#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hss s TYR 7 N 1.32 3.15 0.08 0.00 2.02 -1.26 -4.88 117.35 117.78 1hss s TYR 7 Ca 0.06 1.21 -0.36 0.00 -0.37 0.00 0.00 57.07 57.61 1hss s TYR 7 Cb -0.26 -3.65 -0.16 0.00 -0.40 0.00 0.00 41.96 37.48 1hss s TYR 7 CO 0.00 -0.78 1.39 -2.30 -1.57 0.00 0.00 175.55 172.29 1hss n PRO 8 N 6.83 1.28 0.00 -1.71 -0.02 -1.26 -0.95 135.00 139.16 1hss n PRO 8 Ca 0.12 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1hss n PRO 8 Cb 0.47 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1hss n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hss n GLY 9 N 2.71 1.39 0.13 -1.23 0.00 0.11 -4.79 105.19 103.51 1hss n GLY 9 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1hss n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hss n GLN 10 N -1.82 0.00 0.11 1.61 10.64 -0.69 -4.72 117.38 122.50 1hss n GLN 10 Ca 0.00 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1hss n GLN 10 Cb 0.00 -0.59 0.28 0.00 -0.86 0.00 0.00 30.24 29.07 1hss n GLN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hss h ALA 11 N 0.00 1.24 -2.45 2.61 0.00 -1.35 -3.45 119.26 115.85 1hss h ALA 11 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1hss h ALA 11 Cb 0.25 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 17.76 1hss h ALA 11 CO 0.00 0.52 -0.20 -0.59 0.00 0.00 0.00 179.25 178.99 1hss s PHE 12 N -4.27 -0.24 0.54 0.00 -0.12 -1.26 -4.70 117.98 107.93 1hss s PHE 12 Ca -0.04 0.34 -0.21 0.00 -0.05 0.00 0.00 56.93 56.97 1hss s PHE 12 Cb 0.14 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.63 1hss s PHE 12 CO 0.76 -0.45 1.24 1.14 -0.05 0.00 0.00 175.22 177.86 1hss s GLN 13 N -1.56 3.25 -0.03 1.99 -2.07 -1.26 -0.71 119.66 119.27 1hss s GLN 13 Ca -0.11 1.93 0.04 0.00 -1.82 0.00 0.00 55.36 55.40 1hss s GLN 13 Cb -0.04 -2.16 -0.01 0.00 -1.09 0.00 0.00 33.01 29.71 1hss s GLN 13 CO 0.04 -1.01 -0.15 0.08 -1.32 0.00 0.00 175.29 172.92 1hss s VAL 14 N -1.49 1.26 0.30 3.63 1.01 -1.26 -3.14 120.40 120.71 1hss s VAL 14 Ca 0.72 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1hss s VAL 14 Cb -0.33 -1.08 -0.11 0.00 0.00 0.00 0.00 36.38 34.86 1hss s VAL 14 CO 0.38 0.37 1.61 -0.81 0.00 0.00 0.00 175.10 176.64 1hss n PRO 15 N 3.01 2.75 -2.18 2.72 -0.04 -1.26 -4.98 135.00 135.02 1hss n PRO 15 Ca -0.17 0.98 -0.41 0.00 -0.04 0.00 0.00 63.50 63.86 1hss n PRO 15 Cb 0.54 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 1hss n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hss s ALA 16 N -0.03 3.54 -1.01 0.55 0.00 -1.19 -4.33 121.76 119.29 1hss s ALA 16 Ca 0.63 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 1hss s ALA 16 Cb -0.48 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.13 1hss s ALA 16 CO 0.49 -0.57 0.75 1.28 0.00 0.00 0.00 175.76 177.71 1hss n LEU 17 N 2.59 -3.41 -0.21 0.00 4.77 -1.26 -4.65 117.00 114.83 1hss n LEU 17 Ca 0.06 -0.84 0.10 0.00 -0.03 0.00 0.00 56.01 55.30 1hss n LEU 17 Cb 0.42 -2.43 0.39 0.00 -2.33 0.00 0.00 43.42 39.47 1hss n LEU 17 CO 0.58 0.18 1.22 -0.65 -1.33 0.00 0.00 177.39 177.39 1hss h PRO 18 N -1.21 0.64 0.00 3.23 0.11 -1.96 -1.22 132.00 131.59 1hss h PRO 18 Ca -0.55 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 1hss h PRO 18 Cb 1.31 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1hss h PRO 18 CO 0.43 0.42 -0.01 0.00 -0.21 0.00 0.00 178.00 178.63 1hss h ALA 19 N 1.61 1.00 0.00 -0.75 0.00 -1.89 -3.18 119.26 116.05 1hss h ALA 19 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1hss h ALA 