#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rfl s PHE 5 N 0.00 2.74 0.71 7.33 2.99 -1.26 -4.40 117.98 126.08 2rfl s PHE 5 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 56.93 56.69 2rfl s PHE 5 Cb 0.00 -1.43 0.05 0.00 0.00 0.00 0.00 43.02 41.63 2rfl s PHE 5 CO 0.00 0.42 1.05 -1.25 -0.00 0.00 0.00 175.22 175.44 2rfl s PRO 6 N -2.19 2.42 0.00 0.24 0.05 -1.22 -4.29 135.00 130.00 2rfl s PRO 6 Ca 0.21 0.02 0.00 0.00 0.05 0.00 0.00 61.00 61.28 2rfl s PRO 6 Cb -0.11 -2.11 0.00 0.00 0.05 0.00 0.00 34.50 32.33 2rfl s PRO 6 CO 0.14 -1.17 0.00 0.25 0.05 0.00 0.00 177.00 176.27 2rfl n THR 7 N -2.96 0.00 -4.03 1.26 -2.24 0.26 -4.84 114.28 101.73 2rfl n THR 7 Ca 0.07 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 2rfl n THR 7 Cb 0.59 0.83 -0.16 0.00 -2.10 0.00 0.00 70.33 69.49 2rfl n THR 7 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2rfl s ARG 8 N -1.21 2.26 -0.12 -0.78 3.52 0.33 -1.36 118.95 121.60 2rfl s ARG 8 Ca 0.00 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 2rfl s ARG 8 Cb 0.00 -2.49 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 2rfl s ARG 8 CO 0.00 -0.39 -0.17 0.08 -0.81 0.00 0.00 175.30 174.01 2rfl s VAL 9 N 1.34 2.68 -0.03 7.11 1.01 -0.27 -1.06 120.40 131.18 2rfl s VAL 9 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2rfl s VAL 9 Cb -0.16 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2rfl s VAL 9 CO -0.09 0.54 0.01 -0.31 0.00 0.00 0.00 175.10 175.25 2rfl s TYR 10 N 0.31 3.12 -0.25 5.22 1.51 0.30 0.49 117.35 128.05 2rfl s TYR 10 Ca -0.13 0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 56.04 2rfl s TYR 10 Cb -0.16 -1.72 0.08 0.00 -0.11 0.00 0.00 41.96 40.05 2rfl s TYR 10 CO 0.07 0.47 0.06 -0.51 -1.11 0.00 0.00 175.55 174.53 2rfl s LEU 11 N -1.34 1.72 -0.13 -1.29 1.43 0.14 -1.19 118.68 118.01 2rfl s LEU 11 Ca 0.18 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 2rfl s LEU 11 Cb -0.11 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 2rfl s LEU 11 CO 0.08 -0.35 -0.14 -0.22 0.23 0.00 0.00 176.35 175.94 2rfl s LEU 12 N 1.73 2.63 -0.04 1.79 2.96 -0.58 -1.60 118.68 125.58 2rfl s LEU 12 Ca 0.04 -0.36 -0.13 0.00 -0.22 0.00 0.00 54.13 53.45 2rfl s LEU 12 Cb -0.17 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 2rfl s LEU 12 CO -0.17 0.15 0.34 -0.60 -1.32 0.00 0.00 176.35 174.75 2rfl s ARG 13 N 0.41 3.82 0.74 1.98 3.52 -1.15 -1.63 118.95 126.63 2rfl s ARG 13 Ca -0.11 0.26 -0.16 0.00 -0.13 0.00 0.00 55.73 55.59 2rfl s ARG 13 Cb -0.16 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2rfl s ARG 13 CO 0.05 0.69 0.49 -2.39 -0.81 0.00 0.00 175.30 173.33 2rfl n HIS 14 N 1.97 -0.94 -1.45 5.12 1.44 -1.11 0.17 115.22 120.41 2rfl n HIS 14 Ca -0.15 0.34 -0.13 0.00 -2.01 0.00 0.00 57.72 55.77 2rfl n HIS 14 Cb 0.53 -1.90 0.09 0.00 0.12 0.00 0.00 29.99 28.83 2rfl n HIS 14 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2rfl n ALA 15 N -2.46 -0.64 -2.13 1.59 0.00 -1.26 -1.29 120.51 114.32 2rfl n ALA 15 Ca 0.10 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.34 2rfl n ALA 15 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2rfl n ALA 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2rfl s LYS 16 N -4.25 4.04 0.27 0.00 2.20 -1.26 -4.72 119.74 116.02 2rfl s LYS 16 Ca 0.33 1.88 -0.27 0.00 -0.36 0.00 0.00 55.97 57.55 2rfl s LYS 16 Cb -0.01 -3.96 -0.09 0.00 -1.51 0.00 0.00 37.83 32.26 2rfl s LYS 16 CO 0.23 -0.99 0.91 0.00 -0.36 0.00 0.00 175.35 175.14 2rfl s ALA 17 N 4.38 3.30 0.61 3.13 0.00 -1.26 -1.34 121.76 130.57 2rfl s ALA 17 Ca 0.69 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 2rfl s ALA 17 Cb -0.28 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2rfl s ALA 17 CO 0.26 0.21 0.95 0.00 0.00 0.00 0.00 175.76 177.18 2rfl n ALA 18 N 1.02 0.12 -1.33 0.00 0.00 0.75 -4.51 120.51 116.57 2rfl n ALA 18 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 2rfl n ALA 18 Cb 0.49 -2.10 0.08 0.00 0.00 0.00 0.00 19.45 17.92 2rfl n ALA 18 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2rfl s TRP 19 N -1.53 2.51 0.28 0.00 -2.14 -1.26 -4.74 118.94 112.06 2rfl s TRP 19 Ca 0.76 1.57 -0.29 0.00 2.66 0.00 0.00 56.10 60.80 2rfl s TRP 19 Cb -0.41 -3.13 -0.10 0.00 -3.10 0.00 0.00 33.47 26.73 2rfl s TRP 19 CO 0.47 -1.85 1.25 0.00 -2.66 0.00 0.00 176.95 174.15 2rfl s ALA 20 N -2.63 3.48 -0.06 2.67 0.00 -1.26 -5.00 121.76 118.96 2rfl s ALA 20 Ca 0.64 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.59 2rfl s ALA 20 Cb -0.19 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2rfl s ALA 20 CO 0.50 -0.48 0.33 0.00 0.00 0.00 0.00 175.76 176.11 2rfl s ALA 21 N -0.81 3.71 0.17 0.00 0.00 -1.26 -5.08 121.76 118.49 2rfl s ALA 21 Ca 0.50 -0.35 -0.33 0.00 0.00 0.00 0.00 51.96 51.78 2rfl s ALA 21 Cb -0.37 -2.30 -0.15 0.00 0.00 0.00 0.00 23.12 20.30 2rfl s ALA 21 CO 0.46 0.43 1.33 -2.30 0.00 0.00 0.00 175.76 175.68 2rfl n PRO 22 N 2.21 1.57 -0.03 0.00 -0.02 -1.26 -2.48 135.00 134.98 2rfl n PRO 22 Ca -0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2rfl n PRO 22 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2rfl n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rfl n GLY 23 N 2.37 2.07 3.93 -1.23 0.00 -1.26 -5.03 105.19 