#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8r s SER 2 N 0.00 -1.11 -1.96 1.61 1.04 -1.26 -4.90 113.70 107.12 2d8r s SER 2 Ca 0.00 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2d8r s SER 2 Cb 0.00 2.01 0.00 0.00 0.10 0.00 0.00 66.02 68.13 2d8r s SER 2 CO 0.00 -0.26 0.00 -1.20 0.98 0.00 0.00 173.24 172.76 2d8r n SER 3 N 5.42 -5.28 0.00 7.02 7.64 -1.26 -4.69 113.62 122.47 2d8r n SER 3 Ca -0.02 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2d8r n SER 3 Cb 0.51 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 2d8r n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8r n GLY 4 N -0.70 -3.12 0.00 0.23 0.00 -1.26 -4.83 105.19 95.52 2d8r n GLY 4 Ca -0.19 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.16 4.48 -2.71 1.61 7.64 -1.26 -4.94 113.62 118.28 2d8r n SER 5 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2d8r n SER 5 Cb 0.00 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 2d8r n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d8r n SER 6 N -1.76 -5.03 0.00 6.43 3.41 -1.26 -4.55 113.62 110.85 2d8r n SER 6 Ca -0.02 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2d8r n SER 6 Cb 0.25 -4.17 0.00 0.00 -0.26 0.00 0.00 64.21 60.03 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 -1.10 -0.19 3.20 5.00 0.00 -1.26 -5.13 105.19 105.70 2d8r n GLY 7 Ca -0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 0.93 0.66 1.61 -1.94 -1.26 -5.15 119.30 114.15 2d8r s MET 8 Ca 0.00 -1.33 -0.15 0.00 -1.71 0.00 0.00 55.69 52.50 2d8r s MET 8 Cb 0.00 -0.47 0.00 0.00 2.01 0.00 0.00 34.83 36.37 2d8r s MET 8 CO 0.00 0.05 1.11 -1.25 -0.01 0.00 0.00 175.02 174.92 2d8r s PRO 9 N -3.50 2.79 0.11 2.03 0.04 -1.26 -5.07 135.00 130.14 2d8r s PRO 9 Ca 0.12 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2d8r s PRO 9 Cb 0.02 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2d8r s PRO 9 CO -0.01 -1.26 0.00 0.99 0.04 0.00 0.00 177.00 176.76 2d8r s THR 10 N -2.35 0.35 0.53 1.26 2.01 -1.26 -5.16 115.64 111.02 2d8r s THR 10 Ca 0.67 -1.90 0.02 0.00 0.31 0.00 0.00 61.69 60.78 2d8r s THR 10 Cb -0.20 -1.86 0.10 0.00 0.01 0.00 0.00 72.50 70.55 2d8r s THR 10 CO 0.42 -0.68 0.73 -0.46 -0.69 0.00 0.00 174.62 173.93 2d8r n ASN 11 N -0.06 1.17 -4.73 3.53 6.94 -1.26 -4.81 115.26 116.04 2d8r n ASN 11 Ca -0.09 -1.94 -0.41 0.00 -0.02 0.00 0.00 54.58 52.11 2d8r n ASN 11 Cb 0.62 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 37.55 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 5.59 1.71 -1.72 0.00 0.00 -1.61 -3.41 119.26 119.83 2d8r h ALA 13 Ca -0.43 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 53.83 2d8r h ALA 13 Cb 1.21 -0.17 0.11 0.00 0.00 0.00 0.00 17.79 18.94 2d8r h ALA 13 CO 0.72 0.25 -0.08 0.00 0.00 0.00 0.00 179.25 180.15 2d8r n ALA 14 N -2.47 -1.00 0.89 0.00 0.00 -1.26 -4.85 120.51 111.81 2d8r n ALA 14 Ca 0.04 0.39 0.13 0.00 0.00 0.00 0.00 53.44 54.00 2d8r n ALA 14 Cb 0.09 -1.90 0.56 0.00 0.00 0.00 0.00 19.45 18.20 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 0.09 2.23 -3.17 0.00 0.00 -1.26 -4.02 120.51 114.37 2d8r n ALA 15 Ca 0.12 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 2d8r n ALA 15 Cb 0.31 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 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 1.27 3.97 2.03 0.00 0.00 -1.26 -4.90 105.19 106.29 2d8r n GLY 16 Ca 0.06 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.64 -0.74 -1.89 0.00 0.00 -1.26 -4.97 120.51 109.01 2d8r n ALA 18 Ca 0.00 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 2d8r n ALA 18 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 19.45 16.25 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 -3.04 3.36 0.00 0.00 2.01 -1.26 -4.75 115.64 111.96 2d8r s THR 19 Ca 0.26 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.51 2d8r s THR 19 Cb -0.11 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.60 2d8r s THR 19 CO 0.32 0.25 0.00 0.35 -0.69 0.00 0.00 174.62 174.85 2d8r n THR 20 N 1.74 0.00 -3.85 -0.82 -2.24 -1.26 -2.42 114.28 105.43 2d8r n THR 20 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 2d8r n THR 20 Cb 0.44 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.55 2d8r n THR 20 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2d8r s TYR 21 N -0.49 -0.03 0.00 4.78 1.51 -1.26 -5.04 117.35 116.82 2d8r s TYR 21 Ca 0.00 0.02 0.10 0.00 -1.01 0.00 0.00 57.07 56.18 2d8r s TYR 21 Cb 0.00 -0.01 0.16 0.00 -0.11 0.00 0.00 41.96 42.00 2d8r s TYR 21 CO 0.00 -0.26 1.00 0.09 -1.11 0.00 0.00 175.55 175.26 2d8r n ASN 22 N 1.71 0.23 0.00 2.29 4.13 -1.26 -5.06 115.26 117.29 2d8r n ASN 22 Ca -0.21 -1.87 0.00 0.00 1.68 0.00 0.00 54.58 54.19 2d8r n ASN 22 Cb 0.56 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 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 0.19 0.00 0.15 3.52 4.81 -1.26 -3.50 118.16 122.06 2d8r n LYS 23 Ca -0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 2d8r n LYS 23 Cb 0.84 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.86 2d8r n LYS 23 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2d8r h HIS 24 N 0.00 -0.36 -0.84 5.64 3.86 -2.05 -3.44 115.15 117.96 2d8r h HIS 24 Ca 0.00 -0.01 -0.62 0.00 -1.16 0.00 0.00 60.37 58.58 2d8r h HIS 24 Cb 0.00 0.12 0.06 0.00 1.06 0.00 0.00 27.41 28.66 2d8r h HIS 24 CO 0.00 -0.22 -0.17 1.51 0.86 0.00 0.00 177.93 179.91 2d8r n ILE 25 N -3.05 0.76 -2.07 2.45 3.06 -1.23 -4.88 119.36 114.40 2d8r n ILE 25 Ca -0.05 -0.19 -0.05 0.00 -2.50 0.00 0.00 62.75 59.97 2d8r n ILE 25 Cb 0.15 0.00 0.09 0.00 0.54 0.00 0.00 39.64 40.43 2d8r n ILE 25 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2d8r n ASN 26 N 1.45 2.56 -4.36 9.51 4.05 -1.26 -4.59 115.26 122.63 2d8r n ASN 26 Ca 0.16 -3.24 -0.45 0.00 0.45 0.00 0.00 54.58 51.50 2d8r n ASN 26 Cb 0.13 -0.42 -0.01 0.00 1.23 0.00 0.00 39.78 40.70 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 2d8r n ILE 27 N -0.63 1.32 -3.52 -1.44 5.41 -1.26 -4.93 119.36 114.31 2d8r n ILE 27 Ca 0.23 -0.50 -0.35 0.00 1.00 0.00 0.00 62.75 63.12 2d8r n ILE 27 Cb 0.87 -0.06 -0.06 0.00 -0.71 0.00 