#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 3.15 -0.24 3.04 0.00 -1.26 -5.07 121.76 121.38 1uw0 s ALA 2 Ca 0.00 -2.99 0.02 0.00 0.00 0.00 0.00 51.96 48.98 1uw0 s ALA 2 Cb 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 23.12 21.08 1uw0 s ALA 2 CO 0.00 -1.89 -0.12 -2.00 0.00 0.00 0.00 175.76 171.75 1uw0 s GLU 3 N 0.17 2.49 -0.08 0.00 2.12 -1.26 -5.10 118.70 117.03 1uw0 s GLU 3 Ca 0.15 -1.19 0.02 0.00 0.36 0.00 0.00 54.97 54.31 1uw0 s GLU 3 Cb -0.23 -2.85 0.01 0.00 0.26 0.00 0.00 34.13 31.32 1uw0 s GLU 3 CO -0.03 -0.47 -0.13 -0.65 -0.54 0.00 0.00 175.26 173.43 1uw0 s GLN 4 N 1.18 1.90 -0.15 4.30 -0.21 -1.26 -4.68 119.66 120.74 1uw0 s GLN 4 Ca -0.05 -0.47 0.01 0.00 0.02 0.00 0.00 55.36 54.87 1uw0 s GLN 4 Cb -0.18 -1.58 -0.00 0.00 1.00 0.00 0.00 33.01 32.25 1uw0 s GLN 4 CO -0.06 0.01 -0.17 1.03 -2.12 0.00 0.00 175.29 173.98 1uw0 s ARG 5 N 0.76 3.20 0.02 2.91 3.00 -1.13 -5.01 118.95 122.71 1uw0 s ARG 5 Ca -0.12 -0.76 0.09 0.00 0.00 0.00 0.00 55.73 54.93 1uw0 s ARG 5 Cb -0.16 -2.58 -0.02 0.00 0.00 0.00 0.00 34.95 32.19 1uw0 s ARG 5 CO 0.02 0.05 -0.25 -0.06 0.00 0.00 0.00 175.30 175.06 1uw0 s PHE 6 N 0.71 2.24 0.11 -0.53 0.08 -1.26 0.50 117.98 119.83 1uw0 s PHE 6 Ca -0.07 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.59 1uw0 s PHE 6 Cb -0.16 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 1uw0 s PHE 6 CO 0.01 0.06 -0.08 0.00 -0.10 0.00 0.00 175.22 175.11 1uw0 s VAL 8 N -3.26 2.59 0.06 0.00 1.01 -0.85 0.72 120.40 120.67 1uw0 s VAL 8 Ca 0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1uw0 s VAL 8 Cb 0.03 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1uw0 s VAL 8 CO -0.02 0.52 0.05 -0.62 0.00 0.00 0.00 175.10 175.03 1uw0 s ASP 9 N 0.78 0.32 0.06 3.32 2.15 -0.18 -4.27 116.67 118.84 1uw0 s ASP 9 Ca -0.06 -0.79 0.03 0.00 0.43 0.00 0.00 52.55 52.16 1uw0 s ASP 9 Cb -0.15 0.24 -0.04 0.00 -0.30 0.00 0.00 42.92 42.66 1uw0 s ASP 9 CO 0.00 -0.60 0.04 -0.31 -0.17 0.00 0.00 175.17 174.13 1uw0 s TYR 10 N -3.52 3.11 0.30 -5.34 2.02 -1.26 -0.74 117.35 111.92 1uw0 s TYR 10 Ca 0.03 0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.49 1uw0 s TYR 10 Cb 0.04 -1.62 -0.11 0.00 -0.40 0.00 0.00 41.96 39.88 1uw0 s TYR 10 CO -0.09 0.50 1.54 0.00 -1.57 0.00 0.00 175.55 175.93 1uw0 s ALA 11 N -1.29 3.69 -0.02 3.71 0.00 -0.55 -4.92 121.76 122.39 1uw0 s ALA 11 Ca 0.26 1.51 -0.05 0.00 0.00 0.00 0.00 51.96 53.68 1uw0 s ALA 11 Cb -0.12 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1uw0 s ALA 11 CO 0.18 -0.93 -0.10 1.17 0.00 0.00 0.00 175.76 176.07 1uw0 n LYS 12 N 1.94 0.16 -3.69 0.00 4.81 -1.26 -4.18 118.16 115.94 1uw0 n LYS 12 Ca 0.07 0.06 -0.10 0.00 -0.87 0.00 0.00 58.31 57.47 1uw0 n LYS 12 Cb 0.38 -0.77 -0.10 0.00 0.02 0.00 0.00 35.03 34.56 1uw0 n LYS 12 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1uw0 s ARG 13 N -2.22 0.47 0.00 1.64 3.52 -1.26 -4.79 118.95 116.31 1uw0 s ARG 13 Ca -0.09 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 1uw0 s ARG 13 Cb 0.02 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1uw0 s ARG 13 CO 0.13 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1uw0 n GLY 14 N 4.14 2.48 3.33 8.12 0.00 -1.26 -5.02 105.19 116.98 1uw0 n GLY 14 Ca -0.22 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.82 2.37 -0.05 2.61 -4.23 -1.26 -4.38 115.64 107.88 1uw0 s THR 15 Ca 0.00 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.57 1uw0 s THR 15 Cb 0.00 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.97 1uw0 s THR 15 CO 0.00 0.57 -0.12 0.00 -0.54 0.00 0.00 174.62 174.53 1uw0 s ALA 16 N -0.35 1.21 -0.23 3.99 0.00 -1.07 -4.85 121.76 120.47 1uw0 s ALA 16 Ca 0.02 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.26 1uw0 s ALA 16 Cb -0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1uw0 s ALA 16 CO 0.02 0.15 2.04 0.20 0.00 0.00 0.00 175.76 178.17 1uw0 s GLY 17 N 0.46 0.72 0.79 0.00 0.00 -1.26 0.92 107.32 108.95 1uw0 s GLY 17 Ca -0.10 0.66 -0.12 0.00 0.00 0.00 0.00 44.72 45.16 1uw0 s GLY 17 CO 0.03 3.57 1.14 0.00 0.00 0.00 0.00 173.10 177.84 1uw0 s LYS 19 N -4.45 3.71 -0.98 0.00 -0.14 -1.26 -4.19 119.74 112.43 1uw0 s LYS 19 Ca 0.67 0.33 0.00 0.00 -1.36 0.00 0.00 55.97 55.61 1uw0 s LYS 19 Cb -0.22 -2.44 0.00 0.00 -1.68 0.00 0.00 37.83 33.49 1uw0 s LYS 19 CO 0.52 -0.01 0.00 1.17 -0.76 0.00 0.00 175.35 176.27 1uw0 n LYS 20 N -1.37 -0.86 -3.60 1.68 3.00 -1.26 -4.84 118.16 110.91 1uw0 n LYS 20 Ca 0.01 0.60 -0.04 0.00 -0.00 0.00 0.00 58.31 58.88 1uw0 n LYS 20 Cb 0.54 -4.68 -0.02 0.00 0.00 0.00 0.00 35.03 30.87 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uw0 n LYS 22 N -0.28 3.72 -3.11 0.00 3.00 -1.26 -4.79 118.16 115.45 1uw0 n LYS 22 Ca -0.05 -3.96 -0.11 0.00 -0.00 0.00 0.00 58.31 54.19 1uw0 n LYS 22 Cb 0.60 -2.34 -0.04 0.00 0.00 0.00 0.00 35.03 33.26 1uw0 n LYS 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1uw0 n GLU 23 N -0.37 0.43 -4.07 1.64 2.13 -1.26 -5.09 120.64 114.06 1uw0 n GLU 23 Ca 0.51 -1.62 -0.09 0.00 0.66 0.00 0.00 57.16 56.62 1uw0 n GLU 23 Cb 0.25 1.14 -0.10 0.00 0.27 0.00 0.00 31.44 33.00 1uw0 n GLU 23 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1uw0 s LYS 24 N -2.69 0.55 -0.50 5.31 -2.85 -1.26 -2.60 119.74 115.70 1uw0 s LYS 24 Ca 0.15 -1.03 -0.18 0.00 -1.00 0.00 0.00 55.97 53.91 1uw0 s LYS 24 Cb 0.01 0.08 0.06 0.00 -2.06 0.00 0.00 37.83 35.92 1uw0 s LYS 24 CO 0.11 -0.07 0.58 0.42 0.10 0.00 0.00 175.35 176.49 1uw0 s ILE 25 N -2.99 4.95 0.30 3.79 1.01 0.26 -4.78 121.20 123.74 1uw0 s ILE 25 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.10 1uw0 s ILE 25 Cb 0.01 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1uw0 s ILE 25 CO -0.06 -0.76 0.18 -0.69 0.00 0.00 0.00 174.94 173.61 1uw0 s VAL 26 N 2.41 3.66 -0.17 2.92 1.01 -1.26 -2.60 120.40 126.37 1uw0 s VAL 26 Ca 0.13 -1.55 -0.42 0.00 0.00 0.00 0.00 61.98 60.13 1uw0 s VAL 26 Cb -0.20 -3.14 -0.20 0.00 0.00 0.00 0.00 36.38 32.84 1uw0 s VAL 26 CO 0.11 -0.26 1.30 0.29 0.00 0.00 0.00 175.10 176.53 1uw0 n LYS 27 N -1.18 0.15 0.00 2.72 5.02 -1.26 -2.16 118.16 121.45 1uw0 n LYS 27 Ca -0.05 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1uw0 n LYS 27 Cb 0.59 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 2.54 0.76 3.51 0.72 0.00 -1.26 -5.04 105.19 106.42 1uw0 n GLY 28 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 3.67 -0.06 1.61 1.01 -0.92 -4.96 120.40 118.75 1uw0 s VAL 29 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1uw0 s VAL 29 Cb 0.00 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1uw0 s VAL 29 CO 0.00 0.54 0.56 0.00 0.00 0.00 0.00 175.10 176.20 1uw0 s ARG 31 N 0.23 0.87 -0.10 0.00 3.03 0.08 -4.20 118.95 118.85 1uw0 s ARG 31 Ca 0.30 -1.05 -0.04 0.00 2.03 0.00 0.00 55.73 56.96 1uw0 s ARG 31 Cb -0.17 -0.79 -0.04 0.00 -1.03 0.00 0.00 34.95 32.93 1uw0 s ARG 31 CO 0.14 0.16 0.07 0.42 -1.13 0.00 0.00 175.30 174.96 1uw0 s ILE 32 N -1.68 4.87 -0.20 4.99 1.01 -1.25 -1.01 121.20 127.94 1uw0 s ILE 32 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1uw0 s ILE 32 Cb -0.08 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1uw0 s ILE 32 CO 0.02 0.61 0.08 -0.83 0.00 0.00 0.00 174.94 174.82 1uw0 s GLY 33 N -0.90 1.91 -0.28 6.18 0.00 0.22 -3.06 107.32 111.40 1uw0 s GLY 33 Ca 0.14 -0.81 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 1uw0 s GLY 33 CO 0.03 0.17 0.04 1.25 0.00 0.00 0.00 173.10 174.58 1uw0 s LYS 34 N 0.61 3.02 -0.45 2.90 2.20 -1.22 0.11 119.74 126.91 1uw0 s LYS 34 Ca 0.04 -0.89 -0.16 0.00 -0.36 0.00 0.00 55.97 54.60 1uw0 s