#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 3.57 0.02 1.61 0.15 -1.26 -5.15 113.70 112.63 1weo s SER 2 Ca 0.00 -1.03 -0.07 0.00 0.70 0.00 0.00 55.95 55.55 1weo s SER 2 Cb 0.00 -0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1weo s SER 2 CO 0.00 0.03 0.12 -0.94 1.20 0.00 0.00 173.24 173.65 1weo s SER 3 N -3.51 0.09 0.00 5.45 1.04 -1.26 -5.16 113.70 110.35 1weo s SER 3 Ca 0.30 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1weo s SER 3 Cb -0.05 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1weo s SER 3 CO 0.15 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1weo n GLY 4 N 1.15 -1.36 3.19 7.32 0.00 -1.26 -5.15 105.19 109.08 1weo n GLY 4 Ca -0.21 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1weo n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1weo n SER 5 N 0.54 -4.16 -2.30 1.61 3.41 -1.26 -4.90 113.62 106.56 1weo n SER 5 Ca 0.00 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.65 1weo n SER 5 Cb 0.00 -0.94 0.03 0.00 -0.26 0.00 0.00 64.21 63.04 1weo n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1weo n SER 6 N 1.73 5.85 0.00 4.04 7.64 -1.26 -5.07 113.62 126.54 1weo n SER 6 Ca 0.03 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.15 1weo n SER 6 Cb 0.53 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1weo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1weo n GLY 7 N -0.69 2.09 2.84 0.23 0.00 -1.26 -4.72 105.19 103.68 1weo n GLY 7 Ca 0.49 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 11.34 -2.75 -3.75 1.61 -0.04 -1.26 -5.09 135.00 135.05 1weo n PRO 8 Ca 0.00 -1.41 -0.12 0.00 -0.04 0.00 0.00 63.50 61.92 1weo n PRO 8 Cb 0.00 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 1weo n PRO 8 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1weo s LYS 9 N -5.01 0.33 -0.50 0.54 2.20 -1.26 -5.11 119.74 110.93 1weo s LYS 9 Ca 0.57 0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 56.41 1weo s LYS 9 Cb -0.06 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.34 1weo s LYS 9 CO 0.44 -0.08 1.79 -1.25 -0.36 0.00 0.00 175.35 175.89 1weo s PRO 10 N 0.54 2.94 -0.21 4.03 0.04 -1.26 -4.97 135.00 136.11 1weo s PRO 10 Ca -0.03 0.89 -0.04 0.00 0.04 0.00 0.00 61.00 61.86 1weo s PRO 10 Cb -0.05 -4.29 -0.01 0.00 0.04 0.00 0.00 34.50 30.19 1weo s PRO 10 CO -0.03 -2.34 -0.04 -1.17 0.04 0.00 0.00 177.00 173.46 1weo s LEU 11 N 8.02 2.99 0.47 -3.56 2.96 -1.26 -5.09 118.68 123.22 1weo s LEU 11 Ca 0.70 -0.33 -0.24 0.00 -0.22 0.00 0.00 54.13 54.04 1weo s LEU 11 Cb -0.16 -1.76 -0.08 0.00 0.50 0.00 0.00 46.19 44.70 1weo s LEU 11 CO 0.26 0.02 1.33 1.17 -1.32 0.00 0.00 176.35 177.80 1weo n LYS 12 N 4.54 1.93 -1.10 1.98 3.00 -1.26 -4.81 118.16 122.44 1weo n LYS 12 Ca -0.18 0.69 -0.41 0.00 -0.00 0.00 0.00 58.31 58.41 1weo n LYS 12 Cb 0.51 -2.49 -0.05 0.00 0.00 0.00 0.00 35.03 33.00 1weo n LYS 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1weo n ASN 13 N -0.23 -0.31 -2.51 3.14 4.13 -1.26 -4.88 115.26 113.33 1weo n ASN 13 Ca 0.07 0.86 -0.21 0.00 1.68 0.00 0.00 54.58 56.99 1weo n ASN 13 Cb 0.42 -0.70 0.01 0.00 -1.54 0.00 0.00 39.78 37.97 1weo n ASN 13 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1weo n LEU 14 N 1.25 3.69 -0.32 3.41 0.00 -1.26 -4.88 117.00 118.89 1weo n LEU 14 Ca 0.14 -4.69 0.14 0.00 0.00 0.00 0.00 56.01 51.60 1weo n LEU 14 Cb 0.10 -0.17 0.33 0.00 0.00 0.00 0.00 43.42 43.68 1weo n LEU 14 CO 0.44 2.00 1.10 0.44 0.00 0.00 0.00 177.39 181.38 1weo h ASP 15 N 2.68 0.51 0.00 1.96 5.19 -2.01 -3.46 116.42 121.28 1weo h ASP 15 Ca 0.18 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1weo h ASP 15 Cb 1.05 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1weo h ASP 15 CO 0.72 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 177.53 1weo n GLY 16 N -1.33 2.93 0.58 2.75 0.00 -1.26 -4.89 105.19 103.98 1weo n GLY 16 Ca 0.23 -0.71 0.44 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.77 1.61 6.02 -1.26 -4.30 117.38 117.67 1weo n GLN 17 Ca 0.00 0.89 -0.42 0.00 -0.01 0.00 0.00 57.00 57.45 1weo n GLN 17 Cb 0.00 -2.05 -0.03 0.00 1.02 0.00 0.00 30.24 29.18 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 -4.51 2.01 0.55 1.08 0.40 -1.26 -3.41 117.98 112.85 1weo s PHE 18 Ca -0.04 -0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.08 1weo s PHE 18 Cb 0.22 -4.13 -0.09 0.00 0.51 0.00 0.00 43.02 39.53 1weo s PHE 18 CO 0.73 -4.72 0.59 0.00 0.70 0.00 0.00 175.22 172.51 1weo n GLU 20 N -0.08 0.60 -0.06 0.00 -0.58 -0.44 -2.94 120.64 117.13 1weo n GLU 20 Ca 0.12 0.14 -0.14 0.00 -0.42 0.00 0.00 57.16 56.86 1weo n GLU 20 Cb 0.46 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.76 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 -0.03 0.01 0.01 -3.67 2.04 -1.93 -3.32 117.51 110.62 1weo h ILE 21 Ca -0.54 0.00 -0.41 0.00 1.00 0.00 0.00 64.86 64.90 1weo h ILE 21 Cb 1.83 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1weo h ILE 21 CO -0.10 0.00 -2.39 0.00 0.00 0.00 0.00 178.15 175.66 1weo n GLY 23 N 1.70 3.01 3.03 0.00 0.00 -1.15 -5.09 105.19 106.69 1weo n GLY 23 Ca -0.48 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 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 -4.80 -4.62 1.61 2.03 -1.26 -3.93 116.55 105.57 1weo n ASP 24 Ca 0.00 0.13 -0.41 0.00 0.52 0.00 0.00 54.79 55.02 1weo n ASP 24 Cb 0.00 -0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 39.63 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1weo s GLN 25 N -2.14 4.06 -0.08 -0.67 0.74 -1.26 -0.49 119.66 119.82 1weo s GLN 25 Ca 0.40 0.63 -0.30 0.00 0.05 0.00 0.00 55.36 56.15 1weo s GLN 25 Cb -0.09 -3.68 -0.08 0.00 1.10 0.00 0.00 33.01 30.26 1weo s GLN 25 CO 0.76 -0.54 2.08 -0.89 -0.55 0.00 0.00 175.29 176.15 1weo n ILE 26 N 5.34 0.59 0.00 -2.34 5.41 -1.22 -4.84 119.36 122.30 1weo n ILE 26 Ca 0.02 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1weo n ILE 26 Cb 0.48 -2.39 0.00 0.00 -0.71 0.00 0.00 39.64 37.02 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 5.07 -1.30 3.73 7.39 0.00 -1.26 -4.86 105.19 113.95 1weo n GLY 27 Ca 0.24 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 3.15 0.81 0.99 1.43 -1.26 -3.93 118.68 119.87 