106.03 2rfl n GLY 23 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2rfl n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rfl s GLU 24 N -0.29 3.26 0.29 1.61 2.56 -1.04 -5.10 118.70 119.99 2rfl s GLU 24 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.97 54.67 2rfl s GLU 24 Cb 0.00 -2.47 -0.08 0.00 2.00 0.00 0.00 34.13 33.57 2rfl s GLU 24 CO 0.00 -0.25 0.68 1.03 -0.56 0.00 0.00 175.26 176.16 2rfl s ARG 25 N -4.64 3.95 0.23 4.30 1.81 -1.26 -4.94 118.95 118.40 2rfl s ARG 25 Ca 0.47 0.56 -0.00 0.00 -1.72 0.00 0.00 55.73 55.04 2rfl s ARG 25 Cb -0.10 -2.50 0.25 0.00 -0.45 0.00 0.00 34.95 32.14 2rfl s ARG 25 CO 0.41 0.21 1.60 0.22 -0.68 0.00 0.00 175.30 177.06 2rfl h ASP 26 N 2.36 0.55 -0.79 0.23 3.58 -1.99 -2.40 116.42 117.97 2rfl h ASP 26 Ca -0.48 -0.24 0.23 0.00 0.42 0.00 0.00 57.03 56.96 2rfl h ASP 26 Cb 1.17 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 2rfl h ASP 26 CO 0.66 0.89 0.62 0.15 -2.88 0.00 0.00 179.24 178.69 2rfl h PHE 27 N 0.42 0.00 -0.40 0.28 3.57 -2.00 -2.73 116.94 116.09 2rfl h PHE 27 Ca 0.04 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2rfl h PHE 27 Cb 0.90 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 2rfl h PHE 27 CO 0.03 0.00 0.05 -0.25 -2.23 0.00 0.00 178.31 175.91 2rfl n ASP 28 N -4.10 3.63 -4.75 0.41 8.00 -0.90 -0.92 116.55 117.92 2rfl n ASP 28 Ca 0.16 -3.31 -0.39 0.00 0.71 0.00 0.00 54.79 51.96 2rfl n ASP 28 Cb 0.90 -0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 2rfl n ASP 28 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2rfl s ARG 29 N -3.01 4.41 0.20 -1.24 0.52 -1.03 -4.92 118.95 113.88 2rfl s ARG 29 Ca 0.46 0.89 0.01 0.00 -0.52 0.00 0.00 55.73 56.57 2rfl s ARG 29 Cb 0.38 -3.37 0.04 0.00 0.52 0.00 0.00 34.95 32.52 2rfl s ARG 29 CO 0.07 0.27 0.28 0.41 0.02 0.00 0.00 175.30 176.35 2rfl n GLY 30 N 2.57 1.26 3.83 -3.53 0.00 -1.26 -2.50 105.19 105.55 2rfl n GLY 30 Ca -0.04 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 2rfl n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rfl s LEU 31 N 0.00 3.82 0.72 0.99 1.43 -1.26 -0.18 118.68 124.20 2rfl s LEU 31 Ca 0.19 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 2rfl s LEU 31 Cb -0.01 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.80 2rfl s LEU 31 CO 0.13 -0.46 0.99 0.54 0.23 0.00 0.00 176.35 177.77 2rfl s ASN 32 N -2.51 4.36 0.23 2.29 6.03 -0.45 -4.26 114.94 120.63 2rfl s ASN 32 Ca 0.61 -0.34 -0.09 0.00 -1.03 0.00 0.00 52.86 52.01 2rfl s ASN 32 Cb -0.10 -0.04 0.36 0.00 -3.03 0.00 0.00 41.25 38.44 2rfl s ASN 32 CO 0.20 -1.86 1.66 -0.33 -2.03 0.00 0.00 177.10 174.75 2rfl h GLU 33 N -0.53 0.15 -0.88 3.55 5.08 -1.98 -1.53 114.58 118.44 2rfl h GLU 33 Ca -0.37 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2rfl h GLU 33 Cb 1.27 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 2rfl h GLU 33 CO 0.41 0.10 0.52 0.00 -1.00 0.00 0.00 179.01 179.03 2rfl h ALA 34 N 1.60 1.13 -0.11 3.43 0.00 -1.94 -2.66 119.26 120.70 2rfl h ALA 34 Ca 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2rfl h ALA 34 Cb 0.60 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rfl h ALA 34 CO -0.55 0.60 0.05 0.78 0.00 0.00 0.00 179.25 180.14 2rfl h GLY 35 N 1.22 0.16 -0.04 0.00 0.00 -1.44 -1.10 103.07 101.87 2rfl h GLY 35 Ca 0.31 -0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.68 2rfl h GLY 35 CO -0.06 0.07 -0.10 0.74 0.00 0.00 0.00 176.54 177.20 2rfl h PHE 36 N 0.06 -0.22 0.36 5.60 0.04 -1.28 -0.52 116.94 120.97 2rfl h PHE 36 Ca 0.04 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2rfl h PHE 36 Cb 0.10 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2rfl h PHE 36 CO -0.04 -0.21 -0.22 0.00 -0.60 0.00 0.00 178.31 177.24 2rfl h ALA 37 N 1.53 -0.55 -0.89 2.45 0.00 -1.42 -2.21 119.26 118.18 2rfl h ALA 37 Ca 0.27 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.31 2rfl h ALA 37 Cb 0.41 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.33 2rfl h ALA 37 CO -0.53 -0.82 0.20 0.93 0.00 0.00 0.00 179.25 179.02 2rfl h GLU 38 N -0.56 0.15 -0.23 0.00 5.08 -0.97 -0.79 114.58 117.27 2rfl h GLU 38 Ca -0.04 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2rfl h GLU 38 Cb 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2rfl h GLU 38 CO 0.04 0.10 -0.11 0.00 -1.00 0.00 0.00 179.01 178.04 2rfl h ALA 39 N 1.81 0.32 0.05 3.43 0.00 -0.90 -1.61 119.26 122.36 2rfl h ALA 39 Ca 0.56 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2rfl h ALA 39 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2rfl h ALA 39 CO -0.70 0.17 -0.02 1.49 0.00 0.00 0.00 179.25 180.18 2rfl h GLU 40 N 0.18 -0.06 0.20 0.00 4.81 -0.90 -2.03 114.58 116.78 2rfl h GLU 40 Ca 0.05 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2rfl h GLU 40 Cb 0.61 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2rfl h GLU 40 CO 0.03 0.01 -0.22 0.82 -0.73 0.00 0.00 179.01 178.93 2rfl h ILE 41 N -0.12 0.52 -0.03 2.32 2.04 -1.14 -0.98 117.51 120.12 2rfl h ILE 41 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2rfl h ILE 41 Cb 0.10 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2rfl h ILE 41 CO 0.01 0.00 0.02 0.40 0.00 0.00 0.00 178.15 178.58 2rfl h ILE 42 N -0.46 1.07 -0.99 -0.67 1.08 -1.35 0.15 