#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bcc s ARG 11 N 0.00 2.05 0.00 -1.46 1.81 -1.26 -5.09 118.95 115.01 1bcc s ARG 11 Ca 0.00 -1.65 -0.39 0.00 -1.72 0.00 0.00 55.73 51.98 1bcc s ARG 11 Cb 0.00 -3.38 -0.18 0.00 -0.45 0.00 0.00 34.95 30.94 1bcc s ARG 11 CO 0.00 -0.90 1.28 0.91 -0.68 0.00 0.00 175.30 175.92 1bcc n TRP 12 N 4.54 1.25 0.16 -0.53 5.03 -1.26 -4.82 117.44 121.81 1bcc n TRP 12 Ca -0.05 0.80 0.03 0.00 3.03 0.00 0.00 57.50 61.32 1bcc n TRP 12 Cb 0.42 -2.25 0.42 0.00 -1.03 0.00 0.00 31.31 28.87 1bcc n TRP 12 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 1bcc h LEU 13 N 4.20 0.14 -1.32 -0.99 4.07 -1.98 0.23 115.31 119.67 1bcc h LEU 13 Ca -0.49 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.44 1bcc h LEU 13 Cb 1.37 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 43.04 1bcc h LEU 13 CO 0.75 0.33 0.40 -0.08 -1.08 0.00 0.00 178.44 178.76 1bcc h GLU 14 N 0.14 0.86 -0.23 1.13 4.57 -1.99 1.24 114.58 120.31 1bcc h GLU 14 Ca 0.03 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 1bcc h GLU 14 Cb 0.39 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1bcc h GLU 14 CO 0.03 0.59 -0.21 0.78 -1.18 0.00 0.00 179.01 179.02 1bcc h GLY 15 N 0.91 0.59 0.59 1.92 0.00 -0.98 -3.05 103.07 103.05 1bcc h GLY 15 Ca 0.23 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1bcc h GLY 15 CO -0.05 0.54 -0.28 -2.22 0.00 0.00 0.00 176.54 174.53 1bcc h ILE 16 N 0.24 0.00 -1.00 2.60 2.04 0.15 -2.26 117.51 119.28 1bcc h ILE 16 Ca 0.04 -0.06 0.32 0.00 1.00 0.00 0.00 64.86 66.16 1bcc h ILE 16 Cb 0.76 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.65 1bcc h ILE 16 CO 0.05 0.00 0.18 0.03 0.00 0.00 0.00 178.15 178.41 1bcc h ARG 17 N -0.85 0.00 -0.36 2.37 3.08 0.14 2.13 114.38 120.90 1bcc h ARG 17 Ca -0.08 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1bcc h ARG 17 Cb 0.61 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1bcc h ARG 17 CO 0.13 0.00 -0.16 0.87 -1.07 0.00 0.00 179.97 179.74 1bcc h LYS 18 N 0.00 0.65 0.95 0.04 1.57 -1.48 0.55 116.57 118.86 1bcc h LYS 18 Ca 0.68 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 59.19 1bcc h LYS 18 Cb 1.55 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.82 1bcc h LYS 18 CO -0.89 0.79 -0.46 2.35 -0.57 0.00 0.00 179.45 180.67 1bcc h TRP 19 N 0.59 -1.19 -0.55 -1.35 2.91 0.40 -2.51 115.95 114.25 1bcc h TRP 19 Ca 0.10 -0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.17 1bcc h TRP 19 Cb 0.61 0.39 -0.07 0.00 -0.51 0.00 0.00 29.16 29.59 1bcc h TRP 19 CO 0.03 -0.74 0.18 -0.92 -1.03 0.00 0.00 178.44 175.95 1bcc h TYR 20 N -1.31 0.30 -0.06 2.65 3.20 -0.71 0.33 116.97 121.38 1bcc h TYR 20 Ca -0.13 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.80 1bcc h TYR 20 Cb 0.98 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 1bcc h TYR 20 CO -0.00 0.07 -0.47 -0.92 -1.64 0.00 0.00 178.16 175.19 1bcc h TYR 21 N 0.34 -1.36 0.00 -3.82 5.03 -0.81 1.11 116.97 117.45 1bcc h TYR 21 Ca 0.27 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.61 1bcc h TYR 21 Cb 0.34 0.60 -0.00 0.00 1.55 0.00 0.00 36.73 39.22 1bcc h TYR 21 CO -0.19 -0.52 -0.11 -0.91 -1.32 0.00 0.00 178.16 175.11 1bcc h ASN 22 N -0.58 0.00 0.04 -2.11 2.35 -1.05 -2.87 115.58 111.37 1bcc h ASN 22 Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1bcc h ASN 22 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1bcc h ASN 22 CO -0.37 0.11 -0.02 0.00 -1.65 0.00 0.00 177.43 175.50 1bcc h ALA 23 N 1.89 -0.05 -0.21 -0.83 0.00 0.38 -3.30 119.26 117.12 1bcc