#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 1.23 -0.46 3.34 -1.32 -1.02 -4.76 115.64 112.66 1o8r s THR 2 Ca 0.00 -2.07 -0.29 0.00 -1.21 0.00 0.00 61.69 58.12 1o8r s THR 2 Cb 0.00 -2.26 0.03 0.00 -1.51 0.00 0.00 72.50 68.76 1o8r s THR 2 CO 0.00 -0.41 1.13 -0.69 -2.21 0.00 0.00 174.62 172.44 1o8r s VAL 3 N -3.29 4.25 -0.22 5.08 1.01 -0.43 -1.87 120.40 124.92 1o8r s VAL 3 Ca 0.26 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.49 1o8r s VAL 3 Cb 0.04 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1o8r s VAL 3 CO 0.08 -0.94 -0.00 -1.58 0.00 0.00 0.00 175.10 172.66 1o8r s GLN 4 N 4.34 3.51 0.00 2.72 0.74 -0.82 -0.96 119.66 129.19 1o8r s GLN 4 Ca 0.47 -0.56 0.23 0.00 0.05 0.00 0.00 55.36 55.56 1o8r s GLN 4 Cb -0.08 -3.11 0.47 0.00 1.10 0.00 0.00 33.01 31.39 1o8r s GLN 4 CO 0.29 -0.14 1.43 -0.25 -0.55 0.00 0.00 175.29 176.07 1o8r n ASP 5 N 4.70 3.41 0.00 6.67 8.00 -1.25 -4.85 116.55 133.22 1o8r n ASP 5 Ca -0.17 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1o8r n ASP 5 Cb 0.51 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.51 1.47 0.00 0.44 0.00 -1.26 -4.96 105.19 102.38 1o8r n GLY 6 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 -4.50 1.61 5.15 -1.26 -4.76 115.26 111.50 1o8r n ASN 7 Ca 0.00 -1.01 -0.33 0.00 -0.60 0.00 0.00 54.58 52.64 1o8r n ASN 7 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 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 -2.00 2.81 -0.11 1.20 0.40 -1.26 -5.10 117.98 113.92 1o8r s PHE 8 Ca 0.47 -0.17 -0.21 0.00 -0.60 0.00 0.00 56.93 56.42 1o8r s PHE 8 Cb 0.22 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 1o8r s PHE 8 CO 0.36 0.17 0.60 -1.12 0.70 0.00 0.00 175.22 175.93 1o8r s SER 9 N -0.55 6.81 -0.23 1.36 0.01 -1.26 -3.95 113.70 115.89 1o8r s SER 9 Ca 0.08 0.98 -0.04 0.00 1.31 0.00 0.00 55.95 58.28 1o8r s SER 9 Cb -0.12 -2.35 -0.00 0.00 0.21 0.00 0.00 66.02 63.76 1o8r s SER 9 CO 0.02 -0.10 -0.03 -0.36 0.41 0.00 0.00 173.24 173.18 1o8r s PHE 10 N 0.94 2.99 0.95 2.43 0.08 -0.13 -4.98 117.98 120.26 1o8r s PHE 10 Ca 0.31 -0.98 -0.12 0.00 0.12 0.00 0.00 56.93 56.26 1o8r s PHE 10 Cb -0.16 -2.12 0.16 0.00 -0.57 0.00 0.00 43.02 40.33 1o8r s PHE 10 CO 0.14 -0.56 1.10 -1.54 -0.10 0.00 0.00 175.22 174.25 1o8r s SER 11 N 1.47 3.02 0.00 1.36 1.04 -1.26 -1.32 113.70 118.01 1o8r s SER 11 Ca 0.05 1.22 0.24 0.00 0.48 0.00 0.00 55.95 57.94 1o8r s SER 11 Cb -0.15 -1.88 0.35 0.00 0.10 0.00 0.00 66.02 64.45 1o8r s SER 11 CO -0.03 -2.89 1.36 0.18 0.98 0.00 0.00 173.24 172.85 1o8r n LEU 12 N -4.02 3.21 0.00 2.42 4.77 -1.26 -4.50 117.00 117.63 1o8r n LEU 12 Ca 0.06 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1o8r n LEU 12 Cb 0.57 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1o8r n LEU 12 CO 0.57 0.63 0.09 1.21 -1.33 0.00 0.00 177.39 178.56 1o8r n GLU 13 N 1.39 0.00 -0.31 3.23 2.13 -1.26 -1.93 120.64 123.89 1o8r n GLU 13 Ca 0.17 0.45 0.05 0.00 0.66 0.00 0.00 