#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6s s LYS 2 N 0.00 4.07 -0.30 2.12 1.02 0.75 -4.74 119.74 122.66 2a6s s LYS 2 Ca 0.00 2.43 -0.07 0.00 0.02 0.00 0.00 55.97 58.35 2a6s s LYS 2 Cb 0.00 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.41 2a6s s LYS 2 CO 0.00 -0.51 0.08 -1.17 -0.92 0.00 0.00 175.35 172.83 2a6s s LEU 3 N -2.18 3.89 -0.17 3.17 2.96 -1.26 -0.02 118.68 125.06 2a6s s LEU 3 Ca 0.54 -0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2a6s s LEU 3 Cb -0.44 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2a6s s LEU 3 CO 0.58 -0.20 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.70 2a6s s ILE 4 N 1.49 3.35 -0.00 6.68 1.01 -0.07 -4.98 121.20 128.69 2a6s s ILE 4 Ca 0.02 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2a6s s ILE 4 Cb -0.17 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 2a6s s ILE 4 CO 0.02 0.48 -0.11 0.26 0.00 0.00 0.00 174.94 175.60 2a6s s TRP 5 N 0.73 2.78 0.63 3.97 0.52 -1.26 -0.51 118.94 125.79 2a6s s TRP 5 Ca -0.04 -0.10 -0.04 0.00 0.02 0.00 0.00 56.10 55.94 2a6s s TRP 5 Cb -0.15 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.63 2a6s s TRP 5 CO 0.02 0.31 0.91 -1.54 0.02 0.00 0.00 176.95 176.67 2a6s s SER 6 N -1.26 5.10 0.31 2.95 1.04 -1.23 -4.86 113.70 115.75 2a6s s SER 6 Ca 0.15 0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.89 2a6s s SER 6 Cb -0.11 -1.11 0.50 0.00 0.10 0.00 0.00 66.02 65.41 2a6s s SER 6 CO 0.05 -1.35 1.98 -0.33 0.98 0.00 0.00 173.24 174.58 2a6s h GLU 7 N -0.28 1.01 -0.31 4.02 5.08 -1.97 -1.47 114.58 120.65 2a6s h GLU 7 Ca -0.44 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 2a6s h GLU 7 Cb 1.30 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2a6s h GLU 7 CO 0.57 0.67 -0.11 0.93 -1.00 0.00 0.00 179.01 180.07 2a6s h GLU 8 N 1.04 0.63 -0.05 2.33 3.07 -1.93 -2.33 114.58 117.34 2a6s h GLU 8 Ca 0.29 -0.26 -0.16 0.00 -0.50 0.00 0.00 59.36 58.72 2a6s h GLU 8 Cb -0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 2a6s h GLU 8 CO -0.06 0.83 -0.68 0.66 -1.40 0.00 0.00 179.01 178.35 2a6s h SER 9 N 0.40 0.30 -0.18 1.42 4.64 -1.67 -1.59 113.55 116.86 2a6s h SER 9 Ca 0.07 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 2a6s h SER 9 Cb 0.62 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2a6s h SER 9 CO 0.04 0.89 -0.24 -0.25 -0.87 0.00 0.00 176.83 176.40 2a6s h TRP 10 N 0.17 0.72 -0.60 4.77 2.91 -1.29 -1.18 115.95 121.44 2a6s h TRP 10 Ca -0.02 -0.16 -0.03 0.00 1.13 0.00 0.00 58.89 59.81 2a6s h TRP 10 Cb 1.23 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.68 2a6s h TRP 10 CO 0.03 0.82 0.26 0.22 -1.03 0.00 0.00 178.44 178.73 2a6s h ASP 11 N 0.56 0.81 -0.35 2.65 3.58 -1.17 0.66 116.42 123.17 2a6s h ASP 11 Ca 0.08 -0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.41 2a6s h ASP 11 Cb 0.71 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 