#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhb n GLN 3 N 0.00 0.00 0.00 0.00 7.27 -1.26 -1.77 117.38 121.62 1jhb n GLN 3 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1jhb n GLN 3 Cb 0.00 -3.13 0.00 0.00 2.41 0.00 0.00 30.24 29.52 1jhb n GLN 3 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1jhb n GLU 4 N -1.33 0.00 -0.20 3.69 2.13 -1.26 -4.73 120.64 118.94 1jhb n GLU 4 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jhb n GLU 4 Cb 0.00 0.00 0.09 0.00 0.27 0.00 0.00 31.44 31.80 1jhb n GLU 4 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1jhb h PHE 5 N 0.00 -0.07 -0.03 4.31 3.04 -1.78 0.37 116.94 122.78 1jhb h PHE 5 Ca 0.00 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1jhb h PHE 5 Cb 0.00 0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1jhb h PHE 5 CO 0.00 -0.17 -0.09 0.28 -2.02 0.00 0.00 178.31 176.31 1jhb h VAL 6 N 0.10 1.46 -0.06 1.41 2.07 -1.91 -3.28 116.25 116.04 1jhb h VAL 6 Ca 0.31 -1.49 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1jhb h VAL 6 Cb 0.50 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1jhb h VAL 6 CO -0.53 0.40 -0.54 0.78 0.02 0.00 0.00 177.57 177.71 1jhb h ASN 7 N -0.45 0.20 1.71 0.57 2.35 -1.52 -2.27 115.58 116.17 1jhb h ASN 7 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1jhb h ASN 7 Cb 0.70 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1jhb h ASN 7 CO 0.02 0.70 0.00 0.00 -1.65 0.00 0.00 177.43 176.50 1jhb h LYS 9 N 0.00 -0.23 -6.95 0.00 1.79 -1.48 -3.46 116.57 106.24 1jhb h LYS 9 Ca 0.00 0.02 -0.50 0.00 -2.18 0.00 0.00 60.65 57.99 1jhb h LYS 9 Cb 0.85 0.05 0.04 0.00 -1.58 0.00 0.00 32.23 31.60 1jhb h LYS 9 CO 0.00 -0.14 0.47 0.42 -1.08 0.00 0.00 179.45 179.12 1jhb s ILE 10 N -2.34 3.34 0.06 1.86 1.01 -0.95 -4.98 121.20 119.19 1jhb s ILE 10 Ca -0.04 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.70 1jhb s ILE 10 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1jhb s ILE 10 CO 0.11 0.06 -0.05 0.00 0.00 0.00 0.00 174.94 175.07 1jhb s GLN 11 N -2.37 0.61 -1.31 2.79 -2.07 -1.26 -4.89 119.66 111.16 1jhb s GLN 11 Ca 0.58 -1.09 -0.14 0.00 -1.82 0.00 0.00 55.36 52.89 1jhb s GLN 11 Cb -0.28 0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 31.61 1jhb s GLN 11 CO 0.35 -0.05 2.32 -0.35 -1.32 0.00 0.00 175.29 176.24 1jhb n PRO 12 N 0.49 2.70 0.00 9.60 -0.04 -1.26 -3.00 135.00 143.49 1jhb n PRO 12 Ca -0.16 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1jhb n PRO 12 Cb 0.59 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 1jhb n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jhb n GLY 13 N 4.03 0.00 3.30 0.55 0.00 -1.26 -4.95 105.19 106.86 1jhb n GLY 13 Ca 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 1jhb n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jhb s LYS 14 N 0.00 1.24 -0.49 1.61 1.02 -1.16 -4.97 119.74 117.00 1jhb s LYS 14 Ca 0.00 -1.47 -0.01 0.00 0.02 0.00 0.00 55.97 54.50 1jhb s LYS 14 Cb 0.00 0.32 0.13 0.00 -0.52 0.00 0.00 37.83 37.76 1jhb s LYS 14 CO 0.00 -0.44 0.27 0.08 -0.92 0.00 0.00 175.35 174.34 1jhb s VAL 15 N -4.10 3.20 0.10 3.17 1.01 0.30 -0.23 120.40 123.86 1jhb s VAL 15 Ca 0.31 -2.56 -0.12 0.00 0.00 0.00 0.00 61.98 59.62 1jhb s VAL 15 Cb 0.05 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 1jhb s VAL 15 CO 0.09 -0.76 0.46 -0.69 0.00 0.00 0.00 175.10 174.20 1jhb s VAL 16 N 0.53 5.00 -0.12 2.92 1.01 0.06 -0.57 120.40 129.23 