#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rfl s PRO 6 N 0.00 2.94 0.00 -1.08 0.04 -1.17 -4.45 135.00 131.29 2rfl s PRO 6 Ca 0.00 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2rfl s PRO 6 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2rfl s PRO 6 CO 0.00 -1.10 0.00 0.25 0.04 0.00 0.00 177.00 176.19 2rfl n THR 7 N -2.95 0.00 -3.54 1.26 -2.24 -0.45 -4.85 114.28 101.51 2rfl n THR 7 Ca 0.08 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.49 2rfl n THR 7 Cb 0.53 0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.98 4.12 -0.01 -0.78 6.06 -1.17 -0.21 118.95 124.99 2rfl s ARG 8 Ca 0.00 -0.06 0.08 0.00 -2.50 0.00 0.00 55.73 53.26 2rfl s ARG 8 Cb 0.00 -3.53 -0.02 0.00 0.06 0.00 0.00 34.95 31.46 2rfl s ARG 8 CO 0.00 0.03 -0.25 0.08 -2.50 0.00 0.00 175.30 172.66 2rfl s VAL 9 N 1.13 2.02 -0.17 7.11 1.01 -0.53 -2.69 120.40 128.28 2rfl s VAL 9 Ca 0.13 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 2rfl s VAL 9 Cb -0.14 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2rfl s VAL 9 CO 0.06 0.52 0.02 -0.31 0.00 0.00 0.00 175.10 175.38 2rfl s TYR 10 N -0.64 3.15 -0.42 5.22 1.51 -0.70 -0.57 117.35 124.90 2rfl s TYR 10 Ca 0.10 -0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 55.97 2rfl s TYR 10 Cb -0.10 -2.02 0.07 0.00 -0.11 0.00 0.00 41.96 39.80 2rfl s TYR 10 CO -0.00 0.08 0.27 -0.51 -1.11 0.00 0.00 175.55 174.27 2rfl s LEU 11 N 0.35 5.13 -0.36 -1.29 1.43 -0.61 -0.95 118.68 122.38 2rfl s LEU 11 Ca -0.00 -1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 51.64 2rfl s LEU 11 Cb -0.13 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.11 2rfl s LEU 11 CO 0.01 -0.52 0.15 -0.22 0.23 0.00 0.00 176.35 176.00 2rfl s LEU 12 N 1.48 4.51 0.28 1.79 2.96 0.14 -1.56 118.68 128.28 2rfl s LEU 12 Ca 0.03 -1.14 -0.29 0.00 -0.22 0.00 0.00 54.13 52.51 2rfl s LEU 12 Cb -0.22 -1.92 -0.09 0.00 0.50 0.00 0.00 46.19 44.45 2rfl s LEU 12 CO 0.04 -0.36 1.03 -0.60 -1.32 0.00 0.00 176.35 175.13 2rfl s ARG 13 N 1.44 4.67 0.68 1.98 3.52 -1.04 -1.90 118.95 128.31 2rfl s ARG 13 Ca -0.00 1.64 -0.17 0.00 -0.13 0.00 0.00 55.73 57.07 2rfl s ARG 13 Cb -0.20 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 2rfl s ARG 13 CO 0.04 0.29 0.92 -2.39 -0.81 0.00 0.00 175.30 173.35 2rfl n HIS 14 N 1.15 0.55 -0.96 5.12 1.44 -1.02 -1.75 115.22 119.75 2rfl n HIS 14 Ca -0.01 0.40 -0.30 0.00 -2.01 0.00 0.00 57.72 55.80 2rfl n HIS 14 Cb 0.46 -2.08 0.25 0.00 0.12 0.00 0.00 29.99 28.74 2rfl n HIS 14 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2rfl s ALA 15 N -1.72 0.38 -0.01 1.59 0.00 -1.26 -1.57 121.76 119.16 2rfl s ALA 15 Ca 0.74 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 2rfl s ALA 15 Cb -0.37 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 2rfl s ALA 15 CO 0.50 -3.79 1.43 0.21 0.00 0.00 0.00 175.76 174.11 2rfl s LYS 16 N -5.37 4.27 0.15 0.00 2.20 -1.26 -4.74 119.74 114.99 2rfl s LYS 16 Ca 0.71 1.99 -0.05 0.00 -0.36 0.00 0.00 55.97 58.25 2rfl s LYS 16 Cb -0.10 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 2rfl s LYS 16 CO 0.56 -0.61 0.39 0.00 -0.36 0.00 0.00 175.35 175.33 2rfl s ALA 17 N 2.61 3.78 0.57 3.13 0.00 -1.26 -1.99 121.76 128.59 2rfl s ALA 17 Ca 0.65 -0.55 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 2rfl s ALA 17 Cb -0.31 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 2rfl s ALA 17 CO 0.26 0.66 0.91 0.00 0.00 0.00 0.00 175.76 177.59 2rfl n ALA 18 N 0.05 -0.01 -1.34 0.00 0.00 -0.38 -4.57 120.51 114.26 2rfl n ALA 18 Ca -0.02 0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 2rfl n ALA 18 Cb 0.52 -2.07 0.08 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.51 2.66 0.12 0.00 -2.14 -1.26 -4.81 118.94 111.99 2rfl s TRP 19 Ca 0.73 1.54 -0.30 0.00 2.66 0.00 0.00 56.10 60.73 2rfl s TRP 19 Cb -0.44 -3.04 -0.06 0.00 -3.10 0.00 0.00 33.47 26.83 2rfl s TRP 19 CO 0.49 -1.70 0.97 0.00 -2.66 0.00 0.00 176.95 174.05 2rfl s ALA 20 N -2.85 3.25 0.05 2.67 0.00 -1.26 -5.01 121.76 118.62 2rfl s ALA 20 Ca 0.61 0.59 -0.09 0.00 0.00 0.00 0.00 51.96 53.07 2rfl s ALA 20 Cb -0.17 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 2rfl s ALA 20 CO 0.54 -0.02 0.35 0.00 0.00 0.00 0.00 175.76 176.63 2rfl s ALA 21 N -0.08 3.77 0.14 0.00 0.00 -1.26 -5.05 121.76 119.28 2rfl s ALA 21 Ca 0.47 -0.45 -0.34 0.00 0.00 0.00 0.00 51.96 51.64 2rfl s ALA 21 Cb -0.24 -2.20 -0.14 0.00 0.00 0.00 0.00 23.12 20.54 2rfl s ALA 21 CO 0.30 0.59 1.56 -2.30 0.00 0.00 0.00 175.76 175.92 2rfl n PRO 22 N 1.01 2.02 -0.07 0.00 -0.02 -1.26 -2.96 135.00 133.72 2rfl n PRO 22 Ca -0.09 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2rfl n PRO 22 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.35 0.54 3.94 -1.23 0.00 -1.26 -5.05 105.19 105.48 2rfl n GLY 23 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2rfl n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rfl s GLU 24 N -0.83 3.10 -0.03 1.61 2.02 -1.15 -5.09 118.70 118.33 2rfl s GLU 24 Ca 0.00 -0.29 -0.21 0.00 0.02 0.00 0.00 54.97 54.48 2rfl s GLU 24 Cb 0.00 -2.48 