#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 3.18 -3.29 -5.12 0.00 -1.26 -5.07 120.51 108.95 1uw0 n ALA 2 Ca 0.00 -3.01 -0.13 0.00 0.00 0.00 0.00 53.44 50.30 1uw0 n ALA 2 Cb 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.75 0.17 0.02 0.00 2.12 -1.26 -5.16 118.70 110.84 1uw0 s GLU 3 Ca 0.33 0.30 -0.07 0.00 0.36 0.00 0.00 54.97 55.89 1uw0 s GLU 3 Cb 0.34 0.00 -0.00 0.00 0.26 0.00 0.00 34.13 34.74 1uw0 s GLU 3 CO -0.02 -0.07 0.14 1.14 -0.54 0.00 0.00 175.26 175.91 1uw0 s GLN 4 N 0.49 0.54 -0.02 4.30 -2.07 -1.26 -4.87 119.66 116.77 1uw0 s GLN 4 Ca -0.03 -0.50 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 1uw0 s GLN 4 Cb -0.05 0.22 0.02 0.00 -1.09 0.00 0.00 33.01 32.12 1uw0 s GLN 4 CO -0.02 -0.14 0.02 1.03 -1.32 0.00 0.00 175.29 174.86 1uw0 s ARG 5 N -1.81 0.01 -0.01 9.60 1.81 -1.22 -5.04 118.95 122.29 1uw0 s ARG 5 Ca -0.11 0.14 0.06 0.00 -1.72 0.00 0.00 55.73 54.09 1uw0 s ARG 5 Cb -0.05 -0.24 -0.01 0.00 -0.45 0.00 0.00 34.95 34.20 1uw0 s ARG 5 CO -0.00 -0.13 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.23 1uw0 s PHE 6 N 0.87 1.70 0.24 -0.53 0.08 -1.26 -0.37 117.98 118.71 1uw0 s PHE 6 Ca -0.07 -0.32 0.06 0.00 0.12 0.00 0.00 56.93 56.71 1uw0 s PHE 6 Cb -0.11 -1.10 -0.05 0.00 -0.57 0.00 0.00 43.02 41.19 1uw0 s PHE 6 CO -0.02 -0.03 -0.08 0.00 -0.10 0.00 0.00 175.22 174.99 1uw0 s VAL 8 N -3.10 0.61 0.04 0.00 -7.23 -0.78 0.92 120.40 110.87 1uw0 s VAL 8 Ca 0.26 -0.23 -0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1uw0 s VAL 8 Cb 0.03 -0.59 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1uw0 s VAL 8 CO 0.09 0.22 -0.04 -1.81 -0.31 0.00 0.00 175.10 173.25 1uw0 s ASP 9 N 0.51 0.48 -0.05 4.85 1.01 0.12 -4.27 116.67 119.31 1uw0 s ASP 9 Ca -0.07 -0.77 -0.03 0.00 0.71 0.00 0.00 52.55 52.39 1uw0 s ASP 9 Cb -0.11 0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.92 1uw0 s ASP 9 CO 0.00 -0.44 0.12 -0.31 0.21 0.00 0.00 175.17 174.75 1uw0 s TYR 10 N -2.73 3.44 0.34 4.23 2.02 -1.26 0.63 117.35 124.02 1uw0 s TYR 10 Ca -0.03 0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.73 1uw0 s TYR 10 Cb -0.01 -1.83 -0.12 0.00 -0.40 0.00 0.00 41.96 39.60 1uw0 s TYR 10 CO -0.05 0.63 1.46 0.00 -1.57 0.00 0.00 175.55 176.02 1uw0 n ALA 11 N 1.50 2.05 0.10 3.71 0.00 -0.77 -4.91 120.51 122.18 1uw0 n ALA 11 Ca -0.15 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1uw0 n ALA 11 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1uw0 n ALA 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uw0 n LYS 12 N 1.01 0.00 -3.41 0.00 5.02 -1.26 -4.40 118.16 115.12 1uw0 n LYS 12 Ca 0.05 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.12 1uw0 n LYS 12 Cb 0.37 -0.25 -0.10 0.00 -0.02 0.00 0.00 35.03 35.03 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 -2.00 0.50 0.00 1.97 