#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weo s SER 2 N 0.00 4.18 -0.10 1.61 0.01 -1.26 -5.06 113.70 113.07 1weo s SER 2 Ca 0.00 1.52 -0.02 0.00 1.31 0.00 0.00 55.95 58.76 1weo s SER 2 Cb 0.00 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 64.03 1weo s SER 2 CO 0.00 -2.20 0.03 -0.44 0.41 0.00 0.00 173.24 171.04 1weo s SER 3 N -3.59 1.87 0.00 2.44 0.01 -1.26 -4.67 113.70 108.49 1weo s SER 3 Ca 0.62 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1weo s SER 3 Cb -0.16 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1weo s SER 3 CO 0.56 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1weo n GLY 4 N 5.16 4.51 3.28 3.44 0.00 -1.23 -5.08 105.19 115.27 1weo n GLY 4 Ca -0.07 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 1weo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weo s SER 5 N 0.00 -0.21 0.02 1.61 0.01 -1.26 -4.74 113.70 109.12 1weo s SER 5 Ca 0.00 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1weo s SER 5 Cb 0.00 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1weo s SER 5 CO 0.00 -0.60 0.00 -1.54 0.41 0.00 0.00 173.24 171.51 1weo n SER 6 N 0.68 0.13 -2.28 2.44 3.41 -1.26 -5.12 113.62 111.62 1weo n SER 6 Ca -0.19 0.03 -0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1weo n SER 6 Cb 0.59 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1weo n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1weo n GLY 7 N 2.86 -3.96 2.31 5.00 0.00 -1.26 -5.04 105.19 105.10 1weo n GLY 7 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 1weo n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1weo n PRO 8 N 0.60 -2.42 -1.03 1.61 -0.04 -1.26 -4.90 135.00 127.56 1weo n PRO 8 Ca -0.06 -1.15 -0.35 0.00 -0.04 0.00 0.00 63.50 61.90 1weo n PRO 8 Cb 0.09 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1weo n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1weo n LYS 9 N -3.70 0.00 -2.04 0.54 4.76 -1.26 -4.71 118.16 111.75 1weo n LYS 9 Ca 0.10 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.16 1weo n LYS 9 Cb 0.39 -0.75 -0.03 0.00 -1.84 0.00 0.00 35.03 32.80 1weo n LYS 9 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1weo s PRO 10 N -0.75 2.62 0.34 1.97 0.04 -1.26 -4.97 135.00 132.99 1weo s PRO 10 Ca 0.47 0.60 0.09 0.00 0.04 0.00 0.00 61.00 62.21 1weo s PRO 10 Cb -0.64 -4.40 -0.06 0.00 0.04 0.00 0.00 34.50 29.44 1weo s PRO 10 CO 0.43 -2.74 -0.04 -1.17 0.04 0.00 0.00 177.00 173.52 1weo s LEU 11 N 9.11 2.85 0.32 -3.56 2.96 -1.26 -5.02 118.68 124.08 1weo s LEU 11 Ca 0.67 -1.