#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 1.37 -4.43 1.61 2.88 -1.26 -5.01 113.62 108.78 2d8r n SER 2 Ca 0.00 -2.67 -0.42 0.00 -1.33 0.00 0.00 58.87 54.46 2d8r n SER 2 Cb 0.00 -0.34 -0.11 0.00 -0.75 0.00 0.00 64.21 63.01 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 -2.13 5.93 -0.30 -3.46 0.01 -1.26 -5.02 113.70 107.47 2d8r s SER 3 Ca 0.20 -0.90 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 2d8r s SER 3 Cb 0.18 -2.10 0.16 0.00 0.21 0.00 0.00 66.02 64.47 2d8r s SER 3 CO 0.01 -0.40 0.77 -0.83 0.41 0.00 0.00 173.24 173.20 2d8r s GLY 4 N 1.63 -0.59 0.00 3.44 0.00 -1.26 -5.07 107.32 105.46 2d8r s GLY 4 Ca 0.04 2.49 0.00 0.00 0.00 0.00 0.00 44.72 47.25 2d8r s GLY 4 CO 0.09 3.24 0.00 -1.14 0.00 0.00 0.00 173.10 175.29 2d8r n SER 5 N 5.31 0.00 -3.98 1.64 3.41 -1.26 -5.17 113.62 113.57 2d8r n SER 5 Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 2d8r n SER 5 Cb 0.51 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 2d8r n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d8r s SER 6 N 2.00 0.07 0.00 4.04 0.01 -1.26 -5.09 113.70 113.47 2d8r s SER 6 Ca 0.00 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2d8r s SER 6 Cb 0.00 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2d8r s SER 6 CO 0.00 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2d8r n GLY 7 N -0.20 0.31 1.44 3.44 0.00 -1.26 -5.12 105.19 103.81 2d8r n GLY 7 Ca -0.07 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2d8r n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d8r n MET 8 N 0.00 -4.01 -1.07 1.61 0.00 -1.26 -4.97 117.12 107.43 2d8r n MET 8 Ca 0.00 3.03 -0.30 0.00 0.00 0.00 0.00 57.70 60.43 2d8r n MET 8 Cb 0.00 -3.56 0.25 0.00 0.00 0.00 0.00 33.22 29.91 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 -4.49 -1.55 0.68 0.03 0.04 -1.26 -4.98 135.00 123.47 2d8r s PRO 9 Ca 0.00 -0.18 -0.17 0.00 0.04 0.00 0.00 61.00 60.68 2d8r s PRO 9 Cb 0.00 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.98 2d8r s PRO 9 CO 0.00 -3.91 1.26 2.41 0.04 0.00 0.00 177.00 176.81 2d8r n THR 10 N -4.87 4.39 -3.93 1.26 -1.04 -1.26 -5.03 114.28 103.79 2d8r n THR 10 Ca 0.15 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.05 61.63 2d8r n THR 10 Cb 0.60 -1.42 -0.04 0.00 -1.82 0.00 0.00 70.33 67.64 2d8r n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2d8r s ASN 11 N -1.51 -0.16 0.18 8.00 2.20 -1.26 -4.96 114.94 117.43 2d8r s ASN 11 Ca 0.81 -0.79 -0.19 0.00 -0.94 0.00 0.00 52.86 51.74 2d8r s ASN 11 Cb -0.37 0.64 -0.12 0.00 -2.00 0.00 0.00 41.25 39.40 2d8r s ASN 11 CO 0.42 -1.21 0.31 0.00 -2.94 0.00 0.00 177.10 173.68 2d8r h ALA 13 N 0.62 -0.03 -1.24 0.00 0.00 -1.86 -3.47 119.26 113.28 2d8r h ALA 13 Ca -0.22 -0.74 -0.63 0.00 0.00 0.00 0.00 54.91 53.32 2d8r h ALA 13 Cb 1.06 0.11 0.13 0.00 0.00 0.00 0.00 17.79 19.08 2d8r h ALA 13 CO 0.40 0.58 -0.68 0.00 0.00 0.00 0.00 179.25 179.55 2d8r n ALA 14 N -2.67 -2.88 -1.00 0.00 0.00 -1.26 -4.92 120.51 107.78 2d8r n ALA 14 Ca -0.14 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2d8r n ALA 14 Cb 0.92 