#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 0.00 -4.60 1.61 7.64 -1.26 -4.97 113.62 112.04 2d8r n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2d8r n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2d8r n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8r s SER 3 N 0.30 6.24 -0.21 6.43 0.15 -1.26 -4.85 113.70 120.50 2d8r s SER 3 Ca 0.00 0.91 0.14 0.00 0.70 0.00 0.00 55.95 57.71 2d8r s SER 3 Cb 0.00 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.26 2d8r s SER 3 CO 0.00 -1.50 1.39 0.61 1.20 0.00 0.00 173.24 174.95 2d8r n GLY 4 N 5.16 4.51 0.44 9.45 0.00 -1.26 -5.03 105.19 118.46 2d8r n GLY 4 Ca 0.18 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 2d8r n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8r n SER 5 N -0.89 -1.20 0.01 1.61 3.41 -1.26 -5.02 113.62 110.27 2d8r n SER 5 Ca 0.25 -0.56 -0.01 0.00 -0.26 0.00 0.00 58.87 58.29 2d8r n SER 5 Cb 0.90 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.72 2d8r n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d8r h SER 6 N -1.27 -0.03 -0.57 4.04 0.87 -2.05 -3.48 113.55 111.06 2d8r h SER 6 Ca -0.05 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.95 2d8r h SER 6 Cb 0.16 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2d8r h SER 6 CO 0.03 0.02 -0.22 -0.83 -0.53 0.00 0.00 176.83 175.30 2d8r s GLY 7 N -1.92 2.16 0.23 5.77 0.00 -1.26 -5.15 107.32 107.15 2d8r s GLY 7 Ca -0.01 -1.53 0.12 0.00 0.00 0.00 0.00 44.72 43.30 2d8r s GLY 7 CO 0.02 -1.87 -0.22 1.06 0.00 0.00 0.00 173.10 172.09 2d8r s MET 8 N -4.43 1.60 0.59 2.90 -1.94 -1.26 -5.07 119.30 111.69 2d8r s MET 8 Ca 0.43 -1.62 -0.17 0.00 -1.71 0.00 0.00 55.69 52.61 2d8r s MET 8 Cb -0.03 -1.82 -0.03 0.00 2.01 0.00 0.00 34.83 34.95 2d8r s MET 8 CO 0.27 0.37 1.12 -1.25 -0.01 0.00 0.00 175.02 175.52 2d8r s PRO 9 N -3.02 3.12 -0.01 2.03 0.04 -1.26 -4.87 135.00 131.03 2d8r s PRO 9 Ca 0.25 1.51 -0.27 0.00 0.04 0.00 0.00 61.00 62.53 2d8r s PRO 9 Cb -0.07 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.55 2d8r s PRO 9 CO 0.12 -1.02 0.60 0.99 0.04 0.00 0.00 177.00 177.73 2d8r s THR 10 N -2.02 0.01 0.35 1.26 2.01 -1.26 -5.02 115.64 110.97 2d8r s THR 10 Ca 0.70 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.60 2d8r s THR 10 Cb -0.22 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.33 2d8r s THR 10 CO 0.33 -0.05 0.00 0.59 -0.69 0.00 0.00 174.62 174.80 2d8r n ASN 11 N 0.72 -4.78 -4.52 3.53 5.03 -1.25 -4.71 115.26 109.28 2d8r n ASN 11 Ca -0.19 1.01 -0.35 0.00 0.87 0.00 0.00 54.58 55.92 2d8r n ASN 11 Cb 0.58 -2.65 -0.12 0.00 -1.02 0.00 0.00 39.78 36.57 2d8r n ASN 11 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2d8r h ALA 13 N 7.39 1.56 -1.67 0.00 0.00 -1.79 -3.42 119.26 121.34 2d8r h ALA 13 Ca -0.36 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.92 2d8r h ALA 13 Cb 1.18 -0.23 0.11 0.00 0.00 0.00 0.00 17.79 18.84 2d8r h ALA 13 CO 0.63 0.25 -0.04 0.00 0.00 0.00 0.00 179.25 180.09 2d8r n ALA 14 N -2.38 -1.06 -2.70 0.00 0.00 -1.26 -4.91 120.51 108.19 2d8r n ALA 14 Ca 0.16 