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1weo s LEU 11 Cb -0.13 -1.17 0.84 0.00 0.50 0.00 0.00 46.19 46.23 1weo s LEU 11 CO 0.20 -0.22 1.58 0.11 -1.32 0.00 0.00 176.35 176.70 1weo h LYS 12 N 1.92 0.02 -7.25 1.98 6.56 -2.01 -3.41 116.57 114.38 1weo h LYS 12 Ca -0.42 -0.00 -0.44 0.00 -1.06 0.00 0.00 60.65 58.72 1weo h LYS 12 Cb 1.25 -0.00 0.19 0.00 -0.57 0.00 0.00 32.23 33.09 1weo h LYS 12 CO 0.69 0.01 0.09 -0.80 -2.06 0.00 0.00 179.45 177.38 1weo s ASN 13 N -4.94 1.68 -1.61 0.86 0.01 -1.26 -3.63 114.94 106.05 1weo s ASN 13 Ca -0.12 1.34 -0.16 0.00 -0.71 0.00 0.00 52.86 53.21 1weo s ASN 13 Cb 0.30 -2.07 0.12 0.00 0.41 0.00 0.00 41.25 40.00 1weo s ASN 13 CO 0.78 -3.74 0.91 0.18 -1.51 0.00 0.00 177.10 173.72 1weo n LEU 14 N -4.59 -2.20 -0.26 0.60 4.77 -1.26 -4.79 117.00 109.27 1weo n LEU 14 Ca 0.04 -0.87 0.12 0.00 -0.03 0.00 0.00 56.01 55.27 1weo n LEU 14 Cb 0.56 -2.37 0.24 0.00 -2.33 0.00 0.00 43.42 39.52 1weo n LEU 14 CO 0.58 0.40 0.61 0.47 -1.33 0.00 0.00 177.39 178.11 1weo n ASP 15 N -2.76 -0.06 0.00 -1.43 9.92 -1.24 -4.74 116.55 116.24 1weo n ASP 15 Ca 0.06 1.27 0.00 0.00 -0.53 0.00 0.00 54.79 55.59 1weo n ASP 15 Cb 0.51 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1weo n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1weo n GLY 16 N -1.36 2.79 0.44 0.44 0.00 -1.26 -4.98 105.19 101.25 1weo n GLY 16 Ca 0.18 -0.33 0.34 0.00 0.00 0.00 0.00 46.02 46.21 1weo n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1weo n GLN 17 N 0.00 -0.01 -1.68 1.61 6.02 -1.26 -4.29 117.38 117.76 1weo n GLN 17 Ca 0.00 0.85 -0.43 0.00 -0.01 0.00 0.00 57.00 57.42 1weo n GLN 17 Cb 0.00 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.41 1weo n GLN 17 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1weo n PHE 18 N -3.77 2.57 -1.53 1.08 3.01 -1.26 -3.40 117.46 114.16 1weo n PHE 18 Ca 0.31 -0.17 -0.39 0.00 1.01 0.00 0.00 57.45 58.22 1weo n PHE 18 Cb 1.32 -2.73 0.04 0.00 -0.01 0.00 0.00 39.48 38.09 1weo n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1weo n GLU 20 N -0.29 0.67 0.03 0.00 -0.58 -1.18 -2.87 120.64 116.43 1weo n GLU 20 Ca 0.12 0.11 -0.14 0.00 -0.42 0.00 0.00 57.16 56.83 1weo n GLU 20 Cb 0.46 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.77 1weo n GLU 20 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1weo h ILE 21 N 0.00 0.09 0.00 -3.67 2.04 -1.93 -3.35 117.51 110.69 1weo h ILE 21 Ca -0.53 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 64.99 1weo h ILE 21 Cb 1.91 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1weo h ILE 21 CO -0.06 0.00 -2.20 0.00 0.00 0.00 0.00 178.15 175.89 1weo n GLY 23 N 2.20 3.59 2.50 0.00 0.00 -1.14 -4.38 105.19 107.96 1weo n GLY 23 Ca -0.39 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 1weo n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1weo n ASP 24 N 0.00 -2.28 -4.63 1.61 9.92 -1.26 -3.55 116.55 116.36 1weo n ASP 24 Ca 0.00 0.60 -0.43 0.00 -0.53 0.00 0.00 54.79 54.43 1weo n ASP 24 Cb 0.00 -0.67 -0.02 0.00 -0.64 0.00 0.00 41.12 39.79 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1weo s GLN 25 N -0.76 