#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 -7.87 -4.82 1.61 2.88 -1.26 -4.96 113.62 99.20 2d8r n SER 2 Ca 0.00 1.21 -0.34 0.00 -1.33 0.00 0.00 58.87 58.40 2d8r n SER 2 Cb 0.00 -4.41 -0.06 0.00 -0.75 0.00 0.00 64.21 58.99 2d8r n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8r s SER 3 N -0.44 7.00 0.45 -3.46 0.01 -1.26 -4.97 113.70 111.03 2d8r s SER 3 Ca 0.00 1.53 0.21 0.00 1.31 0.00 0.00 55.95 59.00 2d8r s SER 3 Cb 0.00 -2.47 1.06 0.00 0.21 0.00 0.00 66.02 64.83 2d8r s SER 3 CO 0.00 -0.16 1.93 1.23 0.41 0.00 0.00 173.24 176.65 2d8r h GLY 4 N 2.63 0.00 -1.91 3.44 0.00 -1.98 -3.46 103.07 101.79 2d8r h GLY 4 Ca -0.48 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.57 2d8r h GLY 4 CO 0.64 0.00 -0.28 -1.35 0.00 0.00 0.00 176.54 175.55 2d8r s SER 5 N -6.49 0.83 -0.24 0.19 1.04 -1.26 -5.11 113.70 102.65 2d8r s SER 5 Ca -0.02 -1.45 -0.29 0.00 0.48 0.00 0.00 55.95 54.67 2d8r s SER 5 Cb 0.13 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.83 2d8r s SER 5 CO 0.65 -1.18 1.68 -0.55 0.98 0.00 0.00 173.24 174.82 2d8r s SER 6 N -3.22 6.24 0.00 7.02 0.15 -1.26 -4.89 113.70 117.73 2d8r s SER 6 Ca 0.32 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.54 2d8r s SER 6 Cb 0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2d8r s SER 6 CO 0.19 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2d8r n GLY 7 N 4.89 -0.04 3.37 9.45 0.00 -1.26 -5.18 105.19 116.41 2d8r n GLY 7 Ca 0.20 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 1.08 0.21 1.61 0.23 -1.26 -5.00 119.30 114.17 2d8r s MET 8 Ca 0.00 -0.44 -0.30 0.00 -1.03 0.00 0.00 55.69 53.92 2d8r s MET 8 Cb 0.00 0.49 -0.09 0.00 -1.53 0.00 0.00 34.83 33.70 2d8r s MET 8 CO 0.00 -0.41 1.30 -1.25 -2.03 0.00 0.00 175.02 172.62 2d8r s PRO 9 N -3.11 4.40 0.00 3.16 0.04 -1.26 -4.93 135.00 133.30 2d8r s PRO 9 Ca -0.02 2.05 0.21 0.00 0.04 0.00 0.00 61.00 63.28 2d8r s PRO 9 Cb 0.00 -3.19 0.22 0.00 0.04 0.00 0.00 34.50 31.58 2d8r s PRO 9 CO -0.07 -0.22 1.20 2.41 0.04 0.00 0.00 177.00 180.36 2d8r n THR 10 N 2.46 0.15 -1.38 1.26 -1.04 -1.26 -5.09 114.28 109.38 2d8r n THR 10 Ca 0.05 -0.57 0.18 0.00 -2.04 0.00 0.00 64.05 61.67 2d8r n THR 10 Cb 0.43 1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 70.17 2d8r n THR 10 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2d8r n ASN 11 N 1.20 -8.31 -3.76 8.00 3.02 -1.26 -4.68 115.26 109.48 2d8r n ASN 11 Ca 0.14 0.97 -0.53 0.00 -0.03 0.00 0.00 54.58 55.12 2d8r n ASN 11 Cb 0.53 -4.46 -0.08 0.00 -0.61 0.00 0.00 39.78 35.16 2d8r n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8r h ALA 13 N 3.74 1.40 -0.91 0.00 0.00 -1.61 -3.34 119.26 118.54 2d8r h ALA 13 Ca -0.36 -0.07 -0.49 0.00 0.00 0.00 0.00 54.91 53.99 2d8r h ALA 13 Cb 1.