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.62 2d8r n ALA 14 Cb 0.30 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.94 3.41 0.00 0.00 0.00 -1.26 -3.90 121.76 119.07 2d8r s ALA 15 Ca 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2d8r s ALA 15 Cb -0.79 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2d8r s ALA 15 CO 0.58 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.56 2d8r n GLY 16 N 3.28 0.75 1.05 0.00 0.00 -1.26 -4.98 105.19 104.04 2d8r n GLY 16 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.62 -3.14 -3.02 0.00 0.00 -1.26 -5.05 120.51 105.41 2d8r n ALA 18 Ca 0.00 0.95 -0.22 0.00 0.00 0.00 0.00 53.44 54.17 2d8r n ALA 18 Cb 0.00 -2.91 -0.16 0.00 0.00 0.00 0.00 19.45 16.39 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 -2.27 0.97 0.00 0.00 2.01 -1.26 -4.95 115.64 110.14 2d8r s THR 19 Ca 0.17 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2d8r s THR 19 Cb -0.05 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2d8r s THR 19 CO 0.74 0.29 0.00 0.35 -0.69 0.00 0.00 174.62 175.31 2d8r n THR 20 N 3.28 0.00 0.08 -0.82 -2.24 -1.26 -3.18 114.28 110.14 2d8r n THR 20 Ca -0.18 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 2d8r n THR 20 Cb 0.54 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.23 2d8r n THR 20 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2d8r h TYR 21 N 0.00 0.35 -7.05 4.78 3.20 -2.00 -3.46 116.97 112.79 2d8r h TYR 21 Ca 0.00 -0.00 -0.61 0.00 3.14 0.00 0.00 58.73 61.26 2d8r h TYR 21 Cb 0.00 -0.11 -0.27 0.00 1.54 0.00 0.00 36.73 37.89 2d8r h TYR 21 CO 0.00 0.27 -0.92 -1.71 -1.64 0.00 0.00 178.16 174.16 2d8r n ASN 22 N -4.44 -0.09 0.00 -2.11 5.15 -1.26 -3.38 115.26 109.13 2d8r n ASN 22 Ca 0.01 -1.23 0.00 0.00 -0.60 0.00 0.00 54.58 52.76 2d8r n ASN 22 Cb 0.11 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 37.82 2d8r n ASN 22 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2d8r n LYS 23 N -4.28 0.00 -3.61 1.20 4.76 -1.26 -4.35 118.16 110.62 2d8r n LYS 23 Ca -0.16 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.88 2d8r n LYS 23 Cb 0.59 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.68 2d8r n LYS 23 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2d8r s HIS 24 N 0.00 3.38 0.13 2.13 3.76 -1.24 -5.07 115.29 118.38 2d8r s HIS 24 Ca 0.00 -1.69 0.05 0.00 -0.15 0.00 0.00 55.06 53.27 2d8r s HIS 24 Cb 0.00 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 2d8r s HIS 24 CO 0.00 -0.90 -0.12 0.42 -0.85 0.00 0.00 174.74 173.29 2d8r s ILE 25 N 1.38 1.21 -0.06 0.60 -1.09 -1.22 -5.05 121.20 116.97 2d8r s ILE 25 Ca 0.04 -1.80 0.04 0.00 -2.23 0.00 0.00 60.65 56.70 2d8r s ILE 25 Cb -0.24 -1.58 -0.06 0.00 -1.58 0.00 0.00 42.46 39.00 2d8r s ILE 25 CO 0.01 -0.54 -0.01 -0.46 -1.23 0.00 0.00 174.94 172.71 2d8r n ASN 26 N 0.33 3.51 -3.71 3.58 0.23 -1.26 -5.05 115.26 112.90 2d8r n ASN 26 Ca -0.14 -0.01 -0.38 0.00 -0.53 0.00 0.00 54.58 53.51 2d8r n ASN 26 Cb 0.58 0.40 -0.01 0.00 -2.08 0.00 0.00 39.78 38.66 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 -2.38 1.17 -3.91 1.53 