#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwm s LYS 2 N 0.00 4.25 -0.14 0.00 2.20 -1.26 -0.03 119.74 124.75 1uwm s LYS 2 Ca 0.00 0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1uwm s LYS 2 Cb 0.00 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1uwm s LYS 2 CO 0.00 -0.14 -0.06 0.42 -0.36 0.00 0.00 175.35 175.21 1uwm s ILE 3 N 1.57 3.69 -0.19 5.43 -1.09 0.23 -0.36 121.20 130.49 1uwm s ILE 3 Ca 0.28 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1uwm s ILE 3 Cb -0.16 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 1uwm s ILE 3 CO 0.11 0.51 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.70 1uwm s ILE 4 N 0.21 4.00 -0.15 2.92 1.01 -0.12 -0.52 121.20 128.55 1uwm s ILE 4 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1uwm s ILE 4 Cb -0.14 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1uwm s ILE 4 CO 0.03 0.45 -0.17 -0.36 0.00 0.00 0.00 174.94 174.89 1uwm s PHE 5 N 0.80 2.75 -0.22 3.97 0.40 0.30 -0.37 117.98 125.61 1uwm s PHE 5 Ca 0.00 -1.11 0.01 0.00 -0.60 0.00 0.00 56.93 55.23 1uwm s PHE 5 Cb -0.14 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.56 1uwm s PHE 5 CO 0.02 -0.50 -0.13 0.42 0.70 0.00 0.00 175.22 175.73 1uwm s ILE 6 N 0.79 2.37 0.95 0.64 1.01 0.47 -0.34 121.20 127.09 1uwm s ILE 6 Ca -0.06 -1.11 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 1uwm s ILE 6 Cb -0.15 -2.15 0.16 0.00 0.01 0.00 0.00 42.46 40.33 1uwm s ILE 6 CO -0.00 0.31 1.09 -1.61 0.00 0.00 0.00 174.94 174.72 1uwm s GLU 7 N 1.26 0.78 0.50 2.79 2.02 -0.48 -0.59 118.70 124.97 1uwm s GLU 7 Ca 0.00 0.80 0.15 0.00 0.02 0.00 0.00 54.97 55.95 1uwm s GLU 7 Cb -0.16 -1.75 1.19 0.00 0.10 0.00 0.00 34.13 33.51 1uwm s GLU 7 CO -0.08 -2.57 2.12 1.12 0.02 0.00 0.00 175.26 175.87 1uwm h HIS 8 N -1.78 0.11 0.00 1.61 2.07 -1.79 0.19 115.15 115.56 1uwm h HIS 8 Ca -0.52 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 1uwm h HIS 8 Cb 1.30 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.24 1uwm h HIS 8 CO 0.38 0.07 0.00 0.27 -3.07 0.00 0.00 177.93 175.58 1uwm n ASN 9 N -4.52 0.00 0.00 3.10 0.23 -1.26 -4.92 115.26 107.89 1uwm n ASN 9 Ca -0.01 0.41 0.00 0.00 -0.53 0.00 0.00 54.58 54.45 1uwm n ASN 9 Cb 0.12 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 1uwm n ASN 9 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uwm n GLY 10 N 1.42 0.80 3.71 4.83 0.00 0.68 -5.06 105.19 111.55 1uwm n GLY 10 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1uwm n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uwm s THR 11 N -2.00 3.80 -0.18 2.61 2.01 -1.25 -4.78 115.64 115.84 1uwm s THR 11 Ca 0.00 1.25 -0.15 0.00 0.31 0.00 0.00 61.69 63.10 1uwm s THR 11 Cb 0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1uwm s THR 11 CO 0.00 0.06 0.36 -0.60 -0.69 0.00 0.00 174.62 173.76 1uwm s ARG 12 N 1.51 4.21 -0.04 4.92 3.52 -1.26 -1.39 118.95 130.42 1uwm s ARG 12 Ca 0.61 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 56.44 1uwm s ARG 12 Cb -0.31 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1uwm s ARG 12 CO 0.28 0.07 -0.23 -1.01 -0.81 0.00 0.00 175.30 173.60 1uwm s HIS 13 N 0.99 2.15 -0.02 5.12 3.76 0.54 -5.00 115.29 122.82 1uwm s HIS 13 Ca 0.18 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1uwm s HIS 13 Cb -0.14 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 1uwm s HIS 13 CO 0.07 -0.14 -0.18 -1.21 -0.85 0.00 0.00 174.74 172.42 1uwm s GLU 14 N -0.26 1.62 0.02 1.40 2.02 -1.26 -0.54 118.70 121.71 