57.16 58.49 1o8r n GLU 13 Cb 0.60 -1.04 0.14 0.00 0.27 0.00 0.00 31.44 31.40 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1o8r h SER 14 N 0.00 -0.75 -0.16 4.31 0.02 -1.94 0.37 113.55 115.40 1o8r h SER 14 Ca 0.00 0.26 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1o8r h SER 14 Cb 0.00 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1o8r h SER 14 CO 0.00 -0.29 0.06 -0.37 -1.14 0.00 0.00 176.83 175.09 1o8r h VAL 15 N 0.01 0.97 0.18 2.27 -1.51 -1.79 1.46 116.25 117.84 1o8r h VAL 15 Ca 0.44 -0.05 0.01 0.00 -1.23 0.00 0.00 66.70 65.88 1o8r h VAL 15 Cb 0.71 0.82 -0.04 0.00 -2.13 0.00 0.00 31.29 30.65 1o8r h VAL 15 CO -0.89 0.03 -0.33 0.50 -1.23 0.00 0.00 177.57 175.64 1o8r h LYS 16 N 0.14 -0.57 -0.24 5.19 3.64 0.32 0.21 116.57 125.26 1o8r h LYS 16 Ca 0.07 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1o8r h LYS 16 Cb 0.03 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1o8r h LYS 16 CO -0.06 -0.38 0.00 1.63 -2.27 0.00 0.00 179.45 178.37 1o8r n LYS 17 N -5.43 1.04 -0.22 1.90 5.02 0.16 -3.95 118.16 116.68 1o8r n LYS 17 Ca -0.07 -0.05 0.05 0.00 -2.02 0.00 0.00 58.31 56.22 1o8r n LYS 17 Cb 0.34 -1.13 0.30 0.00 -0.02 0.00 0.00 35.03 34.52 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 0.07 0.77 -0.76 -0.35 5.85 0.54 -1.89 115.31 119.54 1o8r h LEU 18 Ca 0.00 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1o8r h LEU 18 Cb 0.14 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 1o8r h LEU 18 CO 0.00 0.51 0.41 0.50 -0.34 0.00 0.00 178.44 179.52 1o8r h LYS 19 N 0.88 0.69 -4.50 1.25 3.64 -1.74 -3.36 116.57 113.44 1o8r h LYS 19 Ca 0.33 -0.04 -0.72 0.00 -1.27 0.00 0.00 60.65 58.95 1o8r h LYS 19 Cb 0.17 -0.16 -0.21 0.00 -0.41 0.00 0.00 32.23 31.63 1o8r h LYS 19 CO -0.11 0.46 -0.43 -0.51 -2.27 0.00 0.00 179.45 176.59 1o8r s ASP 20 N -5.57 6.11 0.29 4.20 1.01 -0.71 -4.94 116.67 117.06 1o8r s ASP 20 Ca -0.13 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.23 1o8r s ASP 20 Cb 0.18 -2.16 0.43 0.00 1.01 0.00 0.00 42.92 42.38 1o8r s ASP 20 CO 0.77 -0.45 1.81 -0.07 0.21 0.00 0.00 175.17 177.44 1o8r h LEU 21 N 8.64 0.69 -9.88 1.23 3.38 -1.76 -3.43 115.31 114.18 1o8r h LEU 21 Ca -0.27 -0.14 -0.53 0.00 0.09 0.00 0.00 57.88 57.02 1o8r h LEU 21 Cb 1.12 -0.18 0.10 0.00 0.09 0.00 0.00 40.66 41.79 1o8r h LEU 21 CO 0.73 0.73 0.83 -1.58 0.09 0.00 0.00 178.44 179.25 1o8r s GLN 22 N -5.05 4.11 0.00 1.13 2.00 -1.26 -4.84 119.66 115.75 1o8r s GLN 22 Ca -0.09 2.58 0.00 0.00 -2.00 0.00 0.00 55.36 55.85 1o8r s GLN 22 Cb 0.15 -2.99 0.00 0.00 0.80 0.00 0.00 33.01 30.97 1o8r s GLN 22 CO 0.79 -0.58 0.00 0.39 -0.50 0.00 0.00 175.29 175.39 1o8r n GLU 23 N 1.24 0.00 -1.12 1.67 1.02 -1.26 -5.10 120.64 117.09 1o8r n GLU 23 Ca 0.04 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 1o8r n GLU 23 Cb 0.38 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.93 1o8r n GLU 23 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 