1weo s LEU 28 Ca 0.00 -0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 52.01 1weo s LEU 28 Cb 0.00 -1.53 0.11 0.00 0.03 0.00 0.00 46.19 44.81 1weo s LEU 28 CO 0.00 -0.46 1.15 0.42 0.23 0.00 0.00 176.35 177.70 1weo s THR 29 N -2.54 2.09 0.39 5.49 -4.23 0.10 -4.77 115.64 112.17 1weo s THR 29 Ca 0.40 -0.14 0.17 0.00 -1.18 0.00 0.00 61.69 60.94 1weo s THR 29 Cb 0.02 -2.96 0.38 0.00 1.34 0.00 0.00 72.50 71.27 1weo s THR 29 CO 0.22 0.00 1.77 0.58 -0.54 0.00 0.00 174.62 176.66 1weo h VAL 30 N -1.04 0.54 0.11 2.29 2.07 -1.99 -1.16 116.25 117.06 1weo h VAL 30 Ca -0.44 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 66.76 1weo h VAL 30 Cb 1.29 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1weo h VAL 30 CO 0.54 0.08 -0.76 -0.33 0.02 0.00 0.00 177.57 177.12 1weo h GLU 31 N 0.43 0.24 0.00 1.57 5.08 -2.03 -3.48 114.58 116.38 1weo h GLU 31 Ca 0.59 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1weo h GLU 31 Cb 1.43 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1weo h GLU 31 CO -0.31 1.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.30 1weo n GLY 32 N 1.66 1.01 3.58 -3.84 0.00 -0.44 -5.14 105.19 102.01 1weo n GLY 32 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 1.93 0.15 1.61 1.11 -1.26 -4.14 116.67 116.07 1weo s ASP 33 Ca 0.00 1.89 -0.31 0.00 0.18 0.00 0.00 52.55 54.31 1weo s ASP 33 Cb 0.00 -2.46 -0.09 0.00 1.07 0.00 0.00 42.92 41.44 1weo s ASP 33 CO 0.00 -3.67 1.42 -0.22 1.18 0.00 0.00 175.17 173.88 1weo s LEU 34 N -6.93 4.38 -0.99 1.23 1.98 -1.26 0.01 118.68 117.10 1weo s LEU 34 Ca 0.68 2.44 -0.24 0.00 -2.89 0.00 0.00 54.13 54.12 1weo s LEU 34 Cb -0.24 -3.60 -0.09 0.00 0.66 0.00 0.00 46.19 42.92 1weo s LEU 34 CO 0.61 -0.68 2.03 0.12 -1.89 0.00 0.00 176.35 176.55 1weo s PHE 35 N 0.83 1.69 -1.15 5.38 5.36 -1.25 -4.78 117.98 124.05 1weo s PHE 35 Ca 0.64 0.97 -0.22 0.00 -0.96 0.00 0.00 56.93 57.36 1weo s PHE 35 Cb -0.39 -3.86 -0.01 0.00 -0.34 0.00 0.00 43.02 38.42 1weo s PHE 35 CO 0.33 -1.44 1.81 0.08 -1.46 0.00 0.00 175.22 174.54 1weo s VAL 36 N 11.84 3.76 0.13 3.12 1.01 -1.26 -4.81 120.40 134.19 1weo s VAL 36 Ca 0.74 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.35 1weo s VAL 36 Cb -0.06 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1weo s VAL 36 CO 0.07 -1.44 1.63 0.00 0.00 0.00 0.00 175.10 175.36 1weo h ALA 37 N 9.30 -0.28 -4.32 5.51 0.00 -1.82 -3.42 119.26 124.23 1weo h ALA 37 Ca 0.27 0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.60 1weo h ALA 37 Cb 0.94 0.47 -0.28 0.00 0.00 0.00 0.00 17.79 18.92 1weo h ALA 37 CO 1.33 -0.73 -0.85 0.00 0.00 0.00 0.00 179.25 178.99 1weo n ASN 39 N 2.34 3.38 -0.18 0.00 2.85 -1.26 -3.70 115.26 118.69 1weo n ASN 39 Ca -0.16 -0.04 -0.12 0.00 -0.11 0.00 0.00 54.58 54.15 1weo n ASN 39 Cb 0.53 -0.12 -0.08 0.00 1.24 0.00 0.00 39.78 41.35 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 -0.30 0.00 1.20 4.22 -1.99 -3.26 114.58 114.44 1weo h GLU 40 Ca -0.18 0.02 -0.35 0.00 0.08 0.00 0.00 59.36 58.93 1weo h GLU 40 Cb 1.27 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 