#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 0.83 -4.99 1.61 7.64 -1.26 -4.98 113.62 112.47 2d8r n SER 2 Ca 0.00 -0.72 -0.19 0.00 1.01 0.00 0.00 58.87 58.97 2d8r n SER 2 Cb 0.00 1.20 0.02 0.00 -1.01 0.00 0.00 64.21 64.41 2d8r n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d8r s SER 3 N -3.04 5.30 0.00 6.43 0.01 -1.26 -5.09 113.70 116.05 2d8r s SER 3 Ca 0.04 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2d8r s SER 3 Cb 0.13 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2d8r s SER 3 CO 0.75 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2d8r n GLY 4 N -1.91 -1.87 2.33 3.44 0.00 -1.26 -5.10 105.19 100.82 2d8r n GLY 4 Ca 0.09 0.86 -0.01 0.00 0.00 0.00 0.00 46.02 46.96 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 -6.86 -3.64 1.61 2.88 -1.26 -5.07 113.62 101.28 2d8r n SER 5 Ca 0.00 1.64 -0.06 0.00 -1.33 0.00 0.00 58.87 59.12 2d8r n SER 5 Cb 0.00 -4.42 -0.07 0.00 -0.75 0.00 0.00 64.21 58.97 2d8r n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d8r s SER 6 N -0.48 -0.32 0.00 -3.46 1.04 -1.26 -5.17 113.70 104.06 2d8r s SER 6 Ca -0.03 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.00 2d8r s SER 6 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2d8r s SER 6 CO 0.07 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2d8r n GLY 7 N 2.16 1.49 3.62 7.32 0.00 -1.26 -5.07 105.19 113.46 2d8r n GLY 7 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2d8r n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2d8r n MET 8 N 0.00 1.41 -1.10 1.61 3.85 -1.26 -4.97 117.12 116.66 2d8r n MET 8 Ca 0.00 0.51 -0.30 0.00 -1.00 0.00 0.00 57.70 56.91 2d8r n MET 8 Cb 0.00 -2.09 0.22 0.00 -1.05 0.00 0.00 33.22 30.30 2d8r n MET 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2d8r s PRO 9 N -2.07 -0.82 0.00 3.17 0.04 -1.26 -5.09 135.00 128.97 2d8r s PRO 9 Ca 0.63 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2d8r s PRO 9 Cb -0.55 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2d8r s PRO 9 CO 0.57 -3.47 0.00 -2.37 0.04 0.00 0.00 177.00 171.76 2d8r n THR 10 N -4.62 0.00 -4.01 1.26 5.66 -1.26 -4.87 114.28 106.44 2d8r n THR 10 Ca 0.11 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.01 2d8r n THR 10 Cb 0.59 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 2d8r n THR 10 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2d8r s ASN 11 N 0.00 -0.03 0.39 1.09 4.22 -1.26 -4.94 114.94 114.40 2d8r s ASN 11 Ca 0.00 -0.97 -0.24 0.00 -2.14 0.00 0.00 52.86 49.51 2d8r s ASN 11 Cb 0.00 0.52 -0.10 0.00 1.28 0.00 0.00 41.25 42.95 2d8r s ASN 11 CO 0.00 -1.04 0.97 0.00 -2.04 0.00 0.00 177.10 175.00 2d8r n ALA 13 N -0.07 1.81 -1.11 0.00 0.00 -0.87 -4.86 120.51 115.41 2d8r n ALA 13 Ca 0.05 -0.86 -0.35 0.00 0.00 0.00 0.00 53.44 52.28 2d8r n ALA 13 Cb 0.51 -0.65 0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.53 -1.92 -2.85 0.00 0.00 -1.26 -4.95 120.51 107.00 2d8r n ALA 14 Ca -0.18 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.53 2d8r n ALA 14 Cb 0.96 