#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 -1.62 -4.72 1.61 2.88 -1.26 -4.92 113.62 105.59 2d8r n SER 2 Ca 0.00 1.34 -0.35 0.00 -1.33 0.00 0.00 58.87 58.54 2d8r n SER 2 Cb 0.00 -5.11 0.09 0.00 -0.75 0.00 0.00 64.21 58.45 2d8r n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8r s SER 3 N -0.76 4.16 0.00 -3.46 0.15 -1.26 -5.04 113.70 107.49 2d8r s SER 3 Ca -0.24 2.41 0.00 0.00 0.70 0.00 0.00 55.95 58.81 2d8r s SER 3 Cb 0.02 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2d8r s SER 3 CO 0.76 -2.29 0.00 0.61 1.20 0.00 0.00 173.24 173.52 2d8r n GLY 4 N 0.50 0.41 0.00 9.45 0.00 -1.26 -5.03 105.19 109.27 2d8r n GLY 4 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.27 -4.09 1.61 2.88 -1.26 -5.03 113.62 108.00 2d8r n SER 5 Ca 0.00 -0.60 -0.33 0.00 -1.33 0.00 0.00 58.87 56.62 2d8r n SER 5 Cb 0.00 0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2d8r n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d8r n SER 6 N -0.47 -1.15 0.00 -3.46 2.88 -1.26 -4.91 113.62 105.24 2d8r n SER 6 Ca 0.00 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 2d8r n SER 6 Cb 0.02 -2.25 0.00 0.00 -0.75 0.00 0.00 64.21 61.24 2d8r n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8r n GLY 7 N -2.21 5.44 3.84 0.46 0.00 -1.26 -5.15 105.19 106.31 2d8r n GLY 7 Ca -0.25 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 2.44 4.03 0.87 1.61 -1.94 -1.26 -5.06 119.30 119.99 2d8r s MET 8 Ca 0.00 0.74 -0.11 0.00 -1.71 0.00 0.00 55.69 54.61 2d8r s MET 8 Cb 0.00 -2.39 0.11 0.00 2.01 0.00 0.00 34.83 34.57 2d8r s MET 8 CO 0.00 0.12 1.09 -1.25 -0.01 0.00 0.00 175.02 174.97 2d8r s PRO 9 N -3.04 1.47 0.00 2.03 0.04 -1.26 -5.08 135.00 129.16 2d8r s PRO 9 Ca 0.55 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2d8r s PRO 9 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2d8r s PRO 9 CO 0.17 -2.11 0.00 0.25 0.04 0.00 0.00 177.00 175.35 2d8r n THR 10 N -3.81 0.00 -3.66 1.26 -2.24 -1.26 -5.16 114.28 99.41 2d8r n THR 10 Ca 0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 2d8r n THR 10 Cb 0.55 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.53 2d8r n THR 10 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2d8r s ASN 11 N 0.46 -0.76 -0.44 3.42 2.20 -1.26 -4.86 114.94 113.70 2d8r s ASN 11 Ca 0.00 1.27 -0.35 0.00 -0.94 0.00 0.00 52.86 52.84 2d8r s ASN 11 Cb 0.00 1.33 -0.13 0.00 -2.00 0.00 0.00 41.25 40.45 2d8r s ASN 11 CO 0.00 -0.22 2.25 0.00 -2.94 0.00 0.00 177.10 176.19 2d8r n ALA 13 N 10.03 0.56 -1.48 0.00 0.00 -1.07 -4.46 120.51 124.09 2d8r n ALA 13 Ca 0.45 0.75 -0.43 0.00 0.00 0.00 0.00 53.44 54.21 2d8r n ALA 13 Cb 0.20 -0.65 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.87 -1.39 -0.04 0.00 0.00 -1.26 -4.93 120.51 110.01 2d8r n ALA 14 Ca 0.22 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.87 2d8r n ALA 14 Cb 0.75 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 1.11 -0.04 0.00 0.00 0.00 -1.78 -3.37 119.26 115.18 2d8r h ALA 15 Ca -0.38 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 53.71 2d8r h ALA 