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.40 0.00 -2.91 0.00 0.00 -1.25 -4.31 120.51 111.63 2d8r n ALA 15 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.15 2d8r n ALA 15 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 2d8r n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2d8r s GLY 16 N 0.00 1.60 0.25 0.00 0.00 -1.26 -4.65 107.32 103.26 2d8r s GLY 16 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.54 2d8r s GLY 16 CO 0.00 1.98 0.00 0.00 0.00 0.00 0.00 173.10 175.08 2d8r n ALA 18 N -3.36 -2.86 -3.66 0.00 0.00 -1.26 -5.10 120.51 104.28 2d8r n ALA 18 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.66 2d8r n ALA 18 Cb 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.61 -0.65 -0.02 0.00 2.01 -1.26 -5.07 115.64 109.03 2d8r s THR 19 Ca 0.06 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 2d8r s THR 19 Cb -0.02 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 2d8r s THR 19 CO 0.21 0.04 -0.08 0.41 -0.69 0.00 0.00 174.62 174.51 2d8r n THR 20 N 5.20 0.54 0.00 -0.82 -1.04 -1.26 -2.03 114.28 114.88 2d8r n THR 20 Ca -0.12 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2d8r n THR 20 Cb 0.51 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2d8r n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d8r n TYR 21 N -3.10 -0.02 -2.76 -1.42 4.19 -1.26 -4.86 117.16 107.93 2d8r n TYR 21 Ca -0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.18 2d8r n TYR 21 Cb 0.11 0.06 0.00 0.00 0.49 0.00 0.00 39.34 40.01 2d8r n TYR 21 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2d8r n ASN 22 N -1.63 -5.59 0.00 2.98 3.02 -1.26 -4.41 115.26 108.37 2d8r n ASN 22 Ca 0.00 0.36 0.10 0.00 -0.03 0.00 0.00 54.58 55.02 2d8r n ASN 22 Cb 0.00 -1.33 0.48 0.00 -0.61 0.00 0.00 39.78 38.33 2d8r n ASN 22 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d8r n LYS 23 N 1.23 0.11 0.00 3.52 5.02 -1.26 -1.88 118.16 124.90 2d8r n LYS 23 Ca 0.00 0.12 0.15 0.00 -2.02 0.00 0.00 58.31 56.56 2d8r n LYS 23 Cb 0.40 -1.50 0.82 0.00 -0.02 0.00 0.00 35.03 34.73 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 -1.42 0.00 0.00 2.13 -0.00 -1.26 -4.18 115.22 110.49 2d8r n HIS 24 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2d8r n HIS 24 Cb 0.22 -0.16 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 2d8r n HIS 24 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2d8r n ILE 25 N -1.14 0.00 -1.44 3.57 -0.00 -1.05 -5.05 119.36 114.26 2d8r n ILE 25 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.93 2d8r n ILE 25 Cb 0.19 -0.70 0.00 0.00 -0.00 0.00 0.00 39.64 39.14 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 -2.45 -1.97 -3.95 4.38 3.02 -0.79 -4.97 115.26 108.54 2d8r n ASN 26 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2d8r n ASN 26 Cb 0.23 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 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 -3.42 1.13 -1.14 2.41 5.41 -1.26 -4.89 119.36 117.60 2d8r n ILE 27 Ca 0.00 -0.45 -0.30 0.00 1.00 0.00 0.00 62.75 63.00 2d8r n ILE 27 Cb 0.23 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.31 