1jhb s VAL 16 Ca 0.13 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1jhb s VAL 16 Cb -0.22 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1jhb s VAL 16 CO -0.04 0.29 -0.03 -0.69 0.00 0.00 0.00 175.10 174.64 1jhb s VAL 17 N -1.40 0.75 -0.17 2.92 1.01 -0.28 -0.15 120.40 123.07 1jhb s VAL 17 Ca 0.34 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1jhb s VAL 17 Cb -0.15 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1jhb s VAL 17 CO 0.18 0.20 1.17 -0.36 0.00 0.00 0.00 175.10 176.29 1jhb s PHE 18 N 1.81 3.08 0.34 5.22 0.08 -0.90 -0.20 117.98 127.41 1jhb s PHE 18 Ca 0.03 1.22 0.04 0.00 0.12 0.00 0.00 56.93 58.34 1jhb s PHE 18 Cb -0.14 -3.40 -0.01 0.00 -0.57 0.00 0.00 43.02 38.90 1jhb s PHE 18 CO -0.07 -1.17 0.13 0.44 -0.10 0.00 0.00 175.22 174.46 1jhb n ILE 19 N 5.24 0.00 -4.21 0.64 -5.35 -0.18 -1.90 119.36 113.60 1jhb n ILE 19 Ca 0.13 -2.04 -0.12 0.00 -0.27 0.00 0.00 62.75 60.45 1jhb n ILE 19 Cb 0.46 0.75 -0.10 0.00 -1.74 0.00 0.00 39.64 39.01 1jhb n ILE 19 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1jhb s LYS 20 N -3.32 1.05 0.00 6.28 -2.85 -1.26 -0.52 119.74 119.12 1jhb s LYS 20 Ca 0.19 -1.50 0.26 0.00 -1.00 0.00 0.00 55.97 53.92 1jhb s LYS 20 Cb 0.01 -0.13 1.49 0.00 -2.06 0.00 0.00 37.83 37.14 1jhb s LYS 20 CO 0.13 -0.16 1.91 -0.35 0.10 0.00 0.00 175.35 176.99 1jhb n PRO 21 N -0.19 0.67 0.00 1.78 -0.04 -1.26 -4.45 135.00 131.50 1jhb n PRO 21 Ca -0.06 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1jhb n PRO 21 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1jhb n PRO 21 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jhb n THR 22 N -1.10 0.00 -1.86 0.52 -2.24 -1.26 -5.10 114.28 103.24 1jhb n THR 22 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1jhb n THR 22 Cb 0.13 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1jhb n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jhb n PRO 24 N 1.95 0.00 -0.00 0.00 -0.04 -1.26 -1.33 135.00 134.31 1jhb n PRO 24 Ca 0.00 0.34 -0.15 0.00 -0.04 0.00 0.00 63.50 63.64 1jhb n PRO 24 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 1jhb n PRO 24 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1jhb h TYR 25 N 0.00 0.26 0.48 0.54 0.05 -1.92 -2.40 116.97 113.98 1jhb h TYR 25 Ca 0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 1jhb h TYR 25 Cb 0.16 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1jhb h TYR 25 CO 0.00 1.40 -0.23 0.00 -1.05 0.00 0.00 178.16 178.28 1jhb h ARG 27 N -0.73 1.01 0.61 0.00 2.43 -1.33 0.17 114.38 116.53 1jhb h ARG 27 Ca -0.07 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1jhb h ARG 27 Cb 0.54 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1jhb h ARG 27 CO 0.11 0.67 -0.43 -0.09 -1.51 0.00 0.00 179.97 178.71 1jhb h ARG 28 N 1.04 -0.96 -0.93 0.20 9.65 -1.40 -2.27 114.38 119.71 1jhb h ARG 28 Ca 0.38 0.07 0.23 0.00 -1.10 0.00 0.00 59.98 59.56 1jhb h ARG 28 Cb 0.13 0.22 -0.06 0.00 -1.39 0.00 0.00 29.97 28.86 1jhb h ARG 28 CO -0.16 -0.64 0.63 0.00 2.80 0.00 0.00 179.97 182.60 1jhb h ALA 29 N -1.19 2.43 0.50 2.80 0.00 0.11 0.75 119.26 124.65 1jhb h ALA 29 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jhb h ALA 29 Cb 0.82 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1jhb h ALA 29 CO 0.04 -0.73 -0.28 1.96 0.00 0.00 0.00 179.25 180.25 1jhb h GLN 30 N 0.27 -0.70 -0.35 0.00 4.20 -0.48 0.11 115.11 118.16 1jhb h GLN 30 Ca 0.48 0.05 -0.15 