#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 4.13 0.01 -1.08 0.02 -1.22 -4.59 135.00 132.28 2rfl s PRO 6 Ca 0.00 2.61 0.16 0.00 0.02 0.00 0.00 61.00 63.80 2rfl s PRO 6 Cb 0.00 -3.47 -0.17 0.00 0.02 0.00 0.00 34.50 30.87 2rfl s PRO 6 CO 0.00 -0.83 0.70 0.25 -0.33 0.00 0.00 177.00 176.80 2rfl n THR 7 N 4.56 1.22 -4.16 0.99 -2.24 -0.11 -4.77 114.28 109.77 2rfl n THR 7 Ca 0.17 -0.72 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 2rfl n THR 7 Cb 0.37 -0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.86 3.79 -0.06 -0.78 3.52 -0.74 -1.79 118.95 120.04 2rfl s ARG 8 Ca -0.04 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 2rfl s ARG 8 Cb 0.09 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.39 2rfl s ARG 8 CO 0.82 0.31 -0.20 0.08 -0.81 0.00 0.00 175.30 175.50 2rfl s VAL 9 N 0.23 1.71 -0.19 7.11 1.01 0.15 -1.31 120.40 129.10 2rfl s VAL 9 Ca 0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2rfl s VAL 9 Cb -0.13 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2rfl s VAL 9 CO 0.01 0.48 -0.12 -0.31 0.00 0.00 0.00 175.10 175.16 2rfl s TYR 10 N 0.10 2.86 -0.34 5.22 1.51 -0.05 0.12 117.35 126.76 2rfl s TYR 10 Ca -0.08 -1.21 -0.14 0.00 -1.01 0.00 0.00 57.07 54.64 2rfl s TYR 10 Cb -0.14 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 2rfl s TYR 10 CO 0.04 -0.62 0.28 -0.51 -1.11 0.00 0.00 175.55 173.63 2rfl s LEU 11 N 1.27 4.48 -0.21 -1.29 1.43 0.41 -1.43 118.68 123.33 2rfl s LEU 11 Ca 0.03 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2rfl s LEU 11 Cb -0.14 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2rfl s LEU 11 CO -0.06 -0.26 -0.13 -0.22 0.23 0.00 0.00 176.35 175.90 2rfl s LEU 12 N 1.82 2.66 0.19 1.79 2.96 0.16 -0.76 118.68 127.50 2rfl s LEU 12 Ca 0.08 -0.76 -0.19 0.00 -0.22 0.00 0.00 54.13 53.05 2rfl s LEU 12 Cb -0.17 -1.57 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 2rfl s LEU 12 CO 0.11 -0.06 0.67 -0.60 -1.32 0.00 0.00 176.35 175.16 2rfl s ARG 13 N 1.30 4.20 0.58 1.98 3.52 -1.11 -0.78 118.95 128.64 2rfl s ARG 13 Ca 0.02 0.78 -0.18 0.00 -0.13 0.00 0.00 55.73 56.23 2rfl s ARG 13 Cb -0.15 -2.93 -0.10 0.00 -1.56 0.00 0.00 34.95 30.21 2rfl s ARG 13 CO -0.09 0.44 0.30 -2.39 -0.81 0.00 0.00 175.30 172.76 2rfl n HIS 14 N 0.84 -1.46 -2.14 5.12 1.44 -0.64 -0.95 115.22 117.44 2rfl n HIS 14 Ca -0.04 0.42 -0.28 0.00 -2.01 0.00 0.00 57.72 55.81 2rfl n HIS 14 Cb 0.51 -1.86 0.18 0.00 0.12 0.00 0.00 29.99 28.94 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 -1.83 2.64 0.03 1.59 0.00 -1.26 -2.06 121.76 120.87 2rfl s ALA 15 Ca 0.64 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.84 2rfl s ALA 15 Cb -0.44 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 2rfl s ALA 15 CO 0.59 -2.26 1.94 1.17 0.00 0.00 0.00 175.76 177.20 2rfl n LYS 16 N -3.55 2.75 -3.20 0.00 4.81 -1.26 -4.82 118.16 112.89 2rfl n LYS 16 Ca 0.16 1.01 -0.31 0.00 -0.87 0.00 0.00 58.31 58.30 2rfl n LYS 16 Cb 0.60 -2.93 -0.04 0.00 0.02 0.00 0.00 35.03 32.67 2rfl n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rfl s ALA 17 N 4.09 3.48 0.87 3.14 0.00 -1.26 -2.37 121.76 129.71 2rfl s ALA 17 Ca 0.88 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 2rfl s ALA 17 Cb -0.48 -2.54 0.08 0.00 0.00 0.00 0.00 23.12 20.18 2rfl s ALA 17 CO 0.43 0.28 0.90 0.00 0.00 0.00 0.00 175.76 177.36 2rfl n ALA 18 N -0.66 -1.14 -1.78 0.00 0.00 -0.34 -4.63 120.51 111.96 2rfl n ALA 18 Ca 0.01 -0.47 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 2rfl n ALA 18 Cb 0.53 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 2rfl n ALA 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2rfl s TRP 19 N -2.34 3.18 0.38 0.00 0.51 -1.26 -4.90 118.94 114.51 2rfl s TRP 19 Ca 0.66 1.53 -0.27 0.00 -2.12 0.00 0.00 56.10 55.90 2rfl s TRP 19 Cb -0.26 -2.94 -0.09 0.00 -0.81 0.00 0.00 33.47 29.37 2rfl s TRP 19 CO 0.58 -0.65 1.31 0.00 -0.51 0.00 0.00 176.95 177.68 2rfl s ALA 20 N -2.32 3.36 -0.23 0.98 0.00 -1.26 -4.99 121.76 117.29 2rfl s ALA 20 Ca 0.63 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.78 2rfl s ALA 20 Cb -0.13 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2rfl s ALA 20 CO 0.26 -0.77 0.03 0.00 0.00 0.00 0.00 175.76 175.29 2rfl s ALA 21 N -1.22 3.08 -0.46 0.00 0.00 -1.26 -5.05 121.76 116.86 2rfl s ALA 21 Ca 0.54 -1.07 -0.45 0.00 0.00 0.00 0.00 51.96 50.97 2rfl s ALA 21 Cb -0.39 -1.92 -0.19 0.00 0.00 0.00 0.00 23.12 20.62 2rfl s ALA 21 CO 0.51 -0.34 1.67 -2.30 0.00 0.00 0.00 175.76 175.29 2rfl n PRO 22 N 4.63 0.23 0.00 0.00 -0.02 -1.26 -0.94 135.00 137.64 2rfl n PRO 22 Ca -0.17 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2rfl n PRO 22 Cb 0.51 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 4.28 2.87 3.79 -1.23 0.00 -1.26 -5.03 105.19 108.62 2rfl n GLY 23 Ca 0.32 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.54 -0.17 1.61 0.41 -0.11 -5.02 118.70 116.96 2rfl s GLU 24 Ca 0.00 0.45 -0.19 0.00 -0.41 0.00 0.00 54.97 54.82 2rfl s GLU 24 Cb 0.00 -1.87 -0.03 0.00 -1.78 0.00 0.00 34.13 30.45 2rfl s GLU 24 CO 0.00 -1.96 0.54 