#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw0 n ALA 2 N 0.00 3.20 -3.64 -5.12 0.00 -1.26 -5.03 120.51 108.67 1uw0 n ALA 2 Ca 0.00 -3.94 -0.29 0.00 0.00 0.00 0.00 53.44 49.21 1uw0 n ALA 2 Cb 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 1uw0 n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1uw0 s GLU 3 N -1.08 0.90 0.14 0.00 2.12 -1.26 -5.12 118.70 114.40 1uw0 s GLU 3 Ca 0.31 -1.54 0.10 0.00 0.36 0.00 0.00 54.97 54.20 1uw0 s GLU 3 Cb 0.04 -1.92 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 1uw0 s GLU 3 CO -0.15 -1.13 -0.22 -0.65 -0.54 0.00 0.00 175.26 172.57 1uw0 s GLN 4 N 0.91 1.60 -0.09 4.30 1.11 -1.26 -4.82 119.66 121.42 1uw0 s GLN 4 Ca 0.16 -1.30 0.03 0.00 0.01 0.00 0.00 55.36 54.25 1uw0 s GLN 4 Cb -0.22 -1.99 -0.02 0.00 -1.01 0.00 0.00 33.01 29.77 1uw0 s GLN 4 CO -0.07 0.45 -0.18 1.03 0.01 0.00 0.00 175.29 176.54 1uw0 s ARG 5 N -2.22 2.88 0.04 2.91 1.81 -1.09 -5.00 118.95 118.29 1uw0 s ARG 5 Ca 0.17 -0.77 0.08 0.00 -1.72 0.00 0.00 55.73 53.49 1uw0 s ARG 5 Cb -0.10 -2.40 -0.03 0.00 -0.45 0.00 0.00 34.95 31.97 1uw0 s ARG 5 CO 0.09 0.37 -0.20 -0.06 -0.68 0.00 0.00 175.30 174.82 1uw0 s PHE 6 N -0.09 2.51 0.09 -0.53 0.08 -1.26 -0.15 117.98 118.63 1uw0 s PHE 6 Ca -0.04 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 56.77 1uw0 s PHE 6 Cb -0.14 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1uw0 s PHE 6 CO 0.04 0.23 -0.12 0.00 -0.10 0.00 0.00 175.22 175.27 1uw0 s VAL 8 N -1.92 1.33 0.09 0.00 -7.23 -1.01 0.10 120.40 111.76 1uw0 s VAL 8 Ca 0.03 -0.62 -0.10 0.00 -1.81 0.00 0.00 61.98 59.49 1uw0 s VAL 8 Cb -0.06 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1uw0 s VAL 8 CO 0.02 0.39 0.21 -0.62 -0.31 0.00 0.00 175.10 174.79 1uw0 s ASP 9 N 0.40 0.08 0.16 4.85 -1.08 0.26 -4.21 116.67 117.13 1uw0 s ASP 9 Ca -0.11 -0.59 0.03 0.00 -0.52 0.00 0.00 52.55 51.35 1uw0 s ASP 9 Cb -0.14 0.35 -0.03 0.00 -1.46 0.00 0.00 42.92 41.63 1uw0 s ASP 9 CO 0.04 -0.73 0.29 -0.31 0.52 0.00 0.00 175.17 174.97 1uw0 s TYR 10 N -3.76 3.46 -0.09 -5.34 2.02 -1.26 -0.01 117.35 112.36 1uw0 s TYR 10 Ca 0.04 0.09 -0.02 0.00 -0.37 0.00 0.00 57.07 56.81 1uw0 s TYR 10 Cb 0.04 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1uw0 s TYR 10 CO -0.11 0.51 -0.01 0.00 -1.57 0.00 0.00 175.55 174.37 1uw0 s ALA 11 N -1.78 3.21 -0.16 3.71 0.00 -0.11 -4.87 121.76 121.77 1uw0 s ALA 11 Ca 0.34 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 1uw0 s ALA 11 Cb -0.11 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.62 1uw0 s ALA 11 CO 0.28 0.54 0.37 0.21 0.00 0.00 0.00 175.76 177.15 1uw0 s LYS 12 N -0.71 0.32 -0.14 0.00 2.20 -1.26 -1.40 119.74 118.75 1uw0 s LYS 12 Ca 0.11 0.77 -0.09 0.00 -0.36 0.00 0.00 55.97 56.40 1uw0 s LYS 12 Cb -0.12 0.01 0.03 0.00 -1.51 0.00 0.00 37.83 36.25 1uw0 s LYS 12 CO 0.02 -0.18 0.18 -2.13 -0.36 0.00 0.00 175.35 172.88 1uw0 n ARG 13 N 4.51 -3.73 -0.14 4.03 0.63 -1.26 -4.77 116.66 115.93 1uw0 n ARG 13 Ca -0.20 2.88 0.00 0.00 -0.92 0.00 0.00 57.85 59.61 1uw0 n ARG 13 Cb 0.53 -4.00 0.00 0.00 0.45 0.00 0.00 32.46 29.44 1uw0 n ARG 13 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1uw0 n GLY 14 N 1.89 0.46 3.55 5.14 0.00 -1.26 -4.97 105.19 110.00 1uw0 n GLY 14 Ca -0.31 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 1uw0 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uw0 s THR 15 N -3.86 -0.00 -0.22 2.61 -4.23 -1.26 -4.84 115.64 103.84 1uw0 s THR 15 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.48 1uw0 s THR 15 Cb 0.00 -0.90 0.10 0.00 1.34 0.00 0.00 72.50 73.03 1uw0 s THR 15 CO 0.00 0.00 0.20 0.00 -0.54 0.00 0.00 174.62 174.28 1uw0 s ALA 16 N 0.54 -0.08 -0.15 3.99 0.00 -1.23 -4.91 121.76 119.92 1uw0 s ALA 16 Ca -0.02 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.56 1uw0 s ALA 16 Cb -0.05 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1uw0 