19 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1hss h ALA 19 CO -0.15 0.01 -1.13 0.00 0.00 0.00 0.00 179.25 177.99 1hss h ARG 21 N 0.00 0.81 -0.22 0.00 2.47 -1.49 -1.75 114.38 114.20 1hss h ARG 21 Ca 0.00 -0.31 -0.06 0.00 -1.26 0.00 0.00 59.98 58.35 1hss h ARG 21 Cb 0.87 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 1hss h ARG 21 CO 0.00 0.93 -0.14 -1.00 0.56 0.00 0.00 179.97 180.32 1hss h PRO 22 N 0.63 0.36 -0.15 0.04 0.13 -1.73 -2.51 132.00 128.77 1hss h PRO 22 Ca 0.11 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1hss h PRO 22 Cb 0.63 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1hss h PRO 22 CO 0.04 0.50 0.05 1.25 -0.23 0.00 0.00 178.00 179.62 1hss h LEU 23 N 0.34 0.07 -1.30 1.56 5.85 -1.67 -2.77 115.31 117.39 1hss h LEU 23 Ca 0.07 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1hss h LEU 23 Cb 0.45 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1hss h LEU 23 CO 0.03 0.06 0.13 0.25 -0.34 0.00 0.00 178.44 178.57 1hss h LEU 24 N 0.13 0.56 -0.86 2.25 5.85 -1.00 -0.74 115.31 121.49 1hss h LEU 24 Ca 0.06 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1hss h LEU 24 Cb 0.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1hss h LEU 24 CO -0.06 0.54 -0.46 0.03 -0.34 0.00 0.00 178.44 178.15 1hss h ARG 25 N 0.60 0.00 0.02 1.25 3.08 -1.41 -1.47 114.38 116.45 1hss h ARG 25 Ca 0.14 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 1hss h ARG 25 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1hss h ARG 25 CO -0.01 0.46 -0.46 -0.07 -1.07 0.00 0.00 179.97 178.83 1hss h LEU 26 N 0.00 0.36 -0.86 3.04 3.38 -1.18 -3.37 115.31 116.68 1hss h LEU 26 Ca -0.00 -0.81 -0.10 0.00 0.09 0.00 0.00 57.88 57.05 1hss h LEU 26 Cb 0.97 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1hss h LEU 26 CO 0.06 1.13 -0.24 1.56 0.09 0.00 0.00 178.44 181.04 1hss h GLN 27 N -0.37 0.57 0.00 1.13 4.20 -1.02 -1.83 115.11 117.79 1hss h GLN 27 Ca -0.06 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1hss h GLN 27 Cb 1.22 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1hss h GLN 27 CO 0.09 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 179.02 1hss n ASN 29 N -2.07 1.77 -1.04 0.00 2.04 -1.22 -4.57 115.26 110.17 1hss n ASN 29 Ca 0.02 -2.98 -0.11 0.00 -0.44 0.00 0.00 54.58 51.07 1hss n ASN 29 Cb 0.20 -0.40 -0.03 0.00 -2.53 0.00 0.00 39.78 37.02 1hss n ASN 29 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1hss n GLY 30 N -1.04 0.67 3.70 4.83 0.00 -0.60 -5.00 105.19 107.75 1hss n GLY 30 Ca 0.13 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1hss n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hss s SER 31 N -2.72 3.35 0.12 1.61 0.01 -0.70 -4.99 113.70 110.38 1hss s SER 31 Ca 0.00 1.74 -0.30 0.00 1.31 0.00 0.00 55.95 58.70 1hss s SER 31 Cb 0.00 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 1hss s SER 31 CO 0.00 -2.76 1.22 -1.58 0.41 0.00 0.00 173.24 170.53 1hss s GLN 32 N -4.81 4.45 -0.27 12.44 0.74 -1.26 -4.66 119.66 126.28 1hss s GLN 32 Ca 0.64 1.84 -0.08 0.00 0.05 0.00 0.00 55.36 57.81 1hss s GLN 32 Cb -0.20 -3.29 -0.02 0.00 1.10 0.00 0.00 33.01 30.61 1hss s GLN 32 CO 0.58 -0.20 0.09 0.14 -0.55 0.00 0.00 175.29 175.34 1hss s VAL 33 N 0.61 4.30 0.40 1.34 -7.23 -1.26 -5.00 120.40 113.55 1hss s VAL 33 Ca 0.57 -0.34 -0.24 0.00 -1.81 0.00 0.00 61.98 60.16 1hss s VAL 33 Cb -0.31 -3.10 -0.12 0.00 0.56 0.00 0.00 36.38 33.41 1hss s VAL 33 CO 0.32 0.22 0.79 -2.65 -0.31 0.00 0.00 175.10 173.47 1hss n PRO 34 N 4.92 0.94 -0.34 4.82 -0.02 -1.26 -4.91 135.00 139.15 1hss n PRO 34 Ca -0.15 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.67 1hss n PRO 34 Cb 0.50 -1.74 0.14 0.00 -0.02 0.00 0.00 33.50 32.38 1hss n PRO 34 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1hss h GLU 35 N 1.22 1.07 -0.90 -0.52 4.39 -2.00 -2.79 114.58 115.06 1hss h GLU 35 Ca -0.41 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.29 1hss h GLU 35 Cb 1.37 -0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 29.71 1hss h GLU 35 CO 0.55 0.71 0.56 0.00 -1.16 0.00 0.00 179.01 179.67 1hss h ALA 36 N 1.41 1.26 0.03 3.43 0.00 -1.98 0.12 119.26 123.53 1hss h ALA 36 Ca 0.39 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 1hss h ALA 36 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1hss h ALA 36 CO -0.15 0.29 -0.97 -0.39 0.00 0.00 0.00 179.25 178.03 1hss h VAL 37 N 1.00 1.54 0.10 0.00 -1.51 -1.88 -1.12 116.25 114.38 1hss h VAL 37 Ca 0.40 -2.86 -0.00 0.00 -1.23 0.00 0.00 66.70 63.01 1hss h VAL 37 Cb 0.23 2.63 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1hss h VAL 37 CO -0.19 0.83 -0.05 0.25 -1.23 0.00 0.00 177.57 177.18 1hss h LEU 38 N 0.08 -0.11 -0.57 4.19 5.85 -1.36 -2.64 115.31 120.75 1hss h LEU 38 Ca -0.05 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.70 1hss h LEU 38 Cb 1.64 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.63 1hss h LEU 38 CO 0.15 -0.02 0.20 -0.09 -0.34 0.00 0.00 178.44 178.34 1hss h ARG 39 N -0.20 0.37 -0.33 1.25 1.12 -0.57 -0.83 114.38 115.19 1hss h ARG 39 Ca -0.01 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.69 1hss h ARG 39 Cb 0.16 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 1hss h ARG 39 CO 0.02 0.24 -0.37 -0.44 -3.11 0.00 0.00 179.97 176.32 1hss h ASP 40 N 0.38 0.80 -0.00 -3.80 3.32 -1.19 -0.77 116.42 115.16 1hss h ASP 40 Ca 0.28 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1hss h ASP 40 Cb 0.34 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1hss h ASP 40 CO -0.29 1.09 0.00 0.00 -1.72 0.00 0.00 179.24 178.32 1hss h GLN 43 N 1.25 0.82 -0.25 0.00 5.75 -1.15 0.28 115.11 121.82 1hss h GLN 43 Ca 0.34 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.73 1hss h GLN 43 Cb -0.14 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.22 1hss h GLN 43 CO -0.07 0.54 -0.07 0.37 -2.65 0.00 0.00 178.83 176.95 1hss h GLN 44 N 0.85 0.49 -0.73 1.69 4.15 -0.99 -2.92 115.11 117.65 1hss h GLN 44 Ca 0.37 -0.19 0.05 0.00 0.77 0.00 0.00 58.65 59.64 1hss h GLN 44 Cb 0.24 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 1hss h GLN 44 CO -0.20 0.72 0.43 -0.07 -1.93 0.00 0.00 178.83 177.78 1hss h LEU 45 N 0.23 0.68 -1.48 -2.39 3.38 -0.85 -3.03 115.31 111.84 1hss h LEU 45 Ca 0.06 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.19 1hss h LEU 45 Cb 0.55 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1hss h LEU 45 CO 0.03 0.45 0.53 0.00 0.09 0.00 0.00 178.44 179.53 1hss h ALA 46 N 1.35 2.02 0.00 1.53 0.00 -0.25 -1.10 119.26 122.80 1hss h ALA 46 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1hss h ALA 46 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1hss h ALA 46 CO -0.16 -0.23 -0.12 0.45 0.00 0.00 0.00 179.25 179.20 1hss h HIS 47 N 0.51 0.00 -3.54 0.00 3.86 -1.43 -3.43 115.15 111.11 1hss h HIS 47 Ca 0.39 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 59.08 1hss h HIS 47 Cb 0.79 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.23 1hss h HIS 47 CO -0.00 0.12 0.14 0.42 0.86 0.00 0.00 177.93 179.47 1hss s ILE 48 N -3.47 4.48 