1.03 -0.49 0.00 0.00 175.26 174.38 2rfl s ARG 25 N -5.22 4.25 0.22 1.61 0.52 -1.26 -4.81 118.95 114.26 2rfl s ARG 25 Ca 0.62 0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 56.25 2rfl s ARG 25 Cb -0.15 -3.52 0.26 0.00 0.52 0.00 0.00 34.95 32.06 2rfl s ARG 25 CO 0.54 -0.07 1.83 0.22 0.02 0.00 0.00 175.30 177.84 2rfl h ASP 26 N 7.23 0.70 -0.87 0.23 3.58 -1.95 0.19 116.42 125.53 2rfl h ASP 26 Ca -0.36 0.02 0.33 0.00 0.42 0.00 0.00 57.03 57.44 2rfl h ASP 26 Cb 1.16 -0.13 -0.12 0.00 1.72 0.00 0.00 39.33 41.97 2rfl h ASP 26 CO 0.75 0.46 0.52 0.33 -2.88 0.00 0.00 179.24 178.42 2rfl n PHE 27 N -4.69 0.68 0.49 0.28 7.35 -1.26 -1.22 117.46 119.09 2rfl n PHE 27 Ca 0.10 0.68 0.09 0.00 -0.76 0.00 0.00 57.45 57.57 2rfl n PHE 27 Cb 0.15 -1.10 0.13 0.00 0.35 0.00 0.00 39.48 39.01 2rfl n PHE 27 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2rfl n ASP 28 N -4.39 2.86 -4.61 -2.13 8.00 0.64 0.08 116.55 116.99 2rfl n ASP 28 Ca 0.29 -1.85 -0.43 0.00 0.71 0.00 0.00 54.79 53.51 2rfl n ASP 28 Cb 1.04 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 42.01 2rfl n ASP 28 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2rfl s ARG 29 N -1.42 3.71 0.00 -1.24 3.52 -0.36 -4.79 118.95 118.37 2rfl s ARG 29 Ca 0.27 1.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 2rfl s ARG 29 Cb 0.17 -3.98 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 2rfl s ARG 29 CO 0.25 -1.39 0.00 0.41 -0.81 0.00 0.00 175.30 173.76 2rfl n GLY 30 N 4.77 2.89 3.79 8.12 0.00 -1.26 -3.16 105.19 120.34 2rfl n GLY 30 Ca 0.16 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 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 3.43 0.64 0.99 1.43 -1.26 -1.20 118.68 122.71 2rfl s LEU 31 Ca 0.00 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 55.04 2rfl s LEU 31 Cb 0.00 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.79 2rfl s LEU 31 CO 0.00 -1.38 0.89 0.54 0.23 0.00 0.00 176.35 176.63 2rfl s ASN 32 N -2.74 4.75 0.20 2.29 6.03 -1.00 -4.49 114.94 119.98 2rfl s ASN 32 Ca 0.65 -0.69 -0.11 0.00 -1.03 0.00 0.00 52.86 51.68 2rfl s ASN 32 Cb -0.18 0.25 0.26 0.00 -3.03 0.00 0.00 41.25 38.55 2rfl s ASN 32 CO 0.40 -1.60 1.72 -0.33 -2.03 0.00 0.00 177.10 175.26 2rfl h GLU 33 N -0.14 0.30 -0.08 3.55 5.08 -1.98 -0.63 114.58 120.68 2rfl h GLU 33 Ca -0.32 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2rfl h GLU 33 Cb 1.28 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2rfl h GLU 33 CO 0.40 0.20 -0.06 0.00 -1.00 0.00 0.00 179.01 178.54 2rfl h ALA 34 N 1.43 0.01 -0.02 3.43 0.00 -1.95 -2.28 119.26 119.87 2rfl h ALA 34 Ca 0.29 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2rfl h ALA 34 Cb 0.39 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2rfl h ALA 34 CO -0.34 -0.53 -0.30 0.78 0.00 0.00 0.00 179.25 178.86 2rfl h GLY 35 N -0.07 -0.47 0.52 0.00 0.00 -1.51 -0.57 103.07 100.97 2rfl h GLY 35 Ca 0.06 0.36 0.20 0.00 0.00 0.00 0.00 47.33 47.95 2rfl h GLY 35 CO -0.13 -0.22 0.54 0.74 0.00 0.00 0.00 176.54 177.47 2rfl h PHE 36 N -0.44 0.00 0.07 5.60 0.04 -0.95 -1.20 116.94 120.06 2rfl h PHE 36 Ca 0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 2rfl h PHE 36 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 2rfl h PHE 36 CO -0.34 0.00 -0.03 0.00 -0.60 0.00 0.00 178.31 177.34 2rfl h ALA 37 N 1.58 -0.09 0.00 2.45 0.00 -0.56 -3.04 119.26 119.60 2rfl h ALA 37 Ca 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2rfl h ALA 37 Cb 1.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2rfl h ALA 37 CO -0.00 -0.18 -0.03 1.05 0.00 0.00 0.00 179.25 180.09 2rfl h GLU 38 N -0.83 0.00 0.06 0.00 4.11 -0.94 -2.01 114.58 114.97 2rfl h GLU 38 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2rfl h GLU 38 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2rfl h GLU 38 CO 0.01 0.03 -0.03 0.00 0.07 0.00 0.00 179.01 179.10 2rfl h ALA 39 N 1.97 -0.08 -0.87 1.06 0.00 -1.31 -2.65 119.26 117.38 2rfl h ALA 39 Ca -0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.83 2rfl h ALA 39 Cb 0.53 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2rfl h ALA 39 CO 0.00 -0.37 0.51 1.49 0.00 0.00 0.00 179.25 180.89 2rfl h GLU 40 N -0.43 0.82 -0.03 0.00 4.81 -1.37 0.70 114.58 119.07 2rfl h GLU 40 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2rfl h GLU 40 Cb 0.38 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2rfl h GLU 40 CO 0.01 0.54 -0.03 0.82 -0.73 0.00 0.00 179.01 179.63 2rfl h ILE 41 N 0.84 1.37 -0.76 2.32 5.03 -1.39 -2.19 117.51 122.73 2rfl h ILE 41 Ca 0.42 -1.15 -0.04 0.00 -0.12 0.00 0.00 64.86 63.98 2rfl h ILE 41 Cb 0.40 2.08 -0.03 0.00 -3.03 0.00 0.00 36.82 36.23 2rfl h ILE 41 CO -0.25 0.31 0.33 0.40 -0.68 0.00 0.00 178.15 178.25 2rfl h ILE 42 N -0.38 1.25 -0.59 -0.67 1.08 -1.33 0.16 117.51 117.04 2rfl h ILE 42 Ca 0.01 -0.75 0.12 0.00 -0.39 0.00 0.00 64.86 63.84 2rfl h ILE 42 Cb 0.51 0.33 -0.11 0.00 -3.07 0.00 0.00 36.82 34.48 2rfl h ILE 42 CO 0.01 0.31 -0.09 0.00 -0.69 0.00 0.00 178.15 177.68 2rfl h ALA 43 N 1.17 0.46 0.04 1.87 0.00 -0.74 0.21 119.26 122.26 2rfl