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 -0.91 3.22 -0.28 4.38 0.01 -1.26 -4.93 113.70 113.93 2d8r s SER 28 Ca 0.56 1.50 0.02 0.00 1.31 0.00 0.00 55.95 59.34 2d8r s SER 28 Cb -0.70 -2.17 0.08 0.00 0.21 0.00 0.00 66.02 63.44 2d8r s SER 28 CO 0.54 -2.80 -0.02 -0.36 0.41 0.00 0.00 173.24 171.01 2d8r s PHE 29 N -2.89 3.05 -0.37 2.43 0.40 -1.26 -3.85 117.98 115.49 2d8r s PHE 29 Ca 0.64 -2.34 -0.04 0.00 -0.60 0.00 0.00 56.93 54.59 2d8r s PHE 29 Cb -0.19 -2.14 0.08 0.00 0.51 0.00 0.00 43.02 41.29 2d8r s PHE 29 CO 0.57 -0.87 0.14 -1.01 0.70 0.00 0.00 175.22 174.75 2d8r s HIS 30 N 1.16 3.42 0.68 0.36 3.76 -0.92 -4.96 115.29 118.79 2d8r s HIS 30 Ca 0.00 -2.01 -0.11 0.00 -0.15 0.00 0.00 55.06 52.79 2d8r s HIS 30 Cb -0.19 -2.75 -0.01 0.00 1.11 0.00 0.00 32.58 30.75 2d8r s HIS 30 CO -0.08 -0.88 1.05 -0.98 -0.85 0.00 0.00 174.74 173.01 2d8r s ARG 31 N 1.25 3.12 0.95 1.40 3.03 -1.26 -0.92 118.95 126.51 2d8r s ARG 31 Ca 0.02 0.81 -0.13 0.00 2.03 0.00 0.00 55.73 58.46 2d8r s ARG 31 Cb -0.22 -2.02 0.01 0.00 -1.03 0.00 0.00 34.95 31.70 2d8r s ARG 31 CO -0.02 -0.93 0.29 1.19 -1.13 0.00 0.00 175.30 174.70 2d8r n PHE 32 N -3.00 -1.81 -1.13 5.89 3.01 -1.24 -4.90 117.46 114.29 2d8r n PHE 32 Ca 0.07 0.21 -0.29 0.00 1.01 0.00 0.00 57.45 58.45 2d8r n PHE 32 Cb 0.54 -1.75 0.21 0.00 -0.01 0.00 0.00 39.48 38.46 2d8r n PHE 32 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2d8r s PRO 33 N -3.44 -0.32 0.00 -1.08 0.04 -1.26 -4.99 135.00 123.95 2d8r s PRO 33 Ca 0.55 0.26 0.09 0.00 0.04 0.00 0.00 61.00 61.94 2d8r s PRO 33 Cb -0.21 -1.67 0.10 0.00 0.04 0.00 0.00 34.50 32.75 2d8r s PRO 33 CO 0.69 -3.18 0.85 1.28 0.04 0.00 0.00 177.00 176.68 2d8r n LEU 34 N -4.44 1.90 -4.69 -3.56 7.99 -1.26 -4.80 117.00 108.14 2d8r n LEU 34 Ca 0.08 -1.15 -0.29 0.00 -0.01 0.00 0.00 56.01 54.64 2d8r n LEU 34 Cb 0.58 -0.03 -0.08 0.00 -0.11 0.00 0.00 43.42 43.79 2d8r n LEU 34 CO 0.52 0.40 -0.32 -1.81 -1.51 0.00 0.00 177.39 174.67 2d8r s ASP 35 N -0.79 5.01 0.37 -1.43 1.11 -1.26 -5.01 116.67 114.67 2d8r s ASP 35 Ca 0.12 -0.22 0.28 0.00 0.18 0.00 0.00 52.55 52.90 2d8r s ASP 35 Cb 0.08 -1.18 1.15 0.00 1.07 0.00 0.00 42.92 44.04 2d8r s ASP 35 CO 0.12 0.15 1.82 1.55 1.18 0.00 0.00 175.17 179.99 2d8r h PRO 36 N 3.20 0.00 0.04 8.23 0.13 -1.99 -1.24 132.00 140.37 2d8r h PRO 36 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2d8r h PRO 36 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2d8r h PRO 36 CO 0.60 0.00 -0.26 0.87 -0.23 0.00 0.00 178.00 178.98 2d8r h LYS 37 N 0.00 0.11 -0.05 0.86 1.79 -2.01 -3.27 116.57 114.00 2d8r h LYS 37 Ca 0.00 -0.17 -0.20 0.00 -2.18 0.00 0.00 60.65 58.11 2d8r h LYS 37 Cb 0.41 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2d8r h LYS 37 CO 0.00 1.04 -0.73 0.00 -1.08 0.00 0.00 179.45 178.68 2d8r h ARG 38 N -0.73 0.59 -0.64 3.15 2.47 -1.92 -3.24 114.38 114.05 2d8r h ARG 38 Ca -0.04 -0.56 0.12 0.00 -1.26 0.00 0.00 59.98 58.24 2d8r h ARG 38 Cb 1.16 0.14 -0.12 0.00 -1.65 0.00 0.00 29.97 29.50 2d8r h ARG 38 CO 0.05 1.18 -0.26 -0.09 0.56 0.00 0.00 179.97 181.41 2d8r h