s ALA 16 CO -0.02 -1.34 1.92 0.20 0.00 0.00 0.00 175.76 176.52 1uw0 s GLY 17 N 2.27 1.04 0.17 0.00 0.00 -1.26 0.10 107.32 109.65 1uw0 s GLY 17 Ca 0.07 0.82 -0.32 0.00 0.00 0.00 0.00 44.72 45.29 1uw0 s GLY 17 CO -0.18 3.42 1.73 0.00 0.00 0.00 0.00 173.10 178.06 1uw0 s LYS 19 N 1.66 2.97 -1.43 0.00 2.47 -0.96 -2.61 119.74 121.84 1uw0 s LYS 19 Ca 0.76 2.09 -0.06 0.00 -1.56 0.00 0.00 55.97 57.19 1uw0 s LYS 19 Cb -0.47 -2.08 0.04 0.00 -1.46 0.00 0.00 37.83 33.85 1uw0 s LYS 19 CO 0.33 -1.28 0.79 1.63 0.16 0.00 0.00 175.35 176.97 1uw0 n LYS 20 N -1.36 -4.91 -3.52 4.03 5.02 -1.26 -4.90 118.16 111.25 1uw0 n LYS 20 Ca 0.12 0.58 -0.12 0.00 -2.02 0.00 0.00 58.31 56.87 1uw0 n LYS 20 Cb 0.47 -5.23 -0.04 0.00 -0.02 0.00 0.00 35.03 30.21 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uw0 n LYS 22 N 0.36 2.94 -3.58 0.00 4.76 -1.26 -4.64 118.16 116.74 1uw0 n LYS 22 Ca -0.13 -3.64 -0.14 0.00 -2.87 0.00 0.00 58.31 51.54 1uw0 n LYS 22 Cb 0.60 -2.28 -0.05 0.00 -1.84 0.00 0.00 35.03 31.46 1uw0 n LYS 22 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1uw0 n GLU 23 N -0.73 0.34 -4.37 1.97 2.13 -1.26 -5.06 120.64 113.66 1uw0 n GLU 23 Ca 0.55 -2.37 -0.19 0.00 0.66 0.00 0.00 57.16 55.80 1uw0 n GLU 23 Cb 0.58 2.00 -0.10 0.00 0.27 0.00 0.00 31.44 34.19 1uw0 n GLU 23 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1uw0 s LYS 24 N -2.92 1.39 -0.32 5.31 1.02 -1.26 -1.54 119.74 121.42 1uw0 s LYS 24 Ca 0.28 -1.65 0.04 0.00 0.02 0.00 0.00 55.97 54.66 1uw0 s LYS 24 Cb 0.01 -1.09 0.09 0.00 -0.52 0.00 0.00 37.83 36.32 1uw0 s LYS 24 CO 0.20 0.12 0.00 0.42 -0.92 0.00 0.00 175.35 175.18 1uw0 s ILE 25 N -3.02 2.23 -0.20 2.17 1.01 0.28 -4.78 121.20 118.90 1uw0 s ILE 25 Ca 0.25 -2.13 -0.27 0.00 0.00 0.00 0.00 60.65 58.49 1uw0 s ILE 25 Cb 0.01 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 40.01 1uw0 s ILE 25 CO 0.08 -0.43 0.79 0.54 0.00 0.00 0.00 174.94 175.92 1uw0 s VAL 26 N 0.97 0.00 -0.12 2.92 0.11 -1.26 -3.50 120.40 119.51 1uw0 s VAL 26 Ca 0.05 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.02 1uw0 s VAL 26 Cb -0.19 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.69 1uw0 s VAL 26 CO -0.07 0.00 0.16 1.17 -3.33 0.00 0.00 175.10 173.03 1uw0 n LYS 27 N 1.89 -3.45 -0.82 1.54 3.00 -0.49 -4.24 118.16 115.58 1uw0 n LYS 27 Ca -0.15 2.69 0.00 0.00 -0.00 0.00 0.00 58.31 60.85 1uw0 n LYS 27 Cb 0.56 -3.59 0.00 0.00 0.00 0.00 0.00 35.03 32.00 1uw0 n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uw0 n GLY 28 N 1.99 0.61 3.17 3.14 0.00 -1.24 -5.00 105.19 107.86 1uw0 n GLY 28 Ca -0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1uw0 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uw0 s VAL 29 N -2.11 1.59 -0.11 1.61 1.01 -1.26 -5.04 120.40 116.09 1uw0 s VAL 29 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1uw0 s VAL 29 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1uw0 s VAL 29 CO 0.00 0.45 0.10 0.00 0.00 0.00 0.00 175.10 175.65 1uw0 s ARG 31 N -0.99 0.91 -0.08 0.00 3.03 0.99 -4.19 118.95 118.62 1uw0 s ARG 31 Ca 0.15 -1.03 0.00 0.00 2.03 0.00 0.00 55.73 56.88 1uw0 s ARG 31 Cb -0.12 -0.97 -0.03 0.00 -1.03 0.00 0.00 34.95 32.81 1uw0 s ARG 31 CO 0.04 0.22 -0.08 0.42 -1.13 0.00 0.00 175.30 174.77 1uw0 s ILE 32 N -1.31 3.63 -0.21 4.99 1.01 -1.25 -0.57 121.20 127.49 1uw0 s ILE 32 Ca 0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 1uw0 s ILE 32 Cb -0.10 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1uw0 s ILE 32 CO 0.03 0.58 0.08 -0.83 0.00 0.00 0.00 174.94 174.80 1uw0 s GLY 33 N -0.60 1.86 -0.24 6.18 0.00 0.29 -3.15 107.32 111.66 1uw0 s GLY 33 Ca 0.09 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.85 1uw0 s GLY 33 CO 0.02 0.26 0.04 1.25 0.00 0.00 0.00 173.10 174.67 1uw0 s LYS 34 N 0.89 3.60 -0.43 2.90 2.20 -1.16 0.63 119.74 128.37 