LYS 34 Cb -0.13 -3.25 0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1uw0 s LYS 34 CO 0.01 -0.43 0.40 0.08 -0.36 0.00 0.00 175.35 175.05 1uw0 s VAL 35 N 1.45 5.18 0.02 4.02 1.01 0.18 -3.88 120.40 128.37 1uw0 s VAL 35 Ca 0.02 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1uw0 s VAL 35 Cb -0.17 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1uw0 s VAL 35 CO 0.00 -0.48 -0.20 0.54 0.00 0.00 0.00 175.10 174.96 1uw0 s VAL 36 N 1.86 1.63 -0.01 2.92 0.11 -1.19 -2.84 120.40 122.87 1uw0 s VAL 36 Ca 0.07 -1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 57.75 1uw0 s VAL 36 Cb -0.21 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1uw0 s VAL 36 CO 0.10 0.29 1.15 -2.16 -3.33 0.00 0.00 175.10 171.15 1uw0 s PRO 37 N -0.92 4.42 -0.30 1.54 0.04 -1.26 -2.99 135.00 135.52 1uw0 s PRO 37 Ca 0.07 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 1uw0 s PRO 37 Cb -0.08 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 1uw0 s PRO 37 CO 0.01 -0.31 0.14 -0.80 0.04 0.00 0.00 177.00 176.08 1uw0 s ASN 38 N 1.24 5.51 -1.20 6.66 -0.87 -0.93 -5.00 114.94 120.35 1uw0 s ASN 38 Ca 0.56 -0.43 -0.20 0.00 -1.57 0.00 0.00 52.86 51.22 1uw0 s ASN 38 Cb -0.25 -2.00 -0.02 0.00 -0.02 0.00 0.00 41.25 38.96 1uw0 s ASN 38 CO 0.25 -0.16 1.91 -0.81 -2.57 0.00 0.00 177.10 175.72 1uw0 n PRO 39 N 4.98 2.34 0.17 -0.60 -0.04 -1.26 -4.15 135.00 136.43 1uw0 n PRO 39 Ca -0.14 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1uw0 n PRO 39 Cb 0.50 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 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 9.87 -3.33 -4.16 0.54 -0.00 -1.26 -5.14 117.46 113.98 1uw0 n PHE 40 Ca 0.48 0.90 -0.23 0.00 -0.00 0.00 0.00 57.45 58.60 1uw0 n PHE 40 Cb 0.44 2.08 -0.05 0.00 -0.00 0.00 0.00 39.48 41.94 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 -3.53 5.23 -0.10 -2.13 0.15 -1.26 -5.05 113.70 107.01 1uw0 s SER 41 Ca 0.00 -0.34 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 1uw0 s SER 41 Cb 0.00 -1.24 -0.25 0.00 -1.71 0.00 0.00 66.02 62.81 1uw0 s SER 41 CO 0.00 -0.00 0.43 -0.62 1.20 0.00 0.00 173.24 174.25 1uw0 n GLU 42 N -0.92 0.73 -0.06 5.44 -0.58 -1.26 -4.27 120.64 119.73 1uw0 n GLU 42 Ca -0.08 0.27 -0.16 0.00 -0.42 0.00 0.00 57.16 56.77 1uw0 n GLU 42 Cb 0.57 -1.73 -0.06 0.00 -0.57 0.00 0.00 31.44 29.66 1uw0 n GLU 42 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1uw0 h SER 43 N 0.06 0.95 -1.38 1.62 0.87 -2.00 -3.35 113.55 110.32 1uw0 h SER 43 Ca -0.39 -0.57 -0.72 0.00 -1.23 0.00 0.00 61.79 58.87 1uw0 h SER 43 Cb 2.03 -0.28 -0.13 0.00 -0.44 0.00 0.00 62.40 63.59 1uw0 h SER 43 CO 0.09 1.36 1.94 0.61 -0.53 0.00 0.00 176.83 180.30 1uw0 n GLY 44 N 0.51 3.49 0.00 5.77 0.00 -1.26 -4.86 105.19 108.84 1uw0 n GLY 44 Ca -0.06 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 4.28 -2.52 3.38 -0.02 0.00 -1.26 -4.63 105.19 104.42 1uw0 n GLY 45 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.93 3.64 0.15 1.61 1.11 -1.26 -2.18 116.67 117.81 1uw0 s ASP 46 Ca 0.00 -0.34 0.10 0.00 0.18 0.00 0.00 52.55 52.49 1uw0 s ASP 46 Cb 0.00 -0.89 -0.04 0.00 1.07 0.00 0.00 42.92 43.06 1uw0 s ASP 46 CO 0.00 0.29 -0.18 -0.32 1.18 0.00 0.00 175.17 176.14 1uw0 s MET 47 N -0.40 1.76 0.05 8.23 1.75 -1.16 -4.89 119.30 124.63 1uw0 s MET 47 Ca 0.04 -1.30 0.07 0.00 -1.25 0.00 0.00 55.69 53.25 1uw0 s MET 47 Cb -0.12 -2.04 -0.03 0.00 2.84 0.00 0.00 34.83 35.48 1uw0 s MET 47 CO 0.02 0.44 -0.20 -1.59 -0.65 0.00 0.00 175.02 173.04 1uw0 s LYS 48 N -2.46 1.35 0.14 4.11 -2.85 -1.26 -3.19 119.74 115.58 1uw0 s LYS 48 Ca 0.20 -0.94 0.06 0.00 -1.00 0.00 0.00 55.97 54.29 1uw0 s LYS 48 Cb -0.09 -1.46 -0.04 0.00 -2.06 0.00 0.00 37.83 34.18 1uw0 s LYS 48 CO 0.11 0.37 -0.13 -1.21 0.10 0.00 0.00 175.35 174.59 1uw0 s