117.51 116.34 2rfl h ILE 42 Ca 0.00 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.36 2rfl h ILE 42 Cb 0.44 1.14 -0.07 0.00 -3.07 0.00 0.00 36.82 35.25 2rfl h ILE 42 CO -0.06 0.05 0.63 0.00 -0.69 0.00 0.00 178.15 178.08 2rfl h ALA 43 N 0.94 1.47 -0.27 1.87 0.00 -1.38 0.29 119.26 122.17 2rfl h ALA 43 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2rfl h ALA 43 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2rfl h ALA 43 CO -0.00 0.35 -0.10 -0.44 0.00 0.00 0.00 179.25 179.06 2rfl h ASP 44 N 1.09 0.54 -0.23 0.00 5.19 -0.98 -1.86 116.42 120.17 2rfl h ASP 44 Ca 0.45 -0.39 0.05 0.00 -0.62 0.00 0.00 57.03 56.52 2rfl h ASP 44 Cb 0.28 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.59 2rfl h ASP 44 CO -0.20 0.81 -0.10 0.25 -3.12 0.00 0.00 179.24 176.88 2rfl h LEU 45 N 0.28 -0.34 -2.86 1.55 5.85 -0.60 -0.79 115.31 118.38 2rfl h LEU 45 Ca 0.06 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2rfl h LEU 45 Cb 0.59 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2rfl h LEU 45 CO 0.03 -0.13 -0.00 0.00 -0.34 0.00 0.00 178.44 178.00 2rfl h ALA 46 N 1.14 1.00 0.00 1.25 0.00 -0.38 -1.85 119.26 120.42 2rfl h ALA 46 Ca 0.12 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2rfl h ALA 46 Cb 0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2rfl h ALA 46 CO -0.28 0.00 -1.32 0.00 0.00 0.00 0.00 179.25 177.66 2rfl h ALA 47 N 2.00 0.63 0.00 0.00 0.00 -0.46 -1.53 119.26 119.90 2rfl h ALA 47 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2rfl h ALA 47 Cb 0.05 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2rfl h ALA 47 CO 0.00 0.73 0.00 -0.25 0.00 0.00 0.00 179.25 179.73 2rfl n ASP 48 N -2.85 0.00 0.00 0.00 9.92 -0.39 -3.43 116.55 119.80 2rfl n ASP 48 Ca -0.08 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 2rfl n ASP 48 Cb 0.78 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 2rfl n ASP 48 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2rfl n ARG 49 N -1.41 0.29 -3.54 -1.24 1.74 -1.19 -5.00 116.66 106.30 2rfl n ARG 49 Ca 0.04 -0.60 -0.22 0.00 -0.77 0.00 0.00 57.85 56.30 2rfl n ARG 49 Cb 0.11 -0.80 0.08 0.00 -1.02 0.00 0.00 32.46 30.83 2rfl n ARG 49 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2rfl n ARG 50 N -0.11 -7.56 -1.74 5.56 5.12 -1.20 -4.88 116.66 111.85 2rfl n ARG 50 Ca 0.00 0.83 -0.38 0.00 -1.93 0.00 0.00 57.85 56.37 2rfl n ARG 50 Cb 0.19 -5.85 0.05 0.00 -1.16 0.00 0.00 32.46 25.69 2rfl n ARG 50 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2rfl n TYR 51 N -4.75 2.96 -2.83 -1.55 4.01 -0.58 -4.93 117.16 109.50 2rfl n TYR 51 Ca -0.07 -2.47 -0.43 0.00 -0.16 0.00 0.00 57.90 54.77 2rfl n TYR 51 Cb 0.59 -1.26 -0.04 0.00 -0.31 0.00 0.00 39.34 38.32 2rfl n TYR 51 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2rfl s ARG 52 N -3.88 3.70 0.54 -0.72 3.52 -1.26 -4.89 118.95 115.96 2rfl s ARG 52 Ca 0.55 0.37 -0.12 0.00 -0.13 0.00 0.00 55.73 56.40 2rfl s ARG 52 Cb 0.45 -3.86 -0.05 0.00 -1.56 0.00 0.00 34.95 29.93 2rfl s ARG 52 CO -0.30 -1.06 0.95 -1.25 -0.81 0.00 0.00 175.30 172.82 2rfl s PRO 53 N 3.57 3.71 0.03 5.12 0.04 -1.26 -4.99 135.00 141.22 2rfl s PRO 53 Ca 0.37 0.69 0.12 0.00 0.04 0.00 0.00 61.00 62.22 2rfl s PRO 53 Cb -0.11 -2.18 -0.19 0.00 0.04 0.00 0.00 34.50 32.06 2rfl s PRO 53 CO 0.22 -0.36 0.89 -0.44 0.04 0.00 0.00 177.00 177.35 2rfl h ASP 54 N 0.31 0.00 -3.14 6.66 3.32 -1.18 -3.46 116.42 118.93 2rfl h ASP 54 Ca -0.46 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.33 2rfl h ASP 54 Cb 1.19 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.40 2rfl h ASP 54 CO 0.62 0.90 -0.60 -0.22 -1.72 0.00 0.00 179.24 178.22 2rfl s LEU 55 N -6.21 0.09 -0.27 1.55 2.96 -1.03 -3.60 118.68 112.17 2rfl s LEU 55 Ca -0.02 0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.19 2rfl s LEU 55 Cb 0.09 0.40 -0.03 0.00 0.50 0.00 0.00 46.19 47.15 2rfl s LEU 55 CO 0.82 -0.22 0.11 -0.63 -1.32 0.00 0.00 176.35 175.11 2rfl s ILE 56 N 2.00 4.61 -0.36 6.68 1.01 -0.42 -4.33 121.20 130.40 2rfl s ILE 56 Ca -0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 2rfl s ILE 56 Cb -0.12 -3.20 0.05 0.00 0.01 0.00 0.00 42.46 39.20 2rfl s ILE 56 CO -0.06 0.27 0.14 -0.76 0.00 0.00 0.00 174.94 174.53 2rfl s LEU 57 N 1.65 4.53 0.05 2.97 1.43 -1.26 0.22 118.68 128.27 2rfl s LEU 57 Ca 0.06 -1.26 0.09 0.00 -1.03 0.00 0.00 54.13 51.99 2rfl s LEU 57 Cb -0.16 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2rfl s LEU 57 CO 0.06 -0.38 -0.25 -0.55 0.23 0.00 0.00 176.35 175.46 2rfl s SER 58 N 1.56 2.95 0.70 2.29 0.15 0.11 -0.82 113.70 120.65 2rfl s SER 58 Ca -0.00 -0.57 -0.16 0.00 0.70 0.00 0.00 55.95 55.92 2rfl s SER 58 Cb -0.20 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 63.87 2rfl s SER 58 CO 0.02 0.23 1.22 -0.55 1.20 0.00 0.00 173.24 175.37 2rfl s SER 59 N -1.24 4.38 0.21 5.45 0.15 -0.24 -0.79 113.70 121.63 2rfl s SER 59 Ca 0.10 2.41 0.25 0.00 0.70 0.00 0.00 55.95 59.42 2rfl s SER 59 Cb -0.10 -2.60 0.64 0.00 -1.71 0.00 0.00 66.02 62.25 2rfl s SER 59 CO 0.02 -2.14 1.64 0.71 1.20 0.00 0.00 173.24 174.67 2rfl h THR 60 N 0.00 0.00 -3.97 6.45 1.35 -1.87 -3.35 112.91 111.51 2rfl h THR 60 Ca -0.49 -0.55 -0.53 0.00 -0.55 0.00 0.00 66.41 64.30 2rfl h THR 60 Cb 