24 N -2.00 1.69 0.44 3.49 0.05 -1.26 -4.87 135.00 132.54 1o8r s PRO 24 Ca 0.00 1.64 0.20 0.00 0.05 0.00 0.00 61.00 62.89 1o8r s PRO 24 Cb 0.00 -1.79 1.16 0.00 0.05 0.00 0.00 34.50 33.92 1o8r s PRO 24 CO 0.00 -2.15 1.86 1.96 0.05 0.00 0.00 177.00 178.72 1o8r h GLN 25 N -1.00 0.32 -6.40 4.56 4.20 -2.01 -3.45 115.11 111.32 1o8r h GLN 25 Ca -0.45 -0.02 -0.47 0.00 0.06 0.00 0.00 58.65 57.77 1o8r h GLN 25 Cb 1.28 -0.07 0.06 0.00 0.30 0.00 0.00 27.48 29.05 1o8r h GLN 25 CO 0.46 0.21 -0.94 -1.91 -0.67 0.00 0.00 178.83 175.98 1o8r n GLU 26 N -4.47 -0.98 0.25 1.46 4.07 -1.26 -4.81 120.64 114.90 1o8r n GLU 26 Ca 0.19 0.40 0.09 0.00 -0.06 0.00 0.00 57.16 57.78 1o8r n GLU 26 Cb 0.75 -3.69 0.66 0.00 -0.06 0.00 0.00 31.44 29.10 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1o8r h PRO 27 N -1.97 0.00 -4.03 5.31 0.14 -2.03 -3.43 132.00 125.98 1o8r h PRO 27 Ca -0.66 0.00 -0.11 0.00 0.14 0.00 0.00 66.00 65.36 1o8r h PRO 27 Cb 1.37 0.00 -0.15 0.00 0.14 0.00 0.00 31.00 32.35 1o8r h PRO 27 CO 0.48 0.09 -0.57 1.03 0.14 0.00 0.00 178.00 179.17 1o8r s ARG 28 N -4.69 0.66 -0.13 0.86 0.52 -1.26 -5.15 118.95 109.76 1o8r s ARG 28 Ca -0.04 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.12 1o8r s ARG 28 Cb 0.16 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.85 1o8r s ARG 28 CO 0.64 -0.16 -0.10 0.08 0.02 0.00 0.00 175.30 175.78 1o8r s VAL 29 N -3.57 3.30 0.00 3.52 1.01 -1.26 -5.03 120.40 118.37 1o8r s VAL 29 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1o8r s VAL 29 Cb 0.05 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1o8r s VAL 29 CO -0.09 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1o8r n GLY 30 N 3.37 -0.21 3.89 4.51 0.00 -1.26 -5.03 105.19 110.46 1o8r n GLY 30 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1o8r n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o8r s LYS 31 N -0.74 3.72 -0.14 1.61 1.02 -1.26 -5.07 119.74 118.88 1o8r s LYS 31 Ca 0.00 0.18 -0.08 0.00 0.02 0.00 0.00 55.97 56.10 1o8r s LYS 31 Cb 0.00 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1o8r s LYS 31 CO 0.00 0.21 0.14 -0.51 -0.92 0.00 0.00 175.35 174.27 1o8r s LEU 32 N -3.32 4.33 -0.05 3.17 1.02 -1.26 -4.95 118.68 117.61 1o8r s LEU 32 Ca 0.46 0.40 0.03 0.00 0.02 0.00 0.00 54.13 55.04 1o8r s LEU 32 Cb -0.11 -2.07 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 1o8r s LEU 32 CO 0.27 0.34 -0.11 -0.13 0.02 0.00 0.00 176.35 176.74 1o8r s ARG 33 N -0.62 2.58 -0.26 1.70 0.52 -1.26 -5.06 118.95 116.55 1o8r s ARG 33 Ca 0.13 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1o8r s ARG 33 Cb -0.12 -2.45 0.07 0.00 0.52 0.00 0.00 34.95 32.97 1o8r s ARG 33 CO 0.02 0.64 -0.03 -0.80 0.02 0.00 0.00 175.30 175.15 1o8r s ASN 34 N -0.80 4.09 0.00 0.23 0.01 -1.25 -4.45 114.94 112.77 1o8r s ASN 34 Ca 0.12 -1.41 0.00 0.00 -0.71 0.00 0.00 52.86 50.86 1o8r s ASN 34 Cb -0.11 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.29 1o8r s ASN 