1weo h GLU 40 CO -0.03 -0.20 -2.34 0.00 -2.18 0.00 0.00 179.01 174.26 1weo n GLY 42 N 2.28 1.14 3.68 0.00 0.00 -1.23 -5.06 105.19 106.00 1weo n GLY 42 Ca -0.40 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.08 3.16 -0.44 1.61 5.36 -1.26 -4.95 117.98 119.38 1weo s PHE 43 Ca 0.00 1.24 -0.28 0.00 -0.96 0.00 0.00 56.93 56.93 1weo s PHE 43 Cb 0.00 -3.40 -0.01 0.00 -0.34 0.00 0.00 43.02 39.27 1weo s PHE 43 CO 0.00 -1.19 1.75 -1.25 -1.46 0.00 0.00 175.22 173.07 1weo s PRO 44 N 2.57 3.14 -0.13 10.12 0.04 -1.26 -3.89 135.00 145.58 1weo s PRO 44 Ca 0.54 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 1weo s PRO 44 Cb -0.22 -4.23 0.04 0.00 0.04 0.00 0.00 34.50 30.13 1weo s PRO 44 CO 0.18 -2.11 0.03 0.00 0.04 0.00 0.00 177.00 175.14 1weo s ALA 45 N 7.38 0.78 1.23 8.56 0.00 -1.26 -1.33 121.76 137.12 1weo s ALA 45 Ca 0.72 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1weo s ALA 45 Cb -0.18 -0.94 0.25 0.00 0.00 0.00 0.00 23.12 22.25 1weo s ALA 45 CO 0.29 -0.82 0.57 0.00 0.00 0.00 0.00 175.76 175.81 1weo h ARG 47 N 0.00 -0.24 -0.35 0.00 2.43 -1.96 -2.21 114.38 112.06 1weo h ARG 47 Ca -0.26 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1weo h ARG 47 Cb 0.88 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1weo h ARG 47 CO 0.16 0.12 0.00 -0.35 -1.51 0.00 0.00 179.97 178.38 1weo n PRO 48 N -5.03 0.49 0.00 0.20 -0.04 -1.26 -2.18 135.00 127.18 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 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.82 0.08 0.00 5.03 -1.12 -3.19 116.97 118.60 1weo h TYR 50 Ca 0.00 -0.60 0.01 0.00 2.58 0.00 0.00 58.73 60.72 1weo h TYR 50 Cb 0.74 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 1weo h TYR 50 CO 0.00 1.47 -0.12 0.93 -1.32 0.00 0.00 178.16 179.11 1weo h GLU 51 N -0.06 -0.24 -0.32 1.82 5.08 -1.70 -2.84 114.58 116.32 1weo h GLU 51 Ca -0.21 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1weo h GLU 51 Cb 1.97 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 31.21 1weo h GLU 51 CO 0.23 -0.16 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.06 1weo h TYR 52 N -0.25 -0.21 -0.69 4.33 3.20 -1.80 0.99 116.97 122.54 1weo h TYR 52 Ca 0.02 0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.12 1weo h TYR 52 Cb 0.26 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1weo h TYR 52 CO -0.14 -0.15 0.81 1.49 -1.64 0.00 0.00 178.16 178.52 1weo h GLU 53 N -0.02 0.00 0.00 1.82 4.57 -1.48 1.02 114.58 120.49 1weo h GLU 53 Ca 0.15 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.08 1weo h GLU 53 Cb 0.26 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1weo h GLU 53 CO -0.34 0.00 -1.92 0.54 -1.18 0.00 0.00 179.01 176.11 1weo n ARG 54 N -3.46 0.65 0.00 1.92 1.74 0.22 0.11 116.66 117.84 1weo n ARG 54 Ca 0.15 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1weo n ARG 54 Cb 1.04 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 1weo n ARG 54 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1weo n ARG 55 N -2.82 0.00 -0.35 5.56 3.00 0.33 -4.50 116.66 117.89 1weo n ARG 