#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1no5 s LEU 7 N 0.00 5.64 -1.29 2.61 2.96 -1.26 -4.13 118.68 123.20 1no5 s LEU 7 Ca 0.00 -1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 52.35 1no5 s LEU 7 Cb 0.00 -2.24 0.05 0.00 0.50 0.00 0.00 46.19 44.51 1no5 s LEU 7 CO 0.00 -0.76 1.77 -0.67 -1.32 0.00 0.00 176.35 175.37 1no5 n ASP 8 N 5.44 4.73 -4.04 3.68 2.03 -0.80 -4.84 116.55 122.73 1no5 n ASP 8 Ca -0.12 -2.90 -0.09 0.00 0.52 0.00 0.00 54.79 52.21 1no5 n ASP 8 Cb 0.43 -1.75 -0.09 0.00 -0.72 0.00 0.00 41.12 39.00 1no5 n ASP 8 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1no5 s ILE 9 N 4.88 0.12 0.39 5.18 -4.36 -1.26 -4.90 121.20 121.25 1no5 s ILE 9 Ca 0.55 -1.64 -0.24 0.00 -0.26 0.00 0.00 60.65 59.07 1no5 s ILE 9 Cb 0.04 -1.78 -0.10 0.00 1.25 0.00 0.00 42.46 41.88 1no5 s ILE 9 CO 0.08 -0.56 1.00 -0.54 0.24 0.00 0.00 174.94 175.17 1no5 s LYS 10 N -3.97 4.25 0.25 0.37 1.02 -1.26 -4.89 119.74 115.51 1no5 s LYS 10 Ca 0.16 1.38 -0.11 0.00 0.02 0.00 0.00 55.97 57.42 1no5 s LYS 10 Cb 0.06 -2.51 0.36 0.00 -0.52 0.00 0.00 37.83 35.22 1no5 s LYS 10 CO -0.03 -0.04 1.59 0.77 -0.92 0.00 0.00 175.35 176.72 1no5 h SER 11 N 2.49 -0.83 -0.39 2.83 0.02 -1.99 0.33 113.55 116.00 1no5 h SER 11 Ca -0.48 0.26 -0.15 0.00 -0.84 0.00 0.00 61.79 60.58 1no5 h SER 11 Cb 1.20 0.54 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 1no5 h SER 11 CO 0.62 -0.28 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.36 1no5 h GLU 12 N -0.01 0.92 -0.63 3.45 3.07 -2.00 -1.95 114.58 117.43 1no5 h GLU 12 Ca 0.40 -0.47 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1no5 h GLU 12 Cb 0.62 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 1no5 h GLU 12 CO -0.88 1.12 0.27 0.93 -1.40 0.00 0.00 179.01 179.06 1no5 h GLU 13 N 0.74 0.94 -0.83 2.33 5.08 -1.60 -1.97 114.58 119.27 1no5 h GLU 13 Ca 0.07 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1no5 h GLU 13 Cb 0.93 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1no5 h GLU 13 CO 0.09 0.78 0.45 1.25 -1.00 0.00 0.00 179.01 180.57 1no5 h LEU 14 N 0.88 1.04 -0.69 1.33 5.85 -0.09 -1.48 115.31 122.16 1no5 h LEU 14 Ca 0.21 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1no5 h LEU 14 Cb 0.18 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1no5 h LEU 14 CO -0.02 0.85 -0.12 0.00 -0.34 0.00 0.00 178.44 178.81 1no5 h ALA 15 N 1.24 0.88 -0.06 1.25 0.00 -1.14 0.39 119.26 121.82 1no5 h ALA 15 Ca 0.29 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1no5 h ALA 15 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1no5 h ALA 15 CO -0.05 0.64 -0.13 0.82 0.00 0.00 0.00 179.25 180.54 1no5 h ILE 16 N 0.80 0.67 -0.38 0.00 2.04 -0.89 0.24 117.51 120.00 1no5 h ILE 16 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1no5 h ILE 16 Cb 0.64 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1no5 h ILE 16 CO 0.04 0.00 0.08 0.58 0.00 0.00 0.00 178.15 178.85 1no5 h VAL 17 N -0.18 0.81 -0.88 1.67 2.07 -1.05 -1.91 116.25 116.77 1no5 h VAL 17 Ca 0.06 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1no5 h VAL 17 Cb 0.27 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1no5 h VAL 17 CO -0.17 0.04 0.58 0.11 0.02 0.00 0.00 177.57 178.15 1no5 h LYS 18 N 0.20 1.08 -0.21 1.57 1.57 0.36 -1.99 116.57 119.15 1no5 h LYS 18 Ca 0.18 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1no5 h LYS 18 Cb 0.21 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1no5 h LYS 18 CO -0.23 0.71 -0.22 1.15 -0.57 0.00 0.00 179.45 180.29 1no5 