1uw0 s LYS 34 Ca 0.04 -0.51 -0.14 0.00 -0.36 0.00 0.00 55.97 55.00 1uw0 s LYS 34 Cb -0.14 -3.24 0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1uw0 s LYS 34 CO 0.03 -0.17 0.32 0.08 -0.36 0.00 0.00 175.35 175.25 1uw0 s VAL 35 N 1.52 5.00 0.03 4.02 1.01 0.79 -3.56 120.40 129.20 1uw0 s VAL 35 Ca 0.06 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1uw0 s VAL 35 Cb -0.15 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1uw0 s VAL 35 CO 0.02 -0.43 -0.20 0.54 0.00 0.00 0.00 175.10 175.03 1uw0 s VAL 36 N 1.61 1.64 -0.00 2.92 0.11 -1.15 -2.69 120.40 122.84 1uw0 s VAL 36 Ca 0.04 -1.10 -0.30 0.00 -2.93 0.00 0.00 61.98 57.69 1uw0 s VAL 36 Cb -0.22 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.18 1uw0 s VAL 36 CO 0.07 0.27 1.29 -2.16 -3.33 0.00 0.00 175.10 171.24 1uw0 s PRO 37 N -0.98 4.34 -0.28 1.54 0.04 -1.26 -2.24 135.00 136.16 1uw0 s PRO 37 Ca 0.07 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 62.86 1uw0 s PRO 37 Cb -0.08 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 1uw0 s PRO 37 CO 0.01 -0.46 0.11 -0.80 0.04 0.00 0.00 177.00 175.90 1uw0 s ASN 38 N 1.54 5.37 -1.08 6.66 -0.87 0.36 -4.98 114.94 121.93 1uw0 s ASN 38 Ca 0.60 -0.36 -0.18 0.00 -1.57 0.00 0.00 52.86 51.34 1uw0 s ASN 38 Cb -0.29 -1.97 -0.07 0.00 -0.02 0.00 0.00 41.25 38.91 1uw0 s ASN 38 CO 0.26 -0.11 2.06 -0.81 -2.57 0.00 0.00 177.10 175.93 1uw0 n PRO 39 N 4.95 2.11 0.17 -0.60 -0.04 -1.26 -4.05 135.00 136.29 1uw0 n PRO 39 Ca -0.15 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1uw0 n PRO 39 Cb 0.50 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1uw0 n PRO 39 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1uw0 n PHE 40 N 6.85 -3.29 -4.17 0.54 7.35 -1.26 -5.13 117.46 118.34 1uw0 n PHE 40 Ca 0.51 0.88 -0.24 0.00 -0.76 0.00 0.00 57.45 57.83 1uw0 n PHE 40 Cb 0.40 1.92 -0.06 0.00 0.35 0.00 0.00 39.48 42.09 1uw0 n PHE 40 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1uw0 s SER 41 N -3.77 5.11 -0.20 -2.13 1.04 -1.26 -5.05 113.70 107.44 1uw0 s SER 41 Ca 0.00 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1uw0 s SER 41 Cb 0.00 -1.19 -0.21 0.00 0.10 0.00 0.00 66.02 64.72 1uw0 s SER 41 CO 0.00 0.03 0.03 -0.62 0.98 0.00 0.00 173.24 173.66 1uw0 n GLU 42 N -0.64 0.70 -0.37 4.02 4.71 -1.26 -4.29 120.64 123.50 1uw0 n GLU 42 Ca -0.08 0.19 0.01 0.00 -0.01 0.00 0.00 57.16 57.27 1uw0 n GLU 42 Cb 0.57 -1.60 0.15 0.00 -1.01 0.00 0.00 31.44 29.54 1uw0 n GLU 42 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1uw0 h SER 43 N 0.03 1.07 -3.00 1.62 0.87 -2.01 -3.20 113.55 108.94 1uw0 h SER 43 Ca -0.51 -0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.32 1uw0 h SER 43 Cb 1.96 -0.24 -0.34 0.00 -0.44 0.00 0.00 62.40 63.34 1uw0 h SER 43 CO -0.01 0.72 0.09 0.61 -0.53 0.00 0.00 176.83 177.71 1uw0 n GLY 44 N -1.37 4.56 0.19 5.77 0.00 -1.26 -4.88 105.19 108.20 1uw0 n GLY 44 Ca 0.14 -2.65 -0.08 0.00 0.00 0.00 0.00 46.02 43.42 1uw0 n GLY 44 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uw0 h GLY 45 N 5.52 0.62 -4.91 -0.02 0.00 -1.74 -3.43 103.07 99.11 1uw0 h GLY 45 Ca 0.18 -0.29 -0.69 0.00 0.00 0.00 0.00 47.33 46.54 1uw0 h GLY 45 CO 1.00 0.27 -0.80 0.99 0.00 0.00 0.00 176.54 178.00 1uw0 s ASP 46 N -5.72 3.75 0.02 0.19 1.11 -1.26 -0.49 116.67 114.27 1uw0 s ASP 46 Ca -0.13 -0.29 0.07 0.00 0.18 0.00 0.00 52.55 52.39 1uw0 s ASP 46 Cb 0.10 -0.80 -0.03 0.00 1.07 0.00 0.00 42.92 43.26 1uw0 s ASP 46 CO 0.74 0.32 -0.20 -0.32 1.18 0.00 0.00 175.17 176.88 1uw0 s MET 47 N -0.58 2.07 -0.12 8.23 1.75 -0.95 -4.89 119.30 124.81 1uw0 s MET 47 Ca 0.08 -0.97 0.02 0.00 -1.25 0.00 0.00 55.69 53.58 1uw0 s MET 47 Cb -0.11 -2.15 -0.00 0.00 2.84 0.00 0.00 34.83 35.41 1uw0 s MET 47 CO 0.01 0.55 -0.20 0.21 -0.65 0.00 0.00 175.02 174.94 1uw0 s LYS 48 N -1.19 3.15 0.10 4.11 2.20 -1.25 -2.94 119.74 123.91 1uw0 s LYS 48 Ca 0.13 -0.81 0.09 0.00 -0.36 0.00 0.00 55.97 55.02 1uw0 s LYS 48 Cb -0.10 -2.