ARG 39 N 0.20 -0.09 -0.36 0.04 2.43 -1.38 0.59 114.38 115.82 2d8r h ARG 39 Ca -0.08 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2d8r h ARG 39 Cb 1.40 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 2d8r h ARG 39 CO 0.15 -0.06 0.24 0.87 -1.51 0.00 0.00 179.97 179.66 2d8r h LYS 40 N -0.09 0.40 0.36 0.20 1.57 -1.64 -0.28 116.57 117.09 2d8r h LYS 40 Ca 0.28 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2d8r h LYS 40 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2d8r h LYS 40 CO -0.70 0.27 -0.17 0.93 -0.57 0.00 0.00 179.45 179.20 2d8r h GLU 41 N 0.41 -0.47 -0.77 3.15 3.07 -0.04 -1.22 114.58 118.72 2d8r h GLU 41 Ca 0.14 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.16 2d8r h GLU 41 Cb 0.06 0.11 -0.09 0.00 -0.84 0.00 0.00 28.75 27.99 2d8r h GLU 41 CO -0.03 -0.26 0.36 -1.49 -1.40 0.00 0.00 179.01 176.19 2d8r h TRP 42 N -1.10 0.63 0.00 4.33 4.06 -0.39 0.62 115.95 124.10 2d8r h TRP 42 Ca -0.05 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 2d8r h TRP 42 Cb 0.43 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2d8r h TRP 42 CO 0.01 0.16 -0.42 0.28 -3.56 0.00 0.00 178.44 174.91 2d8r h VAL 43 N 0.55 1.20 0.00 1.49 2.07 -1.13 -0.93 116.25 119.50 2d8r h VAL 43 Ca 0.40 -1.50 -0.19 0.00 0.82 0.00 0.00 66.70 66.23 2d8r h VAL 43 Cb 0.54 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2d8r h VAL 43 CO -0.34 0.41 -0.98 -0.09 0.02 0.00 0.00 177.57 176.59 2d8r h ARG 44 N 0.00 0.00 0.00 1.57 2.43 0.43 -2.43 114.38 116.38 2d8r h ARG 44 Ca -0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 2d8r h ARG 44 Cb 0.80 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 2d8r h ARG 44 CO 0.05 0.78 -0.99 -0.07 -1.51 0.00 0.00 179.97 178.23 2d8r h LEU 45 N 0.00 0.00 0.00 3.80 3.38 0.33 -3.28 115.31 119.54 2d8r h LEU 45 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2d8r h LEU 45 Cb 1.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2d8r h LEU 45 CO 0.10 0.85 -0.88 1.62 0.09 0.00 0.00 178.44 180.22 2d8r h VAL 46 N 0.00 0.55 -6.37 1.22 3.04 -1.24 -3.48 116.25 109.97 2d8r h VAL 46 Ca -0.05 -1.89 -0.37 0.00 -1.01 0.00 0.00 66.70 63.38 2d8r h VAL 46 Cb 1.69 2.12 0.01 0.00 -2.01 0.00 0.00 31.29 33.10 2d8r h VAL 46 CO 0.10 0.31 -0.80 0.54 -1.01 0.00 0.00 177.57 176.71 2d8r n ARG 47 N -3.02 -1.40 -1.11 4.17 5.12 -0.92 -3.84 116.66 115.67 2d8r n ARG 47 Ca -0.03 0.89 -0.15 0.00 -1.93 0.00 0.00 57.85 56.63 2d8r n ARG 47 Cb 0.74 -3.32 0.16 0.00 -1.16 0.00 0.00 32.46 28.88 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 -2.65 2.22 -2.01 5.56 3.00 -1.26 -4.80 116.66 116.73 2d8r n ARG 48 Ca -0.21 -3.27 -0.03 0.00 -0.01 0.00 0.00 57.85 54.33 2d8r n ARG 48 Cb 0.63 -2.02 0.01 0.00 0.00 0.00 0.00 32.46 31.09 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 -1.07 -0.58 -2.50 5.56 3.00 -1.26 -3.49 118.16 117.82 2d8r n LYS 49 Ca 0.45 0.48 -0.03 0.00 -0.00 0.00 0.00 58.31 59.21 2d8r n LYS 49 Cb 1.14 -2.82 -0.01 0.00 0.00 0.00 0.00 35.03 33.34 2d8r n LYS 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2d8r n ASN 50 N -1.71 -0.98 -4.08 3.14 