h THR 19 N 1.11 1.33 -0.90 -0.16 2.02 0.05 -2.63 112.91 113.72 1no5 h THR 19 Ca 0.35 -1.39 0.03 0.00 0.77 0.00 0.00 66.41 66.17 1no5 h THR 19 Cb 0.01 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 1no5 h THR 19 CO -0.10 0.43 0.59 0.40 0.37 0.00 0.00 175.52 177.20 1no5 h ILE 20 N 0.20 1.16 -0.46 3.11 2.04 -1.03 -1.02 117.51 121.50 1no5 h ILE 20 Ca 0.03 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1no5 h ILE 20 Cb 0.77 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1no5 h ILE 20 CO 0.05 0.21 -0.10 -0.07 0.00 0.00 0.00 178.15 178.24 1no5 h LEU 21 N 1.15 0.88 -1.06 1.44 3.38 -1.35 -0.75 115.31 119.01 1no5 h LEU 21 Ca 0.36 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1no5 h LEU 21 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1no5 h LEU 21 CO -0.11 1.04 -0.38 -0.61 0.09 0.00 0.00 178.44 178.46 1no5 h GLN 22 N 0.72 0.17 0.00 1.13 4.15 -1.18 0.36 115.11 120.47 1no5 h GLN 22 Ca 0.12 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.28 1no5 h GLN 22 Cb 0.65 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 1no5 h GLN 22 CO 0.04 0.53 -1.07 1.96 -1.93 0.00 0.00 178.83 178.37 1no5 h GLN 23 N 0.15 0.00 0.00 1.69 4.20 -0.85 -3.34 115.11 116.96 1no5 h GLN 23 Ca 0.02 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.41 1no5 h GLN 23 Cb 0.74 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1no5 h GLN 23 CO 0.06 0.61 -2.17 1.28 -0.67 0.00 0.00 178.83 177.93 1no5 n LEU 24 N -3.16 0.41 -3.03 1.46 4.77 -0.32 -4.77 117.00 112.36 1no5 n LEU 24 Ca -0.04 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 1no5 n LEU 24 Cb 0.88 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 42.21 1no5 n LEU 24 CO 0.44 0.48 -0.17 1.33 -1.33 0.00 0.00 177.39 178.13 1no5 n VAL 25 N -2.69 0.35 0.34 4.08 0.24 0.11 -4.93 118.33 115.82 1no5 n VAL 25 Ca -0.29 -4.27 0.15 0.00 -2.04 0.00 0.00 64.34 57.89 1no5 n VAL 25 Cb 1.03 -0.11 0.52 0.00 -1.47 0.00 0.00 33.84 33.82 1no5 n VAL 25 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1no5 h PRO 26 N 2.99 0.00 -0.93 7.34 0.13 -1.65 -1.94 132.00 137.94 1no5 h PRO 26 Ca 0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.06 1no5 h PRO 26 Cb 1.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.05 1no5 h PRO 26 CO 0.52 0.00 0.16 -0.25 -0.23 0.00 0.00 178.00 178.20 1no5 n ASP 27 N -2.79 3.13 -4.09 1.44 8.00 -1.26 -3.27 116.55 117.71 1no5 n ASP 27 Ca 0.02 -2.53 -0.23 0.00 0.71 0.00 0.00 54.79 52.76 1no5 n ASP 27 Cb 0.33 -0.61 -0.16 0.00 -0.02 0.00 0.00 41.12 40.67 1no5 n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1no5 s TYR 28 N -1.46 1.36 0.26 1.24 1.51 -0.73 -4.80 117.35 114.73 1no5 s TYR 28 Ca 0.22 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 1no5 s TYR 28 Cb 0.18 -0.91 -0.09 0.00 -0.11 0.00 0.00 41.96 41.03 1no5 s TYR 28 CO 0.05 -0.09 1.07 0.99 -1.11 0.00 0.00 175.55 176.46 1no5 s THR 29 N -0.07 3.64 -0.05 -0.71 2.01 -1.25 -3.76 115.64 115.46 1no5 s THR 29 Ca 0.00 1.63 0.01 0.00 0.31 0.00 0.00 61.69 63.64 1no5 s THR 29 Cb -0.08 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.41 1no5 s THR 29 CO 0.01 0.38 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.57 1no5 s VAL 30 N -1.05 0.62 -0.09 3.82 1.01 0.87 0.14 120.40 125.72 1no5 s VAL 30 Ca 0.44 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1no5 s VAL 30 Cb -0.30 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1no5 s VAL 30 CO 0.39 0.24 -0.16 0.26 0.00 0.00 0.00 175.10 175.83 1no5 s TRP 31 N 0.88 2.70 0.02 5.22 0.51 -0.69 -0.09 118.94 127.49 1no5 s TRP 31 Ca -0.12 -0.56 -0.20 0.00 -2.12 0.00 0.00 56.10 53.10 1no5 s TRP 31 Cb -0.15 -1.73 -0.06 0.00 -0.81 0.00 0.00 33.47 30.72 1no5 s TRP 31 CO 0.01 -0.12 0.59 0.00 -0.51 0.00 0.00 176.95 176.91 1no5 s ALA 32 N -0.03 3.51 0.00 0.98 0.00 -0.08 0.41 121.76 126.55 1no5 s ALA 32 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1no5 s ALA 32 Cb -0.14 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1no5 s ALA 32 CO 0.04 0.23 0.00 1.97 0.00 0.00 0.00 175.76 178.00 1no5 n PHE 33 N 2.46 0.00 -3.19 0.00 1.16 -0.24 -1.19 117.46 116.45 1no5 n PHE 33 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 1no5 n PHE 33 Cb 0.51 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 1no5 n PHE 33 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1no5 n GLY 34 N 0.05 -2.07 0.26 4.97 0.00 -1.26 -4.05 105.19 103.09 1no5 n GLY 34 Ca 0.00 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.61 1no5 n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1no5 h SER 35 N 0.00 0.00 0.58 1.61 4.64 -1.93 0.19 113.55 118.65 1no5 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1no5 h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1no5 h SER 35 CO 0.00 0.13 0.00 0.54 -0.87 0.00 0.00 176.83 176.63 1no5 n ARG 36 N -3.61 0.19 0.00 4.77 1.74 -1.26 -1.93 116.66 116.56 1no5 n ARG 36 Ca -0.02 0.09 0.09 0.00 -0.77 0.00 0.00 57.85 57.24 1no5 n ARG 36 Cb 0.25 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1no5 n ARG 36 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1no5 n VAL 37 N -1.38 0.00 -1.05 1.55 0.24 0.67 -1.91 118.33 116.46 1no5 n VAL 37 Ca 0.09 -0.39 0.06 0.00 -2.04 0.00 0.00 64.34 62.05 1no5 n VAL 37 Cb 0.22 1.29 0.26 0.00 -1.47 0.00 0.00 33.84 34.14 1no5 n VAL 37 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1no5 n LYS 38 N 0.39 2.93 -1.00 7.34 5.02 -0.98 -4.02 118.16 127.84 1no5 n LYS 38 Ca 0.09 -2.92 -0.05 0.00 -2.02 0.00 0.00 58.31 53.40 1no5 n LYS 38 Cb 0.42 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1no5 n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1no5 n GLY 39 N -0.52 0.51 1.04 0.72 0.00 -1.21 -4.84 105.19 100.90 1no5 n GLY 39 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1no5 n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1no5 n LYS 40 N -0.18 2.20 -2.34 1.61 5.02 -0.81 -5.02 118.16 118.64 1no5 n LYS 40 Ca -0.05 -3.03 -0.42 0.00 -2.02 0.00 0.00 58.31 52.78 1no5 n LYS 40 Cb 0.43 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1no5 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1no5 s ALA 41 N -3.09 3.49 0.37 7.82 0.00 -1.20 -4.91 121.76 124.24 1no5 s ALA 41 Ca 0.43 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.27 1no5 s ALA 41 Cb 0.38 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1no5 s ALA 41 CO 0.03 -0.63 0.57 0.15 0.00 0.00 0.00 175.76 175.89 1no5 s LYS 42 N 1.56 3.39 0.25 0.00 1.02 -1.26 -5.01 119.74 119.68 1no5 s LYS 42 Ca 0.60 -0.38 -0.04 0.00 0.02 0.00 0.00 55.97 56.18 1no5 s LYS 42 Cb -0.30 -2.64 0.47 0.00 -0.52 0.00 0.00 37.83 34.83 1no5 s LYS 42 CO 0.28 0.06 1.72 -0.22 -0.92 0.00 0.00 175.35 176.26 1no5 h LYS 43 N 0.68 0.38 -0.49 1.68 3.64 -2.02 -1.66 116.57 118.77 1no5 h LYS 43 Ca -0.49 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1no5 h LYS 43 Cb 1.23 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1no5 h LYS 43 CO 0.60 0.25 0.02 0.66 -2.27 0.00 0.00 179.45 178.71 1no5 n TYR 44 N -5.05 1.76 -1.87 1.91 4.02 -1.26 -4.86 117.16 111.81 1no5 