0.00 0.06 0.00 0.00 58.65 59.09 1jhb h GLN 30 Cb 1.42 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.35 1jhb h GLN 30 CO -0.14 -0.47 -0.37 1.05 -0.67 0.00 0.00 178.83 178.24 1jhb h GLU 31 N -0.72 0.83 -0.20 1.46 4.11 -0.38 0.30 114.58 119.96 1jhb h GLU 31 Ca -0.06 -0.42 0.04 0.00 0.07 0.00 0.00 59.36 59.00 1jhb h GLU 31 Cb 0.58 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1jhb h GLU 31 CO 0.08 1.05 -0.07 0.82 0.07 0.00 0.00 179.01 180.96 1jhb h ILE 32 N 0.68 0.75 0.06 -1.06 2.04 -0.97 -2.50 117.51 116.50 1jhb h ILE 32 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1jhb h ILE 32 Cb 0.93 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1jhb h ILE 32 CO 0.09 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.14 1jhb h LEU 33 N -0.03 -0.07 -2.14 1.44 3.38 -0.55 -3.36 115.31 113.98 1jhb h LEU 33 Ca 0.10 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1jhb h LEU 33 Cb 0.19 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jhb h LEU 33 CO -0.23 0.62 -0.07 -1.28 0.09 0.00 0.00 178.44 177.57 1jhb h SER 34 N -0.88 0.00 0.00 -0.43 0.87 -0.40 -1.22 113.55 111.49 1jhb h SER 34 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jhb h SER 34 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1jhb h SER 34 CO 0.01 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.39 1jhb n GLN 35 N -3.66 0.70 -3.20 2.24 6.02 -0.95 -4.69 117.38 113.85 1jhb n GLN 35 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.62 1jhb n GLN 35 Cb 0.18 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 1jhb n GLN 35 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jhb s LEU 36 N -1.92 4.27 -1.08 1.08 1.43 -0.46 -4.99 118.68 117.01 1jhb s LEU 36 Ca 0.31 1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 54.59 1jhb s LEU 36 Cb 0.14 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.62 1jhb s LEU 36 CO 0.24 -0.01 2.96 -0.81 0.23 0.00 0.00 176.35 178.96 1jhb n PRO 37 N 0.45 2.97 -2.40 1.29 -0.04 -1.26 -4.93 135.00 131.07 1jhb n PRO 37 Ca -0.02 -1.74 -0.34 0.00 -0.04 0.00 0.00 63.50 61.36 1jhb n PRO 37 Cb 0.52 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 1jhb n PRO 37 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jhb s ILE 38 N 2.06 3.76 -0.02 0.52 1.01 -1.26 -2.94 121.20 124.34 1jhb s ILE 38 Ca 0.63 1.03 -0.35 0.00 0.00 0.00 0.00 60.65 61.96 1jhb s ILE 38 Cb 0.20 -3.43 -0.13 0.00 0.01 0.00 0.00 42.46 39.11 1jhb s ILE 38 CO -0.04 -0.30 1.73 0.29 0.00 0.00 0.00 174.94 176.62 1jhb n LYS 39 N -1.25 1.99 -2.04 2.79 4.76 0.83 -4.84 118.16 120.40 1jhb n LYS 39 Ca 0.09 0.72 -0.42 0.00 -2.87 0.00 0.00 58.31 55.84 1jhb n LYS 39 Cb 0.52 -2.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.17 1jhb n LYS 39 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1jhb s GLN 40 N 2.77 4.28 0.00 1.97 2.00 -1.26 -1.53 119.66 127.89 1jhb s GLN 40 Ca 0.88 2.26 0.00 0.00 -2.00 0.00 0.00 55.36 56.50 1jhb s GLN 40 Cb -0.75 -3.14 0.00 0.00 0.80 0.00 0.00 33.01 29.92 1jhb s GLN 40 CO 0.48 -0.44 0.00 0.41 -0.50 0.00 0.00 175.29 175.24 1jhb n GLY 41 N 2.69 1.73 0.21 2.59 0.00 -1.26 -4.93 105.19 106.23 1jhb n GLY 41 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1jhb n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jhb h LEU 42 N 0.00 0.90 -8.46 0.99 3.38 -1.64 -3.43 115.31 107.06 1jhb h LEU 42 Ca 0.00 -0.63 -0.59 0.00 0.09 0.00 0.00 57.88 56.75 1jhb h LEU 42 Cb 0.00 