1.30 1.44 0.09 0.00 -1.73 0.00 0.00 68.15 69.26 2rfl h THR 60 CO 0.51 0.00 0.61 0.00 -0.25 0.00 0.00 175.52 176.39 2rfl s ALA 61 N -3.13 3.17 0.33 6.62 0.00 -1.26 -4.74 121.76 122.75 2rfl s ALA 61 Ca 0.09 1.25 0.18 0.00 0.00 0.00 0.00 51.96 53.47 2rfl s ALA 61 Cb 0.12 -3.50 1.18 0.00 0.00 0.00 0.00 23.12 20.92 2rfl s ALA 61 CO 0.64 -0.93 1.44 0.00 0.00 0.00 0.00 175.76 176.91 2rfl n ALA 62 N -0.12 0.90 0.01 0.00 0.00 -0.10 -1.76 120.51 119.43 2rfl n ALA 62 Ca 0.05 0.93 -0.11 0.00 0.00 0.00 0.00 53.44 54.32 2rfl n ALA 62 Cb 0.44 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 19.01 2rfl n ALA 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2rfl h ARG 63 N 0.00 0.54 -0.27 0.00 0.11 -1.74 -2.15 114.38 110.88 2rfl h ARG 63 Ca 0.75 -0.39 -0.04 0.00 0.10 0.00 0.00 59.98 60.40 2rfl h ARG 63 Cb 1.97 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 33.10 2rfl h ARG 63 CO -0.71 1.01 -0.01 0.00 0.10 0.00 0.00 179.97 180.36 2rfl h ARG 65 N 0.25 -0.18 0.00 0.00 3.08 -1.39 -0.78 114.38 115.36 2rfl h ARG 65 Ca 0.07 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2rfl h ARG 65 Cb 0.43 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2rfl h ARG 65 CO 0.02 -0.12 -0.09 1.96 -1.07 0.00 0.00 179.97 180.67 2rfl h GLN 66 N -0.19 0.00 0.19 0.04 4.20 -1.50 -0.51 115.11 117.35 2rfl h GLN 66 Ca 0.12 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.50 2rfl h GLN 66 Cb 0.36 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.15 2rfl h GLN 66 CO -0.30 0.09 -1.61 1.15 -0.67 0.00 0.00 178.83 177.49 2rfl h THR 67 N 0.00 1.04 -0.82 -0.54 2.02 -1.32 -3.11 112.91 110.18 2rfl h THR 67 Ca -0.00 -2.53 0.09 0.00 0.77 0.00 0.00 66.41 64.74 2rfl h THR 67 Cb 0.25 2.83 -0.07 0.00 -1.74 0.00 0.00 68.15 69.41 2rfl h THR 67 CO 0.01 0.82 0.47 0.74 0.37 0.00 0.00 175.52 177.93 2rfl h THR 68 N 0.03 0.92 -0.14 3.16 2.02 -0.90 -2.84 112.91 115.16 2rfl h THR 68 Ca -0.32 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 66.63 2rfl h THR 68 Cb 2.04 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 2rfl h THR 68 CO 0.18 0.15 -0.11 1.56 0.37 0.00 0.00 175.52 177.67 2rfl h GLN 69 N 0.80 -0.11 -0.74 6.66 4.20 -1.13 -0.76 115.11 124.03 2rfl h GLN 69 Ca 0.39 0.01 0.16 0.00 0.06 0.00 0.00 58.65 59.27 2rfl h GLN 69 Cb 0.34 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.03 2rfl h GLN 69 CO -0.24 -0.07 0.14 0.00 -0.67 0.00 0.00 178.83 177.99 2rfl h ALA 70 N 0.99 0.92 -0.10 3.87 0.00 -1.47 0.10 119.26 123.57 2rfl h ALA 70 Ca 0.09 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2rfl h ALA 70 Cb 0.24 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2rfl h ALA 70 CO -0.21 -0.37 -0.24 -1.49 0.00 0.00 0.00 179.25 176.94 2rfl h TRP 71 N 0.22 0.19 -0.70 0.00 4.06 -1.13 -0.83 115.95 117.76 2rfl h TRP 71 Ca 0.42 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 61.27 2rfl h TRP 71 Cb 0.73 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 28.81 2rfl h TRP 71 CO -0.30 0.41 0.19 1.96 -3.56 0.00 0.00 178.44 177.14 2rfl h GLN 72 N 0.16 1.10 0.01 0.49 4.20 0.33 -2.86 115.11 118.55 2rfl h GLN 72 Ca 0.03 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 2rfl h GLN 72 Cb 0.52 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2rfl h GLN 72 CO 0.04 0.96 -0.01 -0.09 -0.67 0.00 0.00 178.83 179.06 2rfl h ARG 73 N 1.05 -0.02 0.00 1.46 2.43 -0.50 -1.97 114.38 116.83 2rfl h ARG 73 Ca 0.22 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2rfl h ARG 73 Cb 0.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2rfl h ARG 73 CO -0.00 0.30 -0.20 0.00 -1.51 0.00 0.00 179.97 178.56 2rfl h ALA 74 N 0.64 1.65 0.01 2.80 0.00 -1.16 -3.26 119.26 119.93 2rfl h ALA 74 Ca -0.00 -0.18 -0.37 0.00 0.00 0.00 0.00 54.91 54.36 2rfl h ALA 74 Cb 0.33 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2rfl h ALA 74 CO 0.00 0.24 -2.35 1.19 0.00 0.00 0.00 179.25 178.33 2rfl n PHE 75 N -4.27 0.17 -3.84 0.00 3.72 -1.08 -4.90 117.46 107.27 2rfl n PHE 75 Ca -0.02 0.05 -0.28 0.00 -0.05 0.00 0.00 57.45 57.14 2rfl n PHE 75 Cb 0.26 -1.03 0.04 0.00 -0.94 0.00 0.00 39.48 37.81 2rfl n PHE 75 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2rfl n ASN 76 N -3.07 -4.91 -2.01 4.37 3.02 -0.74 -5.10 115.26 106.82 2rfl n ASN 76 Ca -0.38 -0.73 -0.23 0.00 -0.03 0.00 0.00 54.58 53.21 2rfl n ASN 76 Cb 1.06 -4.14 0.14 0.00 -0.61 0.00 0.00 39.78 36.24 2rfl n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rfl n GLY 78 N -1.75 5.15 3.63 7.41 0.00 -1.26 -5.12 105.19 113.26 2rfl n GLY 78 Ca 0.01 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 2rfl n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rfl s ILE 79 N -3.84 3.69 0.04 -0.61 1.01 -1.26 -4.98 121.20 115.25 2rfl s ILE 79 Ca 0.56 0.78 -0.31 0.00 0.00 0.00 0.00 60.65 61.69 2rfl s ILE 79 Cb 0.47 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 2rfl s ILE 79 CO 0.04 -0.26 1.34 -0.62 0.00 0.00 0.00 174.94 175.45 2rfl s ASP 80 N 4.13 6.91 -0.13 3.58 3.68 -1.24 -4.95 116.67 128.65 2rfl s ASP 80 Ca 0.72 2.13 0.02 0.00 2.13 0.00 0.00 52.55 57.54 2rfl s ASP 80 Cb -0.26 -2.57 0.01 0.00 -1.45 0.00 0.00 42.92 38.65 2rfl s ASP 80 CO 0.29 -0.64 -0.20 -0.63 0.13 0.00 0.00 175.17 174.12 2rfl s ILE 81 N 