#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8r h SER 2 N 0.00 0.23 -3.63 1.61 4.64 -2.14 -3.42 113.55 110.84 2d8r h SER 2 Ca 0.00 -0.22 -0.68 0.00 -0.47 0.00 0.00 61.79 60.42 2d8r h SER 2 Cb 0.00 -0.07 -0.24 0.00 -0.31 0.00 0.00 62.40 61.78 2d8r h SER 2 CO 0.00 1.11 -0.57 -0.94 -0.87 0.00 0.00 176.83 175.56 2d8r s SER 3 N -6.93 5.44 0.00 4.97 1.04 -1.26 -4.99 113.70 111.97 2d8r s SER 3 Ca -0.02 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2d8r s SER 3 Cb 0.09 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2d8r s SER 3 CO 0.84 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.46 2d8r n GLY 4 N 4.95 0.49 2.58 7.32 0.00 -1.26 -5.11 105.19 114.16 2d8r n GLY 4 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 2d8r n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8r n SER 5 N 0.00 -4.74 -4.91 1.61 2.88 -1.26 -5.05 113.62 102.14 2d8r n SER 5 Ca 0.00 1.31 -0.21 0.00 -1.33 0.00 0.00 58.87 58.63 2d8r n SER 5 Cb 0.00 -5.02 -0.01 0.00 -0.75 0.00 0.00 64.21 58.43 2d8r n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8r s SER 6 N -1.16 5.02 0.00 -3.46 0.15 -1.26 -5.09 113.70 107.90 2d8r s SER 6 Ca -0.11 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2d8r s SER 6 Cb 0.01 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2d8r s SER 6 CO 0.74 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2d8r n GLY 7 N -1.71 1.07 3.73 9.45 0.00 -1.26 -5.15 105.19 111.32 2d8r n GLY 7 Ca 0.04 0.41 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 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 2.84 2.40 0.13 1.61 -1.94 -1.26 -4.94 119.30 118.15 2d8r s MET 8 Ca 0.00 1.98 -0.31 0.00 -1.71 0.00 0.00 55.69 55.65 2d8r s MET 8 Cb 0.00 -1.84 -0.08 0.00 2.01 0.00 0.00 34.83 34.92 2d8r s MET 8 CO 0.00 -1.69 1.35 -1.25 -0.01 0.00 0.00 175.02 173.42 2d8r s PRO 9 N -3.54 4.35 -0.13 2.03 0.04 -1.26 -5.03 135.00 131.47 2d8r s PRO 9 Ca 0.80 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.86 2d8r s PRO 9 Cb -0.35 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 2d8r s PRO 9 CO 0.41 -0.37 -0.05 0.99 0.04 0.00 0.00 177.00 178.02 2d8r s THR 10 N 0.83 3.76 0.34 1.26 2.01 -1.26 -5.00 115.64 117.57 2d8r s THR 10 Ca 0.62 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 62.26 2d8r s THR 10 Cb -0.36 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2d8r s THR 10 CO 0.32 0.53 0.24 0.21 -0.69 0.00 0.00 174.62 175.23 2d8r s ASN 11 N 0.03 1.81 0.06 3.53 2.47 -1.26 -4.45 114.94 117.13 2d8r s ASN 11 Ca -0.01 -1.73 -0.22 0.00 0.42 0.00 0.00 52.86 51.32 2d8r s ASN 11 Cb -0.14 0.54 -0.06 0.00 -1.45 0.00 0.00 41.25 40.15 2d8r s ASN 11 CO 0.03 -1.03 0.67 0.00 -3.72 0.00 0.00 177.10 173.05 2d8r n ALA 13 N 2.25 2.89 -0.95 0.00 0.00 -0.79 -4.49 120.51 119.43 2d8r n ALA 13 Ca -0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 2d8r n ALA 13 Cb 0.50 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 19.00 2d8r n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8r n ALA 14 N 0.26 -0.33 -2.93 0.00 0.00 -1.26 -4.88 120.51 111.37 2d8r n ALA 