1uwm s GLU 14 Ca 0.01 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.37 1uwm s GLU 14 Cb -0.12 -1.51 -0.02 0.00 0.10 0.00 0.00 34.13 32.59 1uwm s GLU 14 CO 0.02 0.35 -0.07 0.08 0.02 0.00 0.00 175.26 175.65 1uwm s VAL 15 N -0.28 0.53 -0.46 2.63 1.01 0.32 -4.98 120.40 119.18 1uwm s VAL 15 Ca 0.03 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1uwm s VAL 15 Cb -0.09 -0.53 0.08 0.00 0.00 0.00 0.00 36.38 35.84 1uwm s VAL 15 CO 0.00 -0.15 0.35 -0.70 0.00 0.00 0.00 175.10 174.60 1uwm s GLU 16 N -0.95 2.79 -0.12 2.72 2.56 -1.26 0.78 118.70 125.22 1uwm s GLU 16 Ca -0.04 -1.46 -0.05 0.00 0.00 0.00 0.00 54.97 53.42 1uwm s GLU 16 Cb -0.07 -3.99 -0.04 0.00 2.00 0.00 0.00 34.13 32.03 1uwm s GLU 16 CO 0.00 -1.04 0.06 0.00 -0.56 0.00 0.00 175.26 173.73 1uwm s ALA 17 N 1.53 3.52 0.10 6.30 0.00 0.95 -4.88 121.76 129.28 1uwm s ALA 17 Ca 0.04 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1uwm s ALA 17 Cb -0.24 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.05 1uwm s ALA 17 CO 0.04 0.49 0.98 0.21 0.00 0.00 0.00 175.76 177.48 1uwm s LYS 18 N -0.59 4.66 0.43 0.00 2.20 -1.26 -1.73 119.74 123.45 1uwm s LYS 18 Ca 0.11 1.48 -0.23 0.00 -0.36 0.00 0.00 55.97 56.97 1uwm s LYS 18 Cb -0.12 -3.38 -0.11 0.00 -1.51 0.00 0.00 37.83 32.71 1uwm s LYS 18 CO 0.02 0.15 0.77 -2.30 -0.36 0.00 0.00 175.35 173.63 1uwm n PRO 19 N 2.93 0.91 0.00 4.03 -0.02 -1.26 -2.36 135.00 139.22 1uwm n PRO 19 Ca 0.03 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1uwm n PRO 19 Cb 0.49 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1uwm n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwm n GLY 20 N 1.50 2.24 3.82 -1.23 0.00 -0.36 -5.00 105.19 106.17 1uwm n GLY 20 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1uwm n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwm s LEU 21 N 0.00 2.72 0.35 0.99 1.43 -1.00 -4.75 118.68 118.42 1uwm s LEU 21 Ca 0.00 1.30 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 1uwm s LEU 21 Cb 0.00 -3.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 1uwm s LEU 21 CO 0.00 -1.78 0.51 0.42 0.23 0.00 0.00 176.35 175.74 1uwm s THR 22 N -3.19 4.47 0.35 5.49 -4.23 -1.26 -0.20 115.64 117.08 1uwm s THR 22 Ca 0.60 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1uwm s THR 22 Cb -0.14 -3.60 0.17 0.00 1.34 0.00 0.00 72.50 70.28 1uwm s THR 22 CO 0.54 -0.31 1.90 0.58 -0.54 0.00 0.00 174.62 176.79 1uwm h VAL 23 N 0.80 1.18 -0.49 2.29 2.07 -1.02 -0.85 116.25 120.24 1uwm h VAL 23 Ca -0.48 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1uwm h VAL 23 Cb 1.24 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1uwm h VAL 23 CO 0.57 0.25 0.16 -0.03 0.02 0.00 0.00 177.57 178.54 1uwm h MET 24 N 0.47 0.75 -0.72 1.57 1.85 -1.80 -1.87 114.93 115.16 1uwm h MET 24 Ca 0.10 -0.15 -0.03 0.00 -0.61 0.00 0.00 59.70 59.01 1uwm h MET 24 Cb 0.29 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 1uwm h MET 24 CO 0.01 0.69 0.33 0.93 -0.40 0.00 0.00 176.91 178.47 1uwm h GLU 25 N 0.65 1.03 -0.92 0.39 5.08 -1.72 0.60 114.58 119.70 1uwm h GLU 25 Ca 0.16 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1uwm h GLU 25 Cb 0.25 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1uwm h GLU 25 CO -0.01 0.80 0.59 0.00 -1.00 0.00 0.00 179.01 179.40 1uwm h ALA 26 N 1.34 1.21 0.12 3.43 0.00 -0.65 0.42 119.26 125.13 1uwm h ALA 26 Ca 0.25 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1uwm h ALA 26 Cb 0.12 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.61 