5.15 -1.26 -4.85 115.26 110.67 2d8r n ASN 50 Ca -0.01 0.33 -0.29 0.00 -0.60 0.00 0.00 54.58 54.01 2d8r n ASN 50 Cb 0.52 -0.97 0.24 0.00 -0.53 0.00 0.00 39.78 39.04 2d8r n ASN 50 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2d8r s PHE 51 N -1.94 0.82 0.03 1.20 -0.71 -1.23 -5.07 117.98 111.08 2d8r s PHE 51 Ca 0.06 0.74 0.05 0.00 -1.04 0.00 0.00 56.93 56.74 2d8r s PHE 51 Cb -0.04 -3.24 -0.02 0.00 -1.21 0.00 0.00 43.02 38.52 2d8r s PHE 51 CO 0.08 -3.87 -0.14 0.08 -1.34 0.00 0.00 175.22 170.02 2d8r s VAL 52 N -2.76 1.10 0.42 -2.49 1.01 -1.26 -4.96 120.40 111.46 2d8r s VAL 52 Ca 0.69 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 2d8r s VAL 52 Cb -0.15 -0.99 -0.08 0.00 0.00 0.00 0.00 36.38 35.16 2d8r s VAL 52 CO 0.58 0.04 1.18 -2.16 0.00 0.00 0.00 175.10 174.74 2d8r s PRO 53 N -1.04 3.95 0.00 2.72 0.04 -1.26 -5.00 135.00 134.41 2d8r s PRO 53 Ca 0.02 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2d8r s PRO 53 Cb -0.08 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2d8r s PRO 53 CO 0.01 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.05 2d8r n GLY 54 N 0.58 0.30 1.72 0.56 0.00 -1.26 -5.10 105.19 101.99 2d8r n GLY 54 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.82 0.00 -0.22 1.61 4.81 -1.26 -4.92 118.16 117.35 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 0.30 0.00 0.02 0.00 0.00 35.03 35.35 2d8r n LYS 55 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2d8r h HIS 56 N 0.00 0.88 -0.08 5.64 -0.00 -2.03 -3.42 115.15 116.15 2d8r h HIS 56 Ca 0.00 0.02 -0.49 0.00 -0.00 0.00 0.00 60.37 59.90 2d8r h HIS 56 Cb 0.00 -0.29 -0.09 0.00 -0.00 0.00 0.00 27.41 27.03 2d8r h HIS 56 CO 0.00 0.49 1.76 2.41 -0.00 0.00 0.00 177.93 182.59 2d8r n THR 57 N -4.47 -0.00 -4.54 2.45 -1.04 -1.26 -4.86 114.28 100.56 2d8r n THR 57 Ca 0.11 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.05 61.81 2d8r n THR 57 Cb 0.17 -0.60 -0.11 0.00 -1.82 0.00 0.00 70.33 67.97 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 8.85 2.21 0.03 -1.42 -0.71 -1.26 -3.58 117.98 122.09 2d8r s PHE 58 Ca 1.34 -0.84 0.04 0.00 -1.04 0.00 0.00 56.93 56.43 2d8r s PHE 58 Cb -1.19 -1.51 -0.02 0.00 -1.21 0.00 0.00 43.02 39.09 2d8r s PHE 58 CO 0.48 0.20 -0.13 -0.51 -1.34 0.00 0.00 175.22 173.93 2d8r s LEU 59 N -3.60 2.13 0.97 -1.99 1.43 -0.09 -2.64 118.68 114.89 2d8r s LEU 59 Ca 0.35 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 2d8r s LEU 59 Cb 0.09 -0.56 0.17 0.00 0.03 0.00 0.00 46.19 45.92 2d8r s LEU 59 CO 0.16 0.05 1.08 0.00 0.23 0.00 0.00 176.35 177.87 2d8r h SER 61 N -1.89 0.22 -1.73 0.00 4.64 -1.92 -3.32 113.55 109.55 2d8r h SER 61 Ca -0.52 -0.91 0.52 0.00 -0.47 0.00 0.00 61.79 60.41 2d8r h SER 61 Cb 1.30 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 63.22 2d8r h SER 61 CO 0.52 1.28 1.21 0.29 -0.87 0.00 0.00 176.83 179.26 2d8r n LYS 62 N -4.32 -0.01 0.21 4.77 4.01 -1.26 0.36 118.16 121.91 2d8r n LYS 62 Ca -0.16 1.09 -0.15 0.00 -0.51 0.00 0.00 58.31 58.59 2d8r n LYS 62 Cb 0.68 -2.40 -0.07 0.00 -0.51 0.00 0.00 35.03 32.73 2d8r n LYS 62 