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.73 1uw0 s LYS 48 CO 0.03 0.13 -0.23 -1.21 -0.36 0.00 0.00 175.35 173.71 1uw0 s GLU 49 N 0.49 1.32 0.41 4.03 8.01 -1.23 -4.88 118.70 126.85 1uw0 s GLU 49 Ca -0.13 -1.18 0.01 0.00 0.01 0.00 0.00 54.97 53.68 1uw0 s GLU 49 Cb -0.17 -1.62 -0.01 0.00 -4.31 0.00 0.00 34.13 28.02 1uw0 s GLU 49 CO 0.05 0.39 0.62 -1.58 0.01 0.00 0.00 175.26 174.75 1uw0 s TRP 50 N -1.03 3.29 0.29 1.61 0.23 -1.26 -3.00 118.94 119.07 1uw0 s TRP 50 Ca 0.09 0.22 -0.03 0.00 -2.03 0.00 0.00 56.10 54.35 1uw0 s TRP 50 Cb -0.10 -2.16 -0.01 0.00 0.03 0.00 0.00 33.47 31.23 1uw0 s TRP 50 CO 0.04 -0.19 0.38 0.71 0.96 0.00 0.00 176.95 178.85 1uw0 s TYR 51 N -2.45 1.00 0.35 -1.98 2.02 -1.19 -2.25 117.35 112.86 1uw0 s TYR 51 Ca 0.46 -1.22 0.05 0.00 -0.37 0.00 0.00 57.07 55.99 1uw0 s TYR 51 Cb -0.10 -0.19 0.06 0.00 -0.40 0.00 0.00 41.96 41.33 1uw0 s TYR 51 CO 0.37 -0.97 0.49 0.72 -1.57 0.00 0.00 175.55 174.59 1uw0 n HIS 52 N -0.47 -2.62 0.06 2.71 8.25 -1.26 -3.80 115.22 118.09 1uw0 n HIS 52 Ca 0.01 -1.25 -0.15 0.00 -0.26 0.00 0.00 57.72 56.08 1uw0 n HIS 52 Cb 0.63 -0.34 -0.14 0.00 1.12 0.00 0.00 29.99 31.26 1uw0 n HIS 52 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1uw0 h ILE 53 N 0.02 1.22 0.03 1.59 1.08 -2.01 -3.25 117.51 116.19 1uw0 h ILE 53 Ca -0.16 -2.89 -0.32 0.00 -0.39 0.00 0.00 64.86 61.10 1uw0 h ILE 53 Cb 0.75 2.75 -0.05 0.00 -3.07 0.00 0.00 36.82 37.20 1uw0 h ILE 53 CO 0.23 0.81 -1.86 1.17 -0.69 0.00 0.00 178.15 177.82 1uw0 n LYS 54 N -3.40 0.67 0.12 2.37 4.81 -1.26 -3.43 118.16 118.03 1uw0 n LYS 54 Ca -0.14 0.26 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 1uw0 n LYS 54 Cb 1.03 -1.74 -0.08 0.00 0.02 0.00 0.00 35.03 34.25 1uw0 n LYS 54 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uw0 h MET 56 N -0.44 0.85 0.00 0.00 1.85 -1.76 -1.39 114.93 114.04 1uw0 h MET 56 Ca -0.03 -0.34 -0.12 0.00 -0.61 0.00 0.00 59.70 58.60 1uw0 h MET 56 Cb 0.34 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 1uw0 h MET 56 CO 0.05 0.98 -0.59 0.74 -0.40 0.00 0.00 176.91 177.69 1uw0 h PHE 57 N 0.74 0.00 -0.03 1.39 0.04 -1.57 -2.71 116.94 114.80 1uw0 h PHE 57 Ca 0.10 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.64 1uw0 h PHE 57 Cb 0.74 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.89 1uw0 h PHE 57 CO 0.04 0.59 -0.91 1.49 -0.60 0.00 0.00 178.31 178.92 1uw0 h GLU 58 N 0.00 0.52 -0.45 1.51 4.81 0.87 -2.59 114.58 119.26 1uw0 h GLU 58 Ca -0.01 -0.52 -0.12 0.00 -0.13 0.00 0.00 59.36 58.58 1uw0 h GLU 58 Cb 1.29 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 1uw0 h GLU 58 CO 0.08 1.15 -0.19 -0.22 -0.73 0.00 0.00 179.01 179.10 1uw0 h LYS 59 N 0.31 0.93 -0.81 1.92 1.63 -1.26 -1.36 116.57 117.93 1uw0 h LYS 59 Ca -0.08 -0.39 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1uw0 h LYS 59 Cb 1.54 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 33.10 1uw0 h LYS 59 CO 0.17 1.05 0.38 1.25 -3.45 0.00 0.00 179.45 178.85 1uw0 h LEU 60 N 0.76 1.06 -0.77 5.20 5.85 -1.50 0.85 115.31 126.77 1uw0 h LEU 60 Ca 0.10 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 1uw0 h LEU 60 Cb 0.76 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1uw0 h LEU 60 CO 0.06 0.91 -0.49 -0.08 -0.34 0.00 0.00 178.44 178.49 1uw0 h GLU 61 N 1.15 0.31 0.01 1.25 4.81 -1.30 -3.22 114.58 117.58 1uw0 h GLU 61 Ca 0.28 -0.17 -0.27 0.00 -0.13 0.00 0.00 59.36 59.06 1uw0 h GLU 61 Cb 0.13 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1uw0 h GLU 61 CO -0.03 0.73 -1.50 -0.09 -0.73 0.00 0.00 179.01 177.39 1uw0 h ARG 62 N 0.25 0.02 -4.31 1.92 1.12 -0.81 -3.42 114.38 109.14 1uw0 h ARG 62 Ca 0.01 -0.04 -0.72 0.00 -1.11 0.00 0.00 59.98 58.12 1uw0 h ARG 62 Cb 0.96 0.01 -0.30 0.00 -0.01 0.00 0.00 