#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 1.37 0.04 1.61 0.01 -1.26 -5.14 113.70 110.33 1weo s SER 2 Ca 0.00 -0.22 -0.11 0.00 1.31 0.00 0.00 55.95 56.93 1weo s SER 2 Cb 0.00 -0.64 0.01 0.00 0.21 0.00 0.00 66.02 65.60 1weo s SER 2 CO 0.00 -0.00 0.24 -0.44 0.41 0.00 0.00 173.24 173.45 1weo s SER 3 N 0.75 -0.03 0.92 2.44 0.01 -1.26 -5.16 113.70 111.38 1weo s SER 3 Ca -0.13 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.73 1weo s SER 3 Cb -0.15 0.32 0.10 0.00 0.21 0.00 0.00 66.02 66.50 1weo s SER 3 CO 0.02 -0.58 0.88 0.61 0.41 0.00 0.00 173.24 174.58 1weo n GLY 4 N 0.66 -0.96 2.94 3.44 0.00 -1.26 -5.02 105.19 104.99 1weo n GLY 4 Ca -0.19 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1weo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weo s SER 5 N -2.38 2.57 1.05 1.61 1.04 -1.26 -5.13 113.70 111.20 1weo s SER 5 Ca 0.64 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 56.38 1weo s SER 5 Cb -0.23 -0.98 0.02 0.00 0.10 0.00 0.00 66.02 64.93 1weo s SER 5 CO 0.61 -0.12 -0.41 -1.54 0.98 0.00 0.00 173.24 172.76 1weo n SER 6 N 4.86 -2.65 0.00 7.02 3.41 -1.26 -5.01 113.62 120.00 1weo n SER 6 Ca -0.14 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1weo n SER 6 Cb 0.49 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 2.57 -1.66 3.76 5.00 0.00 -1.26 -5.15 105.19 108.45 1weo n GLY 7 Ca 0.01 0.75 -0.41 0.00 0.00 0.00 0.00 46.02 46.36 1weo n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weo s PRO 8 N 0.00 4.44 0.15 1.61 0.04 -1.26 -5.04 135.00 134.94 1weo s PRO 8 Ca 0.00 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.16 1weo s PRO 8 Cb 0.00 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1weo s PRO 8 CO 0.00 -0.10 -0.04 -1.59 0.04 0.00 0.00 177.00 175.31 1weo s LYS 9 N -1.14 2.30 1.11 4.56 0.00 -1.26 -5.13 119.74 120.18 1weo s LYS 9 Ca 0.50 -1.09 -0.16 0.00 0.00 0.00 0.00 55.97 55.22 1weo s LYS 9 Cb -0.37 -2.33 0.24 0.00 0.00 0.00 0.00 37.83 35.38 1weo s LYS 9 CO 0.45 0.47 1.10 -1.25 0.00 0.00 0.00 175.35 176.12 1weo s PRO 10 N -2.71 -0.50 0.51 1.78 0.04 -1.26 -4.99 135.00 127.88 1weo s PRO 10 Ca 0.26 0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.28 1weo s PRO 10 Cb -0.10 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 1weo s PRO 10 CO 0.17 -3.28 1.20 -1.17 0.04 0.00 0.00 177.00 173.96 1weo s LEU 11 N -6.73 3.88 0.32 -3.56 2.96 -1.26 -5.05 118.68 109.25 1weo s LEU 11 Ca 0.68 2.38 0.09 0.00 -0.22 0.00 0.00 54.13 57.06 1weo s LEU 11 Cb -0.14 -4.37 -0.05 0.00 0.50 0.00 0.00 46.19 42.14 1weo s LEU 11 CO 0.57 -1.20 0.07 -0.54 -1.32 0.00 0.00 176.35 173.93 1weo s LYS 12 N -2.94 2.27 -0.36 1.98 3.01 -1.26 -5.02 119.74 117.41 1weo s LYS 12 Ca 0.69 -1.57 -0.02 0.00 -1.01 0.00 0.00 55.97 54.06 1weo s LYS 12 Cb -0.30 -2.10 0.16 0.00 -1.01 0.00 0.00 37.83 34.57 1weo s LYS 12 CO 0.35 0.18 2.30 -1.71 0.51 0.00 0.00 175.35 176.98 1weo n ASN 13 N -1.03 6.46 -4.09 2.83 5.15 -1.26 -4.74 115.26 118.57 1weo n ASN 13 Ca -0.04 -3.11 -0.44 0.00 -0.60 0.00 0.00 54.58 50.40 1weo n ASN 13 Cb 0.61 -1.12 0.01 0.00 -0.53 0.00 0.00 39.78 38.74 1weo n ASN 13 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1weo n LEU 14 N 0.55 6.20 -0.06 1.20 4.77 -1.26 -4.78 117.00 123.62 1weo n LEU 14 Ca 0.37 -5.12 -0.05 0.00 -0.03 0.00 0.00 56.01 51.18 1weo n LEU 14 Cb 0.58 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 1weo n LEU 14 CO 0.36 1.57 0.08 0.44 -1.33 0.00 0.00 177.39 178.51 1weo h ASP 15 N 5.79 0.00 0.00 -1.43 3.32 -2.00 -3.50 116.42 118.60 1weo h ASP 15 Ca 0.21 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1weo h ASP 15 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1weo h ASP 15 CO 1.27 0.69 0.00 0.61 -1.72 0.00 0.00 179.24 180.09 1weo n GLY 16 N 1.71 3.43 0.57 2.75 0.00 -1.26 -4.97 105.19 107.42 1weo n GLY 16 Ca -0.04 -0.48 0.40 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -1.78 1.61 6.02 -1.26 -4.33 117.38 117.64 1weo n GLN 17 Ca 0.00 0.92 -0.42 0.00 -0.01 0.00 0.00 57.00 57.49 1weo n GLN 17 Cb 0.00 -2.18 -0.03 0.00 1.02 0.00 0.00 30.24 29.05 1weo n GLN 17 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1weo s PHE 18 N -4.45 2.30 0.59 1.08 0.40 -1.26 -3.41 117.98 113.24 1weo s PHE 18 Ca -0.04 0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.23 1weo s PHE 18 Cb 0.20 -4.11 -0.07 0.00 0.51 0.00 0.00 43.02 39.56 1weo s PHE 18 CO 0.66 -4.49 0.74 0.00 0.70 0.00 0.00 175.22 172.83 1weo n GLU 20 N -0.57 0.62 -0.14 0.00 -0.58 -0.70 -3.02 120.64 116.26 1weo n GLU 20 Ca 0.13 0.18 -0.09 0.00 -0.42 0.00 0.00 57.16 56.95 1weo n GLU 20 Cb 0.48 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.78 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 -0.26 0.00 0.02 -3.67 2.04 -1.93 -3.30 117.51 110.40 1weo h ILE 21 Ca -0.60 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 64.88 1weo h ILE 21 Cb 1.81 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1weo h ILE 21 CO -0.18 0.00 -2.11 0.00 0.00 0.00 0.00 178.15 175.86 1weo n GLY 23 N 1.58 2.90 3.05 0.00 0.00 -1.17 -5.09 105.19 106.46 1weo n GLY 23 Ca -0.44 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 1weo n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1weo n ASP 24 N 0.00 -4.55 -4.62 1.61 -0.08 -1.26 -3.93 116.55 103.72 1weo n ASP 24 Ca 0.00 0.12 -0.41 0.00 -1.51 0.00 0.00 54.79 52.98 1weo n ASP 24 Cb 0.00 -0.72 -0.05 0.00 2.34 0.00 0.00 41.12 42.69 