0.00 39.64 39.69 2d8r n ILE 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2d8r s SER 28 N -0.99 6.71 -0.40 4.38 0.01 -1.26 -4.99 113.70 117.17 2d8r s SER 28 Ca 0.62 0.88 -0.17 0.00 1.31 0.00 0.00 55.95 58.59 2d8r s SER 28 Cb -0.76 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 63.27 2d8r s SER 28 CO 0.60 0.19 0.41 0.72 0.41 0.00 0.00 173.24 175.57 2d8r s PHE 29 N -1.35 3.18 -0.42 2.43 -0.71 -1.26 -3.67 117.98 116.19 2d8r s PHE 29 Ca 0.32 -0.26 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 2d8r s PHE 29 Cb -0.15 -2.82 0.11 0.00 -1.21 0.00 0.00 43.02 38.96 2d8r s PHE 29 CO 0.17 -0.62 0.18 -1.01 -1.34 0.00 0.00 175.22 172.61 2d8r s HIS 30 N 2.10 3.60 1.18 3.49 3.76 -1.22 -4.98 115.29 123.21 2d8r s HIS 30 Ca 0.12 -2.73 -0.17 0.00 -0.15 0.00 0.00 55.06 52.12 2d8r s HIS 30 Cb -0.17 -3.08 0.23 0.00 1.11 0.00 0.00 32.58 30.67 2d8r s HIS 30 CO 0.13 -0.93 0.48 2.89 -0.85 0.00 0.00 174.74 176.46 2d8r n ARG 31 N 4.21 -2.94 -1.62 1.40 1.85 -1.26 -3.31 116.66 115.00 2d8r n ARG 31 Ca 0.02 -0.87 -0.32 0.00 -1.00 0.00 0.00 57.85 55.68 2d8r n ARG 31 Cb 0.40 -1.70 0.06 0.00 -1.05 0.00 0.00 32.46 30.18 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 -2.14 2.62 0.31 2.89 0.40 -1.26 -4.84 117.98 115.97 2d8r s PHE 32 Ca 0.51 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 58.10 2d8r s PHE 32 Cb -0.10 -3.13 -0.10 0.00 0.51 0.00 0.00 43.02 40.20 2d8r s PHE 32 CO 0.48 -1.71 1.22 -1.25 0.70 0.00 0.00 175.22 174.67 2d8r s PRO 33 N -4.34 4.46 0.23 0.24 0.04 -1.26 -4.92 135.00 129.45 2d8r s PRO 33 Ca 0.65 2.05 0.24 0.00 0.04 0.00 0.00 61.00 63.98 2d8r s PRO 33 Cb -0.19 -3.11 0.93 0.00 0.04 0.00 0.00 34.50 32.16 2d8r s PRO 33 CO 0.46 -0.03 1.72 1.28 0.04 0.00 0.00 177.00 180.47 2d8r n LEU 34 N 0.94 0.67 -4.82 -3.56 7.99 -1.26 -4.11 117.00 112.84 2d8r n LEU 34 Ca -0.00 0.63 -0.34 0.00 -0.01 0.00 0.00 56.01 56.29 2d8r n LEU 34 Cb 0.43 -0.50 -0.06 0.00 -0.11 0.00 0.00 43.42 43.17 2d8r n LEU 34 CO 0.57 -0.43 0.52 -0.62 -1.51 0.00 0.00 177.39 175.92 2d8r s ASP 35 N -4.24 6.97 0.09 -1.43 2.15 -1.26 -4.94 116.67 114.01 2d8r s ASP 35 Ca 0.06 1.51 -0.15 0.00 0.43 0.00 0.00 52.55 54.40 2d8r s ASP 35 Cb 0.10 -2.46 -0.09 0.00 -0.30 0.00 0.00 42.92 40.17 2d8r s ASP 35 CO 0.45 -0.17 1.41 1.55 -0.17 0.00 0.00 175.17 178.23 2d8r h PRO 36 N 2.56 0.67 -0.58 4.34 0.13 -1.98 0.36 132.00 137.51 2d8r h PRO 36 Ca -0.48 -0.36 0.11 0.00 -0.87 0.00 0.00 66.00 64.40 2d8r h PRO 36 Cb 1.18 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2d8r h PRO 36 CO 0.64 0.97 0.12 0.87 -0.23 0.00 0.00 178.00 180.37 2d8r h LYS 37 N 0.41 0.25 0.01 0.86 6.56 -1.96 -1.80 116.57 120.89 2d8r h LYS 37 Ca 0.04 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.53 2d8r h LYS 37 Cb 0.85 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.44 2d8r h LYS 37 CO 0.07 0.16 -0.49 0.00 -2.06 0.00 0.00 179.45 177.13 2d8r h ARG 38 N 0.25 0.02 -0.93 3.15 2.47 -1.90 -3.27 114.38 114.16 2d8r h ARG 38 Ca 0.30 -0.03 0.14 0.00 -1.26 0.00 0.00 59.98 59.13 2d8r h ARG 38 Cb 0.44 