#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8r s THR 2 N 0.00 4.88 -0.25 3.34 2.01 -1.23 -4.85 115.64 119.54 1o8r s THR 2 Ca 0.00 0.51 -0.19 0.00 0.31 0.00 0.00 61.69 62.32 1o8r s THR 2 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1o8r s THR 2 CO 0.00 -0.19 0.54 -0.69 -0.69 0.00 0.00 174.62 173.60 1o8r s VAL 3 N -1.96 5.05 -0.15 3.82 1.01 0.57 -1.95 120.40 126.79 1o8r s VAL 3 Ca 0.49 0.95 -0.03 0.00 0.00 0.00 0.00 61.98 63.39 1o8r s VAL 3 Cb -0.11 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1o8r s VAL 3 CO 0.23 0.08 -0.06 -1.58 0.00 0.00 0.00 175.10 173.77 1o8r s GLN 4 N 2.30 3.60 0.00 2.72 0.74 -0.82 0.29 119.66 128.50 1o8r s GLN 4 Ca 0.23 -0.56 0.10 0.00 0.05 0.00 0.00 55.36 55.17 1o8r s GLN 4 Cb -0.16 -2.84 0.26 0.00 1.10 0.00 0.00 33.01 31.37 1o8r s GLN 4 CO 0.09 0.24 1.19 -0.25 -0.55 0.00 0.00 175.29 176.01 1o8r n ASP 5 N 3.51 2.74 0.00 6.67 8.00 -1.24 -4.82 116.55 131.42 1o8r n ASP 5 Ca -0.18 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.38 1o8r n ASP 5 Cb 0.53 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o8r n GLY 6 N 0.42 0.69 0.08 0.44 0.00 -1.26 -4.95 105.19 100.61 1o8r n GLY 6 Ca 0.10 0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.46 1o8r n GLY 6 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1o8r n ASN 7 N 0.00 0.25 -4.35 1.61 5.15 -1.26 -4.79 115.26 111.87 1o8r n ASN 7 Ca 0.00 -0.88 -0.30 0.00 -0.60 0.00 0.00 54.58 52.80 1o8r n ASN 7 Cb 0.00 -0.05 -0.15 0.00 -0.53 0.00 0.00 39.78 39.05 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1o8r s PHE 8 N -2.15 2.35 -0.12 1.20 0.40 -1.26 -5.11 117.98 113.29 1o8r s PHE 8 Ca 0.41 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 56.15 1o8r s PHE 8 Cb 0.21 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1o8r s PHE 8 CO 0.39 0.12 0.55 -1.54 0.70 0.00 0.00 175.22 175.44 1o8r s SER 9 N -1.17 6.74 -0.24 1.36 1.04 -1.26 -3.60 113.70 116.57 1o8r s SER 9 Ca 0.12 0.89 -0.05 0.00 0.48 0.00 0.00 55.95 57.38 1o8r s SER 9 Cb -0.10 -2.32 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 1o8r s SER 9 CO 0.02 -0.07 0.01 -0.36 0.98 0.00 0.00 173.24 173.81 1o8r s PHE 10 N 0.89 3.03 0.93 5.02 0.08 0.85 -4.91 117.98 123.87 1o8r s PHE 10 Ca 0.29 -0.85 -0.12 0.00 0.12 0.00 0.00 56.93 56.37 1o8r s PHE 10 Cb -0.16 -2.16 0.15 0.00 -0.57 0.00 0.00 43.02 40.28 1o8r s PHE 10 CO 0.12 -0.52 1.09 0.45 -0.10 0.00 0.00 175.22 176.27 1o8r s SER 11 N 1.51 3.18 0.00 1.36 0.15 -1.26 -0.32 113.70 118.32 1o8r s SER 11 Ca 0.05 1.34 0.25 0.00 0.70 0.00 0.00 55.95 58.29 1o8r s SER 11 Cb -0.15 -2.02 0.59 0.00 -1.71 0.00 0.00 66.02 62.73 1o8r s SER 11 CO -0.01 -2.80 1.48 0.18 1.20 0.00 0.00 173.24 173.29 1o8r n LEU 12 N -3.98 2.38 0.00 3.45 4.32 -1.26 -4.30 117.00 117.62 1o8r n LEU 12 Ca 0.06 -0.86 -0.00 0.00 -0.02 0.00 0.00 56.01 55.20 1o8r n LEU 12 Cb 0.56 -0.05 -0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1o8r n LEU 12 CO 0.56 0.43 0.14 -0.33 -1.22 0.00 0.00 177.39 176.97 1o8r h