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1weo s GLN 25 N -2.20 4.04 -0.16 -0.67 0.74 -1.26 -0.50 119.66 119.66 1weo s GLN 25 Ca 0.41 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 56.12 1weo s GLN 25 Cb -0.08 -3.69 -0.08 0.00 1.10 0.00 0.00 33.01 30.26 1weo s GLN 25 CO 0.75 -0.56 2.12 -0.89 -0.55 0.00 0.00 175.29 176.17 1weo n ILE 26 N 5.37 0.46 0.00 -2.34 5.41 -1.22 -4.84 119.36 122.20 1weo n ILE 26 Ca 0.02 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1weo n ILE 26 Cb 0.48 -2.32 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 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 5.41 -2.00 3.64 7.39 0.00 -1.26 -4.87 105.19 113.51 1weo n GLY 27 Ca 0.28 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 2.96 0.78 0.99 1.43 -1.26 -3.99 118.68 119.58 1weo s LEU 28 Ca 0.00 -1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 51.84 1weo s LEU 28 Cb 0.00 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 45.07 1weo s LEU 28 CO 0.00 -0.37 1.15 0.42 0.23 0.00 0.00 176.35 177.78 1weo s THR 29 N -2.60 2.55 0.38 5.49 -4.23 0.10 -4.75 115.64 112.58 1weo s THR 29 Ca 0.36 0.18 0.19 0.00 -1.18 0.00 0.00 61.69 61.24 1weo s THR 29 Cb 0.04 -3.16 0.38 0.00 1.34 0.00 0.00 72.50 71.10 1weo s THR 29 CO 0.19 -0.23 1.70 0.58 -0.54 0.00 0.00 174.62 176.33 1weo h VAL 30 N -0.93 0.38 0.00 2.29 2.07 -1.92 -1.63 116.25 116.51 1weo h VAL 30 Ca -0.46 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1weo h VAL 30 Cb 1.30 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1weo h VAL 30 CO 0.65 0.06 -0.09 -0.33 0.02 0.00 0.00 177.57 177.88 1weo h GLU 31 N 0.34 0.00 0.00 1.57 4.39 -1.99 -3.49 114.58 115.39 1weo h GLU 31 Ca 0.69 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.39 1weo h GLU 31 Cb 1.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1weo h GLU 31 CO -0.43 0.69 0.00 0.41 -1.16 0.00 0.00 179.01 178.53 1weo n GLY 32 N 1.65 0.73 3.57 -3.84 0.00 -0.61 -5.15 105.19 101.53 1weo n GLY 32 Ca -0.08 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1weo n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1weo n ASP 33 N 0.00 -0.60 -4.73 1.61 9.92 -1.26 -4.09 116.55 117.39 1weo n ASP 33 Ca 0.00 0.38 -0.42 0.00 -0.53 0.00 0.00 54.79 54.22 1weo n ASP 33 Cb 0.00 -1.37 -0.03 0.00 -0.64 0.00 0.00 41.12 39.08 1weo n ASP 33 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1weo s LEU 34 N -4.53 4.37 -0.77 0.64 1.98 -1.26 0.02 118.68 119.14 1weo s LEU 34 Ca 0.63 2.65 -0.25 0.00 -2.89 0.00 0.00 54.13 54.26 1weo s LEU 34 Cb -0.22 -3.61 -0.04 0.00 0.66 0.00 0.00 46.19 42.98 1weo s LEU 34 CO 0.62 -0.77 1.91 0.12 -1.89 0.00 0.00 176.35 176.33 1weo s PHE 35 N 0.60 1.73 -1.20 5.38 5.36 -1.26 -4.75 