GLU 49 N -1.21 1.09 -0.07 1.78 0.41 -1.25 -4.89 118.70 114.55 1uw0 s GLU 49 Ca 0.07 -1.34 -0.04 0.00 -0.41 0.00 0.00 54.97 53.24 1uw0 s GLU 49 Cb -0.09 -0.89 -0.04 0.00 -1.78 0.00 0.00 34.13 31.33 1uw0 s GLU 49 CO 0.02 0.16 0.12 -1.58 -0.49 0.00 0.00 175.26 173.49 1uw0 s TRP 50 N -2.52 3.48 0.45 1.61 0.23 -1.26 -3.39 118.94 117.55 1uw0 s TRP 50 Ca 0.13 0.40 0.04 0.00 -2.03 0.00 0.00 56.10 54.63 1uw0 s TRP 50 Cb -0.03 -1.86 -0.05 0.00 0.03 0.00 0.00 33.47 31.56 1uw0 s TRP 50 CO 0.03 0.65 0.02 0.71 0.96 0.00 0.00 176.95 179.32 1uw0 s TYR 51 N -1.11 2.15 0.28 -1.98 2.02 -1.17 -4.00 117.35 113.53 1uw0 s TYR 51 Ca 0.19 -0.86 0.01 0.00 -0.37 0.00 0.00 57.07 56.04 1uw0 s TYR 51 Cb -0.12 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.87 1uw0 s TYR 51 CO 0.09 0.27 0.38 0.72 -1.57 0.00 0.00 175.55 175.44 1uw0 n HIS 52 N -1.07 -3.13 0.06 2.71 8.25 -1.26 -3.79 115.22 116.99 1uw0 n HIS 52 Ca -0.11 -0.72 -0.14 0.00 -0.26 0.00 0.00 57.72 56.50 1uw0 n HIS 52 Cb 0.67 -0.28 -0.14 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.39 1.30 0.05 1.59 1.08 -2.00 -3.22 117.51 115.91 1uw0 h ILE 53 Ca -0.13 -2.97 -0.32 0.00 -0.39 0.00 0.00 64.86 61.05 1uw0 h ILE 53 Cb 0.48 2.77 -0.04 0.00 -3.07 0.00 0.00 36.82 36.97 1uw0 h ILE 53 CO 0.14 0.83 -1.84 1.17 -0.69 0.00 0.00 178.15 177.76 1uw0 n LYS 54 N -3.40 0.68 0.12 2.37 4.81 -1.26 -3.33 118.16 118.16 1uw0 n LYS 54 Ca -0.11 0.28 -0.14 0.00 -0.87 0.00 0.00 58.31 57.47 1uw0 n LYS 54 Cb 1.02 -1.75 -0.08 0.00 0.02 0.00 0.00 35.03 34.24 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 -0.43 0.98 -0.00 0.00 1.85 -1.75 -1.90 114.93 113.68 1uw0 h MET 56 Ca -0.03 -0.32 -0.16 0.00 -0.61 0.00 0.00 59.70 58.58 1uw0 h MET 56 Cb 0.33 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 1uw0 h MET 56 CO 0.04 0.99 -0.77 0.74 -0.40 0.00 0.00 176.91 177.52 1uw0 h PHE 57 N 0.89 0.04 -0.30 1.39 0.04 -1.54 -3.14 116.94 114.33 1uw0 h PHE 57 Ca 0.15 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.79 1uw0 h PHE 57 Cb 0.58 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1uw0 h PHE 57 CO 0.04 0.78 -0.29 1.49 -0.60 0.00 0.00 178.31 179.72 1uw0 h GLU 58 N 0.02 0.62 -1.01 1.51 4.81 0.97 -2.92 114.58 118.59 1uw0 h GLU 58 Ca -0.01 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1uw0 h GLU 58 Cb 1.35 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 1uw0 h GLU 58 CO 0.10 0.85 0.67 -0.22 -0.73 0.00 0.00 179.01 179.67 1uw0 h LYS 59 N 0.54 1.32 -0.52 1.92 3.64 -1.30 -2.36 116.57 119.81 1uw0 h LYS 59 Ca 0.07 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1uw0 h LYS 59 Cb 0.77 -0.30 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1uw0 h LYS 59 CO 0.06 0.87 0.34 -0.07 -2.27 0.00 0.00 179.45 178.39 1uw0 h LEU 60 N 1.36 0.59 -1.49 5.20 4.07 -1.53 0.82 115.31 124.32 1uw0 h LEU 60 Ca 0.37 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.36 1uw0 h LEU 60 Cb -0.16 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.41 1uw0 h LEU 60 CO -0.08 0.42 0.39 -0.08 -1.08 0.00 0.00 178.44 178.01 1uw0 h GLU 61 N 0.69 0.63 0.00 1.13 4.81 -1.36 -2.65 114.58 117.83 1uw0 h GLU 61 Ca 0.19 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.12 1uw0 h GLU 61 Cb -0.07 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.12 1uw0 h GLU 61 CO -0.05 0.42 -1.62 -0.09 -0.73 0.00 0.00 179.01 176.94 1uw0 h ARG 62 N 0.65 0.00 -7.10 1.92 2.43 -1.06 -3.48 114.38 107.75 1uw0 h ARG 62 Ca 0.24 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.96 1uw0 h ARG 62 Cb 0.14 0.00 0.22 0.00 -0.42 0.00 0.00 29.97 29.91 1uw0 h ARG 62 CO -0.07 0.47 -0.08 0.00 -1.51 0.00 0.00 179.97 178.79 1uw0 n ALA 63 N -2.51 -2.73 -1.17 2.80 0.00 0.28 -4.94 120.51 112.23 1uw0 n ALA 63 Ca -0.15 -1.10 -0.33 0.00 0.00 0.00 0.00 