#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 0.57 -3.75 3.17 0.00 -1.26 -5.11 120.51 114.13 1uw0 n ALA 2 Ca 0.00 -1.63 -0.28 0.00 0.00 0.00 0.00 53.44 51.54 1uw0 n ALA 2 Cb 0.00 1.27 -0.11 0.00 0.00 0.00 0.00 19.45 20.61 1uw0 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uw0 n GLU 3 N -0.57 1.65 -4.35 0.00 -0.58 -1.26 -5.08 120.64 110.45 1uw0 n GLU 3 Ca 0.04 -4.29 -0.20 0.00 -0.42 0.00 0.00 57.16 52.29 1uw0 n GLU 3 Cb 0.50 -2.17 -0.10 0.00 -0.57 0.00 0.00 31.44 29.10 1uw0 n GLU 3 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1uw0 s GLN 4 N -1.37 1.34 0.19 3.49 -0.21 -1.26 -4.26 119.66 117.57 1uw0 s GLN 4 Ca 0.28 -1.56 0.09 0.00 0.02 0.00 0.00 55.36 54.19 1uw0 s GLN 4 Cb -0.00 -1.22 -0.04 0.00 1.00 0.00 0.00 33.01 32.75 1uw0 s GLN 4 CO -0.15 0.22 -0.18 0.50 -2.12 0.00 0.00 175.29 173.56 1uw0 s ARG 5 N -3.42 1.33 -0.10 2.91 3.52 0.52 -4.95 118.95 118.76 1uw0 s ARG 5 Ca 0.21 -1.49 -0.08 0.00 -0.13 0.00 0.00 55.73 54.25 1uw0 s ARG 5 Cb -0.02 -1.35 0.03 0.00 -1.56 0.00 0.00 34.95 32.05 1uw0 s ARG 5 CO 0.07 0.26 0.27 -0.06 -0.81 0.00 0.00 175.30 175.03 1uw0 s PHE 6 N -2.28 -0.32 0.13 5.12 0.08 -1.26 -0.67 117.98 118.79 1uw0 s PHE 6 Ca 0.19 0.76 -0.15 0.00 0.12 0.00 0.00 56.93 57.85 1uw0 s PHE 6 Cb -0.05 0.09 0.03 0.00 -0.57 0.00 0.00 43.02 42.52 1uw0 s PHE 6 CO 0.08 -0.18 0.39 0.00 -0.10 0.00 0.00 175.22 175.40 1uw0 s VAL 8 N -3.83 5.01 0.20 0.00 -7.23 -1.26 -0.60 120.40 112.69 1uw0 s VAL 8 Ca 0.05 0.06 0.11 0.00 -1.81 0.00 0.00 61.98 60.39 1uw0 s VAL 8 Cb 0.02 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 1uw0 s VAL 8 CO -0.10 0.32 -0.23 -1.81 -0.31 0.00 0.00 175.10 172.98 1uw0 s ASP 9 N 1.36 3.35 0.07 4.85 1.11 0.28 -3.88 116.67 123.81 1uw0 s ASP 9 Ca 0.06 -0.88 0.03 0.00 0.18 0.00 0.00 52.55 51.94 1uw0 s ASP 9 Cb -0.15 -0.25 -0.04 0.00 1.07 0.00 0.00 42.92 43.56 1uw0 s ASP 9 CO 0.06 0.09 0.05 -0.31 1.18 0.00 0.00 175.17 176.24 1uw0 s TYR 10 N -1.82 3.13 -0.17 4.23 2.02 -1.26 0.08 117.35 123.56 1uw0 s TYR 10 Ca 0.21 0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.93 1uw0 s TYR 10 Cb -0.07 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1uw0 s TYR 10 CO 0.10 0.51 -0.06 0.00 -1.57 0.00 0.00 175.55 174.53 1uw0 s ALA 11 N -1.34 2.85 0.01 3.71 0.00 -1.13 -4.94 121.76 120.92 1uw0 s ALA 11 Ca 0.27 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1uw0 s ALA 11 Cb -0.12 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 1uw0 s ALA 11 CO 0.20 -0.02 -0.06 1.17 0.00 0.00 0.00 175.76 177.05 1uw0 n LYS 12 N 4.00 0.09 -3.89 0.00 4.81 -1.26 -2.38 118.16 119.54 1uw0 n LYS 12 Ca -0.18 0.04 -0.32 0.00 -0.87 0.00 0.00 58.31 56.98 1uw0 n LYS 12 Cb 0.52 -0.66 -0.13 0.00 0.02 0.00 0.00 35.03 34.78 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 -2.13 2.03 0.00 1.64 3.52 -1.26 -4.36 118.95 118.39 1uw0 s ARG 13 Ca -0.06 -2.37 0.00 0.00 -0.13 0.00 0.00 55.73 53.17 1uw0 s ARG 13 Cb 0.01 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1uw0 s ARG 13 CO 0.08 -1.09 0.00 0.41 -0.81 0.00 0.00 175.30 173.89 1uw0 n GLY 14 N 3.58 3.99 3.48 8.12 0.00 -1.26 -5.11 105.19 117.99 1uw0 n GLY 14 Ca 0.05 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 2.89 -0.05 2.61 -4.23 -1.26 -4.67 115.64 110.94 1uw0 s THR 15 Ca 0.00 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1uw0 s THR 15 Cb 0.00 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.63 1uw0 s THR 15 CO 0.00 0.32 0.27 0.00 -0.54 0.00 0.00 174.62 174.66 1uw0 s ALA 16 N -0.96 -0.66 0.17 3.99 0.00 -1.14 -4.90 121.76 118.26 1uw0 s ALA 16 Ca 0.15 0.45 -0.34 0.00 0.00 0.00 0.00 51.96 52.23 1uw0 s ALA 16 Cb -0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 23.12 22.72 1uw0 s ALA 16 CO 0.06 -0.19 1.56 0.41 0.00 0.00 0.00 175.76 177.60 1uw0 n GLY 17 N 2.04 1.10 