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2d8r h ALA 13 CO 0.74 0.09 1.67 0.00 0.00 0.00 0.00 179.25 181.75 2d8r n ALA 14 N -2.30 0.60 -1.47 0.00 0.00 -1.26 -4.79 120.51 111.29 2d8r n ALA 14 Ca -0.02 -0.61 -0.49 0.00 0.00 0.00 0.00 53.44 52.32 2d8r n ALA 14 Cb 0.17 -2.78 -0.07 0.00 0.00 0.00 0.00 19.45 16.78 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 13.29 1.13 0.00 0.00 0.00 -1.26 -2.02 120.51 131.65 2d8r n ALA 15 Ca 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2d8r n ALA 15 Cb 0.31 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 6.43 1.55 0.70 0.00 0.00 -1.26 -5.03 105.19 107.58 2d8r n GLY 16 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.52 -2.71 -3.35 0.00 0.00 -1.25 -5.00 120.51 106.67 2d8r n ALA 18 Ca 0.00 0.47 -0.24 0.00 0.00 0.00 0.00 53.44 53.68 2d8r n ALA 18 Cb 0.00 -1.81 -0.16 0.00 0.00 0.00 0.00 19.45 17.48 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 -2.29 1.08 0.00 0.00 2.01 -1.26 -4.77 115.64 110.41 2d8r s THR 19 Ca 0.10 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2d8r s THR 19 Cb -0.03 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.50 2d8r s THR 19 CO 0.45 0.34 0.00 0.35 -0.69 0.00 0.00 174.62 175.07 2d8r n THR 20 N 3.68 0.00 -4.88 -0.82 -2.24 -1.26 -2.14 114.28 106.62 2d8r n THR 20 Ca -0.22 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 2d8r n THR 20 Cb 0.52 -0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.73 0.18 4.78 5.04 -1.26 -4.99 117.35 122.84 2d8r s TYR 21 Ca 0.00 -0.34 0.10 0.00 -2.44 0.00 0.00 57.07 54.39 2d8r s TYR 21 Cb 0.00 -1.10 -0.04 0.00 0.35 0.00 0.00 41.96 41.17 2d8r s TYR 21 CO 0.00 -0.01 -0.15 -0.80 -1.34 0.00 0.00 175.55 173.26 2d8r s ASN 22 N -0.59 3.97 -0.01 4.32 -0.87 -1.26 -5.03 114.94 115.48 2d8r s ASN 22 Ca 0.07 -0.67 0.18 0.00 -1.57 0.00 0.00 52.86 50.87 2d8r s ASN 22 Cb -0.08 -0.56 -0.22 0.00 -0.02 0.00 0.00 41.25 40.37 2d8r s ASN 22 CO -0.00 0.11 0.64 1.17 -2.57 0.00 0.00 177.10 176.45 2d8r n LYS 23 N 0.13 0.98 -0.08 -0.60 4.81 -1.26 -4.59 118.16 117.56 2d8r n LYS 23 Ca -0.11 -0.05 -0.13 0.00 -0.87 0.00 0.00 58.31 57.14 2d8r n LYS 23 Cb 0.56 -1.36 -0.07 0.00 0.02 0.00 0.00 35.03 34.18 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 -1.64 0.00 -0.00 5.64 8.25 -1.26 -5.03 115.22 121.18 2d8r n HIS 24 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2d8r n HIS 24 Cb 0.34 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.86 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 -3.24 0.00 -1.82 1.59 5.41 -1.26 -5.06 119.36 114.99 2d8r n ILE 25 Ca -0.29 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.44 2d8r n ILE 25 Cb 0.76 -0.61 -0.02 0.00 -0.71 0.00 0.00 39.64 39.06 2d8r n ILE 25 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2d8r n ASN 26 N 0.00 -0.35 -4.54 4.38 4.13 -1.26 -4.91 115.26 112.71 2d8r n ASN 26 Ca 0.00 -1.11 -0.45 0.00 1.68 0.00 0.00 54.58 54.70 2d8r n ASN 26 Cb 0.00 0.11 -0.02 0.00 -1.54 0.00 0.00 39.78 38.33 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2d8r n ILE 27 N 0.00 1.99 -3.99 2.41 5.41 -1.26 -4.96 119.36 118.96 2d8r n ILE 27 Ca -0.10 -0.50 -0.34 0.00 1.00 0.00 0.00 62.75 62.81 2d8r n ILE 27 Cb 0.48 -0.74 -0.06 0.00 -0.71 0.00 0.00 39.64 38.61 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 -0.69 6.08 -0.40 4.38 0.01 -1.26 -4.95 113.70 116.86 2d8r s SER 28 Ca 0.60 0.31 -0.24 0.00 1.31 0.00 0.00 55.95 57.92 2d8r s SER 28 Cb -0.74 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2d8r s SER 28 CO 0.59 0.32 0.85 0.72 0.41 0.00 0.00 173.24 176.12 2d8r s PHE 29 N -1.17 3.04 -0.52 2.43 -0.12 -1.26 -3.65 117.98 116.73 2d8r s PHE 29 Ca 0.21 0.49 -0.03 0.00 -0.05 0.00 0.00 56.93 57.55 2d8r s PHE 29 Cb -0.12 -3.64 0.14 0.00 -0.63 0.00 0.00 43.02 38.77 2d8r s PHE 29 CO 0.12 -0.89 0.33 -1.01 -0.05 0.00 0.00 175.22 173.72 2d8r s HIS 30 N 3.37 3.50 0.88 3.49 0.09 -1.19 -4.98 115.29 120.45 2d8r s HIS 30 Ca 0.34 -2.53 -0.13 0.00 -0.00 0.00 0.00 55.06 52.74 2d8r s HIS 30 Cb -0.12 -3.23 0.20 0.00 -0.00 0.00 0.00 32.58 29.43 2d8r s HIS 30 CO 0.21 -0.91 0.45 2.89 -0.00 0.00 0.00 174.74 177.37 2d8r n ARG 31 N 4.08 -2.24 -2.48 1.40 1.85 -1.26 -3.26 116.66 114.74 2d8r n ARG 31 Ca 0.02 -0.75 -0.32 0.00 -1.00 0.00 0.00 57.85 55.80 2d8r n ARG 31 Cb 0.40 -1.22 -0.04 0.00 -1.05 0.00 0.00 32.46 30.54 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 -1.72 3.40 0.51 2.89 0.40 -1.26 -4.82 117.98 117.38 2d8r s PHE 32 Ca 0.35 1.50 -0.21 0.00 -0.60 0.00 0.00 56.93 57.97 2d8r s PHE 32 Cb -0.06 -2.82 -0.06 0.00 0.51 0.00 0.00 43.02 40.59 2d8r s PHE 32 CO 0.29 -0.34 1.14 -1.25 0.70 0.00 0.00 175.22 175.76 2d8r s PRO 33 N -3.86 3.51 0.00 0.24 0.04 -1.26 -4.94 135.00 128.72 2d8r s PRO 33 Ca 0.60 1.66 0.28 0.00 0.04 0.00 0.00 61.00 63.58 2d8r s PRO 33 Cb -0.10 -2.15 1.07 0.00 0.04 0.00 0.00 34.50 33.36 2d8r s PRO 33 CO 0.27 -0.73 1.81 1.28 0.04 0.00 0.00 177.00 179.67 2d8r n LEU 34 N -1.00 0.13 -4.82 -3.56 7.99 -1.26 -4.25 117.00 110.23 2d8r n LEU 34 Ca 0.10 0.36 -0.36 0.00 -0.01 0.00 0.00 56.01 56.10 2d8r n LEU 34 Cb 0.50 -0.42 -0.06 0.00 -0.11 0.00 0.00 43.42 43.32 2d8r n LEU 34 CO 0.44 0.03 0.41 -0.62 -1.51 0.00 0.00 177.39 176.14 2d8r s ASP 35 N -2.97 7.01 0.31 -1.43 2.15 -1.26 -4.95 116.67 115.52 2d8r s ASP 35 Ca 0.14 1.38 0.09 0.00 0.43 0.00 0.00 52.55 54.59 2d8r s ASP 35 Cb 0.19 -2.40 0.48 0.00 -0.30 0.00 0.00 42.92 40.89 2d8r s ASP 35 CO 0.57 0.01 1.70 1.55 -0.17 0.00 0.00 175.17 178.82 2d8r h PRO 36 N 3.29 0.10 -0.54 4.34 0.13 -1.98 0.39 132.00 137.73 2d8r h PRO 36 Ca -0.48 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 2d8r h PRO 36 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2d8r h PRO 36 CO 0.65 0.56 0.11 0.87 -0.23 0.00 0.00 178.00 179.96 2d8r h LYS 37 N 0.08 0.87 0.01 0.86 6.56 -1.97 -2.98 116.57 120.00 2d8r h LYS 37 Ca 0.00 -0.22 -0.19 0.00 -1.06 0.00 0.00 60.65 59.17 2d8r h LYS 37 Cb 0.88 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.41 2d8r h LYS 37 CO 0.07 0.84 -1.05 0.00 -2.06 0.00 0.00 179.45 177.24 2d8r h ARG 38 N 0.77 0.03 -0.93 3.15 2.47 -1.92 -3.31 114.38 114.64 2d8r h ARG 38 Ca 0.17 -0.05 0.18 0.00 -1.26 0.00 0.00 59.98 59.02 2d8r h ARG 38 Cb 0.37 0.02 -0.17 0.00 -1.65 0.00 0.00 29.97 28.53 2d8r h ARG 38 CO 0.01 1.02 -0.24 -2.13 0.56 0.00 0.00 179.97 179.19 2d8r