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 2rfl s GLU 24 CO 0.00 -0.34 0.62 1.03 0.02 0.00 0.00 175.26 176.58 2rfl s ARG 25 N -4.66 4.36 0.35 1.61 3.00 -1.26 -4.95 118.95 117.40 2rfl s ARG 25 Ca 0.49 0.75 0.06 0.00 0.00 0.00 0.00 55.73 57.03 2rfl s ARG 25 Cb -0.10 -3.38 0.73 0.00 0.00 0.00 0.00 34.95 32.19 2rfl s ARG 25 CO 0.40 0.26 1.92 0.22 0.00 0.00 0.00 175.30 178.10 2rfl h ASP 26 N 6.06 0.70 -0.02 0.23 3.58 -1.98 -0.82 116.42 124.18 2rfl h ASP 26 Ca -0.43 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.04 2rfl h ASP 26 Cb 1.20 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2rfl h ASP 26 CO 0.72 0.43 0.03 0.15 -2.88 0.00 0.00 179.24 177.68 2rfl h PHE 27 N 0.78 0.00 -0.03 0.28 3.57 -2.00 -1.80 116.94 117.74 2rfl h PHE 27 Ca 0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2rfl h PHE 27 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2rfl h PHE 27 CO -0.00 0.00 0.00 -0.25 -2.23 0.00 0.00 178.31 175.83 2rfl n ASP 28 N -3.78 1.61 -4.64 0.41 8.00 -0.31 -1.76 116.55 116.08 2rfl n ASP 28 Ca -0.02 -1.55 -0.43 0.00 0.71 0.00 0.00 54.79 53.50 2rfl n ASP 28 Cb 0.11 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.98 3.86 0.32 -1.24 0.52 -0.68 -4.82 118.95 114.93 2rfl s ARG 29 Ca 0.37 2.04 -0.05 0.00 -0.52 0.00 0.00 55.73 57.57 2rfl s ARG 29 Cb 0.21 -4.10 0.08 0.00 0.52 0.00 0.00 34.95 31.65 2rfl s ARG 29 CO 0.33 -1.24 0.37 0.41 0.02 0.00 0.00 175.30 175.20 2rfl n GLY 30 N 4.67 -1.68 3.87 -3.53 0.00 -1.26 -3.03 105.19 104.22 2rfl n GLY 30 Ca 0.20 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 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 0.57 0.99 1.43 -1.26 -1.24 118.68 122.98 2rfl s LEU 31 Ca 0.22 1.21 0.06 0.00 -1.03 0.00 0.00 54.13 54.59 2rfl s LEU 31 Cb -0.01 -4.10 0.07 0.00 0.03 0.00 0.00 46.19 42.18 2rfl s LEU 31 CO 0.16 -0.41 0.79 0.54 0.23 0.00 0.00 176.35 177.65 2rfl s ASN 32 N -3.08 5.07 0.29 2.29 6.03 -0.84 -4.33 114.94 120.37 2rfl s ASN 32 Ca 0.53 -0.55 -0.00 0.00 -1.03 0.00 0.00 52.86 51.80 2rfl s ASN 32 Cb -0.10 -0.11 0.49 0.00 -3.03 0.00 0.00 41.25 38.50 2rfl s ASN 32 CO 0.30 -1.31 1.89 -0.33 -2.03 0.00 0.00 177.10 175.62 2rfl h GLU 33 N 0.11 1.04 -0.60 3.55 5.08 -1.99 0.44 114.58 122.21 2rfl h GLU 33 Ca -0.35 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2rfl h GLU 33 Cb 1.28 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2rfl h GLU 33 CO 0.43 0.69 0.22 0.00 -1.00 0.00 0.00 179.01 179.35 2rfl h ALA 34 N 1.49 0.79 -0.31 3.43 0.00 -1.94 -1.32 119.26 121.40 2rfl h ALA 34 Ca 0.42 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2rfl h ALA 34 Cb 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2rfl h ALA 34 CO -0.17 0.42 0.15 0.78 0.00 0.00 0.00 179.25 180.44 2rfl h GLY 35 N 0.85 0.42 0.94 0.00 0.00 -1.39 0.42 103.07 104.30 2rfl h GLY 35 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.43 2rfl h GLY 35 CO -0.01 0.08 0.19 0.74 0.00 0.00 0.00 176.54 177.54 2rfl h PHE 36 N 0.32 0.35 -0.02 5.60 0.04 -0.76 -0.22 116.94 122.25 2rfl h PHE 36 Ca 0.13 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.93 2rfl h PHE 36 Cb 0.05 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 2rfl h PHE 36 CO -0.10 0.21 -0.07 0.00 -0.60 0.00 0.00 178.31 177.75 2rfl h ALA 37 N 1.14 -0.06 -0.32 2.45 0.00 -1.22 -2.66 119.26 118.58 2rfl h ALA 37 Ca 0.12 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2rfl h ALA 37 Cb -0.01 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2rfl h ALA 37 CO -0.05 -0.56 -0.30 0.93 0.00 0.00 0.00 179.25 179.27 2rfl h GLU 38 N -0.11 -0.26 -0.08 0.00 5.08 -0.57 -1.21 114.58 117.42 2rfl h GLU 38 Ca 0.03 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2rfl h GLU 38 Cb 0.16 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2rfl h GLU 38 CO -0.09 -0.17 -0.14 0.00 -1.00 0.00 0.00 179.01 177.61 2rfl h ALA 39 N 0.73 -0.46 -0.66 3.43 0.00 -0.90 -1.68 119.26 119.71 2rfl h ALA 39 Ca 0.15 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.18 2rfl h ALA 39 Cb 0.52 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 2rfl h ALA 39 CO -0.48 -0.53 0.21 1.49 0.00 0.00 0.00 179.25 179.95 2rfl h GLU 40 N -0.12 0.34 -0.47 0.00 4.81 -1.43 0.27 114.58 117.98 2rfl h GLU 40 Ca 0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2rfl h GLU 40 Cb 0.16 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2rfl h GLU 40 CO -0.14 0.23 0.25 0.82 -0.73 0.00 0.00 179.01 179.44 2rfl h ILE 41 N 0.35 1.17 -0.16 2.32 2.04 -0.92 -0.31 117.51 122.00 2rfl h ILE 41 Ca 0.35 -0.45 -0.14 0.00 1.00 0.00 0.00 64.86 65.63 2rfl h ILE 41 Cb 0.52 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2rfl h ILE 41 CO -0.39 0.18 -0.44 0.40 0.00 0.00 0.00 178.15 177.91 2rfl h ILE 42 N 0.62 1.34 -0.66 -0.67 1.08 -0.94 -1.56 117.51 116.73 2rfl h ILE 42 Ca 0.17 -1.70 0.14 0.00 -0.39 0.00 0.00 64.86 63.07 2rfl h ILE 42 Cb 0.07 2.01 -0.11 0.00 -3.07 0.00 0.00 36.82 35.71 2rfl h ILE 42 CO -0.03 0.52 0.04 0.00 -0.69 0.00 0.00 178.15 177.99 2rfl h ALA 43 N 0.55 0.71 0.32 1.87 0.00 -0.35 -1.91 119.26 120.44 2rfl h ALA 43 