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.06 3.88 -0.67 0.00 0.00 -1.26 -4.27 121.76 117.37 2d8r s ALA 15 Ca 0.62 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2d8r s ALA 15 Cb -0.30 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.83 2d8r s ALA 15 CO 0.61 0.64 0.00 0.41 0.00 0.00 0.00 175.76 177.42 2d8r n GLY 16 N 1.70 0.77 0.00 0.00 0.00 -1.26 -4.50 105.19 101.90 2d8r n GLY 16 Ca -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.18 -1.13 -2.91 0.00 0.00 -1.26 -5.03 120.51 108.99 2d8r n ALA 18 Ca 0.00 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 2d8r n ALA 18 Cb 0.00 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.14 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 -3.14 4.58 0.15 0.00 2.01 -1.26 -4.89 115.64 113.09 2d8r s THR 19 Ca 0.13 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2d8r s THR 19 Cb -0.02 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2d8r s THR 19 CO 0.27 0.36 0.00 0.35 -0.69 0.00 0.00 174.62 174.91 2d8r n THR 20 N 4.55 0.00 -4.87 -0.82 -2.24 -1.26 -3.46 114.28 106.18 2d8r n THR 20 Ca -0.16 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 2d8r n THR 20 Cb 0.52 -0.12 -0.17 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.40 2.64 0.18 4.78 6.14 -1.26 -5.11 117.35 123.32 2d8r s TYR 21 Ca 0.00 -1.20 -0.11 0.00 0.64 0.00 0.00 57.07 56.40 2d8r s TYR 21 Cb 0.00 -1.78 -0.00 0.00 0.42 0.00 0.00 41.96 40.60 2d8r s TYR 21 CO 0.00 -0.52 0.34 -0.80 0.64 0.00 0.00 175.55 175.21 2d8r s ASN 22 N 0.62 -0.02 0.00 4.32 -0.87 -1.26 -5.13 114.94 112.60 2d8r s ASN 22 Ca -0.12 -0.82 0.00 0.00 -1.57 0.00 0.00 52.86 50.35 2d8r s ASN 22 Cb -0.16 0.48 0.00 0.00 -0.02 0.00 0.00 41.25 41.54 2d8r s ASN 22 CO 0.02 -0.95 0.02 0.29 -2.57 0.00 0.00 177.10 173.92 2d8r n LYS 23 N -0.26 0.00 -2.41 -0.60 4.76 -1.26 -4.37 118.16 114.02 2d8r n LYS 23 Ca -0.07 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.94 2d8r n LYS 23 Cb 0.63 -0.34 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 2d8r n LYS 23 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2d8r n HIS 24 N -0.04 3.09 -3.75 2.13 -0.00 -1.26 -4.88 115.22 110.52 2d8r n HIS 24 Ca 0.00 -2.83 -0.30 0.00 0.46 0.00 0.00 57.72 55.05 2d8r n HIS 24 Cb 0.00 -1.94 -0.15 0.00 -0.12 0.00 0.00 29.99 27.77 2d8r n HIS 24 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2d8r s ILE 25 N 0.37 0.94 -2.05 3.57 -1.09 -1.26 -4.95 121.20 116.72 2d8r s ILE 25 Ca 0.40 -1.38 0.21 0.00 -2.23 0.00 0.00 60.65 57.65 2d8r s ILE 25 Cb 0.08 -1.68 0.58 0.00 -1.58 0.00 0.00 42.46 39.87 2d8r s ILE 25 CO 0.01 -0.62 1.49 -0.46 -1.23 0.00 0.00 174.94 174.12 2d8r n ASN 26 N 4.83 3.57 -3.16 3.58 0.23 -1.26 -4.91 115.26 118.15 2d8r n ASN 26 Ca -0.03 -1.99 -0.30 0.00 -0.53 0.00 0.00 54.58 51.73 2d8r n ASN 26 Cb 0.42 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2d8r n ILE 27 N 1.46 0.28 -3.65 1.53 5.41 -1.26 -4.93 119.36 118.20 2d8r n ILE 27 Ca 0.22 -0.37 -0.28 0.00 1.00 0.00 0.00 62.75 63.33 2d8r n ILE 27 Cb 0.57 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.47 