h ALA 23 Ca -0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1bcc h ALA 23 Cb 0.36 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1bcc h ALA 23 CO 0.01 -0.23 -0.52 0.00 0.00 0.00 0.00 179.25 178.51 1bcc h ALA 24 N 0.26 -0.83 0.00 0.00 0.00 0.12 -3.47 119.26 115.34 1bcc h ALA 24 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bcc h ALA 24 Cb 0.58 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1bcc h ALA 24 CO 0.01 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 178.63 1bcc n GLY 25 N -1.39 0.68 0.00 0.00 0.00 -1.12 -4.93 105.19 98.43 1bcc n GLY 25 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 1bcc n GLY 25 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1bcc n PHE 26 N -2.05 0.00 -0.02 1.61 1.16 -1.26 -1.12 117.46 115.78 1bcc n PHE 26 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.66 1bcc n PHE 26 Cb 0.00 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 37.72 1bcc n PHE 26 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1bcc n ASN 27 N -0.64 0.56 0.19 5.98 6.94 -1.26 -3.07 115.26 123.96 1bcc n ASN 27 Ca 0.02 0.00 0.14 0.00 -0.02 0.00 0.00 54.58 54.72 1bcc n ASN 27 Cb 0.01 1.78 0.64 0.00 -2.36 0.00 0.00 39.78 39.85 1bcc n ASN 27 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1bcc h LYS 28 N 0.00 0.00 0.00 -3.83 1.57 -1.48 0.27 116.57 113.09 1bcc h LYS 28 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1bcc h LYS 28 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1bcc h LYS 28 CO 0.00 0.00 -0.75 0.66 -0.57 0.00 0.00 179.45 178.79 1bcc n TYR 29 N -2.52 0.14 -0.46 -1.35 4.01 -1.26 -1.55 117.16 114.17 1bcc n TYR 29 Ca 0.00 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1bcc n TYR 29 Cb 0.18 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1bcc n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bcc n GLY 30 N 1.44 0.75 3.57 2.72 0.00 0.94 -4.50 105.19 110.12 1bcc n GLY 30 Ca 0.04 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1bcc n GLY 30 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bcc s LEU 31 N 0.00 3.07 0.94 0.99 2.34 -1.17 -4.89 118.68 119.95 1bcc s LEU 31 Ca 0.00 -0.21 -0.11 0.00 0.06 0.00 0.00 54.13 53.87 1bcc s LEU 31 Cb 0.00 -1.77 0.16 0.00 -0.56 0.00 0.00 46.19 44.01 1bcc s LEU 31 CO 0.00 0.27 1.10 -0.04 -1.06 0.00 0.00 176.35 176.62 1bcc s MET 32 N -1.48 0.85 0.11 1.48 -1.94 -1.26 -4.30 119.30 112.77 1bcc s MET 32 Ca 0.17 1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 54.96 1bcc s MET 32 Cb -0.11 -1.74 -0.09 0.00 2.01 0.00 0.00 34.83 34.90 1bcc s MET 32 CO 0.08 -2.60 1.61 -0.09 -0.01 0.00 0.00 175.02 174.00 1bcc h ARG 33 N -1.82 -0.57 -0.01 2.03 2.43 -1.92 0.41 114.38 114.93 1bcc h ARG 33 Ca -0.49 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1bcc h ARG 33 Cb 1.28 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1bcc h ARG 33 CO 0.49 -0.38 0.23 -0.44 -1.51 0.00 0.00 179.97 178.37 1bcc h ASP 34 N -0.59 0.00 0.00 -3.80 5.19 -1.92 0.67 116.42 115.98 1bcc h ASP 34 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1bcc h ASP 34 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1bcc h ASP 34 CO -0.20 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.39 1bcc n ASP 35 N -2.97 0.00 0.00 6.45 8.00 0.13 -3.24 116.55 124.92 1bcc n ASP 35 Ca -0.02 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1bcc n ASP 35 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1bcc n ASP 35 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bcc n THR 36 N -0.75 0.00 -1.69 -3.53 -2.24 0.23 -4.94 114.28 101.36 1bcc n THR 36 Ca 0.09 -0.30 -0.44 0.00 -2.27 0.00 0.00 64.05 61.13 1bcc n THR 36 Cb 0.04 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1bcc n THR 36 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1bcc n ILE 37 N -0.93 0.46 -1.83 2.28 -5.35 -1.20 -4.85 119.36 107.94 1bcc n ILE 37 Ca 0.00 -0.11 -0.42 0.00 -0.27 0.00 0.00 62.75 61.95 1bcc n ILE 37 Cb 0.00 -1.64 -0.03 0.00 -1.74 0.00 0.00 39.64 36.23 1bcc n ILE 37 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1bcc s TYR 38 N 0.50 2.83 -0.79 4.28 5.04 -1.26 -4.89 117.35 123.05 1bcc s TYR 38 Ca 0.73 0.41 -0.18 0.00 -2.44 0.00 0.00 57.07 55.59 1bcc s TYR 38 Cb -0.62 -4.04 -0.13 0.00 0.35 0.00 0.00 41.96 37.52 1bcc s TYR 38 CO 0.42 -3.98 1.96 0.39 -1.34 0.00 0.00 175.55 173.00 1bcc n GLU 39 N 4.34 1.62 0.00 4.97 1.02 -1.26 -4.80 120.64 126.53 1bcc n GLU 39 Ca 0.15 -1.73 0.00 0.00 -0.02 0.00 0.00 57.16 55.57 1bcc n GLU 39 Cb 0.37 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 1bcc n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1bcc n ASN 40 N 6.63 -0.15 -0.17 1.62 0.23 -1.26 -4.69 115.26 117.48 1bcc n ASN 40 Ca 0.48 -0.87 -0.02 0.00 -0.53 0.00 0.00 54.58 53.64 1bcc n ASN 40 Cb 0.33 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.10 1bcc n ASN 40 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1bcc h ASP 41 N -0.15 0.11 0.85 0.53 5.19 -2.00 -2.04 116.42 118.91 1bcc h ASP 41 Ca 0.00 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1bcc h ASP 41 Cb 0.00 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1bcc h ASP 41 CO 0.00 0.08 -0.44 0.44 -3.12 0.00 0.00 179.24 176.21 1bcc h ASP 42 N 0.31 -1.06 -0.65 6.45 3.32 -1.96 -2.13 116.42 120.70 1bcc h ASP 42 Ca 0.26 0.04 0.19 0.00 0.02 0.00 0.00 57.03 57.54 1bcc h ASP 42 Cb 0.32 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1bcc h ASP 42 CO -0.29 -0.72 0.47 0.58 -1.72 0.00 0.00 179.24 177.55 1bcc h VAL 43 N -1.18 0.67 -0.11 -1.35 2.07 -1.85 0.24 116.25 114.74 1bcc h VAL 43 Ca -0.11 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1bcc h VAL 43 Cb 0.91 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1bcc h VAL 43 CO 0.17 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 177.80 1bcc h LYS 44 N 0.00 0.25 0.26 1.57 1.57 -0.94 0.34 116.57 119.62 1bcc h LYS 44 Ca 0.31 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1bcc h LYS 44 Cb 1.24 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1bcc h LYS 44 CO -0.00 0.62 -0.13 1.49 -0.57 0.00 0.00 179.45 180.86 1bcc h GLU 45 N -0.12 -0.34 -0.67 3.15 4.57 -0.52 -2.67 114.58 117.98 1bcc h GLU 45 Ca 0.02 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1bcc h GLU 45 Cb 0.55 0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 29.10 1bcc h GLU 45 CO 0.02 -0.17 -0.41 0.00 -1.18 0.00 0.00 179.01 177.27 1bcc h ALA 46 N 0.29 -0.18 -0.31 2.92 0.00 -0.52 0.26 119.26 121.72 1bcc h ALA 46 Ca -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1bcc h ALA 46 Cb 0.33 0.94 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1bcc h ALA 46 CO 0.06 -0.76 0.11 0.82 0.00 0.00 0.00 179.25 179.48 1bcc h ILE 47 N -0.16 1.13 0.00 0.00 2.04 -0.82 -1.69 117.51 118.01 1bcc h ILE 47 Ca 0.22 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1bcc h ILE 47 Cb 0.56 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1bcc h ILE 47 CO -0.74 0.16 -0.04 -0.09 0.00 0.00 0.00 178.15 177.44 1bcc h ARG 48 N 0.44 0.00 0.00 2.37 2.43 -0.60 -1.67 114.38 117.35 1bcc h ARG 48 Ca 0.11 