GLU 13 N 3.55 -0.00 -0.98 3.23 5.08 -1.92 -1.75 114.58 121.78 1o8r h GLU 13 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1o8r h GLU 13 Cb 0.76 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.92 1o8r h GLU 13 CO 0.00 -0.00 0.61 0.77 -1.00 0.00 0.00 179.01 179.39 1o8r h SER 14 N -0.01 0.72 0.35 1.42 0.02 -1.93 0.94 113.55 115.06 1o8r h SER 14 Ca -0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1o8r h SER 14 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1o8r h SER 14 CO 0.00 0.29 -0.17 0.58 -1.14 0.00 0.00 176.83 176.39 1o8r h VAL 15 N 0.72 0.59 0.08 2.27 2.07 -1.75 1.79 116.25 122.03 1o8r h VAL 15 Ca 0.54 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1o8r h VAL 15 Cb 0.89 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1o8r h VAL 15 CO -0.31 0.10 -0.34 0.50 0.02 0.00 0.00 177.57 177.55 1o8r h LYS 16 N -0.84 -0.52 -0.01 1.57 3.64 -0.72 0.26 116.57 119.95 1o8r h LYS 16 Ca -0.05 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1o8r h LYS 16 Cb 0.53 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1o8r h LYS 16 CO 0.08 -0.35 0.00 1.17 -2.27 0.00 0.00 179.45 178.08 1o8r n LYS 17 N -5.42 1.03 -0.27 1.90 4.81 0.27 -3.97 118.16 116.51 1o8r n LYS 17 Ca -0.06 -0.04 0.01 0.00 -0.87 0.00 0.00 58.31 57.35 1o8r n LYS 17 Cb 0.34 -1.07 0.14 0.00 0.02 0.00 0.00 35.03 34.46 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1o8r h LEU 18 N 0.07 0.62 -0.14 3.14 6.46 0.64 -2.19 115.31 123.92 1o8r h LEU 18 Ca 0.00 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1o8r h LEU 18 Cb 0.02 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1o8r h LEU 18 CO 0.00 0.37 0.04 0.50 -0.62 0.00 0.00 178.44 178.74 1o8r h LYS 19 N 0.75 0.11 -4.52 1.25 3.64 -1.72 -3.37 116.57 112.71 1o8r h LYS 19 Ca 0.36 -0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 59.01 1o8r h LYS 19 Cb 0.30 -0.02 -0.21 0.00 -0.41 0.00 0.00 32.23 31.88 1o8r h LYS 19 CO -0.23 0.07 -0.29 0.34 -2.27 0.00 0.00 179.45 177.07 1o8r s ASP 20 N -5.27 6.15 -0.17 4.20 2.15 -0.82 -5.04 116.67 117.88 1o8r s ASP 20 Ca -0.13 -1.06 -0.02 0.00 0.43 0.00 0.00 52.55 51.77 1o8r s ASP 20 Cb 0.08 -2.20 -0.01 0.00 -0.30 0.00 0.00 42.92 40.49 1o8r s ASP 20 CO 0.68 -0.61 -0.09 -0.22 -0.17 0.00 0.00 175.17 174.76 1o8r s LEU 21 N 1.85 2.82 0.17 -1.34 1.98 -1.25 -4.83 118.68 118.06 1o8r s LEU 21 Ca 0.07 -0.35 0.11 0.00 -2.89 0.00 0.00 54.13 51.07 1o8r s LEU 21 Cb -0.21 -1.67 -0.04 0.00 0.66 0.00 0.00 46.19 44.92 1o8r s LEU 21 CO 0.09 0.08 -0.24 -1.10 -1.89 0.00 0.00 176.35 173.30 1o8r s GLN 22 N 0.85 1.42 0.21 1.98 -0.21 -1.26 -5.03 119.66 117.62 1o8r s GLN 22 Ca -0.03 -1.43 -0.16 0.00 0.02 0.00 0.00 55.36 53.76 1o8r s GLN 22 Cb -0.15 -1.75 0.22 0.00 1.00 0.00 0.00 33.01 32.33 1o8r s GLN 22 CO 0.01 0.39 1.60 0.93 -2.12 0.00 0.00 175.29 176.09 1o8r h GLU 23 N 3.46 -0.07 -7.07 2.91 4.39 -2.02 -3.40 114.58 112.78 1o8r h GLU 23 Ca -0.47 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.69 1o8r h GLU 23 Cb 1.20 