14 Ca 0.14 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 53.04 2d8r n ALA 14 Cb 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.01 3.30 -0.45 0.00 0.00 -1.26 -4.60 121.76 116.75 2d8r s ALA 15 Ca 0.04 -1.94 -0.21 0.00 0.00 0.00 0.00 51.96 49.85 2d8r s ALA 15 Cb -0.01 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.54 2d8r s ALA 15 CO 0.04 -2.40 0.62 0.41 0.00 0.00 0.00 175.76 174.43 2d8r n GLY 16 N 5.26 -0.94 0.87 0.00 0.00 -1.26 -5.00 105.19 104.12 2d8r n GLY 16 Ca -0.06 1.21 0.00 0.00 0.00 0.00 0.00 46.02 47.17 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 -1.69 -3.42 0.02 0.00 0.00 -1.26 -4.96 120.51 109.20 2d8r n ALA 18 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 53.44 54.01 2d8r n ALA 18 Cb 0.00 -1.00 0.15 0.00 0.00 0.00 0.00 19.45 18.59 2d8r n ALA 18 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2d8r n THR 19 N 0.63 0.69 0.00 0.00 5.66 -1.26 -4.81 114.28 115.20 2d8r n THR 19 Ca -0.02 -0.85 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 2d8r n THR 19 Cb 0.03 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 2d8r n THR 19 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2d8r n THR 20 N 0.76 0.00 -1.87 1.09 5.66 -1.26 -3.14 114.28 115.51 2d8r n THR 20 Ca 0.12 0.79 -0.22 0.00 -3.05 0.00 0.00 64.05 61.70 2d8r n THR 20 Cb 0.43 -1.17 -0.06 0.00 -1.55 0.00 0.00 70.33 67.98 2d8r n THR 20 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2d8r s TYR 21 N -1.26 1.58 -0.82 1.09 6.14 -1.26 -4.88 117.35 117.94 2d8r s TYR 21 Ca 0.00 1.14 -0.14 0.00 0.64 0.00 0.00 57.07 58.72 2d8r s TYR 21 Cb 0.00 -3.81 0.22 0.00 0.42 0.00 0.00 41.96 38.79 2d8r s TYR 21 CO 0.00 -1.57 0.76 -0.80 0.64 0.00 0.00 175.55 174.58 2d8r s ASN 22 N 8.80 6.72 -0.84 4.32 0.01 -1.19 -4.99 114.94 127.78 2d8r s ASN 22 Ca 0.78 -2.69 -0.22 0.00 -0.71 0.00 0.00 52.86 50.02 2d8r s ASN 22 Cb -0.08 -2.20 -0.19 0.00 0.41 0.00 0.00 41.25 39.19 2d8r s ASN 22 CO 0.04 -0.57 2.18 0.29 -1.51 0.00 0.00 177.10 177.53 2d8r n LYS 23 N 3.97 0.30 -3.85 -0.60 5.02 -1.26 -3.60 118.16 118.14 2d8r n LYS 23 Ca 0.13 -0.92 -0.32 0.00 -2.02 0.00 0.00 58.31 55.19 2d8r n LYS 23 Cb 0.47 -3.19 0.01 0.00 -0.02 0.00 0.00 35.03 32.29 2d8r n LYS 23 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2d8r n HIS 24 N 16.22 -1.39 0.00 2.13 -0.00 -1.26 -4.92 115.22 126.00 2d8r n HIS 24 Ca 0.44 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.49 2d8r n HIS 24 Cb 0.41 -2.31 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 2d8r n HIS 24 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2d8r n ILE 25 N -3.51 0.00 0.00 3.57 5.41 -1.24 -5.06 119.36 118.53 2d8r n ILE 25 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2d8r n ILE 25 Cb 0.52 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 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 -0.51 0.00 -4.49 4.38 3.02 -1.26 -5.14 115.26 111.26 2d8r n ASN 26 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2d8r n ASN 26 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2d8r n ILE 27 N 0.00 2.15 -3.55 2.41 5.41 -1.26 -5.00 119.36 119.52 2d8r n ILE 27 Ca 0.00 -0.50 -0.21 0.00 1.00 0.00 0.00 62.75 63.04 2d8r n ILE 27 Cb 0.00 -0.72 -0.02 0.00 -0.71 0.00 0.00 39.64 38.20 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 -1.02 5.02 -0.33 4.38 0.01 -1.26 -4.99 113.70 115.50 2d8r s SER 28 Ca 0.66 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 57.12 2d8r s SER 28 Cb -0.52 -0.36 0.08 0.00 0.21 0.00 0.00 66.02 65.44 2d8r s SER 28 CO 0.56 -0.78 0.03 0.72 0.41 0.00 0.00 173.24 174.18 2d8r s PHE 29 N -2.53 3.51 -0.37 2.43 -0.71 -1.26 -3.97 117.98 115.08 2d8r s PHE 29 Ca 0.47 -2.49 -0.03 0.00 -1.04 0.00 0.00 56.93 53.85 2d8r s PHE 29 Cb -0.03 -2.58 0.09 0.00 -1.21 0.00 0.00 43.02 39.28 2d8r s PHE 29 CO 0.28 -0.91 0.14 -1.01 -1.34 0.00 0.00 175.22 172.38 2d8r s HIS 30 N 1.07 3.49 1.32 3.49 3.76 -1.20 -4.98 115.29 122.23 2d8r s HIS 30 Ca 0.02 -2.23 -0.17 0.00 -0.15 0.00 0.00 55.06 52.53 2d8r s HIS 30 Cb -0.20 -2.87 0.34 0.00 1.11 0.00 0.00 32.58 30.95 2d8r s HIS 30 CO -0.05 -0.91 0.96 -0.98 -0.85 0.00 0.00 174.74 172.91 2d8r s ARG 31 N 1.18 -2.10 0.69 1.40 3.03 -1.26 -2.88 118.95 119.00 2d8r s ARG 31 Ca 0.04 0.55 -0.13 0.00 2.03 0.00 0.00 55.73 58.21 2d8r s ARG 31 Cb -0.22 -1.44 0.01 0.00 -1.03 0.00 0.00 34.95 32.28 2d8r s ARG 31 CO -0.03 -4.43 1.10 -0.06 -1.13 0.00 0.00 175.30 170.74 2d8r s PHE 32 N -2.29 2.67 0.28 5.89 0.40 -1.26 -4.85 117.98 118.83 2d8r s PHE 32 Ca 0.69 1.54 -0.29 0.00 -0.60 0.00 0.00 56.93 58.26 2d8r s PHE 32 Cb -0.21 -3.10 -0.10 0.00 0.51 0.00 0.00 43.02 40.12 2d8r s PHE 32 CO 0.63 -1.65 1.25 -1.25 0.70 0.00 0.00 175.22 174.90 2d8r s PRO 33 N -4.39 4.45 0.24 0.24 0.04 -1.26 -4.92 135.00 129.40 2d8r s PRO 33 Ca 0.64 2.05 0.25 0.00 0.04 0.00 0.00 61.00 63.98 2d8r s PRO 33 Cb -0.19 -3.14 0.93 0.00 0.04 0.00 0.00 34.50 32.14 2d8r s PRO 33 CO 0.46 -0.09 1.74 1.28 0.04 0.00 0.00 177.00 180.43 2d8r n LEU 34 N 1.38 0.72 -4.80 -3.56 7.99 -1.26 -4.02 117.00 113.45 2d8r n LEU 34 Ca 0.01 0.63 -0.35 0.00 -0.01 0.00 0.00 56.01 56.30 2d8r n LEU 34 Cb 0.43 -0.49 -0.07 0.00 -0.11 0.00 0.00 43.42 43.18 2d8r n LEU 34 CO 0.57 -0.43 0.63 -0.62 -1.51 0.00 0.00 177.39 176.04 2d8r s ASP 35 N -4.34 7.13 0.19 -1.43 2.15 -1.26 -4.93 116.67 114.18 2d8r s ASP 35 Ca 0.06 1.74 -0.05 0.00 0.43 0.00 0.00 52.55 54.73 2d8r s ASP 35 Cb 0.10 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 40.27 2d8r s ASP 35 CO 0.46 -0.20 1.54 1.55 -0.17 0.00 0.00 175.17 178.35 2d8r h PRO 36 N 2.58 0.72 -0.31 4.34 0.13 -1.97 0.43 132.00 137.92 2d8r h PRO 36 Ca -0.48 -0.38 0.03 0.00 -0.87 0.00 0.00 66.00 64.30 2d8r h PRO 36 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2d8r h PRO 36 CO 0.63 1.00 0.13 0.87 -0.23 0.00 0.00 178.00 180.40 2d8r h LYS 37 N 0.59 0.27 0.05 0.86 1.57 -1.96 -2.38 116.57 115.57 2d8r h LYS 37 Ca 0.05 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 2d8r h LYS 37 Cb 0.95 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2d8r h LYS 37 CO 0.09 0.18 -0.71 0.00 -0.57 0.00 0.00 179.45 178.43 2d8r h ARG 38 N 0.27 0.11 -0.99 3.15 2.47 -1.91 -3.25 114.38 114.23 2d8r h ARG 38 Ca 0.13 -0.18 0.19 0.00 -1.26 0.00 0.00 59.98 58.86 2d8r h ARG 38 Cb 0.08 0.07 -0.18 0.00 -1.65 0.00 0.00 29.97 28.29 2d8r h ARG 38 CO -0.12 1.09 -0.28 -0.09 0.56 0.00 0.00 179.97 181.13 2d8r h ARG 39 N -0.74 -0.00 -0.17 0.04 2.43 -0.14 1.45 114.38 117.25 2d8r h ARG 39 Ca -0.16 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 2d8r h ARG 39 Cb 1.