#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw0 s ALA 2 N 0.00 3.20 -0.10 -5.12 0.00 -1.26 -5.08 121.76 113.40 1uw0 s ALA 2 Ca 0.00 -2.87 0.03 0.00 0.00 0.00 0.00 51.96 49.12 1uw0 s ALA 2 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1uw0 s ALA 2 CO 0.00 -1.88 -0.20 -2.00 0.00 0.00 0.00 175.76 171.68 1uw0 s GLU 3 N 0.46 3.07 -0.03 0.00 2.12 -1.26 -5.12 118.70 117.94 1uw0 s GLU 3 Ca 0.13 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.64 1uw0 s GLU 3 Cb -0.22 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.79 1uw0 s GLU 3 CO -0.04 0.25 0.06 -0.65 -0.54 0.00 0.00 175.26 174.34 1uw0 s GLN 4 N 0.21 0.03 -0.07 4.30 -0.21 -1.26 -4.79 119.66 117.87 1uw0 s GLN 4 Ca -0.12 0.15 0.04 0.00 0.02 0.00 0.00 55.36 55.45 1uw0 s GLN 4 Cb -0.16 -0.09 0.00 0.00 1.00 0.00 0.00 33.01 33.76 1uw0 s GLN 4 CO 0.07 -0.08 -0.18 0.50 -2.12 0.00 0.00 175.29 173.47 1uw0 s ARG 5 N 0.52 2.24 -0.04 2.91 3.52 -1.22 -5.04 118.95 121.85 1uw0 s ARG 5 Ca -0.04 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 54.96 1uw0 s ARG 5 Cb -0.06 -1.80 -0.01 0.00 -1.56 0.00 0.00 34.95 31.53 1uw0 s ARG 5 CO -0.02 0.15 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.38 1uw0 s PHE 6 N 0.35 1.79 0.31 5.12 0.08 -1.26 -0.99 117.98 123.38 1uw0 s PHE 6 Ca -0.13 -0.46 0.09 0.00 0.12 0.00 0.00 56.93 56.55 1uw0 s PHE 6 Cb -0.15 -1.18 -0.06 0.00 -0.57 0.00 0.00 43.02 41.05 1uw0 s PHE 6 CO 0.05 -0.13 -0.10 0.00 -0.10 0.00 0.00 175.22 174.94 1uw0 s VAL 8 N -2.73 0.91 0.04 0.00 -7.23 0.68 0.04 120.40 112.12 1uw0 s VAL 8 Ca 0.31 -0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1uw0 s VAL 8 Cb 0.02 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1uw0 s VAL 8 CO 0.15 0.28 -0.03 -1.81 -0.31 0.00 0.00 175.10 173.38 1uw0 s ASP 9 N 0.24 0.46 0.19 4.85 1.01 0.18 -4.23 116.67 119.36 1uw0 s ASP 9 Ca -0.05 -0.84 0.06 0.00 0.71 0.00 0.00 52.55 52.43 1uw0 s ASP 9 Cb -0.10 0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 1uw0 s ASP 9 CO 0.01 -0.49 0.14 -0.31 0.21 0.00 0.00 175.17 174.73 1uw0 s TYR 10 N -3.09 3.12 -0.48 4.23 2.02 -1.26 0.10 117.35 122.00 1uw0 s TYR 10 Ca -0.00 -0.05 -0.13 0.00 -0.37 0.00 0.00 57.07 56.52 1uw0 s TYR 10 Cb 0.02 -1.48 0.10 0.00 -0.40 0.00 0.00 41.96 40.20 1uw0 s TYR 10 CO -0.07 0.52 0.38 0.00 -1.57 0.00 0.00 175.55 174.81 1uw0 s ALA 11 N -1.84 3.48 -0.01 3.71 0.00 0.57 -4.84 121.76 122.83 1uw0 s ALA 11 Ca 0.31 -2.32 -0.04 0.00 0.00 0.00 0.00 51.96 49.91 1uw0 s ALA 11 Cb -0.09 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1uw0 s ALA 11 CO 0.24 -1.82 -0.09 1.63 0.00 0.00 0.00 175.76 175.72 1uw0 n LYS 12 N 5.08 0.13 -3.77 0.00 5.02 -1.26 -1.39 118.16 121.98 1uw0 n LYS 12 Ca -0.11 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.90 1uw0 n LYS 12 Cb 0.42 -0.73 -0.10 0.00 -0.02 0.00 0.00 35.03 34.60 1uw0 n LYS 12 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1uw0 s ARG 13 N -2.18 2.75 0.00 1.97 6.06 -1.26 -4.56 118.95 121.73 1uw0 s ARG 13 Ca -0.08 -3.10 0.00 0.00 -2.50 0.00 0.00 55.73 50.05 1uw0 s ARG 13 Cb 0.02 -3.68 0.00 0.00 0.06 0.00 0.00 34.95 31.35 1uw0 s ARG 13 CO 0.11 -1.24 0.00 0.41 -2.50 0.00 0.00 175.30 172.08 1uw0 n GLY 14 N 2.51 2.99 3.02 8.12 0.00 -1.26 -5.14 105.19 115.43 1uw0 n GLY 14 Ca 0.17 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 1uw0 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uw0 s THR 15 N -1.96 0.01 0.05 2.61 -1.32 -1.26 -4.53 115.64 109.25 1uw0 s THR 15 Ca 0.00 -0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.47 1uw0 s THR 15 Cb 0.00 -0.22 -0.02 0.00 -1.51 0.00 0.00 72.50 70.74 1uw0 s THR 15 CO 0.00 -0.03 -0.14 0.00 -2.21 0.00 0.00 174.62 172.23 1uw0 s ALA 16 N -0.05 1.20 -0.16 11.08 0.00 -0.92 -4.85 121.76 128.06 1uw0 s ALA 16 Ca -0.01 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 1uw0 s