0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 28.62 2d8r h ARG 38 CO -0.39 1.01 -0.38 -2.13 0.56 0.00 0.00 179.97 178.65 2d8r n ARG 39 N -4.52 -0.24 -0.04 0.04 0.63 0.13 0.18 116.66 112.84 2d8r n ARG 39 Ca -0.18 1.43 0.02 0.00 -0.92 0.00 0.00 57.85 58.20 2d8r n ARG 39 Cb 0.57 -2.12 0.35 0.00 0.45 0.00 0.00 32.46 31.71 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 0.62 0.38 -0.14 1.57 -1.49 -3.07 116.57 114.45 2d8r h LYS 40 Ca 0.31 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2d8r h LYS 40 Cb 0.54 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2d8r h LYS 40 CO -0.92 0.48 -0.18 0.93 -0.57 0.00 0.00 179.45 179.19 2d8r h GLU 41 N 0.63 -0.49 -1.16 3.15 4.39 0.19 -1.35 114.58 119.94 2d8r h GLU 41 Ca 0.16 0.03 0.34 0.00 0.34 0.00 0.00 59.36 60.23 2d8r h GLU 41 Cb 0.06 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 2d8r h GLU 41 CO -0.02 -0.33 1.20 0.91 -1.16 0.00 0.00 179.01 179.61 2d8r n TRP 42 N -4.12 0.00 0.02 4.33 7.02 0.98 0.22 117.44 125.89 2d8r n TRP 42 Ca -0.06 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.21 2d8r n TRP 42 Cb 0.20 -0.29 -0.14 0.00 -2.42 0.00 0.00 31.31 28.66 2d8r n TRP 42 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2d8r h VAL 43 N 0.00 0.69 -0.35 -0.99 2.07 -1.44 -3.22 116.25 113.01 2d8r h VAL 43 Ca 0.55 -2.39 -0.12 0.00 0.82 0.00 0.00 66.70 65.56 2d8r h VAL 43 Cb 2.94 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 35.24 2d8r h VAL 43 CO -0.01 0.88 -0.27 -0.09 0.02 0.00 0.00 177.57 178.10 2d8r h ARG 44 N 0.07 0.73 0.43 1.57 9.65 0.39 -2.79 114.38 124.42 2d8r h ARG 44 Ca -0.40 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.15 2d8r h ARG 44 Cb 2.04 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.60 2d8r h ARG 44 CO 0.10 0.92 -0.20 -0.07 2.80 0.00 0.00 179.97 183.51 2d8r h LEU 45 N 0.63 -0.48 -1.53 3.80 3.38 -0.79 -2.80 115.31 117.52 2d8r h LEU 45 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2d8r h LEU 45 Cb 0.78 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2d8r h LEU 45 CO 0.06 -0.12 0.18 1.62 0.09 0.00 0.00 178.44 180.27 2d8r h VAL 46 N -0.91 0.00 -6.45 1.22 3.04 -1.59 -3.46 116.25 108.10 2d8r h VAL 46 Ca -0.06 0.00 -0.36 0.00 -1.01 0.00 0.00 66.70 65.27 2d8r h VAL 46 Cb 0.56 0.51 0.01 0.00 -2.01 0.00 0.00 31.29 30.37 2d8r h VAL 46 CO 0.10 0.00 -1.11 0.54 -1.01 0.00 0.00 177.57 176.08 2d8r n ARG 47 N -2.40 -1.91 -0.00 4.17 5.12 -1.06 -4.31 116.66 116.26 2d8r n ARG 47 Ca -0.02 1.40 0.04 0.00 -1.93 0.00 0.00 57.85 57.35 2d8r n ARG 47 Cb 0.21 -2.49 -0.05 0.00 -1.16 0.00 0.00 32.46 28.98 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 -0.56 3.83 -1.87 5.56 5.12 -1.26 -4.80 116.66 122.68 2d8r n ARG 48 Ca -0.10 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2d8r n ARG 48 Cb 0.66 -0.92 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 2d8r n ARG 48 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2d8r n LYS 49 N -1.27 -5.22 -4.04 5.56 5.02 -1.26 -4.55 118.16 112.40 2d8r n LYS 49 Ca 0.01 3.75 -0.35 0.00 -2.02 0.00 0.00 58.31 59.70 2d8r n LYS 49 Cb 0.13 -4.12 -0.02 0.00 -0.02 0.00 0.00 35.03 31.01 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 0.73 -1.84 -4.04 4.39 5.15 -1.26 -4.93 115.26 113.46 2d8r n ASN 50 Ca 0.00 -1.10 -0.11 0.00 -0.60 0.00 0.00 54.58 52.77 2d8r n ASN 50 Cb 0.00 -1.34 -0.11 0.00 -0.53 0.00 0.00 39.78 37.80 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 -3.92 0.49 -0.19 1.20 2.19 -1.26 -5.16 117.98 111.33 2d8r s PHE 51 Ca 0.26 -0.59 -0.28 0.00 0.33 0.00 0.00 56.93 56.66 2d8r s PHE 51 Cb -0.15 -0.32 0.09 0.00 -1.31 0.00 0.00 43.02 41.34 2d8r s PHE 51 CO 0.84 -0.16 0.83 0.08 1.83 0.00 0.00 175.22 178.64 2d8r s VAL 52 N -1.78 0.00 1.15 3.12 1.01 -1.26 -4.99 120.40 117.66 2d8r s VAL 52 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 2d8r s VAL 52 Cb -0.07 -1.00 0.26 0.00 0.00 0.00 0.00 36.38 35.57 2d8r s VAL 52 CO -0.01 0.00 1.11 -2.16 0.00 0.00 0.00 175.10 174.03 2d8r s PRO 53 N -0.34 -0.82 0.00 2.72 0.04 -1.26 -4.96 135.00 130.37 2d8r s PRO 53 Ca -0.03 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2d8r s PRO 53 Cb -0.03 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2d8r s PRO 53 CO 0.02 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 173.99 2d8r n GLY 54 N -1.00 0.00 0.00 0.56 0.00 -1.26 -5.06 105.19 98.43 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 1.17 0.00 0.00 0.00 173.32 174.49 2d8r n LYS 55 N 0.00 0.00 0.00 1.61 4.81 -1.26 -4.99 118.16 118.33 2d8r n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2d8r n LYS 55 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2d8r n LYS 55 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2d8r n HIS 56 N -0.14 0.00 -1.48 5.64 1.44 -1.26 -5.06 115.22 114.35 2d8r n HIS 56 Ca 0.00 0.00 -0.58 0.00 -2.01 0.00 0.00 57.72 55.13 2d8r n HIS 56 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2d8r n HIS 56 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2d8r n THR 57 N -0.48 0.00 -3.97 0.61 -1.04 -1.26 -4.92 114.28 103.22 2d8r n THR 57 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2d8r n THR 57 Cb 0.02 -0.33 -0.07 0.00 -1.82 0.00 0.00 70.33 68.14 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 1.96 0.41 -0.01 -1.42 -0.12 -1.26 -4.03 117.98 113.51 2d8r s PHE 58 Ca 0.89 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 2d8r s PHE 58 Cb -1.27 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 41.09 2d8r s PHE 58 CO 0.66 -0.77 -0.10 -0.51 -0.05 0.00 0.00 175.22 174.46 2d8r s LEU 59 N -2.98 2.02 0.74 -1.99 1.43 -1.21 -1.37 118.68 115.32 2d8r s LEU 59 Ca 0.19 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 2d8r s LEU 59 Cb 0.03 -0.51 0.04 0.00 0.03 0.00 0.00 46.19 45.78 2d8r s LEU 59 CO 0.02 0.12 1.16 0.00 0.23 0.00 0.00 176.35 177.88 2d8r h SER 61 N -0.48 0.00 -0.94 0.00 0.02 -1.94 -3.34 113.55 106.86 2d8r h SER 61 Ca -0.46 -0.17 0.07 0.00 -0.84 0.00 0.00 61.79 60.39 2d8r h SER 61 Cb 1.27 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 2d8r h SER 61 CO 0.50 0.08 0.61 0.07 -1.14 0.00 