0.02 0.14 0.00 -0.10 0.00 0.00 28.75 30.00 1o8r h GLU 23 CO 0.45 -0.04 0.56 -2.14 -1.16 0.00 0.00 179.01 176.68 1o8r s PRO 24 N -6.12 2.95 0.39 2.33 0.02 -1.26 -5.02 135.00 128.28 1o8r s PRO 24 Ca -0.14 2.12 0.06 0.00 0.02 0.00 0.00 61.00 63.06 1o8r s PRO 24 Cb 0.19 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1o8r s PRO 24 CO 0.72 -1.31 0.55 -1.14 -0.33 0.00 0.00 177.00 175.49 1o8r s GLN 25 N -3.10 2.97 -0.72 5.54 0.74 -1.26 -5.06 119.66 118.77 1o8r s GLN 25 Ca 0.76 -1.02 -0.01 0.00 0.05 0.00 0.00 55.36 55.14 1o8r s GLN 25 Cb -0.38 -2.75 0.18 0.00 1.10 0.00 0.00 33.01 31.16 1o8r s GLN 25 CO 0.43 -0.15 0.55 -1.83 -0.55 0.00 0.00 175.29 173.74 1o8r s GLU 26 N -4.32 2.74 0.36 1.67 -1.05 -1.26 -4.89 118.70 111.95 1o8r s GLU 26 Ca 0.50 -2.92 0.24 0.00 -0.15 0.00 0.00 54.97 52.64 1o8r s GLU 26 Cb -0.10 -3.73 1.30 0.00 -0.44 0.00 0.00 34.13 31.17 1o8r s GLU 26 CO 0.33 -1.22 1.75 -1.35 0.95 0.00 0.00 175.26 175.72 1o8r h PRO 27 N 6.39 0.00 -6.92 -4.83 0.10 -2.05 -3.44 132.00 121.26 1o8r h PRO 27 Ca 0.06 0.00 -0.56 0.00 0.10 0.00 0.00 66.00 65.60 1o8r h PRO 27 Cb 0.87 0.00 0.17 0.00 0.10 0.00 0.00 31.00 32.15 1o8r h PRO 27 CO 0.76 0.00 0.08 0.54 0.10 0.00 0.00 178.00 179.48 1o8r n ARG 28 N -2.36 0.58 -3.00 1.05 1.74 -1.26 -4.95 116.66 108.46 1o8r n ARG 28 Ca -0.01 0.25 -0.34 0.00 -0.77 0.00 0.00 57.85 56.98 1o8r n ARG 28 Cb 0.06 -2.19 -0.06 0.00 -1.02 0.00 0.00 32.46 29.24 1o8r n ARG 28 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1o8r s VAL 29 N -1.75 4.52 -0.89 1.55 1.01 -1.26 -4.91 120.40 118.67 1o8r s VAL 29 Ca 0.74 1.27 -0.06 0.00 0.00 0.00 0.00 61.98 63.93 1o8r s VAL 29 Cb -0.36 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1o8r s VAL 29 CO 0.50 -0.10 2.07 0.61 0.00 0.00 0.00 175.10 178.18 1o8r n GLY 30 N -0.11 3.06 0.04 4.51 0.00 -1.26 -4.39 105.19 107.04 1o8r n GLY 30 Ca 0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 1o8r n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o8r n LYS 31 N 4.28 0.23 0.00 1.61 5.02 -1.26 -4.46 118.16 123.58 1o8r n LYS 31 Ca 0.43 0.36 0.14 0.00 -2.02 0.00 0.00 58.31 57.22 1o8r n LYS 31 Cb 0.13 -1.19 0.51 0.00 -0.02 0.00 0.00 35.03 34.45 1o8r n LYS 31 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1o8r n LEU 32 N -3.43 1.40 -4.02 -0.35 4.77 -1.26 -4.71 117.00 109.40 1o8r n LEU 32 Ca -0.04 -0.45 -0.32 0.00 -0.03 0.00 0.00 56.01 55.17 1o8r n LEU 32 Cb 0.14 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 1o8r n LEU 32 CO 0.06 0.24 1.40 0.54 -1.33 0.00 0.00 177.39 178.30 1o8r n ARG 33 N 0.03 0.38 -0.72 3.23 1.74 -1.26 -4.34 116.66 115.71 1o8r n ARG 33 Ca 0.18 -1.51 0.05 0.00 -0.77 0.00 0.00 57.85 55.80 1o8r n ARG 33 Cb 0.35 -3.21 0.09 0.00 -1.02 0.00 0.00 32.46 28.67 1o8r n ARG 33 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1o8r n ASN 34 N 13.42 1.20 -2.59 0.55 5.03 -1.26 -4.68 115.26 126.93 1o8r n ASN 34 Ca 0.45 -2.69 -0.31 0.00 0.87 0.00 0.00 54.58 52.90 1o8r n ASN 34 Cb 0.44 -0.36 0.02 0.00 -1.02 