117.98 123.85 1weo s PHE 35 Ca 0.65 0.71 -0.15 0.00 -0.96 0.00 0.00 56.93 57.18 1weo s PHE 35 Cb -0.43 -4.06 0.15 0.00 -0.34 0.00 0.00 43.02 38.34 1weo s PHE 35 CO 0.37 -2.01 1.45 0.08 -1.46 0.00 0.00 175.22 173.65 1weo s VAL 36 N 9.62 4.87 0.04 3.12 1.01 -1.26 -4.82 120.40 132.99 1weo s VAL 36 Ca 0.69 -2.44 -0.09 0.00 0.00 0.00 0.00 61.98 60.14 1weo s VAL 36 Cb -0.09 -4.94 -0.03 0.00 0.00 0.00 0.00 36.38 31.32 1weo s VAL 36 CO 0.09 -1.67 1.15 0.00 0.00 0.00 0.00 175.10 174.67 1weo h ALA 37 N 7.37 -0.37 -3.54 5.51 0.00 -1.82 -3.41 119.26 123.00 1weo h ALA 37 Ca 0.32 0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.57 1weo h ALA 37 Cb 0.89 0.88 -0.16 0.00 0.00 0.00 0.00 17.79 19.40 1weo h ALA 37 CO 1.26 -0.45 -0.70 0.00 0.00 0.00 0.00 179.25 179.37 1weo n ASN 39 N 1.31 3.62 -0.11 0.00 2.85 -1.26 -3.87 115.26 117.80 1weo n ASN 39 Ca -0.14 -0.03 -0.12 0.00 -0.11 0.00 0.00 54.58 54.18 1weo n ASN 39 Cb 0.52 -0.03 -0.08 0.00 1.24 0.00 0.00 39.78 41.43 1weo n ASN 39 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1weo h GLU 40 N 0.00 -0.33 0.02 1.20 4.57 -1.97 -3.28 114.58 114.78 1weo h GLU 40 Ca -0.12 0.02 -0.38 0.00 -1.18 0.00 0.00 59.36 57.70 1weo h GLU 40 Cb 1.19 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.79 1weo h GLU 40 CO -0.02 -0.22 -2.40 0.00 -1.18 0.00 0.00 179.01 175.20 1weo n GLY 42 N 2.15 1.85 3.66 0.00 0.00 -1.24 -5.06 105.19 106.56 1weo n GLY 42 Ca -0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 2.23 -0.30 1.61 5.36 -1.26 -4.92 117.98 118.70 1weo s PHE 43 Ca 0.00 0.45 -0.29 0.00 -0.96 0.00 0.00 56.93 56.14 1weo s PHE 43 Cb 0.00 -3.81 -0.02 0.00 -0.34 0.00 0.00 43.02 38.85 1weo s PHE 43 CO 0.00 -3.17 1.66 -1.25 -1.46 0.00 0.00 175.22 171.01 1weo s PRO 44 N 3.97 3.56 -0.11 10.12 0.04 -1.26 -3.59 135.00 147.73 1weo s PRO 44 Ca 0.68 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 1weo s PRO 44 Cb -0.29 -4.10 0.05 0.00 0.04 0.00 0.00 34.50 30.19 1weo s PRO 44 CO 0.25 -1.58 0.09 0.00 0.04 0.00 0.00 177.00 175.80 1weo s ALA 45 N 5.97 0.25 1.17 8.56 0.00 -1.26 -1.72 121.76 134.73 1weo s ALA 45 Ca 0.74 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.57 1weo s ALA 45 Cb -0.22 -0.86 0.22 0.00 0.00 0.00 0.00 23.12 22.26 1weo s ALA 45 CO 0.32 -0.84 0.50 0.00 0.00 0.00 0.00 175.76 175.74 1weo h ARG 47 N 0.00 -0.22 -0.28 0.00 2.43 -1.97 -2.12 114.38 112.22 1weo h ARG 47 Ca -0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1weo h ARG 47 Cb 0.77 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1weo h ARG 47 CO 0.14 0.15 0.00 -0.35 -1.51 0.00 0.00 179.97 178.40 1weo n PRO 48 N -5.01 0.48 0.00 0.20 -0.04 -1.26 -1.94 135.00 127.44 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 