n ARG 39 N -4.40 -0.09 -0.03 0.04 0.63 0.14 0.21 116.66 113.16 2d8r n ARG 39 Ca -0.27 1.45 -0.02 0.00 -0.92 0.00 0.00 57.85 58.08 2d8r n ARG 39 Cb 0.67 -2.16 0.23 0.00 0.45 0.00 0.00 32.46 31.65 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 0.58 0.51 -0.14 1.57 -1.70 -3.07 116.57 114.33 2d8r h LYS 40 Ca 0.44 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2d8r h LYS 40 Cb 0.67 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.92 2d8r h LYS 40 CO -0.95 0.67 -0.25 0.93 -0.57 0.00 0.00 179.45 179.28 2d8r h GLU 41 N 0.54 -0.66 -1.30 3.15 3.07 0.23 0.45 114.58 120.06 2d8r h GLU 41 Ca 0.10 0.05 0.47 0.00 -0.50 0.00 0.00 59.36 59.47 2d8r h GLU 41 Cb 0.48 0.15 -0.15 0.00 -0.84 0.00 0.00 28.75 28.39 2d8r h GLU 41 CO 0.03 -0.44 0.81 -1.49 -1.40 0.00 0.00 179.01 176.52 2d8r h TRP 42 N -0.90 0.58 0.05 4.33 4.06 -0.84 1.46 115.95 124.69 2d8r h TRP 42 Ca -0.07 0.03 -0.29 0.00 2.06 0.00 0.00 58.89 60.62 2d8r h TRP 42 Cb 0.53 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 2d8r h TRP 42 CO 0.05 -0.33 -1.55 0.28 -3.56 0.00 0.00 178.44 173.33 2d8r h VAL 43 N 0.01 1.08 0.00 1.49 2.07 -1.45 -2.96 116.25 116.49 2d8r h VAL 43 Ca 0.88 -2.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.56 2d8r h VAL 43 Cb 2.71 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 35.09 2d8r h VAL 43 CO -0.53 0.72 -0.03 -0.09 0.02 0.00 0.00 177.57 177.66 2d8r h ARG 44 N 0.03 0.00 0.00 1.57 9.65 0.65 -3.15 114.38 123.13 2d8r h ARG 44 Ca -0.23 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.50 2d8r h ARG 44 Cb 1.97 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.53 2d8r h ARG 44 CO 0.12 0.03 -0.88 -0.07 2.80 0.00 0.00 179.97 181.97 2d8r h LEU 45 N 0.00 0.00 -1.65 3.80 3.38 0.15 -3.34 115.31 117.65 2d8r h LEU 45 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2d8r h LEU 45 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2d8r h LEU 45 CO 0.00 1.22 0.45 1.62 0.09 0.00 0.00 178.44 181.83 2d8r h VAL 46 N -1.00 0.00 -4.92 1.22 3.04 -1.58 -3.45 116.25 109.55 2d8r h VAL 46 Ca -0.21 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 2d8r h VAL 46 Cb 1.03 0.55 0.02 0.00 -2.01 0.00 0.00 31.29 30.87 2d8r h VAL 46 CO -0.13 0.00 -0.08 0.54 -1.01 0.00 0.00 177.57 176.89 2d8r n ARG 47 N -2.82 -1.15 -3.54 4.17 1.74 -1.19 -4.14 116.66 109.73 2d8r n ARG 47 Ca -0.02 1.24 -0.29 0.00 -0.77 0.00 0.00 57.85 58.02 2d8r n ARG 47 Cb 0.49 -4.96 -0.14 0.00 -1.02 0.00 0.00 32.46 26.83 2d8r n ARG 47 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2d8r s ARG 48 N -3.12 0.44 0.36 5.56 0.52 -1.24 -4.85 118.95 116.62 2d8r s ARG 48 Ca 0.04 -0.98 -0.26 0.00 -0.52 0.00 0.00 55.73 54.02 2d8r s ARG 48 Cb -0.01 -1.36 -0.09 0.00 0.52 0.00 0.00 34.95 34.02 2d8r s ARG 48 CO 0.61 -1.10 1.06 -1.59 0.02 0.00 0.00 175.30 174.30 2d8r s LYS 49 N 1.55 4.31 -0.90 3.54 -2.85 -1.26 -3.42 119.74 120.71 2d8r s LYS 49 Ca 0.13 1.60 -0.01 0.00 -1.00 0.00 0.00 55.97 56.69 2d8r s LYS 49 Cb -0.19 -2.74 0.00 0.00 -2.06 0.00 0.00 37.83 32.84 2d8r