15 Cb 1.39 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.21 2d8r h ALA 15 CO 0.54 -0.04 3.67 0.41 0.00 0.00 0.00 179.25 183.83 2d8r n GLY 16 N 1.61 4.22 3.38 0.00 0.00 -1.26 -4.82 105.19 108.32 2d8r n GLY 16 Ca -0.03 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 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 0.55 2.97 -2.56 0.00 0.00 -1.26 -4.94 120.51 115.27 2d8r n ALA 18 Ca -0.19 -2.81 -0.42 0.00 0.00 0.00 0.00 53.44 50.03 2d8r n ALA 18 Cb 0.59 -0.68 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.39 4.97 0.00 0.00 2.01 -1.26 -4.84 115.64 114.13 2d8r s THR 19 Ca 0.34 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.72 2d8r s THR 19 Cb 0.37 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2d8r s THR 19 CO -0.08 -0.27 0.00 0.35 -0.69 0.00 0.00 174.62 173.93 2d8r n THR 20 N 5.49 0.00 0.00 -0.82 -2.24 -1.26 -3.27 114.28 112.18 2d8r n THR 20 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2d8r n THR 20 Cb 0.49 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.36 0.00 0.00 4.78 4.19 -1.26 -4.91 117.16 117.60 2d8r n TYR 21 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2d8r n TYR 21 Cb 0.00 -0.02 0.00 0.00 0.49 0.00 0.00 39.34 39.81 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 -1.61 0.00 0.00 2.98 3.02 -1.26 -4.37 115.26 114.02 2d8r n ASN 22 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2d8r n ASN 22 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2d8r n ASN 22 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2d8r n LYS 23 N 0.00 0.00 0.00 3.52 3.00 -1.26 -4.88 118.16 118.54 2d8r n LYS 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2d8r n LYS 23 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.46 2d8r n LYS 23 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2d8r n HIS 24 N -2.00 0.00 -0.16 5.64 8.25 -1.26 -5.16 115.22 120.53 2d8r n HIS 24 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2d8r n HIS 24 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2d8r n HIS 24 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2d8r n ILE 25 N 0.00 -0.15 0.44 1.59 5.41 -1.26 -4.69 119.36 120.69 2d8r n ILE 25 Ca 0.00 0.12 0.11 0.00 1.00 0.00 0.00 62.75 63.97 2d8r n ILE 25 Cb 0.00 -0.18 0.27 0.00 -0.71 0.00 0.00 39.64 39.02 2d8r n ILE 25 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2d8r n ASN 26 N -2.09 2.98 -4.73 4.38 0.23 -1.26 -4.96 115.26 109.81 2d8r n ASN 26 Ca -0.01 -1.94 -0.42 0.00 -0.53 0.00 0.00 54.58 51.68 2d8r n ASN 26 Cb 0.07 -0.27 -0.02 0.00 -2.08 0.00 0.00 39.78 37.48 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 1.15 0.85 -3.55 1.53 5.41 -1.26 -5.01 119.36 118.49 2d8r n ILE 27 Ca 0.19 -0.21 -0.23 0.00 1.00 0.00 0.00 62.75 63.49 2d8r n ILE 27 Cb 0.51 -1.89 0.02 0.00 -0.71 0.00 0.00 39.64 37.57 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 0.57 4.85 -0.30 4.38 0.01 -1.26 -4.94 113.70 117.00 2d8r s SER 28 Ca 0.66 -1.05 0.03 0.00 1.31 0.00 0.00 55.95 56.90 2d8r s SER 28 Cb -0.52 0.28 0.08 0.00 0.21 0.00 0.00 66.02 66.07 2d8r