0.69 2.45 1.01 -0.42 -5.03 121.20 120.91 1hss s ILE 48 Ca 0.03 1.48 -0.16 0.00 0.00 0.00 0.00 60.65 62.00 1hss s ILE 48 Cb 0.08 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1hss s ILE 48 CO 0.62 0.36 1.21 -0.55 0.00 0.00 0.00 174.94 176.58 1hss s SER 49 N -1.41 4.53 0.45 3.58 0.15 -1.26 -4.77 113.70 114.97 1hss s SER 49 Ca 0.39 2.36 0.24 0.00 0.70 0.00 0.00 55.95 59.64 1hss s SER 49 Cb -0.20 -2.59 1.25 0.00 -1.71 0.00 0.00 66.02 62.77 1hss s SER 49 CO 0.23 -2.04 1.80 -0.33 1.20 0.00 0.00 173.24 174.11 1hss h GLU 50 N 0.07 0.25 0.00 5.44 5.08 -1.93 0.10 114.58 123.59 1hss h GLU 50 Ca -0.48 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1hss h GLU 50 Cb 1.30 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1hss h GLU 50 CO 0.52 0.17 -0.14 -1.49 -1.00 0.00 0.00 179.01 177.06 1hss h TRP 51 N 0.26 0.00 -0.02 4.33 4.06 -1.90 -1.18 115.95 121.50 1hss h TRP 51 Ca 0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.50 1hss h TRP 51 Cb 1.66 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.82 1hss h TRP 51 CO -0.00 0.14 0.00 0.00 -3.56 0.00 0.00 178.44 175.02 1hss h ARG 53 N 0.98 0.29 0.03 0.00 3.08 -1.50 -1.11 114.38 116.16 1hss h ARG 53 Ca 0.00 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 59.75 1hss h ARG 53 Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1hss h ARG 53 CO 0.00 0.46 -0.98 0.00 -1.07 0.00 0.00 179.97 178.38 1hss h GLY 55 N 1.80 1.17 1.05 0.00 0.00 -1.73 -1.19 103.07 104.17 1hss h GLY 55 Ca -0.07 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1hss h GLY 55 CO 0.15 0.53 0.37 0.00 0.00 0.00 0.00 176.54 177.59 1hss h ALA 56 N 1.21 1.08 -0.31 3.60 0.00 -1.12 -1.69 119.26 122.02 1hss h ALA 56 Ca 0.27 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1hss h ALA 56 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1hss h ALA 56 CO -0.04 0.67 -0.43 -0.07 0.00 0.00 0.00 179.25 179.39 1hss h LEU 57 N 1.20 0.85 0.25 0.00 3.38 -1.42 -0.91 115.31 118.66 1hss h LEU 57 Ca 0.28 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1hss h LEU 57 Cb 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1hss h LEU 57 CO -0.03 1.16 -0.12 0.22 0.09 0.00 0.00 178.44 179.76 1hss h TYR 58 N 0.64 -0.31 -0.53 1.13 5.03 -1.17 -0.99 116.97 120.78 1hss h TYR 58 Ca 0.04 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.44 1hss h TYR 58 Cb 0.99 0.10 -0.07 0.00 1.55 0.00 0.00 36.73 39.30 1hss h TYR 58 CO 0.05 -0.16 0.10 1.03 -1.32 0.00 0.00 178.16 177.86 1hss h SER 59 N -0.37 -0.01 -0.19 -2.11 0.87 -1.28 -0.18 113.55 110.28 1hss h SER 59 Ca -0.03 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1hss h SER 59 Cb 0.28 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1hss h SER 59 CO 0.06 0.02 0.10 -0.03 -0.53 0.00 0.00 176.83 176.44 1hss h MET 60 N 0.23 0.21 -0.54 2.24 1.85 -1.09 -0.73 114.93 117.09 1hss h MET 60 Ca 0.27 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.33 1hss h MET 60 Cb 0.37 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.33 1hss h MET 60 CO -0.35 0.14 0.27 1.25 -0.40 0.00 0.00 176.91 177.81 1hss h LEU 61 N 0.21 0.71 -0.50 3.39 5.85 -0.84 -1.68 115.31 122.45 1hss h LEU 61 Ca 0.08 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1hss h LEU 61 Cb 0.01 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1hss h LEU 61 CO -0.05 0.63 0.31 -0.78 -0.34 0.00 0.00 178.44 178.21 1hss h ASP 62 N 0.73 0.60 -0.53 1.25 3.58 -0.96 -2.25 116.42 118.84 1hss h ASP 62 Ca 0.19 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.62 