2a6s h ASP 11 CO 0.05 0.74 0.12 0.44 -2.88 0.00 0.00 179.24 177.72 2a6s h ASP 12 N 0.83 0.12 -0.58 2.28 3.32 -0.75 -0.63 116.42 121.01 2a6s h ASP 12 Ca 0.20 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 2a6s h ASP 12 Cb 0.17 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2a6s h ASP 12 CO -0.02 0.10 0.24 0.22 -1.72 0.00 0.00 179.24 178.07 2a6s h TYR 13 N 0.26 0.87 -0.46 4.55 3.20 -0.76 -2.24 116.97 122.39 2a6s h TYR 13 Ca 0.16 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 2a6s h TYR 13 Cb 0.14 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2a6s h TYR 13 CO -0.15 0.69 0.07 -0.07 -1.64 0.00 0.00 178.16 177.07 2a6s h LEU 14 N 0.79 0.67 -0.67 2.82 3.38 -0.53 -1.45 115.31 120.32 2a6s h LEU 14 Ca 0.19 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2a6s h LEU 14 Cb 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2a6s h LEU 14 CO -0.02 0.69 0.43 0.22 0.09 0.00 0.00 178.44 179.86 2a6s h TYR 15 N 0.69 0.81 -0.21 1.13 3.20 -0.65 -1.83 116.97 120.11 2a6s h TYR 15 Ca 0.15 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 2a6s h TYR 15 Cb 0.32 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2a6s h TYR 15 CO 0.02 0.49 -0.36 -1.49 -1.64 0.00 0.00 178.16 175.18 2a6s h TRP 16 N 0.87 0.53 0.00 -3.82 -0.00 -0.83 -0.78 115.95 111.91 2a6s h TRP 16 Ca 0.25 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.89 58.98 2a6s h TRP 16 Cb -0.05 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.16 28.98 2a6s h TRP 16 CO -0.04 0.76 -0.12 1.96 -0.00 0.00 0.00 178.44 181.01 2a6s h GLN 17 N 0.39 0.00 -0.44 0.49 4.20 -0.50 0.17 115.11 119.42 2a6s h GLN 17 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2a6s h GLN 17 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2a6s h GLN 17 CO 0.07 0.12 0.00 -0.85 -0.67 0.00 0.00 178.83 177.49 2a6s n GLU 18 N -4.37 2.48 0.00 1.46 0.28 -0.80 -4.64 120.64 115.06 2a6s n GLU 18 Ca -0.03 -2.22 0.00 0.00 -0.16 0.00 0.00 57.16 54.75 2a6s n GLU 18 Cb 0.19 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.63 2a6s n GLU 18 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2a6s n THR 19 N 1.17 0.00 -3.19 3.84 -1.04 -0.34 -5.06 114.28 109.67 2a6s n THR 19 Ca 0.17 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.19 2a6s n THR 19 Cb 0.53 -0.84 -0.02 0.00 -1.82 0.00 0.00 70.33 68.18 2a6s n THR 19 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a6s s ASP 20 N -4.38 -1.09 0.60 8.00 -1.08 0.51 -5.02 116.67 114.20 2a6s s ASP 20 Ca 0.00 0.23 0.30 0.00 -0.52 0.00 0.00 52.55 52.56 2a6s s ASP 20 Cb 0.00 1.84 1.81 0.00 -1.46 0.00 0.00 42.92 45.11 2a6s s ASP 20 CO 0.00 -0.30 2.21 0.11 0.52 0.00 0.00 175.17 177.71 2a6s h LYS 21 N 8.04 0.00 -0.69 4.34 1.57 -1.85 -1.43 116.57 126.54 2a6s h LYS 21 Ca -0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2a6s h LYS 21 