Ca -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2rfl h ALA 43 Cb 1.05 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2rfl h ALA 43 CO 0.09 -0.39 -0.20 0.22 0.00 0.00 0.00 179.25 178.98 2rfl h ASP 44 N 0.15 -0.50 -0.62 0.00 1.82 -0.99 -2.47 116.42 113.80 2rfl h ASP 44 Ca 0.36 0.03 0.11 0.00 -0.39 0.00 0.00 57.03 57.14 2rfl h ASP 44 Cb 0.59 0.15 -0.08 0.00 0.68 0.00 0.00 39.33 40.67 2rfl h ASP 44 CO -0.54 -0.32 0.17 0.25 -1.61 0.00 0.00 179.24 177.18 2rfl h LEU 45 N -0.50 0.08 -2.27 2.28 5.85 -1.04 0.15 115.31 119.86 2rfl h LEU 45 Ca -0.03 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2rfl h LEU 45 Cb 0.42 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2rfl h LEU 45 CO 0.03 0.05 -0.03 0.00 -0.34 0.00 0.00 178.44 178.14 2rfl h ALA 46 N 1.48 1.11 0.08 1.25 0.00 -1.30 -2.40 119.26 119.48 2rfl h ALA 46 Ca 0.33 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.92 2rfl h ALA 46 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2rfl h ALA 46 CO -0.38 0.04 -1.48 0.00 0.00 0.00 0.00 179.25 177.43 2rfl h ALA 47 N 1.97 0.36 -0.98 0.00 0.00 -0.25 -0.21 119.26 120.15 2rfl h ALA 47 Ca -0.00 -1.14 0.04 0.00 0.00 0.00 0.00 54.91 53.81 2rfl h ALA 47 Cb 0.23 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2rfl h ALA 47 CO 0.00 1.23 0.64 -0.44 0.00 0.00 0.00 179.25 180.69 2rfl h ASP 48 N 0.05 1.07 -0.45 0.00 3.32 -1.16 -2.43 116.42 116.81 2rfl h ASP 48 Ca -0.22 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2rfl h ASP 48 Cb 1.98 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.28 2rfl h ASP 48 CO 0.14 0.73 0.00 0.54 -1.72 0.00 0.00 179.24 178.94 2rfl n ARG 49 N -4.44 2.84 -1.47 3.56 1.74 -0.92 -4.92 116.66 113.04 2rfl n ARG 49 Ca 0.13 -1.96 -0.12 0.00 -0.77 0.00 0.00 57.85 55.13 2rfl n ARG 49 Cb 0.10 -1.68 -0.05 0.00 -1.02 0.00 0.00 32.46 29.81 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 0.72 -0.87 -1.79 5.56 5.12 -0.79 -4.89 116.66 119.72 2rfl n ARG 50 Ca 0.18 0.88 -0.41 0.00 -1.93 0.00 0.00 57.85 56.57 2rfl n ARG 50 Cb 0.64 -4.92 -0.01 0.00 -1.16 0.00 0.00 32.46 27.00 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 -2.83 2.82 -3.34 -1.55 4.01 -0.16 -4.91 117.16 111.21 2rfl n TYR 51 Ca -0.13 -2.94 -0.41 0.00 -0.16 0.00 0.00 57.90 54.27 2rfl n TYR 51 Cb 0.43 -2.23 -0.09 0.00 -0.31 0.00 0.00 39.34 37.14 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 1.19 3.50 0.37 -0.72 3.52 -1.26 -4.87 118.95 120.68 2rfl s ARG 52 Ca 0.54 -0.40 -0.19 0.00 -0.13 0.00 0.00 55.73 55.56 2rfl s ARG 52 Cb 0.15 -3.83 -0.10 0.00 -1.56 0.00 0.00 34.95 29.61 2rfl s ARG 52 CO -0.06 -0.62 0.85 -1.25 -0.81 0.00 0.00 175.30 173.41 2rfl s PRO 53 N 2.16 4.15 0.04 5.12 0.04 -1.26 -4.96 135.00 140.28 2rfl s PRO 53 Ca 0.14 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 2rfl s PRO 53 Cb -0.16 -2.34 -0.17 0.00 0.04 0.00 0.00 34.50 31.87 2rfl s PRO 53 CO 0.13 0.08 1.43 -0.44 0.04 0.00 0.00 177.00 178.24 2rfl h ASP 54 N 2.16 -0.52 -4.45 6.66 3.32 -1.67 -3.45 116.42 118.48 2rfl h ASP 54 Ca -0.48 -0.06 -0.70 0.00 0.02 0.00 0.00 57.03 55.81 2rfl h ASP 54 Cb 1.18 0.13 -0.28 0.00 0.22 0.00 0.00 39.33 40.58 2rfl h ASP 54 CO 0.63 -0.25 -0.88 -0.22 -1.72 0.00 0.00 179.24 176.80 2rfl s LEU 55 N -9.80 2.11 -0.11 1.55 2.96 -0.81 -2.96 118.68 111.61 2rfl s LEU 55 Ca -0.15 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.25 2rfl s LEU 55 Cb 0.03 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.41 2rfl s LEU 55 CO 0.58 0.29 -0.21 -0.63 -1.32 0.00 0.00 176.35 175.05 2rfl s ILE 56 N -0.71 2.31 -0.15 6.68 1.01 0.28 -4.27 121.20 126.35 2rfl s ILE 56 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2rfl s ILE 56 Cb -0.10 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.48 2rfl s ILE 56 CO 0.01 0.55 -0.14 -0.76 0.00 0.00 0.00 174.94 174.60 2rfl s LEU 57 N 0.42 1.69 0.02 2.97 1.43 -1.26 -0.15 118.68 123.81 2rfl s LEU 57 Ca -0.15 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2rfl s LEU 57 Cb -0.17 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 2rfl s LEU 57 CO 0.07 -0.07 -0.08 -0.55 0.23 0.00 0.00 176.35 175.95 2rfl s SER 58 N 1.49 0.88 0.59 2.29 0.15 -0.56 -0.56 113.70 117.99 2rfl s SER 58 Ca 0.05 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.18 2rfl s SER 58 Cb -0.13 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 2rfl s SER 58 CO -0.10 -0.03 1.27 -0.24 1.20 0.00 0.00 173.24 175.33 2rfl n SER 59 N 2.27 2.14 0.01 5.45 2.88 -0.13 -1.12 113.62 125.12 2rfl n SER 59 Ca -0.17 0.90 0.13 0.00 -1.33 0.00 0.00 58.87 58.40 2rfl n SER 59 Cb 0.56 -1.54 0.44 0.00 -0.75 0.00 0.00 64.21 62.93 2rfl n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2rfl n THR 60 N -1.46 0.03 -1.66 2.46 -2.24 -1.25 -3.95 114.28 106.22 2rfl n THR 60 Ca 0.13 -0.02 -0.45 0.00 -2.27 0.00 0.00 64.05 61.44 2rfl n THR 60 Cb 0.46 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 2rfl n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rfl n ALA 61 N -1.52 0.92 -0.33 6.98 0.00 -1.26 -4.79 120.51 120.51 2rfl n ALA 61 Ca 0.06 0.42 0.20 0.00 