1hss h ASP 62 Cb 0.10 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1hss h ASP 62 CO -0.03 0.48 0.29 0.28 -2.88 0.00 0.00 179.24 177.38 1hss h SER 63 N 0.68 0.44 -0.74 2.28 0.02 -0.92 -0.01 113.55 115.30 1hss h SER 63 Ca 0.18 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1hss h SER 63 Cb -0.02 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1hss h SER 63 CO -0.03 0.31 0.29 0.24 -1.14 0.00 0.00 176.83 176.49 1hss h MET 64 N 0.57 1.11 -0.01 3.45 2.86 -1.21 -1.11 114.93 120.60 1hss h MET 64 Ca 0.23 -0.21 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 1hss h MET 64 Cb 0.09 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1hss h MET 64 CO -0.13 0.92 -0.70 1.88 1.06 0.00 0.00 176.91 179.94 1hss h TYR 65 N 1.07 0.05 0.00 -0.22 0.05 -1.22 -0.45 116.97 116.25 1hss h TYR 65 Ca 0.24 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1hss h TYR 65 Cb 0.23 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1hss h TYR 65 CO 0.02 0.72 -0.30 0.87 -1.05 0.00 0.00 178.16 178.42 1hss h LYS 66 N 0.02 0.00 0.06 4.88 6.56 -0.88 -3.31 116.57 123.91 1hss h LYS 66 Ca -0.01 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.35 1hss h LYS 66 Cb 1.23 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 1hss h LYS 66 CO 0.09 0.00 -1.22 1.49 -2.06 0.00 0.00 179.45 177.76 1hss h GLU 67 N 0.00 0.13 -0.56 3.15 4.57 -1.17 -3.50 114.58 117.20 1hss h GLU 67 Ca 0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1hss h GLU 67 Cb 0.95 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1hss h GLU 67 CO 0.00 1.11 0.00 -2.39 -1.18 0.00 0.00 179.01 176.55 1hss n HIS 68 N -4.16 0.00 -0.85 0.92 1.44 -0.18 -5.03 115.22 107.35 1hss n HIS 68 Ca -0.26 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.16 1hss n HIS 68 Cb 0.78 0.00 0.19 0.00 0.12 0.00 0.00 29.99 31.08 1hss n HIS 68 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1hss s GLY 78 N -1.75 1.60 0.46 -1.39 0.00 -1.26 -4.97 107.32 100.02 1hss s GLY 78 Ca 0.00 0.01 0.24 0.00 0.00 0.00 0.00 44.72 44.98 1hss s GLY 78 CO 0.00 0.59 1.92 0.00 0.00 0.00 0.00 173.10 175.61 1hss h ALA 79 N -2.06 1.14 -2.89 3.20 0.00 -1.93 -3.38 119.26 113.35 1hss h ALA 79 Ca -0.53 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 53.58 1hss h ALA 79 Cb 1.30 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.66 1hss h ALA 79 CO 0.51 0.26 -0.76 -0.06 0.00 0.00 0.00 179.25 179.20 1hss s PHE 80 N -3.90 1.92 0.11 0.00 0.08 -1.26 -5.02 117.98 109.91 1hss s PHE 80 Ca -0.01 -2.43 -0.31 0.00 0.12 0.00 0.00 56.93 54.30 1hss s PHE 80 Cb 0.12 -1.77 -0.10 0.00 -0.57 0.00 0.00 43.02 40.70 1hss s PHE 80 CO 0.62 -0.77 1.73 -2.14 -0.10 0.00 0.00 175.22 174.56 1hss s PRO 81 N 0.21 4.17 -0.58 0.24 0.02 -1.26 -2.49 135.00 135.31 1hss s PRO 81 Ca 0.20 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1hss s PRO 81 Cb -0.19 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.81 1hss s PRO 81 CO -0.04 -0.77 0.00 0.54 -0.33 0.00 0.00 177.00 176.40 1hss n ARG 82 N 5.37 -0.77 -4.90 5.54 1.74 -1.26 -4.89 116.66 117.49 1hss n ARG 82 Ca 0.16 0.57 -0.32 0.00 -0.77 0.00 0.00 57.85 57.50 1hss n ARG 82 Cb 0.39 -4.38 -0.13 0.00 -1.02 0.00 0.00 32.46 27.31 1hss n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hss s ARG 84 N -0.86 4.54 0.25 0.00 0.52 -1.26 -4.95 118.95 117.19 1hss s ARG 84 Ca 0.12 1.12 -0.12 0.00 -0.52 0.00 0.00 55.73 56.33 1hss s ARG 84 Cb -0.11 -3.28 0.36 0.00 0.52 0.00 0.00 34.95 32.44 1hss s ARG 84 CO 0.01 0.51 1.57 -0.09 0.02 0.00 0.00 