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2d8r h ARG 39 CO -0.00 -0.00 -0.23 0.87 -1.51 0.00 0.00 179.97 179.10 2d8r h LYS 40 N -0.00 0.30 0.38 0.20 1.57 -1.58 -3.13 116.57 114.31 2d8r h LYS 40 Ca 0.45 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 2d8r h LYS 40 Cb 0.70 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2d8r h LYS 40 CO -1.01 0.52 -0.18 0.93 -0.57 0.00 0.00 179.45 179.13 2d8r h GLU 41 N 0.27 -0.49 -1.55 3.15 3.07 0.18 0.69 114.58 119.90 2d8r h GLU 41 Ca 0.05 0.03 0.50 0.00 -0.50 0.00 0.00 59.36 59.44 2d8r h GLU 41 Cb 0.56 0.11 -0.11 0.00 -0.84 0.00 0.00 28.75 28.47 2d8r h GLU 41 CO 0.04 -0.33 1.05 0.91 -1.40 0.00 0.00 179.01 179.28 2d8r n TRP 42 N -4.13 0.43 0.04 4.33 7.02 0.70 0.21 117.44 126.04 2d8r n TRP 42 Ca -0.06 0.44 -0.16 0.00 -1.02 0.00 0.00 57.50 56.70 2d8r n TRP 42 Cb 0.20 -0.89 -0.14 0.00 -2.42 0.00 0.00 31.31 28.06 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 1.03 0.00 -0.99 2.07 -1.50 -2.98 116.25 113.89 2d8r h VAL 43 Ca 0.88 -2.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 2d8r h VAL 43 Cb 3.09 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 35.51 2d8r h VAL 43 CO -0.29 0.78 -0.17 -0.09 0.02 0.00 0.00 177.57 177.81 2d8r h ARG 44 N 0.05 0.00 0.03 1.57 9.65 0.49 -3.04 114.38 123.14 2d8r h ARG 44 Ca -0.27 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.46 2d8r h ARG 44 Cb 2.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.58 2d8r h ARG 44 CO 0.13 0.17 -0.78 -0.07 2.80 0.00 0.00 179.97 182.22 2d8r h LEU 45 N 0.00 0.11 -0.55 3.80 3.38 -0.16 -3.30 115.31 118.59 2d8r h LEU 45 Ca -0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2d8r h LEU 45 Cb 0.73 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2d8r h LEU 45 CO 0.02 1.33 0.00 0.55 0.09 0.00 0.00 178.44 180.43 2d8r n VAL 46 N -4.37 1.62 0.00 1.22 3.14 -1.12 -4.82 118.33 114.00 2d8r n VAL 46 Ca -0.21 0.59 0.00 0.00 -2.96 0.00 0.00 64.34 61.76 2d8r n VAL 46 Cb 0.66 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 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 -1.79 0.00 -1.42 1.45 5.12 -1.15 -4.32 116.66 114.55 2d8r n ARG 47 Ca -0.01 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.65 2d8r n ARG 47 Cb 0.02 0.00 -0.19 0.00 -1.16 0.00 0.00 32.46 31.12 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 0.00 0.00 -0.01 5.56 3.00 -1.26 -4.72 116.66 119.23 2d8r n ARG 48 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.68 2d8r n ARG 48 Cb 0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 32.46 31.25 2d8r n ARG 48 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2d8r h LYS 49 N 10.72 0.25 -2.12 5.56 1.57 -1.91 -3.31 116.57 127.33 2d8r h LYS 49 