n TYR 44 Ca 0.14 -0.83 -0.40 0.00 -0.01 0.00 0.00 57.90 56.80 1no5 n TYR 44 Cb 0.43 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 1no5 n TYR 44 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1no5 s SER 45 N -1.19 6.21 1.18 7.72 0.01 -0.63 -4.79 113.70 122.22 1no5 s SER 45 Ca 0.51 2.91 -0.19 0.00 1.31 0.00 0.00 55.95 60.49 1no5 s SER 45 Cb 0.40 -2.66 0.28 0.00 0.21 0.00 0.00 66.02 64.25 1no5 s SER 45 CO 0.13 -0.94 1.13 1.51 0.41 0.00 0.00 173.24 175.48 1no5 s ASP 46 N -0.40 1.10 -0.31 2.44 1.47 -1.26 -4.56 116.67 115.14 1no5 s ASP 46 Ca 0.56 0.59 -0.04 0.00 1.18 0.00 0.00 52.55 54.84 1no5 s ASP 46 Cb -0.44 -0.81 0.04 0.00 -0.34 0.00 0.00 42.92 41.38 1no5 s ASP 46 CO 0.58 -4.01 0.04 -0.22 0.68 0.00 0.00 175.17 172.24 1no5 s LEU 47 N -6.85 3.99 -0.23 2.11 2.96 -0.21 -4.69 118.68 115.76 1no5 s LEU 47 Ca 0.71 -1.13 -0.25 0.00 -0.22 0.00 0.00 54.13 53.24 1no5 s LEU 47 Cb -0.09 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1no5 s LEU 47 CO 0.56 -0.27 0.84 -1.81 -1.32 0.00 0.00 176.35 174.35 1no5 s ASP 48 N 1.34 6.87 -0.14 3.68 1.01 -1.26 -1.11 116.67 127.06 1no5 s ASP 48 Ca -0.03 1.07 0.02 0.00 0.71 0.00 0.00 52.55 54.33 1no5 s ASP 48 Cb -0.19 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1no5 s ASP 48 CO 0.00 -0.50 -0.20 -0.76 0.21 0.00 0.00 175.17 173.93 1no5 s LEU 49 N 2.73 2.01 -0.20 1.23 1.43 -0.63 -1.08 118.68 124.17 1no5 s LEU 49 Ca 0.36 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 1no5 s LEU 49 Cb -0.15 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1no5 s LEU 49 CO 0.08 0.05 0.55 0.00 0.23 0.00 0.00 176.35 177.25 1no5 s ALA 50 N 0.97 3.54 -0.41 4.21 0.00 0.17 -0.65 121.76 129.57 1no5 s ALA 50 Ca -0.04 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 1no5 s ALA 50 Cb -0.15 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1no5 s ALA 50 CO -0.04 -0.46 0.52 0.42 0.00 0.00 0.00 175.76 176.20 1no5 s ILE 51 N 1.68 4.99 -0.26 0.00 -1.09 -0.68 -1.71 121.20 124.12 1no5 s ILE 51 Ca 0.25 -0.08 -0.16 0.00 -2.23 0.00 0.00 60.65 58.44 1no5 s ILE 51 Cb -0.16 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1no5 s ILE 51 CO 0.10 -0.45 0.42 -0.63 -1.23 0.00 0.00 174.94 173.15 1no5 s ILE 52 N 2.41 5.14 0.24 2.92 -1.09 0.12 -2.48 121.20 128.46 1no5 s ILE 52 Ca 0.17 0.67 -0.21 0.00 -2.23 0.00 0.00 60.65 59.05 1no5 s ILE 52 Cb -0.16 -3.74 0.07 0.00 -1.58 0.00 0.00 42.46 37.05 1no5 s ILE 52 CO 0.15 0.14 0.96 -0.94 -1.23 0.00 0.00 174.94 174.03 1no5 s SER 53 N 1.59 -0.01 -0.00 3.58 1.04 -1.26 -3.85 113.70 114.79 1no5 s SER 53 Ca 0.17 -0.78 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 1no5 s SER 53 Cb -0.16 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 1no5 s SER 53 CO 0.10 -1.18 0.50 -0.33 0.98 0.00 0.00 173.24 173.31 1no5 h GLU 54 N 2.00 -0.01 -6.17 4.02 3.07 -1.95 -3.08 114.58 112.45 1no5 h GLU 54 Ca -0.28 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 57.90 1no5 h GLU 54 Cb 1.23 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.97 1no5 h GLU 54 CO 0.36 -0.01 -0.68 -1.21 -1.40 0.00 0.00 179.01 176.07 1no5 s GLU 55 N -2.02 2.71 -0.15 2.33 8.01 -1.26 -4.51 118.70 123.81 1no5 s GLU 55 Ca -0.00 -0.60 -0.40 0.00 0.01 0.00 0.00 54.97 53.98 1no5 s GLU 55 Cb 0.00 -2.59 -0.18 0.00 -4.31 0.00 0.00 34.13 27.05 1no5 s GLU 55 CO 0.00 0.64 1.47 -2.30 0.01 0.00 0.00 175.26 175.08 1no5 n PRO 56 N 1.91 0.73 -1.29 0.39 -0.02 -1.26 -4.79 135.00 130.67 1no5 n PRO 56 Ca -0.17 0.26 -0.51 0.00 -2.02 0.00 0.00 63.50 61.07 1no5 n