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 -0.74 6.39 -0.48 4.38 0.01 -1.26 -5.02 113.70 116.98 2d8r s SER 28 Ca 0.43 0.44 -0.17 0.00 1.31 0.00 0.00 55.95 57.96 2d8r s SER 28 Cb -0.43 -2.03 0.06 0.00 0.21 0.00 0.00 66.02 63.83 2d8r s SER 28 CO 0.47 -0.06 0.48 -0.36 0.41 0.00 0.00 173.24 174.19 2d8r s PHE 29 N -1.89 3.16 -0.45 2.43 0.40 -1.26 -4.21 117.98 116.16 2d8r s PHE 29 Ca 0.39 -0.72 -0.09 0.00 -0.60 0.00 0.00 56.93 55.91 2d8r s PHE 29 Cb -0.11 -3.27 0.10 0.00 0.51 0.00 0.00 43.02 40.25 2d8r s PHE 29 CO 0.29 -0.87 0.31 -1.01 0.70 0.00 0.00 175.22 174.64 2d8r s HIS 30 N 2.07 3.39 1.11 0.36 3.76 -1.14 -4.99 115.29 119.85 2d8r s HIS 30 Ca 0.09 -1.73 -0.15 0.00 -0.15 0.00 0.00 55.06 53.12 2d8r s HIS 30 Cb -0.22 -3.27 0.24 0.00 1.11 0.00 0.00 32.58 30.45 2d8r s HIS 30 CO 0.09 -0.93 1.08 -0.98 -0.85 0.00 0.00 174.74 173.15 2d8r s ARG 31 N 1.39 -0.47 0.58 1.40 1.70 -1.26 -1.93 118.95 120.36 2d8r s ARG 31 Ca 0.05 0.35 -0.15 0.00 -0.47 0.00 0.00 55.73 55.51 2d8r s ARG 31 Cb -0.25 -1.65 -0.05 0.00 -0.57 0.00 0.00 34.95 32.44 2d8r s ARG 31 CO 0.00 -3.30 1.03 -0.06 -1.08 0.00 0.00 175.30 171.89 2d8r s PHE 32 N -2.88 3.27 0.05 5.89 0.40 -1.26 -4.85 117.98 118.60 2d8r s PHE 32 Ca 0.68 1.45 -0.31 0.00 -0.60 0.00 0.00 56.93 58.15 2d8r s PHE 32 Cb -0.17 -2.87 -0.07 0.00 0.51 0.00 0.00 43.02 40.43 2d8r s PHE 32 CO 0.58 -0.80 1.41 -1.25 0.70 0.00 0.00 175.22 175.86 2d8r s PRO 33 N -4.38 4.30 0.00 0.24 0.04 -1.26 -4.88 135.00 129.05 2d8r s PRO 33 Ca 0.60 2.02 0.13 0.00 0.04 0.00 0.00 61.00 63.79 2d8r s PRO 33 Cb -0.13 -3.45 0.66 0.00 0.04 0.00 0.00 34.50 31.62 2d8r s PRO 33 CO 0.40 -0.52 1.32 1.28 0.04 0.00 0.00 177.00 179.52 2d8r n LEU 34 N 4.82 0.00 -4.83 -3.56 7.99 -1.26 -3.96 117.00 116.20 2d8r n LEU 34 Ca 0.13 0.27 -0.36 0.00 -0.01 0.00 0.00 56.01 56.03 2d8r n LEU 34 Cb 0.43 -0.27 -0.06 0.00 -0.11 0.00 0.00 43.42 43.41 2d8r n LEU 34 CO 0.59 -0.15 0.32 -0.62 -1.51 0.00 0.00 177.39 176.01 2d8r s ASP 35 N -2.54 6.96 0.45 -1.43 2.15 -1.26 -4.97 116.67 116.03 2d8r s ASP 35 Ca 0.13 1.25 0.23 0.00 0.43 0.00 0.00 52.55 54.59 2d8r s ASP 35 Cb 0.09 -2.36 1.00 0.00 -0.30 0.00 0.00 42.92 41.35 2d8r s ASP 35 CO 0.19 0.10 1.87 1.55 -0.17 0.00 0.00 175.17 178.71 2d8r h PRO 36 N 3.65 0.00 0.26 4.34 0.13 -1.98 0.28 132.00 138.68 2d8r h PRO 36 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2d8r h PRO 36 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2d8r h PRO 36 CO 0.65 0.23 -0.12 0.87 -0.23 0.00 0.00 178.00 179.40 2d8r h LYS 37 N 0.00 -0.34 0.21 0.86 6.56 -1.94 -3.24 116.57 118.69 2d8r h LYS 37 Ca -0.00 0.02 -0.33 0.00 -1.06 0.00 0.00 60.65 59.28 2d8r h LYS 37 Cb 0.67 0.08 0.02 0.00 -0.57 0.00 0.00 32.23 32.43 2d8r h LYS 37 CO 0.03 -0.02 -1.55 0.00 -2.06 0.00 0.00 179.45 175.85 2d8r h ARG 38 N -0.67 0.45 -0.84 3.15 3.08 -1.90 -3.32 114.38 114.34 2d8r h ARG 38 Ca -0.04 -0.78 0.18 0.00 0.07 0.00 0.00 59.98 59.41 2d8r h ARG 38 Cb 0.47 0.29 -0.16 0.00 0.08 0.00 0.00 29.97 30.65 2d8r h ARG 38 CO 0.06 1.37 -0.18 -2.13 -1.07 0.00 0.00 