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 2a6s h LYS 21 CO 0.20 0.00 0.15 0.00 -0.57 0.00 0.00 179.45 179.23 2a6s h ARG 22 N 0.00 1.12 -0.33 3.15 3.08 -1.95 -1.85 114.38 117.59 2a6s h ARG 22 Ca 0.02 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 2a6s h ARG 22 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2a6s h ARG 22 CO -0.00 1.00 -0.37 0.82 -1.07 0.00 0.00 179.97 180.35 2a6s h ILE 23 N 1.05 1.28 -0.35 2.04 1.08 -1.61 -1.65 117.51 119.36 2a6s h ILE 23 Ca 0.21 -1.53 0.02 0.00 -0.39 0.00 0.00 64.86 63.17 2a6s h ILE 23 Cb 0.40 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 2a6s h ILE 23 CO 0.01 0.50 0.19 0.58 -0.69 0.00 0.00 178.15 178.74 2a6s h VAL 24 N 0.64 1.01 -0.41 1.67 2.07 -1.29 -0.47 116.25 119.47 2a6s h VAL 24 Ca 0.06 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2a6s h VAL 24 Cb 0.91 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2a6s h VAL 24 CO 0.08 0.07 0.04 0.11 0.02 0.00 0.00 177.57 177.89 2a6s h LYS 25 N 0.39 0.64 -0.38 1.57 1.57 -1.14 -0.64 116.57 118.58 2a6s h LYS 25 Ca 0.14 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2a6s h LYS 25 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2a6s h LYS 25 CO -0.08 0.63 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.20 2a6s h LYS 26 N 0.61 0.67 -0.68 3.15 1.63 -0.70 -0.49 116.57 120.76 2a6s h LYS 26 Ca 0.13 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 2a6s h LYS 26 Cb 0.32 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 2a6s h LYS 26 CO 0.01 0.78 0.33 0.82 -3.45 0.00 0.00 179.45 177.93 2a6s h ILE 27 N 0.49 1.23 -0.75 2.00 2.04 -0.77 0.23 117.51 121.97 2a6s h ILE 27 Ca 0.11 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2a6s h ILE 27 Cb 0.48 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2a6s h ILE 27 CO 0.02 0.26 0.34 0.78 0.00 0.00 0.00 178.15 179.55 2a6s h ASN 28 N 0.95 1.01 -0.76 1.72 2.35 -0.88 -0.15 115.58 119.81 2a6s h ASN 28 Ca 0.23 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2a6s h ASN 28 Cb 0.11 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2a6s h ASN 28 CO -0.03 0.88 0.28 -0.08 -1.65 0.00 0.00 177.43 176.83 2a6s h GLU 29 N 1.07 1.15 -0.45 0.81 4.81 -0.61 -0.91 114.58 120.45 2a6s h GLU 29 Ca 0.26 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 2a6s h GLU 29 Cb 0.16 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2a6s h GLU 29 CO -0.03 0.95 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.90 2a6s h LEU 30 N 1.10 0.96 -0.48 1.64 3.38 -0.48 -1.33 115.31 120.10 2a6s h LEU 30 Ca 0.25 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2a6s h LEU 30 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2a6s h LEU 30 CO -0.02 1.14 0.15 0.40 0.09 0.00 0.00 178.44 180.20 2a6s h ILE 31 N 0.80 1.23 -0.72 1.22 2.04 -0.75 0.26 117.51 121.59 2a6s h ILE 31 Ca 0.10 