0.00 0.00 0.00 53.44 54.12 2rfl n ALA 61 Cb 0.34 -2.25 0.39 0.00 0.00 0.00 0.00 19.45 17.93 2rfl n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rfl h ALA 62 N 4.22 1.53 -0.17 0.00 0.00 -1.56 -1.36 119.26 121.93 2rfl h ALA 62 Ca -0.45 0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2rfl h ALA 62 Cb 1.28 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2rfl h ALA 62 CO 0.76 -0.68 -0.52 0.07 0.00 0.00 0.00 179.25 178.88 2rfl h ARG 63 N 0.05 0.48 0.05 0.00 0.11 -1.81 0.52 114.38 113.78 2rfl h ARG 63 Ca 0.68 -0.29 -0.00 0.00 0.10 0.00 0.00 59.98 60.47 2rfl h ARG 63 Cb 1.55 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.66 2rfl h ARG 63 CO -0.83 0.88 -0.02 0.00 0.10 0.00 0.00 179.97 180.10 2rfl h ARG 65 N -0.37 -0.05 0.00 0.00 3.08 -1.12 -0.65 114.38 115.27 2rfl h ARG 65 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2rfl h ARG 65 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2rfl h ARG 65 CO 0.01 -0.03 -0.33 1.96 -1.07 0.00 0.00 179.97 180.51 2rfl h GLN 66 N -0.05 0.00 -0.28 0.04 4.20 -0.96 -0.02 115.11 118.05 2rfl h GLN 66 Ca 0.29 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.83 2rfl h GLN 66 Cb 0.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2rfl h GLN 66 CO -0.66 0.33 -0.50 1.15 -0.67 0.00 0.00 178.83 178.48 2rfl h THR 67 N 0.00 1.29 -0.36 -0.54 2.02 -0.88 -3.00 112.91 111.44 2rfl h THR 67 Ca -0.00 -1.70 -0.10 0.00 0.77 0.00 0.00 66.41 65.37 2rfl h THR 67 Cb 0.65 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 2rfl h THR 67 CO 0.04 0.55 -0.20 0.74 0.37 0.00 0.00 175.52 177.03 2rfl h THR 68 N 0.61 1.26 -0.79 3.16 2.02 -0.77 -3.16 112.91 115.25 2rfl h THR 68 Ca 0.02 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 65.91 2rfl h THR 68 Cb 1.09 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 2rfl h THR 68 CO 0.11 0.42 0.37 1.56 0.37 0.00 0.00 175.52 178.34 2rfl h GLN 69 N 0.60 1.15 -0.72 6.66 4.20 -0.93 -1.66 115.11 124.42 2rfl h GLN 69 Ca 0.09 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.66 2rfl h GLN 69 Cb 0.66 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 2rfl h GLN 69 CO 0.05 0.90 0.44 0.00 -0.67 0.00 0.00 178.83 179.55 2rfl h ALA 70 N 1.19 0.94 -0.51 3.87 0.00 -1.52 -1.84 119.26 121.40 2rfl h ALA 70 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2rfl h ALA 70 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2rfl h ALA 70 CO -0.03 0.21 0.30 -1.49 0.00 0.00 0.00 179.25 178.24 2rfl h TRP 71 N 0.86 0.68 -0.76 0.00 4.06 -1.45 -0.50 115.95 118.84 2rfl h TRP 71 Ca 0.29 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.40 2rfl h TRP 71 Cb 0.04 -0.22 -0.11 0.00 -1.00 0.00 0.00 29.16 27.87 2rfl h TRP 71 CO -0.04 0.48 0.24 1.96 -3.56 0.00 0.00 178.44 177.52 2rfl h GLN 72 N 0.68 0.32 -0.23 0.49 4.20 -0.88 -1.66 115.11 118.04 2rfl h GLN 72 Ca 0.18 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.69 2rfl h GLN 72 Cb 0.01 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2rfl h GLN 72 CO -0.03 0.21 -0.56 -0.09 -0.67 0.00 0.00 178.83 177.69 2rfl h ARG 73 N 0.33 0.78 -0.06 1.46 2.43 -0.95 -3.30 114.38 115.07 2rfl h ARG 73 Ca 0.43 -0.54 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2rfl h ARG 73 Cb 0.73 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2rfl h ARG 73 CO -0.49 1.16 -0.01 0.00 -1.51 0.00 0.00 179.97 179.13 2rfl h ALA 74 N 0.62 0.08 -3.00 2.80 0.00 -0.81 -3.52 119.26 115.43 2rfl h ALA 74 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2rfl h ALA 74 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2rfl h ALA 74 CO 0.12 -0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.33 2rfl n PHE 75 N -4.85 0.00 -0.00 0.00 3.72 -0.65 -4.96 117.46 110.72 2rfl n PHE 75 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2rfl n PHE 75 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 2rfl n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rfl n GLY 78 N 5.00 0.10 3.80 1.37 0.00 -1.26 -5.03 105.19 109.17 2rfl n GLY 78 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.02 4.98 -0.30 -0.61 1.01 -1.26 -5.04 121.20 117.97 2rfl s ILE 79 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 60.65 61.35 2rfl s ILE 79 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2rfl s ILE 79 CO 0.00 0.50 1.85 -0.62 0.00 0.00 0.00 174.94 176.68 2rfl s ASP 80 N -0.63 5.87 -0.21 3.58 2.15 -1.16 -4.97 116.67 121.31 2rfl s ASP 80 Ca 0.26 1.44 0.01 0.00 0.43 0.00 0.00 52.55 54.69 2rfl s ASP 80 Cb -0.17 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 2rfl s ASP 80 CO 0.14 -1.71 -0.17 -0.63 -0.17 0.00 0.00 175.17 172.64 2rfl s ILE 81 N 6.95 2.14 -0.05 4.11 1.01 -1.26 0.10 121.20 134.20 2rfl s ILE 81 Ca 0.83 -1.13 0.04 0.00 0.00 0.00 0.00 60.65 60.38 2rfl s ILE 81 Cb -0.25 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 2rfl s ILE 81 CO 0.34 0.37 -0.16 -0.69 0.00 0.00 0.00 174.94 174.80 2rfl s VAL 82 N 1.24 1.33 -0.21 2.92 1.01 0.79 -4.99 120.40 122.49 2rfl s VAL 82 Ca 0.01 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2rfl s VAL 82 Cb -0.15 