179.97 178.02 2d8r n ARG 39 N -3.71 -0.07 -0.02 0.04 0.63 0.98 0.23 116.66 114.74 2d8r n ARG 39 Ca -0.20 1.30 -0.07 0.00 -0.92 0.00 0.00 57.85 57.96 2d8r n ARG 39 Cb 1.06 -1.95 0.12 0.00 0.45 0.00 0.00 32.46 32.14 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 0.60 0.68 -0.14 1.57 -1.69 -3.01 116.57 114.57 2d8r h LYS 40 Ca 0.42 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2d8r h LYS 40 Cb 0.67 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.98 2d8r h LYS 40 CO -0.85 0.85 -0.33 0.93 -0.57 0.00 0.00 179.45 179.49 2d8r h GLU 41 N 0.51 -0.88 -1.25 3.15 4.39 0.28 0.93 114.58 121.71 2d8r h GLU 41 Ca 0.06 0.06 0.36 0.00 0.34 0.00 0.00 59.36 60.18 2d8r h GLU 41 Cb 0.82 0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 29.59 2d8r h GLU 41 CO 0.07 -0.58 0.86 -1.49 -1.16 0.00 0.00 179.01 176.70 2d8r h TRP 42 N -1.01 0.29 0.02 4.33 4.06 -0.91 0.75 115.95 123.49 2d8r h TRP 42 Ca -0.09 0.01 -0.28 0.00 2.06 0.00 0.00 58.89 60.59 2d8r h TRP 42 Cb 0.70 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.74 2d8r h TRP 42 CO 0.05 -0.02 -1.51 0.28 -3.56 0.00 0.00 178.44 173.67 2d8r h VAL 43 N 0.13 1.11 0.00 1.49 2.07 -1.36 -3.13 116.25 116.56 2d8r h VAL 43 Ca 0.66 -2.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 2d8r h VAL 43 Cb 2.25 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 34.61 2d8r h VAL 43 CO -0.17 0.69 -0.07 -0.09 0.02 0.00 0.00 177.57 177.94 2d8r h ARG 44 N 0.01 0.00 0.02 1.57 9.65 0.66 -3.18 114.38 123.12 2d8r h ARG 44 Ca -0.21 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.56 2d8r h ARG 44 Cb 1.95 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.52 2d8r h ARG 44 CO 0.11 0.07 -0.54 -0.07 2.80 0.00 0.00 179.97 182.34 2d8r h LEU 45 N 0.00 0.08 -2.21 3.80 3.38 -0.11 -3.31 115.31 116.93 2d8r h LEU 45 Ca -0.00 -0.85 0.05 0.00 0.09 0.00 0.00 57.88 57.17 2d8r h LEU 45 Cb 0.86 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2d8r h LEU 45 CO 0.01 1.22 0.25 1.62 0.09 0.00 0.00 178.44 181.63 2d8r h VAL 46 N -0.88 0.33 0.00 1.22 3.04 -1.61 -3.45 116.25 114.90 2d8r h VAL 46 Ca -0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2d8r h VAL 46 Cb 1.21 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2d8r h VAL 46 CO -0.04 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 175.38 2d8r n ARG 47 N -3.57 0.00 -0.97 4.17 0.00 -1.20 -4.55 116.66 110.55 2d8r n ARG 47 Ca 0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.51 2d8r n ARG 47 Cb 0.36 -2.61 0.05 0.00 0.00 0.00 0.00 32.46 30.26 2d8r n ARG 47 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2d8r n ARG 48 N -2.00 -0.05 -1.43 -0.14 3.00 -1.26 -4.56 116.66 110.23 2d8r n ARG 48 Ca 0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 2d8r n ARG 48 Cb 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 32.46 31.20 2d8r n ARG 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2d8r n LYS 49 N 1.76 0.44 -2.89 -0.14 4.81 -1.26 -4.04 118.16 116.84 2d8r n LYS 49 Ca -0.00 -1.72 -0.17 0.00 -0.87 0.00 0.00 58.31 55.55 2d8r n LYS 49 