6.06 -1.26 -4.94 118.95 119.28 1uw0 s ARG 13 Ca 0.00 -0.79 0.00 0.00 -2.50 0.00 0.00 55.73 52.44 1uw0 s ARG 13 Cb 0.00 -0.90 0.00 0.00 0.06 0.00 0.00 34.95 34.11 1uw0 s ARG 13 CO 0.00 -1.15 0.00 0.41 -2.50 0.00 0.00 175.30 172.06 1uw0 n GLY 14 N 4.52 4.87 3.51 8.12 0.00 -1.26 -5.14 105.19 119.81 1uw0 n GLY 14 Ca 0.07 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.30 3.05 0.01 2.61 -4.23 -1.26 -4.73 115.64 109.80 1uw0 s THR 15 Ca 0.00 -1.21 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1uw0 s THR 15 Cb 0.00 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 1uw0 s THR 15 CO 0.00 0.25 0.03 0.00 -0.54 0.00 0.00 174.62 174.36 1uw0 s ALA 16 N -1.04 -0.06 0.02 3.99 0.00 -1.15 -4.89 121.76 118.62 1uw0 s ALA 16 Ca 0.17 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 1uw0 s ALA 16 Cb -0.11 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.04 1uw0 s ALA 16 CO 0.08 -0.14 1.48 0.20 0.00 0.00 0.00 175.76 177.38 1uw0 s GLY 17 N -1.11 1.76 0.21 0.00 0.00 -1.26 0.10 107.32 107.02 1uw0 s GLY 17 Ca -0.12 0.97 -0.31 0.00 0.00 0.00 0.00 44.72 45.25 1uw0 s GLY 17 CO -0.00 2.64 1.66 0.00 0.00 0.00 0.00 173.10 177.39 1uw0 s LYS 19 N 0.83 2.99 -1.39 0.00 -0.14 -1.20 -2.77 119.74 118.06 1uw0 s LYS 19 Ca 0.71 2.07 -0.04 0.00 -1.36 0.00 0.00 55.97 57.35 1uw0 s LYS 19 Cb -0.48 -2.08 0.02 0.00 -1.68 0.00 0.00 37.83 33.61 1uw0 s LYS 19 CO 0.35 -1.26 0.71 1.63 -0.76 0.00 0.00 175.35 176.02 1uw0 n LYS 20 N -1.35 -4.68 -3.53 1.68 5.02 -1.26 -4.86 118.16 109.17 1uw0 n LYS 20 Ca 0.12 0.56 -0.13 0.00 -2.02 0.00 0.00 58.31 56.85 1uw0 n LYS 20 Cb 0.47 -5.12 -0.04 0.00 -0.02 0.00 0.00 35.03 30.32 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 0.48 2.88 -2.92 0.00 4.81 -1.26 -4.67 118.16 117.47 1uw0 n LYS 22 Ca -0.13 -3.63 -0.08 0.00 -0.87 0.00 0.00 58.31 53.59 1uw0 n LYS 22 Cb 0.59 -2.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.34 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 -0.64 0.22 -4.18 1.64 2.13 -1.26 -5.07 120.64 113.48 1uw0 n GLU 23 Ca 0.54 -1.44 -0.14 0.00 0.66 0.00 0.00 57.16 56.78 1uw0 n GLU 23 Cb 0.44 1.23 -0.11 0.00 0.27 0.00 0.00 31.44 33.27 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 -2.55 0.86 -0.38 5.31 -2.85 -1.26 -2.17 119.74 116.71 1uw0 s LYS 24 Ca 0.17 -1.20 -0.17 0.00 -1.00 0.00 0.00 55.97 53.77 1uw0 s LYS 24 Cb 0.01 -0.50 0.00 0.00 -2.06 0.00 0.00 37.83 35.27 1uw0 s LYS 24 CO 0.12 0.07 0.42 0.42 0.10 0.00 0.00 175.35 176.48 1uw0 s ILE 25 N -2.65 5.11 0.30 3.79 1.01 0.29 -4.78 121.20 124.26 1uw0 s ILE 25 Ca 0.07 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.73 1uw0 s ILE 25 Cb -0.01 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1uw0 s ILE 25 CO -0.00 -0.25 0.18 -0.69 0.00 0.00 0.00 174.94 174.17 1uw0 s VAL 26 N 2.14 3.66 0.08 2.92 