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 2a6s h ILE 31 Cb 0.80 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2a6s h ILE 31 CO 0.07 0.28 0.38 0.50 0.00 0.00 0.00 178.15 179.38 2a6s h LYS 32 N 0.64 1.01 -0.32 2.37 3.64 -1.02 -0.69 116.57 122.21 2a6s h LYS 32 Ca 0.15 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 2a6s h LYS 32 Cb 0.27 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2a6s h LYS 32 CO -0.00 0.77 -0.31 0.22 -2.27 0.00 0.00 179.45 177.85 2a6s h ASP 33 N 1.00 0.70 -0.33 4.20 3.58 -0.97 -2.72 116.42 121.88 2a6s h ASP 33 Ca 0.25 -0.28 -0.10 0.00 0.42 0.00 0.00 57.03 57.32 2a6s h ASP 33 Cb 0.06 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2a6s h ASP 33 CO -0.04 0.96 -0.15 0.74 -2.88 0.00 0.00 179.24 177.87 2a6s h THR 34 N 0.58 1.26 -0.86 2.25 2.02 -0.52 -0.10 112.91 117.53 2a6s h THR 34 Ca 0.07 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.03 2a6s h THR 34 Cb 0.81 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 2a6s h THR 34 CO 0.07 0.42 0.55 0.03 0.37 0.00 0.00 175.52 176.96 2a6s h ARG 35 N 0.70 1.15 0.17 6.66 3.08 -0.92 -0.57 114.38 124.65 2a6s h ARG 35 Ca 0.11 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2a6s h ARG 35 Cb 0.64 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2a6s h ARG 35 CO 0.04 0.78 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.55 2a6s h ARG 36 N 1.18 -0.21 -2.84 0.04 2.43 -1.14 -3.41 114.38 110.42 2a6s h ARG 36 Ca 0.31 0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.91 2a6s h ARG 36 Cb -0.11 0.05 -0.40 0.00 -0.42 0.00 0.00 29.97 29.10 2a6s h ARG 36 CO -0.06 0.21 -0.79 0.95 -1.51 0.00 0.00 179.97 178.76 2a6s s THR 37 N -3.46 0.70 0.32 0.20 -4.23 -0.09 -5.03 115.64 104.04 2a6s s THR 37 Ca -0.13 -1.97 0.09 0.00 -1.18 0.00 0.00 61.69 58.50 2a6s s THR 37 Cb 0.01 -1.51 0.34 0.00 1.34 0.00 0.00 72.50 72.68 2a6s s THR 37 CO 0.48 -0.91 1.62 -0.65 -0.54 0.00 0.00 174.62 174.62 2a6s h PRO 38 N 7.06 0.16 -0.12 3.99 0.11 -1.30 -2.49 132.00 139.41 2a6s h PRO 38 Ca 0.00 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 2a6s h PRO 38 Cb 0.96 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 2a6s h PRO 38 CO 0.38 0.10 -0.30 1.19 -0.21 0.00 0.00 178.00 179.16 2a6s n PHE 39 N -5.23 0.38 -3.91 0.65 3.01 -1.26 -4.88 117.46 106.22 2a6s n PHE 39 Ca 0.28 -1.47 -0.09 0.00 1.01 0.00 0.00 57.45 57.18 2a6s n PHE 39 Cb 0.89 -0.32 -0.09 0.00 -0.01 0.00 0.00 39.48 39.96 2a6s n PHE 39 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2a6s s GLU 40 N -3.20 0.69 0.00 -1.08 0.41 -0.94 -4.84 118.70 109.75 2a6s s GLU 40 Ca 0.40 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 2a6s s GLU 40 Cb 0.37 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 33.00 2a6s s GLU 40 CO -0.03 -0.19 0.00 0.41 -0.49 0.00 0.00 175.26 174.96 2a6s n GLY 41 N 0.39 0.27 3.69 -1.39 0.00 -1.26 -4.70 105.19 102.19 2a6s n GLY 41 Ca -0.17 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 2a6s n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a6s n LYS 42 N 0.00 2.14 -0.88 1.61 5.02 -1.26 -2.45 118.16 122.35 2a6s n LYS 42 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 2a6s n LYS 42 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 2a6s n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a6s n GLY 43 N 1.39 0.80 3.46 0.72 0.00 -1.26 -4.36 105.19 105.93 2a6s n GLY 43 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 2a6s n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a6s n LYS 44 N -2.33 -1.61 -1.64 1.61 4.81 -1.02 -1.28 118.16 116.69 2a6s n LYS 44 Ca 0.00 1.19 -0.48 0.00 -0.87 0.00 0.00 58.31 58.15 2a6s n LYS 44 Cb 0.00 -3.54 -0.04 0.00 0.02 0.00 0.00 35.03 31.46 2a6s n LYS 44 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2a6s n PRO 45 N -1.82 1.74 -3.88 1.64 -0.02 -1.26 -4.72 135.00 126.68 2a6s n PRO 45 Ca -0.16 0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 2a6s n PRO 45 Cb 0.62 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 2a6s n PRO 45 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2a6s s GLU 46 N 0.35 0.31 0.33 -0.52 -1.05 -0.71 -4.94 118.70 112.46 2a6s s GLU 46 Ca 0.77 -0.22 -0.28 0.00 -0.15 0.00 0.00 54.97 55.09 2a6s s GLU 46 Cb -0.77 0.13 -0.09 0.00 -0.44 0.00 0.00 34.13 32.96 2a6s s GLU 46 CO 0.45 -0.06 1.14 -2.14 0.95 0.00 0.00 175.26 175.59 2a6s s PRO 47 N -0.83 4.42 0.50 -4.83 0.02 -1.26 -0.40 135.00 132.61 2a6s s PRO 47 Ca -0.09 1.85 0.05 0.00 0.02 0.00 0.00 61.00 62.83 2a6s s PRO 47 Cb -0.05 -2.99 0.03 0.00 0.02 0.00 0.00 34.50 31.51 2a6s s PRO 47 CO 0.01 -0.00 0.68 -0.51 -0.33 0.00 0.00 177.00 176.84 2a6s s LEU 48 N -1.86 3.44 0.44 -5.54 1.43 -0.29 -4.89 118.68 111.41 2a6s s LEU 48 Ca 0.49 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2a6s s LEU 48 Cb -0.32 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 2a6s s LEU 48 CO 0.41 -1.00 0.07 -0.54 0.23 0.00 0.00 176.35 175.52 2a6s s LYS 49 N -4.57 2.01 2.28 1.70 1.02 -1.26 -4.21 119.74 116.71 2a6s s LYS 49 Ca 0.57 -2.23 0.00 0.00 0.02 0.00 0.00 55.97 54.33 2a6s s LYS 49 Cb -0.10 -1.06 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 2a6s s LYS 49 CO 0.36 -0.38 0.00 0.72 -0.92 0.00 0.00 175.35 175.13 2a6s n HIS 50 N -1.03 0.00 0.14 3.18 8.25 -1.26 -0.76 115.22 123.74 2a6s n HIS 50 Ca -0.11 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.53 2a6s n HIS 50 Cb 0.66 0.00 0.75 0.00 1.12 0.00 0.00 29.99 32.52 2a6s n HIS 50 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 2a6s h ASN 51 N 0.00 0.00 -0.39 0.41 -0.00 -2.05 -0.72 115.58 112.83 2a6s h ASN 51 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.26 2a6s h ASN 51 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.29 2a6s h ASN 51 CO 0.00 