#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 1.65 -0.30 2.52 2.01 -0.94 -4.92 115.64 115.67 1o8r s THR 2 Ca 0.00 -1.72 -0.20 0.00 0.31 0.00 0.00 61.69 60.09 1o8r s THR 2 Cb 0.00 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1o8r s THR 2 CO 0.00 -0.24 0.59 0.54 -0.69 0.00 0.00 174.62 174.83 1o8r s VAL 3 N -1.71 4.98 -0.07 3.82 0.11 -0.48 -1.06 120.40 126.00 1o8r s VAL 3 Ca 0.10 0.83 0.01 0.00 -2.93 0.00 0.00 61.98 59.99 1o8r s VAL 3 Cb -0.07 -3.96 -0.03 0.00 -1.53 0.00 0.00 36.38 30.79 1o8r s VAL 3 CO 0.05 -0.09 -0.07 -1.10 -3.33 0.00 0.00 175.10 170.56 1o8r s GLN 4 N 2.52 2.77 0.00 1.54 -0.21 -0.83 0.20 119.66 125.65 1o8r s GLN 4 Ca 0.24 -0.54 0.13 0.00 0.02 0.00 0.00 55.36 55.21 1o8r s GLN 4 Cb -0.15 -2.60 0.37 0.00 1.00 0.00 0.00 33.01 31.62 1o8r s GLN 4 CO 0.11 0.66 1.30 -0.25 -2.12 0.00 0.00 175.29 174.99 1o8r n ASP 5 N 2.24 3.10 0.00 5.90 8.00 -1.23 -4.81 116.55 129.76 1o8r n ASP 5 Ca -0.18 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.34 1o8r n ASP 5 Cb 0.53 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.75 -0.85 0.00 0.44 0.00 -1.26 -4.93 105.19 99.34 1o8r n GLY 6 Ca 0.14 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.37 1o8r n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o8r n ASN 7 N 0.00 0.00 -4.51 1.61 5.03 -1.26 -4.79 115.26 111.34 1o8r n ASN 7 Ca 0.00 -1.47 -0.24 0.00 0.87 0.00 0.00 54.58 53.73 1o8r n ASN 7 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.66 1o8r n ASN 7 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1o8r s PHE 8 N -2.00 2.36 -0.10 3.10 2.19 -1.26 -5.14 117.98 117.13 1o8r s PHE 8 Ca 0.25 -0.36 0.02 0.00 0.33 0.00 0.00 56.93 57.16 1o8r s PHE 8 Cb 0.11 -1.12 -0.02 0.00 -1.31 0.00 0.00 43.02 40.69 1o8r s PHE 8 CO 0.19 0.67 -0.16 -1.54 1.83 0.00 0.00 175.22 176.21 1o8r s SER 9 N -3.55 3.79 -0.20 6.13 1.04 -1.26 -3.46 113.70 116.18 1o8r s SER 9 Ca 0.31 -0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.36 1o8r s SER 9 Cb -0.03 -1.30 -0.01 0.00 0.10 0.00 0.00 66.02 64.78 1o8r s SER 9 CO 0.16 0.22 -0.06 -0.36 0.98 0.00 0.00 173.24 174.18 1o8r s PHE 10 N 0.02 2.93 0.97 5.02 0.08 0.54 -4.91 117.98 122.62 1o8r s PHE 10 Ca -0.05 -0.90 -0.12 0.00 0.12 0.00 0.00 56.93 55.98 1o8r s PHE 10 Cb -0.15 -2.05 0.17 0.00 -0.57 0.00 0.00 43.02 40.42 1o8r s PHE 10 CO 0.05 -0.48 1.09 -1.54 -0.10 0.00 0.00 175.22 174.23 1o8r s SER 11 N 1.25 2.88 0.00 1.36 1.04 -1.26 -1.38 113.70 117.59 1o8r s SER 11 Ca 0.03 1.28 0.20 0.00 0.48 0.00 0.00 55.95 57.94 1o8r s SER 11 Cb -0.14 -1.95 0.22 0.00 0.10 0.00 0.00 66.02 64.25 1o8r s SER 11 CO -0.02 -2.98 1.19 0.18 0.98 0.00 0.00 173.24 172.59 1o8r n LEU 12 N -4.09 2.84 0.00 2.42 4.77 -1.26 -4.52 117.00 117.16 1o8r n LEU 12 Ca 0.06 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1o8r n LEU 12 Cb 0.57 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1o8r n LEU 12 CO 0.57 0.53 0.11 -0.62 -1.33 0.00 0.00 177.39 176.65 1o8r n GLU 13 N 1.17 0.00 -0.31 3.23 1.02 -1.26 -2.00 120.64 122.49 1o8r n GLU 13 Ca 0.13 0.22 0.03 0.00 -0.02 0.00 0.00 57.16 57.53 1o8r n GLU 13 Cb 0.52 -0.87 0.11 0.00 -0.02 0.00 0.00 31.44 31.18 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1o8r h SER 14 N 0.00 -0.83 -0.63 1.62 0.02 -1.95 0.50 113.55 112.27 1o8r h SER 14 Ca 0.00 0.26 0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1o8r h SER 14 Cb 0.00 0.55 -0.05 0.00 0.14 0.00 0.00 62.40 63.04 1o8r h SER 14 CO 0.00 -0.29 0.36 -0.37 -1.14 0.00 0.00 176.83 175.39 1o8r h VAL 15 N -0.00 0.99 0.34 2.27 -1.51 -1.80 1.29 116.25 117.84 1o8r h VAL 15 Ca 0.41 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1o8r h VAL 15 Cb 0.64 0.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.04 1o8r h VAL 15 CO -0.90 0.12 -0.32 0.50 -1.23 0.00 0.00 177.57 175.74 1o8r h LYS 16 N 0.67 -0.66 -0.38 5.19 3.64 0.57 0.53 116.57 126.13 1o8r h LYS 16 Ca 0.27 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1o8r h LYS 16 Cb 0.14 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1o8r h LYS 16 CO -0.16 -0.44 0.00 1.63 -2.27 0.00 0.00 179.45 178.21 1o8r n LYS 17 N -5.44 1.06 -0.25 1.90 5.02 -0.42 -3.90 118.16 116.13 1o8r n LYS 17 Ca -0.10 -0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 56.06 1o8r n LYS 17 Cb 0.34 -1.20 0.04 0.00 -0.02 0.00 0.00 35.03 34.19 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1o8r h LEU 18 N 0.11 0.96 -0.76 -0.35 6.46 0.40 -2.58 115.31 119.55 1o8r h LEU 18 Ca 0.00 -0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.65 1o8r h LEU 18 Cb 0.22 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 39.84 1o8r h LEU 18 CO 0.00 0.88 0.44 0.50 -0.62 0.00 0.00 178.44 179.64 1o8r h LYS 19 N 0.98 0.78 -5.30 1.25 3.64 -1.72 -3.37 116.57 112.83 1o8r h LYS 19 Ca 0.23 -0.05 -0.64 0.00 -1.27 0.00 0.00 60.65 58.92 1o8r h LYS 19 Cb 0.23 -0.18 -0.14 0.00 -0.41 0.00 0.00 32.23 31.73 1o8r h LYS 19 CO -0.02 0.51 -0.02 0.34 -2.27 0.00 0.00 179.45 178.00 1o8r s ASP 20 N -5.66 6.36 -0.16 4.20 2.15 -0.97 -5.03 116.67 117.56 1o8r s ASP 20 Ca -0.13 0.14 -0.29 0.00 0.43 0.00 0.00 52.55 52.70 1o8r s ASP 20 Cb 0.17 -2.28 -0.01 0.00 -0.30 0.00 0.00 42.92 40.51 1o8r s ASP 20 CO 0.77 -0.44 1.17 -0.22 -0.17 0.00 0.00 175.17 176.28 1o8r s LEU 21 N 2.41 4.18 0.28 -1.34 1.98 -1.26 -4.88 118.68 120.04 1o8r s LEU 21 Ca 0.20 1.60 -0.15 0.00 -2.89 0.00 0.00 54.13 52.90 1o8r s LEU 21 Cb -0.15 -3.54 0.01 0.00 0.66 0.00 0.00 46.19 43.16 1o8r s LEU 21 CO 0.12 -0.68 0.57 0.00 -1.89 0.00 0.00 176.35 174.47 1o8r s GLN 22 N 3.10 1.70 -0.42 1.98 -2.07 -1.26 -5.09 119.66 117.60 1o8r s GLN 22 Ca 0.51 -1.23 0.10 0.00 -1.82 0.00 0.00 55.36 52.92 1o8r s GLN 22 Cb -0.20 0.52 0.40 0.00 -1.09 0.00 0.00 33.01 32.64 1o8r s GLN 22 CO 0.13 -0.74 0.93 -1.91 -1.32 0.00 0.00 175.29 172.39 1o8r n GLU 23 N -0.43 2.11 -1.78 9.60 0.00 -1.26 -4.88 120.64 124.00 1o8r n GLU 23 Ca -0.03 -3.95 -0.39 0.00 0.00 0.00 0.00 57.16 52.80 1o8r n GLU 23 Cb 0.61 -1.83 0.03 