3.88 -0.20 -1.24 0.74 -1.26 -0.85 119.66 119.97 1weo s GLN 25 Ca 0.45 1.20 -0.30 0.00 0.05 0.00 0.00 55.36 56.76 1weo s GLN 25 Cb -0.47 -3.89 -0.07 0.00 1.10 0.00 0.00 33.01 29.68 1weo s GLN 25 CO 0.48 -1.17 2.16 -0.89 -0.55 0.00 0.00 175.29 175.32 1weo n ILE 26 N 6.30 0.38 0.00 -2.34 5.41 -1.22 -4.85 119.36 123.04 1weo n ILE 26 Ca 0.15 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1weo n ILE 26 Cb 0.47 -2.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 1weo n ILE 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1weo n GLY 27 N 5.66 -1.05 3.75 7.39 0.00 -1.26 -4.82 105.19 114.86 1weo n GLY 27 Ca 0.30 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 1weo n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1weo s LEU 28 N 0.00 2.99 0.00 0.99 1.43 -1.26 -3.55 118.68 119.28 1weo s LEU 28 Ca 0.00 -1.16 -0.08 0.00 -1.03 0.00 0.00 54.13 51.86 1weo s LEU 28 Cb 0.00 -1.32 0.16 0.00 0.03 0.00 0.00 46.19 45.06 1weo s LEU 28 CO 0.00 -0.63 1.03 0.35 0.23 0.00 0.00 176.35 177.33 1weo n THR 29 N -1.28 0.00 -0.32 5.49 -2.24 0.19 -4.76 114.28 111.36 1weo n THR 29 Ca -0.03 -1.09 0.04 0.00 -2.27 0.00 0.00 64.05 60.70 1weo n THR 29 Cb 0.65 -1.29 0.18 0.00 -2.10 0.00 0.00 70.33 67.77 1weo n THR 29 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1weo h VAL 30 N -1.17 0.94 0.37 2.28 2.07 -1.97 -2.95 116.25 115.81 1weo h VAL 30 Ca -0.33 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1weo h VAL 30 Cb 1.05 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1weo h VAL 30 CO 0.28 0.16 -0.18 -0.33 0.02 0.00 0.00 177.57 177.53 1weo h GLU 31 N 0.90 -0.48 0.00 1.57 4.39 -2.03 -3.48 114.58 115.45 1weo h GLU 31 Ca 0.43 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1weo h GLU 31 Cb 0.36 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1weo h GLU 31 CO -0.24 -0.19 0.00 0.41 -1.16 0.00 0.00 179.01 177.83 1weo n GLY 32 N 0.13 0.00 3.38 -3.84 0.00 -1.11 -5.17 105.19 98.57 1weo n GLY 32 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1weo n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1weo s ASP 33 N 0.00 2.65 0.13 1.61 1.11 -1.26 -4.82 116.67 116.09 1weo s ASP 33 Ca 0.00 -1.10 -0.32 0.00 0.18 0.00 0.00 52.55 51.31 1weo s ASP 33 Cb 0.00 -0.15 -0.11 0.00 1.07 0.00 0.00 42.92 43.73 1weo s ASP 33 CO 0.00 -0.26 1.80 -0.11 1.18 0.00 0.00 175.17 177.78 1weo n LEU 34 N -0.48 3.92 -4.56 1.23 -0.00 -1.26 0.56 117.00 116.41 1weo n LEU 34 Ca -0.07 1.01 -0.30 0.00 -0.00 0.00 0.00 56.01 56.65 1weo n LEU 34 Cb 0.62 -1.53 -0.05 0.00 -0.00 0.00 0.00 43.42 42.46 1weo n LEU 34 CO 0.37 0.12 1.37 0.12 -0.00 0.00 0.00 177.39 179.38 1weo s PHE 35 N 2.37 1.93 -1.19 1.96 5.36 -1.23 -4.79 117.98 122.39 1weo s PHE 35 Ca 0.81 0.38 -0.20 0.00 -0.96 0.00 0.00 56.93 56.95 1weo s PHE 35 Cb -0.51 -4.16 0.06 0.00 -0.34 0.00 0.00 43.02 