#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 -0.82 0.12 1.61 1.04 -1.26 -5.17 113.70 109.23 1weo s SER 2 Ca 0.00 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 57.67 1weo s SER 2 Cb 0.00 1.28 0.02 0.00 0.10 0.00 0.00 66.02 67.41 1weo s SER 2 CO 0.00 -0.23 0.33 -0.94 0.98 0.00 0.00 173.24 173.38 1weo s SER 3 N 1.31 -0.09 0.03 7.02 1.04 -1.26 -5.18 113.70 116.57 1weo s SER 3 Ca -0.08 -0.51 -0.24 0.00 0.48 0.00 0.00 55.95 55.61 1weo s SER 3 Cb -0.05 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1weo s SER 3 CO -0.14 -0.84 0.54 -0.83 0.98 0.00 0.00 173.24 172.95 1weo s GLY 4 N -2.85 -0.45 0.26 7.32 0.00 -1.26 -5.18 107.32 105.16 1weo s GLY 4 Ca 0.06 0.73 -0.17 0.00 0.00 0.00 0.00 44.72 45.33 1weo s GLY 4 CO -0.09 0.42 0.59 -0.56 0.00 0.00 0.00 173.10 173.46 1weo s SER 5 N -1.80 -0.19 0.00 1.64 0.01 -1.26 -5.19 113.70 106.92 1weo s SER 5 Ca -0.07 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 56.16 1weo s SER 5 Cb -0.01 0.65 0.11 0.00 0.21 0.00 0.00 66.02 66.99 1weo s SER 5 CO 0.01 -1.23 1.26 -0.55 0.41 0.00 0.00 173.24 173.14 1weo s SER 6 N -2.96 -0.06 0.00 2.44 0.15 -1.26 -5.19 113.70 106.82 1weo s SER 6 Ca 0.16 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1weo s SER 6 Cb -0.03 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1weo s SER 6 CO 0.07 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1weo n GLY 7 N -0.53 4.23 3.58 9.45 0.00 -1.26 -5.06 105.19 115.60 1weo n GLY 7 Ca -0.07 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 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 1.39 2.49 -0.17 1.61 0.04 -1.26 -4.85 135.00 134.25 1weo s PRO 8 Ca 0.00 -1.16 -0.10 0.00 0.04 0.00 0.00 61.00 59.77 1weo s PRO 8 Cb 0.00 -5.24 0.06 0.00 0.04 0.00 0.00 34.50 29.36 1weo s PRO 8 CO 0.00 -3.99 0.43 0.15 0.04 0.00 0.00 177.00 173.62 1weo s LYS 9 N 6.48 0.42 0.45 4.56 -0.14 -1.26 -5.16 119.74 125.10 1weo s LYS 9 Ca 0.68 0.78 -0.23 0.00 -1.36 0.00 0.00 55.97 55.84 1weo s LYS 9 Cb -0.01 0.02 -0.07 0.00 -1.68 0.00 0.00 37.83 36.09 1weo s LYS 9 CO 0.13 -0.14 1.17 -1.25 -0.76 0.00 0.00 175.35 174.50 1weo s PRO 10 N 1.24 3.79 -0.13 -1.68 0.04 -1.26 -5.03 135.00 131.97 1weo s PRO 10 Ca -0.08 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 1weo s PRO 10 Cb -0.07 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1weo s PRO 10 CO -0.11 -0.53 0.16 -1.17 0.04 0.00 0.00 177.00 175.39 1weo s LEU 11 N -2.96 4.36 0.03 -3.56 2.96 -1.26 -5.10 118.68 113.15 1weo s LEU 11 Ca 0.63 0.46 0.06 0.00 -0.22 0.00 0.00 54.13 55.06 1weo s LEU 11 Cb -0.29 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 1weo s LEU 11 