0.00 0.00 0.00 0.00 31.44 30.26 1o8r n GLU 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1o8r s PRO 24 N -3.12 3.34 0.50 5.31 0.04 -1.26 -4.88 135.00 134.93 1o8r s PRO 24 Ca 0.40 2.32 0.19 0.00 0.04 0.00 0.00 61.00 63.95 1o8r s PRO 24 Cb 0.38 -2.41 1.26 0.00 0.04 0.00 0.00 34.50 33.77 1o8r s PRO 24 CO -0.09 -1.06 2.09 1.96 0.04 0.00 0.00 177.00 179.94 1o8r h GLN 25 N 1.78 0.00 -6.83 4.56 4.20 -2.02 -3.46 115.11 113.34 1o8r h GLN 25 Ca -0.51 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.63 1o8r h GLN 25 Cb 1.29 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.96 1o8r h GLN 25 CO 0.59 0.09 -0.95 -1.91 -0.67 0.00 0.00 178.83 175.98 1o8r n GLU 26 N -4.23 -1.46 0.24 1.46 0.00 -1.26 -4.79 120.64 110.60 1o8r n GLU 26 Ca -0.03 0.20 0.07 0.00 0.00 0.00 0.00 57.16 57.40 1o8r n GLU 26 Cb 0.17 -3.67 0.57 0.00 0.00 0.00 0.00 31.44 28.51 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1o8r h PRO 27 N -1.98 0.01 -4.68 5.31 0.13 -2.03 -3.43 132.00 125.33 1o8r h PRO 27 Ca -0.66 -0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.15 1o8r h PRO 27 Cb 1.39 -0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.29 1o8r h PRO 27 CO 0.63 0.09 -0.75 0.50 -0.23 0.00 0.00 178.00 178.24 1o8r s ARG 28 N -4.87 0.58 0.22 0.86 3.52 -1.26 -5.11 118.95 112.89 1o8r s ARG 28 Ca -0.05 -0.66 -0.32 0.00 -0.13 0.00 0.00 55.73 54.57 1o8r s ARG 28 Cb 0.16 -0.45 -0.13 0.00 -1.56 0.00 0.00 34.95 32.98 1o8r s ARG 28 CO 0.68 0.10 1.58 1.33 -0.81 0.00 0.00 175.30 178.18 1o8r n VAL 29 N 1.79 0.48 -1.74 7.11 0.24 -1.26 -4.85 118.33 120.10 1o8r n VAL 29 Ca -0.20 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 1o8r n VAL 29 Cb 0.55 -1.75 -0.03 0.00 -1.47 0.00 0.00 33.84 31.15 1o8r n VAL 29 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1o8r s GLY 30 N 0.73 1.25 0.44 7.63 0.00 -1.26 -4.84 107.32 111.27 1o8r s GLY 30 Ca 0.72 1.08 0.10 0.00 0.00 0.00 0.00 44.72 46.62 1o8r s GLY 30 CO 0.42 3.44 2.07 0.50 0.00 0.00 0.00 173.10 179.53 1o8r h LYS 31 N 11.40 0.35 -5.37 2.90 1.57 -2.07 -3.40 116.57 121.94 1o8r h LYS 31 Ca -0.45 -0.03 -0.62 0.00 -1.87 0.00 0.00 60.65 57.68 1o8r h LYS 31 Cb 1.22 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 33.35 1o8r h LYS 31 CO 0.95 0.25 -0.49 -1.17 -0.57 0.00 0.00 179.45 178.42 1o8r s LEU 32 N -9.30 4.24 -0.08 2.94 2.96 -1.26 -5.08 118.68 113.10 1o8r s LEU 32 Ca -0.07 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1o8r s LEU 32 Cb 0.17 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1o8r s LEU 32 CO 0.71 0.24 0.04 0.00 -1.32 0.00 0.00 176.35 176.02 1o8r s ARG 33 N -0.01 0.26 0.00 1.98 1.70 -1.26 -5.06 118.95 116.55 1o8r s ARG 33 Ca 0.10 0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.52 1o8r s ARG 33 Cb -0.11 -0.95 0.00 0.00 -0.57 0.00 0.00 34.95 33.32 1o8r s ARG 33 CO -0.00 -0.38 0.00 0.27 -1.08 0.00 0.00 175.30 174.11 1o8r n ASN 34 N 5.22 0.00 -2.50 -2.89 6.94 -1.23 -4.65 115.26 116.15 1o8r n ASN 34 Ca -0.05 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.50 1o8r n ASN 34 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 1o8r n ASN 34 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1o8r n PHE 35 N 0.00 -3.29 -1.46 -2.53 7.35 -1.25 -4.25 117.46 112.03 1o8r n PHE 35 Ca 0.00 1.46 -0.48 0.00 -0.76 0.00 0.00 57.45 57.67 1o8r n PHE 35 Cb 0.00 -3.58 -0.08 0.00 0.35 0.00 0.00 39.48 36.18 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1o8r n ALA 36 N 0.56 0.90 0.39 3.13 0.00 -1.26 -4.48 120.51 119.74 1o8r n ALA 36 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.28 1o8r n ALA 36 Cb 0.01 -2.58 0.20 0.00 0.00 0.00 0.00 19.45 17.07 1o8r n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1o8r n PRO 37 N 8.32 0.15 -2.92 0.00 -0.05 -1.26 -4.87 135.00 134.37 1o8r n PRO 37 Ca 0.45 0.15 -0.01 0.00 -0.05 0.00 0.00 63.50 64.04 1o8r n PRO 37 Cb 0.23 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.18 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 -1.20 -9.50 -1.33 0.52 5.41 -1.26 -4.94 119.36 107.05 1o8r n ILE 38 Ca 0.04 -0.14 -0.34 0.00 1.00 0.00 0.00 62.75 63.31 1o8r n ILE 38 Cb 0.05 -6.69 0.10 0.00 -0.71 0.00 0.00 39.64 32.40 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1o8r s PRO 39 N -2.96 1.97 0.00 0.38 0.04 -1.26 -4.61 135.00 128.56 1o8r s PRO 39 Ca 0.02 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1o8r s PRO 39 Cb -0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1o8r s PRO 39 CO 0.69 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1o8r n GLY 40 N 0.49 1.50 2.43 0.56 0.00 -1.26 -5.04 105.19 103.86 1o8r n GLY 40 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1o8r n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8r n GLU 41 N 0.00 1.95 -1.61 1.61 1.02 -1.26 -5.03 120.64 117.32 1o8r n GLU 41 Ca 0.00 -4.28 -0.15 0.00 -0.02 0.00 0.00 57.16 52.71 1o8r n GLU 41 Cb 0.00 -2.01 -0.07 0.00 -0.02 0.00 0.00 31.44 29.34 1o8r n GLU 41 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1o8r s PRO 42 N -1.97 1.69 -0.04 3.49 0.01 -1.26 -4.89 135.00 132.03 1o8r s PRO 42 Ca 0.37 0.43 0.01 0.00 0.01 0.00 0.00 61.00 61.82 1o8r s PRO 42 Cb 0.12 -4.81 0.02 0.00 0.01 0.00 0.00 34.50 29.85 1o8r s PRO 42 CO -0.06 -4.34 -0.02 0.54 0.01 0.00 0.00 177.00 173.12 1o8r s VAL 43 N 14.35 0.39 -0.49 3.83 0.11 -1.26 -5.00 120.40 132.33 1o8r s VAL 43 Ca 0.91 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.99 1o8r s VAL 43 Cb -0.12 -0.45 0.23 0.00 -1.53 0.00 0.00 36.38 34.51 1o8r s VAL 43 CO 0.07 0.19 0.81 0.52 -3.33 0.00 0.00 175.10 173.37 1o8r n VAL 44 N 4.13 -0.08 -1.91 2.04 0.31 -1.26 -4.74 118.33 116.82 1o8r n VAL 44 Ca -0.25 -1.60 -0.37 0.00 -0.01 0.00 0.00 64.34 62.11 1o8r n VAL 44 Cb 0.51 1.07 0.04 0.00 -0.91 0.00 0.00 33.84 34.54 1o8r n VAL 44 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1o8r s PRO 45 N 0.60 3.07 0.59 5.55 0.05 -1.26 -4.79 135.00 138.80 1o8r s PRO 45 Ca 0.32 2.02 0.30 0.00 0.05 0.00 