53.44 51.87 1uw0 n ALA 63 Cb 1.01 -1.98 0.11 0.00 0.00 0.00 0.00 19.45 18.58 1uw0 n ALA 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1uw0 s ARG 64 N -4.34 1.91 0.01 0.00 1.81 -1.26 -4.96 118.95 112.12 1uw0 s ARG 64 Ca 0.67 1.56 0.03 0.00 -1.72 0.00 0.00 55.73 56.27 1uw0 s ARG 64 Cb -0.24 -1.83 -0.25 0.00 -0.45 0.00 0.00 34.95 32.18 1uw0 s ARG 64 CO 0.64 -1.97 0.86 0.00 -0.68 0.00 0.00 175.30 174.16 1uw0 h ALA 65 N -0.84 0.42 -1.01 2.13 0.00 -1.92 -3.34 119.26 114.71 1uw0 h ALA 65 Ca -0.46 -1.18 0.25 0.00 0.00 0.00 0.00 54.91 53.53 1uw0 h ALA 65 Cb 1.27 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 1uw0 h ALA 65 CO 0.48 1.28 0.66 1.15 0.00 0.00 0.00 179.25 182.83 1uw0 h THR 66 N 0.04 0.56 -3.36 0.00 2.02 -2.02 -3.37 112.91 106.77 1uw0 h THR 66 Ca -0.22 -0.12 -0.63 0.00 0.77 0.00 0.00 66.41 66.21 1uw0 h THR 66 Cb 1.97 0.18 -0.19 0.00 -1.74 0.00 0.00 68.15 68.37 1uw0 h THR 66 CO 0.13 0.06 -0.61 0.42 0.37 0.00 0.00 175.52 175.90 1uw0 s THR 67 N -5.41 4.41 0.01 3.16 -4.23 -1.25 -5.10 115.64 107.22 1uw0 s THR 67 Ca -0.08 -0.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.32 1uw0 s THR 67 Cb 0.24 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 1uw0 s THR 67 CO 0.79 0.45 -0.15 -0.75 -0.54 0.00 0.00 174.62 174.42 1uw0 s LYS 68 N 0.60 2.29 0.09 3.99 2.20 -1.26 -4.79 119.74 122.86 1uw0 s LYS 68 Ca 0.01 -0.85 0.07 0.00 -0.36 0.00 0.00 55.97 54.85 1uw0 s LYS 68 Cb -0.13 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.86 1uw0 s LYS 68 CO 0.02 0.58 -0.19 0.15 -0.36 0.00 0.00 175.35 175.54 1uw0 s LYS 69 N -1.20 1.05 -0.15 4.03 1.02 -1.26 -4.97 119.74 118.25 1uw0 s LYS 69 Ca 0.14 -1.09 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 1uw0 s LYS 69 Cb -0.11 -1.24 0.03 0.00 -0.52 0.00 0.00 37.83 36.00 1uw0 s LYS 69 CO 0.04 0.29 0.16 -0.89 -0.92 0.00 0.00 175.35 174.03 1uw0 n ILE 70 N 1.17 -9.63 -4.54 2.17 5.41 -1.26 -5.00 119.36 107.69 1uw0 n ILE 70 Ca -0.20 1.96 -0.33 0.00 1.00 0.00 0.00 62.75 65.18 1uw0 n ILE 70 Cb 0.54 -5.51 -0.11 0.00 -0.71 0.00 0.00 39.64 33.85 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 -0.63 2.69 1.63 0.38 2.02 -1.26 -5.03 118.70 118.50 1uw0 s GLU 71 Ca -0.18 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1uw0 s GLU 71 Cb 0.01 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1uw0 s GLU 71 CO 0.58 0.64 0.00 -3.47 0.02 0.00 0.00 175.26 173.03 1uw0 n ASP 72 N 1.93 -3.11 -1.85 -0.19 2.03 -1.26 -4.09 116.55 110.01 1uw0 n ASP 72 Ca -0.17 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.93 1uw0 n ASP 72 Cb 0.53 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.00 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1uw0 n LEU 73 N 0.00 5.22 -2.22 -2.67 7.94 -1.26 -4.65 117.00 119.36 1uw0 n LEU 73 Ca 0.00 -4.44 -0.02 0.00 -1.11 0.00 0.00 56.01 50.44 1uw0 n LEU 73 Cb 0.00 -0.53 0.06 0.00 0.53 0.00 0.00 43.42 43.47 1uw0 n LEU 73 CO 0.00 1.79 0.36 0.35 -1.11 0.00 0.00 177.39 178.78 1uw0 n THR 74 N -0.85 0.30 -2.19 1.96 -2.24 -1.26 -4.94 114.28 105.06 1uw0 n THR 74 Ca 0.44 -1.24 -0.15 0.00 -2.27 0.00 0.00 64.05 60.83 1uw0 n THR 74 Cb 0.90 0.97 0.04 0.00 -2.10 0.00 0.00 70.33 70.14 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 -0.77 2.88 -3.81 -0.78 -0.58 -1.26 -5.05 120.64 111.28 1uw0 n GLU 75 Ca -0.11 -3.87 -0.11 0.00 -0.42 0.00 0.00 57.16 52.64 1uw0 n GLU 75 Cb 0.85 -1.99 -0.08 0.00 -0.57 0.00 0.00 31.44 29.65 1uw0 n GLU 75 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1uw0 s LEU 76 N -3.50 1.17 -0.71 -4.62 2.96 -1.26 -4.83 118.68 107.90 1uw0 s LEU 76 Ca 0.44 -0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.90 1uw0 s LEU 76 Cb 0.38 1.09 0.09 0.00 0.50 0.00 0.00 46.19 48.25 1uw0 s LEU 76 CO 0.00 -0.54 0.94 -0.70 -1.32 0.00 