PRO 56 Cb 0.53 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.07 1no5 n PRO 56 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1no5 n LEU 57 N 3.51 0.42 -4.67 2.45 7.94 -1.26 -4.83 117.00 120.57 1no5 n LEU 57 Ca 0.24 0.94 -0.52 0.00 -1.11 0.00 0.00 56.01 55.55 1no5 n LEU 57 Cb 0.11 -0.73 -0.06 0.00 0.53 0.00 0.00 43.42 43.27 1no5 n LEU 57 CO 0.73 -1.16 1.22 -0.90 -1.11 0.00 0.00 177.39 176.18 1no5 n ASP 58 N 2.09 2.50 -0.35 1.96 3.85 -1.26 -4.83 116.55 120.51 1no5 n ASP 58 Ca 0.20 1.07 0.25 0.00 -0.71 0.00 0.00 54.79 55.60 1no5 n ASP 58 Cb 0.01 -1.24 0.50 0.00 -1.35 0.00 0.00 41.12 39.04 1no5 n ASP 58 CO 0.00 0.00 0.00 2.19 -1.01 0.00 0.00 177.20 178.38 1no5 h PHE 59 N 6.70 0.82 -0.07 2.11 -0.00 -1.99 -1.99 116.94 122.51 1no5 h PHE 59 Ca -0.47 0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 57.47 1no5 h PHE 59 Cb 1.30 -0.22 0.00 0.00 -0.00 0.00 0.00 35.95 37.03 1no5 h PHE 59 CO 0.72 -0.11 -0.21 1.25 -0.00 0.00 0.00 178.31 179.97 1no5 h LEU 60 N 0.33 0.31 -1.41 2.10 5.85 -2.00 -0.33 115.31 120.16 1no5 h LEU 60 Ca 0.71 -0.60 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1no5 h LEU 60 Cb 1.75 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 1no5 h LEU 60 CO -0.50 0.86 -0.30 0.00 -0.34 0.00 0.00 178.44 178.16 1no5 h ALA 61 N 0.46 1.48 0.81 1.25 0.00 -1.77 -2.10 119.26 119.40 1no5 h ALA 61 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1no5 h ALA 61 Cb 0.83 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1no5 h ALA 61 CO 0.04 0.37 -0.39 -0.09 0.00 0.00 0.00 179.25 179.18 1no5 h ARG 62 N 0.00 -1.05 -0.68 0.00 2.43 -1.20 -1.51 114.38 112.37 1no5 h ARG 62 Ca -0.00 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.37 1no5 h ARG 62 Cb 0.53 0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 30.23 1no5 h ARG 62 CO 0.04 -0.70 0.18 -0.44 -1.51 0.00 0.00 179.97 177.54 1no5 h ASP 63 N -1.12 0.07 0.45 -3.80 3.45 -0.67 0.41 116.42 115.22 1no5 h ASP 63 Ca -0.11 0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.39 1no5 h ASP 63 Cb 0.84 0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.75 1no5 h ASP 63 CO 0.18 0.02 -0.37 0.03 -1.57 0.00 0.00 179.24 177.53 1no5 h ARG 64 N 0.31 0.00 -0.10 3.56 3.08 -1.38 0.90 114.38 120.74 1no5 h ARG 64 Ca 0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.35 1no5 h ARG 64 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1no5 h ARG 64 CO -0.43 0.37 -0.19 -0.07 -1.07 0.00 0.00 179.97 178.58 1no5 h LEU 65 N 0.00 0.34 -0.81 3.04 3.38 0.14 -1.54 115.31 119.86 1no5 h LEU 65 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1no5 h LEU 65 Cb 0.70 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1no5 h LEU 65 CO 0.05 0.83 0.51 0.11 0.09 0.00 0.00 178.44 180.03 1no5 h LYS 66 N -0.13 1.09 0.37 1.13 1.57 -0.90 -0.70 116.57 119.01 1no5 h LYS 66 Ca 0.01 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1no5 h LYS 66 Cb 0.77 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1no5 h LYS 66 CO 0.04 0.75 -0.24 1.49 -0.57 0.00 0.00 179.45 180.92 1no5 h GLU 67 N 1.11 -0.57 -1.00 3.15 4.81 -0.84 0.07 114.58 121.31 1no5 h GLU 67 Ca 0.29 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 1no5 h GLU 67 Cb -0.08 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1no5 h GLU 67 CO -0.06 -0.38 0.65 0.00 -0.73 0.00 0.00 179.01 178.49 1no5 h ALA 68 N -0.01 1.37 -0.15 2.92 0.00 -0.87 0.43 119.26 122.95 1no5 h ALA 68 Ca -0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1no5 h ALA 68 Cb 0.49 