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 40.37 1jhb h LEU 42 CO 0.00 1.43 0.72 -0.22 0.09 0.00 0.00 178.44 180.46 1jhb s LEU 43 N -8.29 3.87 -0.22 1.67 1.98 -1.25 -0.54 118.68 115.91 1jhb s LEU 43 Ca -0.10 -0.36 0.02 0.00 -2.89 0.00 0.00 54.13 50.80 1jhb s LEU 43 Cb 0.08 -2.80 0.04 0.00 0.66 0.00 0.00 46.19 44.17 1jhb s LEU 43 CO 0.91 -1.40 -0.12 -0.70 -1.89 0.00 0.00 176.35 173.15 1jhb s GLU 44 N 4.43 2.24 0.03 1.98 2.12 0.27 -4.99 118.70 124.77 1jhb s GLU 44 Ca 0.32 -1.00 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 1jhb s GLU 44 Cb -0.11 -2.59 -0.05 0.00 0.26 0.00 0.00 34.13 31.63 1jhb s GLU 44 CO 0.19 -0.44 0.81 -0.06 -0.54 0.00 0.00 175.26 175.21 1jhb s PHE 45 N 1.29 3.71 -0.33 5.30 0.08 -1.26 -1.13 117.98 125.64 1jhb s PHE 45 Ca -0.03 1.51 0.02 0.00 0.12 0.00 0.00 56.93 58.55 1jhb s PHE 45 Cb -0.17 -2.88 0.10 0.00 -0.57 0.00 0.00 43.02 39.50 1jhb s PHE 45 CO -0.08 0.20 0.07 0.08 -0.10 0.00 0.00 175.22 175.39 1jhb s VAL 46 N 0.22 1.69 -0.21 -0.44 1.01 0.72 -4.92 120.40 118.47 1jhb s VAL 46 Ca 0.41 -1.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1jhb s VAL 46 Cb -0.20 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1jhb s VAL 46 CO 0.24 -0.62 1.91 -0.62 0.00 0.00 0.00 175.10 176.01 1jhb s ASP 47 N 1.21 5.96 0.00 3.32 -1.08 -1.26 -1.01 116.67 123.81 1jhb s ASP 47 Ca 0.10 1.79 0.12 0.00 -0.52 0.00 0.00 52.55 54.04 1jhb s ASP 47 Cb -0.18 -2.52 0.51 0.00 -1.46 0.00 0.00 42.92 39.27 1jhb s ASP 47 CO -0.15 -1.57 1.36 2.30 0.52 0.00 0.00 175.17 177.63 1jhb n ILE 48 N 6.98 1.12 1.15 4.11 -5.35 0.32 -1.39 119.36 126.30 1jhb n ILE 48 Ca 0.24 0.28 0.13 0.00 -0.27 0.00 0.00 62.75 63.12 1jhb n ILE 48 Cb 0.45 -1.08 0.36 0.00 -1.74 0.00 0.00 39.64 37.63 1jhb n ILE 48 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1jhb n THR 49 N -1.47 0.00 0.32 7.28 -2.24 -1.26 -2.55 114.28 114.36 1jhb n THR 49 Ca 0.03 -0.06 0.19 0.00 -2.27 0.00 0.00 64.05 61.94 1jhb n THR 49 Cb 0.13 0.24 1.08 0.00 -2.10 0.00 0.00 70.33 69.68 1jhb n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jhb h ALA 50 N 3.35 1.26 0.00 6.98 0.00 -1.62 -0.65 119.26 128.58 1jhb h ALA 50 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jhb h ALA 50 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jhb h ALA 50 CO 0.00 -0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.49 1jhb n THR 51 N -3.44 0.26 -0.13 0.00 -2.24 -1.26 -5.01 114.28 102.46 1jhb n THR 51 Ca -0.03 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1jhb n THR 51 Cb 0.08 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1jhb n THR 51 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jhb n ASN 52 N -0.13 0.00 -0.36 3.42 5.15 -0.25 -4.80 115.26 118.29 1jhb n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1jhb n ASN 52 Cb 0.08 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 37.98 1jhb n ASN 52 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1jhb n HIS 53 N -1.36 0.00 -0.22 1.20 8.25 -1.26 -4.25 115.22 117.58 1jhb n HIS 53 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1jhb n HIS 53 Cb 0.00 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 1jhb n HIS 53 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1jhb n THR 54 N 0.07 -0.35 0.17 1.59 5.66 -1.06 -0.71 114.28 119.65 1jhb n THR 54 Ca 0.00 1.59 0.16 0.00 -3.05 0.00 0.00 64.05 62.76 1jhb n THR 54 Cb 0.07 -2.00 0.59 0.00 -1.55 0.00 0.00 70.33 