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1bcc h ARG 48 Cb 0.11 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1bcc h ARG 48 CO -0.01 0.04 -0.87 0.00 -1.51 0.00 0.00 179.97 177.61 1bcc h ARG 49 N 0.00 0.00 -6.53 0.20 3.08 -0.97 -3.47 114.38 106.69 1bcc h ARG 49 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1bcc h ARG 49 Cb 0.36 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.51 1bcc h ARG 49 CO 0.00 0.05 0.40 -0.11 -1.07 0.00 0.00 179.97 179.25 1bcc n LEU 50 N -2.79 2.52 -4.70 3.04 7.94 -0.63 -4.92 117.00 117.46 1bcc n LEU 50 Ca -0.00 1.16 -0.34 0.00 -1.11 0.00 0.00 56.01 55.72 1bcc n LEU 50 Cb 0.59 -1.36 0.12 0.00 0.53 0.00 0.00 43.42 43.30 1bcc n LEU 50 CO 0.39 -0.89 0.79 -2.65 -1.11 0.00 0.00 177.39 173.93 1bcc n PRO 51 N 1.41 0.34 0.03 1.96 -0.02 -1.26 -4.76 135.00 132.69 1bcc n PRO 51 Ca 0.11 0.19 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1bcc n PRO 51 Cb 0.31 -2.46 0.34 0.00 -0.02 0.00 0.00 33.50 31.67 1bcc n PRO 51 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1bcc h GLU 52 N -0.66 0.46 -0.03 -0.52 4.81 -1.98 -2.14 114.58 114.53 1bcc h GLU 52 Ca -0.47 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1bcc h GLU 52 Cb 1.31 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1bcc h GLU 52 CO 0.47 0.48 -0.03 -0.91 -0.73 0.00 0.00 179.01 178.29 1bcc h ASN 53 N 0.45 -0.10 -0.54 1.04 2.35 -2.01 -2.45 115.58 114.32 1bcc h ASN 53 Ca 0.10 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.96 1bcc h ASN 53 Cb 0.27 0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.61 1bcc h ASN 53 CO 0.01 -0.02 0.13 -0.07 -1.65 0.00 0.00 177.43 175.83 1bcc h LEU 54 N -0.02 0.04 -0.24 1.61 3.38 -1.92 -2.62 115.31 115.55 1bcc h LEU 54 Ca 0.00 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1bcc h LEU 54 Cb 0.03 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1bcc h LEU 54 CO -0.03 0.04 -0.31 0.22 0.09 0.00 0.00 178.44 178.45 1bcc h TYR 55 N 0.27 -0.85 -0.45 1.13 3.20 -1.02 0.22 116.97 119.47 1bcc h TYR 55 Ca 0.27 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 1bcc h TYR 55 Cb 0.37 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1bcc h TYR 55 CO -0.22 -0.38 0.04 -0.44 -1.64 0.00 0.00 178.16 175.52 1bcc h ASP 56 N -0.32 0.67 0.44 -2.11 3.32 -1.32 0.13 116.42 117.23 1bcc h ASP 56 Ca 0.13 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1bcc h ASP 56 Cb 0.53 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1bcc h ASP 56 CO -0.42 0.72 -0.38 0.44 -1.72 0.00 0.00 179.24 177.87 1bcc h ASP 57 N 0.68 -1.01 -0.48 6.45 3.32 -0.79 -1.18 116.42 123.41 1bcc h ASP 57 Ca 0.14 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.31 1bcc h ASP 57 Cb 0.36 0.33 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1bcc h ASP 57 CO 0.01 -0.54 0.24 -0.09 -1.72 0.00 0.00 179.24 177.14 1bcc h ARG 58 N -0.82 0.46 -0.33 3.56 2.43 -0.42 -1.23 114.38 118.02 1bcc h ARG 58 Ca -0.04 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1bcc h ARG 58 Cb 0.72 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.09 1bcc h ARG 58 CO -0.03 0.30 -0.20 1.98 -1.51 0.00 0.00 179.97 180.51 1bcc h MET 59 N 0.47 -0.15 0.12 0.20 4.05 -0.41 0.32 114.93 119.53 1bcc h MET 59 Ca 0.21 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 1bcc h MET 59 Cb 0.12 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1bcc h MET 59 CO -0.15 -0.10 -0.06 0.35 0.23 0.00 0.00 176.91 177.18 1bcc h PHE 60 N -0.16 -0.15 -0.09 1.39 3.57 -0.91 -1.39 116.94 119.21 1bcc h PHE 60 Ca 0.17 