5.41 -1.26 -4.94 119.36 114.98 2d8r n ILE 27 Ca -0.11 -0.43 -0.24 0.00 1.00 0.00 0.00 62.75 62.98 2d8r n ILE 27 Cb 0.67 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.58 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 -0.85 6.33 -0.38 4.38 0.01 -1.26 -4.96 113.70 116.97 2d8r s SER 28 Ca 0.53 0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.83 2d8r s SER 28 Cb -0.68 -1.90 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2d8r s SER 28 CO 0.50 -0.03 0.23 -0.36 0.41 0.00 0.00 173.24 173.99 2d8r s PHE 29 N -1.88 3.24 -0.43 2.43 0.40 -1.26 -3.73 117.98 116.74 2d8r s PHE 29 Ca 0.35 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2d8r s PHE 29 Cb -0.10 -2.47 0.12 0.00 0.51 0.00 0.00 43.02 41.07 2d8r s PHE 29 CO 0.29 -0.60 0.20 -1.01 0.70 0.00 0.00 175.22 174.80 2d8r s HIS 30 N 1.60 3.57 1.22 0.36 3.76 -1.15 -4.97 115.29 119.68 2d8r s HIS 30 Ca 0.03 -2.75 -0.20 0.00 -0.15 0.00 0.00 55.06 51.99 2d8r s HIS 30 Cb -0.19 -3.07 0.31 0.00 1.11 0.00 0.00 32.58 30.74 2d8r s HIS 30 CO 0.08 -0.92 0.70 2.89 -0.85 0.00 0.00 174.74 176.64 2d8r n ARG 31 N 4.13 -4.02 -1.76 1.40 0.00 -1.26 -3.10 116.66 112.05 2d8r n ARG 31 Ca 0.02 -1.17 -0.32 0.00 -0.00 0.00 0.00 57.85 56.38 2d8r n ARG 31 Cb 0.40 -1.60 0.04 0.00 -0.00 0.00 0.00 32.46 31.30 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 -1.94 2.81 0.48 2.89 0.40 -1.26 -4.84 117.98 116.52 2d8r s PHE 32 Ca 0.54 1.52 -0.22 0.00 -0.60 0.00 0.00 56.93 58.17 2d8r s PHE 32 Cb -0.09 -3.05 -0.07 0.00 0.51 0.00 0.00 43.02 40.31 2d8r s PHE 32 CO 0.45 -1.44 1.15 -1.25 0.70 0.00 0.00 175.22 174.83 2d8r s PRO 33 N -4.34 3.64 0.00 0.24 0.04 -1.26 -4.94 135.00 128.38 2d8r s PRO 33 Ca 0.64 1.72 0.29 0.00 0.04 0.00 0.00 61.00 63.69 2d8r s PRO 33 Cb -0.18 -2.29 1.17 0.00 0.04 0.00 0.00 34.50 33.24 2d8r s PRO 33 CO 0.44 -0.64 1.88 1.28 0.04 0.00 0.00 177.00 180.00 2d8r n LEU 34 N -0.72 0.06 -4.82 -3.56 7.99 -1.26 -4.24 117.00 110.44 2d8r n LEU 34 Ca 0.09 0.43 -0.36 0.00 -0.01 0.00 0.00 56.01 56.16 2d8r n LEU 34 Cb 0.49 -0.46 -0.06 0.00 -0.11 0.00 0.00 43.42 43.28 2d8r n LEU 34 CO 0.46 0.01 0.42 -0.62 -1.51 0.00 0.00 177.39 176.15 2d8r s ASP 35 N -2.98 7.05 0.27 -1.43 2.15 -1.26 -4.95 116.67 115.52 2d8r s ASP 35 Ca 0.14 1.42 0.05 0.00 0.43 0.00 0.00 52.55 54.59 2d8r s ASP 35 Cb 0.19 -2.42 0.38 0.00 -0.30 0.00 0.00 42.92 40.77 2d8r s ASP 35 CO 0.55 0.02 1.65 1.55 -0.17 0.00 0.00 175.17 178.78 2d8r h PRO 36 N 3.38 0.28 -0.69 4.34 0.13 -1.98 0.36 132.00 137.82 2d8r h PRO 36 Ca -0.48 -0.14 -0.06 0.00 -0.87 0.00 0.00 66.00 64.45 2d8r h PRO 36 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2d8r h PRO 36 CO 0.65 0.68 0.19 0.87 -0.23 0.00 0.00 178.00 180.16 2d8r h LYS 37 N 0.23 1.08 0.00 0.86 1.57 -1.97 -3.01 116.57 115.33 2d8r h LYS 37 Ca 0.02 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.39 2d8r h LYS 37 Cb 0.90 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2d8r h LYS 37 CO 0.07 0.95 -0.91 0.00 -0.57 0.00 0.00 179.45 179.00 2d8r h ARG 38 N 1.02 0.00 -0.83 3.15 2.47 -1.90 -3.29 114.38 115.01 2d8r h