#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 0.06 -3.16 1.61 3.41 -1.26 -5.03 113.62 109.25 2d8r n SER 2 Ca 0.00 -1.02 -0.15 0.00 -0.26 0.00 0.00 58.87 57.44 2d8r n SER 2 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 2d8r n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2d8r n SER 3 N -0.01 -2.97 -0.22 4.04 2.88 -1.26 -4.94 113.62 111.14 2d8r n SER 3 Ca 0.00 -0.58 0.09 0.00 -1.33 0.00 0.00 58.87 57.05 2d8r n SER 3 Cb 0.38 -4.68 0.15 0.00 -0.75 0.00 0.00 64.21 59.31 2d8r n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8r n GLY 4 N -1.15 4.55 3.53 0.46 0.00 -1.26 -5.02 105.19 106.29 2d8r n GLY 4 Ca -0.22 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 2d8r n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8r s SER 5 N -2.53 -0.59 -0.03 1.61 1.04 -1.26 -5.06 113.70 106.89 2d8r s SER 5 Ca 0.31 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.38 2d8r s SER 5 Cb 0.26 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 2d8r s SER 5 CO 0.04 -0.56 0.02 -1.54 0.98 0.00 0.00 173.24 172.17 2d8r n SER 6 N 0.81 4.25 -4.72 7.02 3.41 -1.26 -5.01 113.62 118.12 2d8r n SER 6 Ca -0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.03 2d8r n SER 6 Cb 0.58 0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 65.14 2d8r n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d8r s GLY 7 N -3.24 2.97 0.18 5.00 0.00 -1.26 -5.05 107.32 105.92 2d8r s GLY 7 Ca -0.01 0.55 -0.05 0.00 0.00 0.00 0.00 44.72 45.21 2d8r s GLY 7 CO 0.13 1.51 0.42 1.06 0.00 0.00 0.00 173.10 176.22 2d8r s MET 8 N 0.31 3.63 0.25 2.90 -1.94 -1.26 -4.74 119.30 118.45 2d8r s MET 8 Ca 0.48 -0.06 -0.30 0.00 -1.71 0.00 0.00 55.69 54.10 2d8r s MET 8 Cb -0.22 -2.79 -0.09 0.00 2.01 0.00 0.00 34.83 33.73 2d8r s MET 8 CO 0.29 0.41 1.27 -1.25 -0.01 0.00 0.00 175.02 175.72 2d8r s PRO 9 N -2.88 4.43 0.00 2.03 0.04 -1.26 -4.93 135.00 132.42 2d8r s PRO 9 Ca 0.42 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2d8r s PRO 9 Cb -0.12 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2d8r s PRO 9 CO 0.25 -0.14 0.53 2.41 0.04 0.00 0.00 177.00 180.09 2d8r n THR 10 N 1.82 0.13 -3.55 1.26 -1.04 -1.26 -4.90 114.28 106.73 2d8r n THR 10 Ca 0.03 -0.52 -0.09 0.00 -2.04 0.00 0.00 64.05 61.43 2d8r n THR 10 Cb 0.43 1.01 -0.04 0.00 -1.82 0.00 0.00 70.33 69.91 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 -0.13 -0.36 -0.13 8.00 2.20 -1.26 -4.68 114.94 118.59 2d8r s ASN 11 Ca 0.00 0.24 -0.23 0.00 -0.94 0.00 0.00 52.86 51.93 2d8r s ASN 11 Cb 0.00 0.32 -0.03 0.00 -2.00 0.00 0.00 41.25 39.55 2d8r s ASN 11 CO 0.00 -0.43 0.70 0.00 -2.94 0.00 0.00 177.10 174.43 2d8r h ALA 13 N 7.12 1.97 -1.69 0.00 0.00 -1.89 -3.40 119.26 121.36 2d8r h ALA 13 Ca -0.35 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 2d8r h ALA 13 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2d8r h ALA 13 CO 0.78 -0.58 1.59 0.00 0.00 0.00 0.00 179.25 181.04 2d8r n ALA 14 N -2.26 1.12 -0.44 0.00 0.00 -1.26 -4.78 120.51 112.89 2d8r n ALA 14 Ca 0.05 -0.68 0.41 0.00 0.00 0.00 0.00 53.44 53.22 2d8r n ALA 14 Cb 