0.16 0.20 0.00 5.03 -1.10 -3.26 116.97 118.00 1weo h TYR 50 Ca 0.00 -0.12 0.01 0.00 2.58 0.00 0.00 58.73 61.20 1weo h TYR 50 Cb 0.79 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.02 1weo h TYR 50 CO 0.00 1.26 -0.45 0.93 -1.32 0.00 0.00 178.16 178.59 1weo h GLU 51 N -0.78 -0.71 -0.90 1.82 5.08 -1.64 -1.89 114.58 115.57 1weo h GLU 51 Ca -0.16 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.45 1weo h GLU 51 Cb 1.30 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 30.60 1weo h GLU 51 CO -0.02 -0.47 0.43 -0.92 -1.00 0.00 0.00 179.01 177.03 1weo h TYR 52 N -0.74 0.73 -0.91 4.33 3.20 -1.77 0.39 116.97 122.21 1weo h TYR 52 Ca 0.00 0.04 0.23 0.00 3.14 0.00 0.00 58.73 62.14 1weo h TYR 52 Cb 0.73 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1weo h TYR 52 CO -0.35 0.03 0.62 1.49 -1.64 0.00 0.00 178.16 178.31 1weo h GLU 53 N 0.49 0.25 0.00 1.82 4.57 -1.38 0.19 114.58 120.52 1weo h GLU 53 Ca 0.54 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 58.50 1weo h GLU 53 Cb 0.97 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 1weo h GLU 53 CO -0.48 0.17 -1.62 0.54 -1.18 0.00 0.00 179.01 176.45 1weo n ARG 54 N -4.44 0.63 0.11 1.92 1.74 0.12 -1.49 116.66 115.25 1weo n ARG 54 Ca 0.19 0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 57.35 1weo n ARG 54 Cb 0.80 -1.76 -0.08 0.00 -1.02 0.00 0.00 32.46 30.41 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 0.00 -0.32 0.00 5.56 1.12 0.12 -3.42 114.38 117.44 1weo h ARG 55 Ca -0.23 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 1weo h ARG 55 Cb 1.73 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.76 1weo h ARG 55 CO 0.05 0.04 -0.70 0.39 -3.11 0.00 0.00 179.97 176.65 1weo n GLU 56 N -5.04 2.25 0.00 0.20 -0.58 0.39 -5.07 120.64 112.78 1weo n GLU 56 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1weo n GLU 56 Cb 0.26 -0.85 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 1weo n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1weo n GLY 57 N 1.97 -2.84 0.81 0.62 0.00 -0.51 -4.91 105.19 100.32 1weo n GLY 57 Ca 0.00 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.09 0.05 -3.46 2.61 -2.24 -1.01 -4.78 114.28 104.36 1weo n THR 58 Ca 0.00 -0.52 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 1weo n THR 58 Cb 0.00 1.37 0.07 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.12 -7.04 -3.72 -0.78 6.02 -0.56 -5.01 117.38 107.41 1weo n GLN 59 Ca 0.12 0.76 -0.14 0.00 -0.01 0.00 0.00 57.00 57.72 1weo n GLN 59 Cb 0.50 -5.57 -0.14 0.00 1.02 0.00 0.00 30.24 26.04 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 -3.46 0.07 0.00 1.08 0.01 -1.26 -4.00 114.94 107.39 1weo s ASN 60 Ca 