ARG 38 Ca 0.22 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 59.08 2d8r h ARG 38 Cb 0.34 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.52 2d8r h ARG 38 CO -0.00 0.92 -0.29 -2.13 0.56 0.00 0.00 179.97 179.03 2d8r n ARG 39 N -4.49 -0.16 -0.14 0.04 0.63 0.13 0.20 116.66 112.87 2d8r n ARG 39 Ca -0.25 1.28 -0.04 0.00 -0.92 0.00 0.00 57.85 57.91 2d8r n ARG 39 Cb 0.60 -1.90 0.15 0.00 0.45 0.00 0.00 32.46 31.76 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 0.86 0.54 -0.14 1.57 -1.71 -2.90 116.57 114.80 2d8r h LYS 40 Ca 0.32 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2d8r h LYS 40 Cb 0.52 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.73 2d8r h LYS 40 CO -0.83 0.82 -0.26 0.93 -0.57 0.00 0.00 179.45 179.54 2d8r h GLU 41 N 0.82 -0.70 -0.78 3.15 4.39 0.23 -0.82 114.58 120.86 2d8r h GLU 41 Ca 0.17 0.05 0.18 0.00 0.34 0.00 0.00 59.36 60.09 2d8r h GLU 41 Cb 0.39 0.16 -0.14 0.00 -0.10 0.00 0.00 28.75 29.07 2d8r h GLU 41 CO 0.01 -0.41 0.01 -1.49 -1.16 0.00 0.00 179.01 175.97 2d8r h TRP 42 N -0.90 -0.04 0.00 4.33 4.06 -0.41 1.14 115.95 124.13 2d8r h TRP 42 Ca -0.07 0.06 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 2d8r h TRP 42 Cb 0.62 0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.92 2d8r h TRP 42 CO -0.01 -0.25 -0.14 0.28 -3.56 0.00 0.00 178.44 174.77 2d8r h VAL 43 N 0.10 0.35 0.00 1.49 2.07 -1.43 -2.35 116.25 116.47 2d8r h VAL 43 Ca 0.43 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 2d8r h VAL 43 Cb 0.76 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2d8r h VAL 43 CO -0.68 0.13 -0.96 -0.09 0.02 0.00 0.00 177.57 175.99 2d8r h ARG 44 N 0.00 0.00 0.00 1.57 9.65 0.24 -3.15 114.38 122.69 2d8r h ARG 44 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2d8r h ARG 44 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 2d8r h ARG 44 CO 0.02 0.14 -0.62 -0.07 2.80 0.00 0.00 179.97 182.24 2d8r h LEU 45 N 0.00 0.00 0.00 3.80 3.38 0.10 -3.29 115.31 119.30 2d8r h LEU 45 Ca -0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2d8r h LEU 45 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2d8r h LEU 45 CO 0.02 0.08 -1.07 0.55 0.09 0.00 0.00 178.44 178.11 2d8r n VAL 46 N -2.24 0.04 -3.49 1.22 3.14 -0.91 -4.97 118.33 111.11 2d8r n VAL 46 Ca 0.03 -0.12 -0.38 0.00 -2.96 0.00 0.00 64.34 60.91 2d8r n VAL 46 Cb 0.46 0.61 0.04 0.00 -1.06 0.00 0.00 33.84 33.88 2d8r n VAL 46 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2d8r n ARG 47 N -1.69 -1.94 -4.78 1.45 0.00 -1.19 -4.52 116.66 103.98 2d8r n ARG 47 Ca 0.03 1.44 -0.30 0.00 -0.00 0.00 0.00 57.85 59.02 2d8r n ARG 47 Cb 0.38 -2.19 -0.17 0.00 0.00 0.00 0.00 32.46 30.49 2d8r n ARG 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2d8r s ARG 48 N -2.51 2.64 0.08 -0.14 1.81 -1.26 -4.90 118.95 114.67 2d8r s ARG 48 Ca 0.37 -0.72 -0.31 0.00 -1.72 0.00 0.00 55.73 53.35 2d8r s ARG 48 Cb -0.04 -2.11 -0.09 0.00 -0.45 0.00 0.00 34.95 32.26 2d8r s ARG 48 CO 0.87 0.04 1.72 0.15 -0.68 0.00 0.00 175.30 177.40 2d8r s LYS 49 N 0.69 4.18 -1.23 3.54 1.02 -1.26 -3.13 