CO 0.35 0.36 -0.18 -0.54 -1.32 0.00 0.00 176.35 175.02 1weo s LYS 12 N -0.75 1.24 -0.65 1.98 3.01 -1.26 -5.10 119.74 118.21 1weo s LYS 12 Ca 0.14 -0.81 -0.16 0.00 -1.01 0.00 0.00 55.97 54.14 1weo s LYS 12 Cb -0.12 -1.29 0.16 0.00 -1.01 0.00 0.00 37.83 35.57 1weo s LYS 12 CO 0.04 0.33 0.61 0.54 0.51 0.00 0.00 175.35 177.38 1weo s ASN 13 N -1.00 6.39 -0.07 2.83 4.22 -1.26 -4.84 114.94 121.22 1weo s ASN 13 Ca 0.05 -2.07 -0.10 0.00 -2.14 0.00 0.00 52.86 48.60 1weo s ASN 13 Cb -0.08 -2.22 -0.04 0.00 1.28 0.00 0.00 41.25 40.19 1weo s ASN 13 CO 0.01 -0.79 -0.20 -0.11 -2.04 0.00 0.00 177.10 173.97 1weo n LEU 14 N 4.92 1.55 -0.25 3.54 7.94 -1.26 -4.69 117.00 128.75 1weo n LEU 14 Ca -0.04 0.24 0.01 0.00 -1.11 0.00 0.00 56.01 55.12 1weo n LEU 14 Cb 0.43 -0.56 0.14 0.00 0.53 0.00 0.00 43.42 43.95 1weo n LEU 14 CO 0.47 -0.41 1.08 -0.78 -1.11 0.00 0.00 177.39 176.64 1weo h ASP 15 N -0.57 0.50 0.00 1.96 1.82 -2.01 -3.47 116.42 114.65 1weo h ASP 15 Ca -0.04 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1weo h ASP 15 Cb 0.64 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1weo h ASP 15 CO -0.02 0.29 0.00 0.61 -1.61 0.00 0.00 179.24 178.51 1weo n GLY 16 N -1.30 3.10 0.62 -0.78 0.00 -1.26 -4.89 105.19 100.67 1weo n GLY 16 Ca 0.11 -0.96 0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.65 1.61 1.13 -1.26 -4.33 117.38 112.88 1weo n GLN 17 Ca 0.00 1.00 -0.43 0.00 -1.94 0.00 0.00 57.00 55.62 1weo n GLN 17 Cb 0.00 -2.35 -0.03 0.00 0.11 0.00 0.00 30.24 27.96 1weo n GLN 17 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1weo n PHE 18 N -3.60 2.39 -1.35 1.08 3.01 -1.26 -3.54 117.46 114.19 1weo n PHE 18 Ca 0.36 -0.28 -0.39 0.00 1.01 0.00 0.00 57.45 58.15 1weo n PHE 18 Cb 1.77 -2.77 0.02 0.00 -0.01 0.00 0.00 39.48 38.49 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 0.84 0.62 -0.05 0.00 -0.58 -0.12 -3.13 120.64 118.23 1weo n GLU 20 Ca 0.10 0.14 -0.09 0.00 -0.42 0.00 0.00 57.16 56.90 1weo n GLU 20 Cb 0.46 -1.49 -0.06 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 -0.01 0.00 0.02 -3.67 2.04 -1.92 -3.33 117.51 110.65 1weo h ILE 21 Ca -0.55 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 64.95 1weo h ILE 21 Cb 1.85 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1weo h ILE 21 CO -0.09 0.00 -2.00 0.00 0.00 0.00 0.00 178.15 176.06 1weo n GLY 23 N 1.59 2.99 3.04 0.00 0.00 -1.18 -5.09 105.19 106.54 1weo n GLY 23 Ca -0.42 -0.74 -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 -4.56 -4.62 1.61 2.03 -1.26 -3.96 116.55 105.79 1weo n ASP 24 Ca 0.00 0.12 -0.41 0.00 0.52 0.00 0.00 54.79 55.01 1weo n ASP 24 Cb 0.00 -0.72 -0.06 