175.30 177.32 1hss h ARG 85 N 4.62 -0.01 -0.16 3.54 1.12 -1.99 -0.72 114.38 120.78 1hss h ARG 85 Ca -0.47 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.40 1hss h ARG 85 Cb 1.21 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.16 1hss h ARG 85 CO 0.67 -0.01 0.09 0.93 -3.11 0.00 0.00 179.97 178.55 1hss h GLU 86 N -0.01 0.22 -0.01 0.20 3.07 -2.00 -2.57 114.58 113.48 1hss h GLU 86 Ca 0.41 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 59.12 1hss h GLU 86 Cb 0.66 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1hss h GLU 86 CO -0.96 0.20 -0.63 -0.39 -1.40 0.00 0.00 179.01 175.83 1hss h VAL 87 N 0.18 1.45 -0.08 3.13 -1.51 -1.78 -2.43 116.25 115.21 1hss h VAL 87 Ca 0.06 -2.16 0.02 0.00 -1.23 0.00 0.00 66.70 63.39 1hss h VAL 87 Cb 0.04 2.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.34 1hss h VAL 87 CO -0.01 0.62 -0.05 0.58 -1.23 0.00 0.00 177.57 177.48 1hss h VAL 88 N 0.02 0.84 0.00 7.19 2.07 -0.88 0.25 116.25 125.74 1hss h VAL 88 Ca -0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1hss h VAL 88 Cb 1.12 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1hss h VAL 88 CO 0.08 0.00 -0.35 0.07 0.02 0.00 0.00 177.57 177.39 1hss h LYS 89 N -0.05 0.00 -0.42 1.57 2.10 -1.44 -1.36 116.57 116.97 1hss h LYS 89 Ca 0.05 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.56 1hss h LYS 89 Cb 0.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1hss h LYS 89 CO -0.12 0.35 -0.31 1.25 -2.00 0.00 0.00 179.45 178.62 1hss h LEU 90 N 0.00 0.98 -0.26 7.07 5.85 -1.08 -2.10 115.31 125.77 1hss h LEU 90 Ca -0.00 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 1hss h LEU 90 Cb 1.15 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1hss h LEU 90 CO 0.05 1.20 -0.12 0.74 -0.34 0.00 0.00 178.44 179.97 1hss h THR 91 N 0.78 1.30 -0.76 1.05 2.02 -0.30 -3.15 112.91 113.85 1hss h THR 91 Ca 0.08 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 1hss h THR 91 Cb 0.90 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 1hss h THR 91 CO 0.08 0.38 0.46 0.00 0.37 0.00 0.00 175.52 176.80 1hss h ALA 92 N 0.74 1.37 0.00 6.16 0.00 -1.26 -1.83 119.26 124.43 1hss h ALA 92 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hss h ALA 92 Cb 0.62 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1hss h ALA 92 CO 0.04 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1hss h ALA 93 N 1.46 1.00 0.00 0.00 0.00 -1.35 -3.01 119.26 117.35 1hss h ALA 93 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1hss h ALA 93 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1hss h ALA 93 CO -0.05 0.00 -0.02 -1.13 0.00 0.00 0.00 179.25 178.05 1hss n SER 94 N -2.30 1.74 0.16 0.00 3.41 -0.72 -0.40 113.62 115.52 1hss n SER 94 Ca 0.01 -2.07 0.06 0.00 -0.26 0.00 0.00 58.87 56.61 1hss n SER 94 Cb 0.19 -0.09 0.55 0.00 -0.26 0.00 0.00 64.21 64.60 1hss n SER 94 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1hss h ILE 95 N 0.63 1.05 0.00 -1.33 2.04 -1.34 0.71 117.51 119.27 1hss h ILE 95 Ca 0.00 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 1hss h ILE 95 Cb 0.69 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1hss h ILE 95 CO 0.00 0.06 -0.74 0.00 0.00 0.00 0.00 178.15 177.46 1hss h THR 96 N 0.20 1.49 -0.24 -0.27 1.03 -1.81 -0.56 112.91 112.74 1hss h THR 96 Ca 0.05 -2.59 -0.11 0.00 -0.01 0.00 0.00 66.41 63.75 1hss h THR 96 Cb 0.02 2.42 -0.00 0.00 -1.07 0.00 0.00 68.15 69.51 1hss h THR 96 CO -0.01 0.73 -0.28 0.00 -0.01 0.00 0.00 175.52 175.95 1hss h ALA 97 N 1.26 0.36 0.00 0.00 0.00 0.62 -0.61 119.26 120.88 1hss h ALA 97 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1hss h ALA 97 Cb 1.