Cb 0.55 -3.56 -0.03 0.00 0.02 0.00 0.00 35.03 32.01 2d8r n LYS 49 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2d8r n ASN 50 N 16.07 -1.04 -4.18 3.14 4.13 -1.26 -4.83 115.26 127.28 2d8r n ASN 50 Ca 0.43 -0.32 -0.29 0.00 1.68 0.00 0.00 54.58 56.09 2d8r n ASN 50 Cb 0.46 -0.95 0.22 0.00 -1.54 0.00 0.00 39.78 37.96 2d8r n ASN 50 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2d8r s PHE 51 N -2.08 1.10 -0.02 3.10 -0.71 -1.26 -5.08 117.98 113.03 2d8r s PHE 51 Ca 0.32 0.73 -0.07 0.00 -1.04 0.00 0.00 56.93 56.88 2d8r s PHE 51 Cb -0.19 -3.31 0.01 0.00 -1.21 0.00 0.00 43.02 38.31 2d8r s PHE 51 CO 0.40 -3.61 0.15 0.08 -1.34 0.00 0.00 175.22 170.90 2d8r s VAL 52 N -2.90 0.06 0.00 -2.49 1.01 -1.26 -4.94 120.40 109.88 2d8r s VAL 52 Ca 0.68 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2d8r s VAL 52 Cb -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2d8r s VAL 52 CO 0.57 -0.26 0.00 -0.81 0.00 0.00 0.00 175.10 174.61 2d8r n PRO 53 N 1.93 -0.37 0.00 2.72 -0.04 -1.26 -4.91 135.00 133.07 2d8r n PRO 53 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2d8r n PRO 53 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2d8r n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d8r n GLY 54 N 2.44 0.94 0.00 0.55 0.00 -1.26 -5.06 105.19 102.80 2d8r n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 1.61 4.81 -1.26 -4.95 118.16 118.40 2d8r n LYS 55 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2d8r n LYS 55 Cb 0.00 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.23 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 0.36 0.17 -1.52 5.64 1.44 -1.26 -4.75 115.22 115.31 2d8r n HIS 56 Ca 0.00 0.09 -0.60 0.00 -2.01 0.00 0.00 57.72 55.20 2d8r n HIS 56 Cb 0.00 -0.64 -0.09 0.00 0.12 0.00 0.00 29.99 29.38 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 -1.67 0.11 -3.83 0.61 -1.04 -1.26 -4.34 114.28 102.86 2d8r n THR 57 Ca 0.00 -0.06 -0.12 0.00 -2.04 0.00 0.00 64.05 61.83 2d8r n THR 57 Cb 0.05 -0.89 -0.10 0.00 -1.82 0.00 0.00 70.33 67.57 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 4.97 -0.06 -0.10 -1.42 -0.12 -1.23 -4.29 117.98 115.72 2d8r s PHE 58 Ca 1.09 0.07 0.01 0.00 -0.05 0.00 0.00 56.93 58.05 2d8r s PHE 58 Cb -1.27 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 41.11 2d8r s PHE 58 CO 0.67 -0.30 -0.13 -0.51 -0.05 0.00 0.00 175.22 174.89 2d8r s LEU 59 N -1.22 2.76 0.00 -1.99 1.43 -0.81 -2.05 118.68 116.81 2d8r s LEU 59 Ca -0.13 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2d8r s LEU 59 Cb -0.06 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.55 2d8r s LEU 59 CO 0.02 0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.83 2d8r n SER 61 N -2.85 0.48 0.28 0.00 3.41 -1.26 -4.31 113.62 109.37 2d8r n SER 61 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2d8r n SER 61 Cb 0.00 1.49 0.79 0.00 -0.26 0.00 0.00 64.21 66.23 2d8r n SER 61 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2d8r h LYS 62 N 0.00 0.00 -0.65 4.33 1.57 -1.94 -2.21 116.57 117.67 2d8r h LYS 62 Ca -0.22 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 2d8r h LYS 62 Cb 1.