38.06 1weo s PHE 35 CO 0.37 -1.80 1.64 0.08 -1.46 0.00 0.00 175.22 174.06 1weo s VAL 36 N 9.13 4.02 0.12 3.12 1.01 -1.26 -4.79 120.40 131.76 1weo s VAL 36 Ca 0.66 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1weo s VAL 36 Cb -0.06 -5.11 -0.10 0.00 0.00 0.00 0.00 36.38 31.11 1weo s VAL 36 CO -0.02 -1.95 1.49 0.00 0.00 0.00 0.00 175.10 174.63 1weo h ALA 37 N 8.50 -0.72 -4.30 5.51 0.00 -1.81 -3.41 119.26 123.02 1weo h ALA 37 Ca 0.35 0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.57 1weo h ALA 37 Cb 0.92 1.11 -0.26 0.00 0.00 0.00 0.00 17.79 19.56 1weo h ALA 37 CO 1.44 -0.97 -0.86 0.00 0.00 0.00 0.00 179.25 178.85 1weo n ASN 39 N 1.93 3.65 -0.13 0.00 5.15 -1.26 -3.83 115.26 120.78 1weo n ASN 39 Ca -0.17 -0.02 -0.14 0.00 -0.60 0.00 0.00 54.58 53.66 1weo n ASN 39 Cb 0.52 0.12 -0.09 0.00 -0.53 0.00 0.00 39.78 39.80 1weo n ASN 39 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1weo h GLU 40 N 0.00 -0.39 0.01 1.20 4.57 -1.98 -3.27 114.58 114.72 1weo h GLU 40 Ca -0.13 0.03 -0.39 0.00 -1.18 0.00 0.00 59.36 57.69 1weo h GLU 40 Cb 1.22 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.84 1weo h GLU 40 CO -0.01 -0.26 -2.43 0.00 -1.18 0.00 0.00 179.01 175.13 1weo n GLY 42 N 2.21 1.24 3.67 0.00 0.00 -1.24 -5.08 105.19 106.00 1weo n GLY 42 Ca -0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1weo n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1weo s PHE 43 N -2.00 3.41 0.04 1.61 5.36 -1.26 -4.97 117.98 120.18 1weo s PHE 43 Ca 0.00 1.36 -0.31 0.00 -0.96 0.00 0.00 56.93 57.02 1weo s PHE 43 Cb 0.00 -3.10 -0.06 0.00 -0.34 0.00 0.00 43.02 39.51 1weo s PHE 43 CO 0.00 -0.30 1.41 -1.25 -1.46 0.00 0.00 175.22 173.62 1weo s PRO 44 N 2.39 4.29 -0.26 10.12 0.04 -1.26 -3.57 135.00 146.75 1weo s PRO 44 Ca 0.41 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.44 1weo s PRO 44 Cb -0.16 -3.47 0.14 0.00 0.04 0.00 0.00 34.50 31.05 1weo s PRO 44 CO 0.12 -0.54 0.47 0.00 0.04 0.00 0.00 177.00 177.09 1weo s ALA 45 N 1.98 -1.52 1.10 8.56 0.00 -1.26 -3.12 121.76 127.50 1weo s ALA 45 Ca 0.65 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.89 1weo s ALA 45 Cb -0.34 -1.76 0.21 0.00 0.00 0.00 0.00 23.12 21.23 1weo s ALA 45 CO 0.28 -1.16 0.47 0.00 0.00 0.00 0.00 175.76 175.35 1weo h ARG 47 N 0.00 -0.25 -0.27 0.00 2.43 -1.97 -2.34 114.38 111.97 1weo h ARG 47 Ca -0.21 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1weo h ARG 47 Cb 0.72 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1weo h ARG 47 CO 0.13 0.09 0.00 -0.35 -1.51 0.00 0.00 179.97 178.33 1weo n PRO 48 N -5.04 0.49 0.00 0.20 -0.04 -1.26 -2.05 135.00 127.30 1weo n PRO 48 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1weo n PRO 48 Cb 0.24 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1weo n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1weo