0.00 61.00 63.68 1o8r s PRO 45 Cb 0.17 -2.11 1.40 0.00 0.05 0.00 0.00 34.50 34.01 1o8r s PRO 45 CO -0.19 -1.18 1.78 0.97 0.05 0.00 0.00 177.00 178.43 1o8r h ILE 46 N 1.18 0.31 -0.58 0.56 2.10 -2.01 1.71 117.51 120.78 1o8r h ILE 46 Ca -0.51 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1o8r h ILE 46 Cb 1.30 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 1o8r h ILE 46 CO 0.56 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.81 1o8r n LEU 47 N -3.70 3.19 -0.93 2.19 4.77 -1.26 -5.03 117.00 116.22 1o8r n LEU 47 Ca 0.14 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 1o8r n LEU 47 Cb 0.91 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1o8r n LEU 47 CO 0.29 0.79 -0.23 0.00 -1.33 0.00 0.00 177.39 176.91 1o8r n SER 49 N 0.12 0.00 -4.61 0.00 3.41 -1.26 -4.36 113.62 106.91 1o8r n SER 49 Ca 0.00 0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 58.70 1o8r n SER 49 Cb 0.00 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1o8r n SER 49 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1o8r s ASN 50 N -2.23 6.75 0.00 4.04 0.02 -1.26 -4.86 114.94 117.40 1o8r s ASN 50 Ca 0.00 0.69 0.05 0.00 -1.02 0.00 0.00 52.86 52.58 1o8r s ASN 50 Cb 0.00 -2.55 0.26 0.00 0.02 0.00 0.00 41.25 38.99 1o8r s ASN 50 CO 0.00 -1.11 0.99 -0.81 0.02 0.00 0.00 177.10 176.19 1o8r n PRO 51 N 7.46 0.08 -1.13 -0.60 -0.05 -1.26 -2.00 135.00 137.50 1o8r n PRO 51 Ca 0.12 0.22 0.05 0.00 -0.05 0.00 0.00 63.50 63.84 1o8r n PRO 51 Cb 0.48 -1.50 0.09 0.00 -0.05 0.00 0.00 33.50 32.52 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1o8r n ASN 52 N -1.27 1.26 -3.00 3.54 3.02 -1.26 -5.03 115.26 112.52 1o8r n ASN 52 Ca 0.03 -2.71 -0.15 0.00 -0.03 0.00 0.00 54.58 51.71 1o8r n ASN 52 Cb 0.04 -0.38 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 -0.13 -3.93 -1.08 3.10 -1.74 -0.85 -4.71 117.46 108.13 1o8r n PHE 53 Ca 0.11 -0.60 -0.22 0.00 -0.56 0.00 0.00 57.45 56.18 1o8r n PHE 53 Cb 0.96 -0.54 -0.09 0.00 1.52 0.00 0.00 39.48 41.33 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 -2.57 0.04 -0.42 3.97 -0.01 -1.26 -4.66 135.00 130.09 1o8r n PRO 54 Ca 0.09 -1.09 0.34 0.00 -0.01 0.00 0.00 63.50 62.83 1o8r n PRO 54 Cb 0.30 -2.80 0.64 0.00 -0.01 0.00 0.00 33.50 31.62 1o8r n PRO 54 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 1o8r h GLU 55 N 10.32 0.15 0.00 -0.52 4.11 -1.95 1.83 114.58 128.52 1o8r h GLU 55 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1o8r h GLU 55 Cb 0.85 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1o8r h GLU 55 CO 1.32 0.10 0.30 0.93 0.07 0.00 0.00 179.01 181.72 1o8r h GLU 56 N 0.15 0.00 -0.64 1.06 5.08 -2.00 1.69 114.58 119.92 1o8r h GLU 56 Ca 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.10 1o8r h GLU 56 Cb 2.