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1no5 h ALA 68 CO 0.03 0.49 -0.60 0.74 0.00 0.00 0.00 179.25 179.92 1no5 h PHE 69 N 1.22 0.89 -0.27 0.00 0.04 -0.97 -2.37 116.94 115.48 1no5 h PHE 69 Ca 0.42 -0.38 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 1no5 h PHE 69 Cb 0.09 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1no5 h PHE 69 CO -0.00 1.18 -0.09 0.66 -0.60 0.00 0.00 178.31 179.45 1no5 h SER 70 N 0.34 0.41 1.25 2.17 4.64 -0.59 -2.40 113.55 119.38 1no5 h SER 70 Ca -0.03 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1no5 h SER 70 Cb 1.23 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1no5 h SER 70 CO 0.13 0.55 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.24 1no5 h GLU 71 N 0.41 0.00 -7.52 4.77 5.08 -0.88 -3.47 114.58 112.98 1no5 h GLU 71 Ca 0.08 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.99 1no5 h GLU 71 Cb 0.42 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.82 1no5 h GLU 71 CO 0.02 0.06 0.29 -1.54 -1.00 0.00 0.00 179.01 176.84 1no5 s SER 72 N -5.94 3.03 -0.00 1.42 1.04 -0.90 -4.95 113.70 107.39 1no5 s SER 72 Ca 0.03 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.29 1no5 s SER 72 Cb 0.08 -1.29 0.03 0.00 0.10 0.00 0.00 66.02 64.95 1no5 s SER 72 CO 0.60 -2.84 0.89 0.47 0.98 0.00 0.00 173.24 173.34 1no5 n ASP 73 N -3.93 0.48 -4.76 7.02 8.00 -1.26 -4.92 116.55 117.18 1no5 n ASP 73 Ca 0.09 -2.01 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 1no5 n ASP 73 Cb 0.59 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1no5 n ASP 73 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1no5 s LEU 74 N -0.74 4.48 0.00 0.64 1.43 -1.26 -4.90 118.68 118.32 1no5 s LEU 74 Ca 0.02 2.50 0.16 0.00 -1.03 0.00 0.00 54.13 55.79 1no5 s LEU 74 Cb 0.01 -3.64 0.62 0.00 0.03 0.00 0.00 46.19 43.21 1no5 s LEU 74 CO 0.01 -0.37 1.44 -0.81 0.23 0.00 0.00 176.35 176.85 1no5 n PRO 75 N 1.05 1.58 -4.29 1.29 -0.04 -1.26 -4.86 135.00 128.47 1no5 n PRO 75 Ca -0.00 -0.88 -0.20 0.00 -0.04 0.00 0.00 63.50 62.38 1no5 n PRO 75 Cb 0.43 -1.31 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 1no5 n PRO 75 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1no5 s TRP 76 N -1.77 1.80 0.16 0.54 1.48 -1.26 -4.93 118.94 114.95 1no5 s TRP 76 Ca 0.26 -1.68 -0.13 0.00 -1.06 0.00 0.00 56.10 53.49 1no5 s TRP 76 Cb 0.14 -0.72 -0.07 0.00 -1.16 0.00 0.00 33.47 31.66 1no5 s TRP 76 CO 0.20 -0.89 0.55 1.03 -4.06 0.00 0.00 176.95 173.78 1no5 s ARG 77 N -3.38 3.95 -0.30 3.25 3.00 -1.26 -4.94 118.95 119.25 1no5 s ARG 77 Ca 0.41 0.45 -0.11 0.00 0.00 0.00 0.00 55.73 56.48 1no5 s ARG 77 Cb 0.02 -2.89 -0.03 0.00 0.00 0.00 0.00 34.95 32.05 1no5 s ARG 77 CO 0.29 0.45 0.20 0.08 0.00 0.00 0.00 175.30 176.32 1no5 s VAL 78 N -1.52 5.16 -0.50 3.52 1.01 -1.26 -1.04 120.40 125.75 1no5 s VAL 78 Ca 0.39 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 1no5 s VAL 78 Cb -0.14 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.78 1no5 s VAL 78 CO 0.19 0.14 0.50 -0.62 0.00 0.00 0.00 175.10 175.31 1no5 s ASP 79 N 1.72 6.18 -0.04 3.32 2.15 -0.27 -4.94 116.67 124.79 1no5 s ASP 79 Ca 0.06 -1.34 -0.28 0.00 0.43 0.00 0.00 52.55 51.43 1no5 s ASP 79 Cb -0.17 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 1no5 s ASP 79 CO 0.10 -0.79 0.90 -0.76 -0.17 0.00 0.00 175.17 174.45 1no5 s LEU 80 N 1.95 4.33 -0.09 -1.34 1.43 -1.26 -1.60 118.68 122.09 1no5 s LEU 80 Ca 0.07 1.49 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1no5 s LEU 80 Cb -0.24 