ALA 16 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1uw0 s ALA 16 CO 0.00 0.21 1.10 0.20 0.00 0.00 0.00 175.76 177.27 1uw0 s GLY 17 N -1.38 1.90 0.06 0.00 0.00 -1.26 0.11 107.32 106.76 1uw0 s GLY 17 Ca 0.01 0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.76 1uw0 s GLY 17 CO 0.02 2.19 1.67 0.00 0.00 0.00 0.00 173.10 176.98 1uw0 s LYS 19 N 2.81 2.85 -0.97 0.00 -0.14 -0.83 -3.32 119.74 120.14 1uw0 s LYS 19 Ca 0.75 2.10 -0.10 0.00 -1.36 0.00 0.00 55.97 57.36 1uw0 s LYS 19 Cb -0.40 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 33.71 1uw0 s LYS 19 CO 0.33 -1.38 0.76 1.63 -0.76 0.00 0.00 175.35 175.93 1uw0 n LYS 20 N -1.51 -1.47 0.00 1.68 5.02 -1.26 -4.82 118.16 115.81 1uw0 n LYS 20 Ca 0.13 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1uw0 n LYS 20 Cb 0.47 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 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 -1.44 -3.69 -1.96 0.00 4.81 -1.24 -5.03 118.16 109.61 1uw0 n LYS 22 Ca 0.00 0.42 -0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1uw0 n LYS 22 Cb 0.00 -4.18 -0.00 0.00 0.02 0.00 0.00 35.03 30.87 1uw0 n LYS 22 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1uw0 n GLU 23 N -2.66 0.00 -4.29 1.64 2.13 -1.26 -5.03 120.64 111.17 1uw0 n GLU 23 Ca -0.06 -0.02 -0.19 0.00 0.66 0.00 0.00 57.16 57.55 1uw0 n GLU 23 Cb 0.55 0.02 -0.11 0.00 0.27 0.00 0.00 31.44 32.17 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 -2.01 1.16 -0.31 5.31 1.02 -1.26 -2.76 119.74 120.90 1uw0 s LYS 24 Ca 0.00 -1.37 0.04 0.00 0.02 0.00 0.00 55.97 54.66 1uw0 s LYS 24 Cb 0.00 -1.06 0.08 0.00 -0.52 0.00 0.00 37.83 36.33 1uw0 s LYS 24 CO 0.00 0.20 -0.02 0.42 -0.92 0.00 0.00 175.35 175.04 1uw0 s ILE 25 N -2.32 2.22 -0.14 2.17 1.01 0.30 -4.77 121.20 119.67 1uw0 s ILE 25 Ca 0.14 -2.04 -0.29 0.00 0.00 0.00 0.00 60.65 58.45 1uw0 s ILE 25 Cb -0.04 -2.51 0.09 0.00 0.01 0.00 0.00 42.46 40.01 1uw0 s ILE 25 CO 0.05 -0.36 0.83 0.54 0.00 0.00 0.00 174.94 176.00 1uw0 s VAL 26 N 0.99 0.00 -0.09 2.92 0.11 -1.26 -2.17 120.40 120.90 1uw0 s VAL 26 Ca 0.03 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.01 1uw0 s VAL 26 Cb -0.19 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.68 1uw0 s VAL 26 CO -0.07 0.00 0.13 0.29 -3.33 0.00 0.00 175.10 172.12 1uw0 n LYS 27 N 1.22 -3.67 -1.01 1.54 5.02 -0.48 -4.19 118.16 116.58 1uw0 n LYS 27 Ca -0.15 2.78 -0.01 0.00 -2.02 0.00 0.00 58.31 58.92 1uw0 n LYS 27 Cb 0.57 -3.73 -0.00 0.00 -0.02 0.00 0.00 35.03 31.84 1uw0 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uw0 n GLY 28 N 1.95 0.44 3.23 0.72 0.00 -1.25 -5.02 105.19 105.26 1uw0 n GLY 28 Ca -0.22 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.85 1.87 -0.07 1.61 1.01 -1.26 -5.02 120.40 116.69 1uw0 s VAL 29 Ca 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1uw0 s VAL 29 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1uw0 s VAL 29 CO 0.00 0.52 0.03 0.00 0.00 0.00 0.00 175.10 175.65 1uw0 s ARG 31 N -1.08 1.60 -0.10 0.00 1.70 0.29 -4.06 118.95 117.29 1uw0 s ARG 31 Ca 0.15 -1.03 -0.02 0.00 -0.47 0.00 0.00 55.73 54.36 1uw0 s ARG 31 Cb -0.12 -1.75 -0.03 0.00 -0.57 0.00 0.00 34.95 32.48 1uw0 s ARG 31 CO 0.05 0.45 -0.00 0.42 -1.08 0.00 0.00 175.30 175.14 1uw0 s ILE 32 N -0.80 4.26 -0.19 4.99 1.01 -1.21 0.52 121.20 129.77 1uw0 s ILE 32 Ca 0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 1uw0 s ILE 32 Cb -0.09 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1uw0 s ILE 32 CO 0.02 0.58 0.06 -0.83 0.00 0.00 0.00 174.94 174.76 1uw0 s GLY 33 N -0.57 1.87 -0.24 6.18 0.00 0.11 -2.41 107.32 112.26 1uw0 s GLY 33 Ca 0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 43.96 1uw0 s GLY 33 CO 0.02 0.13 -0.02 1.25 0.00 0.00 0.00 173.10 174.48 1uw0 s LYS 34 N 0.59 3.16 -0.42 2.90 2.20 -1.16 0.88 119.74 127.89 1uw0 s LYS 