3.64 0.00 0.00 -1.26 -1.14 105.19 109.57 1uw0 n GLY 17 Ca -0.18 0.64 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 1uw0 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uw0 s LYS 19 N 4.33 1.93 -1.55 0.00 -0.14 -0.41 -2.75 119.74 121.15 1uw0 s LYS 19 Ca 0.70 1.51 0.00 0.00 -1.36 0.00 0.00 55.97 56.82 1uw0 s LYS 19 Cb -0.27 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.05 1uw0 s LYS 19 CO 0.27 -1.94 0.00 1.17 -0.76 0.00 0.00 175.35 174.09 1uw0 n LYS 20 N -3.30 -1.27 -3.64 1.68 3.00 -1.26 -4.59 118.16 108.78 1uw0 n LYS 20 Ca 0.12 1.00 -0.05 0.00 -0.00 0.00 0.00 58.31 59.37 1uw0 n LYS 20 Cb 0.52 -5.23 -0.06 0.00 0.00 0.00 0.00 35.03 30.25 1uw0 n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uw0 s LYS 22 N -0.32 3.82 0.15 0.00 3.01 -1.26 -4.37 119.74 120.76 1uw0 s LYS 22 Ca 0.06 -1.77 -0.08 0.00 -1.01 0.00 0.00 55.97 53.16 1uw0 s LYS 22 Cb -0.03 -5.32 0.03 0.00 -1.01 0.00 0.00 37.83 31.50 1uw0 s LYS 22 CO -0.10 -2.10 0.43 -1.91 0.51 0.00 0.00 175.35 172.18 1uw0 n GLU 23 N 7.86 0.44 -4.25 1.68 2.13 -1.26 -5.02 120.64 122.22 1uw0 n GLU 23 Ca 0.38 -0.91 -0.17 0.00 0.66 0.00 0.00 57.16 57.12 1uw0 n GLU 23 Cb 0.48 1.17 -0.11 0.00 0.27 0.00 0.00 31.44 33.25 1uw0 n GLU 23 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1uw0 s LYS 24 N -2.03 1.06 -0.16 5.31 2.20 -1.26 -0.58 119.74 124.28 1uw0 s LYS 24 Ca 0.09 -1.33 -0.04 0.00 -0.36 0.00 0.00 55.97 54.33 1uw0 s LYS 24 Cb -0.02 -0.85 -0.03 0.00 -1.51 0.00 0.00 37.83 35.42 1uw0 s LYS 24 CO 0.04 0.15 -0.04 0.42 -0.36 0.00 0.00 175.35 175.57 1uw0 s ILE 25 N -2.53 3.88 0.23 5.43 1.01 -0.29 -4.73 121.20 124.19 1uw0 s ILE 25 Ca 0.12 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.50 1uw0 s ILE 25 Cb -0.03 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1uw0 s ILE 25 CO 0.03 0.49 -0.15 0.68 0.00 0.00 0.00 174.94 175.99 1uw0 s VAL 26 N 0.41 1.88 0.15 2.92 -7.23 -1.26 -2.89 120.40 114.38 1uw0 s VAL 26 Ca -0.04 -2.24 -0.33 0.00 -1.81 0.00 0.00 61.98 57.56 1uw0 s VAL 26 Cb -0.14 -2.13 -0.16 0.00 0.56 0.00 0.00 36.38 34.51 1uw0 s VAL 26 CO 0.03 -0.53 1.07 2.29 -0.31 0.00 0.00 175.10 177.64 1uw0 n LYS 27 N -0.45 0.87 0.00 4.82 2.85 -1.26 -2.73 118.16 122.26 1uw0 n LYS 27 Ca -0.07 0.31 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1uw0 n LYS 27 Cb 0.61 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 1uw0 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1uw0 n GLY 28 N 1.92 1.01 3.15 2.58 0.00 -1.00 -5.01 105.19 107.85 1uw0 n GLY 28 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1uw0 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uw0 s VAL 29 N -2.00 1.48 -0.12 1.61 0.11 -1.11 -5.04 120.40 115.34 1uw0 s VAL 29 Ca 0.00 -0.75 -0.18 0.00 -2.93 0.00 0.00 61.98 58.12 1uw0 s VAL 29 Cb 0.00 -1.26 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1uw0 s VAL 29 CO 0.00 0.42 0.46 0.00 -3.33 0.00 0.00 175.10 172.65 1uw0 s ARG 31 N 0.57 1.14 -0.20 0.00 3.03 0.11 -4.30 118.95 119.30 1uw0 s ARG 31 Ca 0.25 -1.20 -0.09 0.00 2.03 0.00 0.00 55.73 56.73 1uw0 s ARG 31 Cb -0.15 -1.36 -0.05 0.00 -1.03 0.00 0.00 34.95 32.36 1uw0 s ARG 31 CO 0.10 0.31 0.10 0.42 -1.13 0.00 0.00 175.30 175.10 1uw0 s ILE 32 N -1.31 5.13 -0.18 4.99 1.01 -0.75 0.10 121.20 130.19 1uw0 s ILE 32 Ca 0.08 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 1uw0 s ILE 32 Cb -0.09 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1uw0 s ILE 32 CO 0.05 0.43 0.05 -0.83 0.00 0.00 0.00 174.94 174.64 1uw0 s GLY 33 N 0.48 1.87 -0.26 6.18 0.00 0.23 -3.38 107.32 112.44 1uw0 s GLY 33 Ca 0.06 -0.