1.75 1.92 -0.10 4.11 1.01 -1.26 -1.30 121.20 127.33 2rfl s ILE 81 Ca 0.62 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2rfl s ILE 81 Cb -0.32 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2rfl s ILE 81 CO 0.28 0.52 -0.18 -0.69 0.00 0.00 0.00 174.94 174.87 2rfl s VAL 82 N 0.90 2.60 -0.22 2.92 1.01 0.13 -5.01 120.40 122.73 2rfl s VAL 82 Ca -0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2rfl s VAL 82 Cb -0.15 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2rfl s VAL 82 CO -0.03 0.55 0.18 -0.31 0.00 0.00 0.00 175.10 175.49 2rfl s TYR 83 N 0.17 3.35 -0.18 5.22 2.02 -1.26 -0.71 117.35 125.96 2rfl s TYR 83 Ca -0.10 0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 2rfl s TYR 83 Cb -0.16 -2.27 0.03 0.00 -0.40 0.00 0.00 41.96 39.17 2rfl s TYR 83 CO 0.06 0.13 -0.14 0.42 -1.57 0.00 0.00 175.55 174.45 2rfl s ILE 84 N 0.86 1.74 0.23 2.71 1.01 0.03 -4.94 121.20 122.84 2rfl s ILE 84 Ca 0.09 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2rfl s ILE 84 Cb -0.13 -1.71 0.14 0.00 0.01 0.00 0.00 42.46 40.77 2rfl s ILE 84 CO 0.03 0.32 1.77 -0.78 0.00 0.00 0.00 174.94 176.28 2rfl h ASP 85 N 7.98 0.96 0.00 3.58 1.82 -1.95 -3.29 116.42 125.51 2rfl h ASP 85 Ca -0.34 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 2rfl h ASP 85 Cb 1.11 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.87 2rfl h ASP 85 CO 0.52 0.92 0.00 -0.62 -1.61 0.00 0.00 179.24 178.45 2rfl n GLU 86 N -4.25 0.00 -0.82 0.28 1.02 -1.26 -4.79 120.64 110.82 2rfl n GLU 86 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2rfl n GLU 86 Cb 0.24 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 2rfl n GLU 86 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2rfl n TYR 88 N 1.12 0.00 -3.66 -0.32 9.36 -1.26 -4.49 117.16 117.92 2rfl n TYR 88 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 2rfl n TYR 88 Cb 0.00 -0.30 0.01 0.00 -0.63 0.00 0.00 39.34 38.43 2rfl n TYR 88 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2rfl n ASN 89 N 0.08 -5.48 -0.85 2.98 3.02 -1.26 -4.97 115.26 108.78 2rfl n ASN 89 Ca 0.00 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 2rfl n ASN 89 Cb 0.00 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 2rfl n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rfl n ALA 90 N -3.20 0.00 -2.60 5.41 0.00 -1.26 -5.17 120.51 113.68 2rfl n ALA 90 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 2rfl n ALA 90 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 2rfl n ALA 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2rfl s ARG 91 N -0.90 2.40 0.37 0.00 1.70 -1.26 -4.64 118.95 116.63 2rfl s ARG 91 Ca 0.00 -1.44 0.12 0.00 -0.47 0.00 0.00 55.73 53.94 2rfl s ARG 91 Cb 0.00 -2.21 0.91 0.00 -0.57 0.00 0.00 34.95 33.07 2rfl s ARG 91 CO 0.00 0.24 1.86 1.03 -1.08 0.00 0.00 175.30 177.35 2rfl h SER 92 N 1.67 0.57 -0.55 -2.89 0.87 -1.94 -2.62 113.55 108.67 2rfl h SER 92 Ca -0.44 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.11 2rfl h SER 92 Cb 1.25 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2rfl h SER 92 CO 0.62 0.27 0.15 -0.33 -0.53 0.00 0.00 176.83 177.01 2rfl h GLU 93 N 0.59 0.88 -0.80 2.24 5.08 -1.94 0.94 114.58 121.57 2rfl h GLU 93 Ca 0.46 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 2rfl h GLU 93 Cb 0.88 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.94 2rfl h GLU 93 CO -0.21 0.81 0.47 1.15 -1.00 0.00 0.00 179.01 180.23 2rfl h THR 94 N 0.78 0.98 -0.05 1.13 2.02 -1.87 -0.69 112.91 115.20 2rfl h THR 94 Ca 0.18 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2rfl h THR 94 Cb 0.31 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2rfl h THR 94 CO -0.00 0.15 -0.00 1.88 0.37 0.00 0.00 175.52 177.92 2rfl h TYR 95 N 0.84 0.11 -0.94 3.16 -1.99 -1.12 -2.89 116.97 114.14 2rfl h TYR 95 Ca 0.36 -0.02 0.10 0.00 2.00 0.00 0.00 58.73 61.17 2rfl h TYR 95 Cb 0.24 -0.03 -0.08 0.00 2.00 0.00 0.00 36.73 38.86 2rfl h TYR 95 CO -0.05 0.38 0.58 -0.07 -0.00 0.00 0.00 178.16 178.99 2rfl h LEU 96 N -0.20 0.86 -1.75 3.88 -0.00 -0.76 -2.27 115.31 115.07 2rfl h LEU 96 Ca 0.02 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2rfl h LEU 96 Cb 0.34 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2rfl h LEU 96 CO 0.00 0.50 0.16 0.28 -0.00 0.00 0.00 178.44 179.38 2rfl h SER 97 N 0.97 0.28 0.58 -0.43 0.02 -0.97 -1.29 113.55 112.71 2rfl h SER 97 Ca 0.44 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 61.11 2rfl h SER 97 Cb 0.36 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.83 2rfl h SER 97 CO -0.23 0.21 -1.22 -0.07 -1.14 0.00 0.00 176.83 174.38 2rfl h LEU 98 N 0.33 0.46 0.43 5.07 3.38 -1.21 -2.67 115.31 121.09 2rfl h LEU 98 Ca 0.09 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2rfl h LEU 98 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2rfl h LEU 98 CO -0.02 1.35 -0.20 0.40 0.09 0.00 0.00 178.44 180.06 2rfl h ILE 99 N 0.10 0.53 -0.88 1.22 2.04 -1.43 -3.27 117.51 115.82 2rfl h ILE 99 Ca -0.13 -0.41 0.25 0.00 1.00 0.00 0.00 64.86 65.57 2rfl h ILE 99 Cb 1.93 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 2rfl h ILE 99 CO 0.20 0.07 0.89 0.00 0.00 0.00 0.00 178.15 179.31 2rfl h ALA 100 N -0.39 2.72 0.00 1.87 0.00 -1.21 -2.84 