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1hss h ALA 97 CO 0.10 0.36 -0.32 -0.39 0.00 0.00 0.00 179.25 179.00 1hss h VAL 98 N 0.32 0.99 0.00 0.00 -1.51 -0.67 -1.76 116.25 113.61 1hss h VAL 98 Ca 0.03 -1.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1hss h VAL 98 Cb 0.85 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 1hss h VAL 98 CO 0.07 0.31 0.00 0.00 -1.23 0.00 0.00 177.57 176.72 1hss n ARG 100 N -1.40 -5.09 -3.77 0.00 5.12 -0.66 -4.98 116.66 105.87 1hss n ARG 100 Ca 0.09 0.57 -0.37 0.00 -1.93 0.00 0.00 57.85 56.22 1hss n ARG 100 Cb 0.26 -5.33 -0.13 0.00 -1.16 0.00 0.00 32.46 26.10 1hss n ARG 100 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1hss s LEU 101 N -7.13 3.90 0.62 0.55 1.02 -0.32 -5.03 118.68 112.29 1hss s LEU 101 Ca 0.48 -0.82 -0.16 0.00 0.02 0.00 0.00 54.13 53.65 1hss s LEU 101 Cb -0.24 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.09 1hss s LEU 101 CO 0.84 -0.22 1.12 -2.16 0.02 0.00 0.00 176.35 175.95 1hss s PRO 102 N 1.46 2.97 0.21 1.29 0.04 -1.26 -4.45 135.00 135.26 1hss s PRO 102 Ca 0.01 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.59 1hss s PRO 102 Cb -0.18 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1hss s PRO 102 CO 0.02 -1.12 -0.15 0.96 0.04 0.00 0.00 177.00 176.75 1hss s ILE 103 N -2.17 1.78 -0.20 0.56 -5.25 -0.22 -4.66 121.20 111.03 1hss s ILE 103 Ca 0.69 -2.21 -0.07 0.00 -0.99 0.00 0.00 60.65 58.06 1hss s ILE 103 Cb -0.21 -2.05 -0.04 0.00 2.95 0.00 0.00 42.46 43.11 1hss s ILE 103 CO 0.37 -0.58 0.07 0.68 -1.79 0.00 0.00 174.94 173.69 1hss s VAL 104 N -2.92 4.67 0.14 8.37 -7.23 -0.44 -1.79 120.40 121.20 1hss s VAL 104 Ca 0.23 -0.07 -0.13 0.00 -1.81 0.00 0.00 61.98 60.20 1hss s VAL 104 Cb -0.01 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.81 1hss s VAL 104 CO 0.07 0.43 1.59 0.58 -0.31 0.00 0.00 175.10 177.46 1hss h VAL 105 N 5.05 1.26 -0.37 1.32 2.07 -0.08 -3.45 116.25 122.05 1hss h VAL 105 Ca -0.37 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1hss h VAL 105 Cb 1.17 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1hss h VAL 105 CO 0.66 0.36 0.00 -0.90 0.02 0.00 0.00 177.57 177.72 1hss n ASP 106 N -4.37 0.00 0.27 0.57 5.68 -1.26 -5.04 116.55 112.40 1hss n ASP 106 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.42 1hss n ASP 106 Cb 0.30 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.05 1hss n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hss h ALA 107 N 2.00 1.50 -0.41 2.12 0.00 -1.95 -0.45 119.26 122.08 1hss h ALA 107 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1hss h ALA 107 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1hss h ALA 107 CO 0.00 0.09 0.29 0.66 0.00 0.00 0.00 179.25 180.29 1hss h SER 108 N 0.00 0.03 0.00 0.00 4.64 -2.00 -3.46 113.55 112.77 1hss h SER 108 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hss h SER 108 Cb 0.16 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1hss h SER 108 CO 0.01 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1hss n GLY 109 N -1.61 0.75 3.70 -0.77 0.00 -0.18 -5.04 105.19 102.05 1hss n GLY 109 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1hss n GLY 109 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hss n ASP 110 N 0.00 3.63 -4.95 1.61 8.00 -1.26 -4.84 116.55 118.75 1hss n ASP 110 Ca 0.00 1.06 -0.23 0.00 0.71 0.00 0.00 54.79 56.34 1hss n ASP 110 