1.01 -1.26 -2.96 120.40 125.99 1uw0 s VAL 26 Ca 0.13 -1.55 -0.36 0.00 0.00 0.00 0.00 61.98 60.21 1uw0 s VAL 26 Cb -0.17 -3.14 -0.19 0.00 0.00 0.00 0.00 36.38 32.89 1uw0 s VAL 26 CO 0.13 -0.26 0.95 0.29 0.00 0.00 0.00 175.10 176.21 1uw0 n LYS 27 N -1.19 0.20 0.00 2.72 5.02 -1.26 -2.59 118.16 121.06 1uw0 n LYS 27 Ca -0.05 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1uw0 n LYS 27 Cb 0.59 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 1.74 0.81 3.39 0.72 0.00 -1.26 -5.05 105.19 105.55 1uw0 n GLY 28 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 2.89 0.03 1.61 1.01 -1.07 -4.97 120.40 117.90 1uw0 s VAL 29 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1uw0 s VAL 29 Cb 0.00 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1uw0 s VAL 29 CO 0.00 0.56 0.74 0.00 0.00 0.00 0.00 175.10 176.40 1uw0 s ARG 31 N -0.04 2.82 -0.18 0.00 0.52 0.21 -4.49 118.95 117.79 1uw0 s ARG 31 Ca 0.37 -0.74 -0.07 0.00 -0.52 0.00 0.00 55.73 54.78 1uw0 s ARG 31 Cb -0.20 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1uw0 s ARG 31 CO 0.22 0.43 0.05 0.42 0.02 0.00 0.00 175.30 176.43 1uw0 s ILE 32 N -0.23 4.62 -0.18 1.52 1.01 -1.26 0.10 121.20 126.79 1uw0 s ILE 32 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 1uw0 s ILE 32 Cb -0.13 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1uw0 s ILE 32 CO 0.03 0.46 0.09 -0.83 0.00 0.00 0.00 174.94 174.69 1uw0 s GLY 33 N 0.43 1.98 -0.29 6.18 0.00 0.26 -3.30 107.32 112.59 1uw0 s GLY 33 Ca 0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 43.97 1uw0 s GLY 33 CO 0.01 0.00 0.04 1.25 0.00 0.00 0.00 173.10 174.40 1uw0 s LYS 34 N 0.13 2.87 -0.48 2.90 2.20 -1.21 0.10 119.74 126.26 1uw0 s LYS 34 Ca 0.07 -0.99 -0.20 0.00 -0.36 0.00 0.00 55.97 54.49 1uw0 s LYS 34 Cb -0.12 -3.28 0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1uw0 s LYS 34 CO -0.00 -0.50 0.65 0.08 -0.36 0.00 0.00 175.35 175.22 1uw0 s VAL 35 N 1.42 4.83 -0.10 4.02 1.01 0.50 -3.90 120.40 128.17 1uw0 s VAL 35 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1uw0 s VAL 35 Cb -0.18 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.95 1uw0 s VAL 35 CO 0.01 -0.73 -0.17 0.54 0.00 0.00 0.00 175.10 174.75 1uw0 s VAL 36 N 2.79 1.63 0.26 2.92 0.11 -1.11 -3.39 120.40 123.61 1uw0 s VAL 36 Ca 0.19 -0.74 -0.29 0.00 -2.93 0.00 0.00 61.98 58.21 1uw0 s VAL 36 Cb -0.16 -1.46 -0.09 0.00 -1.53 0.00 0.00 36.38 33.14 1uw0 s VAL 36 CO 0.15 0.46 1.13 -2.16 -3.33 0.00 0.00 175.10 171.36 1uw0 s PRO 37 N 0.77 4.60 -0.28 1.54 0.04 -1.26 -3.37 135.00 137.04 1uw0 s PRO 37 Ca -0.11 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 1uw0 s PRO 37 Cb -0.16 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1uw0 s PRO 37 CO 0.02 0.13 0.14 1.21 0.04 0.00 0.00 177.00 178.54 1uw0 s ASN 38 N -0.66 5.56 -1.22 6.66 2.47 -1.26 -5.01 114.94 121.48 1uw0 s ASN 38 Ca 0.46 -0.23 -0.21 0.00 0.42 0.00 0.00 52.86 53.30 1uw0 s ASN 38 Cb -0.32 -2.02 -0.04 0.00 -1.45 0.00 0.00 41.25 37.42 1uw0 s ASN 38 CO 0.41 -0.09 1.87 -2.16 -3.72 0.00 0.00 177.10 173.41 1uw0 s PRO 39 N 1.67 2.98 0.35 0.43 0.04 -1.26 -4.18 135.00 135.02 1uw0 s PRO 39 Ca 0.06 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 59.66 1uw0 s PRO 39 Cb -0.16 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1uw0 s PRO 39 CO 0.07 -3.43 0.00 0.34 0.04 0.00 0.00 177.00 174.02 1uw0 n PHE 40 N 12.45 -3.43 -4.22 0.56 -0.00 -1.26 -5.14 117.46 116.42 1uw0 n PHE 40 Ca 0.46 0.95 -0.25 0.00 -0.00 0.00 0.00 57.45 58.61 1uw0 n PHE 40 Cb 0.46 2.17 -0.07 0.00 -0.00 0.00 0.00 39.48 42.04 1uw0 n PHE 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1uw0 s SER 41 N -3.51 4.79 -0.23 -2.13 0.01 -1.26 -5.06 113.70 106.32 1uw0 s SER 41 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1uw0 s SER 41 Cb 0.00 -1.01 -0.19 0.00 0.21 0.00 0.00 66.02 65.03 1uw0 s SER 41 CO 0.00 0.05 -0.09 -0.62 0.41 0.00 0.00 173.24 172.99 1uw0 n GLU 42 N -0.44 0.68 -0.31 12.44 1.02 -1.26 -4.39 120.64 128.37 1uw0 n GLU 42 Ca -0.09 0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 1uw0 n GLU 42 Cb 0.56 -1.56 0.27 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.02 0.85 -2.72 1.62 0.02 -2.02 -3.42 113.55 107.90 1uw0 h SER 43 Ca -0.54 0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 60.19 1uw0 h SER 43 Cb 1.94 -0.15 0.12 0.00 0.14 0.00 0.00 62.40 64.44 1uw0 h SER 43 CO -0.05 0.49 0.11 0.61 -1.14 0.00 0.00 176.83 176.85 1uw0 n GLY 44 N -1.39 -2.39 0.00 -3.77 0.00 -1.26 -5.07 105.19 91.31 1uw0 n GLY 44 Ca 0.16 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.58 1.18 3.14 -0.02 0.00 -1.26 -5.03 105.19 101.62 1uw0 n GLY 45 Ca 0.09 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 1.07 1.57 0.10 1.61 1.11 -1.26 -3.99 116.67 116.87 1uw0 s ASP 46 Ca 0.00 -0.48 0.08 0.00 0.18 0.00 0.00 52.55 52.33 1uw0 s ASP 46 Cb 0.00 -0.08 -0.04 0.00 1.07 0.00 0.00 42.92 43.87 1uw0 s ASP 46 CO 0.00 -0.00 -0.17 -0.32 1.18 0.00 0.00 175.17 175.86 1uw0 s MET 47 N -1.24 1.89 0.07 8.23 1.75 -1.22 -4.92 119.30 123.87 1uw0 s MET 47 Ca 0.00 -1.12 0.06 0.00 -1.25 0.00 0.00 55.69 53.38 1uw0 s MET 47 Cb -0.08 -2.16 -0.03 0.00 2.84 0.00 0.00 34.83 35.40 1uw0 s MET 47 CO 0.01 0.50 -0.16 -1.59 -0.65 0.00 0.00 175.02 173.13 1uw0 s LYS 48 N -2.02 0.93 0.10 4.11 -2.85 -1.26 -2.75 119.74 115.99 1uw0 s LYS 48 Ca 0.18 -0.94 0.04 0.00 -1.00 0.00 0.00 55.97 54.24 1uw0 s LYS 48 Cb -0.11 -0.99 -0.04 0.00 -2.06 0.00 0.00 37.83 34.64 1uw0 s LYS 48 CO 0.10 0.23 -0.11 -1.21 0.10 0.00 0.00 175.35 174.46 1uw0 s GLU 49 N -1.60 0.87 0.22 1.78 2.02 -1.25 -4.89 118.70 115.85 1uw0 s GLU 49 Ca 0.01 -1.17 0.02 