h ALA 43 Ca 0.26 0.21 -0.28 0.00 0.00 0.00 0.00 54.91 55.10 2rfl h ALA 43 Cb 0.17 0.40 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2rfl h ALA 43 CO -0.03 -0.42 -1.11 -0.44 0.00 0.00 0.00 179.25 177.25 2rfl h ASP 44 N 0.04 0.90 -0.34 0.00 3.32 -0.94 -1.61 116.42 117.79 2rfl h ASP 44 Ca 0.29 -0.76 0.06 0.00 0.02 0.00 0.00 57.03 56.65 2rfl h ASP 44 Cb 0.46 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 2rfl h ASP 44 CO -0.57 1.56 -0.03 0.25 -1.72 0.00 0.00 179.24 178.73 2rfl h LEU 45 N 0.36 -0.20 -0.68 1.55 5.85 -0.82 0.58 115.31 121.96 2rfl h LEU 45 Ca -0.15 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2rfl h LEU 45 Cb 1.77 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.92 2rfl h LEU 45 CO 0.22 -0.06 0.41 0.00 -0.34 0.00 0.00 178.44 178.67 2rfl h ALA 46 N 1.31 0.89 -0.14 1.25 0.00 -0.57 -1.47 119.26 120.54 2rfl h ALA 46 Ca 0.17 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2rfl h ALA 46 Cb 0.24 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2rfl h ALA 46 CO -0.30 0.16 -0.77 0.00 0.00 0.00 0.00 179.25 178.34 2rfl h ALA 47 N 1.30 0.28 -0.68 0.00 0.00 -1.12 0.09 119.26 119.13 2rfl h ALA 47 Ca 0.28 -0.60 0.12 0.00 0.00 0.00 0.00 54.91 54.71 2rfl h ALA 47 Cb 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 2rfl h ALA 47 CO -0.12 0.65 -0.22 -3.47 0.00 0.00 0.00 179.25 176.09 2rfl n ASP 48 N -3.97 -0.35 -1.23 0.00 -0.08 0.20 -1.33 116.55 109.79 2rfl n ASP 48 Ca -0.08 1.17 0.12 0.00 -1.51 0.00 0.00 54.79 54.49 2rfl n ASP 48 Cb 0.74 -0.31 0.28 0.00 2.34 0.00 0.00 41.12 44.17 2rfl n ASP 48 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2rfl n ARG 49 N -5.05 2.57 -2.57 -0.67 1.74 -0.57 -4.94 116.66 107.17 2rfl n ARG 49 Ca 0.09 -2.42 -0.20 0.00 -0.77 0.00 0.00 57.85 54.55 2rfl n ARG 49 Cb 0.30 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.52 -2.52 -2.49 5.56 5.12 -0.13 -4.88 116.66 118.84 2rfl n ARG 50 Ca 0.22 0.90 -0.42 0.00 -1.93 0.00 0.00 57.85 56.63 2rfl n ARG 50 Cb 0.60 -5.60 -0.01 0.00 -1.16 0.00 0.00 32.46 26.29 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 -4.01 4.43 -3.90 -1.55 4.01 -0.31 -4.95 117.16 110.87 2rfl n TYR 51 Ca -0.19 -2.71 -0.35 0.00 -0.16 0.00 0.00 57.90 54.48 2rfl n TYR 51 Cb 0.66 -2.63 -0.14 0.00 -0.31 0.00 0.00 39.34 36.92 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 4.40 3.15 0.37 -0.72 3.52 -1.26 -4.67 118.95 123.74 2rfl s ARG 52 Ca 0.55 -0.78 -0.13 0.00 -0.13 0.00 0.00 55.73 55.24 2rfl s ARG 52 Cb 0.04 -3.05 -0.08 0.00 -1.56 0.00 0.00 34.95 30.30 2rfl s ARG 52 CO 0.08 -0.30 0.76 -1.25 -0.81 0.00 0.00 175.30 173.78 2rfl s PRO 53 N 1.43 3.88 0.02 5.12 0.04 -1.26 -4.95 135.00 139.28 2rfl s PRO 53 Ca 0.03 0.57 -0.23 0.00 0.04 0.00 0.00 61.00 61.42 2rfl s PRO 53 Cb -0.15 -2.40 -0.17 0.00 0.04 0.00 0.00 34.50 31.82 2rfl s PRO 53 CO -0.03 0.04 1.38 -0.44 0.04 0.00 0.00 177.00 177.99 2rfl h ASP 54 N 1.67 0.14 -3.69 6.66 3.32 -1.77 -3.44 116.42 119.30 2rfl h ASP 54 Ca -0.47 -0.40 -0.50 0.00 0.02 0.00 0.00 57.03 55.67 2rfl h ASP 54 Cb 1.18 -0.04 -0.32 0.00 0.22 0.00 0.00 39.33 40.37 2rfl h ASP 54 CO 0.64 0.51 -0.81 -0.22 -1.72 0.00 0.00 179.24 177.64 2rfl s LEU 55 N -9.36 1.77 -0.23 1.55 2.96 -1.10 -3.06 118.68 111.21 2rfl s LEU 55 Ca -0.15 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2rfl s LEU 55 Cb 0.04 -0.79 -0.00 0.00 0.50 0.00 0.00 46.19 45.94 2rfl s LEU 55 CO 0.70 0.08 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.15 2rfl s ILE 56 N 0.32 3.35 -0.29 6.68 1.01 -0.24 -4.30 121.20 127.74 2rfl s ILE 56 Ca -0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2rfl s ILE 56 Cb -0.12 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 2rfl s ILE 56 CO 0.02 0.35 0.15 -0.76 0.00 0.00 0.00 174.94 174.70 2rfl s LEU 57 N 1.46 3.91 0.02 2.97 1.43 -1.26 0.13 118.68 127.34 2rfl s LEU 57 Ca 0.05 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 2rfl s LEU 57 Cb -0.15 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2rfl s LEU 57 CO -0.03 -0.11 -0.22 -0.55 0.23 0.00 0.00 176.35 175.67 2rfl s SER 58 N 1.67 2.64 1.25 2.29 0.15 0.06 -1.54 113.70 120.21 2rfl s SER 58 Ca 0.06 -0.49 -0.16 0.00 0.70 0.00 0.00 55.95 56.06 2rfl s SER 58 Cb -0.16 -0.25 0.31 0.00 -1.71 0.00 0.00 66.02 64.21 2rfl s SER 58 CO 0.07 0.22 1.00 -0.55 1.20 0.00 0.00 173.24 175.18 2rfl s SER 59 N -0.95 0.32 -0.01 5.45 0.15 -0.48 -1.44 113.70 116.74 2rfl s SER 59 Ca 0.09 1.25 0.10 0.00 0.70 0.00 0.00 55.95 58.09 2rfl s SER 59 Cb -0.09 -1.91 -0.14 0.00 -1.71 0.00 0.00 66.02 62.18 2rfl s SER 59 CO 0.01 -4.57 0.35 1.07 1.20 0.00 0.00 173.24 171.30 2rfl n THR 60 N -5.14 0.00 -1.57 6.45 5.66 -1.25 -4.08 114.28 114.34 2rfl n THR 60 Ca 0.06 -0.25 -0.45 0.00 -3.05 0.00 0.00 64.05 60.36 2rfl n THR 60 Cb 0.56 0.67 -0.02 0.00 -1.55 0.00 0.00 70.33 69.99 2rfl n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rfl n ALA 61 N -1.52 -0.49 -0.31 1.79 0.00 -1.26 -4.72 120.51 113.99 2rfl n ALA 61 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.88 2rfl n ALA 61 Cb 0.21 -1.99 0.12 0.00 0.00 0.00 0.00 