55 Ca -0.20 0.18 0.10 0.00 -0.00 0.00 0.00 57.85 57.93 1weo n ARG 55 Cb 0.99 -0.64 0.28 0.00 0.00 0.00 0.00 32.46 33.09 1weo n ARG 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1weo n GLU 56 N -1.26 2.57 -0.22 -0.14 -0.58 0.09 -4.93 120.64 116.17 1weo n GLU 56 Ca 0.00 -2.24 0.00 0.00 -0.42 0.00 0.00 57.16 54.50 1weo n GLU 56 Cb 0.00 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 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 1.40 2.50 0.58 0.62 0.00 -0.40 -4.93 105.19 104.97 1weo n GLY 57 Ca 0.21 -2.06 0.05 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.17 1.16 -3.24 2.61 -2.24 -0.78 -4.76 114.28 106.86 1weo n THR 58 Ca 0.00 -1.12 -0.23 0.00 -2.27 0.00 0.00 64.05 60.42 1weo n THR 58 Cb 0.00 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.24 -4.69 -3.85 -0.78 6.02 0.12 -4.97 117.38 109.48 1weo n GLN 59 Ca 0.11 0.74 -0.25 0.00 -0.01 0.00 0.00 57.00 57.60 1weo n GLN 59 Cb 0.46 -5.57 -0.17 0.00 1.02 0.00 0.00 30.24 25.98 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 -2.80 1.83 0.05 1.08 0.01 -1.26 -3.07 114.94 110.79 1weo s ASN 60 Ca 0.38 -0.18 -0.36 0.00 -0.71 0.00 0.00 52.86 51.99 1weo s ASN 60 Cb -0.18 -0.62 -0.15 0.00 0.41 0.00 0.00 41.25 40.71 1weo s ASN 60 CO 0.47 -0.16 1.52 0.00 -1.51 0.00 0.00 177.10 177.43 1weo n PRO 62 N 3.58 0.49 -0.02 0.00 -0.04 -1.26 0.25 135.00 138.00 1weo n PRO 62 Ca 0.19 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.62 1weo n PRO 62 Cb 0.23 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.81 0.10 0.00 0.54 7.27 -1.26 -4.84 117.38 118.38 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 -0.90 0.00 0.00 2.41 0.00 0.00 30.24 31.78 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 -1.22 -3.56 -4.36 0.00 4.76 0.71 -4.85 118.16 109.63 1weo n LYS 65 Ca 0.00 0.66 -0.34 0.00 -2.87 0.00 0.00 58.31 55.75 1weo n LYS 65 Cb 0.00 -5.13 -0.09 0.00 -1.84 0.00 0.00 35.03 27.97 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 -3.53 4.25 0.10 -0.18 2.01 -1.26 -4.57 115.64 112.45 1weo s THR 66 Ca 0.22 -0.34 -0.35 0.00 0.31 0.00 0.00 61.69 61.53 1weo s THR 66 Cb -0.05 -2.81 -0.18 0.00 0.01 0.00 0.00 72.50 69.47 1weo s THR 66 CO 0.80 0.55 0.96 -2.11 -0.69 0.00 0.00 174.62 174.13 1weo n ARG 67 N 1.96 0.34 -1.79 4.92 1.85 -1.26 -3.64 116.66 119.04 1weo n ARG 67 Ca -0.18 0.12 -0.29 0.00 -1.00 0.00 0.00 57.85 56.50 1weo n ARG 67 Cb 0.53 -1.49 0.12 0.00 -1.05 0.00 0.00 32.46 30.57 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 -0.29 2.51 -0.00 2.89 1.51 -1.18 -4.98 117.35 117.81 1weo s TYR 68 Ca 0.79 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 1weo s TYR 68 Cb -1.06 -3.59 0.00 0.00 -0.11 0.00 0.00 41.96 37.20 1weo s TYR 68 CO 0.55 -2.16 -0.00 -1.59 -1.11 0.00 0.00 175.55 171.24 1weo s LYS 69 N -5.56 0.04 0.00 -0.62 0.00 -1.26 -5.04 119.74 107.29 1weo s LYS 69 Ca 0.65 -0.01 -0.35 0.00 0.00 0.00 0.00 55.97 56.26 1weo s LYS 69 Cb -0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 37.83 37.55 1weo s LYS 69 CO 0.51 0.00 1.71 -2.13 0.00 0.00 0.00 175.35 175.45 1weo n ARG 