s LYS 49 CO -0.19 -0.03 0.09 0.09 0.10 0.00 0.00 175.35 175.41 2d8r n ASN 50 N 0.31 -3.68 -4.02 0.03 4.13 -1.26 -5.02 115.26 105.75 2d8r n ASN 50 Ca 0.03 -0.05 -0.20 0.00 1.68 0.00 0.00 54.58 56.04 2d8r n ASN 50 Cb 0.48 -2.82 -0.15 0.00 -1.54 0.00 0.00 39.78 35.75 2d8r n ASN 50 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2d8r s PHE 51 N -2.64 0.90 0.02 3.10 5.36 -1.22 -5.15 117.98 118.35 2d8r s PHE 51 Ca 0.05 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 2d8r s PHE 51 Cb -0.02 -0.61 -0.02 0.00 -0.34 0.00 0.00 43.02 42.04 2d8r s PHE 51 CO 0.06 -0.05 -0.11 0.08 -1.46 0.00 0.00 175.22 173.74 2d8r s VAL 52 N -0.05 0.83 0.49 3.12 1.01 -1.26 -5.03 120.40 119.51 2d8r s VAL 52 Ca 0.01 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 2d8r s VAL 52 Cb -0.06 -0.76 -0.07 0.00 0.00 0.00 0.00 36.38 35.49 2d8r s VAL 52 CO -0.00 -0.00 1.15 -2.16 0.00 0.00 0.00 175.10 174.09 2d8r s PRO 53 N -0.88 3.62 0.00 2.72 0.04 -1.26 -4.94 135.00 134.31 2d8r s PRO 53 Ca -0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2d8r s PRO 53 Cb -0.07 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2d8r s PRO 53 CO 0.01 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2d8r n GLY 54 N 0.34 -0.41 3.28 0.56 0.00 -1.26 -5.13 105.19 102.57 2d8r n GLY 54 Ca 0.09 0.49 -0.27 0.00 0.00 0.00 0.00 46.02 46.33 2d8r n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8r s LYS 55 N 0.74 1.52 0.00 1.61 -0.14 -1.26 -4.80 119.74 117.41 2d8r s LYS 55 Ca 0.00 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.62 2d8r s LYS 55 Cb 0.00 -1.65 0.00 0.00 -1.68 0.00 0.00 37.83 34.50 2d8r s LYS 55 CO 0.00 0.42 0.00 0.72 -0.76 0.00 0.00 175.35 175.73 2d8r n HIS 56 N 1.82 0.00 -1.30 3.18 8.25 -1.26 -4.93 115.22 120.99 2d8r n HIS 56 Ca -0.17 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.75 2d8r n HIS 56 Cb 0.53 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 2d8r n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2d8r n THR 57 N 0.00 0.00 -4.12 1.59 -1.04 -1.26 -4.90 114.28 104.55 2d8r n THR 57 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2d8r n THR 57 Cb 0.00 -0.42 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 2d8r n THR 57 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2d8r s PHE 58 N 3.48 0.83 0.02 -1.42 -0.12 -1.26 -4.19 117.98 115.33 2d8r s PHE 58 Ca 0.92 -1.11 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 2d8r s PHE 58 Cb -1.25 -0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 40.87 2d8r s PHE 58 CO 0.63 -0.79 -0.12 -0.51 -0.05 0.00 0.00 175.22 174.39 2d8r s LEU 59 N -3.10 2.13 0.61 -1.99 1.43 -1.20 -1.71 118.68 114.84 2d8r s LEU 59 Ca 0.32 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.88 2d8r s LEU 59 Cb 0.04 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 2d8r s LEU 59 CO 0.11 0.03 1.16 0.00 0.23 0.00 0.00 176.35 177.88 2d8r h SER 61 N 0.60 0.00 -0.97 0.00 4.64 -1.94 -3.32 113.55 112.56 2d8r h SER 61 Ca -0.49 -0.04 0.08 0.00 -0.47 0.00 0.00 61.79 60.87 