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 -2.19 4.08 -0.37 -0.67 0.74 -1.26 -0.66 119.66 119.33 1weo s GLN 25 Ca 0.41 0.62 -0.29 0.00 0.05 0.00 0.00 55.36 56.15 1weo s GLN 25 Cb -0.08 -3.67 -0.08 0.00 1.10 0.00 0.00 33.01 30.28 1weo s GLN 25 CO 0.75 -0.51 2.30 -0.89 -0.55 0.00 0.00 175.29 176.40 1weo n ILE 26 N 5.30 0.16 0.00 -2.34 5.41 -1.23 -4.84 119.36 121.82 1weo n ILE 26 Ca 0.02 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.28 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 6.07 -2.88 3.83 7.39 0.00 -1.26 -4.77 105.19 113.56 1weo n GLY 27 Ca 0.37 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 3.36 0.70 0.99 1.43 -1.26 -3.76 118.68 120.14 1weo s LEU 28 Ca 0.00 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.25 1weo s LEU 28 Cb 0.00 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.35 1weo s LEU 28 CO 0.00 -0.56 1.02 0.42 0.23 0.00 0.00 176.35 177.47 1weo s THR 29 N -2.47 2.42 0.31 5.49 -4.23 0.10 -4.72 115.64 112.55 1weo s THR 29 Ca 0.45 -0.19 0.08 0.00 -1.18 0.00 0.00 61.69 60.85 1weo s THR 29 Cb -0.02 -3.06 0.33 0.00 1.34 0.00 0.00 72.50 71.09 1weo s THR 29 CO 0.26 -0.07 1.64 0.58 -0.54 0.00 0.00 174.62 176.49 1weo h VAL 30 N -0.61 0.26 0.08 2.29 2.07 -2.00 -1.21 116.25 117.13 1weo h VAL 30 Ca -0.45 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1weo h VAL 30 Cb 1.31 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1weo h VAL 30 CO 0.61 0.04 -0.04 -0.33 0.02 0.00 0.00 177.57 177.87 1weo h GLU 31 N 0.22 -0.10 0.00 1.57 5.08 -2.04 -3.48 114.58 115.82 1weo h GLU 31 Ca 0.64 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1weo h GLU 31 Cb 1.41 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1weo h GLU 31 CO -0.67 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 178.20 1weo n GLY 32 N 0.95 0.69 3.55 -3.84 0.00 -0.46 -5.15 105.19 100.94 1weo n GLY 32 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.75 -4.71 1.61 8.00 -1.26 -4.09 116.55 115.35 1weo n ASP 33 Ca 0.00 0.29 -0.42 0.00 0.71 0.00 0.00 54.79 55.37 1weo n ASP 33 Cb 0.00 -1.35 -0.03 0.00 -0.02 0.00 0.00 41.12 39.72 1weo n ASP 33 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1weo s LEU 34 N -4.89 4.36 -0.47 0.64 1.98 -1.26 0.03 118.68 119.06 1weo s LEU 34 Ca 0.64 2.38 -0.27 0.00 -2.89 0.00 0.00 54.13 54.00 1weo s LEU 34 Cb -0.22 -3.58 -0.05 0.00 0.66 0.00 0.00 46.19 43.00 1weo s LEU 34 CO 0.62 -0.75 2.23 0.12 -1.89 0.00 0.00 176.35 176.68 1weo s PHE 35 N 1.66 1.26 -1.20 5.38 5.36 -1.25 -4.79 117.98 124.40 1weo s PHE 35 Ca 0.68 1.21 -0.13 0.00 -0.96 0.00 0.00 56.93 57.73 1weo s PHE 35 Cb -0.38 -3.77 0.19 0.00 -0.34 0.00 0.00 43.02 38.72 1weo s PHE 35 CO 0.30 -2.70 1.40 0.28 -1.46 0.00 0.00 175.22 173.05 1weo n VAL 36 N 7.76 4.30 -0.09 3.12 0.31 -1.26 -4.87 118.33 127.60 1weo n VAL 36 Ca 0.31 -4.82 -0.10 0.00 -0.01 0.00 0.00 64.34 59.72 1weo n VAL 36 Cb 0.53 -2.48 -0.05 0.00 -0.91 0.00 0.00 33.84 30.93 1weo n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1weo h ALA 37 N 7.03 -0.46 -4.50 3.52 0.00 -1.83 -3.41 119.26 119.61 1weo h ALA 37 Ca 0.30 0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.61 1weo h ALA 37 Cb 0.87 0.85 -0.30 0.00 0.00 0.00 0.00 17.79 19.21 1weo h ALA 37 CO 1.22 -0.87 -0.87 0.00 0.00 0.00 0.00 179.25 178.73 1weo n ASN 39 N 2.52 3.32 -0.18 0.00 2.85 -1.26 -3.68 115.26 118.83 1weo n ASN 39 Ca -0.16 -0.04 -0.13 0.00 -0.11 0.00 0.00 54.58 54.14 1weo n ASN 39 Cb 0.52 -0.07 -0.09 0.00 1.24 0.00 0.00 39.78 41.37 1weo n ASN 39 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1weo h GLU 40 N 0.00 -0.33 0.00 1.20 4.39 -1.98 -3.27 114.58 114.59 1weo h GLU 40 Ca -0.20 0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.18 1weo h GLU 40 Cb 1.31 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.97 1weo h GLU 40 CO -0.03 -0.22 -2.31 0.00 -1.16 0.00 0.00 179.01 175.29 1weo n GLY 42 N 2.27 1.43 3.65 0.00 0.00 -1.24 -5.06 105.19 106.24 1weo n GLY 42 Ca -0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 2.55 -0.51 1.61 5.36 -1.26 -4.94 117.98 118.80 1weo s PHE 43 Ca 0.00 0.78 -0.27 0.00 -0.96 0.00 0.00 56.93 56.47 1weo s PHE 43 Cb 0.00 -3.74 -0.02 0.00 -0.34 0.00 0.00 43.02 38.92 1weo s PHE 43 CO 0.00 -2.22 1.79 -1.25 -1.46 0.00 0.00 175.22 172.08 1weo s PRO 44 N 3.94 2.94 -0.20 10.12 0.04 -1.26 -3.82 135.00 146.76 1weo s PRO 44 Ca 0.61 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 1weo s PRO 44 Cb -0.23 -4.29 0.07 0.00 0.04 0.00 0.00 34.50 30.09 1weo s PRO 44 CO 0.21 -2.35 0.06 0.00 0.04 0.00 0.00 177.00 174.97 1weo s ALA 45 N 8.03 0.81 1.02 8.56 0.00 -1.26 -0.94 121.76 137.98 1weo s ALA 45 Ca 0.70 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 1weo s ALA 45 Cb -0.16 -1.17 0.20 0.00 0.00 0.00 0.00 23.12 21.99 1weo s ALA 45 CO 0.26 -1.24 0.45 0.00 0.00 0.00 0.00 175.76 175.23 1weo h ARG 47 N 0.00 -0.19 -0.36 0.00 2.43 -1.97 -1.96 114.38 112.33 1weo h ARG 47 Ca -0.21 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1weo h ARG 47 Cb 0.70 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1weo h ARG 47 CO 0.12 0.14 0.00 -0.35 -1.51 0.00 0.00 179.97 178.38 1weo n PRO 48 N -5.02 0.49 0.00 0.20 -0.04 -1.26 -2.20 135.00 127.16 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 0.22 