0.00 0.02 0.00 0.00 54.97 53.84 1uw0 s GLU 49 Cb -0.09 -0.59 -0.04 0.00 0.10 0.00 0.00 34.13 33.51 1uw0 s GLU 49 CO 0.02 0.09 0.38 -1.58 0.02 0.00 0.00 175.26 174.20 1uw0 s TRP 50 N -2.41 3.48 0.28 1.61 0.52 -1.26 -3.29 118.94 117.87 1uw0 s TRP 50 Ca 0.06 0.19 0.02 0.00 0.02 0.00 0.00 56.10 56.39 1uw0 s TRP 50 Cb -0.03 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1uw0 s TRP 50 CO 0.00 0.39 0.14 0.71 0.02 0.00 0.00 176.95 178.22 1uw0 s TYR 51 N -1.93 1.53 0.03 -1.98 2.02 -1.21 -3.21 117.35 112.61 1uw0 s TYR 51 Ca 0.36 -1.34 -0.00 0.00 -0.37 0.00 0.00 57.07 55.73 1uw0 s TYR 51 Cb -0.10 -0.82 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1uw0 s TYR 51 CO 0.30 -0.51 0.04 0.72 -1.57 0.00 0.00 175.55 174.54 1uw0 n HIS 52 N -0.52 -3.40 -0.06 2.71 8.25 -1.26 -4.02 115.22 116.92 1uw0 n HIS 52 Ca 0.01 -0.07 -0.02 0.00 -0.26 0.00 0.00 57.72 57.38 1uw0 n HIS 52 Cb 0.65 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.72 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 -0.43 0.00 0.00 1.59 1.08 -2.00 -3.25 117.51 114.51 1uw0 h ILE 53 Ca -0.01 -1.00 -0.11 0.00 -0.39 0.00 0.00 64.86 63.35 1uw0 h ILE 53 Cb 0.05 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.79 1uw0 h ILE 53 CO 0.02 0.00 -0.51 0.11 -0.69 0.00 0.00 178.15 177.07 1uw0 h LYS 54 N -1.00 0.00 0.11 2.37 1.79 -1.97 -2.39 116.57 115.48 1uw0 h LYS 54 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1uw0 h LYS 54 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1uw0 h LYS 54 CO 0.00 0.51 -0.05 0.00 -1.08 0.00 0.00 179.45 178.83 1uw0 h MET 56 N -0.44 0.90 0.00 0.00 1.85 -1.63 -2.80 114.93 112.81 1uw0 h MET 56 Ca -0.01 -0.49 -0.11 0.00 -0.61 0.00 0.00 59.70 58.48 1uw0 h MET 56 Cb 0.36 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.40 1uw0 h MET 56 CO 0.02 1.14 -0.51 0.74 -0.40 0.00 0.00 176.91 177.90 1uw0 h PHE 57 N 0.72 0.00 -0.38 1.39 0.04 -1.42 -3.02 116.94 114.28 1uw0 h PHE 57 Ca 0.05 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.71 1uw0 h PHE 57 Cb 1.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.14 1uw0 h PHE 57 CO 0.06 0.51 -0.20 1.49 -0.60 0.00 0.00 178.31 179.57 1uw0 h GLU 58 N 0.00 0.73 -0.96 1.51 4.57 0.43 -2.85 114.58 118.01 1uw0 h GLU 58 Ca -0.01 -0.28 0.04 0.00 -1.18 0.00 0.00 59.36 57.93 1uw0 h GLU 58 Cb 0.98 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.47 1uw0 h GLU 58 CO 0.07 0.87 0.63 -0.22 -1.18 0.00 0.00 179.01 179.18 1uw0 h LYS 59 N 0.64 1.18 -0.73 1.92 3.64 -1.36 -1.74 116.57 120.12 1uw0 h LYS 59 Ca 0.10 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1uw0 h LYS 59 Cb 0.69 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1uw0 h LYS 59 CO 0.05 0.78 0.42 -0.07 -2.27 0.00 0.00 179.45 178.36 1uw0 h LEU 60 N 1.21 0.89 -1.62 5.20 4.07 -1.54 -1.21 115.31 122.32 