34 CO 0.01 -0.27 0.00 0.33 -1.51 0.00 0.00 177.10 175.66 1o8r n PHE 35 N 4.59 0.00 -2.02 2.20 7.35 0.73 -4.53 117.46 125.78 1o8r n PHE 35 Ca -0.09 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.22 1o8r n PHE 35 Cb 0.43 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.27 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1o8r s ALA 36 N 0.00 3.02 0.44 3.13 0.00 -1.23 -4.79 121.76 122.34 1o8r s ALA 36 Ca 0.00 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.27 1o8r s ALA 36 Cb 0.00 -3.48 0.99 0.00 0.00 0.00 0.00 23.12 20.63 1o8r s ALA 36 CO 0.00 -0.97 2.01 -1.00 0.00 0.00 0.00 175.76 175.80 1o8r h PRO 37 N 2.05 0.11 0.00 0.00 0.14 -1.89 -3.44 132.00 128.97 1o8r h PRO 37 Ca -0.50 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.62 1o8r h PRO 37 Cb 1.27 -0.02 0.00 0.00 0.14 0.00 0.00 31.00 32.39 1o8r h PRO 37 CO 0.60 0.21 0.00 -0.89 0.14 0.00 0.00 178.00 178.06 1o8r n ILE 38 N -4.37 0.00 -1.39 -3.56 -0.00 -1.26 -5.15 119.36 103.63 1o8r n ILE 38 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.39 1o8r n ILE 38 Cb 0.20 0.00 0.10 0.00 -0.00 0.00 0.00 39.64 39.94 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 -0.59 2.08 0.00 0.38 0.02 -1.26 -3.73 135.00 131.90 1o8r s PRO 39 Ca 0.00 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1o8r s PRO 39 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1o8r s PRO 39 CO 0.00 -1.88 0.00 0.41 -0.33 0.00 0.00 177.00 175.20 1o8r n GLY 40 N 0.36 0.54 3.77 0.52 0.00 -1.26 -5.01 105.19 104.10 1o8r n GLY 40 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1o8r n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1o8r s GLU 41 N -0.90 4.35 -0.24 1.61 2.12 -1.24 -4.89 118.70 119.51 1o8r s GLU 41 Ca 0.00 2.22 -0.28 0.00 0.36 0.00 0.00 54.97 57.27 1o8r s GLU 41 Cb 0.00 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1o8r s GLU 41 CO 0.00 -0.20 2.14 -1.25 -0.54 0.00 0.00 175.26 175.41 1o8r s PRO 42 N -1.66 3.16 0.01 4.30 0.05 -1.26 -4.86 135.00 134.74 1o8r s PRO 42 Ca 0.50 1.91 0.02 0.00 0.05 0.00 0.00 61.00 63.47 1o8r s PRO 42 Cb -0.40 -4.34 -0.01 0.00 0.05 0.00 0.00 34.50 29.80 1o8r s PRO 42 CO 0.52 -2.07 -0.06 0.08 0.05 0.00 0.00 177.00 175.52 1o8r s VAL 43 N 8.06 0.45 -1.10 -0.36 1.01 -1.26 -4.88 120.40 122.32 1o8r s VAL 43 Ca 0.97 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1o8r s VAL 43 Cb -0.31 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1o8r s VAL 43 CO 0.35 -0.03 0.89 0.52 0.00 0.00 0.00 175.10 176.82 1o8r n VAL 44 N 2.50 -7.82 -0.24 2.92 0.31 -1.26 -4.30 118.33 110.43 1o8r n VAL 44 Ca -0.16 -1.11 -0.07 0.00 -0.01 0.00 0.00 64.34 62.99 1o8r n VAL 44 Cb 0.57 -5.73 0.04 0.00 -0.91 0.00 0.00 33.84 27.82 1o8r n VAL 44 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1o8r h PRO 45 N -1.40 0.96 0.00 5.55 0.14 -1.89 -3.39 132.00 131.96 1o8r h PRO 45 Ca -0.62 -0.15 0.00 0.00 0.14 0.00 0.00 66.00 65.37 1o8r h PRO 45 Cb 1.33 -0.17 0.00 