19.45 17.80 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 2.00 0.59 0.00 0.00 0.00 -0.54 -2.14 119.26 119.17 2rfl h ALA 62 Ca -0.39 0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2rfl h ALA 62 Cb 1.35 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2rfl h ALA 62 CO 0.61 -0.40 -0.21 0.07 0.00 0.00 0.00 179.25 179.32 2rfl h ARG 63 N 0.00 0.00 -0.00 0.00 0.11 -1.82 -1.38 114.38 111.29 2rfl h ARG 63 Ca 0.42 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.43 2rfl h ARG 63 Cb 0.65 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.74 2rfl h ARG 63 CO -0.90 0.21 -0.29 0.00 0.10 0.00 0.00 179.97 179.09 2rfl h ARG 65 N -0.45 -0.09 -0.32 0.00 3.08 -1.28 0.34 114.38 115.65 2rfl h ARG 65 Ca -0.04 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2rfl h ARG 65 Cb 1.04 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 2rfl h ARG 65 CO 0.06 -0.06 -0.34 1.96 -1.07 0.00 0.00 179.97 180.51 2rfl h GLN 66 N -0.09 0.73 -0.54 0.04 4.20 -1.35 0.63 115.11 118.71 2rfl h GLN 66 Ca 0.22 -0.35 0.05 0.00 0.06 0.00 0.00 58.65 58.64 2rfl h GLN 66 Cb 0.43 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 2rfl h GLN 66 CO -0.52 0.96 0.26 1.15 -0.67 0.00 0.00 178.83 180.01 2rfl h THR 67 N 0.61 0.92 -0.14 -0.54 2.02 -1.00 -2.97 112.91 111.80 2rfl h THR 67 Ca 0.06 -0.17 -0.16 0.00 0.77 0.00 0.00 66.41 66.91 2rfl h THR 67 Cb 0.87 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2rfl h THR 67 CO 0.08 0.09 -0.58 0.74 0.37 0.00 0.00 175.52 176.21 2rfl h THR 68 N 0.50 1.34 0.00 3.16 2.02 0.28 -2.70 112.91 117.52 2rfl h THR 68 Ca 0.25 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.55 2rfl h THR 68 Cb 0.18 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2rfl h THR 68 CO -0.19 0.57 -0.01 1.56 0.37 0.00 0.00 175.52 177.83 2rfl h GLN 69 N 0.35 0.00 -0.09 6.66 4.20 0.40 -2.07 115.11 124.55 2rfl h GLN 69 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2rfl h GLN 69 Cb 1.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.91 2rfl h GLN 69 CO 0.10 0.01 -0.68 0.00 -0.67 0.00 0.00 178.83 177.59 2rfl h ALA 70 N 1.99 0.21 -0.16 3.87 0.00 -1.42 -3.16 119.26 120.59 2rfl h ALA 70 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 2rfl h ALA 70 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rfl h ALA 70 CO 0.00 0.52 -0.21 -1.49 0.00 0.00 0.00 179.25 178.07 2rfl h TRP 71 N 0.27 0.30 -0.90 0.00 4.06 -1.46 -2.15 115.95 116.06 2rfl h TRP 71 Ca -0.06 -0.05 0.24 0.00 2.06 0.00 0.00 58.89 61.08 2rfl h TRP 71 Cb 1.33 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 29.37 2rfl h TRP 71 CO 0.11 0.48 0.62 0.37 -3.56 0.00 0.00 178.44 176.46 2rfl h GLN 72 N 0.25 0.14 0.00 0.49 4.15 -1.44 -2.81 115.11 115.90 2rfl h GLN 72 Ca 0.04 -0.01 -0.29 0.00 0.77 0.00 0.00 58.65 59.16 2rfl h GLN 72 Cb 0.52 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 2rfl h GLN 72 CO 0.04 0.09 -1.99 0.54 -1.93 0.00 0.00 178.83 175.58 2rfl n ARG 73 N -4.37 0.66 0.10 1.69 1.74 -0.84 -2.77 116.66 112.87 2rfl n ARG 73 Ca 0.19 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 2rfl n ARG 73 Cb 0.87 -1.66 0.46 0.00 -1.02 0.00 0.00 32.46 31.11 2rfl n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rfl n ALA 74 N -2.60 1.90 0.04 7.54 0.00 -1.00 -3.90 120.51 122.48 2rfl n ALA 74 Ca -0.22 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.27 2rfl n ALA 74 Cb 1.04 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 2rfl n ALA 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rfl n PHE 75 N -2.13 0.00 -3.84 0.00 3.72 -1.06 -4.86 117.46 109.29 2rfl n PHE 75 Ca 0.04 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.20 2rfl n PHE 75 Cb 0.29 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 2rfl n PHE 75 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2rfl n ASN 76 N -1.60 -0.80 0.00 4.37 2.85 -1.11 -4.91 115.26 114.06 2rfl n ASN 76 Ca -0.01 -0.93 0.00 0.00 -0.11 0.00 0.00 54.58 53.53 2rfl n ASN 76 Cb 0.13 -3.48 0.00 0.00 1.24 0.00 0.00 39.78 37.68 2rfl n ASN 76 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rfl n GLY 78 N -1.81 0.78 3.61 8.20 0.00 -1.26 -5.06 105.19 109.64 2rfl n GLY 78 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.93 -0.29 -0.61 1.01 -1.26 -5.02 121.20 116.96 2rfl s ILE 79 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 2rfl s ILE 79 Cb 0.00 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 40.09 2rfl s ILE 79 CO 0.00 0.00 0.06 -0.62 0.00 0.00 0.00 174.94 174.38 2rfl s ASP 80 N -3.30 5.03 -0.20 3.58 2.15 -1.17 -5.07 116.67 117.69 2rfl s ASP 80 Ca 0.67 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.96 2rfl s ASP 80 Cb -0.19 -1.86 0.04 0.00 -0.30 0.00 0.00 42.92 40.62 2rfl s ASP 80 CO 0.59 -0.18 -0.11 -0.63 -0.17 0.00 0.00 175.17 174.68 2rfl s ILE 81 N 1.48 1.71 -0.06 4.11 1.01 -1.26 -1.08 121.20 127.10 2rfl s ILE 81 Ca 0.02 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 59.66 2rfl s ILE 81 Cb -0.17 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2rfl s ILE 81 CO 0.02 0.17 -0.21 -0.69 0.00 0.00 