0.00 176.83 176.95 2d8r h LYS 62 N 0.00 1.03 -0.32 3.45 2.10 -1.92 -2.16 116.57 118.76 2d8r h LYS 62 Ca 0.00 -0.06 -0.08 0.00 -2.00 0.00 0.00 60.65 58.51 2d8r h LYS 62 Cb 0.77 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2d8r h LYS 62 CO 0.00 0.68 -0.11 0.45 -2.00 0.00 0.00 179.45 178.47 2d8r h HIS 63 N 1.06 0.73 -3.64 0.07 3.86 -1.98 -3.45 115.15 111.80 2d8r h HIS 63 Ca 0.41 -0.17 -0.47 0.00 -1.16 0.00 0.00 60.37 58.98 2d8r h HIS 63 Cb 0.23 -0.17 0.21 0.00 1.06 0.00 0.00 27.41 28.73 2d8r h HIS 63 CO -0.00 0.84 0.09 -0.06 0.86 0.00 0.00 177.93 179.66 2d8r s PHE 64 N -4.69 1.44 -0.75 2.45 0.40 -0.81 -4.34 117.98 111.67 2d8r s PHE 64 Ca -0.13 1.42 0.25 0.00 -0.60 0.00 0.00 56.93 57.87 2d8r s PHE 64 Cb 0.09 -3.19 0.46 0.00 0.51 0.00 0.00 43.02 40.89 2d8r s PHE 64 CO 0.80 -3.49 1.41 0.39 0.70 0.00 0.00 175.22 175.02 2d8r n GLU 65 N -4.68 0.20 -0.05 0.44 -0.58 -1.26 -4.92 120.64 109.79 2d8r n GLU 65 Ca 0.06 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2d8r n GLU 65 Cb 0.53 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 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 -1.73 0.00 1.92 0.62 0.00 -1.26 -4.80 120.51 115.26 2d8r n ALA 66 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.62 2d8r n ALA 66 Cb 0.41 -0.07 0.81 0.00 0.00 0.00 0.00 19.45 20.60 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 0.22 -0.82 0.00 2.88 -1.26 -2.93 113.62 111.71 2d8r n SER 67 Ca 0.00 -1.16 0.11 0.00 -1.33 0.00 0.00 58.87 56.49 2d8r n SER 67 Cb 0.00 -0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.84 1.39 -0.33 0.00 0.40 -1.15 -1.62 117.98 114.84 2d8r s PHE 69 Ca 0.24 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.77 2d8r s PHE 69 Cb 0.18 -4.03 0.09 0.00 0.51 0.00 0.00 43.02 39.76 2d8r s PHE 69 CO 0.29 -2.64 0.03 0.34 0.70 0.00 0.00 175.22 173.94 2d8r s ASP 70 N -4.92 4.75 0.00 1.36 2.15 0.48 -4.73 116.67 115.76 2d8r s ASP 70 Ca 0.75 -1.98 0.00 0.00 0.43 0.00 0.00 52.55 51.75 2d8r s ASP 70 Cb -0.03 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.96 2d8r s ASP 70 CO 0.52 -0.35 0.00 0.00 -0.17 0.00 0.00 175.17 175.17 2d8r n LEU 71 N 4.32 0.00 -2.95 -1.34 -0.00 -1.22 -3.02 117.00 112.79 2d8r n LEU 71 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2d8r n LEU 71 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 2d8r n LEU 71 CO 0.23 0.00 -0.04 1.07 -0.00 0.00 0.00 177.39 178.65 2d8r n THR 72 N 0.00 0.00 0.00 1.47 5.66 -1.26 -1.35 114.28 118.80 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 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 -0.62 3.34 0.00 1.09 0.00 -1.26 -5.12 105.19 102.62 2d8r n GLY 73 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.46 0.00 1.61 7.27 -0.46 -5.09 117.38 121.17 2d8r n GLN 74 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2d8r n GLN 74 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2d8r n GLN 74 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2d8r n THR 75 N -1.47 0.00 -3.68 1.69 5.66 -1.26 -4.56 114.28 110.65 2d8r n THR 