0.56 -3.09 0.75 0.00 0.00 0.00 0.00 19.45 17.68 2d8r n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8r h ALA 15 N 17.85 3.35 -2.52 0.00 0.00 -1.78 -2.52 119.26 133.64 2d8r h ALA 15 Ca -0.29 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 53.90 2d8r h ALA 15 Cb 1.26 0.11 -0.38 0.00 0.00 0.00 0.00 17.79 18.78 2d8r h ALA 15 CO 1.09 -1.83 -0.22 0.41 0.00 0.00 0.00 179.25 178.70 2d8r n GLY 16 N -1.81 4.51 3.41 0.00 0.00 -1.26 -5.03 105.19 105.01 2d8r n GLY 16 Ca 0.32 -2.67 -0.11 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.31 2.37 -2.49 0.00 0.00 -1.26 -4.96 120.51 113.86 2d8r n ALA 18 Ca -0.14 -2.31 -0.43 0.00 0.00 0.00 0.00 53.44 50.55 2d8r n ALA 18 Cb 0.64 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.11 5.08 0.03 0.00 2.01 -1.26 -4.86 115.64 114.52 2d8r s THR 19 Ca 0.25 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 2d8r s THR 19 Cb 0.23 -4.05 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 2d8r s THR 19 CO 0.00 -0.43 -0.01 0.35 -0.69 0.00 0.00 174.62 173.84 2d8r n THR 20 N 5.45 0.45 0.03 -0.82 -2.24 -1.26 -2.03 114.28 113.85 2d8r n THR 20 Ca -0.07 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2d8r n THR 20 Cb 0.47 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 2d8r n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8r n TYR 21 N -3.20 -2.18 -0.68 4.78 9.36 -1.26 -4.06 117.16 119.92 2d8r n TYR 21 Ca -0.01 0.19 0.09 0.00 3.32 0.00 0.00 57.90 61.49 2d8r n TYR 21 Cb 0.34 0.89 -0.03 0.00 -0.63 0.00 0.00 39.34 39.91 2d8r n TYR 21 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2d8r n ASN 22 N -2.64 -4.06 -0.06 2.98 5.15 -1.26 -4.66 115.26 110.70 2d8r n ASN 22 Ca 0.00 0.43 -0.07 0.00 -0.60 0.00 0.00 54.58 54.33 2d8r n ASN 22 Cb 0.00 -2.16 -0.07 0.00 -0.53 0.00 0.00 39.78 37.02 2d8r n ASN 22 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2d8r n LYS 23 N -3.13 1.33 -2.84 1.20 4.81 -1.26 -4.72 118.16 113.55 2d8r n LYS 23 Ca -0.01 0.04 -0.30 0.00 -0.87 0.00 0.00 58.31 57.16 2d8r n LYS 23 Cb 0.31 -1.27 -0.02 0.00 0.02 0.00 0.00 35.03 34.07 2d8r n LYS 23 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2d8r n HIS 24 N -2.64 3.74 -4.26 5.64 1.44 -1.26 -5.04 115.22 112.84 2d8r n HIS 24 Ca -0.21 -3.62 -0.31 0.00 -2.01 0.00 0.00 57.72 51.58 2d8r n HIS 24 Cb 0.80 -0.64 -0.09 0.00 0.12 0.00 0.00 29.99 30.18 2d8r n HIS 24 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2d8r s ILE 25 N -4.49 3.66 0.00 0.61 1.01 -1.26 -5.01 121.20 115.72 2d8r s ILE 25 Ca 0.47 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2d8r s ILE 25 Cb 0.27 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2d8r s ILE 25 CO -0.14 0.19 0.00 0.59 0.00 0.00 0.00 174.94 175.58 2d8r n ASN 26 N 0.89 0.53 -4.53 3.58 4.13 -1.26 -5.07 115.26 113.53 2d8r n ASN 26 Ca -0.13 -0.31 -0.42 0.00 1.68 0.00 0.00 54.58 55.40 2d8r n ASN 26 Cb 0.52 0.73 0.01 0.00 -1.54 0.00 0.00 39.78 39.51 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 -0.79 2.15 -2.16 2.41 5.41 -1.26 -4.99 119.36 120.13 2d8r n ILE 27 Ca 0.00 -0.50 -0.17 0.00 1.00 