Ca 0.01 -0.28 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 2d8r h LYS 49 Cb 1.12 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 2d8r h LYS 49 CO 1.48 1.01 -0.25 0.09 -0.57 0.00 0.00 179.45 181.20 2d8r n ASN 50 N -4.39 4.54 -3.75 0.86 3.02 -1.26 -4.77 115.26 109.52 2d8r n ASN 50 Ca -0.10 -2.34 -0.12 0.00 -0.03 0.00 0.00 54.58 51.99 2d8r n ASN 50 Cb 0.58 -1.21 -0.08 0.00 -0.61 0.00 0.00 39.78 38.47 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 1.19 -0.15 -0.08 3.10 5.36 -1.25 -5.17 117.98 120.98 2d8r s PHE 51 Ca 0.53 0.08 -0.15 0.00 -0.96 0.00 0.00 56.93 56.44 2d8r s PHE 51 Cb 0.25 0.11 0.03 0.00 -0.34 0.00 0.00 43.02 43.08 2d8r s PHE 51 CO 0.00 -0.48 0.36 0.08 -1.46 0.00 0.00 175.22 173.72 2d8r s VAL 52 N -2.20 0.02 0.91 3.12 1.01 -1.26 -5.05 120.40 116.95 2d8r s VAL 52 Ca -0.07 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 2d8r s VAL 52 Cb -0.02 -0.58 0.13 0.00 0.00 0.00 0.00 36.38 35.91 2d8r s VAL 52 CO -0.01 -0.11 1.09 -2.16 0.00 0.00 0.00 175.10 173.91 2d8r s PRO 53 N -0.51 1.18 0.00 2.72 0.04 -1.26 -4.82 135.00 132.36 2d8r s PRO 53 Ca -0.06 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2d8r s PRO 53 Cb -0.04 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2d8r s PRO 53 CO 0.03 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.19 2d8r n GLY 54 N -1.13 0.86 0.00 0.56 0.00 -1.26 -5.11 105.19 99.11 2d8r n GLY 54 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 3.00 -1.26 -4.97 118.16 116.54 2d8r n LYS 55 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 2d8r n LYS 55 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 35.03 35.53 2d8r n LYS 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2d8r n HIS 56 N 0.00 0.00 -1.66 5.64 8.25 -1.26 -4.83 115.22 121.36 2d8r n HIS 56 Ca 0.00 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.92 2d8r n HIS 56 Cb 0.00 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.14 0.20 -4.02 1.59 -1.04 -1.26 -4.67 114.28 103.95 2d8r n THR 57 Ca 0.11 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 61.99 2d8r n THR 57 Cb 0.10 -1.14 -0.07 0.00 -1.82 0.00 0.00 70.33 67.40 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 2.33 0.54 -0.01 -1.42 -0.12 -1.25 -4.07 117.98 113.98 2d8r s PHE 58 Ca 0.92 -0.88 0.03 0.00 -0.05 0.00 0.00 56.93 56.95 2d8r s PHE 58 Cb -0.98 -0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 41.27 2d8r s PHE 58 CO 0.56 -0.73 -0.09 -0.51 -0.05 0.00 0.00 175.22 174.40 2d8r s LEU 59 N -3.01 2.00 0.97 -1.99 1.43 -1.14 -1.89 118.68 115.05 2d8r s LEU 59 Ca 0.21 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 2d8r s LEU 59 Cb 0.04 -0.50 0.18 0.00 0.03 0.00 0.00 46.19 45.94 2d8r s LEU 59 CO 0.03 0.11 1.10 0.00 0.23 0.00 0.00 176.35 177.82 2d8r n SER 61 N -4.31 0.63 -0.12 0.00 7.64 -1.25 -4.19 113.62 112.02 2d8r n SER 61 Ca 0.08 -0.27 -0.09 0.00 1.01 0.00 0.00 58.87 59.60 2d8r n SER 61 Cb 0.53 0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 64.31 2d8r n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2d8r h LYS 62 N 0.00 0.51 -0.42 1.43 1.57 -1.92 -2.94 116.57 114.80 2d8r h LYS 62 Ca 0.00 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2d8r h LYS 62 Cb 0.64 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 2d8r h LYS 62 CO 0.00 0.46 0.16 0.45 -0.57 0.00 0.00 179.45 179.95 2d8r h HIS 63 N 0.44 0.29 -3.32 -1.35 3.86 -1.97 -3.43 115.15 109.67 2d8r h HIS 63 Ca 0.12 0.02 -0.43 0.00 -1.16 0.00 0.00 60.37 58.92 2d8r h HIS 63 Cb 0.11 -0.07 0.20 0.00 1.06 0.00 0.00 27.41 28.72 2d8r h HIS 63 CO -0.02 0.12 0.03 -0.06 0.86 0.00 0.00 177.93 178.86 2d8r s PHE 64 N -6.15 1.37 -0.57 2.45 0.40 -1.11 -4.61 117.98 109.76 2d8r s PHE 64 Ca -0.13 1.07 0.22 0.00 -0.60 0.00 0.00 56.93 57.50 2d8r s PHE 64 Cb 0.13 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 2d8r s PHE 64 CO 0.72 -3.82 0.93 0.39 0.70 0.00 0.00 175.22 174.14 2d8r n GLU 65 N -4.86 0.31 -0.24 0.44 1.02 -1.26 -4.95 120.64 111.10 2d8r n GLU 65 Ca 0.03 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2d8r n GLU 65 Cb 0.55 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.85 0.00 1.96 0.62 0.00 -1.26 -4.80 120.51 115.18 2d8r n ALA 66 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.61 2d8r n ALA 66 Cb 0.44 -0.13 0.92 0.00 0.00 0.00 0.00 19.45 20.68 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 0.11 -0.70 0.00 7.64 -1.26 -2.86 113.62 116.55 2d8r n SER 67 Ca 0.00 -1.04 0.08 0.00 1.01 0.00 0.00 58.87 58.92 2d8r n SER 67 Cb 0.00 -0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.88 -3.96 -3.45 0.00 3.01 -1.13 -2.69 117.46 110.12 2d8r n PHE 69 Ca 0.11 -1.08 -0.44 0.00 1.01 0.00 0.00 57.45 57.05 2d8r n PHE 69 Cb 0.42 -0.92 -0.05 0.00 -0.01 0.00 0.00 39.48 38.92 2d8r n PHE 69 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2d8r s ASP 70 N -5.36 6.18 -0.05 4.37 2.15 0.51 -4.72 116.67 119.74 2d8r s ASP 70 Ca 0.68 -2.48 0.11 0.00 0.43 0.00 0.00 52.55 51.29 2d8r s ASP 70 Cb -0.02 -2.10 -0.17 0.00 -0.30 0.00 0.00 42.92 40.33 2d8r s ASP 70 CO 0.47 -0.59 0.18 0.18 -0.17 0.00 0.00 175.17 175.25 2d8r n LEU 71 N 4.20 0.00 0.28 -1.34 4.32 -1.26 -3.31 117.00 119.89 2d8r n LEU 71 Ca 0.05 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.22 2d8r n LEU 71 Cb 0.43 0.10 0.72 0.00 -1.62 0.00 0.00 43.42 43.05 2d8r n LEU 71 CO 0.38 0.10 1.01 0.00 -1.22 0.00 0.00 177.39 177.66 2d8r h THR 72 N 0.00 0.00 0.00 -5.08 1.03 -1.93 -3.39 112.91 103.53 2d8r h THR 72 Ca -0.11 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 2d8r h THR 72 Cb 0.97 1.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.53 2d8r h THR 72 CO 0.01 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.13 2d8r n GLY 73 N -0.03 -0.16 0.00 2.99 0.00 -1.26 -5.13 105.19 101.60 2d8r n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.26 4.00 -0.72 1.61 6.02 -1.26 -5.12 117.38 120.65 2d8r n GLN 74 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 2d8r n GLN 74 Cb 0.00 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.41 2d8r n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2d8r n THR 75 N 0.00 0.00 -1.64 5.09 5.66 -1.26 -4.15 114.28 117.98 