0.00 174.94 174.23 2rfl s VAL 82 N 1.37 2.44 -0.29 2.92 1.01 0.12 -5.01 120.40 122.96 2rfl s VAL 82 Ca -0.02 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2rfl s VAL 82 Cb -0.16 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2rfl s VAL 82 CO -0.08 0.57 0.12 -0.31 0.00 0.00 0.00 175.10 175.39 2rfl s TYR 83 N -0.24 3.14 -0.26 5.22 2.02 -1.26 -0.76 117.35 125.21 2rfl s TYR 83 Ca -0.01 -0.54 -0.00 0.00 -0.37 0.00 0.00 57.07 56.15 2rfl s TYR 83 Cb -0.13 -2.30 0.04 0.00 -0.40 0.00 0.00 41.96 39.17 2rfl s TYR 83 CO 0.03 -0.42 -0.07 0.42 -1.57 0.00 0.00 175.55 173.94 2rfl s ILE 84 N 1.61 2.66 0.41 2.71 1.09 -0.52 -4.97 121.20 124.19 2rfl s ILE 84 Ca 0.05 -1.25 0.20 0.00 -1.10 0.00 0.00 60.65 58.55 2rfl s ILE 84 Cb -0.16 -2.43 0.40 0.00 -1.06 0.00 0.00 42.46 39.21 2rfl s ILE 84 CO 0.05 0.10 1.79 0.44 -0.10 0.00 0.00 174.94 177.22 2rfl h ASP 85 N 7.94 0.40 0.00 3.58 5.19 -1.94 -3.35 116.42 128.25 2rfl h ASP 85 Ca -0.28 0.07 -0.28 0.00 -0.62 0.00 0.00 57.03 55.92 2rfl h ASP 85 Cb 1.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 2rfl h ASP 85 CO 0.54 0.09 1.11 -0.62 -3.12 0.00 0.00 179.24 177.25 2rfl n GLU 86 N -4.57 2.02 -0.69 3.56 -0.58 -1.26 -4.77 120.64 114.35 2rfl n GLU 86 Ca 0.24 -1.16 0.00 0.00 -0.42 0.00 0.00 57.16 55.82 2rfl n GLU 86 Cb 0.87 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 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 3.12 0.00 -2.90 -0.32 9.36 -1.26 -4.39 117.16 120.78 2rfl n TYR 88 Ca 0.43 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.62 2rfl n TYR 88 Cb 0.50 -0.24 0.02 0.00 -0.63 0.00 0.00 39.34 38.98 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 1.00 -6.78 -4.49 2.98 3.02 -1.26 -5.06 115.26 104.67 2rfl n ASN 89 Ca 0.00 -0.21 -0.24 0.00 -0.03 0.00 0.00 54.58 54.10 2rfl n ASN 89 Cb 0.00 -4.71 -0.10 0.00 -0.61 0.00 0.00 39.78 34.36 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 -3.09 2.68 0.23 5.41 0.00 -1.26 -5.16 121.76 120.57 2rfl s ALA 90 Ca 0.11 -2.01 0.01 0.00 0.00 0.00 0.00 51.96 50.06 2rfl s ALA 90 Cb -0.01 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2rfl s ALA 90 CO 0.65 0.00 0.14 0.54 0.00 0.00 0.00 175.76 177.09 2rfl n ARG 91 N -0.70 0.76 0.08 0.00 5.12 -1.26 -4.61 116.66 116.05 2rfl n ARG 91 Ca -0.05 -0.46 -0.11 0.00 -1.93 0.00 0.00 57.85 55.30 2rfl n ARG 91 Cb 0.64 -0.06 -0.11 0.00 -1.16 0.00 0.00 32.46 31.76 2rfl n ARG 91 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2rfl h SER 92 N -0.03 0.21 -1.10 0.55 0.02 -1.92 -3.00 113.55 108.29 2rfl h SER 92 Ca -0.05 -0.22 0.31 0.00 -0.84 0.00 0.00 61.79 61.00 2rfl h SER 92 Cb 0.19 -0.07 -0.11 0.00 0.14 0.00 0.00 62.40 62.55 2rfl h SER 92 CO 0.06 1.14 0.70 -0.33 -1.14 0.00 0.00 176.83 177.26 2rfl h GLU 93 N 0.05 0.31 -0.08 3.45 5.08 -1.94 -2.33 114.58 119.12 2rfl h GLU 93 Ca -0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2rfl h GLU 93 Cb 1.80 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 2rfl h GLU 93 CO 0.16 0.21 -0.02 0.00 -1.00 0.00 0.00 179.01 178.35 2rfl h THR 94 N 0.32 1.30 -0.17 1.13 1.03 -1.92 -2.30 112.91 112.30 2rfl h THR 94 Ca 0.66 -0.97 -0.01 0.00 -0.01 0.00 0.00 66.41 66.08 2rfl h THR 94 Cb 1.77 1.80 -0.01 0.00 -1.07 0.00 0.00 68.15 70.64 2rfl h THR 94 CO -0.36 0.27 0.07 1.88 -0.01 0.00 0.00 175.52 177.36 2rfl h TYR 95 N -0.20 0.27 -0.23 0.00 -1.99 -1.62 -2.62 116.97 110.58 2rfl h TYR 95 Ca 0.02 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.77 2rfl h TYR 95 Cb 0.44 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 39.05 2rfl h TYR 95 CO 0.06 0.34 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.48 2rfl h LEU 96 N 0.12 -0.12 -1.99 3.88 3.38 -1.48 -1.20 115.31 117.91 2rfl h LEU 96 Ca 0.06 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.18 2rfl h LEU 96 Cb 0.19 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2rfl h LEU 96 CO -0.00 -0.03 0.24 0.28 0.09 0.00 0.00 178.44 179.02 2rfl h SER 97 N 0.06 0.01 0.92 -0.43 0.02 -1.39 -1.61 113.55 111.12 2rfl h SER 97 Ca 0.11 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.86 2rfl h SER 97 Cb 0.15 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2rfl h SER 97 CO -0.20 0.01 -0.95 -0.07 -1.14 0.00 0.00 176.83 174.48 2rfl h LEU 98 N 0.01 0.03 0.46 5.07 3.38 -0.88 -2.65 115.31 120.72 2rfl h LEU 98 Ca 0.16 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2rfl h LEU 98 Cb 0.62 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2rfl h LEU 98 CO -0.00 0.96 -0.22 0.40 0.09 0.00 0.00 178.44 179.67 2rfl h ILE 99 N 0.01 0.00 -0.00 1.22 2.04 -0.60 -3.32 117.51 116.86 2rfl h ILE 99 Ca -0.02 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2rfl h ILE 99 Cb 1.67 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2rfl h ILE 99 CO 0.13 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.28 2rfl h ALA 100 N -1.57 1.21 0.00 1.87 0.00 -1.38 -2.44 119.26 116.95 2rfl h ALA 100 Ca -0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2rfl h ALA 100 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2rfl h ALA 100 CO 0.10 -0.