0.00 0.00 62.75 63.08 2d8r n ILE 27 Cb 0.00 -0.81 0.10 0.00 -0.71 0.00 0.00 39.64 38.21 2d8r n ILE 27 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2d8r n SER 28 N 0.89 0.59 -3.81 4.38 7.64 -1.26 -5.01 113.62 117.03 2d8r n SER 28 Ca 0.11 -1.59 -0.29 0.00 1.01 0.00 0.00 58.87 58.11 2d8r n SER 28 Cb 0.39 -0.51 -0.16 0.00 -1.01 0.00 0.00 64.21 62.92 2d8r n SER 28 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2d8r s PHE 29 N -2.29 1.72 -0.39 1.43 0.40 -1.26 -4.43 117.98 113.16 2d8r s PHE 29 Ca 0.45 -1.41 -0.02 0.00 -0.60 0.00 0.00 56.93 55.35 2d8r s PHE 29 Cb -0.02 -1.42 0.10 0.00 0.51 0.00 0.00 43.02 42.20 2d8r s PHE 29 CO 0.31 -0.73 0.17 -1.01 0.70 0.00 0.00 175.22 174.65 2d8r s HIS 30 N 1.62 3.57 1.41 0.36 3.76 -1.19 -4.98 115.29 119.84 2d8r s HIS 30 Ca -0.00 -2.39 -0.23 0.00 -0.15 0.00 0.00 55.06 52.28 2d8r s HIS 30 Cb -0.18 -3.07 0.36 0.00 1.11 0.00 0.00 32.58 30.81 2d8r s HIS 30 CO -0.11 -0.95 0.82 2.89 -0.85 0.00 0.00 174.74 176.54 2d8r n ARG 31 N 4.57 -4.66 -2.19 1.40 0.00 -1.26 -2.58 116.66 111.94 2d8r n ARG 31 Ca -0.03 -1.38 -0.33 0.00 -0.00 0.00 0.00 57.85 56.12 2d8r n ARG 31 Cb 0.42 -1.82 -0.00 0.00 -0.00 0.00 0.00 32.46 31.05 2d8r n ARG 31 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2d8r s PHE 32 N -2.06 3.06 0.23 2.89 0.40 -1.26 -4.80 117.98 116.45 2d8r s PHE 32 Ca 0.63 1.52 -0.30 0.00 -0.60 0.00 0.00 56.93 58.18 2d8r s PHE 32 Cb -0.11 -2.99 -0.09 0.00 0.51 0.00 0.00 43.02 40.34 2d8r s PHE 32 CO 0.53 -0.95 1.29 -1.25 0.70 0.00 0.00 175.22 175.53 2d8r s PRO 33 N -3.92 4.41 0.44 0.24 0.04 -1.26 -4.92 135.00 130.04 2d8r s PRO 33 Ca 0.64 2.05 0.30 0.00 0.04 0.00 0.00 61.00 64.03 2d8r s PRO 33 Cb -0.15 -3.17 1.27 0.00 0.04 0.00 0.00 34.50 32.48 2d8r s PRO 33 CO 0.33 -0.19 1.89 -0.07 0.04 0.00 0.00 177.00 179.00 2d8r h LEU 34 N 4.88 0.00 -9.91 -3.56 -0.00 -1.95 -3.34 115.31 101.44 2d8r h LEU 34 Ca -0.46 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 56.94 2d8r h LEU 34 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2d8r h LEU 34 CO 0.74 0.00 0.39 -0.62 -0.00 0.00 0.00 178.44 178.96 2d8r s ASP 35 N -5.10 7.06 0.21 -0.43 2.15 -1.26 -4.92 116.67 114.39 2d8r s ASP 35 Ca 0.02 1.99 -0.03 0.00 0.43 0.00 0.00 52.55 54.96 2d8r s ASP 35 Cb 0.09 -2.59 0.17 0.00 -0.30 0.00 0.00 42.92 40.29 2d8r s ASP 35 CO 0.47 -0.27 1.57 1.55 -0.17 0.00 0.00 175.17 178.32 2d8r h PRO 36 N 2.96 0.62 -0.49 4.34 0.13 -1.98 0.47 132.00 138.06 2d8r h PRO 36 Ca -0.47 -0.32 0.04 0.00 -0.87 0.00 0.00 66.00 64.37 2d8r h PRO 36 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2d8r h PRO 36 CO 0.64 0.92 0.25 0.87 -0.23 0.00 0.00 178.00 180.45 2d8r h LYS 37 N 0.50 0.49 0.03 0.86 6.56 -1.96 -2.61 116.57 120.44 2d8r h LYS 37 Ca 0.04 -0.03 -0.19 0.00 -1.06 0.00 0.00 60.65 59.41 2d8r h LYS 37 Cb 0.94 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.47 2d8r h LYS 37 CO 0.08 0.32 -1.04 0.00 -2.06 0.00 0.00 179.45 176.75 2d8r h ARG 38 N 0.50 0.06 -0.89 3.15 2.47 -1.88 -3.28 114.38 114.51 2d8r h ARG 38 Ca 0.21 -0.10 0.12 0.00 -1.26 0.00 0.00 59.98 