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.72 2d8r h LYS 62 CO 0.01 0.08 0.15 0.45 -0.57 0.00 0.00 179.45 179.56 2d8r h HIS 63 N 0.00 1.07 -3.53 -1.35 3.86 -1.91 -3.43 115.15 109.86 2d8r h HIS 63 Ca -0.00 -0.12 -0.52 0.00 -1.16 0.00 0.00 60.37 58.56 2d8r h HIS 63 Cb 0.21 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 2d8r h HIS 63 CO 0.00 0.88 -0.00 -0.06 0.86 0.00 0.00 177.93 179.61 2d8r s PHE 64 N -5.25 3.48 0.00 2.45 0.40 -0.83 -3.98 117.98 114.24 2d8r s PHE 64 Ca -0.11 1.11 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 2d8r s PHE 64 Cb 0.15 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 41.25 2d8r s PHE 64 CO 0.83 0.25 0.00 0.39 0.70 0.00 0.00 175.22 177.40 2d8r n GLU 65 N 0.12 0.00 0.00 0.44 1.02 -1.26 -4.98 120.64 115.98 2d8r n GLU 65 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2d8r n GLU 65 Cb 0.52 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 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 -3.00 0.75 0.34 0.62 0.00 -1.26 -4.87 120.51 113.08 2d8r n ALA 66 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2d8r n ALA 66 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.73 0.10 -0.08 0.00 7.64 -1.26 -1.47 113.62 116.81 2d8r n SER 67 Ca 0.00 0.53 0.15 0.00 1.01 0.00 0.00 58.87 60.56 2d8r n SER 67 Cb 0.00 -0.55 0.71 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.39 1.41 -0.71 0.00 0.08 -0.54 -0.29 117.98 115.53 2d8r s PHE 69 Ca 0.33 -0.86 -0.06 0.00 0.12 0.00 0.00 56.93 56.46 2d8r s PHE 69 Cb 0.20 -1.96 0.18 0.00 -0.57 0.00 0.00 43.02 40.88 2d8r s PHE 69 CO 0.45 -0.71 0.56 0.34 -0.10 0.00 0.00 175.22 175.75 2d8r s ASP 70 N -4.41 5.73 0.13 1.36 2.15 0.58 -4.59 116.67 117.63 2d8r s ASP 70 Ca 0.39 -2.88 -0.04 0.00 0.43 0.00 0.00 52.55 50.46 2d8r s ASP 70 Cb -0.03 -1.96 -0.08 0.00 -0.30 0.00 0.00 42.92 40.55 2d8r s ASP 70 CO 0.25 -0.41 1.32 -0.07 -0.17 0.00 0.00 175.17 176.09 2d8r h LEU 71 N 7.17 0.51 -3.37 -1.34 -0.00 -1.87 -3.25 115.31 113.16 2d8r h LEU 71 Ca 0.03 -0.40 -0.17 0.00 -0.00 0.00 0.00 57.88 57.35 2d8r h LEU 71 Cb 0.97 -0.16 -0.07 0.00 -0.00 0.00 0.00 40.66 41.41 2d8r h LEU 71 CO 0.73 1.20 0.13 1.07 -0.00 0.00 0.00 178.44 181.57 2d8r n THR 72 N -3.75 2.46 -2.78 0.22 5.66 -1.26 -4.13 114.28 110.71 2d8r n THR 72 Ca -0.06 -1.17 -0.10 0.00 -3.05 0.00 0.00 64.05 59.67 2d8r n THR 72 Cb 0.82 -1.50 0.06 0.00 -1.55 0.00 0.00 70.33 68.16 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 1.15 1.65 5.09 1.09 0.00 -1.23 -5.04 105.19 107.91 2d8r n GLY 73 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.11 0.00 -4.07 1.61 6.02 -1.26 -4.70 117.38 114.88 2d8r n GLN 74 Ca 0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.82 2d8r n GLN 74 Cb 0.78 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.97 2d8r n GLN 74 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2d8r s THR 75 N 0.00 2.36 -0.38 5.09 -1.32 -1.26 -5.04 115.64 115.09 2d8r s THR 75 Ca 0.00 -1.66 -0.26 0.00 -1.21 