119.26 119.42 2rfl h ALA 100 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2rfl h ALA 100 Cb 0.55 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2rfl h ALA 100 CO 0.10 -1.35 -1.59 0.00 0.00 0.00 0.00 179.25 176.41 2rfl n ALA 101 N -2.39 2.94 -3.29 0.00 0.00 -1.01 -4.54 120.51 112.22 2rfl n ALA 101 Ca 0.19 -0.44 -0.45 0.00 0.00 0.00 0.00 53.44 52.74 2rfl n ALA 101 Cb 1.18 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2rfl n ALA 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2rfl n GLN 102 N -2.27 3.65 -0.30 0.00 1.13 -1.07 -4.86 117.38 113.65 2rfl n GLN 102 Ca -0.02 -4.45 0.06 0.00 -1.94 0.00 0.00 57.00 50.65 2rfl n GLN 102 Cb 0.53 -2.56 0.21 0.00 0.11 0.00 0.00 30.24 28.53 2rfl n GLN 102 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2rfl n THR 103 N 2.58 0.86 -2.08 5.09 -2.24 -1.26 -3.16 114.28 114.07 2rfl n THR 103 Ca 0.25 -0.65 0.05 0.00 -2.27 0.00 0.00 64.05 61.43 2rfl n THR 103 Cb 0.38 0.13 0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2rfl n THR 103 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rfl n GLU 104 N 0.68 0.71 -3.84 -0.78 1.02 -1.26 -4.38 120.64 112.80 2rfl n GLU 104 Ca 0.15 -2.56 -0.18 0.00 -0.02 0.00 0.00 57.16 54.55 2rfl n GLU 104 Cb 0.48 -0.74 -0.17 0.00 -0.02 0.00 0.00 31.44 31.00 2rfl n GLU 104 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2rfl s VAL 105 N -1.45 0.09 0.24 2.62 1.01 -1.19 -5.04 120.40 116.67 2rfl s VAL 105 Ca 0.35 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.61 2rfl s VAL 105 Cb 0.37 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.48 2rfl s VAL 105 CO -0.12 0.15 1.56 -0.61 0.00 0.00 0.00 175.10 176.08 2rfl h GLN 106 N 7.55 0.00 -2.22 2.72 4.15 -1.92 -3.23 115.11 122.15 2rfl h GLN 106 Ca -0.36 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 58.87 2rfl h GLN 106 Cb 1.13 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 28.51 2rfl h GLN 106 CO 0.40 0.67 -0.50 0.45 -1.93 0.00 0.00 178.83 177.92 2rfl s SER 107 N -6.80 0.43 0.00 -0.69 0.15 -1.24 -0.51 113.70 105.04 2rfl s SER 107 Ca -0.01 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2rfl s SER 107 Cb 0.12 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 2rfl s SER 107 CO 0.77 -0.29 0.00 0.55 1.20 0.00 0.00 173.24 175.47 2rfl n VAL 108 N 5.36 0.00 -3.69 4.45 3.14 -0.22 -0.50 118.33 126.86 2rfl n VAL 108 Ca -0.05 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.23 2rfl n VAL 108 Cb 0.50 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.17 2rfl n VAL 108 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2rfl s LEU 110 N 0.00 -0.11 -0.45 6.55 1.43 -0.34 -0.54 118.68 125.22 2rfl s LEU 110 Ca 0.00 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 2rfl s LEU 110 Cb 0.00 1.26 0.08 0.00 0.03 0.00 0.00 46.19 47.56 2rfl s LEU 110 CO 0.00 -0.20 0.34 -0.69 0.23 0.00 0.00 176.35 176.03 2rfl s VAL 111 N 1.56 4.72 0.00 -1.59 1.01 0.00 -1.52 120.40 124.58 2rfl s VAL 111 Ca -0.08 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2rfl s VAL 111 Cb -0.09 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2rfl s VAL 111 CO -0.12 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.00 2rfl n GLY 112 N 5.06 4.56 3.25 4.51 0.00 -0.65 -1.08 105.19 120.84 2rfl n GLY 112 Ca -0.11 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 2rfl n GLY 112 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rfl s HIS 113 N -1.17 1.55 0.61 1.61 3.76 -1.26 -2.77 115.29 117.62 2rfl s HIS 113 Ca 0.00 -0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 2rfl s HIS 113 Cb 0.00 -0.84 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 2rfl s HIS 113 CO 0.00 0.16 1.06 -0.80 -0.85 0.00 0.00 174.74 174.31 2rfl s ASN 114 N -2.01 5.69 0.08 1.40 0.01 -1.26 -1.93 114.94 116.92 2rfl s ASN 114 Ca 0.05 1.83 0.24 0.00 -0.71 0.00 0.00 52.86 54.27 2rfl s ASN 114 Cb -0.09 -2.53 0.97 0.00 0.41 0.00 0.00 41.25 40.01 2rfl s ASN 114 CO 0.04 -1.23 1.76 -0.81 -1.51 0.00 0.00 177.10 175.35 2rfl n PRO 115 N -2.13 0.09 0.00 -0.60 -0.05 -1.26 -5.00 135.00 126.04 2rfl n PRO 115 Ca 0.09 0.16 0.00 0.00 -0.05 0.00 0.00 63.50 63.70 2rfl n PRO 115 Cb 0.53 -1.62 0.00 0.00 -0.05 0.00 0.00 33.50 32.36 2rfl n PRO 115 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 2rfl n THR 116 N -1.78 0.00 0.00 0.52 -1.04 -0.81 -2.64 114.28 108.53 2rfl n THR 116 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2rfl n THR 116 Cb 0.31 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 2rfl n THR 116 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2rfl n GLU 118 N -0.09 0.00 -0.01 -2.82 2.13 -1.26 -0.52 120.64 118.07 2rfl n GLU 118 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 2rfl n GLU 118 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 2rfl n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rfl h ALA 119 N 0.00 0.90 0.21 4.31 0.00 -1.92 0.12 119.26 122.89 2rfl h ALA 119 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2rfl h ALA 119 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2rfl h ALA 119 CO 0.00 0.63 -0.30 1.15 0.00 0.00 0.00 179.25 180.72 2rfl h THR 120 N 0.49 0.36 -0.03 0.00 2.02 -1.08 -1.03 112.91 113.64 2rfl h THR 120 Ca 