0.00 176.35 174.74 1uw0 s GLU 77 N -2.27 3.21 0.00 1.98 2.12 -1.18 -4.12 118.70 118.44 1uw0 s GLU 77 Ca -0.07 -1.16 0.00 0.00 0.36 0.00 0.00 54.97 54.10 1uw0 s GLU 77 Cb -0.02 -4.39 0.00 0.00 0.26 0.00 0.00 34.13 29.97 1uw0 s GLU 77 CO -0.02 -1.74 0.00 0.41 -0.54 0.00 0.00 175.26 173.37 1uw0 n GLY 78 N 5.34 2.08 0.44 -1.50 0.00 -1.26 -2.00 105.19 108.29 1uw0 n GLY 78 Ca 0.01 -0.22 0.25 0.00 0.00 0.00 0.00 46.02 46.07 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 0.07 -0.71 1.61 5.08 -1.75 -0.41 115.95 119.84 1uw0 h TRP 79 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 1uw0 h TRP 79 Cb 0.00 -0.02 -0.04 0.00 -3.00 0.00 0.00 29.16 26.10 1uw0 h TRP 79 CO 0.00 0.02 0.47 1.49 -1.28 0.00 0.00 178.44 179.14 1uw0 h GLU 80 N 0.06 0.93 -0.88 0.12 4.22 -1.94 -2.26 114.58 114.84 1uw0 h GLU 80 Ca 0.39 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.76 1uw0 h GLU 80 Cb 1.46 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1uw0 h GLU 80 CO -0.03 0.62 0.50 1.49 -2.18 0.00 0.00 179.01 179.41 1uw0 h GLU 81 N 0.96 1.21 -6.33 1.92 4.81 -1.44 -3.44 114.58 112.27 1uw0 h GLU 81 Ca 0.26 -0.13 -0.36 0.00 -0.13 0.00 0.00 59.36 59.00 1uw0 h GLU 81 Cb -0.11 -0.24 0.19 0.00 0.63 0.00 0.00 28.75 29.22 1uw0 h GLU 81 CO -0.06 0.87 -0.91 1.28 -0.73 0.00 0.00 179.01 179.46 1uw0 n LEU 82 N -4.34 -1.98 -4.81 1.64 4.32 -0.85 -5.00 117.00 105.98 1uw0 n LEU 82 Ca 0.09 -0.24 -0.22 0.00 -0.02 0.00 0.00 56.01 55.63 1uw0 n LEU 82 Cb 0.09 -0.82 -0.05 0.00 -1.62 0.00 0.00 43.42 41.01 1uw0 n LEU 82 CO 0.38 -3.10 -0.16 -1.61 -1.22 0.00 0.00 177.39 171.69 1uw0 s GLU 83 N -3.32 2.76 0.22 3.23 2.02 -1.26 -4.93 118.70 117.43 1uw0 s GLU 83 Ca 0.45 -1.20 -0.07 0.00 0.02 0.00 0.00 54.97 54.17 1uw0 s GLU 83 Cb -0.07 -2.47 0.32 0.00 0.10 0.00 0.00 34.13 32.01 1uw0 s GLU 83 CO 0.52 0.29 1.79 -0.44 0.02 0.00 0.00 175.26 177.43 1uw0 h ASP 84 N 1.47 0.50 0.10 -0.19 5.19 -1.96 0.57 116.42 122.10 1uw0 h ASP 84 Ca -0.47 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1uw0 h ASP 84 Cb 1.25 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1uw0 h ASP 84 CO 0.60 0.29 -0.05 -1.13 -3.12 0.00 0.00 179.24 175.84 1uw0 h ASN 85 N 0.64 -0.12 -0.76 6.45 -0.73 -2.00 -1.14 115.58 117.92 1uw0 h ASN 85 Ca 0.34 -0.10 -0.03 0.00 1.87 0.00 0.00 56.30 58.38 1uw0 h ASN 85 Cb 0.32 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.91 1uw0 h ASN 85 CO -0.25 0.03 0.37 -0.33 -0.37 0.00 0.00 177.43 176.89 1uw0 h GLU 86 N -0.26 1.11 -0.93 6.67 3.07 -1.83 -2.24 114.58 120.16 1uw0 h GLU 86 Ca -0.01 -0.15 0.02 0.00 -0.50 0.00 0.00 59.36 58.71 1uw0 h GLU 86 Cb 0.21 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 27.87 1uw0 h GLU 86 CO 0.02 0.85 0.62 -0.22 -1.40 0.00 0.00 179.01 178.88 1uw0 h LYS 87 N 1.10 1.19 -1.01 2.33 3.64 0.45 -1.84 116.57 122.42 1uw0 h LYS 87 Ca 0.27 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1uw0 h LYS 87 Cb 0.11 -0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1uw0 h LYS 87 CO -0.03 0.79 0.67 0.93 -2.27 0.00 0.00 179.45 179.53 1uw0 h GLU 88 N 1.22 1.33 -0.67 1.90 5.08 -0.59 -0.87 114.58 121.98 1uw0 h GLU 88 Ca 0.35 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1uw0 h GLU 88 Cb -0.08 -0.30 -0.03 0.00 0.50 0.00 0.00 28.75 28.85 1uw0 h GLU 88 CO -0.09 0.88 0.18 0.37 -1.00 0.00 0.00 179.01 179.35 1uw0 h GLN 89 N 1.37 1.04 -0.40 2.33 5.75 -1.21 -1.87 115.11 122.12 1uw0 h GLN 89 Ca 0.37 -0.23 -0.12 0.00 -0.15 0.00 0.00 58.65 58.52 1uw0 h GLN 89 Cb -0.16 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.23 1uw0 h GLN 89 CO -0.08 0.91 -0.21 0.82 -2.65 0.00 0.00 178.83 177.63 1uw0 h ILE 90 N 1.00 1.28 -0.80 2.39 1.08 -1.01 -2.95 117.51 118.51 1uw0 h ILE 90 Ca 0.21 -1.35 -0.00 0.00 -0.39 0.00 0.00 64.86 63.33 1uw0 h