h TYR 50 N 0.00 0.09 -0.14 0.00 5.03 -1.14 -3.22 116.97 117.59 1weo h TYR 50 Ca 0.00 -0.06 0.05 0.00 2.58 0.00 0.00 58.73 61.30 1weo h TYR 50 Cb 0.91 -0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.12 1weo h TYR 50 CO 0.00 1.20 -0.27 0.93 -1.32 0.00 0.00 178.16 178.70 1weo h GLU 51 N -0.89 -0.33 -0.43 1.82 5.08 -1.67 -2.15 114.58 116.01 1weo h GLU 51 Ca -0.13 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1weo h GLU 51 Cb 1.20 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.45 1weo h GLU 51 CO -0.04 -0.22 -0.00 -0.92 -1.00 0.00 0.00 179.01 176.83 1weo h TYR 52 N -0.34 -0.03 -1.47 4.33 3.20 -1.77 0.12 116.97 121.01 1weo h TYR 52 Ca 0.10 0.03 0.43 0.00 3.14 0.00 0.00 58.73 62.44 1weo h TYR 52 Cb 0.49 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.76 1weo h TYR 52 CO -0.37 -0.09 1.03 1.49 -1.64 0.00 0.00 178.16 178.58 1weo h GLU 53 N 0.11 0.06 0.05 1.82 4.57 -1.39 0.83 114.58 120.62 1weo h GLU 53 Ca 0.21 -0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.05 1weo h GLU 53 Cb 0.31 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 1weo h GLU 53 CO -0.36 0.04 -1.89 0.54 -1.18 0.00 0.00 179.01 176.16 1weo n ARG 54 N -4.27 0.66 -0.02 1.92 1.74 -0.03 -0.06 116.66 116.60 1weo n ARG 54 Ca 0.35 0.35 -0.03 0.00 -0.77 0.00 0.00 57.85 57.75 1weo n ARG 54 Cb 1.51 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 31.26 1weo n ARG 54 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1weo h ARG 55 N -0.43 -0.09 0.00 5.56 2.43 0.14 -3.37 114.38 118.63 1weo h ARG 55 Ca -0.46 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1weo h ARG 55 Cb 1.72 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1weo h ARG 55 CO -0.10 -0.06 -0.11 0.39 -1.51 0.00 0.00 179.97 178.58 1weo n GLU 56 N -3.23 5.16 0.00 0.20 1.02 -0.70 -4.90 120.64 118.19 1weo n GLU 56 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1weo n GLU 56 Cb 0.07 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1weo n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1weo n GLY 57 N 0.99 -3.08 0.26 0.62 0.00 -0.32 -4.93 105.19 98.73 1weo n GLY 57 Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.09 1weo n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1weo n THR 58 N -0.11 0.00 -3.44 2.61 -2.24 -0.50 -4.82 114.28 105.78 1weo n THR 58 Ca 0.00 -0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.28 1weo n THR 58 Cb 0.00 1.13 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 1weo n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1weo n GLN 59 N -0.47 -6.94 -3.68 -0.78 6.02 0.92 -5.00 117.38 107.45 1weo n GLN 59 Ca 0.05 0.76 -0.12 0.00 -0.01 0.00 0.00 57.00 57.68 1weo n GLN 59 Cb 0.30 -5.55 -0.12 0.00 1.02 0.00 0.00 30.24 25.89 1weo n GLN 59 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1weo s ASN 60 