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 1uw0 s GLY 33 CO -0.00 0.05 0.15 1.25 0.00 0.00 0.00 173.10 174.54 1uw0 s LYS 34 N 0.40 3.89 -0.38 2.90 2.20 -1.24 -1.90 119.74 125.61 1uw0 s LYS 34 Ca 0.02 -0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.15 1uw0 s LYS 34 Cb -0.13 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1uw0 s LYS 34 CO 0.01 -0.12 0.24 0.08 -0.36 0.00 0.00 175.35 175.19 1uw0 s VAL 35 N 1.55 4.84 -0.24 4.02 1.01 0.16 -3.68 120.40 128.06 1uw0 s VAL 35 Ca 0.07 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1uw0 s VAL 35 Cb -0.15 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1uw0 s VAL 35 CO 0.08 -0.24 -0.11 -0.69 0.00 0.00 0.00 175.10 174.13 1uw0 s VAL 36 N 1.61 2.00 -0.00 2.92 1.01 -1.14 -0.36 120.40 126.44 1uw0 s VAL 36 Ca 0.03 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 1uw0 s VAL 36 Cb -0.19 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1uw0 s VAL 36 CO 0.08 0.07 1.28 -2.16 0.00 0.00 0.00 175.10 174.37 1uw0 s PRO 37 N 1.21 4.34 -0.30 2.72 0.04 -1.26 -3.16 135.00 138.58 1uw0 s PRO 37 Ca -0.06 1.81 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 1uw0 s PRO 37 Cb -0.18 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 1uw0 s PRO 37 CO -0.07 -0.45 0.13 -0.80 0.04 0.00 0.00 177.00 175.86 1uw0 s ASN 38 N 1.50 5.44 -1.26 6.66 -0.87 -1.16 -5.02 114.94 120.24 1uw0 s ASN 38 Ca 0.60 -0.54 -0.19 0.00 -1.57 0.00 0.00 52.86 51.15 1uw0 s ASN 38 Cb -0.29 -1.97 0.04 0.00 -0.02 0.00 0.00 41.25 39.01 1uw0 s ASN 38 CO 0.25 -0.18 1.75 -2.16 -2.57 0.00 0.00 177.10 174.19 1uw0 s PRO 39 N 1.59 3.70 0.33 -0.60 0.04 -1.26 -4.27 135.00 134.53 1uw0 s PRO 39 Ca 0.04 -1.78 0.00 0.00 0.04 0.00 0.00 61.00 59.30 1uw0 s PRO 39 Cb -0.17 -5.47 0.00 0.00 0.04 0.00 0.00 34.50 28.90 1uw0 s PRO 39 CO 0.05 -2.55 0.00 0.34 0.04 0.00 0.00 177.00 174.88 1uw0 n PHE 40 N 9.48 -3.51 -3.92 0.56 -0.00 -1.26 -5.14 117.46 113.68 1uw0 n PHE 40 Ca 0.47 0.98 -0.23 0.00 -0.00 0.00 0.00 57.45 58.66 1uw0 n PHE 40 Cb 0.46 2.37 -0.02 0.00 -0.00 0.00 0.00 39.48 42.29 1uw0 n PHE 40 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1uw0 s SER 41 N -3.09 6.33 -0.21 -2.13 1.04 -1.26 -5.04 113.70 109.34 1uw0 s SER 41 Ca 0.00 0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.53 1uw0 s SER 41 Cb 0.00 -1.89 -0.20 0.00 0.10 0.00 0.00 66.02 64.03 1uw0 s SER 41 CO 0.00 -0.04 -0.03 -0.62 0.98 0.00 0.00 173.24 173.54 1uw0 n GLU 42 N -1.07 0.67 -0.36 4.02 1.02 -1.26 -4.36 120.64 119.30 1uw0 n GLU 42 Ca -0.08 0.22 0.05 0.00 -0.02 0.00 0.00 57.16 57.33 1uw0 n GLU 42 Cb 0.56 -1.59 0.21 0.00 -0.02 0.00 0.00 31.44 30.60 1uw0 n GLU 42 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1uw0 h SER 43 N -0.15 0.97 -2.95 1.62 0.02 -2.02 -3.41 113.55 107.63 1uw0 h SER 43 Ca -0.53 0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 59.92 1uw0 h SER 43 Cb 1.88 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 1uw0 h SER 43 CO -0.08 0.58 -0.25 -0.83 -1.14 0.00 0.00 176.83 175.12 1uw0 s GLY 44 N -3.40 1.75 0.00 -3.77 0.00 -1.26 -5.04 107.32 95.60 1uw0 s GLY 44 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1uw0 s GLY 44 CO 0.81 -0.68 0.00 0.61 0.00 0.00 0.00 173.10 173.84 1uw0 n GLY 45 N -0.90 -0.04 3.52 0.20 0.00 -1.26 -4.76 105.19 101.94 1uw0 n GLY 45 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.88 4.12 -0.21 1.61 1.01 -1.26 -3.01 116.67 116.06 1uw0 s ASP 46 Ca 0.00 -0.43 -0.02 0.00 0.71 0.00 0.00 52.55 52.81 1uw0 s ASP 46 Cb 0.00 -0.72 0.00 0.00 1.01 0.00 0.00 42.92 43.22 1uw0 s ASP 46 CO 0.00 0.20 -0.10 -0.04 0.21 0.00 0.00 175.17 175.44 1uw0 s MET 47 N -1.95 3.21 -0.14 8.23 -1.94 -1.19 -4.93 119.30 120.60 1uw0 s MET 47 Ca 0.18 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 1uw0 s MET 47 Cb -0.11 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 1uw0 s MET 47 CO 0.10 -0.21 -0.16 0.21 -0.01 0.00 0.00 175.02 174.95 1uw0 s LYS 48 N 1.40 3.25 -0.17 2.03 2.20 -1.25 -2.89 119.74 124.32 1uw0 s LYS 48 Ca 0.05 