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.59 1hss n ASP 110 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1hss s GLY 111 N 1.18 1.47 0.16 0.44 0.00 -1.26 0.66 107.32 109.97 1hss s GLY 111 Ca 0.77 -1.03 -0.09 0.00 0.00 0.00 0.00 44.72 44.37 1hss s GLY 111 CO 0.35 -0.92 0.46 0.00 0.00 0.00 0.00 173.10 172.99 1hss n ALA 112 N -1.92 -1.12 -0.43 3.20 0.00 -0.74 -4.76 120.51 114.74 1hss n ALA 112 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 53.44 52.85 1hss n ALA 112 Cb 0.57 0.42 0.02 0.00 0.00 0.00 0.00 19.45 20.46 1hss n ALA 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hss n TYR 113 N -0.32 0.00 -3.82 0.00 4.01 -1.26 -1.06 117.16 114.71 1hss n TYR 113 Ca -0.03 -0.48 -0.13 0.00 -0.16 0.00 0.00 57.90 57.10 1hss n TYR 113 Cb 0.30 -0.06 -0.13 0.00 -0.31 0.00 0.00 39.34 39.14 1hss n TYR 113 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1hss s VAL 114 N -1.11 -0.01 -0.51 -0.72 0.11 -1.26 -1.16 120.40 115.74 1hss s VAL 114 Ca 0.05 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 1hss s VAL 114 Cb 0.05 -0.19 0.13 0.00 -1.53 0.00 0.00 36.38 34.84 1hss s VAL 114 CO 0.01 0.01 0.41 0.00 -3.33 0.00 0.00 175.10 172.20 1hss h LYS 116 N 8.51 0.38 -0.86 0.00 2.10 -1.98 -1.87 116.57 122.83 1hss h LYS 116 Ca -0.22 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1hss h LYS 116 Cb 1.08 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.37 1hss h LYS 116 CO 0.90 0.75 0.55 0.38 -2.00 0.00 0.00 179.45 180.03 1hss h ASP 117 N 0.31 1.01 -0.05 7.07 2.03 -1.93 -1.95 116.42 122.91 1hss h ASP 117 Ca 0.02 -0.04 -0.17 0.00 -0.73 0.00 0.00 57.03 56.11 1hss h ASP 117 Cb 0.90 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1hss h ASP 117 CO 0.07 0.76 -0.57 0.58 -1.03 0.00 0.00 179.24 179.05 1hss h VAL 118 N 1.18 1.31 0.00 4.15 2.07 -1.71 -2.77 116.25 120.49 1hss h VAL 118 Ca 0.31 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1hss h VAL 118 Cb -0.09 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1hss h VAL 118 CO -0.06 0.57 -0.06 0.00 0.02 0.00 0.00 177.57 178.03 1hss h ALA 119 N 0.88 1.15 -0.38 1.67 0.00 -0.72 -2.58 119.26 119.29 1hss h ALA 119 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hss h ALA 119 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hss h ALA 119 CO 0.11 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1hss n ALA 120 N -2.19 2.41 -1.50 0.00 0.00 -0.80 -4.71 120.51 113.72 1hss n ALA 120 Ca -0.02 -0.99 -0.52 0.00 0.00 0.00 0.00 53.44 51.92 1hss n ALA 120 Cb 0.21 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 1hss n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1hss n TYR 121 N 1.46 0.58 -0.73 0.00 9.36 -0.97 -2.27 117.16 124.59 1hss n TYR 121 Ca 0.19 0.88 0.09 0.00 3.32 0.00 0.00 57.90 62.38 1hss n TYR 121 Cb 0.60 -2.13 0.37 0.00 -0.63 0.00 0.00 39.34 37.55 1hss n TYR 121 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1hss n PRO 122 N 1.44 4.14 0.00 2.98 -0.04 -1.26 -4.96 135.00 137.29 1hss n PRO 122 Ca 0.17 -2.99 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1hss n PRO 122 Cb 0.20 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1hss n PRO 122 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1hss n ASP 123 N 0.91 0.00 0.00 3.54 8.00 -0.96 -5.21 116.55 122.83 1hss n ASP 123 Ca 0.26 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.89 1hss n ASP 123 Cb 1.00 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.82 1hss n ASP 123 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81