0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.25 2rfl h THR 120 Cb 0.84 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2rfl h THR 120 CO 0.07 0.00 -0.33 0.25 0.37 0.00 0.00 175.52 175.88 2rfl h LEU 121 N -0.58 -1.04 -0.97 2.58 6.46 -1.71 -1.85 115.31 118.20 2rfl h LEU 121 Ca 0.01 0.12 0.32 0.00 -0.12 0.00 0.00 57.88 58.20 2rfl h LEU 121 Cb 0.56 0.40 -0.16 0.00 -0.73 0.00 0.00 40.66 40.73 2rfl h LEU 121 CO -0.12 -0.31 0.42 -0.08 -0.62 0.00 0.00 178.44 177.73 2rfl h GLU 122 N -0.39 0.18 -0.57 1.25 4.81 -0.78 -2.21 114.58 116.86 2rfl h GLU 122 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2rfl h GLU 122 Cb 0.43 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2rfl h GLU 122 CO -0.24 0.12 0.00 0.00 -0.73 0.00 0.00 179.01 178.16 2rfl n ALA 123 N -2.49 1.48 0.00 2.92 0.00 -0.39 -2.27 120.51 119.77 2rfl n ALA 123 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2rfl n ALA 123 Cb 0.95 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2rfl n ALA 123 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2rfl n ILE 125 N 0.47 0.00 -0.72 0.00 -5.35 -0.83 -5.03 119.36 107.89 2rfl n ILE 125 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.49 2rfl n ILE 125 Cb 0.08 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 37.98 2rfl n ILE 125 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rfl n GLY 126 N 0.08 -3.36 0.23 3.28 0.00 -0.96 -4.09 105.19 100.37 2rfl n GLY 126 Ca 0.00 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 45.03 2rfl n GLY 126 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2rfl h GLU 127 N 0.02 0.00 0.53 1.61 4.11 -1.94 -2.90 114.58 116.01 2rfl h GLU 127 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2rfl h GLU 127 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2rfl h GLU 127 CO 0.00 0.18 -0.26 -0.44 0.07 0.00 0.00 179.01 178.57 2rfl h ASP 128 N 0.00 -0.61 -0.79 3.06 3.32 -1.94 -3.10 116.42 116.36 2rfl h ASP 128 Ca -0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 2rfl h ASP 128 Cb 0.72 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 2rfl h ASP 128 CO 0.02 -0.20 0.53 0.25 -1.72 0.00 0.00 179.24 178.12 2rfl h LEU 129 N -1.17 0.41 0.77 1.55 7.12 -1.69 -2.81 115.31 119.49 2rfl h LEU 129 Ca -0.07 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 57.93 2rfl h LEU 129 Cb 0.57 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 40.65 2rfl h LEU 129 CO 0.12 0.20 -0.37 0.25 -0.13 0.00 0.00 178.44 178.51 2rfl h LEU 130 N 0.43 -0.88 -2.48 2.25 7.12 -1.59 -0.73 115.31 119.43 2rfl h LEU 130 Ca 0.39 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.45 2rfl h LEU 130 Cb 0.91 0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 2rfl h LEU 130 CO -0.13 -0.60 0.13 0.45 -0.13 0.00 0.00 178.44 178.16 2rfl h HIS 131 N -1.10 0.00 0.00 1.25 3.86 -1.44 0.99 115.15 118.72 2rfl h HIS 131 Ca -0.11 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.00 2rfl h HIS 131 Cb 0.79 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 2rfl h HIS 131 CO 0.04 0.00 -1.20 0.00 0.86 0.00 0.00 177.93 177.63 2rfl h ALA 132 N 1.79 0.60 0.12 2.45 0.00 -1.46 -3.15 119.26 119.60 2rfl h ALA 132 Ca 0.03 -0.50 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 2rfl h ALA 132 Cb 0.30 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2rfl h ALA 132 CO -0.00 0.55 -1.07 0.00 0.00 0.00 0.00 179.25 178.73 2rfl h ALA 133 N 1.65 0.05 -2.17 0.00 0.00 -0.26 -3.43 119.26 115.10 2rfl h ALA 133 Ca -0.09 -0.89 -0.59 0.00 0.00 0.00 0.00 54.91 53.34 2rfl h ALA 133 Cb 1.35 0.30 -0.41 0.00 0.00 0.00 0.00 17.79 19.02 2rfl h ALA 133 CO 0.03 0.58 -0.71 1.28 0.00 0.00 0.00 179.25 180.43 2rfl n LEU 134 N -4.07 3.22 -0.11 0.00 4.77 0.33 -4.94 117.00 116.20 2rfl n LEU 134 Ca -0.20 -5.36 0.20 0.00 -0.03 0.00 0.00 56.01 50.63 2rfl n LEU 134 Cb 0.84 -0.39 0.62 0.00 -2.33 0.00 0.00 43.42 42.16 2rfl n LEU 134 CO 0.43 2.13 1.21 -0.65 -1.33 0.00 0.00 177.39 179.18 2rfl h PRO 135 N 3.87 0.17 -1.14 3.23 0.11 -1.76 -2.44 132.00 134.04 2rfl h PRO 135 Ca 0.16 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.67 2rfl h PRO 135 Cb 0.68 -0.04 -0.40 0.00 0.11 0.00 0.00 31.00 31.35 2rfl h PRO 135 CO 0.76 0.11 -0.47 -1.13 -0.21 0.00 0.00 178.00 177.06 2rfl n SER 136 N -4.40 5.33 0.00 -2.05 3.41 -1.26 -5.03 113.62 109.62 2rfl n SER 136 Ca 0.14 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.00 2rfl n SER 136 Cb 0.67 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2rfl n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rfl n GLY 137 N -0.64 -0.60 3.60 5.00 0.00 -0.92 -4.88 105.19 106.75 2rfl n GLY 137 Ca 0.45 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 2rfl n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rfl s PHE 138 N -2.68 2.71 0.90 1.61 2.19 -1.26 -4.82 117.98 116.63 2rfl s PHE 138 Ca 0.00 0.68 -0.14 0.00 0.33 0.00 0.00 56.93 57.81 2rfl s PHE 138 Cb 0.00 -4.43 0.14 0.00 -1.31 0.00 0.00 43.02 37.42 2rfl s PHE 138 CO 0.00 -1.44 1.20 -1.25 1.83 0.00 0.00 175.22 175.57 2rfl s PRO 139 N 4.60 1.20 0.38 10.12 0.04 -1.26 -4.95 135.00 145.13 2rfl s PRO 139 Ca 0.50 0.01 -0.24 0.00 0.04 0.00 0.00 61.00 61.31 2rfl s PRO 139 Cb -0.08 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 