2d8r h SER 61 Cb 1.27 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.29 2d8r h SER 61 CO 0.55 0.02 0.62 0.07 -0.87 0.00 0.00 176.83 177.22 2d8r h LYS 62 N 0.00 1.03 -0.15 4.77 2.10 -1.92 -2.26 116.57 120.13 2d8r h LYS 62 Ca 0.00 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 2d8r h LYS 62 Cb 0.92 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 2d8r h LYS 62 CO 0.00 0.68 0.03 0.45 -2.00 0.00 0.00 179.45 178.61 2d8r h HIS 63 N 1.06 0.26 -2.95 0.07 3.86 -1.94 -3.45 115.15 112.06 2d8r h HIS 63 Ca 0.44 -0.03 -0.48 0.00 -1.16 0.00 0.00 60.37 59.13 2d8r h HIS 63 Cb 0.29 -0.07 0.22 0.00 1.06 0.00 0.00 27.41 28.91 2d8r h HIS 63 CO -0.00 0.40 -0.66 1.19 0.86 0.00 0.00 177.93 179.72 2d8r n PHE 64 N -4.81 -1.23 0.60 2.45 3.01 -0.85 -4.27 117.46 112.35 2d8r n PHE 64 Ca -0.05 0.14 0.13 0.00 1.01 0.00 0.00 57.45 58.68 2d8r n PHE 64 Cb 0.17 -1.69 0.30 0.00 -0.01 0.00 0.00 39.48 38.24 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 -2.59 0.27 0.00 -1.08 1.02 -1.26 -4.91 120.64 112.09 2d8r n GLU 65 Ca 0.04 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2d8r n GLU 65 Cb 0.57 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -4.79 120.51 115.22 2d8r n ALA 66 Ca 0.04 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 0.13 -0.48 0.00 7.64 -1.26 -2.88 113.62 116.78 2d8r n SER 67 Ca 0.00 -1.04 0.10 0.00 1.01 0.00 0.00 58.87 58.94 2d8r n SER 67 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.26 3.12 -0.91 0.00 0.40 -1.14 -0.21 117.98 116.98 2d8r s PHE 69 Ca 0.17 0.94 -0.14 0.00 -0.60 0.00 0.00 56.93 57.30 2d8r s PHE 69 Cb 0.16 -3.24 0.21 0.00 0.51 0.00 0.00 43.02 40.66 2d8r s PHE 69 CO 0.50 -1.49 0.92 0.34 0.70 0.00 0.00 175.22 176.20 2d8r s ASP 70 N -4.40 6.85 0.58 1.36 2.15 0.39 -4.77 116.67 118.83 2d8r s ASP 70 Ca 0.60 -2.74 0.36 0.00 0.43 0.00 0.00 52.55 51.20 2d8r s ASP 70 Cb -0.11 -2.25 1.67 0.00 -0.30 0.00 0.00 42.92 41.92 2d8r s ASP 70 CO 0.51 -0.62 2.10 -0.07 -0.17 0.00 0.00 175.17 176.92 2d8r h LEU 71 N 8.17 0.00 0.00 -1.34 -0.00 -1.88 -3.00 115.31 117.26 2d8r h LEU 71 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2d8r h LEU 71 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2d8r h LEU 71 CO 0.88 0.02 0.00 1.07 -0.00 0.00 0.00 178.44 180.42 2d8r n THR 72 N -3.16 0.00 0.00 0.22 5.66 -1.26 -4.77 114.28 110.96 2d8r n THR 72 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2d8r n THR 72 Cb 0.24 -0.88 0.00 0.00 -1.55 0.00 0.00 70.33 68.13 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 5.00 1.33 1.60 1.09 0.00 -1.26 -3.94 105.19 109.01 2d8r n GLY 73 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 -4.30 1.61 7.27 -1.26 -5.15 117.38 115.55 2d8r n GLN 74 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.91 2d8r n GLN 74 Cb 0.00 -0.01 -0.10 0.00 2.41 0.00 0.00 30.24 32.54 2d8r n GLN 74 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2d8r s THR 75 N -1.04 0.63 -0.64 1.69 -1.32 -1.25 -5.08 115.64 108.63 2d8r s THR 75 Ca 0.00 