0.00 0.00 39.78 38.86 1o8r n ASN 34 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1o8r n PHE 35 N -0.43 3.24 -1.82 3.10 3.72 -1.25 -4.35 117.46 119.66 1o8r n PHE 35 Ca 0.10 -2.81 -0.40 0.00 -0.05 0.00 0.00 57.45 54.28 1o8r n PHE 35 Cb 0.81 -0.49 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o8r s ALA 36 N -3.72 3.27 0.00 4.37 0.00 -1.26 -4.80 121.76 119.61 1o8r s ALA 36 Ca 0.50 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1o8r s ALA 36 Cb 0.42 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1o8r s ALA 36 CO -0.25 -1.15 0.37 -0.35 0.00 0.00 0.00 175.76 174.38 1o8r n PRO 37 N -0.10 0.36 -1.86 0.00 -0.05 -1.26 -4.86 135.00 127.22 1o8r n PRO 37 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.50 1o8r n PRO 37 Cb 0.42 -1.32 0.00 0.00 -0.05 0.00 0.00 33.50 32.55 1o8r n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1o8r n ILE 38 N 0.83 -5.55 -0.68 0.52 5.41 -1.26 -4.89 119.36 113.75 1o8r n ILE 38 Ca 0.00 2.57 -0.30 0.00 1.00 0.00 0.00 62.75 66.02 1o8r n ILE 38 Cb 0.18 -3.37 0.20 0.00 -0.71 0.00 0.00 39.64 35.94 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1o8r s PRO 39 N -2.43 0.26 0.00 0.38 0.02 -1.26 -4.73 135.00 127.23 1o8r s PRO 39 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.23 1o8r s PRO 39 Cb 0.00 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.86 1o8r s PRO 39 CO 0.00 -3.04 0.00 0.41 -0.33 0.00 0.00 177.00 174.04 1o8r n GLY 40 N 0.34 0.22 2.74 0.52 0.00 -1.26 -5.06 105.19 102.69 1o8r n GLY 40 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1o8r n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1o8r n GLU 41 N 0.00 2.14 -1.84 1.61 0.28 -1.26 -5.07 120.64 116.51 1o8r n GLU 41 Ca 0.00 -4.56 -0.42 0.00 -0.16 0.00 0.00 57.16 52.02 1o8r n GLU 41 Cb 0.00 -2.29 -0.03 0.00 1.43 0.00 0.00 31.44 30.55 1o8r n GLU 41 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1o8r s PRO 42 N -1.84 4.17 0.01 3.44 0.05 -1.26 -4.91 135.00 134.66 1o8r s PRO 42 Ca 0.30 2.47 0.02 0.00 0.05 0.00 0.00 61.00 63.84 1o8r s PRO 42 Cb 0.03 -3.27 -0.01 0.00 0.05 0.00 0.00 34.50 31.30 1o8r s PRO 42 CO -0.11 -0.71 -0.06 0.14 0.05 0.00 0.00 177.00 176.31 1o8r s VAL 43 N 1.64 0.48 0.00 -0.36 -7.23 -1.26 -4.96 120.40 108.71 1o8r s VAL 43 Ca 0.74 -0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1o8r s VAL 43 Cb -0.45 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.04 1o8r s VAL 43 CO 0.32 -0.02 0.00 0.52 -0.31 0.00 0.00 175.10 175.61 1o8r n VAL 44 N 2.50 0.00 0.28 1.32 0.31 -1.26 -4.80 118.33 116.68 1o8r n VAL 44 Ca -0.16 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.35 1o8r n VAL 44 Cb 0.57 0.00 0.93 0.00 -0.91 0.00 0.00 33.84 34.43 1o8r n VAL 44 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1o8r h PRO 45 N 0.00 0.00 -1.30 5.55 0.11 -1.93 -2.38 132.00 132.05 1o8r h PRO 45 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 1o8r h PRO 45 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 30.97 1o8r h PRO 45 CO 0.00 