s SER 28 CO 0.46 -1.15 -0.02 -0.36 0.41 0.00 0.00 173.24 172.58 2d8r s PHE 29 N -2.70 3.49 -0.37 2.43 0.40 -1.26 -3.81 117.98 116.15 2d8r s PHE 29 Ca 0.45 -2.57 -0.01 0.00 -0.60 0.00 0.00 56.93 54.20 2d8r s PHE 29 Cb -0.04 -2.42 0.09 0.00 0.51 0.00 0.00 43.02 41.17 2d8r s PHE 29 CO 0.28 -0.91 0.13 -1.01 0.70 0.00 0.00 175.22 174.41 2d8r s HIS 30 N 1.03 3.55 1.43 0.36 3.76 -1.12 -4.94 115.29 119.36 2d8r s HIS 30 Ca 0.00 -2.40 -0.23 0.00 -0.15 0.00 0.00 55.06 52.28 2d8r s HIS 30 Cb -0.20 -2.92 0.36 0.00 1.11 0.00 0.00 32.58 30.94 2d8r s HIS 30 CO -0.06 -0.93 0.83 2.89 -0.85 0.00 0.00 174.74 176.62 2d8r n ARG 31 N 4.54 -4.63 -2.03 1.40 1.85 -1.26 -2.56 116.66 113.96 2d8r n ARG 31 Ca -0.04 -1.38 -0.32 0.00 -1.00 0.00 0.00 57.85 55.12 2d8r n ARG 31 Cb 0.42 -1.87 0.01 0.00 -1.05 0.00 0.00 32.46 29.96 2d8r n ARG 31 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2d8r s PHE 32 N -2.11 3.14 0.58 2.89 0.40 -1.26 -4.80 117.98 116.83 2d8r s PHE 32 Ca 0.64 1.48 -0.18 0.00 -0.60 0.00 0.00 56.93 58.26 2d8r s PHE 32 Cb -0.11 -2.93 -0.04 0.00 0.51 0.00 0.00 43.02 40.45 2d8r s PHE 32 CO 0.54 -0.96 1.12 -1.25 0.70 0.00 0.00 175.22 175.37 2d8r s PRO 33 N -4.29 3.17 0.28 0.24 0.04 -1.26 -4.96 135.00 128.22 2d8r s PRO 33 Ca 0.61 1.54 0.19 0.00 0.04 0.00 0.00 61.00 63.38 2d8r s PRO 33 Cb -0.14 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.52 2d8r s PRO 33 CO 0.40 -0.98 1.32 -0.07 0.04 0.00 0.00 177.00 177.71 2d8r h LEU 34 N 0.80 0.00-10.04 -3.56 -0.00 -1.96 -3.38 115.31 97.18 2d8r h LEU 34 Ca -0.49 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 56.91 2d8r h LEU 34 Cb 1.26 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.95 2d8r h LEU 34 CO 0.56 0.27 0.41 -0.62 -0.00 0.00 0.00 178.44 179.05 2d8r s ASP 35 N -6.07 6.35 0.15 -0.43 2.15 -1.26 -4.89 116.67 112.67 2d8r s ASP 35 Ca 0.03 2.04 -0.10 0.00 0.43 0.00 0.00 52.55 54.95 2d8r s ASP 35 Cb 0.07 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2d8r s ASP 35 CO 0.74 -0.78 1.49 1.55 -0.17 0.00 0.00 175.17 178.00 2d8r h PRO 36 N 1.82 0.91 -0.53 4.34 0.13 -1.97 0.39 132.00 137.08 2d8r h PRO 36 Ca -0.49 -0.48 0.08 0.00 -0.87 0.00 0.00 66.00 64.24 2d8r h PRO 36 Cb 1.23 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2d8r h PRO 36 CO 0.60 1.13 0.17 0.87 -0.23 0.00 0.00 178.00 180.53 2d8r h LYS 37 N 0.74 0.32 0.00 0.86 6.56 -1.98 -2.14 116.57 120.93 2d8r h LYS 37 Ca 0.06 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.51 2d8r h LYS 37 Cb 0.98 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.54 2d8r h LYS 37 CO 0.09 0.21 -0.70 0.00 -2.06 0.00 0.00 179.45 177.00 2d8r h ARG 38 N 0.33 0.00 -0.86 3.15 2.47 -1.90 -3.23 114.38 114.34 2d8r h ARG 38 Ca 0.27 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 59.13 2d8r h ARG 38 Cb 0.32 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.50 2d8r h ARG 38 CO -0.29 0.92 -0.30 -2.13 0.56 0.00 0.00 179.97 178.73 2d8r n ARG 39 N -4.52 -0.17 -0.04 0.04 0.63 0.13 0.18 116.66 112.92 2d8r n ARG 39 Ca -0.22 1.33 -0.05 0.00 -0.92 0.00 0.00 57.85 