1uwm h ALA 26 CO -0.03 0.45 -0.70 0.00 0.00 0.00 0.00 179.25 178.97 1uwm h ALA 27 N 1.38 -0.08 0.43 0.00 0.00 -0.56 -3.21 119.26 117.22 1uwm h ALA 27 Ca 0.37 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1uwm h ALA 27 Cb 0.01 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1uwm h ALA 27 CO -0.12 0.32 -0.21 -0.09 0.00 0.00 0.00 179.25 179.16 1uwm h ARG 28 N -0.46 -0.55 0.00 0.00 2.43 0.44 -0.44 114.38 115.80 1uwm h ARG 28 Ca -0.12 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1uwm h ARG 28 Cb 1.55 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1uwm h ARG 28 CO 0.13 -0.32 0.00 -0.25 -1.51 0.00 0.00 179.97 178.02 1uwm n ASP 29 N -5.30 0.50 -0.59 -3.80 8.00 0.14 -2.28 116.55 113.23 1uwm n ASP 29 Ca -0.11 0.69 0.07 0.00 0.71 0.00 0.00 54.79 56.15 1uwm n ASP 29 Cb 0.27 -0.77 0.18 0.00 -0.02 0.00 0.00 41.12 40.77 1uwm n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uwm n ASN 30 N -2.13 3.16 -2.09 -2.24 3.02 -0.95 -4.99 115.26 109.04 1uwm n ASN 30 Ca 0.00 -2.65 -0.18 0.00 -0.03 0.00 0.00 54.58 51.73 1uwm n ASN 30 Cb 0.10 -0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1uwm n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uwm n GLY 31 N -0.39 -0.34 3.69 7.41 0.00 -0.94 -4.98 105.19 109.64 1uwm n GLY 31 Ca 0.15 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1uwm n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwm s VAL 32 N -2.91 4.63 0.55 1.61 1.01 -0.22 -5.02 120.40 120.05 1uwm s VAL 32 Ca 0.05 1.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.76 1uwm s VAL 32 Cb -0.02 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 1uwm s VAL 32 CO 0.06 0.01 1.05 -2.84 0.00 0.00 0.00 175.10 173.37 1uwm s PRO 33 N 2.05 3.55 0.00 2.72 0.02 -1.26 -4.23 135.00 137.85 1uwm s PRO 33 Ca 0.51 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1uwm s PRO 33 Cb -0.20 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1uwm s PRO 33 CO 0.19 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 1uwm n GLY 34 N -0.74 1.92 3.28 0.52 0.00 -1.26 -4.95 105.19 103.96 1uwm n GLY 34 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1uwm n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uwm s ILE 35 N -2.34 3.17 -0.12 -0.61 -1.09 -1.26 -4.77 121.20 114.18 1uwm s ILE 35 Ca 0.00 -0.59 -0.13 0.00 -2.23 0.00 0.00 60.65 57.70 1uwm s ILE 35 Cb 0.00 -2.45 -0.26 0.00 -1.58 0.00 0.00 42.46 38.17 1uwm s ILE 35 CO 0.00 0.42 0.46 0.44 -1.23 0.00 0.00 174.94 175.03 1uwm h ASP 36 N 8.09 0.38 -5.98 3.58 3.32 -1.54 -3.48 116.42 120.78 1uwm h ASP 36 Ca -0.41 -0.86 -0.44 0.00 0.02 0.00 0.00 57.03 55.34 1uwm h ASP 36 Cb 1.15 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.60 1uwm h ASP 36 CO 0.61 1.72 -0.71 0.00 -1.72 0.00 0.00 179.24 179.13 1uwm n ALA 37 N -3.02 -1.25 -0.19 3.45 0.00 -0.89 -4.92 120.51 113.69 1uwm n ALA 37 Ca -0.28 0.26 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1uwm n ALA 37 Cb 0.95 -4.69 0.09 0.00 0.00 0.00 0.00 19.45 15.80 1uwm n ALA 37 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1uwm h ASP 38 N -2.17 0.17 0.21 0.00 3.32 -1.94 -1.68 116.42 114.34 1uwm h ASP 38 Ca -0.56 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1uwm h ASP 38 Cb 1.37 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1uwm h ASP 38 CO 0.62 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 178.25 1uwm n GLY 40 N 0.73 0.15 1.42 0.00 0.00 -0.63 -3.58 105.19 103.28 1uwm n GLY 40 Ca 0.16 