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1bcc h PHE 60 Cb 0.42 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1bcc h PHE 60 CO -0.40 -0.02 -0.36 0.00 -2.23 0.00 0.00 178.31 175.29 1bcc h ARG 61 N -0.25 -0.37 -1.04 1.11 3.08 -0.49 0.44 114.38 116.86 1bcc h ARG 61 Ca -0.02 0.03 0.28 0.00 0.07 0.00 0.00 59.98 60.34 1bcc h ARG 61 Cb 0.20 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.22 1bcc h ARG 61 CO 0.03 -0.25 0.64 0.82 -1.07 0.00 0.00 179.97 180.14 1bcc h ILE 62 N -0.39 0.47 -0.07 2.04 2.04 -0.28 0.21 117.51 121.53 1bcc h ILE 62 Ca 0.02 -0.15 -0.22 0.00 1.00 0.00 0.00 64.86 65.52 1bcc h ILE 62 Cb 0.45 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1bcc h ILE 62 CO -0.29 0.08 -0.83 0.50 0.00 0.00 0.00 178.15 177.61 1bcc h LYS 63 N 0.44 0.56 0.00 2.37 3.64 0.08 -2.34 116.57 121.32 1bcc h LYS 63 Ca 0.65 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1bcc h LYS 63 Cb 1.50 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1bcc h LYS 63 CO -0.41 1.13 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.69 1bcc h ARG 64 N 0.36 0.00 0.04 1.90 2.43 0.29 -1.62 114.38 117.78 1bcc h ARG 64 Ca -0.06 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1bcc h ARG 64 Cb 1.45 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.01 1bcc h ARG 64 CO 0.15 0.12 -0.67 0.00 -1.51 0.00 0.00 179.97 178.06 1bcc h ALA 65 N 1.88 0.03 -0.70 2.80 0.00 -1.04 -2.53 119.26 119.70 1bcc h ALA 65 Ca -0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1bcc h ALA 65 Cb 0.25 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1bcc h ALA 65 CO 0.02 0.36 0.47 -0.07 0.00 0.00 0.00 179.25 180.03 1bcc h LEU 66 N -0.17 0.79 -0.34 0.00 3.38 -0.95 -0.70 115.31 117.32 1bcc h LEU 66 Ca -0.09 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1bcc h LEU 66 Cb 1.41 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1bcc h LEU 66 CO 0.13 0.57 -0.40 -0.78 0.09 0.00 0.00 178.44 178.05 1bcc h ASP 67 N 0.93 0.94 0.94 -0.43 1.82 -1.33 0.22 116.42 119.53 1bcc h ASP 67 Ca 0.26 -0.48 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1bcc h ASP 67 Cb -0.07 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 39.68 1bcc h ASP 67 CO -0.06 1.24 -0.49 -0.07 -1.61 0.00 0.00 179.24 178.24 1bcc h LEU 68 N 0.67 -1.19 -1.67 2.28 4.07 -1.03 -1.31 115.31 117.13 1bcc h LEU 68 Ca 0.05 0.05 0.29 0.00 0.08 0.00 0.00 57.88 58.35 1bcc h LEU 68 Cb 0.99 0.32 -0.07 0.00 1.08 0.00 0.00 40.66 42.99 1bcc h LEU 68 CO 0.10 -0.80 0.72 -1.13 -1.08 0.00 0.00 178.44 176.24 1bcc h ASN 69 N -1.31 0.23 0.29 -0.43 -1.24 -1.08 0.97 115.58 113.01 1bcc h ASN 69 Ca -0.13 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 56.82 1bcc h ASN 69 Cb 1.02 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 1bcc h ASN 69 CO 0.19 0.05 -0.44 -0.03 -1.29 0.00 0.00 177.43 175.91 1bcc h MET 70 N 0.21 0.19 -0.01 6.67 4.05 0.06 -2.94 114.93 123.16 1bcc h MET 70 Ca 0.55 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.88 1bcc h MET 70 Cb 1.77 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.57 1bcc h MET 70 CO -0.15 0.60 -0.32 0.54 0.23 0.00 0.00 176.91 177.80 1bcc n ARG 71 N -4.00 1.02 -1.99 0.39 1.74 0.32 -4.94 116.66 109.19 1bcc n ARG 71 Ca -0.02 -0.71 -0.12 0.00 -0.77 0.00 0.00 57.85 56.23 1bcc n ARG 71 Cb 0.49 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1bcc n ARG 71 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1bcc n GLN 72 N -0.37 -0.94 -4.30 5.56 1.13 -0.05 -5.00 117.38 113.41 1bcc n GLN 72 Ca 0.11 0.69 -0.19 0.00 -1.94 