34 Ca 0.03 -0.78 -0.15 0.00 -0.36 0.00 0.00 55.97 54.72 1uw0 s LYS 34 Cb -0.13 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1uw0 s LYS 34 CO 0.01 -0.31 0.31 0.08 -0.36 0.00 0.00 175.35 175.08 1uw0 s VAL 35 N 1.44 5.17 -0.14 4.02 1.01 -0.16 -3.61 120.40 128.12 1uw0 s VAL 35 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1uw0 s VAL 35 Cb -0.16 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1uw0 s VAL 35 CO -0.03 -0.36 -0.21 -0.69 0.00 0.00 0.00 175.10 173.82 1uw0 s VAL 36 N 1.66 1.97 0.35 2.92 1.01 -1.04 -3.37 120.40 123.90 1uw0 s VAL 36 Ca 0.04 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 1uw0 s VAL 36 Cb -0.20 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 1uw0 s VAL 36 CO 0.09 0.53 1.12 -2.16 0.00 0.00 0.00 175.10 174.69 1uw0 s PRO 37 N 0.91 4.34 0.15 2.72 0.04 -1.26 -2.75 135.00 139.14 1uw0 s PRO 37 Ca -0.05 1.78 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1uw0 s PRO 37 Cb -0.15 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 1uw0 s PRO 37 CO -0.03 -0.05 0.18 -0.80 0.04 0.00 0.00 177.00 176.34 1uw0 s ASN 38 N -1.08 5.84 -1.01 6.66 -0.87 -1.16 -4.99 114.94 118.32 1uw0 s ASN 38 Ca 0.52 0.00 -0.19 0.00 -1.57 0.00 0.00 52.86 51.61 1uw0 s ASN 38 Cb -0.30 -1.63 -0.09 0.00 -0.02 0.00 0.00 41.25 39.21 1uw0 s ASN 38 CO 0.38 0.08 2.03 -0.81 -2.57 0.00 0.00 177.10 176.21 1uw0 n PRO 39 N -0.31 1.97 0.18 -0.60 -0.04 -1.26 -3.96 135.00 130.98 1uw0 n PRO 39 Ca -0.08 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1uw0 n PRO 39 Cb 0.54 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 7.05 -3.69 -4.26 0.54 -0.00 -1.26 -5.14 117.46 110.71 1uw0 n PHE 40 Ca 0.50 1.07 -0.25 0.00 -0.00 0.00 0.00 57.45 58.77 1uw0 n PHE 40 Cb 0.40 2.55 -0.08 0.00 -0.00 0.00 0.00 39.48 42.36 1uw0 n PHE 40 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1uw0 s SER 41 N -3.06 4.57 -0.26 -2.13 0.15 -1.25 -5.06 113.70 106.65 1uw0 s SER 41 Ca 0.00 -0.54 -0.10 0.00 0.70 0.00 0.00 55.95 56.01 1uw0 s SER 41 Cb 0.00 -0.88 -0.12 0.00 -1.71 0.00 0.00 66.02 63.31 1uw0 s SER 41 CO 0.00 0.05 -0.31 -0.62 1.20 0.00 0.00 173.24 173.56 1uw0 n GLU 42 N -0.41 0.56 0.03 5.44 4.71 -1.26 -4.27 120.64 125.43 1uw0 n GLU 42 Ca -0.09 0.22 -0.22 0.00 -0.01 0.00 0.00 57.16 57.07 1uw0 n GLU 42 Cb 0.57 -1.44 -0.14 0.00 -1.01 0.00 0.00 31.44 29.42 1uw0 n GLU 42 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1uw0 h SER 43 N -0.75 0.47 -2.40 1.62 4.64 -2.01 -3.40 113.55 111.72 1uw0 h SER 43 Ca -0.64 -0.94 -0.69 0.00 -0.47 0.00 0.00 61.79 59.05 1uw0 h SER 43 Cb 1.63 -0.15 -0.36 0.00 -0.31 0.00 0.00 62.40 63.21 1uw0 h SER 43 CO -0.34 1.83 0.02 0.61 -0.87 0.00 0.00 176.83 178.09 1uw0 n GLY 44 N 1.95 5.34 2.34 -0.77 0.00 -1.26 -4.87 105.19 107.92 1uw0 n GLY 44 Ca -0.30 -2.72 -0.22 0.00 0.00 0.00 0.00 46.02 42.79 1uw0 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uw0 n GLY 45 N 0.54 2.16 3.07 -0.02 0.00 -1.26 -4.66 105.19 105.01 1uw0 n GLY 45 Ca 0.32 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1uw0 n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uw0 s ASP 46 N -0.89 -0.23 -0.01 1.61 1.01 -1.26 -2.96 116.67 113.94 1uw0 s ASP 46 Ca 0.34 0.47 0.07 0.00 0.71 0.00 0.00 52.55 54.13 1uw0 s ASP 46 Cb 0.14 0.41 -0.03 0.00 1.01 0.00 0.00 42.92 44.46 1uw0 s ASP 46 CO -0.15 -0.12 -0.21 -0.04 0.21 0.00 0.00 175.17 174.86 1uw0 s MET 47 N 0.67 2.17 -0.07 8.23 -1.94 -1.11 -4.94 119.30 122.31 1uw0 s MET 47 Ca -0.05 -0.90 0.01 0.00 -1.71 0.00 0.00 55.69 53.05 1uw0 s MET 47 Cb -0.06 -2.16 0.02 0.00 2.01 0.00 0.00 34.83 34.64 1uw0 s MET 47 CO -0.04 0.57 -0.09 0.21 -0.01 0.00 0.00 175.02 175.66 1uw0 s LYS 48 N -0.88 1.43 0.15 2.03 2.20 -1.25 -2.48 119.74 120.93 1uw0 s LYS 48 Ca 0.11 -0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.52 1uw0 s LYS 48 Cb -0.10 -1.29 -0.04 