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.97 2rfl h ALA 101 N 1.99 1.25 -1.35 0.00 0.00 -1.56 -3.38 119.26 116.21 2rfl h ALA 101 Ca 0.00 -0.34 -0.77 0.00 0.00 0.00 0.00 54.91 53.81 2rfl h ALA 101 Cb 0.01 -0.06 -0.19 0.00 0.00 0.00 0.00 17.79 17.55 2rfl h ALA 101 CO -0.00 0.47 1.57 1.04 0.00 0.00 0.00 179.25 182.33 2rfl n GLN 102 N -3.89 3.73 0.11 0.00 1.13 -0.92 -4.77 117.38 112.77 2rfl n GLN 102 Ca -0.01 -3.84 0.13 0.00 -1.94 0.00 0.00 57.00 51.34 2rfl n GLN 102 Cb 0.43 -2.85 0.39 0.00 0.11 0.00 0.00 30.24 28.32 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 3.85 0.00 -0.54 5.09 1.35 -1.81 -2.79 112.91 118.06 2rfl h THR 103 Ca 0.33 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2rfl h THR 103 Cb 0.69 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2rfl h THR 103 CO 1.46 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 176.11 2rfl n GLU 104 N -2.31 3.44 -4.74 4.72 1.02 -1.26 -4.72 120.64 116.79 2rfl n GLU 104 Ca 0.05 -2.73 -0.33 0.00 -0.02 0.00 0.00 57.16 54.13 2rfl n GLU 104 Cb 0.44 -1.77 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.82 3.09 0.01 2.62 1.01 -1.05 -5.02 120.40 119.24 2rfl s VAL 105 Ca 0.45 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 2rfl s VAL 105 Cb 0.29 -2.30 -0.20 0.00 0.00 0.00 0.00 36.38 34.17 2rfl s VAL 105 CO 0.21 0.52 1.17 -0.61 0.00 0.00 0.00 175.10 176.39 2rfl h GLN 106 N 6.73 0.40 -4.33 2.72 4.15 -1.93 -3.22 115.11 119.63 2rfl h GLN 106 Ca -0.26 -0.35 -0.39 0.00 0.77 0.00 0.00 58.65 58.42 2rfl h GLN 106 Cb 1.21 0.08 -0.31 0.00 0.21 0.00 0.00 27.48 28.67 2rfl h GLN 106 CO 0.56 1.00 -0.77 -1.54 -1.93 0.00 0.00 178.83 176.15 2rfl s SER 107 N -6.56 0.92 0.00 -0.69 1.04 -1.26 -0.93 113.70 106.22 2rfl s SER 107 Ca -0.14 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2rfl s SER 107 Cb 0.04 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2rfl s SER 107 CO 0.80 0.03 0.00 0.55 0.98 0.00 0.00 173.24 175.60 2rfl n VAL 108 N 3.40 0.00 -3.68 5.02 3.14 -0.43 -1.98 118.33 123.79 2rfl n VAL 108 Ca -0.19 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.09 2rfl n VAL 108 Cb 0.54 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.23 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 -0.25 -0.26 6.55 1.43 -0.51 -0.87 118.68 124.77 2rfl s LEU 110 Ca 0.00 1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 54.11 2rfl s LEU 110 Cb 0.00 1.63 0.01 0.00 0.03 0.00 0.00 46.19 47.87 2rfl s LEU 110 CO 0.00 -0.20 0.00 -0.69 0.23 0.00 0.00 176.35 175.69 2rfl s VAL 111 N 1.27 3.39 0.00 -1.59 1.01 -0.59 0.38 120.40 124.27 2rfl s VAL 111 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2rfl s VAL 111 Cb -0.07 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2rfl s VAL 111 CO -0.12 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2rfl n GLY 112 N 4.77 2.50 3.73 4.51 0.00 0.04 -1.38 105.19 119.35 2rfl n GLY 112 Ca -0.16 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 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 -6.95 3.00 0.57 1.61 3.76 -1.26 -1.62 115.29 114.39 2rfl s HIS 113 Ca 0.00 -0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 54.69 2rfl s HIS 113 Cb 0.00 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.19 2rfl s HIS 113 CO 0.00 0.52 1.02 -0.80 -0.85 0.00 0.00 174.74 174.63 2rfl s ASN 114 N -3.01 6.20 0.00 1.40 0.01 -1.26 -1.89 114.94 116.39 2rfl s ASN 114 Ca 0.29 1.64 0.19 0.00 -0.71 0.00 0.00 52.86 54.27 2rfl s ASN 114 Cb -0.10 -2.51 0.87 0.00 0.41 0.00 0.00 41.25 39.92 2rfl s ASN 114 CO 0.21 -0.88 1.59 -0.81 -1.51 0.00 0.00 177.10 175.70 2rfl n PRO 115 N -1.98 1.41 0.00 -0.60 -0.04 -1.26 -5.02 135.00 127.50 2rfl n PRO 115 Ca 0.07 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 2rfl n PRO 115 Cb 0.54 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2rfl n PRO 115 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2rfl n THR 116 N -0.16 0.06 0.00 0.52 -1.04 -0.79 -0.38 114.28 112.49 2rfl n THR 116 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2rfl n THR 116 Cb 0.21 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 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 0.50 0.00 0.21 -2.82 2.13 -1.26 -0.64 120.64 118.76 2rfl n GLU 118 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 2rfl n GLU 118 Cb 0.07 0.00 0.42 0.00 0.27 0.00 0.00 31.44 32.21 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 1.02 -0.10 4.31 0.00 -1.10 -1.87 119.26 121.52 2rfl h ALA 119 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2rfl h ALA 119 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2rfl h ALA 119 CO 0.00 0.34 0.03 1.15 0.00 0.00 0.00 179.25 180.77 2rfl h THR 120 N 0.00 1.17 -0.60 0.00 2.02 -1.12 -1.87 112.91 112.51 2rfl h THR 120 Ca -0.00 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 2rfl h THR 120 Cb 0.79 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2rfl h THR 120 CO 0.04 0.15 0.18 0.25 0.37 0.00 0.00 175.52 176.50 2rfl h LEU 121 N -0.02 0.84 -1.13 2.58 6.46 -1.79 -2.56 115.31 119.70 2rfl h LEU 121 Ca 