0.00 0.00 61.69 58.56 2d8r s THR 75 Cb 0.00 -3.00 0.02 0.00 -1.51 0.00 0.00 72.50 68.01 2d8r s THR 75 CO 0.00 -0.01 0.95 -0.13 -2.21 0.00 0.00 174.62 173.22 2d8r s ARG 76 N -3.93 3.82 -0.05 7.08 0.52 -1.25 -4.45 118.95 120.70 2d8r s ARG 76 Ca 0.42 0.58 0.04 0.00 -0.52 0.00 0.00 55.73 56.24 2d8r s ARG 76 Cb 0.03 -3.81 -0.00 0.00 0.52 0.00 0.00 34.95 31.68 2d8r s ARG 76 CO 0.23 -0.99 -0.17 1.03 0.02 0.00 0.00 175.30 175.42 2d8r s ARG 77 N 3.56 1.82 -0.08 3.54 0.52 -1.23 -4.78 118.95 122.31 2d8r s ARG 77 Ca 0.39 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.71 2d8r s ARG 77 Cb -0.12 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 33.72 2d8r s ARG 77 CO 0.20 0.22 2.04 -1.17 0.02 0.00 0.00 175.30 176.61 2d8r s LEU 78 N 0.11 4.00 0.14 2.53 1.98 -1.26 0.22 118.68 126.40 2d8r s LEU 78 Ca -0.05 2.29 -0.31 0.00 -2.89 0.00 0.00 54.13 53.16 2d8r s LEU 78 Cb -0.12 -3.52 -0.10 0.00 0.66 0.00 0.00 46.19 43.11 2d8r s LEU 78 CO 0.03 -1.43 1.62 -0.54 -1.89 0.00 0.00 176.35 174.14 2d8r s LYS 79 N 5.22 4.20 0.25 1.98 1.02 0.60 -4.84 119.74 128.17 2d8r s LYS 79 Ca 0.92 2.39 0.14 0.00 0.02 0.00 0.00 55.97 59.44 2d8r s LYS 79 Cb -0.38 -3.30 0.75 0.00 -0.52 0.00 0.00 37.83 34.39 2d8r s LYS 79 CO 0.38 -0.67 1.37 -1.33 -0.92 0.00 0.00 175.35 174.18 2d8r n MET 80 N 4.54 0.09 -1.18 1.68 2.81 -1.26 -0.50 117.12 123.29 2d8r n MET 80 Ca 0.15 0.56 -0.20 0.00 -1.81 0.00 0.00 57.70 56.40 2d8r n MET 80 Cb 0.39 -1.92 0.15 0.00 -0.71 0.00 0.00 33.22 31.13 2d8r n MET 80 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2d8r n ASP 81 N -2.00 4.21 -4.34 7.83 2.03 -1.26 -4.97 116.55 118.06 2d8r n ASP 81 Ca -0.01 -3.72 -0.19 0.00 0.52 0.00 0.00 54.79 51.39 2d8r n ASP 81 Cb 0.14 -0.77 -0.10 0.00 -0.72 0.00 0.00 41.12 39.67 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 -3.42 1.99 0.04 -1.67 0.00 0.34 -5.10 121.76 113.94 2d8r s ALA 82 Ca 0.54 -1.60 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2d8r s ALA 82 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2d8r s ALA 82 CO 0.04 0.11 -0.07 0.14 0.00 0.00 0.00 175.76 175.98 2d8r s VAL 83 N -2.73 0.49 -0.90 0.00 -7.23 -1.26 -4.97 120.40 103.80 2d8r s VAL 83 Ca 0.20 -1.16 -0.25 0.00 -1.81 0.00 0.00 61.98 58.97 2d8r s VAL 83 Cb -0.02 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 2d8r s VAL 83 CO 0.07 -0.46 1.95 -2.16 -0.31 0.00 0.00 175.10 174.18 2d8r s PRO 84 N -1.85 2.55 -0.17 4.82 0.04 -1.26 -4.79 135.00 134.34 2d8r s PRO 84 Ca -0.08 -0.29 0.03 0.00 0.04 0.00 0.00 61.00 60.70 2d8r s PRO 84 Cb -0.08 -5.06 0.30 0.00 0.04 0.00 0.00 34.50 29.70 2d8r s PRO 84 CO -0.01 -3.38 1.30 0.25 0.04 0.00 0.00 177.00 175.21 2d8r n THR 85 N 7.88 1.75 -3.75 1.26 -2.24 -1.26 -4.71 114.28 113.22 2d8r n THR 85 Ca 0.40 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2d8r n THR 85 Cb 0.47 -0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 67.88 2d8r n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2d8r s ILE 86 N -1.49 -0.03 0.13 2.28 1.01 -1.26 -5.02 121.20 116.83 2d8r s ILE 86 Ca 0.24 