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1uwm n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uwm n GLY 41 N -1.13 0.82 1.00 -0.02 0.00 -1.26 -4.96 105.19 99.64 1uwm n GLY 41 Ca -0.10 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.40 1uwm n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwm n ALA 42 N -1.14 2.42 -1.08 4.61 0.00 -1.23 -4.92 120.51 119.16 1uwm n ALA 42 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 53.44 52.53 1uwm n ALA 42 Cb 0.37 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 1uwm n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwm n ALA 44 N 1.05 0.00 -0.56 0.00 0.00 -1.26 -4.64 120.51 115.10 1uwm n ALA 44 Ca -0.03 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.84 1uwm n ALA 44 Cb 0.24 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.35 1uwm n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwm n SER 46 N -3.52 -3.98 -1.64 0.00 3.41 -1.26 -4.82 113.62 101.81 1uwm n SER 46 Ca 0.35 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1uwm n SER 46 Cb 1.62 -3.51 0.27 0.00 -0.26 0.00 0.00 64.21 62.33 1uwm n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1uwm n THR 47 N -2.73 2.22 -0.52 6.66 -2.24 -1.26 -3.61 114.28 112.80 1uwm n THR 47 Ca -0.15 -1.14 0.05 0.00 -2.27 0.00 0.00 64.05 60.53 1uwm n THR 47 Cb 0.54 -0.39 0.07 0.00 -2.10 0.00 0.00 70.33 68.45 1uwm n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uwm n HIS 49 N -0.95 2.35 -3.49 0.00 -0.00 -1.24 -1.82 115.22 110.07 1uwm n HIS 49 Ca 0.08 0.50 -0.11 0.00 -0.00 0.00 0.00 57.72 58.19 1uwm n HIS 49 Cb 0.44 -2.42 -0.02 0.00 -0.00 0.00 0.00 29.99 27.99 1uwm n HIS 49 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1uwm s ALA 50 N -1.16 -1.57 -0.37 1.57 0.00 -0.60 -4.46 121.76 115.18 1uwm s ALA 50 Ca 0.58 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1uwm s ALA 50 Cb -0.52 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.46 1uwm s ALA 50 CO 0.60 -0.80 0.21 0.71 0.00 0.00 0.00 175.76 176.48 1uwm s TYR 51 N -3.71 3.23 0.43 0.00 2.02 0.15 -1.51 117.35 117.97 1uwm s TYR 51 Ca 0.03 -0.82 -0.25 0.00 -0.37 0.00 0.00 57.07 55.66 1uwm s TYR 51 Cb -0.02 -2.44 -0.08 0.00 -0.40 0.00 0.00 41.96 39.02 1uwm s TYR 51 CO -0.10 -0.60 1.29 0.08 -1.57 0.00 0.00 175.55 174.65 1uwm s VAL 52 N 1.59 2.63 0.18 0.71 1.01 -0.91 -0.03 120.40 125.58 1uwm s VAL 52 Ca 0.03 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 1uwm s VAL 52 Cb -0.19 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1uwm s VAL 52 CO 0.07 0.06 1.29 -0.62 0.00 0.00 0.00 175.10 175.90 1uwm s ASP 53 N -0.87 6.93 0.39 3.32 -1.08 -0.08 -4.77 116.67 120.51 1uwm s ASP 53 Ca 0.60 2.35 0.23 0.00 -0.52 0.00 0.00 52.55 55.21 1uwm s ASP 53 Cb -0.37 -2.61 1.37 0.00 -1.46 0.00 0.00 42.92 39.86 1uwm s ASP 53 CO 0.46 -0.51 1.58 -0.65 0.52 0.00 0.00 175.17 176.58 1uwm h PRO 54 N 5.52 0.02 0.00 4.34 0.11 -1.92 0.73 132.00 140.79 1uwm h PRO 54 Ca -0.44 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1uwm h PRO 54 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1uwm h PRO 54 CO 0.78 0.01 -0.02 0.00 -0.21 0.00 0.00 178.00 178.56 1uwm h ALA 55 N 1.90 1.07 0.00 -0.75 0.00 -1.96 -3.19 119.26 116.33 1uwm h ALA 55 Ca 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.74 1uwm h ALA 55 Cb 2.