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.93 0.43 0.00 5.03 -1.13 -3.15 116.97 119.08 1weo h TYR 50 Ca 0.00 -0.55 -0.02 0.00 2.58 0.00 0.00 58.73 60.74 1weo h TYR 50 Cb 0.67 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1weo h TYR 50 CO 0.00 1.39 -0.21 0.93 -1.32 0.00 0.00 178.16 178.95 1weo h GLU 51 N 0.22 -0.56 -0.92 1.82 5.08 -1.70 -2.75 114.58 115.76 1weo h GLU 51 Ca -0.15 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.43 1weo h GLU 51 Cb 1.72 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 30.99 1weo h GLU 51 CO 0.20 -0.37 0.50 -0.92 -1.00 0.00 0.00 179.01 177.42 1weo h TYR 52 N -0.59 0.87 -0.31 4.33 3.20 -1.79 0.44 116.97 123.11 1weo h TYR 52 Ca -0.06 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1weo h TYR 52 Cb 0.45 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1weo h TYR 52 CO -0.04 0.15 0.31 1.49 -1.64 0.00 0.00 178.16 178.42 1weo h GLU 53 N 0.63 0.00 0.00 1.82 4.57 -1.44 0.21 114.58 120.37 1weo h GLU 53 Ca 0.53 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.39 1weo h GLU 53 Cb 0.85 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.39 1weo h GLU 53 CO -0.41 0.00 -1.94 0.54 -1.18 0.00 0.00 179.01 176.02 1weo n ARG 54 N -3.90 0.65 0.13 1.92 1.74 0.14 -0.25 116.66 117.10 1weo n ARG 54 Ca 0.05 0.20 -0.07 0.00 -0.77 0.00 0.00 57.85 57.25 1weo n ARG 54 Cb 0.46 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 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 -0.40 0.00 5.56 1.12 0.49 -3.42 114.38 117.74 1weo h ARG 55 Ca -0.38 0.03 -0.22 0.00 -1.11 0.00 0.00 59.98 58.30 1weo h ARG 55 Cb 2.09 0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 32.10 1weo h ARG 55 CO 0.06 -0.23 -1.84 0.39 -3.11 0.00 0.00 179.97 175.25 1weo n GLU 56 N -5.05 1.51 0.00 0.20 1.02 0.57 -5.02 120.64 113.87 1weo n GLU 56 Ca -0.06 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1weo n GLU 56 Cb 0.18 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 2.43 -2.90 0.47 0.62 0.00 -0.42 -4.93 105.19 100.46 1weo n GLY 57 Ca -0.22 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.57 1.48 -3.30 2.61 -2.24 -0.61 -4.76 114.28 106.89 1weo n THR 58 Ca 0.00 -1.44 -0.24 0.00 -2.27 0.00 0.00 64.05 60.10 1weo n THR 58 Cb 0.00 0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.31 -4.77 -3.74 -0.78 6.02 0.66 -4.97 117.38 109.49 1weo n GLN 59 Ca 0.12 0.72 -0.23 0.00 -0.01 0.00 0.00 57.00 57.60 1weo n GLN 59 Cb 0.54 -5.55 -0.17 0.00 1.02 0.00 0.00 30.24 26.07 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 -2.84 1.68 -0.09 1.08 0.01 -1.26 -3.93 114.94 109.59 1weo s ASN 60 Ca 0.41 -0.16 -0.39 0.00 -0.71 0.00 0.00 