0.00 0.36 -0.89 -0.21 0.00 0.00 178.00 177.26 1o8r n ILE 46 N -2.77 2.42 -3.16 4.15 5.41 -1.26 -4.87 119.36 119.29 1o8r n ILE 46 Ca -0.02 -1.28 -0.13 0.00 1.00 0.00 0.00 62.75 62.32 1o8r n ILE 46 Cb 0.09 -1.09 0.01 0.00 -0.71 0.00 0.00 39.64 37.94 1o8r n ILE 46 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1o8r n LEU 47 N 0.11 -5.87 -3.05 1.39 7.99 -0.90 -4.19 117.00 112.48 1o8r n LEU 47 Ca 0.28 0.01 -0.01 0.00 -0.01 0.00 0.00 56.01 56.29 1o8r n LEU 47 Cb 0.78 -2.85 -0.00 0.00 -0.11 0.00 0.00 43.42 41.24 1o8r n LEU 47 CO 0.33 -1.20 -0.28 0.00 -1.51 0.00 0.00 177.39 174.72 1o8r h SER 49 N 4.30 -1.31 -3.45 0.00 0.87 -1.86 -3.38 113.55 108.73 1o8r h SER 49 Ca -0.05 0.09 -0.57 0.00 -1.23 0.00 0.00 61.79 60.02 1o8r h SER 49 Cb 0.49 0.40 -0.07 0.00 -0.44 0.00 0.00 62.40 62.79 1o8r h SER 49 CO 0.01 -0.71 0.86 0.20 -0.53 0.00 0.00 176.83 176.65 1o8r s ASN 50 N -4.21 6.82 0.00 6.23 -0.87 -1.26 -4.87 114.94 116.79 1o8r s ASN 50 Ca -0.18 0.83 0.03 0.00 -1.57 0.00 0.00 52.86 51.97 1o8r s ASN 50 Cb 0.03 -2.54 0.13 0.00 -0.02 0.00 0.00 41.25 38.86 1o8r s ASN 50 CO 0.59 -1.00 0.86 -2.65 -2.57 0.00 0.00 177.10 172.34 1o8r n PRO 51 N 7.18 0.04 -1.99 -0.60 -0.02 -1.26 -2.06 135.00 136.28 1o8r n PRO 51 Ca 0.12 0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 1o8r n PRO 51 Cb 0.48 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.49 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1o8r n ASN 52 N -1.25 1.17 -2.94 2.55 3.02 -1.26 -5.06 115.26 111.49 1o8r n ASN 52 Ca 0.01 -2.01 -0.14 0.00 -0.03 0.00 0.00 54.58 52.42 1o8r n ASN 52 Cb 0.02 -0.35 0.11 0.00 -0.61 0.00 0.00 39.78 38.94 1o8r n ASN 52 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1o8r n PHE 53 N 0.08 -3.73 -0.76 3.10 -1.74 -0.88 -4.73 117.46 108.80 1o8r n PHE 53 Ca 0.06 -0.51 -0.34 0.00 -0.56 0.00 0.00 57.45 56.10 1o8r n PHE 53 Cb 1.02 -0.51 -0.11 0.00 1.52 0.00 0.00 39.48 41.40 1o8r n PHE 53 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 1o8r n PRO 54 N -2.67 0.02 -0.46 3.97 -0.01 -1.26 -4.66 135.00 129.93 1o8r n PRO 54 Ca 0.07 -1.03 0.38 0.00 -0.01 0.00 0.00 63.50 62.92 1o8r n PRO 54 Cb 0.27 -2.62 0.66 0.00 -0.01 0.00 0.00 33.50 31.81 1o8r n PRO 54 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1o8r h GLU 55 N 10.05 0.05 0.00 -0.52 4.81 -1.95 2.52 114.58 129.54 1o8r h GLU 55 Ca 0.18 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1o8r h GLU 55 Cb 0.75 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1o8r h GLU 55 CO 1.69 0.03 0.35 0.93 -0.73 0.00 0.00 179.01 181.28 1o8r h GLU 56 N 0.05 0.00 -0.64 1.92 5.08 -1.97 1.88 114.58 120.91 1o8r h GLU 56 Ca 0.85 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.21 1o8r h GLU 56 Cb 2.