0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.75 2d8r s ILE 86 Cb 0.20 -0.34 0.08 0.00 0.01 0.00 0.00 42.46 42.40 2d8r s ILE 86 CO 0.05 0.04 1.04 -0.36 0.00 0.00 0.00 174.94 175.72 2d8r s PHE 87 N 0.92 -0.05 0.02 3.97 0.08 -1.26 -4.86 117.98 116.80 2d8r s PHE 87 Ca -0.07 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.74 2d8r s PHE 87 Cb -0.08 0.64 0.00 0.00 -0.57 0.00 0.00 43.02 43.01 2d8r s PHE 87 CO -0.06 -0.76 0.00 -0.25 -0.10 0.00 0.00 175.22 174.06 2d8r n ASP 88 N -0.71 -9.46 -4.34 1.36 8.00 -1.26 -4.86 116.55 105.29 2d8r n ASP 88 Ca -0.05 1.83 -0.39 0.00 0.71 0.00 0.00 54.79 56.88 2d8r n ASP 88 Cb 0.61 -5.14 0.01 0.00 -0.02 0.00 0.00 41.12 36.58 2d8r n ASP 88 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2d8r n PHE 89 N 1.80 -1.93 -2.94 1.24 -1.74 -1.26 -5.00 117.46 107.63 2d8r n PHE 89 Ca 0.00 0.50 0.00 0.00 -0.56 0.00 0.00 57.45 57.39 2d8r n PHE 89 Cb 0.00 -1.80 0.00 0.00 1.52 0.00 0.00 39.48 39.20 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2d8r n THR 91 N 0.00-11.35 -1.01 0.00 -1.04 -1.26 -4.99 114.28 94.62 2d8r n THR 91 Ca 0.00 2.94 0.00 0.00 -2.04 0.00 0.00 64.05 64.95 2d8r n THR 91 Cb 0.00 -4.88 0.00 0.00 -1.82 0.00 0.00 70.33 63.63 2d8r n THR 91 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2d8r n HIS 92 N 1.51 -0.67 -3.01 -1.42 -0.00 -1.26 -4.98 115.22 105.40 2d8r n HIS 92 Ca 0.00 0.40 -0.40 0.00 -0.00 0.00 0.00 57.72 57.72 2d8r n HIS 92 Cb 0.00 -2.25 -0.05 0.00 -0.00 0.00 0.00 29.99 27.70 2d8r n HIS 92 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2d8r s ILE 93 N -0.08 5.01 0.23 3.57 -1.09 -1.26 -4.93 121.20 122.66 2d8r s ILE 93 Ca 0.00 1.48 0.33 0.00 -2.23 0.00 0.00 60.65 60.23 2d8r s ILE 93 Cb 0.00 -4.06 0.34 0.00 -1.58 0.00 0.00 42.46 37.16 2d8r s ILE 93 CO 0.00 0.20 2.02 0.77 -1.23 0.00 0.00 174.94 176.71 2d8r h SER 94 N 6.90 0.00 0.00 3.58 4.64 -2.01 -3.46 113.55 123.20 2d8r h SER 94 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2d8r h SER 94 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2d8r h SER 94 CO 0.77 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 2d8r n GLY 95 N -1.14 1.76 3.77 -0.77 0.00 -1.26 -5.10 105.19 102.45 2d8r n GLY 95 Ca -0.02 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 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 4.11 0.00 1.61 0.04 -1.26 -4.70 135.00 134.80 2d8r s PRO 96 Ca 0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2d8r s PRO 96 Cb 0.00 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2d8r s PRO 96 CO 0.00 -0.29 0.00 0.45 0.04 0.00 0.00 177.00 177.20 2d8r n SER 97 N 0.23 0.00 -2.06 6.66 2.88 -1.26 -5.00 113.62 115.07 2d8r n SER 97 Ca 0.03 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.42 2d8r n SER 97 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 -4.30 -0.28 -3.46 7.64 -1.26 -5.28 113.62 106.68 2d8r n SER 98 Ca 0.00 0.22 0.04 0.00 1.01 0.00 0.00 58.87 60.13 2d8r n SER 98 Cb 0.00 -3.74 0.03 0.00 -1.01 0.00 0.00 64.21 59.49 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64