58.95 2d8r h ARG 38 Cb 0.10 0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 28.33 2d8r h ARG 38 CO -0.14 1.05 -0.41 -2.13 0.56 0.00 0.00 179.97 178.91 2d8r n ARG 39 N -4.33 -0.27 -0.28 0.04 0.63 0.17 0.11 116.66 112.73 2d8r n ARG 39 Ca -0.26 1.36 -0.05 0.00 -0.92 0.00 0.00 57.85 57.98 2d8r n ARG 39 Cb 0.70 -2.01 0.09 0.00 0.45 0.00 0.00 32.46 31.69 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 1.16 0.76 -0.14 1.79 -1.65 -3.05 116.57 115.44 2d8r h LYS 40 Ca 0.25 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2d8r h LYS 40 Cb 0.48 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2d8r h LYS 40 CO -0.87 0.93 -0.42 0.93 -1.08 0.00 0.00 179.45 178.94 2d8r h GLU 41 N 1.14 -1.05 -0.98 3.15 3.07 0.78 0.66 114.58 121.35 2d8r h GLU 41 Ca 0.26 0.07 0.30 0.00 -0.50 0.00 0.00 59.36 59.49 2d8r h GLU 41 Cb 0.19 0.24 -0.18 0.00 -0.84 0.00 0.00 28.75 28.16 2d8r h GLU 41 CO -0.02 -0.70 0.16 -1.49 -1.40 0.00 0.00 179.01 175.56 2d8r h TRP 42 N -1.09 0.19 0.00 4.33 4.06 -0.58 1.91 115.95 124.77 2d8r h TRP 42 Ca -0.10 0.06 -0.12 0.00 2.06 0.00 0.00 58.89 60.79 2d8r h TRP 42 Cb 0.86 0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 2d8r h TRP 42 CO -0.03 -0.41 -0.55 0.28 -3.56 0.00 0.00 178.44 174.16 2d8r h VAL 43 N 0.03 1.23 0.00 1.49 2.07 -1.39 -1.91 116.25 117.77 2d8r h VAL 43 Ca 0.65 -2.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.02 2d8r h VAL 43 Cb 1.43 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 2d8r h VAL 43 CO -0.86 0.54 -0.64 -0.09 0.02 0.00 0.00 177.57 176.55 2d8r h ARG 44 N 0.00 0.00 0.08 1.57 9.65 0.51 -3.18 114.38 123.01 2d8r h ARG 44 Ca -0.01 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 2d8r h ARG 44 Cb 1.09 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2d8r h ARG 44 CO 0.07 0.64 -0.65 -0.07 2.80 0.00 0.00 179.97 182.76 2d8r h LEU 45 N 0.00 0.26 -2.39 3.80 3.38 0.24 -3.29 115.31 117.32 2d8r h LEU 45 Ca -0.01 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 57.07 2d8r h LEU 45 Cb 1.42 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 2d8r h LEU 45 CO 0.08 1.30 0.16 1.62 0.09 0.00 0.00 178.44 181.69 2d8r h VAL 46 N -0.63 0.30 -4.65 1.22 3.04 -1.45 -3.47 116.25 110.61 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 1.41 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 2d8r h VAL 46 CO 0.06 0.00 -0.01 0.54 -1.01 0.00 0.00 177.57 177.15 2d8r n ARG 47 N -3.50 -0.93 -4.35 4.17 1.74 -1.20 -4.21 116.66 108.37 2d8r n ARG 47 Ca -0.00 1.19 -0.18 0.00 -0.77 0.00 0.00 57.85 58.08 2d8r n ARG 47 Cb 0.25 -4.48 -0.10 0.00 -1.02 0.00 0.00 32.46 27.11 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 -3.02 1.36 0.00 5.56 1.81 -1.24 -4.84 118.95 118.58 2d8r s ARG 48 Ca 0.01 -1.65 0.00 0.00 -1.72 0.00 0.00 55.73 52.37 2d8r s ARG 48 Cb -0.00 -0.93 0.00 0.00 -0.45 0.00 0.00 34.95 33.57 2d8r s ARG 48 CO 0.52 0.05 0.00 1.63 -0.68 0.00 0.00 175.30 176.83 2d8r n LYS 49 N -0.42 1.82 -0.91 3.54 4.76 -1.26 -4.63 118.16 121.06 2d8r n LYS 49 Ca -0.07 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.24 