58.00 2d8r n ARG 39 Cb 0.56 -1.98 0.16 0.00 0.45 0.00 0.00 32.46 31.66 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 0.64 0.68 -0.14 1.57 -1.56 -3.14 116.57 114.62 2d8r h LYS 40 Ca 0.33 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2d8r h LYS 40 Cb 0.55 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.82 2d8r h LYS 40 CO -0.87 0.78 -0.33 0.93 -0.57 0.00 0.00 179.45 179.40 2d8r h GLU 41 N 0.58 -0.88 -1.47 3.15 4.39 0.20 0.92 114.58 121.46 2d8r h GLU 41 Ca 0.09 0.06 0.48 0.00 0.34 0.00 0.00 59.36 60.33 2d8r h GLU 41 Cb 0.62 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 29.35 2d8r h GLU 41 CO 0.04 -0.58 0.98 -1.49 -1.16 0.00 0.00 179.01 176.80 2d8r h TRP 42 N -1.09 0.40 0.01 4.33 4.06 -0.37 1.87 115.95 125.17 2d8r h TRP 42 Ca -0.09 0.02 -0.26 0.00 2.06 0.00 0.00 58.89 60.62 2d8r h TRP 42 Cb 0.70 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.73 2d8r h TRP 42 CO 0.03 -0.19 -1.37 0.28 -3.56 0.00 0.00 178.44 173.63 2d8r h VAL 43 N 0.04 1.27 0.00 1.49 2.07 -1.46 -2.91 116.25 116.75 2d8r h VAL 43 Ca 0.86 -3.04 -0.10 0.00 0.82 0.00 0.00 66.70 65.24 2d8r h VAL 43 Cb 2.91 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 35.31 2d8r h VAL 43 CO -0.35 0.75 -0.48 -0.09 0.02 0.00 0.00 177.57 177.42 2d8r h ARG 44 N 0.01 0.00 0.01 1.57 2.43 0.52 -3.01 114.38 115.90 2d8r h ARG 44 Ca -0.16 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 2d8r h ARG 44 Cb 1.90 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 2d8r h ARG 44 CO 0.11 0.48 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.63 2d8r h LEU 45 N 0.00 0.03 -1.36 3.80 3.38 -0.27 -3.29 115.31 117.60 2d8r h LEU 45 Ca -0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2d8r h LEU 45 Cb 1.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2d8r h LEU 45 CO 0.06 1.14 0.44 1.62 0.09 0.00 0.00 178.44 181.79 2d8r h VAL 46 N -0.96 0.00 -1.71 1.22 3.04 -1.59 -3.44 116.25 112.81 2d8r h VAL 46 Ca -0.09 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.54 2d8r h VAL 46 Cb 1.12 0.45 0.02 0.00 -2.01 0.00 0.00 31.29 30.87 2d8r h VAL 46 CO -0.04 0.00 -0.09 0.54 -1.01 0.00 0.00 177.57 176.97 2d8r n ARG 47 N -2.58 -1.09 0.00 4.17 1.74 -1.23 -4.45 116.66 113.21 2d8r n ARG 47 Ca -0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2d8r n ARG 47 Cb 0.47 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 2d8r n ARG 47 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2d8r n ARG 48 N -1.14 0.00 0.00 5.56 3.00 -1.14 -4.97 116.66 117.98 2d8r n ARG 48 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2d8r n ARG 48 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 32.46 32.77 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 -2.00 0.00 -0.35 5.56 4.81 -1.22 -4.47 118.16 120.49 2d8r n LYS 49 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2d8r n LYS 49 Cb 0.00 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.17 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 2.76 2.83 -4.04 3.14 4.13 -1.26 -4.83 115.26 117.99 2d8r n ASN 50 Ca 0.00 -2.39 -0.12 0.00 1.68 0.00 0.00 54.58 53.75 2d8r n ASN 50 Cb 0.00 -0.58 -0.11 0.00 -1.54 0.00 0.00 39.78 37.55 2d8r n ASN 50 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2d8r s PHE 51 N -1.46 0.56 0.01 3.10 2.19 -1.26 -5.16 117.98 115.95 2d8r s PHE 51 Ca 0.19 -0.53 0.00 0.00 0.33 0.00 0.00 56.93 56.93 2d8r s PHE 51 Cb 0.15 -0.35 -0.01 0.00 -1.31 0.00 0.00 43.02 41.50 2d8r s PHE 51 CO 0.05 -0.12 -0.02 0.08 1.83 0.00 0.00 175.22 177.04 2d8r s VAL 52 N -1.50 0.12 -0.19 3.12 1.01 -1.26 -5.00 120.40 116.70 2d8r s VAL 52 Ca -0.11 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 2d8r s VAL 52 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2d8r s VAL 52 CO -0.00 -0.25 1.59 -2.16 0.00 0.00 0.00 175.10 174.27 2d8r s PRO 53 N -0.80 3.89 -0.56 2.72 0.04 -1.26 -4.93 135.00 134.11 2d8r s PRO 53 Ca -0.08 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2d8r s PRO 53 Cb -0.06 -4.00 0.38 0.00 0.04 0.00 0.00 34.50 30.86 2d8r s PRO 53 CO -0.00 -1.17 1.19 0.41 0.04 0.00 0.00 177.00 177.46 2d8r n GLY 54 N 4.48 5.85 5.00 0.56 0.00 -1.26 -4.93 105.19 114.88 2d8r n GLY 54 Ca 0.18 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.39 0.00 -0.74 1.61 0.00 -1.26 -4.67 118.16 112.72 2d8r n LYS 55 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.63 2d8r n LYS 55 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.47 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 0.05 -4.28 5.64 8.25 -1.26 -4.78 115.22 118.84 2d8r n HIS 56 Ca 0.00 -1.24 -0.28 0.00 -0.26 0.00 0.00 57.72 55.93 2d8r n HIS 56 Cb 0.00 -0.99 -0.17 0.00 1.12 0.00 0.00 29.99 29.95 2d8r n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2d8r s THR 57 N 0.36 1.39 -0.00 1.59 2.01 -1.26 -4.83 115.64 114.91 2d8r s THR 57 Ca 0.30 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 2d8r s THR 57 Cb 0.15 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2d8r s THR 57 CO -0.00 0.42 0.22 0.72 -0.69 0.00 0.00 174.62 175.29 2d8r s PHE 58 N 1.19 -0.06 -0.02 4.92 -0.12 -1.26 -4.02 117.98 118.60 2d8r s PHE 58 Ca -0.03 0.04 0.06 0.00 -0.05 0.00 0.00 56.93 56.94 2d8r s PHE 58 Cb -0.14 0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 2d8r s PHE 58 CO -0.04 -0.35 -0.19 -0.51 -0.05 0.00 0.00 175.22 174.08 2d8r s LEU 59 N -1.42 2.01 1.20 -1.99 1.43 -1.06 -2.61 118.68 116.25 2d8r s LEU 59 Ca -0.14 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 2d8r s LEU 59 Cb -0.06 -1.01 0.25 0.00 0.03 0.00 0.00 46.19 45.40 2d8r s LEU 59 CO 0.02 0.22 0.67 0.00 0.23 0.00 0.00 176.35 177.49 2d8r n SER 61 N -3.99 0.24 -0.29 0.00 7.64 -1.25 -4.28 113.62 111.69 2d8r n SER 61 Ca 0.03 0.10 0.09 0.00 1.01 0.00 0.00 58.87 60.10 2d8r n SER 61 Cb 0.57 1.19 0.32 0.00 -1.01 0.00 0.00 64.21 65.27 2d8r n SER 61 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2d8r h LYS 62 N 0.00 0.81 0.15 1.43 2.10 -1.92 -2.28 116.57 116.85 2d8r h LYS 62 Ca -0.21 -0.05 0.01 0.00 -2.00 0.00 0.00 60.65 58.40 2d8r h LYS 62 Cb 1.52 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.65 2d8r h LYS 62 CO 0.02 0.54 -0.20 