0.03 -0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.57 2rfl h LEU 121 Cb 0.20 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 2rfl h LEU 121 CO -0.00 0.80 -0.25 -0.08 -0.62 0.00 0.00 178.44 178.29 2rfl h GLU 122 N 0.88 0.30 -1.19 1.25 4.81 -1.27 -0.06 114.58 119.30 2rfl h GLU 122 Ca 0.20 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2rfl h GLU 122 Cb 0.27 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2rfl h GLU 122 CO -0.01 0.54 0.00 0.00 -0.73 0.00 0.00 179.01 178.81 2rfl n ALA 123 N -2.48 2.41 -0.02 2.92 0.00 -0.71 -1.36 120.51 121.27 2rfl n ALA 123 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.48 2rfl n ALA 123 Cb 0.37 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 0.62 0.00 0.00 0.00 -5.35 -0.03 -5.09 119.36 109.51 2rfl n ILE 125 Ca 0.00 0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.76 2rfl n ILE 125 Cb 0.43 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 -0.93 1.54 0.16 3.28 0.00 -0.46 -4.45 105.19 104.33 2rfl n GLY 126 Ca 0.04 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.89 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 0.53 0.19 1.61 -0.00 -1.94 -2.30 114.58 112.67 2rfl h GLU 127 Ca 0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 59.36 58.72 2rfl h GLU 127 Cb 0.00 0.20 -0.04 0.00 -0.00 0.00 0.00 28.75 28.92 2rfl h GLU 127 CO 0.00 1.26 -0.46 -0.44 -0.00 0.00 0.00 179.01 179.37 2rfl h ASP 128 N 0.26 -1.35 -0.60 3.06 5.19 -1.96 0.18 116.42 121.20 2rfl h ASP 128 Ca -0.14 0.13 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 2rfl h ASP 128 Cb 1.77 0.48 -0.04 0.00 0.18 0.00 0.00 39.33 41.73 2rfl h ASP 128 CO 0.20 -0.51 0.40 -0.07 -3.12 0.00 0.00 179.24 176.14 2rfl h LEU 129 N -0.72 0.52 0.72 1.55 3.38 -1.78 -1.13 115.31 117.85 2rfl h LEU 129 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2rfl h LEU 129 Cb 0.69 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2rfl h LEU 129 CO -0.20 0.34 -0.34 0.25 0.09 0.00 0.00 178.44 178.58 2rfl h LEU 130 N 0.60 -0.81 -1.04 1.67 5.85 -0.80 0.84 115.31 121.62 2rfl h LEU 130 Ca 0.26 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 2rfl h LEU 130 Cb 0.26 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2rfl h LEU 130 CO -0.08 -0.52 0.30 1.12 -0.34 0.00 0.00 178.44 178.92 2rfl h HIS 131 N -1.06 0.99 0.33 1.25 2.07 -0.41 2.09 115.15 120.41 2rfl h HIS 131 Ca -0.10 -0.05 -0.02 0.00 -2.85 0.00 0.00 60.37 57.36 2rfl h HIS 131 Cb 0.76 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 30.44 2rfl h HIS 131 CO -0.01 0.74 -0.16 0.00 -3.07 0.00 0.00 177.93 175.43 2rfl h ALA 132 N 1.35 -0.44 0.01 6.11 0.00 -1.21 -3.21 119.26 121.88 2rfl h ALA 132 Ca 0.23 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2rfl h ALA 132 Cb 0.15 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2rfl h ALA 132 CO -0.03 -0.74 -0.86 0.00 0.00 0.00 0.00 179.25 177.62 2rfl h ALA 133 N 0.23 0.57 -2.83 0.00 0.00 -0.34 -3.42 119.26 113.47 2rfl h ALA 133 Ca -0.04 -0.75 -0.59 0.00 0.00 0.00 0.00 54.91 53.53 2rfl h ALA 133 Cb 0.34 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 2rfl h ALA 133 CO 0.07 0.99 -0.79 -0.51 0.00 0.00 0.00 179.25 179.02 2rfl s LEU 134 N -7.23 1.78 -0.00 0.00 1.43 0.70 -5.04 118.68 110.32 2rfl s LEU 134 Ca -0.01 -2.23 -0.24 0.00 -1.03 0.00 0.00 54.13 50.61 2rfl s LEU 134 Cb 0.11 -0.70 -0.17 0.00 0.03 0.00 0.00 46.19 45.46 2rfl s LEU 134 CO 0.81 -0.31 1.20 -0.65 0.23 0.00 0.00 176.35 177.62 2rfl h PRO 135 N 7.13 -0.30 -0.35 1.29 0.11 -1.78 -2.92 132.00 135.17 2rfl h PRO 135 Ca -0.01 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2rfl h PRO 135 Cb 0.96 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2rfl h PRO 135 CO 0.39 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.09 2rfl n SER 136 N -5.06 1.84 0.00 -2.05 3.41 -1.26 -5.01 113.62 105.49 2rfl n SER 136 Ca -0.09 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 2rfl n SER 136 Cb 0.25 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 1.01 -1.34 3.61 5.00 0.00 -1.10 -4.92 105.19 107.45 2rfl n GLY 137 Ca 0.11 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 3.12 0.73 1.61 2.19 -1.26 -4.83 117.98 119.54 2rfl s PHE 138 Ca 0.00 0.80 -0.11 0.00 0.33 0.00 0.00 56.93 57.95 2rfl s PHE 138 Cb 0.00 -3.51 0.03 0.00 -1.31 0.00 0.00 43.02 38.23 2rfl s PHE 138 CO 0.00 -0.74 1.07 -2.14 1.83 0.00 0.00 175.22 175.24 2rfl s PRO 139 N 3.31 2.68 0.18 10.12 0.02 -1.26 -4.98 135.00 145.07 2rfl s PRO 139 Ca 0.36 0.90 -0.31 0.00 0.02 0.00 0.00 61.00 61.97 2rfl s PRO 139 Cb -0.13 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 2rfl s PRO 139 CO 0.16 -1.27 1.46 0.95 -0.33 0.00 0.00 177.00 177.98 2rfl s THR 140 N -3.06 2.85 -1.78 0.99 -4.23 -1.26 -2.20 115.64 106.95 2rfl s THR 140 Ca 0.59 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.75 2rfl s THR 140 Cb -0.14 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.28 2rfl s THR 140 CO 0.55 0.07 0.00 -0.24 -0.54 0.00 0.00 174.62 174.46 2rfl n SER 141 N 3.28 -5.23 -4.77 3.99 2.88 -0.12 -4.55 113.62 109.10 