75 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 2d8r n THR 75 Cb 0.00 -0.55 -0.11 0.00 -1.55 0.00 0.00 70.33 68.12 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 -1.67 2.45 -0.14 1.09 6.06 -1.26 -3.46 118.95 122.03 2d8r s ARG 76 Ca 0.00 -1.51 0.02 0.00 -2.50 0.00 0.00 55.73 51.74 2d8r s ARG 76 Cb 0.00 -3.66 0.00 0.00 0.06 0.00 0.00 34.95 31.36 2d8r s ARG 76 CO 0.00 -0.93 -0.19 1.03 -2.50 0.00 0.00 175.30 172.71 2d8r s ARG 77 N 1.34 3.11 -0.06 5.12 0.52 -1.17 -4.82 118.95 122.99 2d8r s ARG 77 Ca 0.03 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 2d8r s ARG 77 Cb -0.22 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 2d8r s ARG 77 CO 0.00 0.01 1.56 -1.17 0.02 0.00 0.00 175.30 175.72 2d8r s LEU 78 N 0.79 4.30 0.04 2.53 1.98 -1.26 0.18 118.68 127.23 2d8r s LEU 78 Ca -0.07 2.14 -0.30 0.00 -2.89 0.00 0.00 54.13 53.00 2d8r s LEU 78 Cb -0.16 -3.54 -0.06 0.00 0.66 0.00 0.00 46.19 43.10 2d8r s LEU 78 CO -0.01 -0.88 1.35 -0.54 -1.89 0.00 0.00 176.35 174.39 2d8r s LYS 79 N 3.73 4.32 0.34 1.98 1.02 -0.64 -4.87 119.74 125.63 2d8r s LYS 79 Ca 0.69 1.94 0.18 0.00 0.02 0.00 0.00 55.97 58.80 2d8r s LYS 79 Cb -0.31 -3.45 1.00 0.00 -0.52 0.00 0.00 37.83 34.55 2d8r s LYS 79 CO 0.27 -0.48 1.52 0.00 -0.92 0.00 0.00 175.35 175.74 2d8r h MET 80 N 7.37 0.00 -0.38 1.68 -0.00 -1.93 0.51 114.93 122.19 2d8r h MET 80 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.31 2d8r h MET 80 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 2d8r h MET 80 CO 0.88 0.00 0.00 -0.40 -0.00 0.00 0.00 176.91 177.39 2d8r n ASP 81 N -2.20 2.11 -4.91 -0.10 5.75 -1.26 -4.77 116.55 111.18 2d8r n ASP 81 Ca -0.01 -1.97 -0.25 0.00 -0.01 0.00 0.00 54.79 52.55 2d8r n ASP 81 Cb 0.17 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2d8r s ALA 82 N -1.50 3.85 0.02 2.12 0.00 0.18 -5.07 121.76 121.37 2d8r s ALA 82 Ca 0.27 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2d8r s ALA 82 Cb 0.14 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2d8r s ALA 82 CO 0.19 0.46 0.02 0.14 0.00 0.00 0.00 175.76 176.58 2d8r s VAL 83 N -1.81 0.11 -1.05 0.00 -7.23 -1.26 -4.94 120.40 104.22 2d8r s VAL 83 Ca 0.34 -0.93 -0.23 0.00 -1.81 0.00 0.00 61.98 59.35 2d8r s VAL 83 Cb -0.10 -0.44 -0.11 0.00 0.56 0.00 0.00 36.38 36.28 2d8r s VAL 83 CO 0.27 -0.51 1.92 -0.81 -0.31 0.00 0.00 175.10 175.67 2d8r n PRO 84 N 1.39 1.55 -0.98 4.82 -0.04 -1.26 -4.76 135.00 135.72 2d8r n PRO 84 Ca -0.23 -2.27 -0.17 0.00 -0.04 0.00 0.00 63.50 60.79 2d8r n PRO 84 Cb 0.56 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 2d8r n PRO 84 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2d8r n THR 85 N 7.28 2.82 0.00 0.52 -2.24 -1.26 -4.32 114.28 117.08 2d8r n THR 85 Ca 0.46 -1.