0.00 -1.51 0.00 0.00 37.83 34.89 1uw0 s LYS 48 CO 0.01 -0.06 -0.19 -1.21 -0.36 0.00 0.00 175.35 173.53 1uw0 s GLU 49 N 0.96 1.23 -0.17 4.03 2.02 -1.24 -4.89 118.70 120.64 1uw0 s GLU 49 Ca -0.09 -1.33 -0.06 0.00 0.02 0.00 0.00 54.97 53.50 1uw0 s GLU 49 Cb -0.15 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.69 1uw0 s GLU 49 CO 0.00 0.29 0.02 -1.58 0.02 0.00 0.00 175.26 174.01 1uw0 s TRP 50 N -1.76 3.15 0.52 1.61 0.23 -1.26 -2.96 118.94 118.47 1uw0 s TRP 50 Ca 0.13 -0.10 0.05 0.00 -2.03 0.00 0.00 56.10 54.15 1uw0 s TRP 50 Cb -0.07 -2.03 0.01 0.00 0.03 0.00 0.00 33.47 31.41 1uw0 s TRP 50 CO 0.06 0.06 0.29 0.71 0.96 0.00 0.00 176.95 179.03 1uw0 s TYR 51 N 0.40 1.84 0.05 -1.98 1.51 -1.01 -1.95 117.35 116.21 1uw0 s TYR 51 Ca 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.24 1uw0 s TYR 51 Cb -0.13 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1uw0 s TYR 51 CO 0.01 -0.23 0.07 0.72 -1.11 0.00 0.00 175.55 175.01 1uw0 n HIS 52 N -1.58 -3.23 -0.01 2.71 8.25 -1.26 -3.29 115.22 116.80 1uw0 n HIS 52 Ca -0.05 -0.13 -0.22 0.00 -0.26 0.00 0.00 57.72 57.06 1uw0 n HIS 52 Cb 0.65 -0.05 -0.13 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.27 0.86 0.00 1.59 1.08 -2.00 -3.27 117.51 115.49 1uw0 h ILE 53 Ca -0.02 -2.34 -0.05 0.00 -0.39 0.00 0.00 64.86 62.06 1uw0 h ILE 53 Cb 0.09 2.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 1uw0 h ILE 53 CO 0.03 0.70 -0.77 0.07 -0.69 0.00 0.00 178.15 177.48 1uw0 h LYS 54 N -0.30 0.00 -0.02 2.37 2.10 -1.96 -3.04 116.57 115.71 1uw0 h LYS 54 Ca -0.36 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.13 1uw0 h LYS 54 Cb 1.77 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.12 1uw0 h LYS 54 CO 0.02 0.13 -0.63 0.00 -2.00 0.00 0.00 179.45 176.97 1uw0 h MET 56 N -0.01 0.75 -0.00 0.00 1.85 -1.71 -2.80 114.93 113.01 1uw0 h MET 56 Ca -0.07 -0.62 -0.14 0.00 -0.61 0.00 0.00 59.70 58.26 1uw0 h MET 56 Cb 1.32 0.13 -0.02 0.00 0.43 0.00 0.00 31.60 33.46 1uw0 h MET 56 CO 0.12 1.23 -0.67 0.74 -0.40 0.00 0.00 176.91 177.93 1uw0 h PHE 57 N 0.50 0.02 -0.37 1.39 0.04 -1.62 -3.08 116.94 113.83 1uw0 h PHE 57 Ca -0.05 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.60 1uw0 h PHE 57 Cb 1.41 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 1uw0 h PHE 57 CO 0.08 0.68 -0.21 1.49 -0.60 0.00 0.00 178.31 179.75 1uw0 h GLU 58 N 0.01 0.71 -0.89 1.51 4.81 -0.95 -2.76 114.58 117.02 1uw0 h GLU 58 Ca -0.01 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1uw0 h GLU 58 Cb 1.18 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1uw0 h GLU 58 CO 0.09 0.86 0.59 0.87 -0.73 0.00 0.00 179.01 180.69 1uw0 h LYS 59 N 0.63 1.06 -0.48 1.92 1.79 -1.40 -0.83 116.57 119.25 1uw0 h LYS 59 Ca 0.09 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 1uw0 h LYS 59 Cb 0.69 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1uw0 h LYS 59 CO 0.05 0.70 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.96 1uw0 h LEU 60 N 1.09 0.91 -1.04 2.94 4.07 -1.52 0.43 115.31 122.19 1uw0 h LEU 60 Ca 0.36 -0.35 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 1uw0 h LEU 60 Cb 0.06 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1uw0 h LEU 60 CO -0.11 1.05 -0.26 -0.08 -1.08 0.00 0.00 178.44 177.96 1uw0 h GLU 61 N 0.76 0.38 0.10 1.13 4.81 -1.12 -3.18 114.58 117.46 1uw0 h GLU 61 Ca 0.12 -0.14 -0.32 0.00 -0.13 0.00 0.00 59.36 58.90 1uw0 h GLU 61 Cb 0.64 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1uw0 h GLU 61 CO 0.04 0.61 -1.66 -0.09 -0.73 0.00 0.00 179.01 177.18 1uw0 h ARG 62 N 0.34 0.22 -5.25 1.92 2.43 -1.01 -3.45 114.38 109.57 1uw0 h ARG 62 Ca 0.05 -0.37 -0.65 0.00 -0.81 0.00 0.00 59.98 58.19 1uw0 h ARG 62 Cb 0.63 0.14 -0.27 0.00 -0.42 0.00 0.00 29.97 30.06 1uw0 h ARG 62 CO 0.05 1.04 -0.75 0.00 -1.51 0.00 0.00 179.97 178.80 1uw0 s ALA 63 N -2.60 2.69 -0.40 2.80 0.00 0.15 -5.08 121.76 119.31 1uw0 s ALA 63 Ca -0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 1uw0 s ALA 63 Cb 0.07 -1.34 0.10 0.00 0.00 0.00 0.00 23.12 21.96 1uw0 s ALA 63 CO 0.83 0.11 0.20 1.03 0.00 0.00 0.00 175.76 177.93 1uw0 s ARG 64 N 0.57 2.10 0.00 0.00 0.52 -1.26 -4.34 118.95 116.53 1uw0 s ARG 64 Ca -0.07 -1.74 0.21 0.00 -0.52 0.00 0.00 55.73 53.61 1uw0 s ARG 64 Cb -0.15 -3.58 0.74 0.00 0.52 0.00 0.00 34.95 32.48 1uw0 s ARG 64 CO 0.03 -1.03 1.55 0.00 0.02 0.00 0.00 175.30 175.87 1uw0 n ALA 65 N 4.63 2.52 -3.29 2.13 0.00 -1.26 -4.93 120.51 120.31 1uw0 n ALA 65 Ca -0.04 -0.55 -0.24 0.00 0.00 0.00 0.00 53.44 52.62 1uw0 n ALA 65 Cb 0.42 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.82 1uw0 n ALA 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1uw0 n THR 66 N 0.39 -1.82 -4.41 0.00 -1.04 -1.26 -4.98 114.28 101.16 1uw0 n THR 66 Ca 0.16 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.93 1uw0 n THR 66 Cb 0.35 -2.97 -0.09 0.00 -1.82 0.00 0.00 70.33 65.79 1uw0 n THR 66 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1uw0 s THR 67 N -3.14 2.70 -0.71 12.58 2.01 -1.26 -5.09 115.64 122.74 1uw0 s THR 67 Ca 0.41 -2.18 -0.16 0.00 0.31 0.00 0.00 61.69 60.07 1uw0 s THR 67 Cb -0.19 -2.58 0.16 0.00 0.01 0.00 0.00 72.50 69.90 1uw0 s THR 67 CO 0.50 -0.32 0.73 -0.75 -0.69 0.00 0.00 174.62 174.09 1uw0 s LYS 68 N -3.61 3.31 -0.05 4.92 2.47 -1.26 -5.03 119.74 120.50 1uw0 s LYS 68 Ca 0.32 -1.90 0.05 0.00 -1.56 0.00 0.00 55.97 52.87 1uw0 s LYS 68 Cb -0.03 -4.42 -0.01 0.00 -1.46 0.00 0.00 37.83 31.91 1uw0 s LYS 68 CO 0.17 -1.42 -0.20 0.15 0.16 0.00 0.00 175.35 174.20 1uw0 s LYS 69 N 1.47 2.12 -0.16 4.03 1.02 -1.26 -4.93 119.74 122.02 1uw0 s LYS 69 Ca 0.14 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.37 1uw0 s LYS 69 Cb -0.18 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1uw0 s LYS 69 CO -0.02 0.29 0.08 -0.89 -0.92 0.00 0.00 175.35 173.89 1uw0 n ILE 70 N 3.09 -8.63 -4.92 2.17 5.41 -1.26 -5.00 119.36 110.22 1uw0 n ILE 70 Ca -0.18 1.59 -0.33 0.00 1.00 0.00 0.00 62.75 64.84 1uw0 n ILE 70 Cb 0.53 -5.35 -0.14 0.00 -0.71 0.00 0.00 39.64 33.96 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 -0.95 2.84 1.67 0.38 2.02 -1.26 -5.04 118.70 118.35 1uw0 s GLU 71 Ca -0.09 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1uw0 s GLU 71 Cb 0.01 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1uw0 s GLU 71 CO 0.51 0.43 0.00 -3.47 0.02 0.00 0.00 175.26 172.75 1uw0 n ASP 72 N 2.88 -3.08 -0.11 -0.19 -0.08 -1.26 -4.39 116.55 110.32 1uw0 n ASP 72 Ca -0.18 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.88 1uw0 n ASP 72 Cb 0.52 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.90 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 1.86 -3.69 -2.67 0.00 -1.26 -4.67 117.00 106.56 1uw0 n LEU 73 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 56.01 55.79 1uw0 n LEU 73 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 43.42 42.73 1uw0 n LEU 73 CO 0.00 0.55 2.61 0.35 0.00 0.00 0.00 177.39 180.90 1uw0 n THR 74 N -3.85 3.19 0.14 1.96 -2.24 -1.26 -4.11 114.28 108.11 1uw0 n THR 74 Ca -0.44 -2.74 0.00 0.00 -2.27 0.00 0.00 64.05 58.60 1uw0 n THR 74 Cb 0.83 -2.56 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 1uw0 n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1uw0 n GLU 75 N 6.16 0.00 -1.70 -0.78 2.13 -1.26 -5.10 120.64 120.09 1uw0 n GLU 75 Ca 0.52 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.99 1uw0 n GLU 75 Cb 0.39 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.16 1uw0 n GLU 75 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1uw0 s LEU 76 N -6.72 3.50 -0.03 4.31 1.43 -1.26 -4.95 118.68 114.97 1uw0 s LEU 76 Ca 0.00 2.46 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 1uw0 s LEU 76 Cb 0.00 