2d8r n LYS 49 Cb 0.62 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.67 2d8r n LYS 49 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2d8r n ASN 50 N 0.00 4.91 -4.86 4.39 5.15 -1.26 -4.88 115.26 118.71 2d8r n ASN 50 Ca 0.00 -2.38 -0.36 0.00 -0.60 0.00 0.00 54.58 51.24 2d8r n ASN 50 Cb 0.00 -1.27 -0.06 0.00 -0.53 0.00 0.00 39.78 37.93 2d8r n ASN 50 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2d8r s PHE 51 N 1.36 3.65 0.04 1.20 5.36 -1.26 -5.10 117.98 123.24 2d8r s PHE 51 Ca 0.59 0.85 0.06 0.00 -0.96 0.00 0.00 56.93 57.47 2d8r s PHE 51 Cb 0.27 -2.19 -0.02 0.00 -0.34 0.00 0.00 43.02 40.74 2d8r s PHE 51 CO -0.00 0.60 -0.17 0.08 -1.46 0.00 0.00 175.22 174.27 2d8r s VAL 52 N -1.21 1.39 0.00 3.12 1.01 -1.26 -4.98 120.40 118.46 2d8r s VAL 52 Ca 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2d8r s VAL 52 Cb -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2d8r s VAL 52 CO 0.14 0.09 0.00 -0.81 0.00 0.00 0.00 175.10 174.52 2d8r n PRO 53 N 1.83 -0.34 0.00 2.72 -0.04 -1.26 -4.82 135.00 133.08 2d8r n PRO 53 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2d8r n PRO 53 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 2.46 1.35 0.00 0.55 0.00 -1.26 -5.08 105.19 103.21 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 -1.27 0.00 0.14 1.61 4.81 -1.26 -4.99 118.16 117.21 2d8r n LYS 55 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 2d8r n LYS 55 Cb 0.00 0.00 0.48 0.00 0.02 0.00 0.00 35.03 35.53 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 0.00 0.60 -1.52 5.64 1.44 -1.26 -4.71 115.22 115.41 2d8r n HIS 56 Ca 0.00 0.31 -0.60 0.00 -2.01 0.00 0.00 57.72 55.43 2d8r n HIS 56 Cb 0.00 -0.96 -0.09 0.00 0.12 0.00 0.00 29.99 29.05 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 -2.13 0.11 -4.10 0.61 -1.04 -1.26 -4.65 114.28 101.81 2d8r n THR 57 Ca -0.01 -0.06 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 2d8r n THR 57 Cb 0.08 -0.88 -0.10 0.00 -1.82 0.00 0.00 70.33 67.61 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 4.93 0.59 -0.02 -1.42 -0.12 -1.26 -3.97 117.98 116.70 2d8r s PHE 58 Ca 1.09 -1.06 0.06 0.00 -0.05 0.00 0.00 56.93 56.97 2d8r s PHE 58 Cb -1.28 -0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 40.68 2d8r s PHE 58 CO 0.67 -0.36 -0.20 -0.51 -0.05 0.00 0.00 175.22 174.76 2d8r s LEU 59 N -2.94 2.04 1.12 -1.99 1.43 -1.07 -2.99 118.68 114.28 2d8r s LEU 59 Ca 0.09 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 2d8r s LEU 59 Cb 0.08 -1.04 0.26 0.00 0.03 0.00 0.00 46.19 45.52 2d8r s LEU 59 CO -0.09 0.25 1.05 0.00 0.23 0.00 0.00 176.35 177.79 2d8r n SER 61 N -4.71 1.26 -0.32 0.00 2.88 -1.26 -4.16 113.62 107.30 2d8r n SER 61 Ca 0.04 0.36 0.22 0.00 -1.33 0.00 0.00 58.87 58.15 2d8r n SER 61 Cb 0.55 -0.31 0.43 0.00 -0.75 0.00 0.00 64.21 64.13 2d8r n SER 61 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2d8r h LYS 62 N 0.02 0.14 0.30 -1.46 1.57 -1.96 0.91 116.57 116.10 2d8r h LYS 62 Ca -0.33 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2d8r h LYS 62 Cb 2.02 