0.00 0.00 57.00 55.67 1bcc n GLN 72 Cb 0.39 -4.82 -0.13 0.00 0.11 0.00 0.00 30.24 25.79 1bcc n GLN 72 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1bcc s GLN 73 N -4.18 0.82 0.00 -1.09 -1.52 -1.05 -5.02 119.66 107.63 1bcc s GLN 73 Ca 0.00 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 1bcc s GLN 73 Cb 0.00 -0.79 0.00 0.00 -0.22 0.00 0.00 33.01 32.00 1bcc s GLN 73 CO 0.00 0.19 0.00 0.44 -0.25 0.00 0.00 175.29 175.67 1bcc n ILE 74 N 2.01 0.00 -3.87 1.08 -5.35 -1.26 -4.08 119.36 107.88 1bcc n ILE 74 Ca -0.18 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 61.96 1bcc n ILE 74 Cb 0.55 -0.87 -0.05 0.00 -1.74 0.00 0.00 39.64 37.53 1bcc n ILE 74 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1bcc s LEU 75 N 0.00 4.37 0.33 7.28 2.96 -0.60 -5.05 118.68 127.97 1bcc s LEU 75 Ca 0.00 0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 1bcc s LEU 75 Cb 0.00 -2.52 -0.12 0.00 0.50 0.00 0.00 46.19 44.05 1bcc s LEU 75 CO 0.00 0.29 1.43 -2.65 -1.32 0.00 0.00 176.35 174.10 1bcc n PRO 76 N 1.17 2.40 -0.23 0.98 -0.02 -1.26 -4.81 135.00 133.24 1bcc n PRO 76 Ca -0.13 0.85 0.12 0.00 -2.02 0.00 0.00 63.50 62.32 1bcc n PRO 76 Cb 0.53 -2.53 0.23 0.00 -0.02 0.00 0.00 33.50 31.71 1bcc n PRO 76 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1bcc n LYS 77 N 1.07 -0.05 0.00 -0.52 4.81 -1.26 -0.34 118.16 121.87 1bcc n LYS 77 Ca 0.05 0.99 -0.11 0.00 -0.87 0.00 0.00 58.31 58.38 1bcc n LYS 77 Cb 0.36 -1.61 -0.04 0.00 0.02 0.00 0.00 35.03 33.76 1bcc n LYS 77 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1bcc h GLU 78 N 0.00 -0.39 0.00 1.64 3.07 -2.03 -2.04 114.58 114.83 1bcc h GLU 78 Ca 0.43 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1bcc h GLU 78 Cb 0.93 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1bcc h GLU 78 CO -0.62 -0.26 0.00 1.04 -1.40 0.00 0.00 179.01 177.78 1bcc n GLN 79 N -5.41 0.20 -1.87 2.33 6.02 0.53 -4.80 117.38 114.38 1bcc n GLN 79 Ca -0.03 0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 1bcc n GLN 79 Cb 0.33 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 1bcc n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1bcc s TRP 80 N -2.41 2.76 0.10 1.08 0.52 -0.77 -4.81 118.94 115.42 1bcc s TRP 80 Ca 0.11 0.42 -0.31 0.00 0.02 0.00 0.00 56.10 56.35 1bcc s TRP 80 Cb 0.07 -4.00 -0.08 0.00 -1.15 0.00 0.00 33.47 28.31 1bcc s TRP 80 CO 0.15 -3.85 1.47 0.95 0.02 0.00 0.00 176.95 175.68 1bcc s THR 81 N 1.73 3.18 0.20 2.01 -4.23 -1.25 -4.96 115.64 112.32 1bcc s THR 81 Ca 0.73 0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 61.73 1bcc s THR 81 Cb -0.44 -3.50 -0.08 0.00 1.34 0.00 0.00 72.50 69.82 1bcc s THR 81 CO 0.32 0.04 0.93 -0.54 -0.54 0.00 0.00 174.62 174.83 1bcc s LYS 82 N 1.56 4.78 0.04 3.99 1.02 -1.26 -4.91 119.74 124.96 1bcc s LYS 82 Ca 0.67 1.44 -0.07 0.00 0.02 0.00 0.00 55.97 58.03 1bcc s LYS 82 Cb -0.38 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1bcc s LYS 82 CO 0.30 0.44 0.85 0.98 -0.92 0.00 0.00 175.35 177.00 1bcc n TYR 83 N 1.87 -0.11 0.00 3.18 9.36 -1.26 -0.00 117.16 130.20 1bcc n TYR 83 Ca -0.01 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.51 1bcc n TYR 83 Cb 0.48 -0.43 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 1bcc n TYR 83 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1bcc n GLU 84 N -3.45 0.00 -0.04 2.98 0.00 -1.26 -1.43 120.64 117.45 1bcc n GLU 84 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 57.16 57.37 1bcc n GLU 84 Cb 0.06 -1.52 0.05 0.00 0.00 0.00 0.00 31.44 30.04 1bcc n GLU 