67.44 1jhb n THR 54 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1jhb h ASN 55 N 0.00 0.00 0.00 1.09 -0.26 -1.90 0.28 115.58 114.79 1jhb h ASN 55 Ca 0.08 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.58 1jhb h ASN 55 Cb 0.21 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.43 1jhb h ASN 55 CO -0.49 0.00 -1.93 -1.84 -1.06 0.00 0.00 177.43 172.12 1jhb n GLU 56 N -3.13 1.71 0.06 0.81 0.28 -0.27 -4.34 120.64 115.76 1jhb n GLU 56 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.01 1jhb n GLU 56 Cb 0.76 -1.34 0.16 0.00 1.43 0.00 0.00 31.44 32.44 1jhb n GLU 56 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1jhb h ILE 57 N 0.00 1.32 0.17 3.84 2.04 0.81 -0.09 117.51 125.60 1jhb h ILE 57 Ca -0.37 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 63.85 1jhb h ILE 57 Cb 1.81 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1jhb h ILE 57 CO 0.01 0.50 -0.08 1.56 0.00 0.00 0.00 178.15 180.14 1jhb h GLN 58 N 0.29 -0.22 -0.06 2.37 4.20 -0.77 0.80 115.11 121.71 1jhb h GLN 58 Ca 0.02 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1jhb h GLN 58 Cb 0.91 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.68 1jhb h GLN 58 CO 0.08 0.06 -0.31 0.22 -0.67 0.00 0.00 178.83 178.21 1jhb h ASP 59 N -0.50 -0.94 -0.66 1.46 1.82 -1.73 -1.55 116.42 114.32 1jhb h ASP 59 Ca -0.02 0.13 0.12 0.00 -0.39 0.00 0.00 57.03 56.87 1jhb h ASP 59 Cb 0.38 0.39 -0.09 0.00 0.68 0.00 0.00 39.33 40.69 1jhb h ASP 59 CO 0.04 -0.36 0.18 0.22 -1.61 0.00 0.00 179.24 177.71 1jhb h TYR 60 N -0.42 0.30 -0.38 0.28 5.03 -0.88 -0.20 116.97 120.69 1jhb h TYR 60 Ca 0.08 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.36 1jhb h TYR 60 Cb 0.54 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1jhb h TYR 60 CO -0.36 -0.01 -0.04 -0.07 -1.32 0.00 0.00 178.16 176.36 1jhb h LEU 61 N 0.32 0.59 0.41 2.82 3.38 -0.31 0.70 115.31 123.23 1jhb h LEU 61 Ca 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1jhb h LEU 61 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jhb h LEU 61 CO -0.41 0.69 -0.20 -0.61 0.09 0.00 0.00 178.44 178.00 1jhb h GLN 62 N 0.58 -0.53 -0.70 1.13 4.15 -0.14 0.44 115.11 120.04 1jhb h GLN 62 Ca 0.12 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.59 1jhb h GLN 62 Cb 0.43 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 1jhb h GLN 62 CO 0.02 -0.27 0.46 0.37 -1.93 0.00 0.00 178.83 177.49 1jhb h GLN 63 N -0.73 0.88 0.05 1.69 -0.00 -0.90 -1.00 115.11 115.10 1jhb h GLN 63 Ca -0.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1jhb h GLN 63 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.80 1jhb h GLN 63 CO 0.09 0.58 -0.02 1.25 0.00 0.00 0.00 178.83 180.73 1jhb h LEU 64 N 0.90 -0.05 0.00 -2.39 5.85 -0.86 -3.44 115.31 115.32 1jhb h LEU 64 Ca 0.27 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1jhb h LEU 64 Cb -0.03 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1jhb h LEU 64 CO -0.07 0.68 0.00 0.35 -0.34 0.00 0.00 178.44 179.06 1jhb n THR 65 N -4.76 0.00 0.00 1.05 -2.24 0.14 -5.06 114.28 103.41 1jhb n THR 65 Ca -0.08 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1jhb n THR 65 Cb 0.32 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1jhb n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhb n GLY 66 N 2.12 0.00 2.97 3.38 0.00 -0.40 -5.01 105.19 108.24 1jhb n GLY 66 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1jhb