0.44 0.35 -0.34 0.00 -0.71 0.00 0.00 52.86 52.60 1weo s ASN 60 Cb -0.19 0.25 -0.12 0.00 0.41 0.00 0.00 41.25 41.60 1weo s ASN 60 CO 0.66 -0.17 1.78 0.00 -1.51 0.00 0.00 177.10 177.85 1weo n PRO 62 N 5.51 0.49 -0.02 0.00 -0.04 -1.26 0.26 135.00 139.93 1weo n PRO 62 Ca 0.20 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.63 1weo n PRO 62 Cb 0.30 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.78 0.11 0.00 0.54 7.27 -1.26 -4.84 117.38 118.41 1weo n GLN 63 Ca 0.07 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1weo n GLN 63 Cb 0.03 -0.98 0.00 0.00 2.41 0.00 0.00 30.24 31.70 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 -1.40 -4.38 -4.10 0.00 4.76 0.72 -4.89 118.16 108.87 1weo n LYS 65 Ca 0.00 0.76 -0.25 0.00 -2.87 0.00 0.00 58.31 55.95 1weo n LYS 65 Cb 0.00 -5.53 -0.05 0.00 -1.84 0.00 0.00 35.03 27.61 1weo n LYS 65 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1weo s THR 66 N -3.45 4.43 0.24 -0.18 2.01 -1.26 -4.65 115.64 112.78 1weo s THR 66 Ca 0.18 -1.18 -0.31 0.00 0.31 0.00 0.00 61.69 60.70 1weo s THR 66 Cb -0.03 -3.29 -0.13 0.00 0.01 0.00 0.00 72.50 69.06 1weo s THR 66 CO 0.76 -0.16 1.52 -2.11 -0.69 0.00 0.00 174.62 173.94 1weo n ARG 67 N -0.52 2.31 -2.00 4.92 1.85 -1.26 -3.55 116.66 118.41 1weo n ARG 67 Ca -0.08 0.82 -0.29 0.00 -1.00 0.00 0.00 57.85 57.30 1weo n ARG 67 Cb 0.55 -2.55 0.20 0.00 -1.05 0.00 0.00 32.46 29.61 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 0.22 1.29 -0.13 2.89 1.51 -1.26 -5.00 117.35 116.88 1weo s TYR 68 Ca 0.69 0.17 -0.13 0.00 -1.01 0.00 0.00 57.07 56.79 1weo s TYR 68 Cb -0.60 -4.14 0.03 0.00 -0.11 0.00 0.00 41.96 37.14 1weo s TYR 68 CO 0.46 -2.75 0.36 -1.59 -1.11 0.00 0.00 175.55 170.91 1weo s LYS 69 N -5.89 0.44 -0.09 -0.62 0.00 -1.26 -5.12 119.74 107.21 1weo s LYS 69 Ca 0.76 0.45 -0.37 0.00 0.00 0.00 0.00 55.97 56.80 1weo s LYS 69 Cb -0.02 0.21 -0.15 0.00 0.00 0.00 0.00 37.83 37.87 1weo s LYS 69 CO 0.53 -0.06 1.65 -2.13 0.00 0.00 0.00 175.35 175.33 1weo n ARG 70 N 2.76 1.49 -4.10 1.78 0.63 -1.26 -4.96 116.66 112.99 1weo n ARG 70 Ca -0.14 0.54 -0.23 0.00 -0.92 0.00 0.00 57.85 57.11 1weo n ARG 70 Cb 0.57 -2.26 -0.06 0.00 0.45 0.00 0.00 32.46 31.16 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 2.51 3.28 0.52 6.15 1.43 -1.22 -5.00 118.68 126.34 1weo s LEU 71 Ca 0.91 -0.74 0.26 0.00 -1.03 0.00 0.00 54.13 53.52 1weo s LEU 71 Cb -0.91 -1.77 1.37 0.00 0.03 0.00 0.00 46.19 44.91 1weo s LEU 71 CO 0.54 -0.27 1.96 0.08 0.23 0.00 0.00 176.35 178.89 1weo h ARG 72 N 1.56 0.05 0.00 1.70 -0.00 -2.03 -3.00 114.38 112.67 1weo h ARG 72 Ca -0.44 -0.00 -0.41 0.00 -0.00 0.00 0.00 59.98 59.12 1weo h ARG 72 Cb 1.25 -0.01 -0.06 0.00 -0.00 0.00 0.00 