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.95 1o8r h GLU 56 CO -0.44 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.85 1o8r n LEU 57 N -2.76 3.92 -0.37 1.33 4.32 0.85 -4.56 117.00 119.72 1o8r n LEU 57 Ca -0.02 -1.98 0.02 0.00 -0.02 0.00 0.00 56.01 54.01 1o8r n LEU 57 Cb 0.39 -0.54 0.08 0.00 -1.62 0.00 0.00 43.42 41.73 1o8r n LEU 57 CO 0.12 0.60 0.61 1.17 -1.22 0.00 0.00 177.39 178.67 1o8r n LYS 58 N 0.70 -0.18 -0.23 3.23 0.00 0.64 0.65 118.16 122.97 1o8r n LYS 58 Ca 0.20 1.53 0.02 0.00 0.00 0.00 0.00 58.31 60.06 1o8r n LYS 58 Cb 0.77 -2.27 0.14 0.00 0.00 0.00 0.00 35.03 33.67 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1o8r h PRO 59 N 0.00 0.45 -0.64 1.64 0.10 -1.82 0.77 132.00 132.50 1o8r h PRO 59 Ca 0.39 -0.03 0.03 0.00 0.10 0.00 0.00 66.00 66.50 1o8r h PRO 59 Cb 0.64 -0.10 -0.04 0.00 0.10 0.00 0.00 31.00 31.60 1o8r h PRO 59 CO -0.99 0.30 0.42 -0.07 0.10 0.00 0.00 178.00 177.76 1o8r h LEU 60 N 0.46 0.67 -1.92 2.35 3.38 -0.13 -0.15 115.31 119.98 1o8r h LEU 60 Ca 0.35 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1o8r h LEU 60 Cb 0.46 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1o8r h LEU 60 CO -0.33 0.46 -0.12 0.00 0.09 0.00 0.00 178.44 178.54 1o8r n LYS 62 N -3.68 1.83 -5.21 0.00 5.02 -0.14 -4.46 118.16 111.52 1o8r n LYS 62 Ca -0.02 -3.20 -0.31 0.00 -2.02 0.00 0.00 58.31 52.76 1o8r n LYS 62 Cb 0.23 -1.80 -0.15 0.00 -0.02 0.00 0.00 35.03 33.29 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1o8r s GLU 63 N -3.25 2.21 0.51 1.97 8.01 -0.75 -5.00 118.70 122.41 1o8r s GLU 63 Ca 0.44 -0.87 0.22 0.00 0.01 0.00 0.00 54.97 54.77 1o8r s GLU 63 Cb 0.40 -2.13 1.37 0.00 -4.31 0.00 0.00 34.13 29.47 1o8r s GLU 63 CO -0.01 0.57 2.10 -1.35 0.01 0.00 0.00 175.26 176.59 1o8r h PRO 64 N 5.46 0.00 0.00 0.39 0.11 -1.91 -0.90 132.00 135.15 1o8r h PRO 64 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1o8r h PRO 64 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1o8r h PRO 64 CO 0.48 0.09 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.42 1o8r h ASN 65 N 0.00 0.00 -1.03 -2.05 2.35 -1.94 -3.32 115.58 109.59 1o8r h ASN 65 Ca -0.00 -0.01 0.35 0.00 -0.55 0.00 0.00 56.30 56.09 1o8r h ASN 65 Cb 0.20 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.41 1o8r h ASN 65 CO 0.01 0.00 0.59 0.00 -1.65 0.00 0.00 177.43 176.38 1o8r h ALA 66 N 2.33 2.07 -0.74 -0.83 0.00 -1.32 0.64 119.26 121.41 1o8r h ALA 66 Ca 0.00 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1o8r h ALA 66 Cb 0.84 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1o8r h ALA 66 CO 0.00 -0.72 0.38 0.37 0.00 0.00 0.00 179.25 179.28 1o8r h GLN 67 N 0.23 0.61 0.23 0.00 4.15 -1.76 0.55 115.11 119.12 1o8r h GLN 67 Ca 0.77 -0.04 -0.32 0.00 0.77 0.00 0.00 58.65 59.82 1o8r h GLN 67 Cb 1.87 -0.14 0.03 0.00 0.21 0.00 0.00 27.48 29.45 1o8r h GLN 67 CO -0.62 0.41 -1.43 1.49 -1.93 0.00 0.00 178.83 176.74 1o8r h GLU 68 N 0.63 0.48 0.44 1.69 4.81 -0.11 -3.30 114.58 119.22 1o8r h GLU 68 Ca 0.37 -0.82 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1o8r h GLU 68 Cb 0.39 0.31 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1o8r h GLU 68 CO -0.27 1.39 -0.21 0.82 -0.73 0.00 0.00 179.01 180.01 1o8r h ILE 69 N 0.13 0.55 -0.42 2.32 2.04 -0.28 -2.65 117.51 119.20 1o8r h ILE 69 Ca -0.23 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.39 1o8r h ILE 69 Cb 2.13 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.83 1o8r h ILE 69 CO 0.26 0.05 -0.32 0.25 0.00 0.00 0.00 178.15 178.39 1o8r h LEU 70 N -0.76 -1.12 -0.49 1.44 7.12 -0.06 0.37 115.31 121.81 1o8r h LEU 70 Ca -0.06 0.16 0.09 0.00 0.13 0.00 0.00 57.88 58.20 1o8r h LEU 70 Cb 0.53 0.48 -0.10 0.00 -0.53 0.00 0.00 40.66 41.04 1o8r h LEU 70 CO 0.10 -0.16 -0.29 1.56 -0.13 0.00 0.00 178.44 179.52 1o8r h GLN 71 N -0.09 -0.17 0.01 1.25 4.20 -1.63 -0.68 115.11 118.01 1o8r h GLN 71 Ca 0.07 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.82 1o8r h GLN 71 Cb 0.26 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1o8r h GLN 71 CO -0.44 -0.11 -0.23 0.00 -0.67 0.00 0.00 178.83 177.38 1o8r h ARG 72 N -0.18 -0.35 -0.36 1.46 3.08 -0.75 -1.47 114.38 115.82 1o8r h ARG 72 Ca 0.21 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.36 1o8r h ARG 72 Cb 0.52 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.57 1o8r h ARG 72 CO -0.59 -0.23 -0.25 -0.07 -1.07 0.00 0.00 179.97 177.76 1o8r h LEU 73 N -0.36 -0.83 -0.67 3.04 3.38 0.68 -0.35 115.31 120.20 1o8r h LEU 73 Ca 0.06 0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1o8r h LEU 73 Cb 0.44 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 1o8r h LEU 73 CO -0.19 -0.28 0.26 -0.33 0.09 0.00 0.00 178.44 177.99 1o8r h GLU 74 N -0.20 0.43 0.25 1.13 5.08 -0.69 0.72 114.58 121.30 1o8r h GLU 74 Ca 0.17 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1o8r h GLU 74 Cb 0.48 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1o8r h GLU 74 CO -0.47 0.28 -0.22 1.49 -1.00 0.00 0.00 179.01 179.09 1o8r h GLU 75 N 0.44 -0.47 -0.72 2.33 4.81 -0.05 -1.95 114.58 118.97 1o8r h GLU 75 Ca 0.35 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1o8r h GLU 75 Cb 0.45 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1o8r h GLU 75 CO -0.33 -0.31 0.48 0.82 -0.73 0.00 0.00 179.01 178.93 1o8r h ILE 76 N -0.49 1.15 -0.51 2.32 1.08 -0.72 -0.70 117.51 119.65 1o8r h ILE 76 Ca -0.01 -0.32 0.05 0.00 -0.39 0.00 0.00 64.86 64.19 1o8r h ILE 76 Cb 0.44 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1o8r h ILE 76 CO -0.03 0.17 0.34 0.00 -0.69 0.00 0.00 178.15 177.94 1o8r h ALA 77 N 1.57 1.86 -0.97 1.87 0.00 -0.22 -1.48 119.26 121.88 1o8r h ALA 77 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1o8r h ALA 77 Cb -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1o8r h ALA 77 CO -0.07 0.06 0.63 1.49 0.00 0.00 0.00 179.25 181.36 1o8r h GLU 78 N 0.49 1.30 -3.58 0.00 4.81 -0.40 -3.38 114.58 113.82 1o8r h GLU 78 Ca 0.21 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1o8r h GLU 78 Cb 0.24 -0.29 -0.18 0.00 0.63 0.00 0.00 28.75 29.15 1o8r h GLU 78 CO -0.06 0.87 -0.45 -0.51 -0.73 0.00 0.00 179.01 178.14 1o8r s ASP 79 N -6.13 0.05 0.07 1.04 1.01 -0.56 -3.77 116.67 108.39 1o8r s ASP 79 Ca -0.13 -0.34 -0.36 0.00 0.71 0.00 0.00 52.55 