1uw0 h LEU 60 Ca 0.39 -0.08 0.09 0.00 0.08 0.00 0.00 57.88 58.36 1uw0 h LEU 60 Cb 0.01 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.49 1uw0 h LEU 60 CO -0.13 0.71 0.39 -0.08 -1.08 0.00 0.00 178.44 178.26 1uw0 h GLU 61 N 1.00 0.43 -0.83 1.13 4.81 -1.20 -0.56 114.58 119.37 1uw0 h GLU 61 Ca 0.26 -0.03 -0.43 0.00 -0.13 0.00 0.00 59.36 59.04 1uw0 h GLU 61 Cb -0.00 -0.10 -0.25 0.00 0.63 0.00 0.00 28.75 29.03 1uw0 h GLU 61 CO -0.05 0.28 0.46 0.54 -0.73 0.00 0.00 179.01 179.52 1uw0 n ARG 62 N -4.47 2.17 -3.87 1.92 1.74 -0.54 -4.98 116.66 108.63 1uw0 n ARG 62 Ca 0.09 -3.06 -0.23 0.00 -0.77 0.00 0.00 57.85 53.89 1uw0 n ARG 62 Cb 0.34 -2.09 -0.05 0.00 -1.02 0.00 0.00 32.46 29.64 1uw0 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uw0 s ALA 63 N -3.28 3.78 0.67 7.54 0.00 -0.22 -5.02 121.76 125.23 1uw0 s ALA 63 Ca 0.54 -1.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 1uw0 s ALA 63 Cb 0.46 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1uw0 s ALA 63 CO 0.08 -0.14 1.22 1.03 0.00 0.00 0.00 175.76 177.96 1uw0 s ARG 64 N -3.99 2.49 -0.02 0.00 0.52 -1.26 -4.95 118.95 111.73 1uw0 s ARG 64 Ca 0.43 1.83 0.03 0.00 -0.52 0.00 0.00 55.73 57.50 1uw0 s ARG 64 Cb -0.01 -1.87 -0.25 0.00 0.52 0.00 0.00 34.95 33.34 1uw0 s ARG 64 CO 0.25 -1.58 0.75 0.00 0.02 0.00 0.00 175.30 174.74 1uw0 h ALA 65 N 0.23 0.49 -1.02 2.13 0.00 -1.99 -3.35 119.26 115.76 1uw0 h ALA 65 Ca -0.49 -1.27 0.26 0.00 0.00 0.00 0.00 54.91 53.41 1uw0 h ALA 65 Cb 1.30 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1uw0 h ALA 65 CO 0.52 1.34 0.68 1.79 0.00 0.00 0.00 179.25 183.58 1uw0 h THR 66 N 0.04 0.55 -3.58 0.00 1.35 -2.05 -3.39 112.91 105.82 1uw0 h THR 66 Ca -0.26 -0.11 -0.68 0.00 -0.55 0.00 0.00 66.41 64.80 1uw0 h THR 66 Cb 1.99 0.20 -0.18 0.00 -1.73 0.00 0.00 68.15 68.43 1uw0 h THR 66 CO 0.12 0.06 -0.68 0.42 -0.25 0.00 0.00 175.52 175.19 1uw0 s THR 67 N -5.36 3.85 0.02 6.82 -4.23 -1.26 -5.12 115.64 110.36 1uw0 s THR 67 Ca -0.08 -0.42 0.06 0.00 -1.18 0.00 0.00 61.69 60.07 1uw0 s THR 67 Cb 0.24 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1uw0 s THR 67 CO 0.79 0.60 -0.15 -0.54 -0.54 0.00 0.00 174.62 174.78 1uw0 s LYS 68 N -0.82 2.21 -0.04 3.99 -0.14 -1.26 -4.80 119.74 118.88 1uw0 s LYS 68 Ca 0.12 -0.90 0.06 0.00 -1.36 0.00 0.00 55.97 53.89 1uw0 s LYS 68 Cb -0.11 -2.27 -0.01 0.00 -1.68 0.00 0.00 37.83 33.76 1uw0 s LYS 68 CO 0.02 0.56 -0.21 0.15 -0.76 0.00 0.00 175.35 175.11 1uw0 s LYS 69 N -1.36 2.03 -0.12 1.68 -0.14 -1.26 -4.96 119.74 115.61 1uw0 s LYS 69 Ca 0.15 -0.76 -0.08 0.00 -1.36 0.00 0.00 55.97 53.92 1uw0 s LYS 69 Cb -0.11 -1.79 0.03 0.00 -1.68 0.00 0.00 37.83 34.28 1uw0 s LYS 69 CO 0.05 0.36 0.17 -0.89 -0.76 0.00 0.00 175.35 174.28 1uw0 n ILE 70 N 2.90 -9.82 -4.56 2.17 5.41 -1.26 -5.00 119.36 109.20 