29.97 30.63 1uw0 h ARG 62 CO 0.08 0.70 -0.41 0.00 -3.11 0.00 0.00 179.97 177.22 1uw0 s ALA 63 N -2.63 3.36 -0.30 2.80 0.00 0.29 -5.04 121.76 120.25 1uw0 s ALA 63 Ca -0.04 -2.55 0.03 0.00 0.00 0.00 0.00 51.96 49.40 1uw0 s ALA 63 Cb 0.08 -2.76 0.08 0.00 0.00 0.00 0.00 23.12 20.52 1uw0 s ALA 63 CO 0.82 -1.90 -0.01 0.50 0.00 0.00 0.00 175.76 175.18 1uw0 s ARG 64 N 1.30 1.70 -0.05 0.00 3.52 -1.26 -4.63 118.95 119.53 1uw0 s ARG 64 Ca 0.06 -1.56 -0.04 0.00 -0.13 0.00 0.00 55.73 54.07 1uw0 s ARG 64 Cb -0.25 -2.96 -0.27 0.00 -1.56 0.00 0.00 34.95 29.90 1uw0 s ARG 64 CO -0.01 -0.78 0.63 0.00 -0.81 0.00 0.00 175.30 174.33 1uw0 h ALA 65 N 7.73 0.37 0.00 6.12 0.00 -1.96 -3.48 119.26 128.04 1uw0 h ALA 65 Ca -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1uw0 h ALA 65 Cb 1.03 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1uw0 h ALA 65 CO 0.49 1.23 0.00 0.25 0.00 0.00 0.00 179.25 181.22 1uw0 n THR 66 N -3.44 0.00 -4.26 0.00 -2.24 -1.26 -5.15 114.28 97.93 1uw0 n THR 66 Ca -0.23 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.32 1uw0 n THR 66 Cb 1.05 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 1uw0 n THR 66 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1uw0 s THR 67 N -2.00 3.44 0.02 4.28 2.01 -1.26 -5.13 115.64 116.99 1uw0 s THR 67 Ca 0.00 -1.85 -0.03 0.00 0.31 0.00 0.00 61.69 60.12 1uw0 s THR 67 Cb 0.00 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1uw0 s THR 67 CO 0.00 -0.34 0.21 -0.54 -0.69 0.00 0.00 174.62 173.26 1uw0 s LYS 68 N -3.71 3.47 0.24 4.92 1.02 -1.26 -5.02 119.74 119.41 1uw0 s LYS 68 Ca 0.32 -0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.08 1uw0 s LYS 68 Cb -0.06 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1uw0 s LYS 68 CO 0.21 0.65 0.33 0.15 -0.92 0.00 0.00 175.35 175.76 1uw0 s LYS 69 N -2.06 3.33 -0.15 1.68 1.02 -1.26 -4.85 119.74 117.44 1uw0 s LYS 69 Ca 0.30 -0.82 -0.10 0.00 0.02 0.00 0.00 55.97 55.36 1uw0 s LYS 69 Cb -0.13 -2.82 0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1uw0 s LYS 69 CO 0.20 0.42 0.20 -0.89 -0.92 0.00 0.00 175.35 174.36 1uw0 n ILE 70 N -1.37-10.49 -4.63 2.17 5.41 -1.26 -5.01 119.36 104.19 1uw0 n ILE 70 Ca -0.09 2.22 -0.32 0.00 1.00 0.00 0.00 62.75 65.57 1uw0 n ILE 70 Cb 0.57 -5.73 -0.12 0.00 -0.71 0.00 0.00 39.64 33.65 1uw0 n ILE 70 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1uw0 s GLU 71 N -0.55 2.36 1.07 0.38 0.41 -1.26 -5.04 118.70 116.08 1uw0 s GLU 71 Ca -0.23 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.52 1uw0 s GLU 71 Cb 0.02 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 1uw0 s GLU 71 CO 0.63 0.58 0.00 -3.47 -0.49 0.00 0.00 175.26 172.52 1uw0 n ASP 72 N 1.72 -4.40 -1.75 -0.19 -0.08 -1.26 -4.43 116.55 106.16 1uw0 n ASP 72 Ca -0.16 0.24 -0.14 0.00 -1.51 0.00 0.00 54.79 53.22 1uw0 n ASP 72 Cb 0.52 -0.73 0.07 0.00 2.34 0.00 0.00 41.12 43.32 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1uw0 n LEU 73 N 0.00 3.98 -2.32 -2.67 7.94 -1.26 -4.73 117.00 117.93 1uw0 n LEU 73 Ca 0.00 -4.30 0.00 0.00 -1.11 0.00 0.00 56.01 50.60 1uw0 n LEU 73 Cb 0.10 -0.30 0.04 0.00 0.53 0.00 0.00 43.42 43.80 1uw0 n LEU 73 CO 0.00 1.79 0.13 0.35 -1.11 0.00 0.00 177.39 178.56 1uw0 n THR 74 N -0.75 0.65 -2.40 1.96 -2.24 -1.26 -4.89 114.28 105.35 1uw0 n THR 74 Ca 0.34 -1.91 0.01 0.00 -2.27 0.00 0.00 64.05 60.22 1uw0 n THR 74 Cb 0.90 1.12 0.06 0.00 -2.10 0.00 0.00 70.33 70.31 1uw0 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uw0 n GLU 75 N -0.40 1.04 -4.07 -0.78 1.02 -1.26 -5.08 120.64 111.10 1uw0 n GLU 75 Ca 0.00 -2.80 -0.09 0.00 -0.02 0.00 0.00 57.16 54.25 1uw0 n GLU 75 Cb 0.90 -0.89 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1uw0 n GLU 75 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1uw0 s LEU 76 N -1.85 2.40 -0.57 -4.62 1.43 -1.26 -4.94 118.68 109.26 1uw0 s