29.97 31.15 1weo h ARG 72 CO 0.63 0.03 -2.27 0.41 -0.00 0.00 0.00 179.97 178.77 1weo n GLY 73 N -1.64 -0.53 3.60 0.08 0.00 -1.26 -4.88 105.19 100.55 1weo n GLY 73 Ca 0.12 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1weo n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weo s SER 74 N -7.32 5.64 0.72 1.61 1.04 -1.13 -4.95 113.70 109.29 1weo s SER 74 Ca -0.36 1.77 -0.13 0.00 0.48 0.00 0.00 55.95 57.71 1weo s SER 74 Cb 0.13 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.76 1weo s SER 74 CO 0.52 -1.83 1.10 -2.16 0.98 0.00 0.00 173.24 171.85 1weo s PRO 75 N 6.04 2.51 0.57 4.02 0.04 -1.26 -3.44 135.00 143.46 1weo s PRO 75 Ca 0.94 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 63.06 1weo s PRO 75 Cb -0.30 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1weo s PRO 75 CO 0.35 -1.46 0.91 -2.13 0.04 0.00 0.00 177.00 174.71 1weo n ARG 76 N -3.00 0.93 -4.10 4.56 0.00 -1.26 -4.96 116.66 108.83 1weo n ARG 76 Ca 0.10 0.35 -0.11 0.00 -0.00 0.00 0.00 57.85 58.20 1weo n ARG 76 Cb 0.52 -2.08 -0.08 0.00 0.00 0.00 0.00 32.46 30.82 1weo n ARG 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1weo s VAL 77 N -1.50 0.02 -0.36 5.15 -7.23 -1.26 -5.08 120.40 110.14 1weo s VAL 77 Ca 0.72 -1.74 -0.27 0.00 -1.81 0.00 0.00 61.98 58.88 1weo s VAL 77 Cb -0.44 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 1weo s VAL 77 CO 0.50 -0.09 2.32 -0.62 -0.31 0.00 0.00 175.10 176.90 1weo n GLU 78 N -0.27 1.47 0.00 4.82 -0.58 -1.26 -2.62 120.64 122.19 1weo n GLU 78 Ca -0.01 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1weo n GLU 78 Cb 0.64 -3.29 0.00 0.00 -0.57 0.00 0.00 31.44 28.22 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1weo n GLY 79 N 5.93 3.52 3.17 0.62 0.00 -1.26 -5.14 105.19 112.02 1weo n GLY 79 Ca 0.34 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1weo n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1weo n ASP 80 N 0.00 -3.73 -0.02 1.61 -0.08 -1.08 -4.81 116.55 108.44 1weo n ASP 80 Ca 0.00 0.14 0.11 0.00 -1.51 0.00 0.00 54.79 53.53 1weo n ASP 80 Cb 0.00 -0.88 0.61 0.00 2.34 0.00 0.00 41.12 43.20 1weo n ASP 80 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1weo n GLU 81 N 0.52 1.03 -1.91 -0.67 4.07 -1.26 -4.88 120.64 117.54 1weo n GLU 81 Ca 0.01 -0.04 -0.37 0.00 -0.06 0.00 0.00 57.16 56.70 1weo n GLU 81 Cb 0.60 -1.33 0.04 0.00 -0.06 0.00 0.00 31.44 30.69 1weo n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1weo s ASP 82 N -1.65 5.03 0.09 4.31 1.01 -1.26 -4.87 116.67 119.32 1weo s ASP 82 Ca 0.32 2.51 -0.36 0.00 0.71 0.00 0.00 52.55 55.72 1weo s ASP 82 Cb 0.15 -2.61 -0.16 0.00 1.01 0.00 0.00 42.92 41.30 1weo s ASP 82 CO 0.24 -1.71 1.38 1.21 0.21 0.00 