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2rfl s VAL 82 CO -0.10 0.39 0.08 -0.31 0.00 0.00 0.00 175.10 175.16 2rfl s TYR 83 N 0.15 3.22 -0.20 5.22 2.02 -1.26 -1.50 117.35 125.01 2rfl s TYR 83 Ca -0.06 -0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2rfl s TYR 83 Cb -0.12 -2.15 0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2rfl s TYR 83 CO 0.02 0.02 -0.11 0.42 -1.57 0.00 0.00 175.55 174.33 2rfl s ILE 84 N 0.77 1.71 0.40 2.71 1.09 -0.27 -4.95 121.20 122.66 2rfl s ILE 84 Ca 0.04 -1.02 0.07 0.00 -1.10 0.00 0.00 60.65 58.64 2rfl s ILE 84 Cb -0.13 -1.75 0.28 0.00 -1.06 0.00 0.00 42.46 39.79 2rfl s ILE 84 CO 0.02 0.21 2.02 0.44 -0.10 0.00 0.00 174.94 177.53 2rfl h ASP 85 N 7.96 0.53 0.00 3.58 3.32 -1.94 -3.32 116.42 126.55 2rfl h ASP 85 Ca -0.29 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.19 2rfl h ASP 85 Cb 1.10 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.55 2rfl h ASP 85 CO 0.49 0.37 2.81 -0.62 -1.72 0.00 0.00 179.24 180.57 2rfl n GLU 86 N -4.47 2.29 -1.56 3.56 -0.58 -1.26 -4.70 120.64 113.92 2rfl n GLU 86 Ca 0.06 -1.88 0.00 0.00 -0.42 0.00 0.00 57.16 54.92 2rfl n GLU 86 Cb 0.14 -2.78 0.00 0.00 -0.57 0.00 0.00 31.44 28.23 2rfl n GLU 86 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2rfl n TYR 88 N 5.40 0.00 -3.06 -0.32 9.36 -1.26 -4.58 117.16 122.69 2rfl n TYR 88 Ca 0.53 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.71 2rfl n TYR 88 Cb 0.27 -0.76 0.00 0.00 -0.63 0.00 0.00 39.34 38.22 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 1.85 -7.63 -4.67 2.98 3.02 -1.26 -5.08 115.26 104.48 2rfl n ASN 89 Ca 0.00 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.27 2rfl n ASN 89 Cb 0.00 -5.05 -0.10 0.00 -0.61 0.00 0.00 39.78 34.02 2rfl n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rfl s ALA 90 N -2.88 3.48 0.30 5.41 0.00 -1.26 -5.16 121.76 121.65 2rfl s ALA 90 Ca 0.07 -1.69 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 2rfl s ALA 90 Cb -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2rfl s ALA 90 CO 0.77 -0.09 0.52 1.03 0.00 0.00 0.00 175.76 177.99 2rfl s ARG 91 N -3.77 3.54 0.54 0.00 0.52 -1.26 -4.67 118.95 113.86 2rfl s ARG 91 Ca 0.26 -0.20 0.21 0.00 -0.52 0.00 0.00 55.73 55.48 2rfl s ARG 91 Cb 0.07 -2.68 1.48 0.00 0.52 0.00 0.00 34.95 34.34 2rfl s ARG 91 CO 0.13 0.21 2.18 0.66 0.02 0.00 0.00 175.30 178.51 2rfl h SER 92 N 1.31 0.00 -0.75 0.23 4.64 -1.92 -1.03 113.55 116.03 2rfl h SER 92 Ca -0.49 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.92 2rfl h SER 92 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 2rfl h SER 92 CO 0.64 0.01 0.49 -0.33 -0.87 0.00 0.00 176.83 176.78 2rfl h GLU 93 N 0.00 0.69 -0.66 4.77 5.08 -1.94 -2.44 114.58 120.09 2rfl h GLU 93 Ca -0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2rfl h GLU 93 Cb 0.02 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2rfl h GLU 93 CO 0.00 0.46 0.13 1.15 -1.00 0.00 0.00 179.01 179.75 2rfl h THR 94 N 0.71 1.26 0.14 1.13 2.02 -1.58 -1.13 112.91 115.47 2rfl h THR 94 Ca 0.34 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2rfl h THR 94 Cb 0.38 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2rfl h THR 94 CO -0.12 0.37 -0.07 1.88 0.37 0.00 0.00 175.52 177.95 2rfl h TYR 95 N 1.00 -0.18 -0.84 3.16 -1.99 -1.50 -1.77 116.97 114.85 2rfl h TYR 95 Ca 0.20 -0.00 0.21 0.00 2.00 0.00 0.00 58.73 61.14 2rfl h TYR 95 Cb 0.39 0.06 -0.14 0.00 2.00 0.00 0.00 36.73 39.04 2rfl h TYR 95 CO 0.03 0.26 0.14 -0.07 -0.00 0.00 0.00 178.16 178.52 2rfl h LEU 96 N -0.74 -0.16 0.04 3.88 -0.00 -1.55 -2.16 115.31 114.63 2rfl h LEU 96 Ca -0.02 0.20 0.02 0.00 -0.00 0.00 0.00 57.88 58.09 2rfl h LEU 96 Cb 0.52 0.31 -0.04 0.00 -0.00 0.00 0.00 40.66 41.46 2rfl h LEU 96 CO 0.03 -0.17 -0.23 0.28 -0.00 0.00 0.00 178.44 178.35 2rfl h SER 97 N 0.16 -0.65 -0.83 -0.43 0.02 -1.05 -1.69 113.55 109.07 2rfl h SER 97 Ca 0.50 0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.65 2rfl h SER 97 Cb 0.97 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.69 2rfl h SER 97 CO -0.67 -0.30 0.45 -0.07 -1.14 0.00 0.00 176.83 175.10 2rfl h LEU 98 N -0.38 0.61 -0.02 5.07 3.38 -0.74 -0.54 115.31 122.68 2rfl h LEU 98 Ca 0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2rfl h LEU 98 Cb 0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2rfl h LEU 98 CO -0.18 0.31 -0.02 0.40 0.09 0.00 0.00 178.44 179.05 2rfl h ILE 99 N 0.71 1.40 -0.98 1.22 2.04 -1.38 -3.30 117.51 117.22 2rfl h ILE 99 Ca 0.42 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 65.09 2rfl h ILE 99 Cb 0.49 2.