119.74 123.54 2d8r s LYS 49 Ca -0.12 2.42 -0.25 0.00 0.02 0.00 0.00 55.97 58.05 2d8r s LYS 49 Cb -0.16 -3.62 0.03 0.00 -0.52 0.00 0.00 37.83 33.56 2d8r s LYS 49 CO 0.02 -0.78 0.47 0.09 -0.92 0.00 0.00 175.35 174.24 2d8r n ASN 50 N 5.71 -2.61 -4.58 2.83 4.13 -1.26 -4.94 115.26 114.54 2d8r n ASN 50 Ca 0.17 -1.23 -0.24 0.00 1.68 0.00 0.00 54.58 54.96 2d8r n ASN 50 Cb 0.40 -1.49 -0.09 0.00 -1.54 0.00 0.00 39.78 37.06 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 -3.80 2.50 -0.23 3.10 5.36 -1.18 -5.15 117.98 118.59 2d8r s PHE 51 Ca 0.35 -0.33 -0.28 0.00 -0.96 0.00 0.00 56.93 55.72 2d8r s PHE 51 Cb -0.20 -1.21 0.13 0.00 -0.34 0.00 0.00 43.02 41.41 2d8r s PHE 51 CO 0.93 0.62 1.07 0.08 -1.46 0.00 0.00 175.22 176.46 2d8r s VAL 52 N -2.45 0.00 0.66 3.12 1.01 -1.26 -5.03 120.40 116.45 2d8r s VAL 52 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 2d8r s VAL 52 Cb -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2d8r s VAL 52 CO 0.18 0.00 1.11 -2.16 0.00 0.00 0.00 175.10 174.23 2d8r s PRO 53 N -0.46 2.79 0.00 2.72 0.04 -1.26 -4.83 135.00 134.01 2d8r s PRO 53 Ca 0.02 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2d8r s PRO 53 Cb -0.03 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2d8r s PRO 53 CO -0.04 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.16 2d8r n GLY 54 N -0.54 -1.68 3.16 0.56 0.00 -1.26 -5.08 105.19 100.35 2d8r n GLY 54 Ca 0.10 0.58 -0.20 0.00 0.00 0.00 0.00 46.02 46.50 2d8r n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d8r s LYS 55 N 0.00 0.95 -1.18 1.61 2.36 -1.26 -4.73 119.74 117.49 2d8r s LYS 55 Ca 0.00 -0.81 0.00 0.00 -2.55 0.00 0.00 55.97 52.61 2d8r s LYS 55 Cb 0.00 -0.98 0.00 0.00 -1.05 0.00 0.00 37.83 35.80 2d8r s LYS 55 CO 0.00 0.24 0.00 0.72 1.55 0.00 0.00 175.35 177.86 2d8r n HIS 56 N 1.77 -0.35 -3.48 4.03 8.25 -1.26 -4.88 115.22 119.29 2d8r n HIS 56 Ca -0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.85 2d8r n HIS 56 Cb 0.54 -2.37 -0.08 0.00 1.12 0.00 0.00 29.99 29.20 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 -1.89 4.69 0.04 1.59 2.01 -1.26 -4.36 115.64 116.45 2d8r s THR 57 Ca 0.00 -1.38 -0.09 0.00 0.31 0.00 0.00 61.69 60.53 2d8r s THR 57 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.61 2d8r s THR 57 CO 0.00 -0.63 0.18 0.72 -0.69 0.00 0.00 174.62 174.20 2d8r s PHE 58 N 1.51 0.06 0.03 4.92 -0.12 -1.26 -4.38 117.98 118.75 2d8r s PHE 58 Ca 0.04 -0.28 0.06 0.00 -0.05 0.00 0.00 56.93 56.70 2d8r s PHE 58 Cb -0.25 -0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 2d8r s PHE 58 CO 0.03 -0.41 -0.13 -0.51 -0.05 0.00 0.00 175.22 174.15 2d8r s LEU 59 N -2.02 2.84 1.10 -1.99 1.43 -1.18 -2.65 118.68 116.21 2d8r s LEU 59 Ca -0.06 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 2d8r s LEU 59 Cb -0.02 -1.65 0.24 0.00 0.03 0.00 0.00 46.19 44.79 2d8r s LEU 59 CO -0.03 0.26 1.07 0.00 0.23 0.00 0.00 176.35 177.88 2d8r n SER 61 N -4.54 2.18 0.06 0.00 7.64 -1.24 -4.16 113.62 113.55 2d8r n SER 61 Ca 0.06 -1.69 -0.21 0.00 1.01 0.00 0.00 58.87 58.04 2d8r n SER 61 Cb 0.57 