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.22 2d8r s THR 75 Cb 0.00 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 2d8r s THR 75 CO 0.00 -0.14 2.04 -0.13 -2.21 0.00 0.00 174.62 174.19 2d8r s ARG 76 N -3.99 2.42 -0.13 7.08 0.52 -1.14 -4.47 118.95 119.23 2d8r s ARG 76 Ca 0.34 0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 56.20 2d8r s ARG 76 Cb 0.07 -4.57 -0.02 0.00 0.52 0.00 0.00 34.95 30.96 2d8r s ARG 76 CO 0.11 -3.08 -0.12 1.03 0.02 0.00 0.00 175.30 173.26 2d8r s ARG 77 N 7.46 3.42 -0.00 3.54 0.52 -1.21 -4.67 118.95 128.00 2d8r s ARG 77 Ca 0.77 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 55.01 2d8r s ARG 77 Cb -0.13 -2.66 -0.08 0.00 0.52 0.00 0.00 34.95 32.60 2d8r s ARG 77 CO 0.18 0.22 1.88 -1.17 0.02 0.00 0.00 175.30 176.43 2d8r s LEU 78 N 0.34 4.36 -0.09 2.53 1.98 -1.26 0.15 118.68 126.68 2d8r s LEU 78 Ca -0.10 2.50 -0.34 0.00 -2.89 0.00 0.00 54.13 53.30 2d8r s LEU 78 Cb -0.16 -3.53 -0.11 0.00 0.66 0.00 0.00 46.19 43.05 2d8r s LEU 78 CO 0.05 -1.05 1.92 0.29 -1.89 0.00 0.00 176.35 175.67 2d8r n LYS 79 N 7.46 2.22 0.24 1.98 5.02 0.71 -4.79 118.16 131.00 2d8r n LYS 79 Ca 0.19 0.80 0.11 0.00 -2.02 0.00 0.00 58.31 57.39 2d8r n LYS 79 Cb 0.42 -2.70 0.56 0.00 -0.02 0.00 0.00 35.03 33.29 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 9.71 0.00 -0.66 1.97 2.86 -1.90 0.78 114.93 127.68 2d8r h MET 80 Ca -0.48 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.06 2d8r h MET 80 Cb 1.27 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.87 2d8r h MET 80 CO 0.95 0.00 0.13 -3.47 1.06 0.00 0.00 176.91 175.59 2d8r n ASP 81 N -2.43 5.35 -4.68 1.22 2.03 -1.26 -4.76 116.55 112.02 2d8r n ASP 81 Ca -0.01 -3.08 -0.30 0.00 0.52 0.00 0.00 54.79 51.91 2d8r n ASP 81 Cb 0.34 -0.72 -0.08 0.00 -0.72 0.00 0.00 41.12 39.94 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d8r s ALA 82 N -2.89 3.29 0.08 -1.67 0.00 0.27 -5.06 121.76 115.77 2d8r s ALA 82 Ca 0.55 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2d8r s ALA 82 Cb 0.43 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2d8r s ALA 82 CO 0.15 0.69 -0.11 0.14 0.00 0.00 0.00 175.76 176.63 2d8r s VAL 83 N -1.28 0.96 -0.72 0.00 -7.23 -1.26 -4.93 120.40 105.94 2d8r s VAL 83 Ca 0.25 -1.41 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 2d8r s VAL 83 Cb -0.12 -1.11 -0.17 0.00 0.56 0.00 0.00 36.38 35.54 2d8r s VAL 83 CO 0.17 -0.39 1.90 -0.81 -0.31 0.00 0.00 175.10 175.67 2d8r n PRO 84 N 1.01 1.40 -0.66 4.82 -0.04 -1.26 -4.73 135.00 135.54 2d8r n PRO 84 Ca -0.19 -1.78 -0.05 0.00 -0.04 0.00 0.00 63.50 61.43 2d8r n PRO 84 Cb 0.56 -2.89 -0.01 0.00 -0.04 0.00 0.00 33.50 31.12 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 6.06 2.30 0.00 0.52 -2.24 -1.26 -4.27 114.28 115.39 2d8r n THR 85 Ca 0.49 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2d8r n THR 85 Cb 0.40 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 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 1.37 0.00 0.00 2.28 5.41 -1.26 -5.03 119.36 122.13 2d8r n