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.14 1uwm h ALA 55 CO -0.69 0.03 -0.93 0.91 0.00 0.00 0.00 179.25 178.57 1uwm n TRP 56 N -3.21 0.00 -0.31 0.00 7.02 0.25 -4.74 117.44 116.46 1uwm n TRP 56 Ca -0.02 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.60 1uwm n TRP 56 Cb 0.17 -0.11 0.31 0.00 -2.42 0.00 0.00 31.31 29.27 1uwm n TRP 56 CO 0.00 0.00 0.00 -0.39 -2.02 0.00 0.00 177.69 175.28 1uwm h VAL 57 N 0.00 0.44 0.00 -0.99 -1.51 -1.42 0.17 116.25 112.95 1uwm h VAL 57 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1uwm h VAL 57 Cb 0.31 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.51 1uwm h VAL 57 CO 0.00 0.07 0.00 0.47 -1.23 0.00 0.00 177.57 176.88 1uwm n ASP 58 N -5.07 0.34 -0.20 4.19 8.00 -1.26 -3.18 116.55 119.36 1uwm n ASP 58 Ca 0.22 0.55 0.13 0.00 0.71 0.00 0.00 54.79 56.40 1uwm n ASP 58 Cb 0.68 -0.63 0.38 0.00 -0.02 0.00 0.00 41.12 41.52 1uwm n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1uwm n LYS 59 N -1.84 0.71 -3.77 -1.24 5.02 0.59 -4.91 118.16 112.73 1uwm n LYS 59 Ca 0.05 -0.41 -0.24 0.00 -2.02 0.00 0.00 58.31 55.70 1uwm n LYS 59 Cb 0.30 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1uwm n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uwm s LEU 60 N -2.57 4.23 0.55 -0.35 1.43 -1.19 -5.04 118.68 115.74 1uwm s LEU 60 Ca 0.23 0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.37 1uwm s LEU 60 Cb 0.19 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1uwm s LEU 60 CO 0.54 -0.10 1.17 -2.84 0.23 0.00 0.00 176.35 175.35 1uwm s PRO 61 N -3.84 3.25 0.60 1.29 0.02 -1.26 -4.96 135.00 130.10 1uwm s PRO 61 Ca 0.36 1.74 -0.16 0.00 0.02 0.00 0.00 61.00 62.96 1uwm s PRO 61 Cb -0.10 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1uwm s PRO 61 CO 0.31 -0.96 1.09 -1.59 -0.33 0.00 0.00 177.00 175.51 1uwm s LYS 62 N -3.22 3.14 0.34 5.54 -2.85 -1.26 -4.98 119.74 116.44 1uwm s LYS 62 Ca 0.74 1.37 -0.28 0.00 -1.00 0.00 0.00 55.97 56.80 1uwm s LYS 62 Cb -0.28 -2.00 -0.10 0.00 -2.06 0.00 0.00 37.83 33.40 1uwm s LYS 62 CO 0.31 -0.98 1.22 0.00 0.10 0.00 0.00 175.35 176.00 1uwm s ALA 63 N -2.24 3.39 0.41 0.59 0.00 -1.26 -5.03 121.76 117.62 1uwm s ALA 63 Ca 0.67 1.10 -0.10 0.00 0.00 0.00 0.00 51.96 53.63 1uwm s ALA 63 Cb -0.19 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 1uwm s ALA 63 CO 0.36 -0.50 0.78 -0.51 0.00 0.00 0.00 175.76 175.88 1uwm s LEU 64 N -1.88 3.81 0.37 0.00 1.43 -1.26 -4.88 118.68 116.27 1uwm s LEU 64 Ca 0.50 1.14 0.14 0.00 -1.03 0.00 0.00 54.13 54.87 1uwm s LEU 64 Cb -0.36 -4.03 0.96 0.00 0.03 0.00 0.00 46.19 42.80 1uwm s LEU 64 CO 0.47 -0.42 1.81 -0.65 0.23 0.00 0.00 176.35 177.79 1uwm h PRO 65 N 1.19 0.52 -0.98 1.29 0.11 -1.98 -0.03 132.00 132.11 1uwm h PRO 65 Ca -0.47 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1uwm h PRO 65 Cb 1.19 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 1uwm h PRO 65 CO 0.64 0.35 0.64 1.15 -0.21 0.00 0.00 178.00 180.56 1uwm h THR 66 N 0.54 1.18 0.01 -1.15 2.02 -1.99 0.92 112.91 114.44 1uwm h THR 66 Ca 0.54 -0.43 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 1uwm h THR 66 Cb 1.14 -0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1uwm h THR 66 CO -0.27 0.23 -0.46 -0.08 0.37 0.00 0.00 175.52 175.30 1uwm h GLU 67 N 1.25 0.30 -0.84 6.66 4.81 -1.43 -3.02 114.58 122.31 1uwm h GLU 67 Ca 0.38 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1uwm h GLU 67 Cb -0.02 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1uwm h GLU 67 CO -0.11 1.04 0.52 1.79 -0.73 0.00 0.00 179.01 181.51 1uwm h THR 68 N -0.30 1.23 -0.70 0.32 1.35 -1.05 -0.57 112.91 113.18 1uwm h THR 68 Ca -0.06 