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.59 1uw0 s LEU 76 CO 0.00 -1.99 0.99 -0.70 0.23 0.00 0.00 176.35 174.88 1uw0 s GLU 77 N -3.57 4.52 0.00 1.70 2.12 -1.24 -4.24 118.70 118.00 1uw0 s GLU 77 Ca 0.78 1.42 0.00 0.00 0.36 0.00 0.00 54.97 57.53 1uw0 s GLU 77 Cb -0.32 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1uw0 s GLU 77 CO 0.40 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.41 1uw0 n GLY 78 N 2.95 3.62 0.45 -1.50 0.00 -1.26 -0.23 105.19 109.22 1uw0 n GLY 78 Ca 0.07 -0.55 0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 0.06 -0.49 1.61 5.08 -1.76 -0.55 115.95 119.89 1uw0 h TRP 79 Ca 0.00 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.12 1uw0 h TRP 79 Cb 0.00 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 26.12 1uw0 h TRP 79 CO 0.00 0.01 0.42 1.49 -1.28 0.00 0.00 178.44 179.09 1uw0 h GLU 80 N 0.04 0.00 -0.36 0.12 4.57 -1.93 -1.53 114.58 115.49 1uw0 h GLU 80 Ca 0.40 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.43 1uw0 h GLU 80 Cb 1.55 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 30.05 1uw0 h GLU 80 CO -0.02 0.00 -0.01 0.39 -1.18 0.00 0.00 179.01 178.18 1uw0 n GLU 81 N -4.05 2.15 -0.62 1.92 -0.58 -0.22 -5.01 120.64 114.24 1uw0 n GLU 81 Ca 0.09 -3.08 0.00 0.00 -0.42 0.00 0.00 57.16 53.75 1uw0 n GLU 81 Cb 0.63 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1uw0 n GLU 81 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1uw0 n LEU 82 N -0.97 0.00 -4.95 -4.62 4.77 -0.58 -5.03 117.00 105.62 1uw0 n LEU 82 Ca 0.31 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.07 1uw0 n LEU 82 Cb 1.03 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1uw0 n LEU 82 CO 0.20 -0.12 0.18 -1.61 -1.33 0.00 0.00 177.39 174.71 1uw0 s GLU 83 N 0.36 3.32 -0.06 3.23 8.01 -1.26 -5.03 118.70 127.26 1uw0 s GLU 83 Ca 0.00 -0.48 -0.25 0.00 0.01 0.00 0.00 54.97 54.25 1uw0 s GLU 83 Cb 0.00 -2.66 -0.24 0.00 -4.31 0.00 0.00 34.13 26.92 1uw0 s GLU 83 CO 0.00 0.03 0.99 -0.44 0.01 0.00 0.00 175.26 175.85 1uw0 h ASP 84 N 0.69 0.19 -0.83 -0.19 3.32 -2.00 -2.89 116.42 114.71 1uw0 h ASP 84 Ca -0.48 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 55.76 1uw0 h ASP 84 Cb 1.23 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1uw0 h ASP 84 CO 0.59 0.97 0.53 0.78 -1.72 0.00 0.00 179.24 180.40 1uw0 h ASN 85 N -0.57 0.97 -1.01 6.45 4.21 -2.01 -2.04 115.58 121.58 1uw0 h ASN 85 Ca -0.03 -0.04 0.02 0.00 1.21 0.00 0.00 56.30 57.46 1uw0 h ASN 85 Cb 1.01 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 37.92 1uw0 h ASN 85 CO 0.05 0.72 0.67 -0.33 -1.29 0.00 0.00 177.43 177.24 1uw0 h GLU 86 N 1.13 1.29 -0.96 0.81 5.08 -1.98 -1.87 114.58 118.08 1uw0 h GLU 86 Ca 0.30 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.67 1uw0 h GLU 86 Cb -0.10 -0.29 -0.07 0.00 0.50 0.00 0.00 28.75 28.79 1uw0 h GLU 86 CO -0.06 0.85 0.62 -0.22 -1.00 0.00 0.00 179.01 179.20 1uw0 h LYS 87 N 1.33 1.01 -0.84 2.33 3.64 -1.14 -0.94 116.57 121.95 1uw0 h LYS 87 Ca 0.38 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.76 1uw0 h LYS 87 Cb -0.09 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.45 1uw0 h LYS 87 CO -0.10 0.67 0.55 1.49 -2.27 0.00 0.00 179.45 179.79 1uw0 h GLU 88 N 1.04 0.94 -0.14 1.90 4.81 -1.18 -1.11 114.58 120.84 1uw0 h GLU 88 Ca 0.43 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.48 1uw0 h GLU 88 Cb 0.31 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1uw0 h GLU 88 CO -0.19 0.62 -0.47 1.96 -0.73 0.00 0.00 179.01 180.20 1uw0 h GLN 89 N 0.97 0.35 -0.30 1.92 4.20 -1.16 -2.65 115.11 118.43 1uw0 h GLN 89 Ca 0.35 -0.19 -0.16 0.00 0.06 0.00 0.00 58.65 58.71 1uw0 h GLN 89 Cb 0.16 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1uw0 h GLN 89 CO -0.12 0.75 -0.46 0.82 -0.67 0.00 0.00 178.83 179.15 1uw0 h ILE 90 N 0.28 1.28 -0.11 2.54 2.04 -0.84 -2.08 117.51 120.63 1uw0 h ILE 90 Ca 0.02 -1.65 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 1uw0 h ILE 90 Cb 0.94 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1uw0 h ILE 90 CO 0.08 0.54 -0.42 0.00 0.00 0.00 0.00 178.15 178.35 1uw0 h THR 91 N 0.64 1.31 -0.27 -0.27 1.03 -1.21 -2.80 112.91 111.34 1uw0 h THR 91 Ca 0.04 -1.53 -0.19 0.00 -0.01 0.00 0.00 66.41 64.71 1uw0 h THR 91 Cb 1.03 1.70 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 1uw0 h THR 91 CO 0.10 0.46 -0.58 -0.61 -0.01 0.00 0.00 175.52 174.88 1uw0 h GLN 92 N 0.20 0.87 -0.70 0.00 -0.00 -1.38 -2.28 115.11 111.82 1uw0 h GLN 92 Ca 0.02 -0.57 0.07 0.00 -0.00 0.00 0.00 58.65 58.16 1uw0 h GLN 92 Cb 0.82 0.08 -0.06 0.00 0.00 0.00 0.00 27.48 28.32 1uw0 h GLN 92 CO 0.06 1.20 0.38 1.25 0.00 0.00 0.00 178.83 181.73 1uw0 h HIS 93 N 0.66 0.70 -0.49 3.99 2.76 -1.20 0.47 115.15 122.04 1uw0 h HIS 93 Ca 0.01 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.07 1uw0 h HIS 93 Cb 1.19 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 1uw0 h HIS 93 CO 0.07 0.32 -0.19 0.82 -1.30 0.00 0.00 177.93 177.65 1uw0 h ILE 94 N 0.69 1.27 -0.81 6.26 2.04 -1.45 -2.81 117.51 122.70 1uw0 h ILE 94 Ca 0.32 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 1uw0 h ILE 94 Cb 0.23 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1uw0 h ILE 94 CO -0.20 0.47 0.49 0.00 0.00 0.00 0.00 178.15 178.91 1uw0 h ALA 95 N 0.91 1.34 -0.76 1.87 0.00 -0.67 -1.74 119.26 120.20 1uw0 h ALA 95 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1uw0 h ALA 95 Cb 0.77 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1uw0 h ALA 95 CO 0.06 0.57 0.49 0.22 0.00 0.00 0.00 179.25 180.59 1uw0 h ASP 96 N 1.12 0.89 -0.24 0.00 3.58 -0.70 -2.03 116.42 119.04 1uw0 h ASP 96 Ca 0.29 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 1uw0 h ASP 96 Cb -0.05 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1uw0 h ASP 96 CO -0.06 0.66 -0.12 0.25 -2.88 0.00 0.00 179.24 177.10 1uw0 h LEU 97 N 1.04 0.63 -5.85 2.28 5.85 -1.21 -3.18 115.31 114.86 1uw0 h LEU 97 Ca 0.28 -0.18 -0.75 0.00 0.84 0.00 0.00 57.88 58.07 1uw0 h LEU 97 Cb -0.09 -0.17 -0.31 0.00 0.37 0.00 0.00 40.66 40.47 1uw0 h LEU 97 CO -0.06 0.77 0.61 -1.20 -0.34 0.00 0.00 178.44 178.23 1uw0 n SER 98 N -4.18 6.67 -3.12 1.25 7.64 -0.72 -4.79 113.62 116.37 1uw0 n SER 98 Ca 0.01 -3.71 -0.23 0.00 1.01 0.00 0.00 58.87 55.95 1uw0 n SER 98 Cb 0.35 -1.00 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 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 -0.17 2.52 -2.81 6.43 2.88 -1.04 -4.86 113.62 116.56 1uw0 n SER 99 Ca 0.44 -3.29 -0.00 0.00 -1.33 0.00 0.00 58.87 54.69 1uw0 n SER 99 Cb 0.30 -0.61 0.06 0.00 -0.75 0.00 0.00 64.21 63.22 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 0.28 1.67 -2.79 -1.46 5.02 -1.26 -4.91 118.16 114.71 1uw0 n LYS 100 Ca 0.27 -3.13 -0.02 0.00 -2.02 0.00 0.00 58.31 53.42 1uw0 n LYS 100 Cb 0.51 -1.27 0.06 0.00 -0.02 0.00 0.00 35.03 34.31 1uw0 n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uw0 n ALA 101 N -0.76 2.72 -3.67 7.82 0.00 -1.26 -5.07 120.51 120.29 1uw0 n ALA 101 Ca 0.03 -2.59 -0.18 0.00 0.00 0.00 0.00 53.44 50.70 1uw0 n ALA 101 Cb 0.81 -0.89 -0.16 0.00 0.00 0.00 0.00 19.45 19.21 1uw0 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uw0 s ALA 102 N -3.19 -0.06 0.36 0.00 0.00 -1.26 -5.11 121.76 112.51 1uw0 s ALA 102 Ca 0.25 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1uw0 s ALA 102 Cb 0.36 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1uw0 s ALA 102 CO -0.04 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1uw0 n GLY 103 N 5.30 -2.27 2.52 0.00 0.00 -1.26 -4.79 105.19 104.69 1uw0 n GLY 103 Ca -0.04 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 1uw0 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uw0 