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.60 1o8r h GLU 56 CO -0.31 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.98 1o8r n LEU 57 N -2.80 4.06 -0.36 1.33 4.32 0.62 -4.56 117.00 119.60 1o8r n LEU 57 Ca -0.02 -2.04 0.03 0.00 -0.02 0.00 0.00 56.01 53.96 1o8r n LEU 57 Cb 0.34 -0.52 0.10 0.00 -1.62 0.00 0.00 43.42 41.72 1o8r n LEU 57 CO 0.13 0.72 0.63 1.17 -1.22 0.00 0.00 177.39 178.82 1o8r n LYS 58 N 1.00 -0.14 -0.24 3.23 4.81 0.58 0.94 118.16 128.33 1o8r n LYS 58 Ca 0.22 1.53 0.02 0.00 -0.87 0.00 0.00 58.31 59.22 1o8r n LYS 58 Cb 0.75 -2.29 0.15 0.00 0.02 0.00 0.00 35.03 33.66 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1o8r h PRO 59 N 0.00 0.52 -0.92 1.64 0.10 -1.81 0.34 132.00 131.86 1o8r h PRO 59 Ca 0.43 -0.03 0.06 0.00 0.10 0.00 0.00 66.00 66.56 1o8r h PRO 59 Cb 0.67 -0.12 -0.06 0.00 0.10 0.00 0.00 31.00 31.60 1o8r h PRO 59 CO -1.00 0.34 0.60 -0.07 0.10 0.00 0.00 178.00 177.97 1o8r h LEU 60 N 0.53 0.94 -1.32 2.35 -0.00 0.23 0.80 115.31 118.83 1o8r h LEU 60 Ca 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.18 1o8r h LEU 60 Cb 0.44 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1o8r h LEU 60 CO -0.31 0.61 -0.34 0.00 -0.00 0.00 0.00 178.44 178.40 1o8r n LYS 62 N -4.05 2.32 -3.87 0.00 5.02 -0.11 -4.85 118.16 112.62 1o8r n LYS 62 Ca -0.02 -2.01 -0.34 0.00 -2.02 0.00 0.00 58.31 53.91 1o8r n LYS 62 Cb 0.39 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.43 3.46 0.52 1.97 2.02 0.08 -4.98 118.70 120.35 1o8r s GLU 63 Ca 0.38 -0.23 0.23 0.00 0.02 0.00 0.00 54.97 55.37 1o8r s GLU 63 Cb 0.21 -3.12 1.39 0.00 0.10 0.00 0.00 34.13 32.71 1o8r s GLU 63 CO 0.29 0.70 2.10 -1.35 0.02 0.00 0.00 175.26 177.01 1o8r h PRO 64 N 4.13 0.00 -0.01 0.39 0.11 -1.90 -1.02 132.00 133.71 1o8r h PRO 64 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1o8r h PRO 64 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1o8r h PRO 64 CO 0.66 0.10 -0.11 0.09 -0.21 0.00 0.00 178.00 178.53 1o8r n ASN 65 N -3.96 0.82 -0.33 -2.05 3.02 -1.26 -4.16 115.26 107.34 1o8r n ASN 65 Ca -0.02 -0.92 0.26 0.00 -0.03 0.00 0.00 54.58 53.87 1o8r n ASN 65 Cb 0.19 0.01 0.51 0.00 -0.61 0.00 0.00 39.78 39.88 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o8r h ALA 66 N 3.85 1.98 -0.87 5.41 0.00 -1.28 0.95 119.26 129.30 1o8r h ALA 66 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1o8r h ALA 66 Cb 0.40 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1o8r h ALA 66 CO 0.00 -0.74 0.46 1.96 0.00 0.00 0.00 179.25 180.94 1o8r h GLN 67 N 0.16 1.23 0.05 0.00 4.20 -1.81 0.45 115.11 119.39 1o8r h GLN 67 Ca 0.77 -0.15 -0.24 0.00 0.06 0.00 0.00 58.65 59.09 1o8r h GLN 67 Cb 1.87 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 29.40 1o8r h GLN 67 CO -0.70 0.91 -1.11 0.93 -0.67 0.00 0.00 178.83 178.19 1o8r h GLU 68 N 1.23 0.10 -0.04 1.46 4.39 0.46 -3.27 114.58 118.90 1o8r h GLU 68 Ca 0.31 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 1o8r h GLU 68 Cb 0.05 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1o8r h GLU 68 CO -0.05 1.07 -0.46 0.82 -1.16 0.00 0.00 179.01 179.24 1o8r h ILE 69 N 0.03 1.43 -0.02 3.13 2.04 -0.18 -3.18 117.51 120.75 1o8r h ILE 