0.00 0.14 0.00 0.00 31.00 32.30 1o8r h PRO 45 CO 0.46 0.77 -0.34 -0.89 0.14 0.00 0.00 178.00 178.15 1o8r n ILE 46 N -4.46 0.00 0.00 -3.56 2.08 -1.26 -5.04 119.36 107.12 1o8r n ILE 46 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 1o8r n ILE 46 Cb 0.14 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 1o8r n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1o8r n LEU 47 N -0.93 0.00 -2.24 1.39 -0.00 -1.26 -4.94 117.00 109.02 1o8r n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1o8r n LEU 47 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1o8r n LEU 47 CO 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 177.39 176.96 1o8r n SER 49 N 1.89 1.91 -4.61 0.00 3.41 -1.26 -4.81 113.62 110.15 1o8r n SER 49 Ca 0.00 0.40 -0.43 0.00 -0.26 0.00 0.00 58.87 58.58 1o8r n SER 49 Cb 0.00 -0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 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 -6.77 6.69 0.22 4.04 0.01 -1.26 -4.87 114.94 113.00 1o8r s ASN 50 Ca -0.31 0.58 0.19 0.00 -0.71 0.00 0.00 52.86 52.61 1o8r s ASN 50 Cb 0.09 -2.55 0.90 0.00 0.41 0.00 0.00 41.25 40.09 1o8r s ASN 50 CO 0.47 -1.18 1.59 -0.81 -1.51 0.00 0.00 177.10 175.66 1o8r n PRO 51 N 7.64 0.13 -0.32 -0.60 -0.05 -1.26 -1.88 135.00 138.67 1o8r n PRO 51 Ca 0.12 0.47 0.09 0.00 -0.05 0.00 0.00 63.50 64.13 1o8r n PRO 51 Cb 0.49 -1.81 0.22 0.00 -0.05 0.00 0.00 33.50 32.34 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 -2.07 3.32 -4.57 3.54 3.02 -1.26 -4.95 115.26 112.28 1o8r n ASN 52 Ca 0.01 -3.06 -0.29 0.00 -0.03 0.00 0.00 54.58 51.21 1o8r n ASN 52 Cb 0.14 -0.51 0.13 0.00 -0.61 0.00 0.00 39.78 38.93 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1o8r s PHE 53 N -2.86 2.37 -0.55 3.10 -0.71 -0.79 -4.80 117.98 113.74 1o8r s PHE 53 Ca 0.39 0.56 -0.25 0.00 -1.04 0.00 0.00 56.93 56.58 1o8r s PHE 53 Cb 0.32 -3.76 -0.26 0.00 -1.21 0.00 0.00 43.02 38.11 1o8r s PHE 53 CO 0.07 -2.14 1.75 -2.30 -1.34 0.00 0.00 175.22 171.25 1o8r n PRO 54 N -3.50 0.05 -0.34 1.99 -0.01 -1.26 -4.65 135.00 127.27 1o8r n PRO 54 Ca 0.11 -1.22 0.34 0.00 -0.01 0.00 0.00 63.50 62.71 1o8r n PRO 54 Cb 0.60 -3.03 0.52 0.00 -0.01 0.00 0.00 33.50 31.58 1o8r n PRO 54 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 1o8r n GLU 55 N 7.55 0.01 0.23 -0.52 0.28 -1.26 0.19 120.64 127.13 1o8r n GLU 55 Ca 0.38 1.00 0.16 0.00 -0.16 0.00 0.00 57.16 58.54 1o8r n GLU 55 Cb 0.44 -2.42 0.72 0.00 1.43 0.00 0.00 31.44 31.61 1o8r n GLU 55 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1o8r h GLU 56 N 0.00 0.00 -0.10 3.44 5.08 -1.98 2.13 114.58 123.14 1o8r h GLU 56 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1o8r h GLU 56 Cb 3.