2rfl n SER 141 Ca 0.10 0.26 -0.39 0.00 -1.33 0.00 0.00 58.87 57.51 2rfl n SER 141 Cb 0.40 -4.32 -0.05 0.00 -0.75 0.00 0.00 64.21 59.49 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 -2.55 2.96 -0.18 0.46 0.00 -0.93 -4.47 107.32 102.61 2rfl s GLY 142 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.42 2rfl s GLY 142 CO 0.00 1.22 -0.13 -2.27 0.00 0.00 0.00 173.10 171.92 2rfl s LEU 143 N -1.71 2.06 -0.06 0.66 2.96 0.21 -2.76 118.68 120.03 2rfl s LEU 143 Ca 0.47 -0.71 -0.12 0.00 -0.22 0.00 0.00 54.13 53.55 2rfl s LEU 143 Cb -0.25 -1.25 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 2rfl s LEU 143 CO 0.32 -0.09 0.31 0.00 -1.32 0.00 0.00 176.35 175.56 2rfl s ALA 144 N 1.41 3.74 -0.19 5.97 0.00 0.06 -1.97 121.76 130.78 2rfl s ALA 144 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2rfl s ALA 144 Cb -0.15 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.75 2rfl s ALA 144 CO -0.10 0.46 -0.13 0.08 0.00 0.00 0.00 175.76 176.07 2rfl s VAL 145 N -0.81 1.76 -0.03 0.00 1.01 -1.06 0.16 120.40 121.42 2rfl s VAL 145 Ca 0.20 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2rfl s VAL 145 Cb -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2rfl s VAL 145 CO 0.09 0.30 -0.11 -0.76 0.00 0.00 0.00 175.10 174.61 2rfl s LEU 146 N 1.37 1.80 0.00 3.92 1.02 0.31 -2.13 118.68 124.97 2rfl s LEU 146 Ca 0.01 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 53.96 2rfl s LEU 146 Cb -0.15 -0.69 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 2rfl s LEU 146 CO -0.09 0.08 -0.12 -1.81 0.02 0.00 0.00 176.35 174.42 2rfl s ASP 147 N 0.21 4.19 0.27 2.29 1.01 -0.30 0.31 116.67 124.65 2rfl s ASP 147 Ca -0.04 -0.25 -0.31 0.00 0.71 0.00 0.00 52.55 52.66 2rfl s ASP 147 Cb -0.10 -0.86 -0.12 0.00 1.01 0.00 0.00 42.92 42.85 2rfl s ASP 147 CO 0.01 0.29 1.62 0.00 0.21 0.00 0.00 175.17 177.30 2rfl n GLN 148 N 1.74 2.69 0.00 8.23 6.02 -0.74 0.19 117.38 135.51 2rfl n GLN 148 Ca -0.16 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 2rfl n GLN 148 Cb 0.52 -2.75 0.00 0.00 1.02 0.00 0.00 30.24 29.03 2rfl n GLN 148 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2rfl n ASP 149 N 2.56 0.00 -0.11 1.08 2.03 -1.26 -4.72 116.55 116.12 2rfl n ASP 149 Ca 0.10 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.29 2rfl n ASP 149 Cb 0.36 -0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.54 2rfl n ASP 149 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2rfl h ARG 158 N 0.00 0.67 -5.39 -0.67 2.43 -1.99 -3.49 114.38 105.93 2rfl h ARG 158 Ca 0.00 -0.29 -0.44 0.00 -0.81 0.00 0.00 59.98 58.44 2rfl h ARG 158 Cb 0.00 -0.02 -0.23 0.00 -0.42 0.00 0.00 29.97 29.30 2rfl h ARG 158 CO 0.00 0.88 -0.79 -1.58 -1.51 0.00 0.00 179.97 176.97 2rfl s TRP 159 N -4.64 1.26 -0.14 2.20 0.52 -1.26 -5.01 118.94 111.88 2rfl s TRP 159 Ca -0.13 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.60 2rfl s TRP 159 Cb 0.09 -0.73 -0.00 0.00 -1.15 0.00 0.00 33.47 31.68 2rfl s TRP 159 CO 0.81 0.06 -0.18 1.03 0.02 0.00 0.00 176.95 178.68 2rfl s ARG 160 N -1.47 3.16 -0.43 4.98 0.52 0.13 -4.86 118.95 120.98 2rfl s ARG 160 Ca 0.00 -0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 54.23 2rfl s ARG 160 Cb -0.09 -2.51 0.02 0.00 0.52 0.00 0.00 34.95 32.89 2rfl s ARG 160 CO 0.02 0.08 0.55 -1.17 0.02 0.00 0.00 175.30 174.80 2rfl s LEU 161 N 0.63 4.65 -0.02 2.53 2.96 -1.26 -1.15 118.68 127.02 2rfl s LEU 161 Ca -0.10 -0.47 0.16 0.00 -0.22 0.00 0.00 54.13 53.50 2rfl s LEU 161 Cb -0.16 -2.58 -0.23 0.00 0.50 0.00 0.00 46.19 43.71 2rfl s LEU 161 CO 0.02 -0.69 0.40 2.30 -1.32 0.00 0.00 176.35 177.06 2rfl n ILE 162 N 5.67 0.00 -3.60 6.68 -5.35 -0.91 -4.97 119.36 116.88 2rfl n ILE 162 Ca -0.04 -0.33 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 2rfl n ILE 162 Cb 0.48 0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 38.60 2rfl n ILE 162 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2rfl s ASP 163 N -3.60 -0.39 -0.15 7.28 -1.08 -1.25 -5.07 116.67 112.41 2rfl s ASP 163 Ca -0.04 0.10 -0.04 0.00 -0.52 0.00 0.00 52.55 52.04 2rfl s ASP 163 Cb 0.10 0.47 0.07 0.00 -1.46 0.00 0.00 42.92 42.11 2rfl s ASP 163 CO 0.65 -0.72 0.25 0.12 0.52 0.00 0.00 175.17 175.99 2rfl s PHE 164 N -2.56 -0.38 -0.23 -5.34 2.19 -1.26 -2.56 117.98 107.85 2rfl s PHE 164 Ca -0.05 0.72 -0.14 0.00 0.33 0.00 0.00 56.93 57.80 2rfl s PHE 164 Cb -0.01 -0.15 -0.04 0.00 -1.31 0.00 0.00 43.02 41.52 2rfl s PHE 164 CO -0.03 -0.43 0.32 -0.51 1.83 0.00 0.00 175.22 176.41 2rfl s LEU 165 N 2.39 4.12 0.54 6.12 1.43 -0.83 -4.92 118.68 127.52 2rfl s LEU 165 Ca 0.04 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 2rfl s LEU 165 Cb -0.13 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.74 2rfl s LEU 165 CO -0.09 -0.06 0.39 0.00 0.23 0.00 0.00 176.35 176.81 2rfl s ALA 166 N 1.40 4.39 -2.03 4.21 0.00 -1.26 0.66 121.76 129.13 2rfl s ALA 166 Ca 0.15 -1.27 0.32 0.00 0.00 0.00 0.00 51.96 51.16 2rfl s ALA 166 Cb -0.15 -0.71 1.85 0.00 0.00 0.00 0.00 23.12 24.12 2rfl s ALA 166 CO 0.07 -0.42 2.20 -2.30 0.00 0.00 0.00 175.76 175.31