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2d8r h HIS 63 N 0.00 -0.82 -4.17 2.13 3.86 -1.97 -3.43 115.15 110.76 2d8r h HIS 63 Ca 0.89 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 59.59 2d8r h HIS 63 Cb 3.36 0.32 0.12 0.00 1.06 0.00 0.00 27.41 32.26 2d8r h HIS 63 CO -0.00 -0.44 0.40 -0.06 0.86 0.00 0.00 177.93 178.68 2d8r s PHE 64 N -6.04 2.42 0.00 2.45 0.40 0.16 -4.33 117.98 113.04 2d8r s PHE 64 Ca -0.16 1.56 0.00 0.00 -0.60 0.00 0.00 56.93 57.73 2d8r s PHE 64 Cb 0.06 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.28 2d8r s PHE 64 CO 0.64 -2.02 0.00 0.39 0.70 0.00 0.00 175.22 174.92 2d8r n GLU 65 N -2.30 0.00 0.00 0.44 1.02 -1.26 -5.01 120.64 113.53 2d8r n GLU 65 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2d8r n GLU 65 Cb 0.51 -0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 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 0.85 0.44 0.62 0.00 -1.26 -4.86 120.51 113.30 2d8r n ALA 66 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2d8r n ALA 66 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.47 0.00 -0.13 0.00 7.64 -1.26 -1.55 113.62 116.86 2d8r n SER 67 Ca 0.00 0.33 0.14 0.00 1.01 0.00 0.00 58.87 60.35 2d8r n SER 67 Cb 0.00 -0.40 0.62 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.44 1.80 -1.14 0.00 0.08 -0.59 -1.60 117.98 114.10 2d8r s PHE 69 Ca 0.30 -0.72 -0.05 0.00 0.12 0.00 0.00 56.93 56.58 2d8r s PHE 69 Cb 0.20 -2.08 0.27 0.00 -0.57 0.00 0.00 43.02 40.84 2d8r s PHE 69 CO 0.46 -0.63 1.63 -3.47 -0.10 0.00 0.00 175.22 173.11 2d8r n ASP 70 N -1.89 6.12 0.36 1.36 -0.08 0.16 -4.75 116.55 117.83 2d8r n ASP 70 Ca 0.06 -3.34 -0.14 0.00 -1.51 0.00 0.00 54.79 49.86 2d8r n ASP 70 Cb 0.63 -1.33 -0.07 0.00 2.34 0.00 0.00 41.12 42.69 2d8r n ASP 70 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2d8r h LEU 71 N 6.07 -0.78 -0.94 -2.67 -0.00 -1.86 -2.62 115.31 112.51 2d8r h LEU 71 Ca 0.28 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.27 2d8r h LEU 71 Cb 0.60 0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.45 2d8r h LEU 71 CO 1.42 -0.50 0.84 0.00 -0.00 0.00 0.00 178.44 180.20 2d8r h THR 72 N -1.03 0.05 0.00 0.22 1.03 -1.94 -3.36 112.91 107.87 2d8r h THR 72 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 2d8r h THR 72 Cb 0.70 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 2d8r h THR 72 CO 0.15 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 2d8r n GLY 73 N -1.49 -0.06 0.36 2.99 0.00 -0.99 -5.04 105.19 100.96 2d8r n GLY 73 Ca 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 2d8r n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d8r n GLN 74 N 0.00 0.11 -4.29 1.61 10.64 -1.26 -5.07 117.38 119.12 2d8r n GLN 74 Ca 0.00 0.03 -0.20 0.00 -1.83 0.00 0.00 57.00 55.00 2d8r n GLN 74 Cb 0.00 -0.92 -0.11 0.00 -0.86 0.00 0.00 30.24 28.34 2d8r n GLN 74 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2d8r s THR 75 N -2.09 1.62 -0.89 -0.39 -1.32 -1.26 -5.05 115.64 106.26 2d8r s THR 75 Ca -0.06 -1.81 -0.25 0.00 -1.21 0.00 0.00 61.69 58.36 2d8r s THR 75 Cb 0.02 -1.70 -0.05 0.00 -1.51 0.00 0.00 72.50 69.26 