n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhb s ALA 67 N 0.00 0.22 0.12 4.61 0.00 -1.26 -4.91 121.76 120.55 1jhb s ALA 67 Ca 0.00 -0.45 0.09 0.00 0.00 0.00 0.00 51.96 51.60 1jhb s ALA 67 Cb 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 1jhb s ALA 67 CO 0.00 -0.06 1.36 0.07 0.00 0.00 0.00 175.76 177.13 1jhb h ARG 68 N 5.13 0.00 -6.73 0.00 -0.00 -1.83 -3.03 114.38 107.92 1jhb h ARG 68 Ca -0.30 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.15 1jhb h ARG 68 Cb 1.21 0.00 0.06 0.00 -0.00 0.00 0.00 29.97 31.24 1jhb h ARG 68 CO 0.44 0.88 0.87 0.95 -0.00 0.00 0.00 179.97 183.12 1jhb s THR 69 N -2.89 2.31 0.35 0.08 -4.23 -1.26 -4.78 115.64 105.23 1jhb s THR 69 Ca 0.01 0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 60.67 1jhb s THR 69 Cb 0.10 -3.16 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 1jhb s THR 69 CO 0.80 0.03 0.69 0.68 -0.54 0.00 0.00 174.62 176.29 1jhb s VAL 70 N 0.41 4.85 0.75 2.29 -7.23 -1.26 -4.16 120.40 116.04 1jhb s VAL 70 Ca 0.65 0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 61.19 1jhb s VAL 70 Cb -0.46 -3.71 0.05 0.00 0.56 0.00 0.00 36.38 32.82 1jhb s VAL 70 CO 0.41 -0.40 1.14 -2.16 -0.31 0.00 0.00 175.10 173.77 1jhb s PRO 71 N -3.61 2.20 -0.27 4.82 0.04 -1.26 -4.71 135.00 132.20 1jhb s PRO 71 Ca 0.49 1.46 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1jhb s PRO 71 Cb -0.10 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.64 1jhb s PRO 71 CO 0.29 -1.73 -0.02 1.03 0.04 0.00 0.00 177.00 176.61 1jhb s ARG 72 N -4.34 1.57 0.00 4.56 1.81 -0.80 -4.23 118.95 117.52 1jhb s ARG 72 Ca 0.67 -1.24 -0.30 0.00 -1.72 0.00 0.00 55.73 53.15 1jhb s ARG 72 Cb -0.22 -2.69 -0.03 0.00 -0.45 0.00 0.00 34.95 31.56 1jhb s ARG 72 CO 0.49 -0.71 1.01 0.08 -0.68 0.00 0.00 175.30 175.49 1jhb s VAL 73 N 1.28 4.75 -0.47 3.52 1.01 -0.89 -2.11 120.40 127.48 1jhb s VAL 73 Ca -0.01 1.98 0.03 0.00 0.00 0.00 0.00 61.98 63.97 1jhb s VAL 73 Cb -0.19 -4.27 0.12 0.00 0.00 0.00 0.00 36.38 32.05 1jhb s VAL 73 CO -0.09 0.14 0.21 -0.36 0.00 0.00 0.00 175.10 175.01 1jhb s PHE 74 N 1.10 3.43 -0.28 5.22 0.08 0.79 -1.22 117.98 127.09 1jhb s PHE 74 Ca 0.53 -3.01 -0.26 0.00 0.12 0.00 0.00 56.93 54.31 1jhb s PHE 74 Cb -0.22 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1jhb s PHE 74 CO 0.27 -0.84 0.89 0.42 -0.10 0.00 0.00 175.22 175.87 1jhb s ILE 75 N 0.22 4.73 -0.91 0.64 1.09 -0.95 -0.76 121.20 125.26 1jhb s ILE 75 Ca 0.14 1.52 -0.07 0.00 -1.10 0.00 0.00 60.65 61.14 1jhb s ILE 75 Cb -0.23 -4.22 0.01 0.00 -1.06 0.00 0.00 42.46 36.97 1jhb s ILE 75 CO -0.03 -0.24 0.62 0.61 -0.10 0.00 0.00 174.94 175.79 1jhb n GLY 76 N 3.89 -1.22 1.93 6.18 0.00 0.68 -0.77 105.19 115.88 1jhb n GLY 76 Ca 0.07 0.55 -0.07 0.00 0.00 0.00 0.00 46.02 46.57 1jhb n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jhb n LYS 77 N -3.15 -1.76 -3.91 1.61 0.00 -1.20 -4.58 118.16 105.17 1jhb n LYS 77 Ca -0.28 0.38 -0.30 0.00 0.00 0.00 0.00 58.31 58.10 1jhb n LYS 77 Cb 0.67 -4.69 -0.15 0.00 0.00 0.00 0.00 35.03 30.86 1jhb n LYS 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jhb s ASP 78 N -1.77 4.42 -0.11 3.14 2.15 0.05 -5.04 116.67 119.50 1jhb s ASP 78 Ca 0.00 -2.19 -0.29 0.00 0.43 0.00 0.00 52.55 50.50 1jhb s ASP 78 Cb 0.00 -1.38 -0.04 0.00 -0.30 0.00 0.00 42.92 41.19 1jhb s ASP 78 CO 0.00 -0.36 1.65 0.00 -0.17 0.00 0.00 175.17 176.29 1jhb h ILE 80 N 5.80 0.22 0.00 0.00 -0.00 -1.51 -3.49 117.51 