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 34.27 2d8r h LYS 62 CO 0.08 0.09 -0.35 0.45 -0.57 0.00 0.00 179.45 179.15 2d8r h HIS 63 N 0.15 -0.96 -4.27 -1.35 3.86 -1.98 -3.43 115.15 107.17 2d8r h HIS 63 Ca 0.70 0.01 -0.51 0.00 -1.16 0.00 0.00 60.37 59.41 2d8r h HIS 63 Cb 1.62 0.38 0.14 0.00 1.06 0.00 0.00 27.41 30.61 2d8r h HIS 63 CO -0.16 -0.49 0.30 -0.06 0.86 0.00 0.00 177.93 178.37 2d8r s PHE 64 N -5.99 2.42 0.00 2.45 0.40 0.31 -4.21 117.98 113.36 2d8r s PHE 64 Ca -0.17 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.71 2d8r s PHE 64 Cb 0.06 -3.10 0.00 0.00 0.51 0.00 0.00 43.02 40.50 2d8r s PHE 64 CO 0.63 -2.01 0.00 0.39 0.70 0.00 0.00 175.22 174.94 2d8r n GLU 65 N -3.66 0.00 0.00 0.44 -0.58 -1.26 -4.96 120.64 110.61 2d8r n GLU 65 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2d8r n GLU 65 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 2d8r n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8r n ALA 66 N -3.00 1.33 0.14 0.62 0.00 -1.26 -4.84 120.51 113.50 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 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.50 0.25 -0.65 0.00 7.64 -1.26 -0.29 113.62 117.81 2d8r n SER 67 Ca 0.00 0.61 0.13 0.00 1.01 0.00 0.00 58.87 60.62 2d8r n SER 67 Cb 0.00 -0.65 0.38 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.57 0.47 -3.40 0.00 3.72 0.60 -2.17 117.46 117.25 2d8r n PHE 69 Ca 0.17 -1.24 -0.42 0.00 -0.05 0.00 0.00 57.45 55.92 2d8r n PHE 69 Cb 0.43 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 2d8r n PHE 69 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2d8r n ASP 70 N -1.21 5.18 0.07 4.37 -0.08 0.51 -4.70 116.55 120.68 2d8r n ASP 70 Ca -0.10 -3.12 -0.06 0.00 -1.51 0.00 0.00 54.79 50.01 2d8r n ASP 70 Cb 0.32 -1.25 0.12 0.00 2.34 0.00 0.00 41.12 42.64 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 6.25 0.35 0.00 -2.67 -0.00 -1.82 -2.68 115.31 114.74 2d8r h LEU 71 Ca 0.18 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2d8r h LEU 71 Cb 0.82 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2d8r h LEU 71 CO 1.00 0.85 0.00 1.07 -0.00 0.00 0.00 178.44 181.36 2d8r n THR 72 N -3.91 0.00 -3.35 0.22 5.66 -1.26 -4.82 114.28 106.82 2d8r n THR 72 Ca -0.02 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.78 2d8r n THR 72 Cb 0.60 -0.51 -0.01 0.00 -1.55 0.00 0.00 70.33 68.87 2d8r n THR 72 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2d8r s GLY 73 N -1.92 2.06 0.34 1.09 0.00 -1.01 -4.98 107.32 102.90 2d8r s GLY 73 Ca 0.39 -1.80 0.13 0.00 0.00 0.00 0.00 44.72 43.44 2d8r s GLY 73 CO 0.30 -1.64 1.59 -1.61 0.00 0.00 0.00 173.10 171.74 2d8r h GLN 74 N 0.83 0.03 -3.92 2.90 4.15 -1.87 -3.42 115.11 113.81 2d8r h GLN 74 Ca -0.40 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.91 2d8r h GLN 74 Cb 1.27 -0.01 -0.12 0.00 0.21 0.00 0.00 27.48 28.84 2d8r h GLN 74 CO 0.52 0.02 -0.31 -0.08 -1.93 0.00 0.00 178.83 177.05 2d8r s THR 75 N -5.72 0.04 -0.55 2.39 -1.32 -1.26 -5.09 115.64 104.14 2d8r s THR 75 Ca -0.11 -1.46 -0.26 0.00 -1.21 0.00 0.00 61.69 58.65 2d8r s THR 75 Cb 