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 2rfl h ILE 99 CO -0.30 0.32 0.65 0.00 0.00 0.00 0.00 178.15 178.82 2rfl h ALA 100 N 0.50 1.27 0.00 1.87 0.00 -1.05 -2.75 119.26 119.10 2rfl h ALA 100 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2rfl h ALA 100 Cb 0.53 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2rfl h ALA 100 CO 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.82 2rfl h ALA 101 N 1.38 1.45 -0.32 0.00 0.00 -1.17 -3.37 119.26 117.21 2rfl h ALA 101 Ca 0.37 -0.03 -0.72 0.00 0.00 0.00 0.00 54.91 54.54 2rfl h ALA 101 Cb -0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2rfl h ALA 101 CO -0.10 0.04 2.89 1.04 0.00 0.00 0.00 179.25 183.12 2rfl n GLN 102 N -3.77 3.44 0.24 0.00 1.13 -1.04 -4.80 117.38 112.59 2rfl n GLN 102 Ca -0.03 -2.88 0.12 0.00 -1.94 0.00 0.00 57.00 52.28 2rfl n GLN 102 Cb 0.12 -3.02 0.54 0.00 0.11 0.00 0.00 30.24 27.99 2rfl n GLN 102 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2rfl h THR 103 N 3.57 0.38 -0.05 5.09 1.35 -1.78 -2.86 112.91 118.61 2rfl h THR 103 Ca 0.60 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 2rfl h THR 103 Cb 0.53 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 2rfl h THR 103 CO 1.75 0.15 -0.39 -0.62 -0.25 0.00 0.00 175.52 176.15 2rfl n GLU 104 N -3.31 1.61 -4.44 4.72 -0.58 -1.26 -4.54 120.64 112.83 2rfl n GLU 104 Ca 0.00 -3.22 -0.33 0.00 -0.42 0.00 0.00 57.16 53.19 2rfl n GLU 104 Cb 0.38 -1.64 -0.16 0.00 -0.57 0.00 0.00 31.44 29.46 2rfl n GLU 104 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2rfl s VAL 105 N -3.20 2.41 -0.05 2.62 1.01 -1.08 -5.05 120.40 117.05 2rfl s VAL 105 Ca 0.38 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 2rfl s VAL 105 Cb 0.37 -2.01 -0.15 0.00 0.00 0.00 0.00 36.38 34.59 2rfl s VAL 105 CO -0.05 0.52 0.85 -0.61 0.00 0.00 0.00 175.10 175.82 2rfl h GLN 106 N 7.50 -0.25 -5.70 2.72 4.15 -1.93 -3.09 115.11 118.51 2rfl h GLN 106 Ca -0.36 0.02 -0.67 0.00 0.77 0.00 0.00 58.65 58.41 2rfl h GLN 106 Cb 1.18 0.06 -0.26 0.00 0.21 0.00 0.00 27.48 28.66 2rfl h GLN 106 CO 0.58 0.15 -0.78 -1.54 -1.93 0.00 0.00 178.83 175.31 2rfl s SER 107 N -5.40 3.94 0.00 -0.69 1.04 -1.26 -1.34 113.70 109.99 2rfl s SER 107 Ca -0.12 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2rfl s SER 107 Cb 0.01 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.82 2rfl s SER 107 CO 0.45 0.23 0.00 0.55 0.98 0.00 0.00 173.24 175.45 2rfl n VAL 108 N 3.08 0.00 -3.65 5.02 3.14 -1.09 -1.63 118.33 123.19 2rfl n VAL 108 Ca -0.18 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.15 2rfl n VAL 108 Cb 0.52 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.24 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 -0.92 -0.28 6.55 1.43 -0.13 -1.72 118.68 123.62 2rfl s LEU 110 Ca 0.00 1.41 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 2rfl s LEU 110 Cb 0.00 2.11 -0.01 0.00 0.03 0.00 0.00 46.19 48.32 2rfl s LEU 110 CO 0.00 -0.23 0.08 -0.69 0.23 0.00 0.00 176.35 175.74 2rfl s VAL 111 N 2.32 4.12 0.00 -1.59 1.01 0.28 0.27 120.40 126.81 2rfl s VAL 111 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2rfl s VAL 111 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2rfl s VAL 111 CO -0.18 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2rfl n GLY 112 N 4.90 2.53 3.59 4.51 0.00 -0.80 -0.95 105.19 118.96 2rfl n GLY 112 Ca -0.15 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.55 2.76 0.47 1.61 3.76 -1.26 -2.43 115.29 117.66 2rfl s HIS 113 Ca 0.00 -0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.56 2rfl s HIS 113 Cb 0.00 -1.45 -0.09 0.00 1.11 0.00 0.00 32.58 32.15 2rfl s HIS 113 CO 0.00 0.43 1.01 -0.80 -0.85 0.00 0.00 174.74 174.53 2rfl s ASN 114 N -2.17 6.53 0.12 1.40 -0.87 -1.26 -2.81 114.94 115.88 2rfl s ASN 114 Ca 0.21 1.85 0.27 0.00 -1.57 0.00 0.00 52.86 53.62 2rfl s ASN 114 Cb -0.11 -2.55 0.85 0.00 -0.02 0.00 0.00 41.25 39.41 2rfl s ASN 114 CO 0.14 -0.65 1.73 -0.81 -2.57 0.00 0.00 177.10 174.94 2rfl n PRO 115 N -0.87 0.17 0.00 -0.60 -0.05 -1.26 -5.05 135.00 127.34 2rfl n PRO 115 Ca 0.09 0.12 0.00 0.00 -0.05 0.00 0.00 63.50 63.65 2rfl n PRO 115 Cb 0.53 -1.67 0.00 0.00 -0.05 0.00 0.00 33.50 32.31 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 -1.96 0.00 0.00 0.52 -1.04 -1.12 -0.81 114.28 109.87 2rfl n THR 116 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2rfl n THR 116 Cb 0.40 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 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 0.22 0.00 0.13 -2.82 2.13 -1.26 -0.59 120.64 118.45 2rfl n GLU 118 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 2rfl n GLU 118 Cb 0.00 0.00 0.21 0.00 0.27 0.00 0.00 31.44 31.92 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 0.82 -0.30 4.31 0.00 -1.37 -2.84 119.26 119.87 2rfl h ALA 119 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2rfl h ALA 119 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rfl h ALA 119 CO 0.00 0.00 -0.50 1.15 0.00 0.00 0.00 179.25 179.90 2rfl h THR 120 N 0.00 1.28 -0.10 0.00 2.02 -1.09 -2.84 112.91 112.18 2rfl h THR 120 Ca 0.00 -1.68 -0.21 0.00 0.77 0.00 0.00 66.41 65.29 2rfl h THR 120 Cb 0.87 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2rfl h THR 120 CO 0.00 0.55 -0.78 0.25 0.37 0.00 0.00 175.52 175.91 2rfl h LEU 121 N 0.66 0.72 -1.49 2.58 6.46 -1.80 -2.56 115.31 119.89 2rfl h LEU 121 Ca 0.03 -0.49 -0.05 0.00 -0.12 0.00 0.00 57.88 57.25 2rfl h LEU 121 Cb 1.09 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 2rfl h LEU 121 CO 0.11 1.26 -0.25 -0.08 -0.62 0.00 0.00 178.44 178.86 2rfl h GLU 122 N 0.40 0.00 -0.67 1.25 4.81 -1.60 -1.03 114.58 117.74 2rfl h GLU 122 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2rfl h GLU 122 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2rfl h GLU 122 CO 0.15 0.25 0.00 0.00 -0.73 0.00 0.00 179.01 178.68 2rfl n ALA 123 N -2.39 2.01 0.03 2.92 0.00 -0.97 -3.12 120.51 118.99 2rfl n ALA 123 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2rfl n ALA 123 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.16 0.00 0.00 0.00 -5.35 -0.39 -5.03 119.36 108.75 2rfl n ILE 125 Ca 0.00 0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2rfl n ILE 125 Cb 0.17 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 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 -0.43 2.21 0.25 3.28 0.00 -1.18 -4.50 105.19 104.81 2rfl n GLY 126 Ca 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.13 0.04 1.61 4.11 -1.95 -1.09 114.58 117.44 2rfl h GLU 127 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2rfl h GLU 127 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2rfl h GLU 127 CO 0.00 0.09 -0.02 -0.44 0.07 0.00 0.00 179.01 178.71 2rfl h ASP 128 N 0.14 -0.05 0.24 3.06 3.32 -1.96 -1.67 116.42 119.50 2rfl h ASP 128 Ca 0.35 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2rfl h ASP 128 Cb 0.58 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 2rfl h ASP 128 CO -0.55 0.49 -0.09 0.25 -1.72 0.00 0.00 179.24 177.62 2rfl h LEU 129 N -0.61 0.00 0.21 1.55 7.12 -1.77 0.23 115.31 122.04 2rfl h LEU 129 Ca -0.01 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 2rfl h LEU 129 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 2rfl h LEU 129 CO 0.01 0.09 -0.10 0.25 -0.13 0.00 0.00 178.44 178.55 2rfl h LEU 130 N 0.00 -0.24 -2.00 2.25 7.12 -1.13 -1.03 115.31 120.27 2rfl h LEU 130 Ca -0.00 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.09 2rfl h LEU 130 Cb 0.23 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 2rfl h LEU 130 CO 0.01 -0.10 0.17 0.45 -0.13 0.00 0.00 178.44 178.84 2rfl h HIS 131 N -0.45 0.00 0.00 1.25 -0.00 -1.23 0.25 115.15 114.98 2rfl h HIS 131 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2rfl h HIS 131 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 2rfl h HIS 131 CO 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 178.01 2rfl n ALA 132 N -2.58 -0.23 -0.25 2.45 0.00 0.79 -3.39 120.51 117.29 2rfl n ALA 132 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.49 2rfl n ALA 132 Cb 0.32 0.11 0.25 0.00 0.00 0.00 0.00 19.45 20.13 2rfl n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rfl h ALA 133 N -1.83 1.50 -3.38 0.00 0.00 -0.49 -3.35 119.26 111.70 2rfl h ALA 133 Ca 0.00 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.20 2rfl h ALA 133 Cb 0.00 -0.28 -0.38 0.00 0.00 0.00 0.00 17.79 17.13 2rfl h ALA 133 CO 0.00 0.42 -0.60 -0.48 0.00 0.00 0.00 179.25 178.59 2rfl s LEU 134 N -9.90 4.92 0.03 0.00 2.34 0.82 -4.96 118.68 111.94 2rfl s LEU 134 Ca -0.11 -2.35 -0.26 0.00 0.06 0.00 0.00 54.13 51.47 2rfl s LEU 134 Cb 0.19 -1.73 -0.17 0.00 -0.56 0.00 0.00 46.19 43.92 2rfl s LEU 134 CO 0.79 -0.41 1.43 -0.65 -1.06 0.00 0.00 176.35 176.45 2rfl h PRO 135 N 7.50 -0.25 -0.95 1.48 0.11 -1.71 -3.27 132.00 134.91 2rfl h PRO 135 Ca -0.07 0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.41 2rfl h PRO 135 Cb 1.00 0.06 -0.32 0.00 0.11 0.00 0.00 31.00 31.85 2rfl h PRO 135 CO 0.63 0.01 0.54 -1.13 -0.21 0.00 0.00 178.00 177.85 2rfl n SER 136 N -5.10 7.06 -0.32 -2.05 3.41 -1.26 -5.05 113.62 110.31 2rfl n SER 136 Ca -0.09 -3.78 0.03 0.00 -0.26 0.00 0.00 58.87 54.77 2rfl n SER 136 Cb 0.21 -0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 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 -0.89 -1.99 3.60 5.00 0.00 -1.23 -4.84 105.19 104.84 2rfl n GLY 137 Ca 0.59 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.67 3.05 0.58 1.61 2.19 -1.26 -4.83 117.98 118.65 2rfl s PHE 138 Ca 0.00 0.70 -0.10 0.00 0.33 0.00 0.00 56.93 57.86 2rfl s PHE 138 Cb 0.00 -3.69 -0.04 0.00 -1.31 0.00 0.00 43.02 37.98 2rfl s PHE 138 CO 0.00 -0.87 0.97 -1.25 1.83 0.00 0.00 175.22 175.91 2rfl s PRO 139 N 3.50 3.61 0.34 10.12 0.04 -1.26 -4.96 135.00 146.39 2rfl s PRO 139 Ca 0.38 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 2rfl s PRO 139 Cb -0.12 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 2rfl s PRO 139 CO 0.20 -0.47 1.36 0.95 0.04 0.00 0.00 177.00 179.08 2rfl s THR 140 N -3.04 2.53 -1.41 1.26 -4.23 -1.26 -1.80 115.64 107.69 2rfl s THR 140 Ca 0.54 0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 61.56 2rfl s THR 140 Cb -0.11 -3.34 0.01 0.00 1.34 0.00 0.00 72.50 70.40 2rfl s THR 140 CO 0.50 0.12 0.12 -0.24 -0.54 0.00 0.00 174.62 174.58 2rfl n SER 141 N 0.79 -4.91 -4.73 3.99 2.88 -0.61 -4.69 113.62 106.35 2rfl n SER 141 Ca 0.01 0.01 -0.40 0.00 -1.33 0.00 0.00 58.87 57.15 2rfl n SER 141 Cb 0.41 -4.09 -0.05 0.00 -0.75 0.00 0.00 64.21 59.73 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 -2.18 2.74 -0.35 0.46 0.00 -0.75 -4.56 107.32 102.70 2rfl s GLY 142 Ca 0.07 0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.99 2rfl s GLY 142 CO 0.09 1.23 0.12 -2.27 0.00 0.00 0.00 173.10 172.26 2rfl s LEU 143 N 0.45 4.40 -0.09 0.66 2.96 0.16 -2.50 118.68 124.74 2rfl s LEU 143 Ca 0.40 -1.14 -0.27 0.00 -0.22 0.00 0.00 54.13 52.90 2rfl s LEU 143 Cb -0.19 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 2rfl s LEU 143 CO 0.22 -0.34 0.89 0.00 -1.32 0.00 0.00 176.35 175.80 2rfl s ALA 144 N 1.42 3.36 -0.31 5.97 0.00 -0.60 -1.26 121.76 130.34 2rfl s ALA 144 Ca -0.01 0.28 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 2rfl s ALA 144 Cb -0.20 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2rfl s ALA 144 CO 0.03 -0.43 0.12 0.08 0.00 0.00 0.00 175.76 175.56 2rfl s VAL 145 N 1.57 4.18 0.06 0.00 1.01 -0.68 -1.58 120.40 124.96 2rfl s VAL 145 Ca 0.44 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.80 2rfl s VAL 145 Cb -0.18 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2rfl s VAL 145 CO 0.19 0.00 -0.19 -0.76 0.00 0.00 0.00 175.10 174.35 2rfl s LEU 146 N 1.52 2.60 -0.04 3.92 1.02 0.27 -0.08 118.68 127.88 2rfl s LEU 146 Ca 0.02 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.73 2rfl s LEU 146 Cb -0.18 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.54 2rfl s LEU 146 CO 0.04 0.24 -0.10 -1.81 0.02 0.00 0.00 176.35 174.74 2rfl s ASP 147 N -1.59 1.41 0.59 2.29 1.01 0.26 -1.45 116.67 119.19 2rfl s ASP 147 Ca 0.15 -0.22 -0.19 0.00 0.71 0.00 0.00 52.55 53.00 2rfl s ASP 147 Cb -0.10 -0.54 -0.06 0.00 1.01 0.00 0.00 42.92 43.23 2rfl s ASP 147 CO 0.06 0.04 0.90 1.67 0.21 0.00 0.00 175.17 178.04 2rfl n GLN 148 N 3.62 0.86 0.13 8.23 7.27 0.71 -0.28 117.38 137.91 2rfl n GLN 148 Ca -0.21 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.19 2rfl n GLN 148 Cb 0.52 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 31.09 2rfl n GLN 148 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2rfl n ASP 149 N -0.51 -1.43 0.00 1.69 -0.08 -1.26 -4.66 116.55 110.30 2rfl n ASP 149 Ca 0.13 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 2rfl n ASP 149 Cb 0.47 1.48 0.00 0.00 2.34 0.00 0.00 41.12 45.41 2rfl n ASP 149 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2rfl n ARG 158 N -3.19 0.00 -4.41 -0.67 1.74 -1.26 -5.04 116.66 103.83 2rfl n ARG 158 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 2rfl n ARG 158 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 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 0.98 0.06 -1.55 0.52 -1.26 -5.02 118.94 112.67 2rfl s TRP 159 Ca 0.00 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 55.91 2rfl s TRP 159 Cb 0.00 -0.70 -0.04 0.00 -1.15 0.00 0.00 33.47 31.59 2rfl s TRP 159 CO 0.00 -0.10 0.01 -0.98 0.02 0.00 0.00 176.95 175.89 2rfl s ARG 160 N 0.19 2.66 -0.45 4.98 1.70 0.61 -4.72 118.95 123.92 2rfl s ARG 160 Ca -0.03 -0.74 -0.19 0.00 -0.47 0.00 0.00 55.73 54.30 2rfl s ARG 160 Cb -0.09 -2.60 0.03 0.00 -0.57 0.00 0.00 34.95 31.72 2rfl s ARG 160 CO 0.01 0.57 0.55 -1.17 -1.08 0.00 0.00 175.30 174.18 2rfl s LEU 161 N -2.03 4.76 -0.06 -1.89 2.96 -1.26 -0.58 118.68 120.58 2rfl s LEU 161 Ca 0.24 -0.61 -0.27 0.00 -0.22 0.00 0.00 54.13 53.27 2rfl s LEU 161 Cb -0.12 -2.52 -0.22 0.00 0.50 0.00 0.00 46.19 43.83 2rfl s LEU 161 CO 0.16 -0.72 1.12 0.40 -1.32 0.00 0.00 176.35 175.98 2rfl h ILE 162 N 5.81 1.51 -3.68 6.68 2.04 -0.84 -3.49 117.51 125.55 2rfl h ILE 162 Ca -0.26 -1.51 -0.08 0.00 1.00 0.00 0.00 64.86 64.00 2rfl h ILE 162 Cb 1.10 2.54 -0.14 0.00 -0.74 0.00 0.00 36.82 39.58 2rfl h ILE 162 CO 0.87 0.39 -0.31 -0.62 0.00 0.00 0.00 178.15 178.48 2rfl s ASP 163 N -5.85 0.03 -0.26 1.72 2.15 -1.09 -5.02 116.67 108.34 2rfl s ASP 163 Ca -0.17 -0.54 -0.03 0.00 0.43 0.00 0.00 52.55 52.24 2rfl s ASP 163 Cb 0.00 0.36 0.09 0.00 -0.30 0.00 0.00 42.92 43.07 2rfl s ASP 163 CO 0.68 -0.73 0.10 0.12 -0.17 0.00 0.00 175.17 175.17 2rfl s PHE 164 N -3.66 0.80 -0.27 -5.34 2.19 -1.26 -1.69 117.98 108.75 2rfl s PHE 164 Ca 0.03 -1.03 -0.29 0.00 0.33 0.00 0.00 56.93 55.97 2rfl s PHE 164 Cb 0.03 -1.12 -0.00 0.00 -1.31 0.00 0.00 43.02 40.63 2rfl s PHE 164 CO -0.10 -0.76 1.33 -0.51 1.83 0.00 0.00 175.22 177.01 2rfl s LEU 165 N 1.93 3.93 0.00 6.12 1.43 -0.39 -4.91 118.68 126.79 2rfl s LEU 165 Ca 0.07 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 2rfl s LEU 165 Cb -0.17 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 2rfl s LEU 165 CO -0.25 -1.06 -0.06 0.00 0.23 0.00 0.00 176.35 175.21 2rfl s ALA 166 N 4.34 0.48 0.13 4.21 0.00 -1.26 0.41 121.76 130.06 2rfl s ALA 166 Ca 0.58 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 2rfl s ALA 166 Cb -0.18 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2rfl s ALA 166 CO 0.23 0.09 1.46 -1.35 0.00 0.00 0.00 175.76 176.19 2rfl h PRO 167 N 5.79 0.85 0.00 0.00 0.11 -1.84 -3.51 132.00 133.41 2rfl h PRO 167 Ca -0.29 -0.44 0.00 0.00 0.11 0.00 0.00 66.00 65.38 2rfl h PRO 167 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2rfl h PRO 167 CO 0.49 1.08 0.00 0.41 -0.21 0.00 0.00 178.00 179.77