52.44 1o8r s ASP 79 Cb 0.18 0.25 -0.20 0.00 1.01 0.00 0.00 42.92 44.16 1o8r s ASP 79 CO 0.82 -0.48 1.59 -0.65 0.21 0.00 0.00 175.17 176.66 1o8r h PRO 80 N 3.77 -1.12 0.00 8.23 0.10 -1.86 -3.42 132.00 137.70 1o8r h PRO 80 Ca -0.32 0.08 0.00 0.00 0.10 0.00 0.00 66.00 65.86 1o8r h PRO 80 Cb 1.19 0.25 0.00 0.00 0.10 0.00 0.00 31.00 32.54 1o8r h PRO 80 CO 0.46 -0.74 0.00 0.41 0.10 0.00 0.00 178.00 178.23 1o8r n GLY 81 N -1.59 0.32 0.18 -0.55 0.00 -1.26 -3.40 105.19 98.89 1o8r n GLY 81 Ca -0.15 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.06 1o8r n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1o8r h THR 82 N 0.00 0.22 -0.02 2.61 1.35 -1.97 -3.34 112.91 111.76 1o8r h THR 82 Ca 0.00 -1.32 0.03 0.00 -0.55 0.00 0.00 66.41 64.57 1o8r h THR 82 Cb 0.00 2.01 -0.04 0.00 -1.73 0.00 0.00 68.15 68.38 1o8r h THR 82 CO 0.00 0.12 -0.22 0.00 -0.25 0.00 0.00 175.52 175.17 1o8r h GLU 84 N -0.34 0.00 -0.64 0.00 4.81 -1.71 -1.04 114.58 115.65 1o8r h GLU 84 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1o8r h GLU 84 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1o8r h GLU 84 CO -0.21 0.02 0.00 0.44 -0.73 0.00 0.00 179.01 178.52 1o8r n ILE 85 N -4.40 1.41 -1.13 2.32 -5.35 -0.52 -4.89 119.36 106.79 1o8r n ILE 85 Ca -0.03 -0.99 -0.08 0.00 -0.27 0.00 0.00 62.75 61.38 1o8r n ILE 85 Cb 0.10 0.17 -0.04 0.00 -1.74 0.00 0.00 39.64 38.13 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r n ALA 87 N 0.81 1.26 -2.99 0.00 0.00 -0.31 -4.75 120.51 114.53 1o8r n ALA 87 Ca -0.08 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1o8r n ALA 87 Cb 0.46 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 1o8r n ALA 87 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1o8r s TYR 88 N -3.25 0.71 -2.00 0.00 2.02 -1.25 -5.01 117.35 108.57 1o8r s TYR 88 Ca 0.01 -1.02 0.16 0.00 -0.37 0.00 0.00 57.07 55.85 1o8r s TYR 88 Cb 0.06 0.03 0.97 0.00 -0.40 0.00 0.00 41.96 42.62 1o8r s TYR 88 CO 0.19 -1.04 1.50 0.00 -1.57 0.00 0.00 175.55 174.63 1o8r n ALA 89 N -0.45 2.42 0.02 3.71 0.00 -1.26 -3.61 120.51 121.34 1o8r n ALA 89 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1o8r n ALA 89 Cb 0.62 -1.26 0.39 0.00 0.00 0.00 0.00 19.45 19.20 1o8r n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o8r h ALA 90 N 3.26 1.60 -3.13 0.00 0.00 -1.92 -3.41 119.26 115.65 1o8r h ALA 90 Ca 0.00 -0.10 -0.64 0.00 0.00 0.00 0.00 54.91 54.17 1o8r h ALA 90 Cb 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 17.79 17.44 1o8r h ALA 90 CO 0.00 0.32 -0.62 0.00 0.00 0.00 0.00 179.25 178.95 1o8r s THR 92 N 0.94 3.85 0.00 0.00 -4.23 -0.82 -4.51 115.64 110.87 1o8r s THR 92 Ca 0.03 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1o8r s THR 92 Cb -0.14 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1o8r s THR 92 CO 0.02 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1o8r n GLY 93 N 0.16 3.45 0.00 3.99 0.00 -1.26 -3.47 105.19 108.05 1o8r n GLY 93 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32