LEU 76 Ca 0.34 -0.82 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 1uw0 s LEU 76 Cb 0.37 0.09 0.05 0.00 0.03 0.00 0.00 46.19 46.73 1uw0 s LEU 76 CO -0.10 -0.46 0.95 -0.70 0.23 0.00 0.00 176.35 176.27 1uw0 s GLU 77 N -3.02 3.29 0.00 1.70 2.12 -1.24 -4.04 118.70 117.51 1uw0 s GLU 77 Ca 0.00 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1uw0 s GLU 77 Cb 0.01 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.31 1uw0 s GLU 77 CO -0.06 -1.56 0.00 0.41 -0.54 0.00 0.00 175.26 173.52 1uw0 n GLY 78 N 5.16 1.49 0.34 -1.50 0.00 -1.26 -2.40 105.19 107.02 1uw0 n GLY 78 Ca 0.01 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1uw0 n GLY 78 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1uw0 h TRP 79 N 0.00 0.52 -0.75 1.61 5.08 -1.74 -1.53 115.95 119.13 1uw0 h TRP 79 Ca 0.00 0.01 0.11 0.00 1.08 0.00 0.00 58.89 60.09 1uw0 h TRP 79 Cb 0.00 -0.17 -0.05 0.00 -3.00 0.00 0.00 29.16 25.94 1uw0 h TRP 79 CO 0.00 0.27 0.49 1.49 -1.28 0.00 0.00 178.44 179.42 1uw0 h GLU 80 N 0.51 0.59 -0.02 0.12 4.81 -1.94 -1.48 114.58 117.16 1uw0 h GLU 80 Ca 0.25 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 1uw0 h GLU 80 Cb 0.31 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1uw0 h GLU 80 CO -0.07 0.39 -0.77 0.93 -0.73 0.00 0.00 179.01 178.76 1uw0 h GLU 81 N 0.61 0.21 -6.28 1.92 5.08 -1.68 -3.46 114.58 110.98 1uw0 h GLU 81 Ca 0.35 -0.19 -0.34 0.00 -1.00 0.00 0.00 59.36 58.18 1uw0 h GLU 81 Cb 0.55 0.05 0.18 0.00 0.50 0.00 0.00 28.75 30.03 1uw0 h GLU 81 CO -0.13 0.88 -0.83 1.28 -1.00 0.00 0.00 179.01 179.22 1uw0 n LEU 82 N -3.74 -1.89 -4.85 1.33 4.32 -0.56 -5.00 117.00 106.61 1uw0 n LEU 82 Ca -0.03 -0.26 -0.21 0.00 -0.02 0.00 0.00 56.01 55.49 1uw0 n LEU 82 Cb 0.73 -0.81 -0.04 0.00 -1.62 0.00 0.00 43.42 41.68 1uw0 n LEU 82 CO 0.46 -3.11 -0.13 -1.61 -1.22 0.00 0.00 177.39 171.79 1uw0 s GLU 83 N -3.32 2.90 0.10 3.23 2.02 -1.26 -4.93 118.70 117.43 1uw0 s GLU 83 Ca 0.44 -1.11 -0.22 0.00 0.02 0.00 0.00 54.97 54.09 1uw0 s GLU 83 Cb -0.07 -2.56 -0.11 0.00 0.10 0.00 0.00 34.13 31.50 1uw0 s GLU 83 CO 0.49 0.29 1.72 -0.44 0.02 0.00 0.00 175.26 177.35 1uw0 h ASP 84 N 1.38 -0.08 -0.66 -0.19 3.32 -1.97 0.60 116.42 118.82 1uw0 h ASP 84 Ca -0.47 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1uw0 h ASP 84 Cb 1.24 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 1uw0 h ASP 84 CO 0.60 -0.03 0.37 -0.55 -1.72 0.00 0.00 179.24 177.91 1uw0 h ASN 85 N -0.02 0.82 -0.15 6.45 -1.07 -2.00 -1.03 115.58 118.59 1uw0 h ASN 85 Ca 0.03 -0.06 -0.20 0.00 0.07 0.00 0.00 56.30 56.15 1uw0 h ASN 85 Cb 0.07 -0.21 0.01 0.00 -2.07 0.00 0.00 38.32 36.12 1uw0 h ASN 85 CO -0.07 0.66 -0.67 -0.33 0.07 0.00 0.00 177.43 177.09 1uw0 h GLU 86 N 0.93 0.71 -0.55 4.14 5.08 -1.83 -3.07 114.58 120.00 1uw0 h GLU 86 Ca 0.24 -0.57 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1uw0 h GLU 86 Cb 0.01 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1uw0 h GLU 86 CO -0.04 1.19 0.36 -0.22 -1.00 0.00 0.00 179.01 179.30 1uw0 h LYS 87 N 0.41 0.61 -0.38 2.33 3.64 0.69 -1.38 116.57 122.49 1uw0 h LYS 87 Ca -0.04 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1uw0 h LYS 87 Cb 1.30 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1uw0 h LYS 87 CO 0.14 0.40 -0.05 1.49 -2.27 0.00 0.00 179.45 179.17 1uw0 h GLU 88 N 0.63 0.63 -0.14 1.90 4.81 -1.11 -1.66 114.58 119.64 1uw0 h GLU 88 Ca 0.22 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1uw0 h GLU 88 Cb 0.10 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1uw0 h GLU 88 CO -0.06 0.69 -0.04 0.37 -0.73 0.00 0.00 179.01 179.24 1uw0 h GLN 89 N 0.59 0.28 -0.34 1.92 5.75 -1.21 -2.42 115.11 119.69 1uw0 h GLN 89 Ca 0.12 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 1uw0 h GLN 89 Cb 0.45 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1uw0 h GLN 89 CO 0.02 0.57 -0.00 0.97 -2.65 0.00 0.00 178.83 177.74 1uw0 h ILE 90 N -0.03 1.20 -0.75 2.39 2.10 -1.37 -2.36 117.51 118.68 1uw0 h ILE 90 Ca 0.04 -0.78 -0.05 0.00 1.08 0.00 0.00 64.86 65.14 1uw0 h ILE 90 Cb 0.47 0.95 -0.03 0.00 -1.09 0.00 0.00 36.82 37.11 1uw0 h ILE 90 CO 0.01 0.27 0.28 0.71 -1.08 0.00 0.00 178.15 178.34 1uw0 h THR 91 N 0.50 1.25 -0.93 2.19 1.35 -1.17 -2.39 112.91 113.72 1uw0 h THR 91 Ca 0.11 -0.83 0.10 0.00 -0.55 0.00 0.00 66.41 65.24 1uw0 h THR 91 Cb 0.33 0.38 -0.07 0.00 -1.73 0.00 0.00 68.15 67.06 1uw0 h THR 91 CO 0.01 0.33 0.60 -0.61 -0.25 0.00 0.00 175.52 175.60 1uw0 h GLN 92 N 1.09 0.91 0.33 4.72 4.15 -0.91 0.12 115.11 125.52 1uw0 h GLN 92 Ca 0.25 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 1uw0 h GLN 92 Cb 0.24 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1uw0 h GLN 92 CO -0.02 0.60 -0.16 0.45 -1.93 0.00 0.00 178.83 177.77 1uw0 h HIS 93 N 0.93 -0.41 -0.77 3.99 3.86 -1.37 0.10 115.15 121.48 1uw0 h HIS 93 Ca 0.43 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.61 1uw0 h HIS 93 Cb 0.41 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 1uw0 h HIS 93 CO -0.00 -0.23 0.39 0.82 0.86 0.00 0.00 177.93 179.77 1uw0 h ILE 94 N -0.48 1.24 -0.91 2.45 2.04 -1.37 -0.69 117.51 119.78 1uw0 h ILE 94 Ca -0.05 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1uw0 h ILE 94 Cb 0.36 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1uw0 h ILE 94 CO 0.07 0.28 0.53 0.00 0.00 0.00 0.00 178.15 179.03 1uw0 h ALA 95 N 1.33 1.17 -0.31 1.87 0.00 -0.67 0.26 119.26 122.92 1uw0 h ALA 95 Ca 0.27 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1uw0 h ALA 95 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1uw0 h ALA 95 CO -0.04 0.64 -0.17 -0.44 0.00 0.00 0.00 179.25 179.25 1uw0 h ASP 96 N 1.27 0.68 -0.47 0.00 5.19 -0.35 -2.88 116.42 119.85 1uw0 h ASP 96 Ca 0.32 -0.42 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1uw0 h ASP 96 Cb -0.02 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.28 1uw0 h ASP 96 CO -0.06 0.95 0.29 0.25 -3.12 0.00 0.00 179.24 177.55 1uw0 h LEU 97 N 0.42 0.57 -5.02 1.55 5.85 -0.68 -2.74 115.31 115.26 1uw0 h LEU 97 Ca 0.07 -0.03 -0.72 0.00 0.84 0.00 0.00 57.88 58.04 1uw0 h LEU 97 Cb 0.70 -0.14 -0.25 0.00 0.37 0.00 0.00 40.66 41.33 1uw0 h LEU 97 CO 0.05 0.44 0.97 -1.20 -0.34 0.00 0.00 178.44 178.36 1uw0 n SER 98 N -4.43 7.34 -2.49 1.25 7.64 0.04 -4.96 113.62 118.01 1uw0 n SER 98 Ca 0.04 -3.70 -0.06 0.00 1.01 0.00 0.00 58.87 56.16 1uw0 n SER 98 Cb 0.08 -1.11 -0.01 0.00 -1.01 0.00 0.00 64.21 62.16 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uw0 n SER 99 N -0.21 2.12 -2.61 6.43 2.88 -1.04 -4.94 113.62 116.25 1uw0 n SER 99 Ca 0.53 -1.40 -0.07 0.00 -1.33 0.00 0.00 58.87 56.60 1uw0 n SER 99 Cb 0.29 0.05 0.04 0.00 -0.75 0.00 0.00 64.21 63.85 1uw0 n SER 99 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1uw0 n LYS 100 N -0.30 2.24 -3.75 -1.46 5.02 -1.26 -5.06 118.16 113.59 1uw0 n LYS 100 Ca -0.03 -3.69 -0.14 0.00 -2.02 0.00 0.00 58.31 52.43 1uw0 n LYS 100 Cb 0.12 -1.79 -0.14 0.00 -0.02 0.00 0.00 35.03 33.20 1uw0 n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uw0 s ALA 101 N -3.73 -0.25 -0.29 7.82 0.00 -1.26 -4.95 121.76 119.10 1uw0 s ALA 101 Ca 0.34 0.66 0.20 0.00 0.00 0.00 0.00 51.96 53.16 1uw0 s ALA 101 Cb 0.35 -0.44 0.48 0.00 0.00 0.00 0.00 23.12 23.51 1uw0 s ALA 101 CO -0.02 -0.15 1.12 0.00 0.00 0.00 0.00 175.76 176.71 1uw0 n ALA 102 N 4.19 2.77 0.00 0.00 0.00 -1.26 -5.02 120.51 121.19 1uw0 n ALA 102 Ca -0.26 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1uw0 n ALA 102 Cb 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1uw0 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uw0 n GLY 103 N -0.55 1.97 3.51 0.00 0.00 -1.26 -4.99 105.19 103.87 1uw0 n GLY 103 Ca 0.05 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1uw0 