0.45 -2.00 0.00 0.00 179.45 178.25 2d8r h HIS 63 N 0.84 -0.54 -3.03 0.07 3.86 -1.93 -3.41 115.15 111.02 2d8r h HIS 63 Ca 0.43 0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 59.12 2d8r h HIS 63 Cb 0.52 0.22 0.02 0.00 1.06 0.00 0.00 27.41 29.22 2d8r h HIS 63 CO -0.00 -0.30 0.70 -0.06 0.86 0.00 0.00 177.93 179.13 2d8r s PHE 64 N -6.10 3.24 0.00 2.45 0.40 -0.86 -4.52 117.98 112.59 2d8r s PHE 64 Ca -0.15 1.00 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 2d8r s PHE 64 Cb 0.07 -3.63 0.00 0.00 0.51 0.00 0.00 43.02 39.97 2d8r s PHE 64 CO 0.65 -2.18 0.00 0.39 0.70 0.00 0.00 175.22 174.78 2d8r n GLU 65 N 4.10 0.00 0.00 0.44 1.02 -1.26 -4.96 120.64 119.97 2d8r n GLU 65 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2d8r n GLU 65 Cb 0.43 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 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 1.07 0.02 0.62 0.00 -1.26 -4.85 120.51 113.11 2d8r n ALA 66 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2d8r n ALA 66 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2d8r n ALA 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2d8r n SER 67 N -1.44 0.08 0.08 0.00 3.41 -1.26 -0.16 113.62 114.34 2d8r n SER 67 Ca 0.00 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 2d8r n SER 67 Cb 0.00 -0.54 0.22 0.00 -0.26 0.00 0.00 64.21 63.63 2d8r n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d8r s PHE 69 N -3.16 3.08 -0.58 0.00 0.08 0.77 -1.81 117.98 116.36 2d8r s PHE 69 Ca 0.07 -0.09 -0.21 0.00 0.12 0.00 0.00 56.93 56.83 2d8r s PHE 69 Cb 0.12 -1.43 0.07 0.00 -0.57 0.00 0.00 43.02 41.22 2d8r s PHE 69 CO 0.69 0.53 0.79 0.34 -0.10 0.00 0.00 175.22 177.47 2d8r s ASP 70 N -3.49 6.22 -0.05 1.36 2.15 0.19 -4.74 116.67 118.30 2d8r s ASP 70 Ca 0.32 -0.96 -0.12 0.00 0.43 0.00 0.00 52.55 52.21 2d8r s ASP 70 Cb -0.09 -2.35 -0.07 0.00 -0.30 0.00 0.00 42.92 40.11 2d8r s ASP 70 CO 0.24 -1.16 0.50 -0.07 -0.17 0.00 0.00 175.17 174.51 2d8r h LEU 71 N 10.45 -0.33 -9.75 -1.34 -0.00 -1.84 -3.03 115.31 109.46 2d8r h LEU 71 Ca -0.28 -0.02 -0.51 0.00 -0.00 0.00 0.00 57.88 57.07 2d8r h LEU 71 Cb 1.08 0.09 0.22 0.00 -0.00 0.00 0.00 40.66 42.05 2d8r h LEU 71 CO 1.08 0.13 -0.75 1.07 -0.00 0.00 0.00 178.44 179.97 2d8r n THR 72 N -5.04 0.00 0.00 0.22 5.66 -1.26 -3.97 114.28 109.89 2d8r n THR 72 Ca -0.05 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 2d8r n THR 72 Cb 0.17 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 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 1.68 2.01 1.56 1.09 0.00 -1.26 -4.79 105.19 105.48 2d8r n GLY 73 Ca 0.05 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.80 -1.00 1.61 6.02 -1.25 -5.13 117.38 118.43 2d8r n GLN 74 Ca 0.00 -1.61 -0.36 0.00 -0.01 0.00 0.00 57.00 55.02 2d8r n GLN 74 Cb 0.00 0.85 0.04 0.00 1.02 0.00 0.00 30.24 32.15 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 -0.43 0.00 -1.68 5.09 5.66 -1.26 -4.57 114.28 117.08 2d8r n THR 75 Ca -0.03 -0.48 -0.45 0.00 -3.05 0.00 0.00 64.05 60.04 2d8r n THR 75 Cb 0.29 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.03 