52.86 52.01 1weo s ASN 60 Cb -0.20 -0.40 -0.18 0.00 0.41 0.00 0.00 41.25 40.89 1weo s ASN 60 CO 0.51 -0.22 1.40 0.00 -1.51 0.00 0.00 177.10 177.27 1weo n PRO 62 N 3.10 0.49 -0.02 0.00 -0.04 -1.26 0.26 135.00 137.53 1weo n PRO 62 Ca 0.22 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.65 1weo n PRO 62 Cb 0.12 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.82 0.10 -0.00 0.54 7.27 -1.26 -4.83 117.38 118.37 1weo n GLN 63 Ca 0.08 0.03 0.01 0.00 0.07 0.00 0.00 57.00 57.18 1weo n GLN 63 Cb 0.03 -0.93 -0.01 0.00 2.41 0.00 0.00 30.24 31.74 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 -1.37 -3.85 -4.12 0.00 4.76 0.74 -4.87 118.16 109.45 1weo n LYS 65 Ca -0.00 0.48 -0.31 0.00 -2.87 0.00 0.00 58.31 55.61 1weo n LYS 65 Cb 0.03 -4.76 -0.07 0.00 -1.84 0.00 0.00 35.03 28.39 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 -3.85 4.38 0.05 -0.18 2.01 -1.26 -4.64 115.64 112.15 1weo s THR 66 Ca 0.02 -0.73 -0.38 0.00 0.31 0.00 0.00 61.69 60.91 1weo s THR 66 Cb -0.01 -3.06 -0.19 0.00 0.01 0.00 0.00 72.50 69.25 1weo s THR 66 CO 0.86 0.20 1.01 -2.11 -0.69 0.00 0.00 174.62 173.89 1weo n ARG 67 N 0.76 0.13 -1.57 4.92 1.85 -1.26 -3.95 116.66 117.54 1weo n ARG 67 Ca -0.11 0.05 -0.18 0.00 -1.00 0.00 0.00 57.85 56.61 1weo n ARG 67 Cb 0.52 -1.48 0.11 0.00 -1.05 0.00 0.00 32.46 30.57 1weo n ARG 67 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1weo n TYR 68 N 1.33 -3.60 -3.71 2.89 4.01 -1.25 -5.00 117.16 111.83 1weo n TYR 68 Ca 0.19 -0.97 -0.12 0.00 -0.16 0.00 0.00 57.90 56.85 1weo n TYR 68 Cb 0.12 -0.61 -0.10 0.00 -0.31 0.00 0.00 39.34 38.44 1weo n TYR 68 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1weo s LYS 69 N -4.65 0.44 -0.28 -0.72 0.00 -1.26 -5.12 119.74 108.16 1weo s LYS 69 Ca 0.48 0.71 -0.40 0.00 0.00 0.00 0.00 55.97 56.76 1weo s LYS 69 Cb -0.02 0.10 -0.15 0.00 0.00 0.00 0.00 37.83 37.76 1weo s LYS 69 CO 0.33 -0.11 1.76 -2.13 0.00 0.00 0.00 175.35 175.20 1weo n ARG 70 N 3.62 1.20 -2.75 1.78 0.63 -1.26 -4.95 116.66 114.94 1weo n ARG 70 Ca -0.19 0.44 -0.15 0.00 -0.92 0.00 0.00 57.85 57.03 1weo n ARG 70 Cb 0.56 -2.14 0.02 0.00 0.45 0.00 0.00 32.46 31.35 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 5.52 0.00 -0.01 6.15 4.77 -1.20 -5.03 117.00 127.19 1weo n LEU 71 Ca 0.27 -1.80 -0.13 0.00 -0.03 0.00 0.00 56.01 54.31 1weo n LEU 71 Cb 0.14 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1weo n LEU 71 CO 0.81 -0.54 0.56 0.03 -1.33 0.00 0.00 177.39 176.91 1weo h ARG 72 N 0.00 -0.49 0.00 3.23 2.47 -2.02 -3.37 114.38 114.20 1weo h ARG 72 Ca -0.21 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1weo h ARG 72 Cb 0.84 