0.00 0.03 0.18 -0.00 0.00 0.00 177.43 177.64 2a6s n LEU 52 N -4.09 4.54 -4.75 6.14 4.77 0.06 -5.00 117.00 118.67 2a6s n LEU 52 Ca 0.04 -3.10 -0.41 0.00 -0.03 0.00 0.00 56.01 52.51 2a6s n LEU 52 Cb 0.40 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 2a6s n LEU 52 CO 0.31 0.73 1.15 -0.55 -1.33 0.00 0.00 177.39 177.71 2a6s s SER 53 N -1.66 6.55 0.00 -1.43 0.15 -0.28 -1.29 113.70 115.73 2a6s s SER 53 Ca 0.46 2.79 0.00 0.00 0.70 0.00 0.00 55.95 59.90 2a6s s SER 53 Cb 0.38 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2a6s s SER 53 CO 0.10 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2a6s n GLY 54 N 2.03 3.22 3.93 9.45 0.00 -1.26 -4.97 105.19 117.59 2a6s n GLY 54 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2a6s n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a6s s PHE 55 N -2.83 3.49 0.27 1.61 0.40 -0.41 -4.63 117.98 115.88 2a6s s PHE 55 Ca 0.00 0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.67 2a6s s PHE 55 Cb 0.00 -1.78 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 2a6s s PHE 55 CO 0.00 0.48 -0.12 -1.58 0.70 0.00 0.00 175.22 174.69 2a6s s TRP 56 N -1.73 2.03 -0.02 0.36 0.52 0.12 -1.14 118.94 119.09 2a6s s TRP 56 Ca 0.36 -0.54 0.02 0.00 0.02 0.00 0.00 56.10 55.96 2a6s s TRP 56 Cb -0.12 -1.03 0.00 0.00 -1.15 0.00 0.00 33.47 31.18 2a6s s TRP 56 CO 0.28 0.46 -0.07 0.45 0.02 0.00 0.00 176.95 178.09 2a6s s SER 57 N -3.45 0.89 0.08 2.95 0.15 0.47 -0.90 113.70 113.88 2a6s s SER 57 Ca 0.28 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.88 2a6s s SER 57 Cb 0.00 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 2a6s s SER 57 CO 0.12 0.05 -0.22 -0.13 1.20 0.00 0.00 173.24 174.27 2a6s s ARG 58 N 0.10 1.30 -0.07 5.44 0.52 -0.36 -1.74 118.95 124.14 2a6s s ARG 58 Ca -0.01 -1.09 -0.28 0.00 -0.52 0.00 0.00 55.73 53.83 2a6s s ARG 58 Cb -0.06 -1.52 -0.02 0.00 0.52 0.00 0.00 34.95 33.87 2a6s s ARG 58 CO -0.00 0.37 0.92 1.03 0.02 0.00 0.00 175.30 177.64 2a6s s ARG 59 N -1.58 4.45 -0.23 3.54 0.52 -0.40 -0.32 118.95 124.94 2a6s s ARG 59 Ca 0.08 1.27 -0.17 0.00 -0.52 0.00 0.00 55.73 56.38 2a6s s ARG 59 Cb -0.09 -3.50 -0.14 0.00 0.52 0.00 0.00 34.95 31.74 2a6s s ARG 59 CO 0.03 -0.16 -0.09 -0.89 0.02 0.00 0.00 175.30 174.21 2a6s n ILE 60 N 4.23 1.52 -4.24 1.52 5.41 -0.35 -4.49 119.36 122.95 2a6s n ILE 60 Ca 0.06 -0.12 -0.17 0.00 1.00 0.00 0.00 62.75 63.51 2a6s n ILE 60 Cb 0.50 -2.04 -0.08 0.00 -0.71 0.00 0.00 39.64 37.31 2a6s n ILE 60 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2a6s s THR 61 N -2.45 0.00 -1.18 1.39 -4.23 -0.75 -4.98 115.64 103.43 2a6s s THR 61 Ca -0.31 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 58.33 2a6s s THR 61 Cb 0.09 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.53 2a6s s THR 61 CO 0.50 0.00 1.24 -1.84 -0.54 0.00 0.00 174.62 173.98 2a6s n GLU 62 N -0.53 0.06 -0.03 