2d8r n THR 75 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2d8r n ARG 76 N 2.50 2.41 -4.49 1.09 1.74 -1.24 -4.72 116.66 113.95 2d8r n ARG 76 Ca -0.02 0.88 -0.25 0.00 -0.77 0.00 0.00 57.85 57.69 2d8r n ARG 76 Cb 0.57 -2.71 -0.17 0.00 -1.02 0.00 0.00 32.46 29.13 2d8r n ARG 76 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2d8r s ARG 77 N 2.41 1.67 -0.21 5.56 0.52 -1.15 -4.77 118.95 122.99 2d8r s ARG 77 Ca 0.83 -0.39 -0.28 0.00 -0.52 0.00 0.00 55.73 55.37 2d8r s ARG 77 Cb -0.60 -1.43 -0.05 0.00 0.52 0.00 0.00 34.95 33.39 2d8r s ARG 77 CO 0.41 -0.01 2.22 -1.17 0.02 0.00 0.00 175.30 176.77 2d8r s LEU 78 N 0.80 3.46 0.25 2.53 1.98 -1.26 0.54 118.68 126.98 2d8r s LEU 78 Ca -0.12 1.91 -0.30 0.00 -2.89 0.00 0.00 54.13 52.74 2d8r s LEU 78 Cb -0.15 -3.51 -0.10 0.00 0.66 0.00 0.00 46.19 43.09 2d8r s LEU 78 CO 0.02 -1.95 1.34 -0.54 -1.89 0.00 0.00 176.35 173.34 2d8r s LYS 79 N 6.32 4.35 0.61 1.98 1.02 -0.75 -4.88 119.74 128.39 2d8r s LYS 79 Ca 1.01 2.17 0.31 0.00 0.02 0.00 0.00 55.97 59.47 2d8r s LYS 79 Cb -0.33 -3.13 1.73 0.00 -0.52 0.00 0.00 37.83 35.57 2d8r s LYS 79 CO 0.35 -0.27 2.09 0.00 -0.92 0.00 0.00 175.35 176.60 2d8r h MET 80 N 4.69 0.00 -0.65 1.68 -0.00 -1.91 0.35 114.93 119.09 2d8r h MET 80 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.20 2d8r h MET 80 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.80 2d8r h MET 80 CO 0.74 0.00 0.04 -0.25 -0.00 0.00 0.00 176.91 177.44 2d8r n ASP 81 N -3.60 5.21 -4.66 -0.10 8.00 -1.26 -4.80 116.55 115.34 2d8r n ASP 81 Ca 0.01 -2.89 -0.35 0.00 0.71 0.00 0.00 54.79 52.27 2d8r n ASP 81 Cb 0.32 -0.68 -0.09 0.00 -0.02 0.00 0.00 41.12 40.65 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d8r s ALA 82 N -2.63 3.44 0.14 2.24 0.00 0.12 -5.06 121.76 120.00 2d8r s ALA 82 Ca 0.50 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.82 2d8r s ALA 82 Cb 0.38 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2d8r s ALA 82 CO 0.14 0.26 -0.23 0.14 0.00 0.00 0.00 175.76 176.08 2d8r s VAL 83 N 0.10 1.99 -1.00 0.00 -7.23 -1.26 -4.91 120.40 108.10 2d8r s VAL 83 Ca 0.05 -1.75 -0.24 0.00 -1.81 0.00 0.00 61.98 58.23 2d8r s VAL 83 Cb -0.12 -1.83 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 2d8r s VAL 83 CO 0.01 -0.07 1.94 -2.16 -0.31 0.00 0.00 175.10 174.51 2d8r s PRO 84 N -2.23 2.54 0.00 4.82 0.04 -1.26 -4.75 135.00 134.15 2d8r s PRO 84 Ca 0.13 -0.59 0.06 0.00 0.04 0.00 0.00 61.00 60.63 2d8r s PRO 84 Cb -0.09 -5.13 0.33 0.00 0.04 0.00 0.00 34.50 29.66 2d8r s PRO 84 CO 0.06 -3.59 1.14 0.25 0.04 0.00 0.00 177.00 174.91 2d8r n THR 85 N 7.85 0.00 -4.08 1.26 -2.24 -1.26 -4.76 114.28 111.04 2d8r n THR 85 Ca 0.42 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.07 2d8r n THR 85 Cb 0.47 -0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.59 0.14 2.28 1.09 -1.26 -5.03 121.20 117.01 2d8r s ILE 86 Ca 0.08 -1.23 0.00 0.00 -1.10 0.00 0.00 60.65 58.40 2d8r s ILE 86 Cb 0.04 -0.80 0.00 0.00 -1.06 0.00 0.00 42.46 40.64 2d8r s ILE 86 CO 0.06 -0.45 0.00 0.49 -0.10 