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1bcc n GLU 85 N -1.13 0.96 -2.15 3.44 1.02 1.00 -4.99 120.64 118.79 1bcc n GLU 85 Ca 0.00 -1.24 -0.42 0.00 -0.02 0.00 0.00 57.16 55.48 1bcc n GLU 85 Cb 0.02 -1.15 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 1bcc n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1bcc s ASP 86 N -0.74 6.78 -0.43 1.62 -1.08 -0.51 -4.93 116.67 117.39 1bcc s ASP 86 Ca 0.11 2.18 -0.17 0.00 -0.52 0.00 0.00 52.55 54.14 1bcc s ASP 86 Cb 0.07 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 39.00 1bcc s ASP 86 CO 0.10 -0.78 0.44 0.68 0.52 0.00 0.00 175.17 176.12 1bcc s VAL 87 N 2.73 5.09 -1.01 1.11 -7.23 -1.26 -4.98 120.40 114.85 1bcc s VAL 87 Ca 0.67 -0.41 -0.22 0.00 -1.81 0.00 0.00 61.98 60.20 1bcc s VAL 87 Cb -0.33 -4.05 -0.11 0.00 0.56 0.00 0.00 36.38 32.45 1bcc s VAL 87 CO 0.27 -0.45 1.93 -0.81 -0.31 0.00 0.00 175.10 175.73 1bcc n PRO 88 N 5.59 1.71 0.26 4.82 -0.04 -1.26 -4.72 135.00 141.36 1bcc n PRO 88 Ca -0.08 -2.23 0.16 0.00 -0.04 0.00 0.00 63.50 61.32 1bcc n PRO 88 Cb 0.47 -3.31 0.60 0.00 -0.04 0.00 0.00 33.50 31.22 1bcc n PRO 88 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1bcc h TYR 89 N 8.55 0.00 0.00 0.54 -0.00 -1.99 -3.34 116.97 120.73 1bcc h TYR 89 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.93 1bcc h TYR 89 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.49 1bcc h TYR 89 CO 1.25 0.00 -1.59 -0.11 -0.00 0.00 0.00 178.16 177.71 1bcc n LEU 90 N -3.05 0.00 -0.31 0.10 7.94 -1.26 -4.71 117.00 115.70 1bcc n LEU 90 Ca 0.01 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.08 1bcc n LEU 90 Cb 0.34 0.20 0.36 0.00 0.53 0.00 0.00 43.42 44.84 1bcc n LEU 90 CO 0.28 0.20 0.99 -0.08 -1.11 0.00 0.00 177.39 177.67 1bcc h GLU 91 N 0.00 0.22 0.22 1.96 4.81 -1.96 0.35 114.58 120.18 1bcc h GLU 91 Ca -0.22 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1bcc h GLU 91 Cb 1.46 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1bcc h GLU 91 CO 0.01 0.15 -0.20 -1.35 -0.73 0.00 0.00 179.01 176.89 1bcc h PRO 92 N 0.23 -0.42 0.48 0.92 0.11 -1.84 0.12 132.00 131.59 1bcc h PRO 92 Ca 0.62 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.74 1bcc h PRO 92 Cb 1.33 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1bcc h PRO 92 CO -0.66 -0.28 -0.25 1.88 -0.21 0.00 0.00 178.00 178.48 1bcc h TYR 93 N -0.44 -0.66 -1.43 0.65 0.05 -1.30 -2.43 116.97 111.41 1bcc h TYR 93 Ca -0.00 -0.01 0.48 0.00 0.05 0.00 0.00 58.73 59.25 1bcc h TYR 93 Cb 0.40 0.23 -0.13 0.00 1.01 0.00 0.00 36.73 38.24 1bcc h TYR 93 CO -0.14 -0.40 0.93 1.25 -1.05 0.00 0.00 178.16 178.76 1bcc h LEU 94 N -0.68 0.18 0.12 3.88 5.85 -0.33 0.15 115.31 124.48 1bcc h LEU 94 Ca -0.07 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1bcc h LEU 94 Cb 0.53 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1bcc h LEU 94 CO 0.10 -0.23 -0.06 0.11 -0.34 0.00 0.00 178.44 178.02 1bcc h LYS 95 N 0.01 -0.15 -0.97 1.25 1.57 -0.28 -2.53 116.57 115.48 1bcc h LYS 95 Ca 0.88 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.69 1bcc h LYS 95 Cb 2.91 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 35.20 1bcc h LYS 95 CO -0.43 0.12 0.64 1.49 -0.57 0.00 0.00 179.45 180.70 1bcc h GLU 96 N -0.41 1.25 -0.35 3.15 4.57 -0.49 -1.54 114.58 120.76 1bcc h GLU 96 Ca -0.02 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.15 1bcc h GLU 96 Cb 0.34 -0.28 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 1bcc h GLU 96 CO 0.03 0.83 -0.03 0.28 -1.18 0.00 0.00 179.01 178.94 1bcc h