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 1uw0 s LYS 48 Cb -0.14 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.60 1uw0 s LYS 48 CO -0.07 0.12 -0.12 -1.21 -0.36 0.00 0.00 175.35 173.71 1uw0 s GLU 49 N 0.56 3.30 -0.14 4.03 8.01 -1.24 -4.89 118.70 128.33 1uw0 s GLU 49 Ca -0.10 -0.70 -0.21 0.00 0.01 0.00 0.00 54.97 53.98 1uw0 s GLU 49 Cb -0.16 -2.73 -0.03 0.00 -4.31 0.00 0.00 34.13 26.89 1uw0 s GLU 49 CO 0.04 0.00 0.62 -1.58 0.01 0.00 0.00 175.26 174.35 1uw0 s TRP 50 N 0.88 3.46 0.23 1.61 0.23 -1.26 -3.66 118.94 120.44 1uw0 s TRP 50 Ca -0.03 1.01 -0.08 0.00 -2.03 0.00 0.00 56.10 54.97 1uw0 s TRP 50 Cb -0.15 -2.75 -0.02 0.00 0.03 0.00 0.00 33.47 30.59 1uw0 s TRP 50 CO -0.00 -0.03 0.35 1.52 0.96 0.00 0.00 176.95 179.75 1uw0 s TYR 51 N 1.32 0.70 1.13 -1.98 -0.85 -1.22 -1.28 117.35 115.17 1uw0 s TYR 51 Ca 0.31 -1.00 -0.19 0.00 -0.52 0.00 0.00 57.07 55.67 1uw0 s TYR 51 Cb -0.16 -0.10 0.27 0.00 0.38 0.00 0.00 41.96 42.34 1uw0 s TYR 51 CO 0.12 -0.87 1.23 -1.01 -1.52 0.00 0.00 175.55 173.50 1uw0 s HIS 52 N -4.02 0.69 -0.19 -3.49 3.76 -1.26 -1.81 115.29 108.97 1uw0 s HIS 52 Ca 0.29 0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 55.30 1uw0 s HIS 52 Cb 0.02 -3.86 -0.21 0.00 1.11 0.00 0.00 32.58 29.64 1uw0 s HIS 52 CO 0.11 -3.49 0.31 0.82 -0.85 0.00 0.00 174.74 171.63 1uw0 h ILE 53 N -2.27 1.00 -0.84 0.60 1.08 -1.98 -3.13 117.51 111.97 1uw0 h ILE 53 Ca -0.43 -2.22 0.00 0.00 -0.39 0.00 0.00 64.86 61.82 1uw0 h ILE 53 Cb 1.25 2.40 -0.04 0.00 -3.07 0.00 0.00 36.82 37.35 1uw0 h ILE 53 CO 0.30 0.41 0.53 0.50 -0.69 0.00 0.00 178.15 179.20 1uw0 h LYS 54 N -0.88 1.13 0.00 2.37 3.64 -1.96 0.84 116.57 121.71 1uw0 h LYS 54 Ca -0.31 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1uw0 h LYS 54 Cb 1.35 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1uw0 h LYS 54 CO -0.15 0.77 -0.00 0.00 -2.27 0.00 0.00 179.45 177.80 1uw0 h MET 56 N -0.09 0.44 -0.04 0.00 1.85 -1.39 -2.86 114.93 112.86 1uw0 h MET 56 Ca -0.00 -0.21 -0.04 0.00 -0.61 0.00 0.00 59.70 58.84 1uw0 h MET 56 Cb 0.08 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 1uw0 h MET 56 CO 0.00 0.76 -0.18 0.74 -0.40 0.00 0.00 176.91 177.83 1uw0 h PHE 57 N 0.13 0.06 -0.96 1.39 -1.00 0.79 -2.36 116.94 114.99 1uw0 h PHE 57 Ca 0.04 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1uw0 h PHE 57 Cb 0.64 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.14 1uw0 h PHE 57 CO 0.07 0.23 0.61 0.93 -1.61 0.00 0.00 178.31 178.54 1uw0 h GLU 58 N 0.05 1.29 -0.64 1.51 4.39 0.10 -1.80 114.58 119.49 1uw0 h GLU 58 Ca 0.01 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 1uw0 h GLU 58 Cb 0.35 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1uw0 h GLU 58 CO 0.02 0.87 0.05 -0.22 -1.16 0.00 0.00 179.01 178.58 1uw0 h LYS 59 N 1.31 1.09 -0.75 2.33 1.63 -1.32 -2.74 116.57 118.12 1uw0 h LYS 59 Ca 0.35 -0.32 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1uw0 h LYS 59 Cb -0.11 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.37 1uw0 h LYS 59 CO -0.07 1.04 0.49 -0.07 -3.45 0.00 0.00 179.45 177.39 1uw0 h LEU 60 N 1.01 0.85 -1.56 5.20 4.07 -1.25 -0.17 115.31 123.46 1uw0 h LEU 60 Ca 0.19 -0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.17 1uw0 h LEU 60 Cb 0.51 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 1uw0 h LEU 60 CO 0.02 0.61 0.36 -0.08 -1.08 0.00 0.00 178.44 178.27 1uw0 h GLU 61 N 1.00 0.55 -0.73 1.13 4.81 -1.07 -1.60 114.58 118.67 1uw0 h GLU 61 Ca 0.28 -0.03 -0.38 0.00 -0.13 0.00 0.00 59.36 59.09 1uw0 h GLU 61 Cb -0.10 -0.12 -0.23 0.00 0.63 0.00 0.00 28.75 28.93 1uw0 h GLU 61 CO -0.07 0.37 0.35 0.54 -0.73 0.00 0.00 179.01 179.47 1uw0 n ARG 62 N -4.47 2.09 -4.13 1.92 3.00 -0.46 -4.99 116.66 109.61 1uw0 n ARG 62 Ca 0.07 -3.10 -0.24 0.00 -0.01 0.00 0.00 57.85 54.57 1uw0 n ARG 62 Cb 0.18 -2.03 -0.07 0.00 0.00 0.00 0.00 32.46 30.53 1uw0 n ARG 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uw0 s ALA 63 N -3.29 3.51 0.76 7.54 0.00 -0.20 -5.01 121.76 125.07 1uw0 s ALA 63 Ca 0.52 -1.