118.53 1jhb h ILE 80 Ca -0.37 -1.34 0.00 0.00 -0.00 0.00 0.00 64.86 63.15 1jhb h ILE 80 Cb 1.17 1.95 0.00 0.00 -0.00 0.00 0.00 36.82 39.94 1jhb h ILE 80 CO 0.97 0.13 0.00 0.61 -0.00 0.00 0.00 178.15 179.85 1jhb n GLY 81 N 1.18 0.91 0.00 0.16 0.00 -1.26 -4.84 105.19 101.34 1jhb n GLY 81 Ca 0.01 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1jhb n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jhb n GLY 82 N 0.00 -0.04 1.11 -0.02 0.00 -1.26 -2.10 105.19 102.87 1jhb n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jhb n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhb h SER 84 N 0.00 1.04 0.67 0.00 0.02 -1.97 -1.11 113.55 112.20 1jhb h SER 84 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1jhb h SER 84 Cb 0.00 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.30 1jhb h SER 84 CO 0.00 0.72 -0.33 0.44 -1.14 0.00 0.00 176.83 176.52 1jhb h ASP 85 N 1.21 -0.79 -0.96 3.07 3.32 -1.92 -3.02 116.42 117.33 1jhb h ASP 85 Ca 0.38 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.53 1jhb h ASP 85 Cb 0.00 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1jhb h ASP 85 CO -0.12 -0.56 0.62 0.25 -1.72 0.00 0.00 179.24 177.72 1jhb h LEU 86 N -0.91 0.97 -0.64 1.55 7.12 -1.52 0.10 115.31 121.98 1jhb h LEU 86 Ca -0.09 0.01 -0.07 0.00 0.13 0.00 0.00 57.88 57.86 1jhb h LEU 86 Cb 0.70 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 1jhb h LEU 86 CO 0.15 0.61 0.13 0.58 -0.13 0.00 0.00 178.44 179.77 1jhb h VAL 87 N 1.09 1.26 0.08 1.05 2.07 -1.30 -0.85 116.25 119.65 1jhb h VAL 87 Ca 0.42 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1jhb h VAL 87 Cb 0.23 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1jhb h VAL 87 CO -0.17 0.37 -0.04 0.28 0.02 0.00 0.00 177.57 178.02 1jhb h SER 88 N 0.96 -0.09 -0.86 0.57 0.02 -0.72 -0.40 113.55 113.03 1jhb h SER 88 Ca 0.20 -0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.15 1jhb h SER 88 Cb 0.39 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 1jhb h SER 88 CO 0.01 0.04 0.56 -0.07 -1.14 0.00 0.00 176.83 176.22 1jhb h LEU 89 N -0.22 0.76 0.63 5.07 4.07 -1.05 0.20 115.31 124.77 1jhb h LEU 89 Ca -0.01 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 1jhb h LEU 89 Cb 0.19 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 41.79 1jhb h LEU 89 CO 0.02 0.45 -0.30 -0.61 -1.08 0.00 0.00 178.44 176.91 1jhb h GLN 90 N 0.84 -0.82 -0.39 1.13 4.15 -0.62 0.42 115.11 119.82 1jhb h GLN 90 Ca 0.40 0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.79 1jhb h GLN 90 Cb 0.42 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1jhb h GLN 90 CO -0.17 -0.50 -0.08 0.37 -1.93 0.00 0.00 178.83 176.53 1jhb h GLN 91 N -1.03 0.75 0.15 1.69 -0.00 0.02 -2.51 115.11 114.18 1jhb h GLN 91 Ca -0.09 -0.28 -0.01 0.00 -0.00 0.00 0.00 58.65 58.28 1jhb h GLN 91 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.13 1jhb h GLN 91 CO 0.14 0.88 -0.07 1.03 0.00 0.00 0.00 178.83 180.80 1jhb h SER 92 N 0.56 -0.17 0.00 -0.69 0.87 -0.82 -3.48 113.55 109.82 1jhb h SER 92 Ca 0.10 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1jhb h SER 92 Cb 0.59 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1jhb h SER 92 CO 0.04 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 1jhb n GLY 93 N -0.49 0.88 0.30 5.77 0.00 -0.28 -5.00 105.19 106.38 1jhb n GLY 93 Ca -0.09 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.11 1jhb