0.00 175.17 176.50 1weo n GLU 83 N -1.59 1.28 -4.05 8.23 0.00 -1.26 -4.96 120.64 118.29 1weo n GLU 83 Ca 0.14 0.46 -0.13 0.00 0.00 0.00 0.00 57.16 57.63 1weo n GLU 83 Cb 0.48 -2.12 -0.04 0.00 0.00 0.00 0.00 31.44 29.76 1weo n GLU 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1weo s GLU 84 N 0.59 1.86 -0.47 5.31 0.41 -1.26 -5.10 118.70 120.04 1weo s GLU 84 Ca 0.84 -1.64 -0.45 0.00 -0.41 0.00 0.00 54.97 53.31 1weo s GLU 84 Cb -0.92 0.46 -0.19 0.00 -1.78 0.00 0.00 34.13 31.70 1weo s GLU 84 CO 0.46 -0.78 1.78 -3.47 -0.49 0.00 0.00 175.26 172.76 1weo n ASP 85 N -1.20 1.25 -0.12 -0.19 2.03 -1.26 -4.76 116.55 112.31 1weo n ASP 85 Ca -0.00 1.02 0.23 0.00 0.52 0.00 0.00 54.79 56.56 1weo n ASP 85 Cb 0.62 -0.93 0.67 0.00 -0.72 0.00 0.00 41.12 40.76 1weo n ASP 85 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1weo h ILE 86 N 5.62 0.65 -2.88 5.18 3.07 -2.02 -3.37 117.51 123.77 1weo h ILE 86 Ca -0.35 -0.02 -0.55 0.00 1.55 0.00 0.00 64.86 65.49 1weo h ILE 86 Cb 1.38 0.58 -0.06 0.00 -0.27 0.00 0.00 36.82 38.44 1weo h ILE 86 CO 1.01 0.01 1.11 -0.62 -1.05 0.00 0.00 178.15 178.61 1weo s ASP 87 N -5.88 6.13 0.26 2.16 -1.08 -1.26 -4.99 116.67 112.00 1weo s ASP 87 Ca -0.06 0.42 0.11 0.00 -0.52 0.00 0.00 52.55 52.50 1weo s ASP 87 Cb 0.21 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 39.08 1weo s ASP 87 CO 0.76 -1.68 -0.10 -0.44 0.52 0.00 0.00 175.17 174.22 1weo s SER 88 N 4.50 4.08 0.67 -0.34 0.01 -1.26 -5.12 113.70 116.24 1weo s SER 88 Ca 0.55 -0.80 -0.14 0.00 1.31 0.00 0.00 55.95 56.87 1weo s SER 88 Cb -0.12 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1weo s SER 88 CO 0.27 0.03 1.10 -0.83 0.41 0.00 0.00 173.24 174.22 1weo s GLY 89 N -3.46 2.05 0.00 3.44 0.00 -1.26 -4.91 107.32 103.18 1weo s GLY 89 Ca 0.30 0.46 0.15 0.00 0.00 0.00 0.00 44.72 45.63 1weo s GLY 89 CO 0.17 0.81 1.41 -1.55 0.00 0.00 0.00 173.10 173.93 1weo n PRO 90 N -2.57 0.19 -4.63 2.90 -0.04 -1.26 -4.67 135.00 124.92 1weo n PRO 90 Ca 0.10 0.16 -0.23 0.00 -0.04 0.00 0.00 63.50 63.49 1weo n PRO 90 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 1weo n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1weo s SER 91 N -2.61 1.83 -0.91 3.54 0.15 -1.26 -5.09 113.70 109.35 1weo s SER 91 Ca 0.13 -0.34 -0.14 0.00 0.70 0.00 0.00 55.95 56.31 1weo s SER 91 Cb 0.10 -0.18 0.22 0.00 -1.71 0.00 0.00 66.02 64.45 1weo s SER 91 CO 0.23 0.15 0.90 -0.44 1.20 0.00 0.00 173.24 175.28 1weo s SER 92 N -0.60 6.87 0.00 5.45 0.01 -1.26 -5.16 113.70 119.00 1weo s SER 92 Ca 0.05 -2.81 0.08 0.00 1.31 0.00 0.00 55.95 54.58 1weo s SER 92 Cb -0.07 -2.24 0.06 0.00 0.21 0.00 0.00 66.02 63.99 1weo s SER 92 CO 0.00 -0.58 0.74 0.61 0.41 0.00 0.00 173.24 174.42