ILE 90 Cb 0.33 1.29 -0.04 0.00 -3.07 0.00 0.00 36.82 35.32 1uw0 h ILE 90 CO -0.00 0.45 0.49 0.74 -0.69 0.00 0.00 178.15 179.14 1uw0 h THR 91 N 0.66 1.22 -0.99 -0.27 2.02 -0.91 -2.21 112.91 112.43 1uw0 h THR 91 Ca 0.09 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1uw0 h THR 91 Cb 0.77 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1uw0 h THR 91 CO 0.06 0.22 0.65 -0.61 0.37 0.00 0.00 175.52 176.21 1uw0 h GLN 92 N 1.09 1.23 -0.24 6.66 4.15 -1.17 -1.24 115.11 125.58 1uw0 h GLN 92 Ca 0.29 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1uw0 h GLN 92 Cb -0.07 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.33 1uw0 h GLN 92 CO -0.06 0.81 0.16 0.45 -1.93 0.00 0.00 178.83 178.27 1uw0 h HIS 93 N 1.27 0.30 -0.72 3.99 3.86 -1.31 0.81 115.15 123.35 1uw0 h HIS 93 Ca 0.39 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.55 1uw0 h HIS 93 Cb -0.03 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 1uw0 h HIS 93 CO -0.00 0.19 0.24 0.82 0.86 0.00 0.00 177.93 180.03 1uw0 h ILE 94 N 0.33 1.25 -0.62 2.45 2.04 -1.34 0.39 117.51 122.01 1uw0 h ILE 94 Ca 0.09 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1uw0 h ILE 94 Cb -0.03 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1uw0 h ILE 94 CO -0.02 0.34 0.12 0.00 0.00 0.00 0.00 178.15 178.59 1uw0 h ALA 95 N 1.20 0.83 -0.22 1.87 0.00 -0.78 0.40 119.26 122.55 1uw0 h ALA 95 Ca 0.24 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1uw0 h ALA 95 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1uw0 h ALA 95 CO -0.01 0.57 -0.62 0.22 0.00 0.00 0.00 179.25 179.40 1uw0 h ASP 96 N 0.93 0.93 0.14 0.00 3.58 -0.47 0.83 116.42 122.37 1uw0 h ASP 96 Ca 0.19 -0.58 -0.10 0.00 0.42 0.00 0.00 57.03 56.96 1uw0 h ASP 96 Cb 0.40 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1uw0 h ASP 96 CO 0.01 1.34 -0.37 0.25 -2.88 0.00 0.00 179.24 177.60 1uw0 h LEU 97 N 0.57 0.32 0.00 2.28 5.85 -0.02 -3.35 115.31 120.96 1uw0 h LEU 97 Ca -0.01 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1uw0 h LEU 97 Cb 1.24 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1uw0 h LEU 97 CO 0.13 0.67 -0.83 -0.24 -0.34 0.00 0.00 178.44 177.84 1uw0 n SER 98 N -4.06 1.86 -0.30 1.25 2.88 0.14 -5.02 113.62 110.37 1uw0 n SER 98 Ca -0.01 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1uw0 n SER 98 Cb 0.46 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1uw0 n SER 98 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uw0 n SER 99 N -4.53 -2.78 -3.06 -3.46 7.64 0.29 -4.94 113.62 102.78 1uw0 n SER 99 Ca -0.14 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.56 1uw0 n SER 99 Cb 0.41 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1uw0 n SER 99 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1uw0 n LYS 100 N -0.61 -2.25 0.01 1.43 5.02 -1.26 -5.00 118.16 115.52 1uw0 n LYS 100 Ca 0.00 1.91 -0.02 0.00 -2.02 0.00 0.00 58.31 58.17 1uw0 n LYS 100 Cb 0.00 -4.51 -0.01 0.00 -0.02 0.00 0.00 35.03 30.49 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 -0.26 2.69 0.03 7.82 0.00 -1.26 -5.03 120.51 124.51 1uw0 n ALA 101 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1uw0 n ALA 101 Cb 0.53 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1uw0 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uw0 n ALA 102 N -3.51 3.00 -3.16 0.00 0.00 -1.26 -5.00 120.51 110.58 1uw0 n ALA 102 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 1uw0 n ALA 102 Cb 0.22 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 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 3.01 2.93 2.62 0.00 0.00 -1.26 -4.96 105.19 107.53 1uw0 n GLY 103 Ca 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1uw0 n GLY 103 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1uw0 n