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.30 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1o8r n LEU 57 N -3.16 0.61 -0.36 1.33 4.77 0.51 -4.31 117.00 116.39 1o8r n LEU 57 Ca 0.02 -0.30 0.03 0.00 -0.03 0.00 0.00 56.01 55.74 1o8r n LEU 57 Cb 0.56 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.68 1o8r n LEU 57 CO 0.18 0.15 0.63 1.17 -1.33 0.00 0.00 177.39 178.18 1o8r n LYS 58 N -0.21 -0.14 -0.32 3.23 4.81 0.72 0.11 118.16 126.35 1o8r n LYS 58 Ca 0.06 1.53 0.05 0.00 -0.87 0.00 0.00 58.31 59.08 1o8r n LYS 58 Cb 0.11 -2.29 0.20 0.00 0.02 0.00 0.00 35.03 33.07 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 0.85 -0.46 1.64 0.10 -1.82 -0.78 132.00 131.53 1o8r h PRO 59 Ca 0.43 -0.05 -0.03 0.00 0.10 0.00 0.00 66.00 66.45 1o8r h PRO 59 Cb 0.67 -0.19 -0.02 0.00 0.10 0.00 0.00 31.00 31.56 1o8r h PRO 59 CO -1.00 0.56 0.16 -0.07 0.10 0.00 0.00 178.00 177.75 1o8r h LEU 60 N 0.88 0.61 -1.39 2.35 4.07 0.41 -1.90 115.31 120.33 1o8r h LEU 60 Ca 0.44 -0.08 -0.06 0.00 0.08 0.00 0.00 57.88 58.26 1o8r h LEU 60 Cb 0.41 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1o8r h LEU 60 CO -0.25 0.57 -0.30 0.00 -1.08 0.00 0.00 178.44 177.38 1o8r n LYS 62 N -3.93 0.77 -4.47 0.00 5.02 -0.72 -3.92 118.16 110.91 1o8r n LYS 62 Ca -0.02 -0.11 -0.24 0.00 -2.02 0.00 0.00 58.31 55.92 1o8r n LYS 62 Cb 0.37 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1o8r s GLU 63 N -2.31 1.24 0.00 1.97 -1.05 -0.83 -5.00 118.70 112.72 1o8r s GLU 63 Ca 0.36 -1.01 0.05 0.00 -0.15 0.00 0.00 54.97 54.22 1o8r s GLU 63 Cb 0.21 -1.40 0.24 0.00 -0.44 0.00 0.00 34.13 32.74 1o8r s GLU 63 CO 0.42 0.34 1.04 -0.35 0.95 0.00 0.00 175.26 177.67 1o8r n PRO 64 N 1.55 0.05 0.18 -4.83 -0.05 -1.26 -1.78 135.00 128.86 1o8r n PRO 64 Ca -0.18 0.29 0.07 0.00 -0.05 0.00 0.00 63.50 63.63 1o8r n PRO 64 Cb 0.54 -1.50 0.10 0.00 -0.05 0.00 0.00 33.50 32.58 1o8r n PRO 64 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 1o8r h ASN 65 N 0.00 0.00 -1.02 3.54 2.35 -1.95 -3.29 115.58 115.21 1o8r h ASN 65 Ca 0.00 0.00 0.27 0.00 -0.55 0.00 0.00 56.30 56.02 1o8r h ASN 65 Cb 0.06 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.30 1o8r h ASN 65 CO 0.00 0.27 0.61 0.00 -1.65 0.00 0.00 177.43 176.66 1o8r h ALA 66 N 1.73 1.91 -0.77 -0.83 0.00 -1.33 0.54 119.26 120.51 1o8r h ALA 66 Ca -0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1o8r h ALA 66 Cb 1.20 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1o8r h ALA 66 CO 0.03 -0.41 0.43 1.96 0.00 0.00 0.00 179.25 181.26 1o8r h GLN 67 N 0.49 1.08 0.21 0.00 4.20 -1.75 0.89 115.11 120.23 1o8r h GLN 67 Ca 0.66 -0.13 -0.32 0.00 0.06 0.00 0.00 58.65 58.93 1o8r h GLN 67 Cb 1.39 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 28.98 1o8r h GLN 67 CO -0.47 0.80 -1.42 0.93 -0.67 0.00 0.00 178.83 177.99 1o8r h GLU 68 N 1.07 0.44 -0.64 1.46 5.08 -0.75 -3.30 114.58 117.95 1o8r h GLU 68 Ca 0.27 -0.75 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 1o8r h GLU 68 Cb 0.03 0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1o8r h GLU 68 CO -0.04 1.36 0.09 0.82 -1.00 0.00 0.00 179.01 180.23 1o8r h ILE 69 N 0.12 1.26 -0.07 3.13 2.04 0.05 -3.09 117.51 120.95 1o8r h ILE 69 