N -3.23 -0.06 -0.05 1.08 0.01 -1.26 -4.29 114.94 107.13 1weo s ASN 60 Ca 0.51 0.71 -0.36 0.00 -0.71 0.00 0.00 52.86 53.00 1weo s ASN 60 Cb -0.22 0.77 -0.14 0.00 0.41 0.00 0.00 41.25 42.06 1weo s ASN 60 CO 0.63 -0.21 1.67 0.00 -1.51 0.00 0.00 177.10 177.68 1weo n PRO 62 N 4.79 0.49 -0.05 0.00 -0.04 -1.26 0.24 135.00 139.17 1weo n PRO 62 Ca 0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 1weo n PRO 62 Cb 0.23 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 1weo n PRO 62 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1weo n GLN 63 N -0.90 0.23 -0.00 0.54 7.27 -1.26 -4.83 117.38 118.43 1weo n GLN 63 Ca 0.09 0.08 0.01 0.00 0.07 0.00 0.00 57.00 57.25 1weo n GLN 63 Cb 0.04 -1.01 -0.01 0.00 2.41 0.00 0.00 30.24 31.67 1weo n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1weo n LYS 65 N -1.53 -4.64 -4.08 0.00 4.01 0.68 -4.89 118.16 107.71 1weo n LYS 65 Ca -0.00 0.75 -0.23 0.00 -0.51 0.00 0.00 58.31 58.32 1weo n LYS 65 Cb 0.05 -5.49 -0.04 0.00 -0.51 0.00 0.00 35.03 29.03 1weo n LYS 65 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1weo s THR 66 N -3.48 4.63 0.22 -0.18 2.01 -1.26 -4.66 115.64 112.93 1weo s THR 66 Ca 0.14 -1.25 -0.32 0.00 0.31 0.00 0.00 61.69 60.57 1weo s THR 66 Cb -0.03 -3.48 -0.13 0.00 0.01 0.00 0.00 72.50 68.87 1weo s THR 66 CO 0.77 -0.30 1.57 -2.11 -0.69 0.00 0.00 174.62 173.86 1weo n ARG 67 N -1.07 2.36 -2.15 4.92 1.85 -1.26 -3.77 116.66 117.55 1weo n ARG 67 Ca -0.08 0.85 -0.28 0.00 -1.00 0.00 0.00 57.85 57.33 1weo n ARG 67 Cb 0.57 -2.60 0.18 0.00 -1.05 0.00 0.00 32.46 29.56 1weo n ARG 67 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1weo s TYR 68 N 0.52 1.30 -0.16 2.89 1.51 -1.26 -5.02 117.35 117.12 1weo s TYR 68 Ca 0.72 0.04 -0.14 0.00 -1.01 0.00 0.00 57.07 56.68 1weo s TYR 68 Cb -0.60 -3.87 0.04 0.00 -0.11 0.00 0.00 41.96 37.43 1weo s TYR 68 CO 0.42 -2.54 0.43 -1.59 -1.11 0.00 0.00 175.55 171.17 1weo s LYS 69 N -5.72 0.50 -0.17 -0.62 0.00 -1.26 -5.12 119.74 107.34 1weo s LYS 69 Ca 0.74 0.63 -0.38 0.00 0.00 0.00 0.00 55.97 56.96 1weo s LYS 69 Cb -0.03 0.22 -0.15 0.00 0.00 0.00 0.00 37.83 37.87 1weo s LYS 69 CO 0.51 -0.07 1.74 -2.13 0.00 0.00 0.00 175.35 175.40 1weo n ARG 70 N 3.01 1.49 -3.21 1.78 0.63 -1.26 -4.96 116.66 114.14 1weo n ARG 70 Ca -0.14 0.54 -0.19 0.00 -0.92 0.00 0.00 57.85 57.14 1weo n ARG 70 Cb 0.57 -2.27 0.02 0.00 0.45 0.00 0.00 32.46 31.22 1weo n ARG 70 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1weo s LEU 71 N 3.29 3.33 0.17 6.15 1.43 -1.20 -5.01 118.68 126.83 1weo s LEU 71 Ca 0.95 -0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 53.10 1weo s LEU 71 Cb -0.94 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 43.26 1weo s LEU 71 CO 0.59 -0.96 1.58 0.03 0.23 0.00 0.00 176.35 177.81 1weo h ARG 72 N 0.57 -0.23 0.00 1.70 2.47 -2.01 -3.21 