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 2d8r n THR 85 Cb 0.45 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 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 0.72 0.00 -3.58 2.28 -0.00 -1.26 -5.03 119.36 112.49 2d8r n ILE 86 Ca 0.32 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.88 2d8r n ILE 86 Cb 0.59 -0.01 0.00 0.00 -0.00 0.00 0.00 39.64 40.21 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 -2.01 -2.34 -1.69 1.39 3.72 -1.26 -4.52 117.46 110.76 2d8r n PHE 87 Ca 0.00 0.94 0.00 0.00 -0.05 0.00 0.00 57.45 58.34 2d8r n PHE 87 Cb 0.00 -3.12 0.00 0.00 -0.94 0.00 0.00 39.48 35.42 2d8r n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2d8r n ASP 88 N -2.29 -7.94 -4.74 4.37 -0.08 -1.26 -4.91 116.55 99.70 2d8r n ASP 88 Ca -0.22 1.13 -0.36 0.00 -1.51 0.00 0.00 54.79 53.83 2d8r n ASP 88 Cb 0.64 -4.21 0.06 0.00 2.34 0.00 0.00 41.12 39.94 2d8r n ASP 88 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2d8r s PHE 89 N -1.03 2.21 0.39 -0.67 0.08 -1.26 -5.04 117.98 112.66 2d8r s PHE 89 Ca 0.00 1.52 0.03 0.00 0.12 0.00 0.00 56.93 58.61 2d8r s PHE 89 Cb 0.00 -3.56 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 2d8r s PHE 89 CO 0.00 -2.55 0.09 0.00 -0.10 0.00 0.00 175.22 172.66 2d8r n THR 91 N -0.87 -8.92 -2.74 0.00 -1.04 -1.26 -4.67 114.28 94.78 2d8r n THR 91 Ca -0.06 1.87 -0.00 0.00 -2.04 0.00 0.00 64.05 63.81 2d8r n THR 91 Cb 0.66 -5.18 -0.00 0.00 -1.82 0.00 0.00 70.33 63.99 2d8r n THR 91 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2d8r n HIS 92 N 2.01 -3.88 -1.80 -1.42 8.25 -1.26 -4.89 115.22 112.23 2d8r n HIS 92 Ca -0.28 1.74 -0.41 0.00 -0.26 0.00 0.00 57.72 58.51 2d8r n HIS 92 Cb 0.44 -3.90 0.00 0.00 1.12 0.00 0.00 29.99 27.65 2d8r n HIS 92 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2d8r s ILE 93 N -1.58 2.06 0.00 1.59 2.07 -1.26 -4.91 121.20 119.17 2d8r s ILE 93 Ca -0.01 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 2d8r s ILE 93 Cb 0.00 -3.04 0.00 0.00 0.13 0.00 0.00 42.46 39.55 2d8r s ILE 93 CO 0.76 0.01 0.36 -1.20 -1.91 0.00 0.00 174.94 172.96 2d8r n SER 94 N 0.29 0.36 -0.31 4.50 7.64 -1.26 -5.14 113.62 119.70 2d8r n SER 94 Ca 0.02 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2d8r n SER 94 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2d8r n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8r n GLY 95 N -0.06 -1.60 3.77 0.23 0.00 -1.26 -4.87 105.19 101.41 2d8r n GLY 95 Ca 0.00 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 3.01 -0.58 1.61 0.04 -1.26 -4.95 135.00 132.87 2d8r s PRO 96 Ca 0.00 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 2d8r s PRO 96 Cb 0.00 -1.97 0.27 0.00 0.04 0.00 0.00 34.50 32.83 2d8r s PRO 96 CO 0.00 -1.09 2.24 0.43 0.04 0.00 0.00 177.00 178.61 2d8r n SER 97 N -1.99 7.07 -4.79 6.66 7.64 -1.26 -4.96 113.62 121.98 2d8r n SER 97 Ca 0.11 -3.49 -0.38 0.00 1.01 0.00 0.00 58.87 56.11 2d8r n SER 97 Cb 0.52 -1.09 -0.06 0.00 -1.01 0.00 0.00 64.21 62.57 2d8r n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8r s SER 98 N -0.60 6.89 0.00 6.43 0.15 -1.26 -5.29 113.70 120.02 2d8r s SER 98 Ca 0.53 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.24 2d8r s SER 98 Cb 0.40 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2d8r s SER 98 CO -0.18 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.08