0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.69 2d8r n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2d8r h LYS 62 N 3.35 0.59 -0.19 1.43 1.79 -1.93 -3.32 116.57 118.28 2d8r h LYS 62 Ca 0.00 -0.72 0.05 0.00 -2.18 0.00 0.00 60.65 57.80 2d8r h LYS 62 Cb 0.74 0.23 -0.06 0.00 -1.58 0.00 0.00 32.23 31.56 2d8r h LYS 62 CO 0.00 1.31 -0.16 0.45 -1.08 0.00 0.00 179.45 179.97 2d8r h HIS 63 N 0.19 -0.40 -4.02 -1.35 3.86 -1.98 -3.42 115.15 108.04 2d8r h HIS 63 Ca -0.15 0.03 -0.48 0.00 -1.16 0.00 0.00 60.37 58.60 2d8r h HIS 63 Cb 1.73 0.21 0.03 0.00 1.06 0.00 0.00 27.41 30.44 2d8r h HIS 63 CO 0.12 -0.23 0.41 -0.06 0.86 0.00 0.00 177.93 179.04 2d8r s PHE 64 N -6.14 3.08 0.00 2.45 0.40 -1.25 -3.68 117.98 112.84 2d8r s PHE 64 Ca -0.14 1.60 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 2d8r s PHE 64 Cb 0.11 -3.15 0.00 0.00 0.51 0.00 0.00 43.02 40.50 2d8r s PHE 64 CO 0.68 -0.87 0.00 0.39 0.70 0.00 0.00 175.22 176.12 2d8r n GLU 65 N -0.53 0.00 0.00 0.44 1.02 -1.26 -4.96 120.64 115.35 2d8r n GLU 65 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 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 1.62 0.33 0.62 0.00 -1.26 -4.84 120.51 113.98 2d8r n ALA 66 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2d8r n ALA 66 Cb 0.00 0.00 1.07 0.00 0.00 0.00 0.00 19.45 20.52 2d8r n ALA 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2d8r h SER 67 N 0.00 0.00 1.35 0.00 0.02 -2.01 0.35 113.55 113.26 2d8r h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2d8r h SER 67 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2d8r h SER 67 CO 0.00 0.00 -0.33 0.00 -1.14 0.00 0.00 176.83 175.36 2d8r n PHE 69 N -2.49 -2.67 -1.99 0.00 3.72 0.12 -1.93 117.46 112.23 2d8r n PHE 69 Ca 0.04 -1.02 -0.02 0.00 -0.05 0.00 0.00 57.45 56.40 2d8r n PHE 69 Cb 0.48 -0.27 0.11 0.00 -0.94 0.00 0.00 39.48 38.86 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 -2.68 2.27 -0.54 4.37 -0.08 0.54 -4.70 116.55 115.72 2d8r n ASP 70 Ca 0.08 -3.31 0.43 0.00 -1.51 0.00 0.00 54.79 50.48 2d8r n ASP 70 Cb 0.29 -0.44 0.67 0.00 2.34 0.00 0.00 41.12 43.99 2d8r n ASP 70 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2d8r n LEU 71 N -0.65 0.07 -4.57 -2.67 4.32 -1.26 -3.86 117.00 108.38 2d8r n LEU 71 Ca 0.21 1.01 -0.14 0.00 -0.02 0.00 0.00 56.01 57.07 2d8r n LEU 71 Cb 0.86 -0.50 -0.09 0.00 -1.62 0.00 0.00 43.42 42.07 2d8r n LEU 71 CO 0.07 -1.05 1.16 0.28 -1.22 0.00 0.00 177.39 176.62 2d8r s THR 72 N -4.79 3.01 0.00 -5.08 -1.32 -1.26 -4.07 115.64 102.13 2d8r s THR 72 Ca -0.05 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 2d8r s THR 72 Cb 0.25 -3.42 0.00 0.00 -1.51 0.00 0.00 72.50 67.82 2d8r s THR 72 CO 0.76 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.76 2d8r n GLY 73 N 6.54 0.49 0.26 6.08 0.00 -1.25 -5.09 105.19 112.21 2d8r n GLY 73 Ca 0.45 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.62 2d8r n GLY 73 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2d8r n GLN 74 N 1.54 -0.58 -0.95 1.61 7.27 -1.26 -4.92 117.38 120.09 2d8r n GLN 74 Ca 0.00 0.46 -0.36 