3.99 0.00 -1.26 -3.26 120.64 119.61 2a6s n GLU 62 Ca 0.06 0.28 -0.05 0.00 0.00 0.00 0.00 57.16 57.45 2a6s n GLU 62 Cb 0.63 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.54 2a6s n GLU 62 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2a6s n GLU 63 N -1.41 0.16 -3.56 3.44 4.71 -1.26 -5.03 120.64 117.68 2a6s n GLU 63 Ca 0.03 0.04 -0.37 0.00 -0.01 0.00 0.00 57.16 56.85 2a6s n GLU 63 Cb 0.09 -1.05 -0.06 0.00 -1.01 0.00 0.00 31.44 29.40 2a6s n GLU 63 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2a6s s HIS 64 N -2.13 3.62 0.05 -0.32 3.76 -1.20 -3.40 115.29 115.68 2a6s s HIS 64 Ca -0.09 0.81 0.06 0.00 -0.15 0.00 0.00 55.06 55.69 2a6s s HIS 64 Cb 0.02 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 2a6s s HIS 64 CO 0.14 0.53 -0.17 1.03 -0.85 0.00 0.00 174.74 175.42 2a6s s ARG 65 N -0.56 1.09 -0.41 1.40 1.81 -0.39 -1.21 118.95 120.67 2a6s s ARG 65 Ca 0.21 -0.89 -0.20 0.00 -1.72 0.00 0.00 55.73 53.13 2a6s s ARG 65 Cb -0.15 -1.16 0.02 0.00 -0.45 0.00 0.00 34.95 33.20 2a6s s ARG 65 CO 0.09 0.29 0.58 -1.17 -0.68 0.00 0.00 175.30 174.40 2a6s s LEU 66 N -1.32 4.53 -0.21 2.53 2.96 0.56 -3.72 118.68 124.01 2a6s s LEU 66 Ca 0.04 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 2a6s s LEU 66 Cb -0.09 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2a6s s LEU 66 CO 0.02 -0.67 0.10 -0.69 -1.32 0.00 0.00 176.35 173.79 2a6s s VAL 67 N 2.60 4.92 0.24 1.68 1.01 -0.02 -1.23 120.40 129.60 2a6s s VAL 67 Ca 0.20 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 2a6s s VAL 67 Cb -0.15 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2a6s s VAL 67 CO 0.17 0.40 0.36 -0.72 0.00 0.00 0.00 175.10 175.31 2a6s s TYR 68 N 0.80 0.73 0.01 5.22 -0.85 -0.08 -0.04 117.35 123.13 2a6s s TYR 68 Ca 0.05 -1.02 -0.00 0.00 -0.52 0.00 0.00 57.07 55.58 2a6s s TYR 68 Cb -0.13 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.09 2a6s s TYR 68 CO 0.02 -0.89 -0.01 0.00 -1.52 0.00 0.00 175.55 173.15 2a6s s ALA 69 N -3.95 0.05 -0.01 9.51 0.00 -0.08 0.13 121.76 127.42 2a6s s ALA 69 Ca 0.29 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 51.99 2a6s s ALA 69 Cb 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2a6s s ALA 69 CO 0.12 -0.10 -0.23 0.08 0.00 0.00 0.00 175.76 175.62 2a6s s VAL 70 N -0.87 1.85 0.00 0.00 1.01 -1.26 -0.05 120.40 121.08 2a6s s VAL 70 Ca -0.10 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2a6s s VAL 70 Cb -0.06 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2a6s s VAL 70 CO -0.01 0.47 0.00 0.35 0.00 0.00 0.00 175.10 175.92 2a6s n THR 71 N 2.37 0.00 0.14 3.92 -2.24 -0.38 -4.99 114.28 113.09 2a6s n THR 71 Ca -0.16 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 2a6s n THR 71 Cb 0.52 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.40 2a6s n THR 71 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2a6s