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uw0 s THR 104 N 0.00 2.76 -0.08 2.61 -4.23 -1.26 -5.09 115.64 110.35 1uw0 s THR 104 Ca 0.00 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.11 1uw0 s THR 104 Cb 0.00 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1uw0 s THR 104 CO 0.00 -0.28 1.36 -2.16 -0.54 0.00 0.00 174.62 173.00 1uw0 s PRO 105 N -3.24 4.25 -0.31 3.99 0.04 -1.26 -4.92 135.00 133.56 1uw0 s PRO 105 Ca 0.27 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.23 1uw0 s PRO 105 Cb -0.07 -3.72 0.46 0.00 0.04 0.00 0.00 34.50 31.21 1uw0 s PRO 105 CO 0.15 -0.66 1.18 1.63 0.04 0.00 0.00 177.00 179.34 1uw0 n LYS 106 N 6.16 3.54 -3.29 4.56 5.02 -1.26 -4.99 118.16 127.89 1uw0 n LYS 106 Ca 0.14 -4.19 -0.11 0.00 -2.02 0.00 0.00 58.31 52.13 1uw0 n LYS 106 Cb 0.44 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 1uw0 n LYS 106 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1uw0 n LYS 107 N -0.68 -1.54 -3.90 1.97 4.81 -1.26 -4.96 118.16 112.60 1uw0 n LYS 107 Ca 0.42 1.33 -0.29 0.00 -0.87 0.00 0.00 58.31 58.91 1uw0 n LYS 107 Cb 0.93 -4.44 -0.12 0.00 0.02 0.00 0.00 35.03 31.41 1uw0 n LYS 107 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1uw0 s LYS 108 N -3.53 2.42 -0.21 1.64 1.02 -1.26 -5.04 119.74 114.77 1uw0 s LYS 108 Ca 0.05 -3.25 -0.00 0.00 0.02 0.00 0.00 55.97 52.79 1uw0 s LYS 108 Cb -0.01 -3.43 0.06 0.00 -0.52 0.00 0.00 37.83 33.93 1uw0 s LYS 108 CO 0.81 -1.26 -0.04 0.00 -0.92 0.00 0.00 175.35 173.94 1uw0 s ALA 109 N -1.29 1.71 -0.38 5.17 0.00 -1.26 -5.01 121.76 120.69 1uw0 s ALA 109 Ca 0.24 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1uw0 s ALA 109 Cb -0.08 -1.33 0.10 0.00 0.00 0.00 0.00 23.12 21.82 1uw0 s ALA 109 CO -0.14 -1.11 0.15 0.08 0.00 0.00 0.00 175.76 174.74 1uw0 s VAL 110 N 1.52 2.97 0.02 0.00 1.01 -1.26 -5.09 120.40 119.57 1uw0 s VAL 110 Ca -0.04 -2.12 0.06 0.00 0.00 0.00 0.00 61.98 59.89 1uw0 s VAL 110 Cb -0.18 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1uw0 s VAL 110 CO -0.07 -0.64 -0.19 -0.69 0.00 0.00 0.00 175.10 173.52 1uw0 s VAL 111 N 1.07 1.48 -0.65 2.92 1.01 -1.26 -5.10 120.40 119.88 1uw0 s VAL 111 Ca 0.08 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1uw0 s VAL 111 Cb -0.22 -1.28 0.16 0.00 0.00 0.00 0.00 36.38 35.05 1uw0 s VAL 111 CO -0.05 0.23 0.45 -1.10 0.00 0.00 0.00 175.10 174.63 1uw0 s GLN 112 N -0.92 2.53 -0.01 2.72 -1.52 -1.26 -5.07 119.66 116.14 1uw0 s GLN 112 Ca 0.06 -2.74 0.06 0.00 -1.95 0.00 0.00 55.36 50.79 1uw0 s GLN 112 Cb -0.08 -3.65 -0.02 0.00 -0.22 0.00 0.00 33.01 29.05 1uw0 s GLN 112 CO 0.01 -1.18 -0.19 0.00 -0.25 0.00 0.00 175.29 173.68 1uw0 s ALA 113 N -0.44 1.58 -0.31 6.09 0.00 -1.26 -5.12 121.76 122.31 1uw0 s ALA 113 Ca 0.19 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1uw0 s ALA 113 Cb -0.18 -0.39 0.07 0.00 0.00 0.00 0.00 23.12 22.61 1uw0 s ALA 113 CO -0.05 0.38 -0.00 0.21 0.00 0.00 0.00 175.76 176.30 1uw0 s LYS 114 N -0.51 2.16 -0.24 0.00 2.20 -1.26 -5.07 119.74 117.01 1uw0 s LYS 114 Ca 0.07 -1.46 0.01 0.00 -0.36 0.00 0.00 55.97 54.23 1uw0 s LYS 114 Cb -0.07 -3.14 0.06 0.00 -1.51 0.00 0.00 37.83 33.17 1uw0 s LYS 114 CO -0.01 -0.71 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.07 1uw0 s LEU 115 N 1.13 2.66 0.09 5.43 0.20 -1.26 -5.12 118.68 121.81 1uw0 s LEU 115 Ca -0.02 -1.26 0.09 0.00 0.69 0.00 0.00 54.13 53.64 1uw0 s LEU 115 Cb -0.20 -1.18 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1uw0 s LEU 115 CO -0.04 -0.26 -0.25 -0.89 -0.29 0.00 0.00 176.35 174.63 1uw0 s THR 116 N 1.39 2.04 -0.18 3.68 2.01 -1.26 -5.36 115.64 117.96 1uw0 s THR 116 Ca -0.04 -1.52 0.01 0.00 0.31 0.00 0.00 61.69 60.45 1uw0 s THR 116 Cb -0.19 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.54 1uw0 s THR 116 CO -0.07 0.17 0.55 0.35 -0.69 0.00 0.00 174.62 174.92