0.00 0.07 0.00 0.00 57.00 57.17 2d8r n GLN 74 Cb 0.00 -0.68 0.06 0.00 2.41 0.00 0.00 30.24 32.02 2d8r n GLN 74 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2d8r n THR 75 N -2.58 0.00 -1.70 1.69 5.66 -1.26 -4.62 114.28 111.47 2d8r n THR 75 Ca -0.01 -0.29 -0.40 0.00 -3.05 0.00 0.00 64.05 60.29 2d8r n THR 75 Cb 0.12 -0.11 0.02 0.00 -1.55 0.00 0.00 70.33 68.81 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 1.71 1.74 -3.70 1.09 1.74 -1.26 -4.57 116.66 113.41 2d8r n ARG 76 Ca -0.01 0.63 -0.12 0.00 -0.77 0.00 0.00 57.85 57.58 2d8r n ARG 76 Cb 0.62 -2.39 -0.12 0.00 -1.02 0.00 0.00 32.46 29.55 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 0.24 -0.32 5.56 0.52 -1.26 -4.90 118.95 116.37 2d8r s ARG 77 Ca 0.65 0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 56.26 2d8r s ARG 77 Cb -0.48 -0.04 0.02 0.00 0.52 0.00 0.00 34.95 34.97 2d8r s ARG 77 CO 0.55 -0.20 1.09 -1.17 0.02 0.00 0.00 175.30 175.58 2d8r s LEU 78 N 1.73 3.92 0.29 2.53 1.98 -1.26 0.20 118.68 128.07 2d8r s LEU 78 Ca -0.06 1.04 -0.29 0.00 -2.89 0.00 0.00 54.13 51.93 2d8r s LEU 78 Cb -0.11 -3.54 -0.10 0.00 0.66 0.00 0.00 46.19 43.10 2d8r s LEU 78 CO -0.10 -0.90 1.37 -0.54 -1.89 0.00 0.00 176.35 174.29 2d8r s LYS 79 N 3.69 4.31 0.66 1.98 1.02 -0.81 -4.87 119.74 125.72 2d8r s LYS 79 Ca 0.46 2.26 0.36 0.00 0.02 0.00 0.00 55.97 59.07 2d8r s LYS 79 Cb -0.12 -3.09 1.98 0.00 -0.52 0.00 0.00 37.83 36.08 2d8r s LYS 79 CO 0.16 -0.30 2.13 0.00 -0.92 0.00 0.00 175.35 176.42 2d8r h MET 80 N 4.13 0.00 -0.75 1.68 -0.00 -1.94 0.28 114.93 118.32 2d8r h MET 80 Ca -0.48 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 58.99 2d8r h MET 80 Cb 1.22 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.68 2d8r h MET 80 CO 0.71 0.00 0.29 -0.25 -0.00 0.00 0.00 176.91 177.66 2d8r n ASP 81 N -3.08 4.76 -4.43 -0.10 9.92 -1.26 -4.74 116.55 117.62 2d8r n ASP 81 Ca -0.02 -3.26 -0.33 0.00 -0.53 0.00 0.00 54.79 50.65 2d8r n ASP 81 Cb 0.25 -0.75 -0.13 0.00 -0.64 0.00 0.00 41.12 39.84 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 -3.02 2.74 0.14 2.24 0.00 0.97 -5.10 121.76 119.72 2d8r s ALA 82 Ca 0.55 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.73 2d8r s ALA 82 Cb 0.44 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2d8r s ALA 82 CO 0.13 0.30 -0.24 0.14 0.00 0.00 0.00 175.76 176.10 2d8r s VAL 83 N 0.15 2.08 -1.15 0.00 -7.23 -1.26 -4.89 120.40 108.09 2d8r s VAL 83 Ca -0.05 -1.79 -0.23 0.00 -1.81 0.00 0.00 61.98 58.09 2d8r s VAL 83 Cb -0.15 -1.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.81 2d8r s VAL 83 CO 0.04 -0.05 1.94 -2.16 -0.31 0.00 0.00 175.10 174.55 2d8r s PRO 84 N -2.27 2.50 -0.07 4.82 0.04 -1.26 -4.73 135.00 134.02 2d8r s PRO 84 Ca 0.14 -1.07 0.04 0.00 0.04 0.00 0.00 61.00 60.15 2d8r s PRO 84 Cb -0.09 -5.22 0.23 0.00 0.04 0.00 0.00 34.50 29.46 2d8r s PRO 84 CO 0.07 -3.92 0.87 0.25 0.04 0.00 0.00 177.00 174.30 2d8r n THR 85 N 7.81 0.82 0.00 1.26 -2.24 -1.26 -4.33 114.28 116.35 2d8r n THR 85 Ca 0.44 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2d8r n THR 85 