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 1weo h ARG 72 CO 0.32 -0.33 0.00 0.41 0.56 0.00 0.00 179.97 180.93 1weo n GLY 73 N -1.44 0.39 2.14 0.04 0.00 -1.26 -4.81 105.19 100.25 1weo n GLY 73 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.39 -0.24 -4.16 1.61 3.41 -1.26 -4.83 113.62 106.76 1weo n SER 74 Ca 0.00 -0.06 -0.29 0.00 -0.26 0.00 0.00 58.87 58.25 1weo n SER 74 Cb 0.00 -0.47 0.22 0.00 -0.26 0.00 0.00 64.21 63.69 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 5.04 -0.61 0.93 4.33 0.04 -1.26 -3.22 135.00 140.25 1weo s PRO 75 Ca 0.82 0.15 -0.10 0.00 0.04 0.00 0.00 61.00 61.91 1weo s PRO 75 Cb -0.67 -1.65 0.16 0.00 0.04 0.00 0.00 34.50 32.37 1weo s PRO 75 CO 0.32 -3.35 1.14 0.50 0.04 0.00 0.00 177.00 175.65 1weo s ARG 76 N -5.23 0.86 0.33 4.56 6.06 -1.26 -4.93 118.95 119.33 1weo s ARG 76 Ca 0.69 1.50 -0.02 0.00 -2.50 0.00 0.00 55.73 55.39 1weo s ARG 76 Cb -0.13 -1.71 -0.00 0.00 0.06 0.00 0.00 34.95 33.16 1weo s ARG 76 CO 0.57 -2.72 0.43 0.14 -2.50 0.00 0.00 175.30 171.21 1weo s VAL 77 N -2.63 0.00 0.05 7.11 -7.23 -1.26 -5.06 120.40 111.38 1weo s VAL 77 Ca 0.67 -1.65 -0.28 0.00 -1.81 0.00 0.00 61.98 58.91 1weo s VAL 77 Cb -0.23 -2.58 -0.14 0.00 0.56 0.00 0.00 36.38 33.99 1weo s VAL 77 CO 0.58 0.00 0.68 -1.84 -0.31 0.00 0.00 175.10 174.22 1weo n GLU 78 N -0.54 0.00 0.00 4.82 -0.00 -1.26 -3.05 120.64 120.61 1weo n GLU 78 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.18 1weo n GLU 78 Cb 0.62 -1.02 0.00 0.00 -0.00 0.00 0.00 31.44 31.04 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1weo n GLY 79 N 1.25 1.68 0.15 -1.84 0.00 -1.26 -4.96 105.19 100.22 1weo n GLY 79 Ca 0.15 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1weo n GLY 79 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1weo h ASP 80 N 2.00 0.45 -3.56 1.61 3.58 -1.98 -3.45 116.42 115.07 1weo h ASP 80 Ca 0.00 -0.40 -0.10 0.00 0.42 0.00 0.00 57.03 56.95 1weo h ASP 80 Cb 0.00 -0.12 -0.25 0.00 1.72 0.00 0.00 39.33 40.68 1weo h ASP 80 CO 0.00 0.75 -0.21 -0.70 -2.88 0.00 0.00 179.24 176.20 1weo s GLU 81 N -4.63 0.49 0.11 0.28 2.56 -1.26 -5.06 118.70 111.19 1weo s GLU 81 Ca -0.14 0.74 -0.25 0.00 0.00 0.00 0.00 54.97 55.33 1weo s GLU 81 Cb 0.07 0.14 -0.09 0.00 2.00 0.00 0.00 34.13 36.24 1weo s GLU 81 CO 0.76 -0.11 1.68 -0.44 -0.56 0.00 0.00 175.26 176.59 1weo h ASP 82 N 6.23 -0.39 -2.71 -1.70 5.19 -2.01 -3.33 116.42 117.71 1weo h ASP 82 Ca -0.31 0.05 -0.71 0.00 -0.62 0.00 0.00 57.03 55.43 1weo h ASP 82 Cb 1.18 0.15 -0.19 0.00 0.18 0.00 0.00 39.33 40.65 1weo h ASP 82 CO 0.24 -0.20 0.68 -0.70 -3.12 0.00 0.00 179.24 176.14 1weo s GLU 83 N -6.14 