h ASP 72 N 0.00 0.03 0.00 3.42 2.03 -2.03 -3.32 116.42 116.55 2a6s h ASP 72 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2a6s h ASP 72 Cb 0.00 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 2a6s h ASP 72 CO 0.00 0.02 -0.25 -0.90 -1.03 0.00 0.00 179.24 177.08 2a6s n ASP 73 N -4.47 0.00 -3.94 4.15 5.75 -1.26 -5.05 116.55 111.72 2a6s n ASP 73 Ca 0.03 -1.51 -0.10 0.00 -0.01 0.00 0.00 54.79 53.20 2a6s n ASP 73 Cb 0.30 -0.10 -0.11 0.00 -1.03 0.00 0.00 41.12 40.18 2a6s n ASP 73 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a6s s SER 74 N -0.51 0.16 -0.24 -1.12 1.04 -1.25 -0.17 113.70 111.61 2a6s s SER 74 Ca 0.00 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 2a6s s SER 74 Cb 0.00 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.27 2a6s s SER 74 CO 0.00 -0.31 -0.06 -0.22 0.98 0.00 0.00 173.24 173.63 2a6s s LEU 75 N -1.37 3.05 -0.24 2.42 2.96 0.96 -1.25 118.68 125.21 2a6s s LEU 75 Ca -0.15 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 52.93 2a6s s LEU 75 Cb -0.09 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 2a6s s LEU 75 CO -0.00 -0.09 0.14 -0.76 -1.32 0.00 0.00 176.35 174.32 2a6s s LEU 76 N 1.37 3.97 -0.34 -0.68 1.43 0.93 -0.89 118.68 124.47 2a6s s LEU 76 Ca 0.02 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 2a6s s LEU 76 Cb -0.16 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2a6s s LEU 76 CO -0.05 0.04 0.24 -0.63 0.23 0.00 0.00 176.35 176.18 2a6s s ILE 77 N 1.18 5.26 -0.07 -0.59 -1.09 0.33 -0.90 121.20 125.32 2a6s s ILE 77 Ca 0.07 -0.22 0.14 0.00 -2.23 0.00 0.00 60.65 58.41 2a6s s ILE 77 Cb -0.14 -3.70 -0.18 0.00 -1.58 0.00 0.00 42.46 36.86 2a6s s ILE 77 CO 0.05 -0.01 0.81 0.00 -1.23 0.00 0.00 174.94 174.56 2a6s h ALA 78 N 8.48 0.69 -1.57 9.38 0.00 -0.77 -3.26 119.26 132.22 2a6s h ALA 78 Ca -0.31 -1.13 0.17 0.00 0.00 0.00 0.00 54.91 53.63 2a6s h ALA 78 Cb 1.16 0.34 -0.21 0.00 0.00 0.00 0.00 17.79 19.07 2a6s h ALA 78 CO 0.63 1.25 0.69 0.00 0.00 0.00 0.00 179.25 181.83 2a6s s ALA 79 N -2.75 -1.99 -0.09 0.00 0.00 -1.11 -4.19 121.76 111.63 2a6s s ALA 79 Ca -0.03 1.55 0.18 0.00 0.00 0.00 0.00 51.96 53.65 2a6s s ALA 79 Cb 0.08 -0.48 0.34 0.00 0.00 0.00 0.00 23.12 23.07 2a6s s ALA 79 CO 0.82 -0.45 1.16 0.00 0.00 0.00 0.00 175.76 177.29 2a6s s ARG 81 N -0.78 0.68 0.69 0.00 3.52 -1.24 -4.76 118.95 117.05 2a6s s ARG 81 Ca 0.22 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 2a6s s ARG 81 Cb 0.29 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 34.00 2a6s s ARG 81 CO -0.10 -0.14 0.00 0.66 -0.81 0.00 0.00 175.30 174.91 2a6s n TYR 82 N 2.11 -1.54 -0.28 5.12 0.53 -1.26 -4.71 117.16 117.12 2a6s n TYR 82 Ca -0.16 0.08 0.00 0.00 -1.02 0.00 0.00 57.90 56.80 2a6s n TYR 82 Cb 0.56 -0.13 0.00 0.00 -1.03 0.00 0.00 39.34 38.74 2a6s n TYR 82 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42