2d8r n THR 75 Ca 0.00 -0.17 -0.37 0.00 -3.05 0.00 0.00 64.05 60.46 2d8r n THR 75 Cb 0.00 -0.76 -0.03 0.00 -1.55 0.00 0.00 70.33 67.99 2d8r n THR 75 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2d8r s ARG 76 N -3.96 2.27 -0.12 1.09 0.52 -1.23 -4.45 118.95 113.06 2d8r s ARG 76 Ca 0.61 1.33 0.03 0.00 -0.52 0.00 0.00 55.73 57.17 2d8r s ARG 76 Cb -0.21 -4.53 0.00 0.00 0.52 0.00 0.00 34.95 30.73 2d8r s ARG 76 CO 0.64 -3.09 -0.22 1.03 0.02 0.00 0.00 175.30 173.68 2d8r s ARG 77 N 7.90 3.09 -0.24 3.54 0.52 -1.21 -4.78 118.95 127.78 2d8r s ARG 77 Ca 0.93 -0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 55.01 2d8r s ARG 77 Cb -0.18 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 2d8r s ARG 77 CO 0.26 0.12 1.99 -1.17 0.02 0.00 0.00 175.30 176.52 2d8r s LEU 78 N 0.51 3.59 0.32 2.53 1.98 -1.26 0.19 118.68 126.54 2d8r s LEU 78 Ca -0.14 1.72 -0.29 0.00 -2.89 0.00 0.00 54.13 52.53 2d8r s LEU 78 Cb -0.17 -3.52 -0.12 0.00 0.66 0.00 0.00 46.19 43.04 2d8r s LEU 78 CO 0.05 -1.73 1.50 0.29 -1.89 0.00 0.00 176.35 174.57 2d8r n LYS 79 N 8.43 2.52 0.00 1.98 5.02 -1.10 -4.84 118.16 130.18 2d8r n LYS 79 Ca 0.25 0.89 0.03 0.00 -2.02 0.00 0.00 58.31 57.47 2d8r n LYS 79 Cb 0.45 -2.61 0.16 0.00 -0.02 0.00 0.00 35.03 33.01 2d8r n LYS 79 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2d8r n MET 80 N 1.43 0.07 -0.52 1.97 2.81 -1.26 -1.04 117.12 120.57 2d8r n MET 80 Ca 0.06 0.28 0.08 0.00 -1.81 0.00 0.00 57.70 56.31 2d8r n MET 80 Cb 0.36 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.66 2d8r n MET 80 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2d8r n ASP 81 N -1.36 4.25 -4.72 7.83 9.92 -1.26 -4.84 116.55 126.37 2d8r n ASP 81 Ca 0.03 -2.81 -0.34 0.00 -0.53 0.00 0.00 54.79 51.13 2d8r n ASP 81 Cb 0.06 -0.54 -0.08 0.00 -0.64 0.00 0.00 41.12 39.92 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 3.41 0.09 2.24 0.00 -0.21 -5.08 121.76 119.73 2d8r s ALA 82 Ca 0.43 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.63 2d8r s ALA 82 Cb 0.33 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2d8r s ALA 82 CO 0.13 0.62 -0.15 0.14 0.00 0.00 0.00 175.76 176.50 2d8r s VAL 83 N -0.99 1.25 -0.94 0.00 -7.23 -1.26 -4.95 120.40 106.28 2d8r s VAL 83 Ca 0.16 -1.49 -0.24 0.00 -1.81 0.00 0.00 61.98 58.60 2d8r s VAL 83 Cb -0.12 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 2d8r s VAL 83 CO 0.06 -0.28 1.95 -2.16 -0.31 0.00 0.00 175.10 174.35 2d8r s PRO 84 N -2.12 2.55 0.00 4.82 0.04 -1.26 -4.76 135.00 134.26 2d8r s PRO 84 Ca 0.03 -0.41 0.09 0.00 0.04 0.00 0.00 61.00 60.74 2d8r s PRO 84 Cb -0.08 -5.09 0.52 0.00 0.04 0.00 0.00 34.50 29.90 2d8r s PRO 84 CO 0.03 -3.46 1.26 0.25 0.04 0.00 0.00 177.00 175.11 2d8r n THR 85 N 7.87 0.00 -4.40 1.26 -2.24 -1.26 -4.78 114.28 110.72 2d8r n THR 85 Ca 0.41 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.98 2d8r n THR 85 Cb 0.47 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 2d8r n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2d8r s ILE 86 N -2.00 1.92 0.00 2.28 1.09 -1.26 -4.97 121.20 118.26 2d8r s ILE 86 