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1no5 s LEU 80 CO 0.07 -0.25 -0.11 -0.22 0.23 0.00 0.00 176.35 176.07 1no5 s LEU 81 N 1.14 2.90 -0.54 1.79 0.20 0.17 -4.96 118.68 119.38 1no5 s LEU 81 Ca 0.47 -0.19 -0.20 0.00 0.69 0.00 0.00 54.13 54.90 1no5 s LEU 81 Cb -0.20 -1.63 0.06 0.00 -0.43 0.00 0.00 46.19 43.99 1no5 s LEU 81 CO 0.23 0.27 0.73 -0.62 -0.29 0.00 0.00 176.35 176.67 1no5 s ASP 82 N -0.27 6.24 0.28 3.68 3.68 -1.26 -1.69 116.67 127.33 1no5 s ASP 82 Ca 0.03 -0.87 0.02 0.00 2.13 0.00 0.00 52.55 53.85 1no5 s ASP 82 Cb -0.13 -2.33 0.57 0.00 -1.45 0.00 0.00 42.92 39.57 1no5 s ASP 82 CO 0.03 -1.03 1.83 -0.25 0.13 0.00 0.00 175.17 175.87 1no5 h TRP 83 N 9.13 1.14 0.00 -5.34 2.91 -1.76 -1.34 115.95 120.69 1no5 h TRP 83 Ca -0.28 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.78 1no5 h TRP 83 Cb 1.09 -0.36 -0.00 0.00 -0.51 0.00 0.00 29.16 29.38 1no5 h TRP 83 CO 0.81 0.44 -0.01 0.00 -1.03 0.00 0.00 178.44 178.65 1no5 h ALA 84 N 1.55 1.11 -0.01 2.65 0.00 -1.77 -1.11 119.26 121.69 1no5 h ALA 84 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1no5 h ALA 84 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1no5 h ALA 84 CO -0.27 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.23 1no5 n THR 85 N -3.25 1.68 -3.36 0.00 -2.24 -0.56 -4.82 114.28 101.72 1no5 n THR 85 Ca -0.03 -1.95 -0.38 0.00 -2.27 0.00 0.00 64.05 59.42 1no5 n THR 85 Cb 0.10 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 1no5 n THR 85 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1no5 s THR 86 N -2.42 4.94 0.72 4.28 2.01 -0.42 -5.02 115.64 119.73 1no5 s THR 86 Ca 0.25 1.03 -0.11 0.00 0.31 0.00 0.00 61.69 63.17 1no5 s THR 86 Cb 0.21 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.93 1no5 s THR 86 CO 0.03 0.52 1.07 -0.94 -0.69 0.00 0.00 174.62 174.60 1no5 s SER 87 N -0.73 5.11 0.17 3.53 1.04 -1.26 -4.80 113.70 116.76 1no5 s SER 87 Ca 0.27 1.66 -0.13 0.00 0.48 0.00 0.00 55.95 58.22 1no5 s SER 87 Cb -0.18 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.53 1no5 s SER 87 CO 0.15 -1.62 1.76 -0.08 0.98 0.00 0.00 173.24 174.43 1no5 h GLU 88 N -0.84 0.80 -0.63 4.02 4.57 -1.98 -0.90 114.58 119.62 1no5 h GLU 88 Ca -0.44 -0.11 0.10 0.00 -1.18 0.00 0.00 59.36 57.73 1no5 h GLU 88 Cb 1.22 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.59 1no5 h GLU 88 CO 0.55 0.64 0.24 -0.44 -1.18 0.00 0.00 179.01 178.82 1no5 h ASP 89 N 0.76 0.24 -0.01 1.04 5.19 -2.00 -0.49 116.42 121.15 1no5 h ASP 89 Ca 0.19 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1no5 h ASP 89 Cb 0.09 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 1no5 h ASP 89 CO -0.03 0.14 -0.00 0.15 -3.12 0.00 0.00 179.24 176.38 1no5 h PHE 90 N 0.42 0.02 -0.90 4.55 3.57 -1.86 -2.87 116.94 119.86 1no5 h PHE 90 Ca 0.32 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.04 1no5 h PHE 90 Cb 0.40 -0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.97 1no5 h PHE 90 CO -0.17 0.44 0.00 0.00 -2.23 0.00 0.00 178.31 176.36 1no5 h ARG 91 N -0.41 0.05 -0.46 1.11 3.08 -0.93 -0.71 114.38 116.12 1no5 h ARG 91 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1no5 h ARG 91 Cb 0.43 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1no5 h ARG 91 CO 0.00 0.03 0.12 0.93 -1.07 0.00 0.00 179.97 179.98 1no5 h GLU 92 N 0.05 0.68 -0.17 0.04 5.08 -0.99 -0.59 114.58 118.69 1no5 h GLU 92 Ca 0.52 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.61 1no5 h GLU 92 Cb 1.