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.38 1uw0 s ALA 63 Cb 0.45 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 23.09 1uw0 s ALA 63 CO 0.06 -0.05 1.16 1.03 0.00 0.00 0.00 175.76 177.96 1uw0 s ARG 64 N -3.86 2.01 0.00 0.00 1.81 -1.26 -4.96 118.95 112.69 1uw0 s ARG 64 Ca 0.39 1.58 0.01 0.00 -1.72 0.00 0.00 55.73 55.99 1uw0 s ARG 64 Cb 0.01 -1.84 -0.26 0.00 -0.45 0.00 0.00 34.95 32.41 1uw0 s ARG 64 CO 0.22 -1.90 0.84 0.00 -0.68 0.00 0.00 175.30 173.78 1uw0 h ALA 65 N -0.69 0.39 -0.96 2.13 0.00 -1.99 -3.34 119.26 114.80 1uw0 h ALA 65 Ca -0.46 -1.17 0.22 0.00 0.00 0.00 0.00 54.91 53.50 1uw0 h ALA 65 Cb 1.27 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 1uw0 h ALA 65 CO 0.49 1.25 0.62 1.79 0.00 0.00 0.00 179.25 183.41 1uw0 h THR 66 N 0.05 0.64 -3.58 0.00 1.35 -2.04 -3.36 112.91 105.96 1uw0 h THR 66 Ca -0.23 -0.15 -0.66 0.00 -0.55 0.00 0.00 66.41 64.81 1uw0 h THR 66 Cb 1.99 0.15 -0.25 0.00 -1.73 0.00 0.00 68.15 68.31 1uw0 h THR 66 CO 0.14 0.08 -0.64 0.42 -0.25 0.00 0.00 175.52 175.26 1uw0 s THR 67 N -5.49 4.03 0.02 6.82 -4.23 -1.25 -5.10 115.64 110.44 1uw0 s THR 67 Ca -0.09 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 1uw0 s THR 67 Cb 0.24 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 1uw0 s THR 67 CO 0.79 0.29 -0.17 -0.54 -0.54 0.00 0.00 174.62 174.44 1uw0 s LYS 68 N 1.56 2.16 -0.02 3.99 1.02 -1.26 -4.73 119.74 122.45 1uw0 s LYS 68 Ca 0.05 -0.92 0.07 0.00 0.02 0.00 0.00 55.97 55.19 1uw0 s LYS 68 Cb -0.15 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1uw0 s LYS 68 CO 0.02 0.56 -0.23 0.21 -0.92 0.00 0.00 175.35 174.98 1uw0 s LYS 69 N -1.27 1.95 -0.15 1.68 2.47 -1.26 -4.94 119.74 118.21 1uw0 s LYS 69 Ca 0.14 -0.83 -0.08 0.00 -1.56 0.00 0.00 55.97 53.64 1uw0 s LYS 69 Cb -0.10 -1.85 0.03 0.00 -1.46 0.00 0.00 37.83 34.44 1uw0 s LYS 69 CO 0.04 0.48 0.15 -0.89 0.16 0.00 0.00 175.35 175.30 1uw0 n ILE 70 N 2.57 -9.45 -4.49 5.43 5.41 -1.26 -4.99 119.36 112.58 1uw0 n ILE 70 Ca -0.16 1.91 -0.34 0.00 1.00 0.00 0.00 62.75 65.16 1uw0 n ILE 70 Cb 0.52 -5.46 -0.12 0.00 -0.71 0.00 0.00 39.64 33.87 1uw0 n ILE 70 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1uw0 s GLU 71 N -0.64 3.26 1.77 0.38 2.12 -1.26 -5.02 118.70 119.31 1uw0 s GLU 71 Ca -0.17 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1uw0 s GLU 71 Cb 0.01 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.63 1uw0 s GLU 71 CO 0.57 0.44 0.00 -0.25 -0.54 0.00 0.00 175.26 175.48 1uw0 n ASP 72 N 2.91 -3.31 -2.69 -1.70 8.00 -1.26 -4.76 116.55 113.74 1uw0 n ASP 72 Ca -0.18 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.25 1uw0 n ASP 72 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1uw0 n ASP 72 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1uw0 n LEU 73 N 0.00 0.00 -3.71 0.64 7.94 -1.26 -4.74 117.00 115.87 1uw0 n LEU 73 Ca 0.00 -0.77 -0.28 0.00 -1.11 0.00 0.00 56.01 53.85 1uw0 n LEU 73 Cb 0.00 0.05 -0.02 0.00 0.53 0.00 0.00 43.42 43.98 1uw0 n LEU 73 CO 0.00 -0.20 -0.04 0.35 -1.11 0.00 0.00 177.39 176.39 1uw0 n THR 74 N -0.51 -0.84 -0.03 1.96 -2.24 -1.26 -4.83 114.28 106.53 1uw0 n THR 74 Ca -0.04 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.68 1uw0 n THR 74 Cb 0.16 -1.51 -0.02 0.00 -2.10 0.00 0.00 70.33 66.86 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 -3.90 0.28 -3.07 -0.78 2.13 -1.26 -4.93 120.64 109.11 1uw0 n GLU 75 Ca 0.03 0.11 -0.17 0.00 0.66 0.00 0.00 57.16 57.80 1uw0 n GLU 75 Cb 0.51 -0.98 -0.01 0.00 0.27 0.00 0.00 31.44 31.23 1uw0 n GLU 75 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1uw0 