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1uwm h THR 68 Cb 1.20 0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 1uwm h THR 68 CO 0.09 0.23 0.36 0.44 -0.25 0.00 0.00 175.52 176.39 1uwm h ASP 69 N 1.15 0.88 1.94 5.36 3.32 -0.85 -2.57 116.42 125.65 1uwm h ASP 69 Ca 0.30 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1uwm h ASP 69 Cb -0.07 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.25 1uwm h ASP 69 CO -0.06 0.73 0.00 -0.03 -1.72 0.00 0.00 179.24 178.16 1uwm h MET 70 N 0.98 0.00 -0.06 3.56 4.05 -1.14 -3.24 114.93 119.07 1uwm h MET 70 Ca 0.25 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.57 1uwm h MET 70 Cb 0.06 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1uwm h MET 70 CO -0.04 0.00 -0.39 0.82 0.23 0.00 0.00 176.91 177.53 1uwm h ILE 71 N 0.00 1.30 0.00 1.77 2.04 -0.72 -2.35 117.51 119.55 1uwm h ILE 71 Ca 0.00 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1uwm h ILE 71 Cb 0.97 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1uwm h ILE 71 CO 0.00 0.42 0.00 0.47 0.00 0.00 0.00 178.15 179.04 1uwm n ASP 72 N -4.05 0.24 -0.68 1.72 8.00 -1.22 -0.24 116.55 120.32 1uwm n ASP 72 Ca -0.02 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.20 1uwm n ASP 72 Cb 0.45 -0.64 0.04 0.00 -0.02 0.00 0.00 41.12 40.95 1uwm n ASP 72 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1uwm n PHE 73 N -1.81 0.00 -1.99 1.24 3.01 -0.88 -4.98 117.46 112.04 1uwm n PHE 73 Ca -0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 1uwm n PHE 73 Cb 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.58 1uwm n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uwm s ALA 74 N -2.16 2.82 -0.35 4.37 0.00 0.66 -4.77 121.76 122.34 1uwm s ALA 74 Ca 0.22 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1uwm s ALA 74 Cb 0.18 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1uwm s ALA 74 CO 0.42 -1.51 1.32 -0.47 0.00 0.00 0.00 175.76 175.53 1uwm s TYR 75 N -3.46 2.61 -0.96 0.00 5.04 -1.26 -4.19 117.35 115.13 1uwm s TYR 75 Ca 0.61 0.80 -0.11 0.00 -2.44 0.00 0.00 57.07 55.93 1uwm s TYR 75 Cb -0.11 -4.07 -0.00 0.00 0.35 0.00 0.00 41.96 38.13 1uwm s TYR 75 CO 0.48 -1.75 0.71 0.39 -1.34 0.00 0.00 175.55 174.04 1uwm n GLU 76 N 7.59 -1.26 -1.92 4.97 1.02 -1.26 -4.94 120.64 124.84 1uwm n GLU 76 Ca 0.15 0.75 -0.33 0.00 -0.02 0.00 0.00 57.16 57.71 1uwm n GLU 76 Cb 0.47 -3.77 0.03 0.00 -0.02 0.00 0.00 31.44 28.15 1uwm n GLU 76 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1uwm s PRO 77 N -5.12 3.07 -0.24 3.49 0.04 -1.26 -5.05 135.00 129.92 1uwm s PRO 77 Ca 0.23 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1uwm s PRO 77 Cb -0.09 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.51 1uwm s PRO 77 CO 0.86 -1.03 -0.13 1.21 0.04 0.00 0.00 177.00 177.95 1uwm s ASN 78 N -2.60 4.12 0.59 6.66 3.84 -1.26 -5.01 114.94 121.29 1uwm s ASN 78 Ca 0.66 -1.22 0.29 0.00 0.21 0.00 0.00 52.86 52.80 1uwm s ASN 78 Cb -0.19 -1.51 1.51 0.00 -0.55 0.00 0.00 41.25 40.51 1uwm s ASN 78 CO 0.38 -0.15 1.93 -0.65 -2.79 0.00 0.00 177.10 175.82 1uwm h PRO 79 N 7.82 0.00 0.01 0.43 0.11 -1.96 0.21 132.00 138.62 1uwm h PRO 79 Ca -0.25 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.74 1uwm h PRO 79 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1uwm h PRO 79 CO 0.50 0.00 -0.63 0.00 -0.21 0.00 0.00 178.00 177.66 1uwm h ALA 80 N 1.50 0.12 0.00 -0.75 0.00 -2.02 -3.43 119.26 114.69 1uwm h ALA 80 Ca 0.18 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1uwm