THR 104 N 1.05 0.00 -2.21 2.61 5.66 -1.26 -5.10 114.28 115.03 1uw0 n THR 104 Ca 0.21 -2.15 -0.42 0.00 -3.05 0.00 0.00 64.05 58.64 1uw0 n THR 104 Cb 0.58 1.07 -0.02 0.00 -1.55 0.00 0.00 70.33 70.40 1uw0 n THR 104 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1uw0 s PRO 105 N -0.38 3.38 0.05 1.09 0.04 -1.26 -3.99 135.00 133.93 1uw0 s PRO 105 Ca 0.26 1.01 0.05 0.00 0.04 0.00 0.00 61.00 62.36 1uw0 s PRO 105 Cb 0.32 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.71 1uw0 s PRO 105 CO -0.06 -1.81 -0.15 0.15 0.04 0.00 0.00 177.00 175.18 1uw0 s LYS 106 N 5.42 0.93 -0.03 4.56 1.02 -1.26 -5.07 119.74 125.31 1uw0 s LYS 106 Ca 0.67 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.80 1uw0 s LYS 106 Cb -0.16 -0.95 0.01 0.00 -0.52 0.00 0.00 37.83 36.21 1uw0 s LYS 106 CO 0.31 0.23 0.10 0.15 -0.92 0.00 0.00 175.35 175.22 1uw0 s LYS 107 N -1.30 0.15 -0.39 1.68 1.02 -1.26 -4.95 119.74 114.70 1uw0 s LYS 107 Ca 0.01 0.07 -0.21 0.00 0.02 0.00 0.00 55.97 55.86 1uw0 s LYS 107 Cb -0.08 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1uw0 s LYS 107 CO 0.02 -0.02 0.52 1.63 -0.92 0.00 0.00 175.35 176.57 1uw0 n LYS 108 N 2.85 -2.23 -3.82 1.68 4.76 -1.26 -5.01 118.16 115.13 1uw0 n LYS 108 Ca -0.14 1.89 -0.25 0.00 -2.87 0.00 0.00 58.31 56.95 1uw0 n LYS 108 Cb 0.59 -4.19 -0.17 0.00 -1.84 0.00 0.00 35.03 29.42 1uw0 n LYS 108 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uw0 s ALA 109 N -2.03 0.97 0.04 7.82 0.00 -1.26 -5.14 121.76 122.16 1uw0 s ALA 109 Ca 0.25 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1uw0 s ALA 109 Cb -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1uw0 s ALA 109 CO 0.76 -0.51 -0.14 0.54 0.00 0.00 0.00 175.76 176.41 1uw0 s VAL 110 N 1.86 1.07 0.01 0.00 0.11 -1.26 -5.15 120.40 117.04 1uw0 s VAL 110 Ca 0.04 -1.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 1uw0 s VAL 110 Cb -0.13 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1uw0 s VAL 110 CO -0.07 -0.04 -0.03 0.68 -3.33 0.00 0.00 175.10 172.31 1uw0 s VAL 111 N -0.91 0.23 -0.31 2.04 -7.23 -1.26 -5.13 120.40 107.83 1uw0 s VAL 111 Ca 0.01 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1uw0 s VAL 111 Cb -0.08 -0.24 0.08 0.00 0.56 0.00 0.00 36.38 36.69 1uw0 s VAL 111 CO 0.01 -0.09 -0.00 -1.10 -0.31 0.00 0.00 175.10 173.61 1uw0 s GLN 112 N -0.49 1.99 -0.06 4.82 -1.52 -1.26 -5.10 119.66 118.05 1uw0 s GLN 112 Ca -0.03 -1.57 0.05 0.00 -1.95 0.00 0.00 55.36 51.86 1uw0 s GLN 112 Cb -0.04 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.61 1uw0 s GLN 112 CO -0.00 -0.76 -0.21 0.00 -0.25 0.00 0.00 175.29 174.07 1uw0 s ALA 113 N 1.06 2.34 -0.25 6.09 0.00 -1.26 -5.11 121.76 124.63 1uw0 s ALA 113 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1uw0 s ALA 113 Cb -0.20 -0.78 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1uw0 s ALA 113 CO -0.05 0.46 -0.08 0.15 0.00 0.00 0.00 175.76 176.23 1uw0 s LYS 114 N -0.34 1.94 -0.06 0.00 -0.14 -1.26 -5.11 119.74 114.76 1uw0 s LYS 114 Ca 0.02 -1.16 0.05 0.00 -1.36 0.00 0.00 55.97 53.52 1uw0 s LYS 114 Cb -0.12 -2.73 -0.02 0.00 -1.68 0.00 0.00 37.83 33.28 1uw0 s LYS 114 CO 0.02 -0.58 -0.21 -0.51 -0.76 0.00 0.00 175.35 173.31 1uw0 s LEU 115 N 1.25 2.32 0.02 3.17 1.02 -1.26 -5.13 118.68 120.07 1uw0 s LEU 115 Ca -0.07 -0.40 0.09 0.00 0.02 0.00 0.00 54.13 53.76 1uw0 s LEU 115 Cb -0.19 -1.45 -0.03 0.00 0.02 0.00 0.00 46.19 44.55 1uw0 s LEU 115 CO -0.06 0.27 -0.25 0.42 0.02 0.00 0.00 176.35 176.75 1uw0 s THR 116 N -0.30 2.17 0.00 5.49 -4.23 -1.26 -5.37 115.64 112.13 1uw0 s THR 116 Ca 0.01 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1uw0 s THR 116 Cb -0.13 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1uw0 s THR 116 CO 0.02 0.46 0.28 0.41 -0.54 0.00 0.00 174.62 175.25