114.38 113.68 1weo h ARG 72 Ca -0.37 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.33 1weo h ARG 72 Cb 1.28 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.65 1weo h ARG 72 CO 0.47 -0.16 -0.30 0.78 0.56 0.00 0.00 179.97 181.32 1weo h GLY 73 N -0.24 0.00 -7.09 0.04 0.00 -2.01 -3.45 103.07 90.32 1weo h GLY 73 Ca 0.18 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.92 1weo h GLY 73 CO -0.64 0.00 1.57 -1.26 0.00 0.00 0.00 176.54 176.21 1weo n SER 74 N -4.65 1.11 -2.55 0.19 2.88 -1.21 -4.90 113.62 104.48 1weo n SER 74 Ca -0.09 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1weo n SER 74 Cb 0.29 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1weo n SER 74 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1weo n PRO 75 N 8.30 -0.94 -1.96 -1.46 -0.04 -1.26 -3.27 135.00 134.37 1weo n PRO 75 Ca 0.54 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.67 1weo n PRO 75 Cb 0.14 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.62 1weo n PRO 75 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1weo s ARG 76 N -2.88 3.15 0.29 0.54 3.52 -1.26 -4.84 118.95 117.46 1weo s ARG 76 Ca 0.00 1.29 -0.01 0.00 -0.13 0.00 0.00 55.73 56.88 1weo s ARG 76 Cb 0.00 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.39 1weo s ARG 76 CO 0.00 -0.96 0.39 1.33 -0.81 0.00 0.00 175.30 175.25 1weo n VAL 77 N -2.12 0.00 -0.66 7.11 0.24 -1.26 -5.01 118.33 116.62 1weo n VAL 77 Ca 0.09 -1.53 -0.15 0.00 -2.04 0.00 0.00 64.34 60.72 1weo n VAL 77 Cb 0.52 0.92 0.13 0.00 -1.47 0.00 0.00 33.84 33.94 1weo n VAL 77 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1weo n GLU 78 N -0.48 -2.28 -2.41 7.34 4.71 -1.26 -3.66 120.64 122.59 1weo n GLU 78 Ca 0.01 -0.84 -0.07 0.00 -0.01 0.00 0.00 57.16 56.26 1weo n GLU 78 Cb 0.49 -0.82 -0.01 0.00 -1.01 0.00 0.00 31.44 30.08 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1weo n GLY 79 N -1.37 -0.37 0.11 0.62 0.00 -1.26 -4.71 105.19 98.20 1weo n GLY 79 Ca 0.07 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1weo n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1weo h ASP 80 N -0.14 0.20 -2.14 1.61 2.03 -2.02 -3.48 116.42 112.48 1weo h ASP 80 Ca -0.09 -0.78 0.10 0.00 -0.73 0.00 0.00 57.03 55.53 1weo h ASP 80 Cb 0.83 -0.07 -0.24 0.00 -0.83 0.00 0.00 39.33 39.03 1weo h ASP 80 CO 0.14 1.47 0.16 -0.70 -1.03 0.00 0.00 179.24 179.28 1weo s GLU 81 N -2.40 0.47 0.55 4.15 2.56 -1.26 -5.13 118.70 117.65 1weo s GLU 81 Ca -0.22 0.96 0.08 0.00 0.00 0.00 0.00 54.97 55.80 1weo s GLU 81 Cb 0.03 0.34 0.07 0.00 2.00 0.00 0.00 34.13 36.58 1weo s GLU 81 CO 0.70 -0.12 0.67 0.16 -0.56 0.00 0.00 175.26 176.10 1weo s ASP 82 N 2.00 5.00 -0.37 -1.70 1.47 -1.26 -5.07 116.67 116.74 1weo s ASP 82 Ca -0.07 -0.93 0.13 0.00 1.18 0.00 0.00 52.55 52.85 1weo s ASP 82 Cb -0.06 0.26 0.44 0.00 -0.34 0.00 0.00 