -4.31 1.44 7.64 -1.26 -4.85 113.62 108.38 2d8r n SER 97 Ca -0.01 0.58 -0.43 0.00 1.01 0.00 0.00 58.87 60.02 2d8r n SER 97 Cb 0.43 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2d8r n SER 97 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d8r n SER 98 N -1.55 4.84 0.00 6.43 7.64 -1.26 -5.18 113.62 124.54 2d8r n SER 98 Ca 0.11 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 57.05 2d8r n SER 98 Cb 0.50 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64