70 N 3.11 1.99 -3.09 1.78 0.63 -1.26 -4.97 116.66 114.85 1weo n ARG 70 Ca -0.13 0.73 -0.14 0.00 -0.92 0.00 0.00 57.85 57.38 1weo n ARG 70 Cb 0.59 -2.51 -0.02 0.00 0.45 0.00 0.00 32.46 30.97 1weo n ARG 70 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1weo n LEU 71 N 5.00 0.00 0.23 6.15 4.77 -1.22 -5.06 117.00 126.87 1weo n LEU 71 Ca 0.21 -1.44 -0.17 0.00 -0.03 0.00 0.00 56.01 54.58 1weo n LEU 71 Cb 0.27 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1weo n LEU 71 CO 0.69 -0.25 0.52 0.03 -1.33 0.00 0.00 177.39 177.05 1weo h ARG 72 N 0.00 -0.87 0.00 3.23 2.47 -2.02 -3.38 114.38 113.81 1weo h ARG 72 Ca -0.19 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1weo h ARG 72 Cb 0.59 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1weo h ARG 72 CO 0.31 -0.58 0.00 0.41 0.56 0.00 0.00 179.97 180.67 1weo n GLY 73 N -1.52 0.50 2.56 0.04 0.00 -1.26 -4.77 105.19 100.75 1weo n GLY 73 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1weo n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1weo n SER 74 N -1.30 0.13 -4.77 1.61 3.41 -1.26 -4.83 113.62 106.61 1weo n SER 74 Ca 0.00 0.10 -0.33 0.00 -0.26 0.00 0.00 58.87 58.38 1weo n SER 74 Cb 0.00 -0.66 0.05 0.00 -0.26 0.00 0.00 64.21 63.35 1weo n SER 74 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1weo s PRO 75 N 6.49 2.73 0.55 4.33 0.04 -1.26 -3.41 135.00 144.47 1weo s PRO 75 Ca 0.99 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 63.22 1weo s PRO 75 Cb -0.90 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 31.59 1weo s PRO 75 CO 0.36 -1.30 0.34 -2.13 0.04 0.00 0.00 177.00 174.31 1weo n ARG 76 N -2.56 0.36 -4.15 4.56 0.00 -1.26 -4.98 116.66 108.64 1weo n ARG 76 Ca 0.10 0.14 -0.16 0.00 -0.00 0.00 0.00 57.85 57.94 1weo n ARG 76 Cb 0.52 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.43 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 -1.80 0.00 -0.06 5.15 -7.23 -1.26 -5.08 120.40 110.13 1weo s VAL 77 Ca 0.65 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.80 1weo s VAL 77 Cb -0.46 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 1weo s VAL 77 CO 0.58 0.00 2.07 -0.62 -0.31 0.00 0.00 175.10 176.82 1weo n GLU 78 N -0.55 2.53 0.00 4.82 4.71 -1.26 -2.57 120.64 128.32 1weo n GLU 78 Ca 0.03 0.86 0.00 0.00 -0.01 0.00 0.00 57.16 58.04 1weo n GLU 78 Cb 0.62 -3.09 0.00 0.00 -1.01 0.00 0.00 31.44 27.96 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 5.01 3.74 1.70 0.62 0.00 -1.26 -5.08 105.19 109.92 1weo n GLY 79 Ca 0.24 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1weo n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1weo n ASP 80 N 0.00 -2.57 -2.07 1.61 8.00 -1.06 -3.15 116.55 117.30 1weo n ASP 80 Ca 0.00 -0.34 -0.04 0.00 0.71 0.00 0.00 54.79 55.12 1weo n ASP 80 Cb 0.00 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.62 1weo n ASP 80 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1weo n GLU 81 N -2.32 -2.26 -2.72 -1.24 2.13 -1.26 -4.79 120.64 108.19 1weo n GLU 81 Ca 0.05 0.20 -0.06 0.00 0.66 0.00 0.00 57.16 58.01 1weo n GLU 81 Cb 0.23 -4.60 0.01 0.00 0.27 0.00 0.00 31.44 27.35 1weo n GLU 81 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1weo n ASP 82 N -0.95 -1.19 -3.54 4.31 2.03 -1.19 -5.12 116.55 110.89 1weo n ASP 82 Ca -0.04 -1.98 -0.28 0.00 0.52 0.00 0.00 54.79 53.00 1weo n ASP 82 Cb 0.41 2.02 -0.11 0.00 -0.72 0.00 0.00 41.12 42.72 1weo n ASP 82 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1weo s GLU 83 N -2.17 1.15 -0.71 -0.67 2.12 -1.26 -5.03 118.70 112.13 1weo s GLU 83 Ca 0.12 -2.14 0.05 0.00 0.36 0.00 0.00 54.97 53.36 1weo s GLU 83 Cb -0.02 -1.88 0.19 0.00 0.26 0.00 0.00 34.13 32.68 1weo s GLU 83 CO 0.08 -1.30 0.57 0.39 -0.54 0.00 0.00 175.26 174.47 1weo n GLU 84 N 3.06 2.05 -3.90 4.30 1.02 -1.26 -5.00 120.64 120.91 1weo n GLU 84 Ca 0.21 -4.54 -0.30 0.00 -0.02 0.00 0.00 57.16 52.51 1weo n GLU 84 Cb 0.41 -2.29 -0.14 0.00 -0.02 0.00 0.00 31.44 29.40 1weo n GLU 84 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1weo s ASP 85 N -1.63 4.23 1.06 1.62 -1.08 -1.26 -5.11 116.67 114.50 1weo s ASP 85 Ca 0.28 -2.74 -0.17 0.00 -0.52 0.00 0.00 52.55 49.40 1weo s ASP 85 Cb -0.00 -1.48 0.24 0.00 -1.46 0.00 0.00 42.92 40.22 1weo s ASP 85 CO -0.13 -0.27 1.24 2.30 0.52 0.00 0.00 175.17 178.83 1weo n ILE 86 N 3.45 0.00 0.10 4.11 -5.35 -1.26 -5.03 119.36 115.38 1weo n ILE 86 Ca 0.05 -0.84 -0.04 0.00 -0.27 0.00 0.00 62.75 61.65 1weo n ILE 86 Cb 0.34 -1.45 -0.02 0.00 -1.74 0.00 0.00 39.64 36.77 1weo n ILE 86 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1weo h ASP 87 N -1.94 -0.23 -4.17 7.28 3.04 -2.04 -3.45 116.42 114.91 1weo h ASP 87 Ca -0.42 0.01 -0.51 0.00 -3.24 0.00 0.00 57.03 52.87 1weo h ASP 87 Cb 1.17 0.06 0.11 0.00 -1.04 0.00 0.00 39.33 39.63 1weo h ASP 87 CO 0.29 -0.08 0.39 -0.94 -2.04 0.00 0.00 179.24 176.86 1weo s SER 88 N -3.31 5.00 0.00 4.15 1.04 -1.26 -5.04 113.70 114.28 1weo s SER 88 Ca -0.04 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.52 1weo s SER 88 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1weo s SER 88 CO 0.12 -1.71 0.00 0.61 0.98 0.00 0.00 173.24 173.24 1weo n GLY 89 N -0.16 1.57 3.76 7.32 0.00 -1.26 -4.94 105.19 111.49 1weo n GLY 89 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 0.03 4.46 0.24 1.61 0.04 -1.26 -5.03 135.00 135.09 1weo s PRO 90 Ca 0.00 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1weo s PRO 90 Cb 0.00 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.43 1weo s PRO 90 CO 0.00 -0.04 0.56 -1.54 0.04 0.00 0.00 177.00 176.02 1weo s SER 91 N -0.59 -0.18 -0.37 6.66 1.04 -1.26 -5.12 113.70 113.88 1weo s SER 91 Ca 0.48 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.91 1weo s SER 91 Cb -0.37 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1weo s SER 91 CO 0.48 -1.17 1.37 -0.55 0.98 0.00 0.00 173.24 174.35 1weo s SER 92 N -2.95 6.46 0.00 7.02 0.15 -1.26 -5.26 113.70 117.86 1weo s SER 92 Ca 0.15 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1weo s SER 92 Cb -0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1weo s SER 92 CO 0.05 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.80