Ca -0.22 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.63 1o8r h ILE 69 Cb 2.10 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 1o8r h ILE 69 CO 0.25 0.39 -0.11 0.25 0.00 0.00 0.00 178.15 178.93 1o8r h LEU 70 N 0.99 -0.32 -0.28 1.44 7.12 -0.92 -1.79 115.31 121.54 1o8r h LEU 70 Ca 0.19 0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.33 1o8r h LEU 70 Cb 0.45 0.15 -0.08 0.00 -0.53 0.00 0.00 40.66 40.65 1o8r h LEU 70 CO 0.01 -0.15 -0.33 1.56 -0.13 0.00 0.00 178.44 179.41 1o8r h GLN 71 N -0.15 -0.30 -0.11 1.25 4.20 -1.61 -1.01 115.11 117.37 1o8r h GLN 71 Ca 0.06 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1o8r h GLN 71 Cb 0.24 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.03 1o8r h GLN 71 CO -0.16 -0.20 -0.28 0.00 -0.67 0.00 0.00 178.83 177.52 1o8r h ARG 72 N -0.32 -0.35 -0.56 1.46 3.08 -1.45 -1.60 114.38 114.64 1o8r h ARG 72 Ca 0.14 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.32 1o8r h ARG 72 Cb 0.54 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 30.56 1o8r h ARG 72 CO -0.46 -0.24 -0.16 -0.07 -1.07 0.00 0.00 179.97 177.97 1o8r h LEU 73 N -0.37 -0.59 -0.18 3.04 3.38 -0.52 -0.66 115.31 119.41 1o8r h LEU 73 Ca 0.09 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.29 1o8r h LEU 73 Cb 0.51 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1o8r h LEU 73 CO -0.32 -0.20 -0.16 -0.33 0.09 0.00 0.00 178.44 177.52 1o8r h GLU 74 N -0.03 -0.16 0.26 1.13 4.39 -0.33 0.39 114.58 120.22 1o8r h GLU 74 Ca 0.27 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.98 1o8r h GLU 74 Cb 0.43 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1o8r h GLU 74 CO -0.59 -0.11 -0.37 1.49 -1.16 0.00 0.00 179.01 178.27 1o8r h GLU 75 N -0.17 -0.67 -0.57 2.33 4.81 -0.27 -1.27 114.58 118.76 1o8r h GLU 75 Ca 0.11 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1o8r h GLU 75 Cb 0.34 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1o8r h GLU 75 CO -0.28 -0.45 0.38 0.82 -0.73 0.00 0.00 179.01 178.75 1o8r h ILE 76 N -0.69 1.07 -0.59 2.32 2.04 -0.97 -0.36 117.51 120.33 1o8r h ILE 76 Ca -0.00 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.69 1o8r h ILE 76 Cb 0.66 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1o8r h ILE 76 CO -0.14 0.12 0.39 0.00 0.00 0.00 0.00 178.15 178.53 1o8r h ALA 77 N 1.67 1.81 -0.92 1.87 0.00 0.87 -1.32 119.26 123.23 1o8r h ALA 77 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1o8r h ALA 77 Cb 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1o8r h ALA 77 CO -0.06 0.10 0.59 1.49 0.00 0.00 0.00 179.25 181.36 1o8r h GLU 78 N 0.58 1.23 -3.39 0.00 4.57 -0.13 2.16 114.58 119.60 1o8r h GLU 78 Ca 0.25 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.23 1o8r h GLU 78 Cb 0.26 -0.27 -0.18 0.00 -0.16 0.00 0.00 28.75 28.40 1o8r h GLU 78 CO -0.07 0.83 -0.34 -0.51 -1.18 0.00 0.00 179.01 177.75 1o8r s ASP 79 N -6.09 -0.05 0.07 1.04 1.11 -0.50 -3.47 116.67 108.78 