2d8r s THR 75 CO 0.10 -0.33 1.96 -0.60 -2.21 0.00 0.00 174.62 173.54 2d8r s ARG 76 N -2.67 2.52 -0.13 7.08 3.52 -1.26 -4.27 118.95 123.74 2d8r s ARG 76 Ca 0.12 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.49 2d8r s ARG 76 Cb -0.06 -5.03 -0.02 0.00 -1.56 0.00 0.00 34.95 28.29 2d8r s ARG 76 CO 0.05 -3.39 -0.10 1.03 -0.81 0.00 0.00 175.30 172.08 2d8r s ARG 77 N 7.08 3.40 -0.18 5.12 0.52 -1.26 -4.77 118.95 128.86 2d8r s ARG 77 Ca 0.71 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 55.00 2d8r s ARG 77 Cb -0.07 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 2d8r s ARG 77 CO 0.00 0.27 1.76 -1.17 0.02 0.00 0.00 175.30 176.18 2d8r s LEU 78 N 0.24 3.91 0.49 2.53 1.98 -1.26 0.40 118.68 126.98 2d8r s LEU 78 Ca -0.07 1.83 -0.22 0.00 -2.89 0.00 0.00 54.13 52.78 2d8r s LEU 78 Cb -0.15 -3.53 -0.07 0.00 0.66 0.00 0.00 46.19 43.11 2d8r s LEU 78 CO 0.04 -1.33 1.17 -0.54 -1.89 0.00 0.00 176.35 173.80 2d8r s LYS 79 N 4.89 3.58 0.26 1.98 1.02 -0.62 -4.93 119.74 125.92 2d8r s LYS 79 Ca 0.78 1.77 -0.04 0.00 0.02 0.00 0.00 55.97 58.51 2d8r s LYS 79 Cb -0.29 -2.28 0.35 0.00 -0.52 0.00 0.00 37.83 35.10 2d8r s LYS 79 CO 0.32 -0.70 1.90 0.52 -0.92 0.00 0.00 175.35 176.47 2d8r h MET 80 N 1.75 1.20 -0.98 1.68 2.86 -1.93 -0.71 114.93 118.81 2d8r h MET 80 Ca -0.50 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 56.95 2d8r h MET 80 Cb 1.26 -0.27 -0.07 0.00 0.06 0.00 0.00 31.60 32.57 2d8r h MET 80 CO 0.59 0.80 0.15 -0.25 1.06 0.00 0.00 176.91 179.26 2d8r n ASP 81 N -4.46 3.05 -4.44 1.22 9.92 -1.26 -4.82 116.55 115.75 2d8r n ASP 81 Ca 0.14 -2.43 -0.35 0.00 -0.53 0.00 0.00 54.79 51.63 2d8r n ASP 81 Cb 0.12 -0.59 -0.13 0.00 -0.64 0.00 0.00 41.12 39.89 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 -1.06 2.99 0.12 2.24 0.00 -0.27 -5.11 121.76 120.67 2d8r s ALA 82 Ca 0.16 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.24 2d8r s ALA 82 Cb 0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2d8r s ALA 82 CO 0.03 -0.08 -0.14 0.14 0.00 0.00 0.00 175.76 175.71 2d8r s VAL 83 N 0.87 3.07 -0.86 0.00 -7.23 -1.26 -4.90 120.40 110.09 2d8r s VAL 83 Ca 0.00 -1.45 -0.25 0.00 -1.81 0.00 0.00 61.98 58.48 2d8r s VAL 83 Cb -0.14 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2d8r s VAL 83 CO 0.02 0.07 1.93 -2.16 -0.31 0.00 0.00 175.10 174.66 2d8r s PRO 84 N -2.26 2.57 -0.21 4.82 0.04 -1.26 -4.84 135.00 133.86 2d8r s PRO 84 Ca 0.20 -0.17 -0.04 0.00 0.04 0.00 0.00 61.00 61.03 2d8r s PRO 84 Cb -0.10 -4.97 -0.06 0.00 0.04 0.00 0.00 34.50 29.41 2d8r s PRO 84 CO 0.12 -3.29 2.93 0.25 0.04 0.00 0.00 177.00 177.05 2d8r n THR 85 N 7.79 2.97 0.00 1.26 -2.24 -1.26 -4.48 114.28 118.32 2d8r n THR 85 Ca 0.37 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 2d8r n THR 85 Cb 0.48 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 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 1.52 0.00 -2.47 2.28 5.41 -1.26 -4.92 119.36 119.92 2d8r n ILE 86 Ca 0.39 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 64.13 2d8r n ILE 86 Cb 0.69 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.62 