VAL 97 N 1.29 0.71 -0.42 0.32 2.07 -1.35 0.71 116.25 119.59 1bcc h VAL 97 Ca 0.36 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.75 1bcc h VAL 97 Cb -0.12 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1bcc h VAL 97 CO -0.09 0.01 -0.15 0.40 0.02 0.00 0.00 177.57 177.76 1bcc h ILE 98 N 0.07 1.26 0.00 4.57 2.04 -0.96 -1.54 117.51 122.94 1bcc h ILE 98 Ca 0.17 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 1bcc h ILE 98 Cb 0.25 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1bcc h ILE 98 CO -0.31 0.42 -0.59 0.08 0.00 0.00 0.00 178.15 177.75 1bcc h ARG 99 N 0.70 0.00 -0.43 2.37 0.11 -0.72 -1.66 114.38 114.75 1bcc h ARG 99 Ca 0.11 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.15 1bcc h ARG 99 Cb 0.65 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.71 1bcc h ARG 99 CO 0.05 0.30 0.13 0.93 0.10 0.00 0.00 179.97 181.48 1bcc h GLU 100 N 0.00 0.68 0.07 0.08 5.08 0.57 -2.12 114.58 118.95 1bcc h GLU 100 Ca -0.03 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1bcc h GLU 100 Cb 1.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bcc h GLU 100 CO 0.04 0.67 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.59 1bcc h ARG 101 N 0.56 -0.09 -0.24 2.33 2.43 -1.23 -2.89 114.38 115.26 1bcc h ARG 101 Ca 0.14 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1bcc h ARG 101 Cb 0.28 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1bcc h ARG 101 CO -0.00 0.22 0.19 0.87 -1.51 0.00 0.00 179.97 179.74 1bcc h LYS 102 N -0.42 0.00 0.04 0.20 1.57 -1.27 0.70 116.57 117.39 1bcc h LYS 102 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bcc h LYS 102 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1bcc h LYS 102 CO 0.02 0.00 -0.02 1.49 -0.57 0.00 0.00 179.45 180.37 1bcc h GLU 103 N 0.00 -0.05 -0.27 3.15 4.81 -1.18 -1.68 114.58 119.35 1bcc h GLU 103 Ca 0.11 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1bcc h GLU 103 Cb 0.49 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1bcc h GLU 103 CO -0.00 0.05 -0.08 0.00 -0.73 0.00 0.00 179.01 178.24 1bcc h ARG 104 N -0.13 0.54 -0.13 1.92 3.08 -0.69 -0.64 114.38 118.32 1bcc h ARG 104 Ca -0.01 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.87 1bcc h ARG 104 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1bcc h ARG 104 CO 0.01 0.76 0.27 0.93 -1.07 0.00 0.00 179.97 180.86 1bcc h GLU 105 N 0.29 0.00 0.00 0.04 5.08 0.35 -2.35 114.58 117.99 1bcc h GLU 105 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1bcc h GLU 105 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1bcc h GLU 105 CO 0.03 0.00 -0.48 0.93 -1.00 0.00 0.00 179.01 178.49 1bcc h GLU 106 N 0.00 0.00 -0.75 2.33 5.08 -0.59 -3.40 114.58 117.24 1bcc h GLU 106 Ca 0.06 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.59 1bcc h GLU 106 Cb 0.60 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 1bcc h GLU 106 CO -0.00 0.27 0.15 -1.49 -1.00 0.00 0.00 179.01 176.93 1bcc h TRP 107 N -1.00 0.22 0.00 4.33 4.06 -0.81 -0.18 115.95 122.57 1bcc h TRP 107 Ca -0.06 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1bcc h TRP 107 Cb 0.57 0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1bcc h TRP 107 CO -0.07 -0.13 0.00 -0.25 -3.56 0.00 0.00 178.44 174.43 1bcc n ASP 108 N -5.20 0.00 -0.80 -3.49 9.92 -0.91 -5.11 116.55 110.96 1bcc n ASP 108 Ca 0.15 -0.17 0.10 0.00 -0.53 0.00 0.00 54.79 54.34 1bcc n ASP 108 Cb 0.48 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.05 1bcc n ASP 108 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62