2rfl s PRO 139 CO 0.32 -2.10 0.96 0.95 0.04 0.00 0.00 177.00 177.17 2rfl s THR 140 N -3.55 4.21 -1.69 1.26 -4.23 -1.26 -2.10 115.64 108.29 2rfl s THR 140 Ca 0.66 1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 62.63 2rfl s THR 140 Cb -0.10 -3.79 0.14 0.00 1.34 0.00 0.00 72.50 70.09 2rfl s THR 140 CO 0.52 -0.07 0.61 -0.24 -0.54 0.00 0.00 174.62 174.90 2rfl n SER 141 N -0.04 -2.11 -4.73 3.99 2.88 0.13 -4.65 113.62 109.08 2rfl n SER 141 Ca 0.05 -1.09 -0.40 0.00 -1.33 0.00 0.00 58.87 56.09 2rfl n SER 141 Cb 0.52 -2.43 -0.05 0.00 -0.75 0.00 0.00 64.21 61.50 2rfl n SER 141 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rfl s GLY 142 N -3.55 2.78 -0.34 0.46 0.00 -0.89 -4.50 107.32 101.27 2rfl s GLY 142 Ca 0.58 0.31 -0.04 0.00 0.00 0.00 0.00 44.72 45.56 2rfl s GLY 142 CO 0.95 1.24 0.09 -2.27 0.00 0.00 0.00 173.10 173.12 2rfl s LEU 143 N 0.36 4.38 0.09 0.66 2.96 0.34 -2.96 118.68 124.52 2rfl s LEU 143 Ca 0.41 -1.38 -0.24 0.00 -0.22 0.00 0.00 54.13 52.70 2rfl s LEU 143 Cb -0.20 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.62 2rfl s LEU 143 CO 0.23 -0.36 0.72 0.00 -1.32 0.00 0.00 176.35 175.62 2rfl s ALA 144 N 1.30 3.45 -0.21 5.97 0.00 -0.62 -0.55 121.76 131.09 2rfl s ALA 144 Ca -0.01 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2rfl s ALA 144 Cb -0.20 -2.90 0.04 0.00 0.00 0.00 0.00 23.12 20.06 2rfl s ALA 144 CO -0.00 0.22 -0.13 0.08 0.00 0.00 0.00 175.76 175.93 2rfl s VAL 145 N -0.66 1.90 -0.08 0.00 1.01 -1.22 -0.68 120.40 120.67 2rfl s VAL 145 Ca 0.35 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2rfl s VAL 145 Cb -0.21 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2rfl s VAL 145 CO 0.23 0.22 -0.18 -0.76 0.00 0.00 0.00 175.10 174.60 2rfl s LEU 146 N 1.29 2.45 -0.14 3.92 1.43 0.18 -0.77 118.68 127.04 2rfl s LEU 146 Ca -0.02 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 2rfl s LEU 146 Cb -0.16 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2rfl s LEU 146 CO -0.09 0.25 0.15 -1.81 0.23 0.00 0.00 176.35 175.07 2rfl s ASP 147 N -0.14 6.36 0.24 2.29 1.11 0.09 -1.11 116.67 125.50 2rfl s ASP 147 Ca -0.02 0.42 -0.30 0.00 0.18 0.00 0.00 52.55 52.83 2rfl s ASP 147 Cb -0.14 -2.08 -0.15 0.00 1.07 0.00 0.00 42.92 41.62 2rfl s ASP 147 CO 0.04 0.35 1.00 0.00 1.18 0.00 0.00 175.17 177.74 2rfl n GLN 148 N 2.37 1.13 0.00 8.23 6.02 -0.46 0.10 117.38 134.76 2rfl n GLN 148 Ca -0.19 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2rfl n GLN 148 Cb 0.54 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 30.04 2rfl n GLN 148 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2rfl n ARG 158 N 1.09 0.00 -3.25 -1.09 1.74 -1.26 -4.80 116.66 109.09 2rfl n ARG 158 Ca 0.12 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.01 2rfl n ARG 158 Cb 0.29 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 2rfl n ARG 158 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2rfl s TRP 159 N 0.00 2.48 -0.16 -1.55 0.52 -1.26 -5.11 118.94 113.86 2rfl s TRP 159 Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 56.10 55.62 2rfl s TRP 159 Cb 0.00 -2.26 0.01 0.00 -1.15 0.00 0.00 33.47 30.08 2rfl s TRP 159 CO 0.00 -0.44 -0.20 0.50 0.02 0.00 0.00 176.95 176.83 2rfl s ARG 160 N -4.32 3.04 -0.59 4.98 3.52 0.11 -4.77 118.95 120.91 2rfl s ARG 160 Ca 0.52 -0.82 -0.28 0.00 -0.13 0.00 0.00 55.73 55.02 2rfl s ARG 160 Cb -0.07 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.81 2rfl s ARG 160 CO 0.31 -0.12 1.29 -1.17 -0.81 0.00 0.00 175.30 174.81 2rfl s LEU 161 N 1.08 3.39 -0.07 -0.88 1.98 -1.26 -0.74 118.68 122.18 2rfl s LEU 161 Ca -0.00 0.10 0.01 0.00 -2.89 0.00 0.00 54.13 51.35 2rfl s LEU 161 Cb -0.14 -3.05 -0.25 0.00 0.66 0.00 0.00 46.19 43.41 2rfl s LEU 161 CO -0.07 -1.62 0.56 0.40 -1.89 0.00 0.00 176.35 173.73 2rfl h ILE 162 N 6.23 0.79 -4.43 6.68 5.03 -1.32 -3.49 117.51 126.99 2rfl h ILE 162 Ca -0.26 -2.55 -0.35 0.00 -0.12 0.00 0.00 64.86 61.58 2rfl h ILE 162 Cb 1.07 2.51 -0.10 0.00 -3.03 0.00 0.00 36.82 37.27 2rfl h ILE 162 CO 1.20 0.73 -0.32 -0.62 -0.68 0.00 0.00 178.15 178.46 2rfl s ASP 163 N -6.66 1.20 -0.30 1.72 -1.08 -1.15 -5.02 116.67 105.38 2rfl s ASP 163 Ca -0.13 -1.59 -0.10 0.00 -0.52 0.00 0.00 52.55 50.20 2rfl s ASP 163 Cb 0.07 0.62 0.13 0.00 -1.46 0.00 0.00 42.92 42.28 2rfl s ASP 163 CO 0.80 -1.20 0.66 0.12 0.52 0.00 0.00 175.17 176.07 2rfl s PHE 164 N -3.22 -1.34 -0.20 -5.34 2.19 -1.25 -3.38 117.98 105.44 2rfl s PHE 164 Ca 0.35 2.30 -0.03 0.00 0.33 0.00 0.00 56.93 59.88 2rfl s PHE 164 Cb 0.01 0.80 -0.01 0.00 -1.31 0.00 0.00 43.02 42.51 2rfl s PHE 164 CO 0.23 -0.67 -0.06 -0.51 1.83 0.00 0.00 175.22 176.04 2rfl s LEU 165 N 2.89 2.84 0.07 6.12 1.43 0.29 -4.95 118.68 127.37 2rfl s LEU 165 Ca -0.05 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 2rfl s LEU 165 Cb -0.12 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2rfl s LEU 165 CO -0.19 0.02 -0.14 0.00 0.23 0.00 0.00 176.35 176.27 2rfl s ALA 166 N 1.25 1.13 -2.00 4.21 0.00 -1.26 0.13 121.76 125.22 2rfl s ALA 166 Ca 0.03 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2rfl s ALA 166 Cb -0.14 -0.10 0.11 0.00 0.00 0.00 0.00 23.12 22.99 2rfl s ALA 166 CO -0.02 0.16 0.60 -2.30 0.00 0.00 0.00 175.76 174.19