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 0.00 -3.29 -1.56 1.39 3.72 -1.26 -4.71 117.46 111.75 2d8r n PHE 87 Ca 0.00 1.50 -0.13 0.00 -0.05 0.00 0.00 57.45 58.77 2d8r n PHE 87 Cb 0.00 -3.54 -0.09 0.00 -0.94 0.00 0.00 39.48 34.91 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2d8r n ASP 88 N 0.64 1.49 -3.90 4.37 8.00 -1.26 -4.81 116.55 121.09 2d8r n ASP 88 Ca -0.03 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 2d8r n ASP 88 Cb 0.04 -1.67 0.00 0.00 -0.02 0.00 0.00 41.12 39.48 2d8r n ASP 88 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2d8r n PHE 89 N 19.01 3.30 -1.68 1.24 -0.00 -1.26 -4.63 117.46 133.43 2d8r n PHE 89 Ca 0.44 -2.88 -0.00 0.00 -0.00 0.00 0.00 57.45 55.01 2d8r n PHE 89 Cb 0.44 -2.15 -0.00 0.00 -0.00 0.00 0.00 39.48 37.77 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2d8r n THR 91 N 0.18 0.71 -4.18 0.00 -2.24 -1.26 -4.99 114.28 102.49 2d8r n THR 91 Ca -0.03 -0.86 -0.11 0.00 -2.27 0.00 0.00 64.05 60.78 2d8r n THR 91 Cb 0.05 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 2d8r n THR 91 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2d8r s HIS 92 N -1.07 1.04 -0.47 4.78 2.46 -1.26 -5.12 115.29 115.65 2d8r s HIS 92 Ca 0.27 -1.30 -0.24 0.00 0.47 0.00 0.00 55.06 54.26 2d8r s HIS 92 Cb 0.15 -0.54 0.03 0.00 -0.13 0.00 0.00 32.58 32.09 2d8r s HIS 92 CO 0.21 -0.57 0.87 0.96 -2.47 0.00 0.00 174.74 173.74 2d8r s ILE 93 N -4.09 4.53 -0.18 0.89 -4.36 -1.26 -4.97 121.20 111.75 2d8r s ILE 93 Ca 0.32 0.53 -0.32 0.00 -0.26 0.00 0.00 60.65 60.92 2d8r s ILE 93 Cb 0.07 -4.41 0.14 0.00 1.25 0.00 0.00 42.46 39.52 2d8r s ILE 93 CO 0.07 -0.84 1.16 -0.94 0.24 0.00 0.00 174.94 174.64 2d8r s SER 94 N 2.31 -0.19 1.12 4.36 1.04 -1.26 -5.18 113.70 115.91 2d8r s SER 94 Ca 0.33 0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.68 2d8r s SER 94 Cb -0.11 0.18 0.25 0.00 0.10 0.00 0.00 66.02 66.44 2d8r s SER 94 CO 0.24 -0.25 1.17 -0.83 0.98 0.00 0.00 173.24 174.54 2d8r s GLY 95 N -1.73 1.63 -0.07 7.32 0.00 -1.26 -4.96 107.32 108.26 2d8r s GLY 95 Ca 0.06 -0.97 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 2d8r s GLY 95 CO -0.04 -0.14 1.50 2.56 0.00 0.00 0.00 173.10 176.97 2d8r s PRO 96 N -5.51 4.22 -0.14 2.90 0.04 -1.26 -5.01 135.00 130.24 2d8r s PRO 96 Ca 0.71 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.70 2d8r s PRO 96 Cb -0.09 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 2d8r s PRO 96 CO 0.55 -0.75 0.11 -1.54 0.04 0.00 0.00 177.00 175.41 2d8r s SER 97 N 2.66 6.09 0.49 6.66 1.04 -1.26 -5.08 113.70 124.29 2d8r s SER 97 Ca 0.67 0.33 -0.23 0.00 0.48 0.00 0.00 55.95 57.20 2d8r s SER 97 Cb -0.30 -1.97 -0.07 0.00 0.10 0.00 0.00 66.02 63.78 2d8r s SER 97 CO 0.25 0.33 1.22 -0.94 0.98 0.00 0.00 173.24 175.09 2d8r s SER 98 N -0.58 5.90 0.00 7.02 1.04 -1.26 -5.02 113.70 120.80 2d8r s SER 98 Ca 0.12 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.99 2d8r s SER 98 Cb -0.12 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2d8r s SER 98 CO 0.02 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.74