n LEU 76 N -3.93 -0.14 -3.83 4.31 -0.00 -1.26 -5.11 117.00 107.04 1uw0 n LEU 76 Ca -0.11 -4.60 -0.12 0.00 -0.00 0.00 0.00 56.01 51.19 1uw0 n LEU 76 Cb 0.34 0.76 -0.12 0.00 -0.00 0.00 0.00 43.42 44.39 1uw0 n LEU 76 CO 0.09 2.19 -0.21 -1.83 -0.00 0.00 0.00 177.39 177.64 1uw0 s GLU 77 N -1.50 0.19 -0.87 1.47 -1.05 -1.26 -3.54 118.70 112.14 1uw0 s GLU 77 Ca 0.35 0.14 -0.21 0.00 -0.15 0.00 0.00 54.97 55.10 1uw0 s GLU 77 Cb 0.30 0.09 -0.13 0.00 -0.44 0.00 0.00 34.13 33.95 1uw0 s GLU 77 CO -0.09 -0.03 1.96 0.41 0.95 0.00 0.00 175.26 178.47 1uw0 n GLY 78 N 2.88 2.77 0.10 -3.83 0.00 -1.25 -4.53 105.19 101.33 1uw0 n GLY 78 Ca -0.13 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 44.63 1uw0 n GLY 78 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1uw0 n TRP 79 N 7.46 0.94 -0.22 1.61 4.27 -1.26 -3.92 117.44 126.31 1uw0 n TRP 79 Ca 0.50 0.30 0.19 0.00 -3.89 0.00 0.00 57.50 54.59 1uw0 n TRP 79 Cb 0.40 -1.02 0.53 0.00 -1.36 0.00 0.00 31.31 29.86 1uw0 n TRP 79 CO 0.00 0.00 0.00 1.49 -2.29 0.00 0.00 177.69 176.89 1uw0 h GLU 80 N 0.00 0.37 0.19 -2.67 4.81 -2.00 -1.38 114.58 113.90 1uw0 h GLU 80 Ca -0.10 -0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 58.77 1uw0 h GLU 80 Cb 1.35 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.66 1uw0 h GLU 80 CO 0.03 0.24 -1.63 0.93 -0.73 0.00 0.00 179.01 177.85 1uw0 h GLU 81 N 0.38 0.41 -6.23 1.92 4.39 -1.96 -3.47 114.58 110.01 1uw0 h GLU 81 Ca 0.44 -0.69 -0.28 0.00 0.34 0.00 0.00 59.36 59.17 1uw0 h GLU 81 Cb 1.13 0.26 0.15 0.00 -0.10 0.00 0.00 28.75 30.20 1uw0 h GLU 81 CO -0.15 1.31 -0.42 -0.11 -1.16 0.00 0.00 179.01 178.48 1uw0 n LEU 82 N -3.60 -1.42 -4.94 1.33 7.94 -0.52 -4.99 117.00 110.80 1uw0 n LEU 82 Ca -0.21 -0.39 -0.21 0.00 -1.11 0.00 0.00 56.01 54.09 1uw0 n LEU 82 Cb 1.08 -0.82 -0.02 0.00 0.53 0.00 0.00 43.42 44.18 1uw0 n LEU 82 CO 0.54 -3.36 -0.06 -1.61 -1.11 0.00 0.00 177.39 171.79 1uw0 s GLU 83 N -3.62 3.29 0.20 1.96 2.02 -1.26 -4.96 118.70 116.33 1uw0 s GLU 83 Ca 0.42 -0.85 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1uw0 s GLU 83 Cb -0.07 -2.81 0.12 0.00 0.10 0.00 0.00 34.13 31.47 1uw0 s GLU 83 CO 0.41 0.39 1.84 0.22 0.02 0.00 0.00 175.26 178.14 1uw0 h ASP 84 N 1.21 0.82 -0.69 -0.19 3.58 -1.94 0.66 116.42 119.87 1uw0 h ASP 84 Ca -0.51 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 56.86 1uw0 h ASP 84 Cb 1.23 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 42.05 1uw0 h ASP 84 CO 0.60 0.63 0.31 0.78 -2.88 0.00 0.00 179.24 178.68 1uw0 h ASN 85 N 0.93 0.92 -0.50 2.28 4.21 -2.00 -1.13 115.58 120.29 1uw0 h ASN 85 Ca 0.25 -0.15 -0.11 0.00 1.21 0.00 0.00 56.30 57.50 1uw0 h ASN 85 Cb -0.05 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 36.90 1uw0 h ASN 85 CO -0.05 0.81 -0.13 -0.33 -1.29 0.00 0.00 177.43 176.44 1uw0 h GLU 86 N 0.96 0.98 -0.83 0.81 5.08 -1.85 -2.88 114.58 116.85 1uw0 h GLU 86 Ca 0.23 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1uw0 h GLU 86 Cb 0.15 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1uw0 h GLU 86 CO -0.03 1.05 0.47 -0.22 -1.00 0.00 0.00 179.01 179.28 1uw0 h LYS 87 N 0.84 1.14 -0.99 2.33 3.64 -0.51 -2.31 116.57 120.71 1uw0 h LYS 87 Ca 0.13 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1uw0 h LYS 87 Cb 0.70 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 1uw0 h LYS 87 CO 0.05 0.82 0.65 0.93 -2.27 0.00 0.00 179.45 179.63 1uw0 h GLU 88 N 1.15 1.22 -0.56 1.90 4.39 -1.00 -1.64 114.58 120.03 1uw0 h GLU 88 Ca 0.29 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1uw0 h GLU 88 Cb 0.01 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.35 1uw0 h GLU 88 CO -0.05 0.81 0.34 1.96 -1.16 0.00 0.00 179.01 180.91 1uw0 h GLN 89 N 1.25 0.75 -0.39 2.33 4.20 -1.31 -2.18 115.11 119.77 1uw0 h GLN 89 Ca 0.39 