0.32 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 2d8r s THR 75 CO 0.78 -0.19 2.13 -0.60 -2.21 0.00 0.00 174.62 174.53 2d8r s ARG 76 N -4.00 2.38 -0.15 7.08 3.52 -1.24 -4.48 118.95 122.05 2d8r s ARG 76 Ca 0.21 1.02 -0.01 0.00 -0.13 0.00 0.00 55.73 56.82 2d8r s ARG 76 Cb 0.03 -4.48 -0.01 0.00 -1.56 0.00 0.00 34.95 28.92 2d8r s ARG 76 CO 0.04 -2.99 -0.10 1.03 -0.81 0.00 0.00 175.30 172.46 2d8r s ARG 77 N 7.63 3.42 -0.03 5.12 0.52 -1.24 -4.68 118.95 129.69 2d8r s ARG 77 Ca 0.82 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 2d8r s ARG 77 Cb -0.15 -2.76 -0.06 0.00 0.52 0.00 0.00 34.95 32.50 2d8r s ARG 77 CO 0.23 0.12 1.73 -1.17 0.02 0.00 0.00 175.30 176.24 2d8r s LEU 78 N 0.61 4.35 0.24 2.53 1.98 -1.26 0.19 118.68 127.32 2d8r s LEU 78 Ca -0.06 2.35 -0.30 0.00 -2.89 0.00 0.00 54.13 53.24 2d8r s LEU 78 Cb -0.15 -3.53 -0.09 0.00 0.66 0.00 0.00 46.19 43.07 2d8r s LEU 78 CO 0.03 -0.96 1.21 -0.54 -1.89 0.00 0.00 176.35 174.20 2d8r s LYS 79 N 4.11 4.49 0.19 1.98 1.02 -0.92 -4.89 119.74 125.72 2d8r s LYS 79 Ca 0.77 1.96 0.13 0.00 0.02 0.00 0.00 55.97 58.85 2d8r s LYS 79 Cb -0.36 -3.18 0.72 0.00 -0.52 0.00 0.00 37.83 34.49 2d8r s LYS 79 CO 0.33 -0.05 1.41 -1.33 -0.92 0.00 0.00 175.35 174.79 2d8r n MET 80 N 1.81 0.09 -0.67 1.68 2.81 -1.26 -0.64 117.12 120.93 2d8r n MET 80 Ca 0.02 0.57 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 2d8r n MET 80 Cb 0.44 -1.77 0.23 0.00 -0.71 0.00 0.00 33.22 31.40 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 -1.96 3.25 -4.43 7.83 2.03 -1.26 -4.68 116.55 117.34 2d8r n ASP 81 Ca -0.01 -3.41 -0.33 0.00 0.52 0.00 0.00 54.79 51.56 2d8r n ASP 81 Cb 0.03 -0.61 -0.13 0.00 -0.72 0.00 0.00 41.12 39.69 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 -3.06 2.82 0.15 -1.67 0.00 0.19 -5.06 121.76 115.13 2d8r s ALA 82 Ca 0.45 -0.87 0.10 0.00 0.00 0.00 0.00 51.96 51.64 2d8r s ALA 82 Cb 0.38 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2d8r s ALA 82 CO 0.05 0.20 -0.19 0.14 0.00 0.00 0.00 175.76 175.96 2d8r s VAL 83 N 0.40 2.70 -1.12 0.00 -7.23 -1.26 -4.89 120.40 108.99 2d8r s VAL 83 Ca -0.07 -1.70 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 2d8r s VAL 83 Cb -0.15 -2.26 -0.08 0.00 0.56 0.00 0.00 36.38 34.45 2d8r s VAL 83 CO 0.04 0.01 1.94 -2.16 -0.31 0.00 0.00 175.10 174.61 2d8r s PRO 84 N -2.39 2.51 -0.18 4.82 0.04 -1.26 -4.76 135.00 133.78 2d8r s PRO 84 Ca 0.19 -0.97 0.01 0.00 0.04 0.00 0.00 61.00 60.28 2d8r s PRO 84 Cb -0.09 -5.20 0.24 0.00 0.04 0.00 0.00 34.50 29.48 2d8r s PRO 84 CO 0.10 -3.85 1.45 0.25 0.04 0.00 0.00 177.00 175.00 2d8r n THR 85 N 7.82 1.95 0.00 1.26 -2.24 -1.26 -4.41 114.28 117.41 2d8r n THR 85 Ca 0.44 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2d8r n THR 85 Cb 0.47 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2d8r n THR 85 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2d8r n ILE 86 N 0.01 0.00 -2.34 2.28 5.41 -1.26 -5.09 119.36 118.36 2d8r n ILE 86 Ca 0.23 0.00 0.06 0.00 1.00 0.00 0.00 62.75 64.04 2d8r n ILE 86 Cb 0.88 -0.29 -0.02 0.00 -0.71 0.00 0.00 