69 Ca -0.06 -1.90 0.03 0.00 1.00 0.00 0.00 64.86 63.92 1o8r h ILE 69 Cb 1.85 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 40.32 1o8r h ILE 69 CO 0.16 0.55 -0.51 0.25 0.00 0.00 0.00 178.15 178.60 1o8r h LEU 70 N -0.11 -1.58 -0.50 1.44 7.12 -0.22 0.22 115.31 121.68 1o8r h LEU 70 Ca -0.04 0.18 0.10 0.00 0.13 0.00 0.00 57.88 58.25 1o8r h LEU 70 Cb 1.14 0.61 -0.10 0.00 -0.53 0.00 0.00 40.66 41.77 1o8r h LEU 70 CO 0.09 -0.50 -0.26 -0.61 -0.13 0.00 0.00 178.44 177.03 1o8r h GLN 71 N -0.64 -0.14 0.29 1.25 4.15 -1.67 -0.17 115.11 118.19 1o8r h GLN 71 Ca 0.03 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1o8r h GLN 71 Cb 0.70 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 1o8r h GLN 71 CO -0.36 -0.09 -0.36 0.00 -1.93 0.00 0.00 178.83 176.08 1o8r h ARG 72 N -0.14 -0.68 -0.46 1.69 3.08 -1.36 -1.35 114.38 115.16 1o8r h ARG 72 Ca 0.22 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.42 1o8r h ARG 72 Cb 0.50 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.61 1o8r h ARG 72 CO -0.58 -0.45 -0.19 -0.07 -1.07 0.00 0.00 179.97 177.61 1o8r h LEU 73 N -0.70 -0.65 -0.33 3.04 3.38 -0.18 -1.07 115.31 118.80 1o8r h LEU 73 Ca -0.01 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1o8r h LEU 73 Cb 0.66 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1o8r h LEU 73 CO -0.11 -0.22 -0.07 -0.33 0.09 0.00 0.00 178.44 177.80 1o8r h GLU 74 N -0.09 0.02 -0.09 1.13 4.39 -0.67 0.21 114.58 119.48 1o8r h GLU 74 Ca 0.22 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.96 1o8r h GLU 74 Cb 0.43 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 1o8r h GLU 74 CO -0.52 0.01 -0.16 0.93 -1.16 0.00 0.00 179.01 178.11 1o8r h GLU 75 N 0.02 -0.21 -0.46 2.33 5.08 -0.09 -1.42 114.58 119.83 1o8r h GLU 75 Ca 0.16 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1o8r h GLU 75 Cb 0.24 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1o8r h GLU 75 CO -0.32 -0.14 0.14 0.82 -1.00 0.00 0.00 179.01 178.50 1o8r h ILE 76 N -0.22 1.19 -0.78 3.13 1.08 -0.83 -2.04 117.51 119.04 1o8r h ILE 76 Ca 0.08 -0.66 0.07 0.00 -0.39 0.00 0.00 64.86 63.97 1o8r h ILE 76 Cb 0.34 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 1o8r h ILE 76 CO -0.22 0.25 0.51 0.00 -0.69 0.00 0.00 178.15 177.99 1o8r h ALA 77 N 1.49 1.68 -0.75 1.87 0.00 0.45 -0.88 119.26 123.11 1o8r h ALA 77 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1o8r h ALA 77 Cb 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1o8r h ALA 77 CO -0.01 0.19 0.37 1.49 0.00 0.00 0.00 179.25 181.29 1o8r h GLU 78 N 0.80 1.07 0.00 0.00 4.81 -0.67 -3.26 114.58 117.33 1o8r h GLU 78 Ca 0.34 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1o8r h GLU 78 Cb 0.29 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1o8r h GLU 78 CO -0.12 0.82 0.00 -0.25 -0.73 0.00 0.00 179.01 178.73 1o8r n ASP 79 N -4.33 0.00 -4.29 1.04 8.00 -0.42 -3.97 116.55 112.58 1o8r n ASP 79 Ca 0.07 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.35 