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.89 1uw0 h GLN 89 Cb -0.01 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1uw0 h GLN 89 CO -0.12 0.52 -0.34 0.82 -0.67 0.00 0.00 178.83 179.04 1uw0 h ILE 90 N 0.77 1.27 -0.85 2.54 1.08 -1.23 -2.98 117.51 118.11 1uw0 h ILE 90 Ca 0.20 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 63.15 1uw0 h ILE 90 Cb -0.04 1.34 -0.04 0.00 -3.07 0.00 0.00 36.82 35.01 1uw0 h ILE 90 CO -0.04 0.51 0.48 0.71 -0.69 0.00 0.00 178.15 179.12 1uw0 h THR 91 N 0.74 1.24 -0.77 -0.27 1.35 -1.01 -1.95 112.91 112.25 1uw0 h THR 91 Ca 0.07 -0.58 0.06 0.00 -0.55 0.00 0.00 66.41 65.41 1uw0 h THR 91 Cb 0.92 0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 67.37 1uw0 h THR 91 CO 0.08 0.27 0.50 -0.61 -0.25 0.00 0.00 175.52 175.52 1uw0 h GLN 92 N 1.18 0.80 0.31 4.72 5.75 -1.28 -0.62 115.11 125.97 1uw0 h GLN 92 Ca 0.30 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1uw0 h GLN 92 Cb 0.00 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.37 1uw0 h GLN 92 CO -0.05 0.53 -0.17 0.45 -2.65 0.00 0.00 178.83 176.94 1uw0 h HIS 93 N 0.83 -0.45 -0.69 3.99 3.86 -1.29 0.83 115.15 122.23 1uw0 h HIS 93 Ca 0.33 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1uw0 h HIS 93 Cb 0.23 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1uw0 h HIS 93 CO -0.00 -0.28 0.25 0.82 0.86 0.00 0.00 177.93 179.58 1uw0 h ILE 94 N -0.45 1.24 -0.30 2.45 5.03 -1.41 0.12 117.51 124.19 1uw0 h ILE 94 Ca -0.03 -0.80 -0.14 0.00 -0.12 0.00 0.00 64.86 63.77 1uw0 h ILE 94 Cb 0.37 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 34.60 1uw0 h ILE 94 CO 0.04 0.32 -0.38 0.00 -0.68 0.00 0.00 178.15 177.45 1uw0 h ALA 95 N 1.27 0.77 -0.28 1.87 0.00 -0.76 0.26 119.26 122.40 1uw0 h ALA 95 Ca 0.23 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1uw0 h ALA 95 Cb 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1uw0 h ALA 95 CO -0.01 0.65 -0.50 -0.44 0.00 0.00 0.00 179.25 178.95 1uw0 h ASP 96 N 0.58 0.84 0.74 0.00 5.19 0.11 -3.19 116.42 120.68 1uw0 h ASP 96 Ca 0.05 -0.43 -0.23 0.00 -0.62 0.00 0.00 57.03 55.80 1uw0 h ASP 96 Cb 0.91 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1uw0 h ASP 96 CO 0.08 1.19 -1.06 0.25 -3.12 0.00 0.00 179.24 176.58 1uw0 h LEU 97 N 0.60 0.24 -5.28 1.55 5.85 -0.90 -3.33 115.31 114.04 1uw0 h LEU 97 Ca 0.03 -0.24 -0.71 0.00 0.84 0.00 0.00 57.88 57.80 1uw0 h LEU 97 Cb 1.07 -0.08 -0.22 0.00 0.37 0.00 0.00 40.66 41.80 1uw0 h LEU 97 CO 0.11 1.14 1.11 -0.24 -0.34 0.00 0.00 178.44 180.22 1uw0 n SER 98 N -3.51 7.31 -2.07 1.25 2.88 0.92 -4.59 113.62 115.81 1uw0 n SER 98 Ca -0.04 -3.53 -0.23 0.00 -1.33 0.00 0.00 58.87 53.74 1uw0 n SER 98 Cb 0.94 -1.18 0.02 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.31 4.77 -3.89 -3.46 7.64 -1.23 -4.87 113.62 112.89 1uw0 n SER 99 Ca 0.52 -3.67 -0.17 0.00 1.01 0.00 0.00 58.87 56.57 1uw0 n SER 99 Cb 0.32 -0.35 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 1uw0 n SER 99 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1uw0 s LYS 100 N -3.61 0.44 -0.28 1.43 2.47 -1.26 -5.12 119.74 113.81 1uw0 s LYS 100 Ca 0.50 -0.07 -0.02 0.00 -1.56 0.00 0.00 55.97 54.82 1uw0 s LYS 100 Cb 0.41 -0.49 0.09 0.00 -1.46 0.00 0.00 37.83 36.37 1uw0 s LYS 100 CO 0.03 -0.02 0.10 0.00 0.16 0.00 0.00 175.35 175.62 1uw0 s ALA 101 N 0.49 1.13 -0.35 3.13 0.00 -1.26 -5.01 121.76 119.88 1uw0 s ALA 101 Ca -0.05 -1.28 0.15 0.00 0.00 0.00 0.00 51.96 50.77 1uw0 s ALA 101 Cb -0.09 -1.46 0.41 0.00 0.00 0.00 0.00 23.12 21.98 1uw0 s ALA 101 CO -0.01 -1.56 0.85 0.00 0.00 0.00 0.00 175.76 175.05 1uw0 n ALA 102 N 5.02 2.85 -2.00 0.00 0.00 -1.26 -5.01 120.51 120.11 1uw0 n ALA 102 Ca -0.05 -3.32 -0.03 0.00 0.00 0.00 0.00 53.44 50.05 1uw0 n ALA 102 Cb 0.43 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.08 -0.90 3.28 0.00 0.00 -1.26 -5.07 105.19 101.31 1uw0 n GLY 103 Ca 0.18 0.37 -0.23 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.71 1.66 1.08 2.61 -4.23 -1.26 -5.15 115.64 108.65 1uw0 s THR 104 Ca 0.08 -1.55 -0.17 0.00 -1.18 0.00 0.00 61.69 58.88 1uw0 s THR 104 Cb -0.02 -1.53 0.23 0.00 1.34 0.00 0.00 72.50 72.52 1uw0 s THR 104 CO 0.28 -0.10 1.16 -2.16 -0.54 0.00 0.00 174.62 173.26 1uw0 s PRO 105 N -1.95 -0.28 -0.53 3.99 0.04 -1.26 -5.03 135.00 129.97 1uw0 s PRO 105 Ca 0.06 -0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.14 1uw0 s PRO 105 Cb -0.10 -1.70 0.23 0.00 0.04 0.00 0.00 34.50 32.97 1uw0 s PRO 105 CO 0.04 -3.10 0.59 1.63 0.04 0.00 0.00 177.00 176.20 1uw0 n LYS 106 N -4.33 1.50 -3.81 4.56 5.02 -1.26 -4.90 118.16 114.95 1uw0 n LYS 106 Ca 0.12 -3.94 -0.29 0.00 -2.02 0.00 0.00 58.31 52.18 1uw0 n LYS 106 Cb 0.59 -1.80 0.02 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.42 -4.91 -3.73 1.97 4.81 -1.26 -4.96 118.16 111.49 1uw0 n LYS 107 Ca 0.25 0.57 -0.15 0.00 -0.87 0.00 0.00 58.31 58.12 1uw0 n LYS 107 Cb 0.46 -5.42 -0.15 0.00 0.02 0.00 0.00 35.03 29.93 1uw0 n LYS 107 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1uw0 s LYS 108 N -6.51 0.04 -0.30 1.64 2.20 -1.26 -5.12 119.74 110.43 1uw0 s LYS 108 Ca 0.61 0.38 0.03 0.00 -0.36 0.00 0.00 55.97 56.64 1uw0 s LYS 108 Cb -0.31 -0.25 0.08 0.00 -1.51 0.00 0.00 37.83 35.84 1uw0 s LYS 108 CO 0.76 -0.21 -0.03 0.00 -0.36 0.00 0.00 175.35 175.51 1uw0 s ALA 109 N 1.50 2.74 -0.31 3.13 0.00 -1.26 -5.00 121.76 122.56 1uw0 s ALA 109 Ca -0.05 -2.16 -0.00 0.00 0.00 0.00 0.00 51.96 49.74 1uw0 s ALA 109 Cb -0.12 -1.79 0.10 0.00 0.00 0.00 0.00 23.12 21.31 1uw0 s ALA 109 CO -0.05 -1.45 0.09 0.08 0.00 0.00 0.00 175.76 174.43 1uw0 s VAL 110 N 1.00 1.09 0.01 0.00 1.01 -1.26 -5.11 120.40 117.14 1uw0 s VAL 110 Ca 0.01 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.45 1uw0 s VAL 110 Cb -0.20 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1uw0 s VAL 110 CO -0.06 -0.67 -0.03 0.68 0.00 0.00 0.00 175.10 175.02 1uw0 s VAL 111 N 1.51 0.23 -0.43 2.92 -7.23 -1.26 -5.12 120.40 111.01 1uw0 s VAL 111 Ca 0.10 -0.38 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 1uw0 s VAL 111 Cb -0.17 -0.24 0.13 0.00 0.56 0.00 0.00 36.38 36.65 1uw0 s VAL 111 CO -0.23 -0.10 0.23 -1.10 -0.31 0.00 0.00 175.10 173.59 1uw0 s GLN 112 N -0.51 1.28 -0.16 4.82 -1.52 -1.26 -5.09 119.66 117.22 1uw0 s GLN 112 Ca -0.03 -1.98 0.01 0.00 -1.95 0.00 0.00 55.36 51.41 1uw0 s GLN 112 Cb -0.04 -2.35 0.01 0.00 -0.22 0.00 0.00 33.01 30.41 1uw0 s GLN 112 CO -0.00 -1.15 -0.19 0.00 -0.25 0.00 0.00 175.29 173.70 1uw0 s ALA 113 N 0.40 2.36 -0.31 6.09 0.00 -1.26 -5.09 121.76 123.95 1uw0 s ALA 113 Ca 0.17 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1uw0 s ALA 113 Cb -0.24 -1.15 0.09 0.00 0.00 0.00 0.00 23.12 21.82 1uw0 s ALA 113 CO -0.00 -0.16 0.03 0.15 0.00 0.00 0.00 175.76 175.78 1uw0 s LYS 114 N 1.01 1.39 -0.23 0.00 -0.14 -1.26 -5.08 119.74 115.43 1uw0 s LYS 114 Ca -0.02 -1.52 0.02 0.00 -1.36 0.00 0.00 55.97 53.09 1uw0 s LYS 114 Cb -0.15 -2.81 0.05 0.00 -1.68 0.00 0.00 37.83 33.25 1uw0 s LYS 114 CO -0.05 -0.87 -0.10 -1.17 -0.76 0.00 0.00 175.35 172.40 1uw0 s LEU 115 N 1.15 2.84 0.00 3.17 2.96 -1.26 -5.11 118.68 122.44 1uw0 s LEU 115 Ca 0.06 -1.16 -0.03 0.00 -0.22 0.00 0.00 54.13 52.79 1uw0 s LEU 115 Cb -0.19 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1uw0 s LEU 115 CO -0.11 -0.17 0.05 0.28 -1.32 0.00 0.00 176.35 175.07 1uw0 s THR 116 N 1.26 0.07 0.00 3.68 -1.32 -1.26 -5.37 115.64 112.70 1uw0 s THR 116 Ca -0.05 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1uw0 s THR 116 Cb -0.18 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 1uw0 s THR 116 CO -0.07 -0.31 0.00 0.41 -2.21 0.00 0.00 174.62 172.44