39.64 39.50 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 -1.01 -2.34 -0.58 1.39 3.72 -1.26 -4.57 117.46 112.82 2d8r n PHE 87 Ca 0.00 0.56 0.03 0.00 -0.05 0.00 0.00 57.45 57.99 2d8r n PHE 87 Cb 0.00 -0.92 0.05 0.00 -0.94 0.00 0.00 39.48 37.66 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2d8r n ASP 88 N -3.78 1.79 -3.86 4.37 5.75 -1.26 -5.06 116.55 114.50 2d8r n ASP 88 Ca 0.00 -2.25 -0.25 0.00 -0.01 0.00 0.00 54.79 52.28 2d8r n ASP 88 Cb 0.20 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 40.07 2d8r n ASP 88 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2d8r s PHE 89 N -1.45 1.78 0.36 2.11 0.08 -1.26 -5.06 117.98 114.53 2d8r s PHE 89 Ca 0.10 -1.43 0.00 0.00 0.12 0.00 0.00 56.93 55.73 2d8r s PHE 89 Cb 0.09 -1.05 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 2d8r s PHE 89 CO 0.01 -0.48 0.00 0.00 -0.10 0.00 0.00 175.22 174.65 2d8r n THR 91 N -3.84 0.00 0.00 0.00 5.66 -1.26 -4.69 114.28 110.15 2d8r n THR 91 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2d8r n THR 91 Cb 0.52 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 2d8r n THR 91 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2d8r n HIS 92 N 8.90 0.00 -1.75 1.09 -0.00 -1.26 -4.93 115.22 117.27 2d8r n HIS 92 Ca 0.58 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 58.35 2d8r n HIS 92 Cb 0.01 0.02 0.14 0.00 -0.00 0.00 0.00 29.99 30.17 2d8r n HIS 92 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2d8r n ILE 93 N -2.01 1.51 -3.27 3.57 -5.35 -1.26 -5.05 119.36 107.51 2d8r n ILE 93 Ca 0.00 -2.37 -0.13 0.00 -0.27 0.00 0.00 62.75 59.99 2d8r n ILE 93 Cb 0.00 0.09 0.01 0.00 -1.74 0.00 0.00 39.64 38.00 2d8r n ILE 93 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2d8r n SER 94 N -0.73 -6.13 -4.26 7.28 7.64 -1.26 -4.99 113.62 111.16 2d8r n SER 94 Ca 0.14 0.21 -0.28 0.00 1.01 0.00 0.00 58.87 59.96 2d8r n SER 94 Cb 0.79 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 62.37 2d8r n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8r n GLY 95 N 0.81 3.60 2.32 0.23 0.00 -1.26 -5.15 105.19 105.73 2d8r n GLY 95 Ca -0.03 -2.32 -0.20 0.00 0.00 0.00 0.00 46.02 43.48 2d8r n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8r n PRO 96 N -1.08 -2.44 -2.16 1.61 -0.04 -1.26 -4.74 135.00 124.89 2d8r n PRO 96 Ca -0.17 -1.16 -0.00 0.00 -0.04 0.00 0.00 63.50 62.14 2d8r n PRO 96 Cb 0.57 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 2d8r n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d8r n SER 97 N -4.24 -4.46 -3.71 3.54 7.64 -1.26 -5.05 113.62 106.08 2d8r n SER 97 Ca 0.10 -0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.66 2d8r n SER 97 Cb 0.39 -2.83 -0.15 0.00 -1.01 0.00 0.00 64.21 60.61 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 -2.40 3.92 0.00 6.43 0.01 -1.26 -5.22 113.70 115.18 2d8r s SER 98 Ca 0.00 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 55.54 2d8r s SER 98 Cb -0.00 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.41 2d8r s SER 98 CO 0.32 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.18