3.60 -0.20 3.56 2.56 -1.26 -4.74 118.70 116.09 1weo s GLU 83 Ca -0.15 -1.92 0.00 0.00 0.00 0.00 0.00 54.97 52.91 1weo s GLU 83 Cb 0.08 -4.81 -0.12 0.00 2.00 0.00 0.00 34.13 31.27 1weo s GLU 83 CO 0.66 -1.67 -0.18 -1.91 -0.56 0.00 0.00 175.26 171.60 1weo n GLU 84 N 5.99 0.48 -3.78 4.30 2.13 -1.25 -5.09 120.64 123.41 1weo n GLU 84 Ca 0.22 0.12 -0.04 0.00 0.66 0.00 0.00 57.16 58.12 1weo n GLU 84 Cb 0.49 -1.37 -0.01 0.00 0.27 0.00 0.00 31.44 30.82 1weo n GLU 84 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1weo s ASP 85 N -6.00 -0.14 -0.28 4.31 2.15 -1.26 -5.14 116.67 110.31 1weo s ASP 85 Ca -0.27 -0.48 -0.13 0.00 0.43 0.00 0.00 52.55 52.10 1weo s ASP 85 Cb 0.07 0.51 -0.04 0.00 -0.30 0.00 0.00 42.92 43.16 1weo s ASP 85 CO 0.44 -0.95 0.30 -0.63 -0.17 0.00 0.00 175.17 174.16 1weo s ILE 86 N -3.08 5.23 -0.64 4.11 1.01 -1.26 -4.99 121.20 121.58 1weo s ILE 86 Ca 0.14 0.39 -0.33 0.00 0.00 0.00 0.00 60.65 60.84 1weo s ILE 86 Cb -0.02 -3.63 -0.16 0.00 0.01 0.00 0.00 42.46 38.66 1weo s ILE 86 CO 0.03 0.19 2.41 0.47 0.00 0.00 0.00 174.94 178.04 1weo n ASP 87 N 5.22 1.26 -3.68 3.58 9.92 -1.26 -4.88 116.55 126.71 1weo n ASP 87 Ca -0.11 0.19 -0.10 0.00 -0.53 0.00 0.00 54.79 54.25 1weo n ASP 87 Cb 0.51 -1.14 -0.10 0.00 -0.64 0.00 0.00 41.12 39.75 1weo n ASP 87 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1weo s SER 88 N 8.67 -0.44 0.00 -2.24 0.01 -1.26 -5.02 113.70 113.41 1weo s SER 88 Ca 1.19 0.93 0.00 0.00 1.31 0.00 0.00 55.95 59.38 1weo s SER 88 Cb -0.98 0.95 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1weo s SER 88 CO 0.47 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1weo n GLY 89 N 4.60 0.48 3.66 3.44 0.00 -1.26 -5.10 105.19 111.00 1weo n GLY 89 Ca -0.19 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.57 0.11 0.06 1.61 0.04 -1.26 -4.90 135.00 129.08 1weo s PRO 90 Ca 0.00 0.41 -0.38 0.00 0.04 0.00 0.00 61.00 61.08 1weo s PRO 90 Cb 0.00 -1.71 -0.18 0.00 0.04 0.00 0.00 34.50 32.65 1weo s PRO 90 CO 0.00 -2.92 1.26 -1.13 0.04 0.00 0.00 177.00 174.25 1weo n SER 91 N -4.29 1.16 -3.56 6.66 3.41 -1.26 -4.95 113.62 110.79 1weo n SER 91 Ca 0.06 1.13 -0.10 0.00 -0.26 0.00 0.00 58.87 59.70 1weo n SER 91 Cb 0.58 -1.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.37 1weo n SER 91 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1weo s SER 92 N 0.37 -0.35 0.00 4.04 1.04 -1.26 -5.31 113.70 112.23 1weo s SER 92 Ca 0.87 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1weo s SER 92 Cb -1.05 0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1weo s SER 92 CO 0.50 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.94