n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jhb h GLU 94 N 1.99 0.00 -0.53 1.61 4.81 -1.36 -1.65 114.58 119.46 1jhb h GLU 94 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1jhb h GLU 94 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1jhb h GLU 94 CO 0.00 0.04 0.18 1.25 -0.73 0.00 0.00 179.01 179.75 1jhb h LEU 95 N 0.00 0.17 0.10 1.64 5.85 -1.32 -1.07 115.31 120.67 1jhb h LEU 95 Ca -0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1jhb h LEU 95 Cb 0.16 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1jhb h LEU 95 CO 0.00 0.11 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.10 1jhb h LEU 96 N 0.35 -0.11 -0.62 2.25 4.07 -1.53 -1.70 115.31 118.02 1jhb h LEU 96 Ca 0.26 -0.11 0.10 0.00 0.08 0.00 0.00 57.88 58.20 1jhb h LEU 96 Cb 0.31 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.00 1jhb h LEU 96 CO -0.28 0.04 0.23 0.74 -1.08 0.00 0.00 178.44 178.10 1jhb h THR 97 N -0.27 0.76 0.20 0.22 2.02 -1.55 0.87 112.91 115.16 1jhb h THR 97 Ca -0.01 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1jhb h THR 97 Cb 0.22 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1jhb h THR 97 CO 0.02 0.08 -0.35 -0.09 0.37 0.00 0.00 175.52 175.55 1jhb h ARG 98 N 0.41 -0.60 -0.00 6.66 9.65 -0.72 -1.89 114.38 127.88 1jhb h ARG 98 Ca 0.31 0.04 -0.17 0.00 -1.10 0.00 0.00 59.98 59.07 1jhb h ARG 98 Cb 0.39 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 1jhb h ARG 98 CO -0.31 -0.40 -0.78 1.37 2.80 0.00 0.00 179.97 182.65 1jhb h LEU 99 N -0.63 0.07 -1.99 3.80 8.10 -0.96 -2.61 115.31 121.09 1jhb h LEU 99 Ca 0.01 -0.05 0.05 0.00 0.11 0.00 0.00 57.88 58.00 1jhb h LEU 99 Cb 0.62 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.81 1jhb h LEU 99 CO -0.15 0.81 0.14 0.11 -4.11 0.00 0.00 178.44 175.24 1jhb h LYS 100 N 0.03 0.02 0.00 0.17 1.57 -0.72 -0.95 116.57 116.69 1jhb h LYS 100 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1jhb h LYS 100 Cb 1.37 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1jhb h LYS 100 CO 0.11 0.01 0.00 0.94 -0.57 0.00 0.00 179.45 179.94 1jhb n GLN 101 N -4.48 0.00 0.00 3.15 7.27 -0.72 -0.97 117.38 121.63 1jhb n GLN 101 Ca 0.02 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1jhb n GLN 101 Cb 0.26 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.41 1jhb n GLN 101 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1jhb n ILE 102 N -1.44 0.83 -2.89 1.69 -5.35 -0.38 -5.02 119.36 106.80 1jhb n ILE 102 Ca 0.00 -0.89 -0.14 0.00 -0.27 0.00 0.00 62.75 61.45 1jhb n ILE 102 Cb 0.00 0.59 0.03 0.00 -1.74 0.00 0.00 39.64 38.53 1jhb n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jhb n GLY 103 N -0.42 -0.04 0.27 3.28 0.00 -0.14 -4.82 105.19 103.32 1jhb n GLY 103 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1jhb n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhb h ALA 104 N 0.63 -0.81 -2.73 4.61 0.00 -1.70 -3.45 119.26 115.81 1jhb h ALA 104 Ca -0.34 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 53.92 1jhb h ALA 104 Cb 1.23 0.26 0.04 0.00 0.00 0.00 0.00 17.79 19.31 1jhb h ALA 104 CO 0.36 -0.76 0.49 -0.51 0.00 0.00 0.00 179.25 178.83 1jhb s LEU 105 N -8.19 4.33 0.00 0.00 1.43 -1.26 -0.12 118.68 114.87 1jhb s LEU 105 Ca -0.10 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 1jhb s LEU 105 Cb 0.01 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1jhb s LEU 105 CO 0.29 -0.45 0.00 1.67 0.23 0.00 0.00 176.35 178.09