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1no5 h GLU 92 CO -0.83 0.62 -0.45 0.82 -1.00 0.00 0.00 179.01 178.17 1no5 h ILE 93 N 0.67 1.34 -1.00 3.13 2.04 -1.03 -2.97 117.51 119.68 1no5 h ILE 93 Ca 0.15 -1.70 0.03 0.00 1.00 0.00 0.00 64.86 64.33 1no5 h ILE 93 Cb 0.24 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 1no5 h ILE 93 CO -0.00 0.52 0.66 0.40 0.00 0.00 0.00 178.15 179.73 1no5 h ILE 94 N 0.26 1.21 0.00 -0.67 2.04 -0.78 -2.68 117.51 116.89 1no5 h ILE 94 Ca -0.01 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1no5 h ILE 94 Cb 1.06 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1no5 h ILE 94 CO 0.10 0.24 -0.11 0.03 0.00 0.00 0.00 178.15 178.41 1no5 h ARG 95 N 1.31 0.00 -0.74 2.37 3.08 -1.01 -2.71 114.38 116.67 1no5 h ARG 95 Ca 0.39 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.51 1no5 h ARG 95 Cb -0.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 1no5 h ARG 95 CO -0.11 0.11 0.49 0.87 -1.07 0.00 0.00 179.97 180.26 1no5 h LYS 96 N 0.00 0.72 -2.21 0.04 1.57 -1.32 -3.42 116.57 111.95 1no5 h LYS 96 Ca -0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1no5 h LYS 96 Cb 0.29 -0.16 -0.25 0.00 0.08 0.00 0.00 32.23 32.18 1no5 h LYS 96 CO 0.01 0.47 -0.32 0.08 -0.57 0.00 0.00 179.45 179.13 1no5 s VAL 97 N -5.67 -0.75 0.16 0.50 1.01 -1.02 -5.15 120.40 109.48 1no5 s VAL 97 Ca -0.10 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1no5 s VAL 97 Cb 0.20 -0.79 0.06 0.00 0.00 0.00 0.00 36.38 35.85 1no5 s VAL 97 CO 0.77 0.03 0.73 -0.72 0.00 0.00 0.00 175.10 175.91 1no5 s TYR 98 N 2.69 -0.36 -0.12 5.22 -0.85 -1.26 -4.66 117.35 118.01 1no5 s TYR 98 Ca 0.01 0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.65 1no5 s TYR 98 Cb -0.13 0.61 0.01 0.00 0.38 0.00 0.00 41.96 42.84 1no5 s TYR 98 CO -0.15 -0.90 -0.17 0.08 -1.52 0.00 0.00 175.55 172.88 1no5 s VAL 99 N -3.63 1.69 0.05 -3.49 1.01 -0.33 -4.97 120.40 110.73 1no5 s VAL 99 Ca 0.06 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 1no5 s VAL 99 Cb -0.02 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 1no5 s VAL 99 CO -0.05 0.48 1.25 -0.69 0.00 0.00 0.00 175.10 176.09 1no5 s VAL 100 N 1.01 3.92 -0.24 2.92 1.01 -1.26 -0.91 120.40 126.85 1no5 s VAL 100 Ca -0.05 1.36 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 1no5 s VAL 100 Cb -0.15 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 32.18 1no5 s VAL 100 CO -0.03 0.08 -0.13 -0.38 0.00 0.00 0.00 175.10 174.65 1no5 n ILE 101 N 4.08 1.55 -3.72 2.22 2.08 0.88 -4.93 119.36 121.52 1no5 n ILE 101 Ca 0.10 -0.53 -0.13 0.00 0.56 0.00 0.00 62.75 62.74 1no5 n ILE 101 Cb 0.45 -1.58 -0.09 0.00 -0.75 0.00 0.00 39.64 37.67 1no5 n ILE 101 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 1no5 s GLN 102 N -2.52 0.56 0.21 0.38 0.74 -0.97 -4.98 119.66 113.09 1no5 s GLN 102 Ca -0.33 0.53 0.07 0.00 0.05 0.00 0.00 55.36 55.68 1no5 s GLN 102 Cb 0.09 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.44 1no5 s GLN 102 CO 0.61 -0.08 0.11 -1.21 -0.55 0.00 0.00 175.29 174.17 1no5 s GLU 103 N 0.03 2.73 0.30 1.67 0.41 -1.26 -0.09 118.70 122.49 1no5 s GLU 103 Ca -0.02 -1.06 -0.30 0.00 -0.41 0.00 0.00 54.97 53.18 1no5 s GLU 103 Cb -0.03 -2.49 -0.12 0.00 -1.78 0.00 0.00 34.13 29.71 1no5 s GLU 103 CO 0.01 0.43 1.57 0.36 -0.49 0.00 0.00 175.26 177.14 1no5 n LYS 104 N -0.69 2.66 0.00 1.61 2.85 -1.25 -4.59 118.16 118.75 1no5 n LYS 104 Ca -0.08 0.95 0.00 0.00 -1.05 0.00 0.00 58.31 58.12 1no5 n LYS 104 Cb 0.57 -2.71 0.00 0.00 -0.65 0.00 0.00 35.03 32.23 1no5 n LYS 104 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50