Ca 0.13 -2.24 0.00 0.00 -1.10 0.00 0.00 60.65 57.44 2d8r s ILE 86 Cb 0.06 -2.21 0.00 0.00 -1.06 0.00 0.00 42.46 39.26 2d8r s ILE 86 CO 0.10 -0.48 0.00 0.49 -0.10 0.00 0.00 174.94 174.95 2d8r n PHE 87 N -0.49 0.00 -3.60 3.97 3.72 -1.26 -4.93 117.46 114.87 2d8r n PHE 87 Ca -0.07 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.05 2d8r n PHE 87 Cb 0.61 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.00 3.04 -0.34 4.37 1.47 -1.26 -5.03 116.67 118.92 2d8r s ASP 88 Ca 0.00 -2.91 -0.29 0.00 1.18 0.00 0.00 52.55 50.53 2d8r s ASP 88 Cb 0.00 -0.85 0.02 0.00 -0.34 0.00 0.00 42.92 41.75 2d8r s ASP 88 CO 0.00 -0.21 1.09 -0.36 0.68 0.00 0.00 175.17 176.37 2d8r s PHE 89 N 0.06 3.09 -0.13 2.11 0.08 -1.26 -4.47 117.98 117.46 2d8r s PHE 89 Ca 0.24 1.12 -0.06 0.00 0.12 0.00 0.00 56.93 58.36 2d8r s PHE 89 Cb -0.12 -3.80 0.02 0.00 -0.57 0.00 0.00 43.02 38.55 2d8r s PHE 89 CO -0.09 -0.85 0.11 0.00 -0.10 0.00 0.00 175.22 174.29 2d8r n THR 91 N 0.86 0.64 -4.22 0.00 -2.24 -1.26 -4.90 114.28 103.15 2d8r n THR 91 Ca -0.19 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 2d8r n THR 91 Cb 0.29 -0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.07 2d8r n THR 91 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2d8r s HIS 92 N -3.34 2.79 -0.15 4.78 3.76 -1.26 -5.12 115.29 116.75 2d8r s HIS 92 Ca -0.01 -0.13 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 2d8r s HIS 92 Cb 0.10 -1.46 0.02 0.00 1.11 0.00 0.00 32.58 32.35 2d8r s HIS 92 CO 0.80 0.43 -0.19 0.42 -0.85 0.00 0.00 174.74 175.35 2d8r s ILE 93 N -1.23 1.91 0.37 0.60 1.09 -1.26 -5.03 121.20 117.65 2d8r s ILE 93 Ca 0.22 -0.87 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 2d8r s ILE 93 Cb -0.11 -1.72 0.00 0.00 -1.06 0.00 0.00 42.46 39.57 2d8r s ILE 93 CO 0.14 0.52 0.00 -1.54 -0.10 0.00 0.00 174.94 173.96 2d8r n SER 94 N 4.38 -5.46 0.00 3.58 3.41 -1.26 -5.02 113.62 113.24 2d8r n SER 94 Ca -0.20 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2d8r n SER 94 Cb 0.51 -2.84 0.00 0.00 -0.26 0.00 0.00 64.21 61.62 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 -1.99 2.12 3.63 5.00 0.00 -1.26 -5.10 105.19 107.60 2d8r n GLY 95 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 3.85 -0.01 1.61 0.04 -1.26 -4.81 135.00 134.42 2d8r s PRO 96 Ca 0.00 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.76 2d8r s PRO 96 Cb 0.00 -4.02 0.02 0.00 0.04 0.00 0.00 34.50 30.54 2d8r s PRO 96 CO 0.00 -1.22 0.75 0.43 0.04 0.00 0.00 177.00 177.00 2d8r n SER 97 N 8.23 0.31 -4.81 6.66 7.64 -1.26 -5.09 113.62 125.30 2d8r n SER 97 Ca 0.18 -1.55 -0.31 0.00 1.01 0.00 0.00 58.87 58.20 2d8r n SER 97 Cb 0.45 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 2d8r n SER 97 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d8r s SER 98 N -0.59 4.29 0.00 6.43 0.01 -1.26 -5.34 113.70 117.24 2d8r s SER 98 Ca 0.02 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.74 2d8r s SER 98 Cb 0.02 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2d8r s SER 98 CO 0.00 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.31