1o8r n ASP 79 Cb 0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.11 1o8r n ASP 79 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1o8r n PRO 80 N 0.00 0.07 0.00 -0.24 -0.01 -0.71 -4.79 135.00 129.31 1o8r n PRO 80 Ca 0.00 -1.50 0.00 0.00 -0.01 0.00 0.00 63.50 61.99 1o8r n PRO 80 Cb 0.00 -3.54 0.00 0.00 -0.01 0.00 0.00 33.50 29.95 1o8r n PRO 80 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1o8r n GLY 81 N 5.82 -3.33 0.20 -1.23 0.00 -1.26 0.51 105.19 105.90 1o8r n GLY 81 Ca 0.42 0.60 -0.10 0.00 0.00 0.00 0.00 46.02 46.94 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 0.40 -0.95 2.61 1.35 -1.96 -3.02 112.91 111.34 1o8r h THR 82 Ca 0.00 -0.78 0.18 0.00 -0.55 0.00 0.00 66.41 65.26 1o8r h THR 82 Cb 0.00 0.64 -0.18 0.00 -1.73 0.00 0.00 68.15 66.89 1o8r h THR 82 CO 0.00 0.09 -0.26 0.00 -0.25 0.00 0.00 175.52 175.10 1o8r h GLU 84 N 0.00 0.87 -0.71 0.00 4.81 0.01 -0.89 114.58 118.67 1o8r h GLU 84 Ca 0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1o8r h GLU 84 Cb 0.67 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1o8r h GLU 84 CO -0.97 0.58 0.00 0.44 -0.73 0.00 0.00 179.01 178.32 1o8r n ILE 85 N -4.65 1.17 -1.22 2.32 -5.35 0.27 -4.85 119.36 107.06 1o8r n ILE 85 Ca 0.08 -0.64 -0.09 0.00 -0.27 0.00 0.00 62.75 61.83 1o8r n ILE 85 Cb 0.09 -0.27 -0.04 0.00 -1.74 0.00 0.00 39.64 37.68 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r h ALA 87 N 0.11 1.00 -2.32 0.00 0.00 -1.43 -3.44 119.26 113.19 1o8r h ALA 87 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 1o8r h ALA 87 Cb 1.06 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1o8r h ALA 87 CO 0.28 0.00 -0.65 0.71 0.00 0.00 0.00 179.25 179.59 1o8r s TYR 88 N -3.82 1.20 -2.00 0.00 1.51 -1.26 -4.93 117.35 108.05 1o8r s TYR 88 Ca -0.01 -1.08 0.10 0.00 -1.01 0.00 0.00 57.07 55.07 1o8r s TYR 88 Cb 0.10 -0.68 0.61 0.00 -0.11 0.00 0.00 41.96 41.87 1o8r s TYR 88 CO 0.46 -0.28 1.18 0.00 -1.11 0.00 0.00 175.55 175.79 1o8r n ALA 89 N -0.25 2.30 0.12 3.71 0.00 -1.26 -3.36 120.51 121.76 1o8r n ALA 89 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 1o8r n ALA 89 Cb 0.64 -1.16 0.23 0.00 0.00 0.00 0.00 19.45 19.15 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 2.90 1.11 -3.09 0.00 0.00 -1.92 -3.42 119.26 114.84 1o8r h ALA 90 Ca 0.00 -0.44 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 1o8r h ALA 90 Cb 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 17.47 1o8r h ALA 90 CO 0.00 0.61 -0.66 0.00 0.00 0.00 0.00 179.25 179.20 1o8r s THR 92 N 1.10 3.23 0.00 0.00 -4.23 -0.22 -4.59 115.64 110.94 1o8r s THR 92 Ca 0.02 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1o8r s THR 92 Cb -0.14 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1o8r s THR 92 CO 0.01 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1o8r n GLY 93 N -1.14 0.70 0.00 3.99 0.00 -1.26 -2.21 105.19 105.27 1o8r n GLY 93 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32