ILE 86 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 2d8r n ILE 86 Cb 0.56 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.49 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 -0.90 0.00 -2.57 1.39 3.72 -1.26 -4.60 117.46 113.24 2d8r n PHE 87 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 2d8r n PHE 87 Cb 0.00 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 2d8r n PHE 87 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2d8r s ASP 88 N -4.00 5.55 0.05 4.37 1.47 -1.26 -4.96 116.67 117.89 2d8r s ASP 88 Ca 0.00 0.49 0.00 0.00 1.18 0.00 0.00 52.55 54.22 2d8r s ASP 88 Cb 0.00 -1.51 0.00 0.00 -0.34 0.00 0.00 42.92 41.07 2d8r s ASP 88 CO 0.00 -1.02 0.00 0.33 0.68 0.00 0.00 175.17 175.16 2d8r n PHE 89 N -2.45 -1.51 -3.51 2.11 7.35 -1.26 -5.04 117.46 113.14 2d8r n PHE 89 Ca 0.04 0.16 -0.38 0.00 -0.76 0.00 0.00 57.45 56.51 2d8r n PHE 89 Cb 0.58 0.60 -0.05 0.00 0.35 0.00 0.00 39.48 40.97 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2d8r n THR 91 N 2.19 0.00 -3.71 0.00 -2.24 -1.26 -5.18 114.28 104.08 2d8r n THR 91 Ca 0.23 -2.13 -0.14 0.00 -2.27 0.00 0.00 64.05 59.74 2d8r n THR 91 Cb 0.37 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2d8r n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8r n HIS 92 N -0.90 -0.99 -0.06 4.78 1.44 -1.26 -5.05 115.22 113.18 2d8r n HIS 92 Ca -0.09 -1.27 -0.11 0.00 -2.01 0.00 0.00 57.72 54.24 2d8r n HIS 92 Cb 0.55 -0.24 -0.05 0.00 0.12 0.00 0.00 29.99 30.37 2d8r n HIS 92 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 2d8r h ILE 93 N 0.59 1.23 -6.92 0.61 5.03 -2.05 -3.47 117.51 112.54 2d8r h ILE 93 Ca -0.19 -0.77 -0.59 0.00 -0.12 0.00 0.00 64.86 63.19 2d8r h ILE 93 Cb 0.69 1.40 -0.04 0.00 -3.03 0.00 0.00 36.82 35.84 2d8r h ILE 93 CO 0.30 0.23 -1.00 -1.54 -0.68 0.00 0.00 178.15 175.46 2d8r n SER 94 N -4.75 -3.24 -2.70 1.72 3.41 -1.26 -4.87 113.62 101.93 2d8r n SER 94 Ca -0.05 -1.28 -0.07 0.00 -0.26 0.00 0.00 58.87 57.22 2d8r n SER 94 Cb 0.20 -1.79 0.10 0.00 -0.26 0.00 0.00 64.21 62.46 2d8r n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8r n GLY 95 N -2.16 0.94 3.77 5.00 0.00 -1.26 -4.99 105.19 106.49 2d8r n GLY 95 Ca -0.15 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 0.19 3.58 0.00 1.61 0.04 -1.26 -2.85 135.00 136.31 2d8r s PRO 96 Ca 0.20 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2d8r s PRO 96 Cb 0.35 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2d8r s PRO 96 CO -0.08 -0.68 0.00 0.45 0.04 0.00 0.00 177.00 176.73 2d8r n SER 97 N -0.85 -0.71 -0.38 6.66 2.88 -1.26 -2.89 113.62 117.07 2d8r n SER 97 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2d8r n SER 97 Cb 0.49 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2d8r n SER 97 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8r n SER 98 N -0.05 -1.72 0.00 -3.46 7.64 -1.13 -5.33 113.62 109.56 2d8r n SER 98 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2d8r n SER 98 Cb 0.03 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64