42.92 43.22 1weo s ASP 82 CO -0.18 -1.23 1.02 1.21 0.68 0.00 0.00 175.17 176.67 1weo n GLU 83 N -2.08 2.12 -3.47 2.11 4.07 -1.26 -5.07 120.64 117.06 1weo n GLU 83 Ca 0.10 -3.79 -0.13 0.00 -0.06 0.00 0.00 57.16 53.29 1weo n GLU 83 Cb 0.62 -1.67 -0.03 0.00 -0.06 0.00 0.00 31.44 30.30 1weo n GLU 83 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1weo s GLU 84 N -3.30 1.10 -0.69 5.31 2.12 -1.26 -5.05 118.70 116.92 1weo s GLU 84 Ca 0.36 -0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.47 1weo s GLU 84 Cb 0.43 0.51 0.41 0.00 0.26 0.00 0.00 34.13 35.75 1weo s GLU 84 CO -0.06 -0.44 1.90 -0.40 -0.54 0.00 0.00 175.26 175.72 1weo n ASP 85 N 0.06 7.21 -4.71 -1.70 5.75 -1.26 -5.02 116.55 116.87 1weo n ASP 85 Ca -0.16 -3.80 -0.43 0.00 -0.01 0.00 0.00 54.79 50.40 1weo n ASP 85 Cb 0.62 -0.93 -0.01 0.00 -1.03 0.00 0.00 41.12 39.78 1weo n ASP 85 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1weo n ILE 86 N -0.73 1.82 -2.95 2.12 -5.35 -1.26 -4.91 119.36 108.10 1weo n ILE 86 Ca 0.56 -0.46 -0.44 0.00 -0.27 0.00 0.00 62.75 62.15 1weo n ILE 86 Cb 0.52 -1.63 -0.03 0.00 -1.74 0.00 0.00 39.64 36.76 1weo n ILE 86 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1weo s ASP 87 N -0.17 6.54 0.15 7.28 1.47 -1.26 -5.00 116.67 125.68 1weo s ASP 87 Ca 0.57 -1.89 0.09 0.00 1.18 0.00 0.00 52.55 52.50 1weo s ASP 87 Cb -0.56 -2.39 -0.04 0.00 -0.34 0.00 0.00 42.92 39.59 1weo s ASP 87 CO 0.60 -1.09 -0.21 -0.55 0.68 0.00 0.00 175.17 174.60 1weo s SER 88 N 3.56 2.88 0.00 2.11 0.15 -1.26 -5.04 113.70 116.10 1weo s SER 88 Ca 0.29 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1weo s SER 88 Cb -0.08 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1weo s SER 88 CO -0.06 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1weo n GLY 89 N 0.56 -0.71 3.56 9.45 0.00 -1.26 -5.08 105.19 111.72 1weo n GLY 89 Ca -0.15 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1weo n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weo s PRO 90 N 0.00 2.54 0.00 1.61 0.04 -1.26 -4.94 135.00 132.99 1weo s PRO 90 Ca 0.00 -0.47 -0.30 0.00 0.04 0.00 0.00 61.00 60.27 1weo s PRO 90 Cb 0.00 -5.10 -0.05 0.00 0.04 0.00 0.00 34.50 29.39 1weo s PRO 90 CO 0.00 -3.51 1.30 0.45 0.04 0.00 0.00 177.00 175.29 1weo s SER 91 N 7.72 6.95 -0.15 6.66 0.15 -1.26 -4.92 113.70 128.85 1weo s SER 91 Ca 0.70 2.02 -0.10 0.00 0.70 0.00 0.00 55.95 59.27 1weo s SER 91 Cb -0.05 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.62 1weo s SER 91 CO 0.02 -0.63 -0.24 -1.20 1.20 0.00 0.00 173.24 172.39 1weo n SER 92 N 4.95 1.43 0.00 5.45 7.64 -1.26 -5.35 113.62 126.48 1weo n SER 92 Ca 0.12 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1weo n SER 92 Cb 0.45 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1weo n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64