0.00 0.00 174.94 174.94 2d8r n PHE 87 N 1.21 -2.63 -4.41 3.97 3.72 -1.26 -4.84 117.46 113.23 2d8r n PHE 87 Ca -0.21 0.49 -0.21 0.00 -0.05 0.00 0.00 57.45 57.47 2d8r n PHE 87 Cb 0.56 1.45 -0.13 0.00 -0.94 0.00 0.00 39.48 40.41 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2d8r s ASP 88 N -1.52 1.82 0.04 4.37 1.01 -1.26 -5.02 116.67 116.12 2d8r s ASP 88 Ca 0.00 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 52.79 2d8r s ASP 88 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.81 2d8r s ASP 88 CO 0.00 0.06 0.00 0.49 0.21 0.00 0.00 175.17 175.93 2d8r n PHE 89 N 1.88 -3.04 0.00 4.23 3.72 -1.26 -5.08 117.46 117.92 2d8r n PHE 89 Ca -0.18 1.81 0.00 0.00 -0.05 0.00 0.00 57.45 59.04 2d8r n PHE 89 Cb 0.54 -3.13 0.00 0.00 -0.94 0.00 0.00 39.48 35.95 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d8r s THR 91 N -0.75 1.52 0.28 0.00 2.01 -1.26 -5.08 115.64 112.37 2d8r s THR 91 Ca 0.00 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.00 2d8r s THR 91 Cb 0.00 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.80 2d8r s THR 91 CO 0.00 0.00 0.00 1.41 -0.69 0.00 0.00 174.62 175.34 2d8r n HIS 92 N -0.98 -3.04 -3.38 4.92 8.25 -1.26 -4.59 115.22 115.14 2d8r n HIS 92 Ca -0.08 1.52 -0.43 0.00 -0.26 0.00 0.00 57.72 58.47 2d8r n HIS 92 Cb 0.67 -2.76 -0.09 0.00 1.12 0.00 0.00 29.99 28.92 2d8r n HIS 92 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2d8r s ILE 93 N -2.05 5.17 0.33 1.59 -4.36 -1.26 -5.06 121.20 115.55 2d8r s ILE 93 Ca 0.00 -0.54 -0.25 0.00 -0.26 0.00 0.00 60.65 59.60 2d8r s ILE 93 Cb 0.00 -4.01 -0.10 0.00 1.25 0.00 0.00 42.46 39.61 2d8r s ILE 93 CO 0.00 -0.40 0.93 -0.44 0.24 0.00 0.00 174.94 175.27 2d8r s SER 94 N 1.83 7.26 0.29 4.36 0.01 -1.26 -5.06 113.70 121.13 2d8r s SER 94 Ca 0.09 1.78 -0.12 0.00 1.31 0.00 0.00 55.95 59.01 2d8r s SER 94 Cb -0.18 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.49 2d8r s SER 94 CO 0.12 -0.10 0.54 -0.83 0.41 0.00 0.00 173.24 173.38 2d8r s GLY 95 N -1.70 0.67 0.02 3.44 0.00 -1.26 -5.14 107.32 103.36 2d8r s GLY 95 Ca 0.51 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 2d8r s GLY 95 CO 0.22 -0.62 1.44 2.56 0.00 0.00 0.00 173.10 176.70 2d8r s PRO 96 N -3.56 4.27 0.00 2.90 0.04 -1.26 -4.83 135.00 132.56 2d8r s PRO 96 Ca 0.22 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2d8r s PRO 96 Cb -0.02 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2d8r s PRO 96 CO 0.12 -0.59 0.72 -1.13 0.04 0.00 0.00 177.00 176.16 2d8r n SER 97 N 5.30 -0.41 -4.44 6.66 3.41 -1.26 -5.13 113.62 117.74 2d8r n SER 97 Ca 0.13 -1.44 -0.27 0.00 -0.26 0.00 0.00 58.87 57.03 2d8r n SER 97 Cb 0.43 0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.39 2d8r n SER 97 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d8r s SER 98 N -0.45 3.55 0.00 4.04 0.01 -1.26 -5.35 113.70 114.24 2d8r s SER 98 Ca 0.00 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2d8r s SER 98 Cb 0.00 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2d8r s SER 98 CO -0.00 0.12 0.22 0.61 0.41 0.00 0.00 173.24 174.60