Cb 0.47 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.17 0.00 -2.96 2.28 -0.00 -1.26 -5.10 119.36 112.49 2d8r n ILE 86 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.73 2d8r n ILE 86 Cb 0.53 -0.41 0.01 0.00 -0.00 0.00 0.00 39.64 39.77 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 -2.51 -3.31 -1.14 1.39 3.72 -1.24 -4.65 117.46 109.71 2d8r n PHE 87 Ca 0.00 1.33 -0.49 0.00 -0.05 0.00 0.00 57.45 58.24 2d8r n PHE 87 Cb 0.00 -3.86 -0.11 0.00 -0.94 0.00 0.00 39.48 34.57 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 -0.57 0.58 -3.05 4.37 8.00 -1.26 -4.88 116.55 119.74 2d8r n ASP 88 Ca 0.07 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.08 2d8r n ASP 88 Cb 0.49 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 7.13 -2.01 0.00 1.24 -1.74 -1.26 -5.01 117.46 115.80 2d8r n PHE 89 Ca 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.39 2d8r n PHE 89 Cb -0.02 0.00 0.00 0.00 1.52 0.00 0.00 39.48 40.98 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2d8r s THR 91 N -1.20 3.33 -0.26 0.00 -4.23 -1.26 -5.03 115.64 106.99 2d8r s THR 91 Ca 0.00 -1.23 0.13 0.00 -1.18 0.00 0.00 61.69 59.40 2d8r s THR 91 Cb 0.00 -3.15 0.61 0.00 1.34 0.00 0.00 72.50 71.30 2d8r s THR 91 CO 0.00 -0.10 1.58 1.41 -0.54 0.00 0.00 174.62 176.97 2d8r n HIS 92 N -1.54 1.55 -3.89 3.99 -0.00 -1.26 -4.94 115.22 109.13 2d8r n HIS 92 Ca 0.01 -1.15 -0.31 0.00 -0.00 0.00 0.00 57.72 56.28 2d8r n HIS 92 Cb 0.60 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 2d8r n HIS 92 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2d8r n ILE 93 N -0.49 -1.41 -2.25 1.59 5.41 -1.26 -0.34 119.36 120.60 2d8r n ILE 93 Ca 0.31 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 64.03 2d8r n ILE 93 Cb 1.11 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 2d8r n ILE 93 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2d8r n SER 94 N -2.64 -1.94 0.00 4.38 7.64 -1.26 -4.88 113.62 114.93 2d8r n SER 94 Ca 0.04 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2d8r n SER 94 Cb 0.52 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 -0.89 -0.08 3.71 0.23 0.00 0.54 -5.01 105.19 103.69 2d8r n GLY 95 Ca -0.02 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.01 1.12 -0.05 1.61 0.04 -1.26 -4.72 135.00 129.73 2d8r s PRO 96 Ca 0.00 0.77 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 2d8r s PRO 96 Cb 0.00 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.76 2d8r s PRO 96 CO 0.00 -2.33 0.08 0.43 0.04 0.00 0.00 177.00 175.23 2d8r n SER 97 N -3.93 -5.58 -3.68 6.66 7.64 -1.26 -5.00 113.62 108.47 2d8r n SER 97 Ca 0.07 1.58 -0.30 0.00 1.01 0.00 0.00 58.87 61.23 2d8r n SER 97 Cb 0.56 -4.70 -0.13 0.00 -1.01 0.00 0.00 64.21 58.92 2d8r n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8r s SER 98 N -0.53 3.67 0.00 6.43 0.15 -1.26 -5.11 113.70 117.05 2d8r s SER 98 Ca -0.10 -2.24 0.00 0.00 0.70 0.00 0.00 55.95 54.31 2d8r s SER 98 Cb 0.01 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 2d8r s SER 98 CO 0.26 -0.32 0.34 0.61 1.20 0.00 0.00 173.24 175.33