1o8r s ASP 79 Ca -0.13 -0.23 -0.36 0.00 0.18 0.00 0.00 52.55 52.01 1o8r s ASP 79 Cb 0.17 0.31 -0.19 0.00 1.07 0.00 0.00 42.92 44.27 1o8r s ASP 79 CO 0.81 -0.54 1.58 -0.65 1.18 0.00 0.00 175.17 177.55 1o8r h PRO 80 N 3.51 -1.13 0.00 8.23 0.10 -1.87 -3.42 132.00 137.43 1o8r h PRO 80 Ca -0.31 0.08 0.00 0.00 0.10 0.00 0.00 66.00 65.86 1o8r h PRO 80 Cb 1.19 0.26 0.00 0.00 0.10 0.00 0.00 31.00 32.55 1o8r h PRO 80 CO 0.46 -0.75 0.00 0.41 0.10 0.00 0.00 178.00 178.21 1o8r n GLY 81 N -1.61 0.34 0.18 -0.55 0.00 -1.26 -3.42 105.19 98.87 1o8r n GLY 81 Ca -0.15 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 0.17 0.05 2.61 1.35 -1.97 -3.34 112.91 111.78 1o8r h THR 82 Ca 0.00 -1.26 0.02 0.00 -0.55 0.00 0.00 66.41 64.63 1o8r h THR 82 Cb 0.00 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 1o8r h THR 82 CO 0.00 0.10 -0.21 0.00 -0.25 0.00 0.00 175.52 175.16 1o8r h GLU 84 N -0.36 0.00 -0.67 0.00 4.81 -1.71 -1.01 114.58 115.64 1o8r h GLU 84 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1o8r h GLU 84 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1o8r h GLU 84 CO -0.16 0.03 0.00 0.44 -0.73 0.00 0.00 179.01 178.59 1o8r n ILE 85 N -4.19 1.55 -1.21 2.32 -5.35 -0.57 -4.90 119.36 107.01 1o8r n ILE 85 Ca -0.03 -1.09 -0.10 0.00 -0.27 0.00 0.00 62.75 61.26 1o8r n ILE 85 Cb 0.11 0.21 -0.04 0.00 -1.74 0.00 0.00 39.64 38.18 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 0.29 1.00 -2.60 0.00 0.00 -1.25 -3.44 119.26 113.26 1o8r h ALA 87 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1o8r h ALA 87 Cb 0.95 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 1o8r h ALA 87 CO 0.30 0.00 -0.56 0.71 0.00 0.00 0.00 179.25 179.70 1o8r s TYR 88 N -3.43 1.03 -2.00 0.00 1.51 -1.24 -5.01 117.35 108.21 1o8r s TYR 88 Ca 0.02 -1.28 0.18 0.00 -1.01 0.00 0.00 57.07 54.98 1o8r s TYR 88 Cb 0.09 -0.46 1.06 0.00 -0.11 0.00 0.00 41.96 42.54 1o8r s TYR 88 CO 0.36 -0.67 1.56 0.00 -1.11 0.00 0.00 175.55 175.69 1o8r n ALA 89 N -0.27 2.41 -0.03 3.71 0.00 -1.26 -3.53 120.51 121.55 1o8r n ALA 89 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1o8r n ALA 89 Cb 0.65 -1.29 0.32 0.00 0.00 0.00 0.00 19.45 19.13 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 3.30 1.46 -3.04 0.00 0.00 -1.89 -3.41 119.26 115.68 1o8r h ALA 90 Ca 0.00 -0.14 -0.64 0.00 0.00 0.00 0.00 54.91 54.13 1o8r h ALA 90 Cb 0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 17.79 17.43 1o8r h ALA 90 CO 0.00 0.41 -0.57 0.00 0.00 0.00 0.00 179.25 179.08 1o8r s THR 92 N 1.25 3.61 0.00 0.00 -4.23 -0.78 -4.72 115.64 110.77 1o8r s THR 92 Ca 0.06 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1o8r s THR 92 Cb -0.14 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1o8r s THR 92 CO 0.05 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1o8r n GLY 93 N -0.15 0.77 0.00 3.99 0.00 -1.26 -1.40 105.19 107.14 1o8r n GLY 93 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32