h ALA 80 Cb 1.02 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1uwm h ALA 80 CO -0.00 0.35 -1.58 0.25 0.00 0.00 0.00 179.25 178.27 1uwm n THR 81 N -4.48 0.05 -1.70 0.00 -2.24 -1.10 -5.03 114.28 99.78 1uwm n THR 81 Ca -0.20 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 1uwm n THR 81 Cb 0.60 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1uwm n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1uwm n SER 82 N -1.96 3.14 -3.70 3.42 7.64 0.72 -2.15 113.62 120.74 1uwm n SER 82 Ca -0.03 1.16 -0.10 0.00 1.01 0.00 0.00 58.87 60.91 1uwm n SER 82 Cb 0.36 -1.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.01 1uwm n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1uwm s ARG 83 N -0.85 1.01 -0.33 1.43 1.81 -0.57 -4.92 118.95 116.54 1uwm s ARG 83 Ca 0.63 -0.78 -0.15 0.00 -1.72 0.00 0.00 55.73 53.71 1uwm s ARG 83 Cb -0.58 0.43 -0.02 0.00 -0.45 0.00 0.00 34.95 34.34 1uwm s ARG 83 CO 0.53 -0.38 0.36 -0.51 -0.68 0.00 0.00 175.30 174.62 1uwm s LEU 84 N -2.82 4.35 0.55 2.53 1.43 -1.26 -1.56 118.68 121.89 1uwm s LEU 84 Ca 0.04 -0.13 0.23 0.00 -1.03 0.00 0.00 54.13 53.24 1uwm s LEU 84 Cb 0.03 -2.35 1.45 0.00 0.03 0.00 0.00 46.19 45.35 1uwm s LEU 84 CO -0.12 -0.30 2.11 0.71 0.23 0.00 0.00 176.35 178.98 1uwm h THR 85 N 5.51 0.76 0.00 5.49 1.35 -1.70 -0.43 112.91 123.88 1uwm h THR 85 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1uwm h THR 85 Cb 1.15 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1uwm h THR 85 CO 0.68 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.95 1uwm n GLN 87 N -2.20 2.66 -4.52 0.00 1.13 -0.17 -4.84 117.38 109.43 1uwm n GLN 87 Ca 0.01 -2.52 -0.33 0.00 -1.94 0.00 0.00 57.00 52.21 1uwm n GLN 87 Cb 0.14 -1.54 -0.16 0.00 0.11 0.00 0.00 30.24 28.79 1uwm n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1uwm s ILE 88 N -1.15 2.26 -0.07 5.09 1.01 -0.57 -5.02 121.20 122.75 1uwm s ILE 88 Ca 0.45 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1uwm s ILE 88 Cb 0.24 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1uwm s ILE 88 CO 0.32 0.53 0.50 -0.75 0.00 0.00 0.00 174.94 175.54 1uwm s LYS 89 N 0.91 4.27 0.17 2.79 2.20 -1.26 -1.21 119.74 127.61 1uwm s LYS 89 Ca -0.04 0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 55.78 1uwm s LYS 89 Cb -0.15 -3.38 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 1uwm s LYS 89 CO -0.03 0.29 1.24 0.08 -0.36 0.00 0.00 175.35 176.57 1uwm s VAL 90 N 0.16 3.50 0.02 4.02 1.01 0.72 -4.92 120.40 124.91 1uwm s VAL 90 Ca 0.27 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.48 1uwm s VAL 90 Cb -0.16 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1uwm s VAL 90 CO 0.12 0.18 -0.04 0.42 0.00 0.00 0.00 175.10 175.78 1uwm s THR 91 N 0.15 0.21 0.40 3.92 -4.23 -1.26 -1.22 115.64 113.62 1uwm s THR 91 Ca 0.55 -0.79 0.19 0.00 -1.18 0.00 0.00 61.69 60.46 1uwm s THR 91 Cb -0.34 -0.31 0.40 0.00 1.34 0.00 0.00 72.50 73.59 1uwm s THR 91 CO 0.36 -0.37 1.77 0.77 -0.54 0.00 0.00 174.62 176.60 1uwm h SER 92 N 4.88 0.43 0.43 3.99 4.64 -1.95 0.45 113.55 126.42 1uwm h SER 92 Ca -0.32 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1uwm h SER 92 Cb 1.21 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1uwm h SER 92 CO 0.43 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.64 1uwm n LEU 93 N -4.62 0.00 -1.57 5.97 4.32 -1.26 -1.50 117.00 118.33 1uwm n LEU 93 Ca 0.26 0.45 0.10 0.00 -0.02 0.00 0.00 56.01 56.80 1uwm n LEU 93 Cb 0.90 -0.45 0.36 0.00 -1.62 0.00 0.00 43.42 42.61 1uwm n LEU 93 CO 0.26 -0.24 0.82 0.18 -1.22 0.00 0.00 177.39 177.19 1uwm n LEU 94 N -1.45 4.69 -4.67 2.23 4.77 0.16 -4.93 117.00 117.79 1uwm n LEU 94 Ca 0.04 -2.38 -0.45 0.00 -0.03 0.00 0.00 56.01 53.19 1uwm n LEU 94 Cb 0.15 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1uwm n LEU 94 CO 0.12 0.85 1.54 -0.67 -1.33 0.00 0.00 177.39 177.90 1uwm n ASP 95 N 1.24 3.78 0.00 -1.43 2.03 -0.56 -0.90 116.55 120.71 1uwm n ASP 95 Ca 0.26 0.94 0.00 0.00 0.52 0.00 0.00 54.79 56.51 1uwm n ASP 95 Cb 0.86 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1uwm n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uwm n GLY 96 N 4.45 0.70 3.71 0.27 0.00 0.51 -4.81 105.19 110.02 1uwm n GLY 96 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1uwm n GLY 96 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uwm n LEU 97 N 0.00 3.73 -4.31 0.99 7.94 -0.08 -4.74 117.00 120.54 1uwm n LEU 97 Ca 0.00 1.13 -0.34 0.00 -1.11 0.00 0.00 56.01 55.69 1uwm n LEU 97 Cb 0.00 -1.51 -0.14 0.00 0.53 0.00 0.00 43.42 42.29 1uwm n LEU 97 CO 0.00 -0.12 -0.44 -0.69 -1.11 0.00 0.00 177.39 175.03 1uwm s VAL 98 N 0.21 3.01 -0.04 1.96 1.01 -1.26 -0.94 120.40 124.34 1uwm s VAL 98 Ca 0.68 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1uwm s VAL 98 Cb -0.57 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1uwm s VAL 98 CO 0.46 0.49 -0.24 -0.69 0.00 0.00 0.00 175.10 175.12 1uwm s VAL 99 N 0.94 1.92 -0.21 2.92 1.01 0.50 -0.91 120.40 126.58 1uwm s VAL 99 Ca -0.02 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1uwm s VAL 99 Cb -0.15 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1uwm s VAL 99 CO -0.01 0.54 0.01 -1.00 0.00 0.00 0.00 175.10 174.64 1uwm s HIS 100 N -0.25 3.04 0.07 5.22 3.76 0.95 -0.39 115.29 127.70 1uwm s HIS 100 Ca -0.00 -0.50 -0.23 0.00 -0.15 0.00 0.00 55.06 54.18 1uwm s HIS 100 Cb -0.12 -2.11 -0.06 0.00 1.11 0.00 0.00 32.58 31.40 1uwm s HIS 100 CO 0.02 -0.28 0.69 -0.51 -0.85 0.00 0.00 174.74 173.81 1uwm s LEU 101 N 1.12 4.50 1.04 0.89 1.43 0.24 0.34 118.68 128.23 1uwm s LEU 101 Ca 0.03 1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 54.40 1uwm s LEU 101 Cb -0.14 -3.11 0.21 0.00 0.03 0.00 0.00 46.19 43.17 1uwm s LEU 101 CO 0.01 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.66 1uwm s PRO 102 N -0.59 0.13 0.35 1.29 0.04 -1.26 -2.94 135.00 132.01 1uwm s PRO 102 Ca 0.34 0.46 0.18 0.00 0.04 0.00 0.00 61.00 62.01 1uwm s PRO 102 Cb -0.20 -1.71 0.51 0.00 0.04 0.00 0.00 34.50 33.14 1uwm s PRO 102 CO 0.22 -2.92 1.65 1.49 0.04 0.00 0.00 177.00 177.48 1uwm h GLU 103 N -2.03 0.00 -3.86 4.56 4.81 -1.95 -3.42 114.58 112.68 1uwm h GLU 103 Ca -0.55 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.58 1uwm h GLU 103 Cb 1.33 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.56 1uwm h GLU 103 CO 0.56 0.42 -0.45 0.15 -0.73 0.00 0.00 179.01 178.96 1uwm s LYS 104 N -3.42 0.75 -0.04 1.92 1.02 -1.26 -5.06 119.74 113.65 1uwm s LYS 104 Ca 0.01 -0.94 0.06 0.00 0.02 0.00 0.00 55.97 55.12 1uwm s LYS 104 Cb 0.10 0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 37.69 1uwm s LYS 104 CO 0.70 -0.21 -0.24 -0.65 -0.92 0.00 0.00 175.35 174.03 1uwm s GLN 105 N -3.56 2.24 0.00 1.68 -1.52 -1.26 -4.57 119.66 112.67 1uwm s GLN 105 Ca 0.03 -0.85 0.00 0.00 -1.95 0.00 0.00 55.36 52.59 1uwm s GLN 105 Cb 0.04 -1.99 0.00 0.00 -0.22 0.00 0.00 33.01 30.84 1uwm s GLN 105 CO -0.09 0.41 0.07 0.44 -0.25 0.00 0.00 175.29 175.87