s THR 104 N -2.69 0.70 0.99 2.61 2.01 -1.26 -5.13 115.64 112.87 1uw0 s THR 104 Ca 0.00 -2.46 -0.13 0.00 0.31 0.00 0.00 61.69 59.41 1uw0 s THR 104 Cb 0.00 -1.49 0.18 0.00 0.01 0.00 0.00 72.50 71.20 1uw0 s THR 104 CO 0.00 -1.07 1.12 -2.16 -0.69 0.00 0.00 174.62 171.83 1uw0 s PRO 105 N 0.32 0.51 0.04 4.92 0.04 -1.26 -5.04 135.00 134.53 1uw0 s PRO 105 Ca 0.24 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 61.56 1uw0 s PRO 105 Cb -0.11 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1uw0 s PRO 105 CO -0.09 -2.63 -0.04 1.63 0.04 0.00 0.00 177.00 175.91 1uw0 n LYS 106 N -4.07 0.07 -5.07 4.56 5.02 -1.26 -5.05 118.16 112.36 1uw0 n LYS 106 Ca 0.07 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.07 1uw0 n LYS 106 Cb 0.59 -0.62 -0.15 0.00 -0.02 0.00 0.00 35.03 34.83 1uw0 n LYS 106 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1uw0 s LYS 107 N -2.10 2.78 -0.44 1.97 -0.14 -1.26 -5.05 119.74 115.50 1uw0 s LYS 107 Ca -0.04 -0.81 0.10 0.00 -1.36 0.00 0.00 55.97 53.86 1uw0 s LYS 107 Cb 0.01 -2.33 0.34 0.00 -1.68 0.00 0.00 37.83 34.17 1uw0 s LYS 107 CO 0.05 0.37 0.79 0.36 -0.76 0.00 0.00 175.35 176.17 1uw0 n LYS 108 N 3.00 1.71 -5.06 1.68 0.00 -1.26 -5.09 118.16 113.15 1uw0 n LYS 108 Ca -0.18 -3.87 -0.32 0.00 -0.00 0.00 0.00 58.31 53.94 1uw0 n LYS 108 Cb 0.52 -1.87 -0.15 0.00 -0.00 0.00 0.00 35.03 33.54 1uw0 n LYS 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uw0 s ALA 109 N -2.72 2.44 0.06 0.58 0.00 -1.26 -5.13 121.76 115.72 1uw0 s ALA 109 Ca 0.43 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.42 1uw0 s ALA 109 Cb 0.32 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1uw0 s ALA 109 CO -0.10 0.50 -0.14 0.54 0.00 0.00 0.00 175.76 176.56 1uw0 s VAL 110 N -0.51 1.09 -0.13 0.00 0.11 -1.26 -5.14 120.40 114.56 1uw0 s VAL 110 Ca 0.07 -1.19 -0.00 0.00 -2.93 0.00 0.00 61.98 57.93 1uw0 s VAL 110 Cb -0.11 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1uw0 s VAL 110 CO 0.01 -0.15 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.81 1uw0 s VAL 111 N -1.12 3.07 -0.07 2.04 1.01 -1.26 -5.12 120.40 118.95 1uw0 s VAL 111 Ca -0.01 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1uw0 s VAL 111 Cb -0.09 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1uw0 s VAL 111 CO 0.02 0.53 -0.20 -1.58 0.00 0.00 0.00 175.10 173.86 1uw0 s GLN 112 N 0.31 2.73 -0.12 2.72 0.74 -1.26 -5.12 119.66 119.66 1uw0 s GLN 112 Ca -0.10 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.52 1uw0 s GLN 112 Cb -0.16 -2.31 -0.01 0.00 1.10 0.00 0.00 33.01 31.63 1uw0 s GLN 112 CO 0.06 0.40 -0.19 0.00 -0.55 0.00 0.00 175.29 175.00 1uw0 s ALA 113 N -0.17 2.38 -0.06 1.58 0.00 -1.26 -5.12 121.76 119.11 1uw0 s ALA 113 Ca -0.02 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.03 1uw0 s ALA 113 Cb -0.14 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1uw0 s ALA 113 CO 0.04 0.22 -0.20 0.15 0.00 0.00 0.00 175.76 175.97 1uw0 s LYS 114 N 0.42 2.59 0.04 0.00 1.02 -1.26 -5.13 119.74 117.42 1uw0 s LYS 114 Ca -0.14 -0.81 0.08 0.00 0.02 0.00 0.00 55.97 55.12 1uw0 s LYS 114 Cb -0.17 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 1uw0 s LYS 114 CO 0.06 0.46 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.56 1uw0 s LEU 115 N -0.34 2.41 -0.28 3.17 2.96 -1.26 -5.11 118.68 120.23 1uw0 s LEU 115 Ca 0.02 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1uw0 s LEU 115 Cb -0.12 -1.41 0.06 0.00 0.50 0.00 0.00 46.19 45.22 1uw0 s LEU 115 CO 0.02 0.26 -0.06 0.42 -1.32 0.00 0.00 176.35 175.67 1uw0 s THR 116 N -0.87 2.50 -0.27 3.68 -4.23 -1.26 -5.38 115.64 109.81 1uw0 s THR 116 Ca 0.13 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 1uw0 s THR 116 Cb -0.10 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1uw0 s THR 116 CO 0.04 -0.09 0.57 0.41 -0.54 0.00 0.00 174.62 175.01