1uw0 n ILE 70 Ca -0.17 2.10 -0.33 0.00 1.00 0.00 0.00 62.75 65.35 1uw0 n ILE 70 Cb 0.52 -5.43 -0.11 0.00 -0.71 0.00 0.00 39.64 33.92 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 -0.48 2.72 1.35 0.38 2.02 -1.26 -5.02 118.70 118.40 1uw0 s GLU 71 Ca -0.20 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1uw0 s GLU 71 Cb 0.01 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1uw0 s GLU 71 CO 0.53 0.65 0.00 -3.47 0.02 0.00 0.00 175.26 172.99 1uw0 n ASP 72 N 2.03 -4.00 -1.85 -0.19 -0.08 -1.26 -4.30 116.55 106.90 1uw0 n ASP 72 Ca -0.17 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.90 1uw0 n ASP 72 Cb 0.53 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.04 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 4.83 -2.18 -2.67 7.94 -1.26 -4.69 117.00 118.98 1uw0 n LEU 73 Ca 0.00 -4.60 -0.01 0.00 -1.11 0.00 0.00 56.01 50.29 1uw0 n LEU 73 Cb 0.00 -0.41 0.04 0.00 0.53 0.00 0.00 43.42 43.58 1uw0 n LEU 73 CO 0.00 1.97 0.23 0.35 -1.11 0.00 0.00 177.39 178.82 1uw0 n THR 74 N -0.78 0.45 -2.09 1.96 -2.24 -1.26 -4.91 114.28 105.41 1uw0 n THR 74 Ca 0.42 -1.51 0.05 0.00 -2.27 0.00 0.00 64.05 60.74 1uw0 n THR 74 Cb 0.92 1.03 0.10 0.00 -2.10 0.00 0.00 70.33 70.28 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 -0.48 0.67 -4.07 -0.78 2.13 -1.26 -5.07 120.64 111.79 1uw0 n GLU 75 Ca -0.05 -2.51 -0.11 0.00 0.66 0.00 0.00 57.16 55.15 1uw0 n GLU 75 Cb 0.89 -0.71 -0.11 0.00 0.27 0.00 0.00 31.44 31.78 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 -1.38 2.34 -0.66 4.31 1.43 -1.26 -4.90 118.68 118.56 1uw0 s LEU 76 Ca 0.34 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.49 1uw0 s LEU 76 Cb 0.37 -0.03 0.04 0.00 0.03 0.00 0.00 46.19 46.60 1uw0 s LEU 76 CO -0.12 -0.34 1.14 -0.70 0.23 0.00 0.00 176.35 176.56 1uw0 s GLU 77 N -2.37 3.26 0.00 1.70 2.12 -1.04 -4.01 118.70 118.36 1uw0 s GLU 77 Ca -0.04 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1uw0 s GLU 77 Cb -0.04 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.21 1uw0 s GLU 77 CO -0.03 -1.87 0.00 0.41 -0.54 0.00 0.00 175.26 173.23 1uw0 n GLY 78 N 5.26 2.47 0.33 -1.50 0.00 -1.26 -1.87 105.19 108.62 1uw0 n GLY 78 Ca 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.26 -0.82 1.61 5.08 -1.76 -1.62 115.95 118.71 1uw0 h TRP 79 Ca 0.00 0.01 0.18 0.00 1.08 0.00 0.00 58.89 60.15 1uw0 h TRP 79 Cb 0.00 -0.09 -0.06 0.00 -3.00 0.00 0.00 29.16 26.02 1uw0 h TRP 79 CO 0.00 0.14 0.55 1.49 -1.28 0.00 0.00 178.44 179.33 1uw0 h GLU 80 N 0.26 0.38 0.15 0.12 4.81 -1.94 -1.33 114.58 117.02 1uw0 h GLU 80 Ca 0.20 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 59.11 1uw0 h GLU 80 Cb 0.45 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1uw0 h GLU 80 CO -0.04 0.25 -1.35 1.49 -0.73 0.00 0.00 179.01 178.63 1uw0 h GLU 81 N 0.39 0.32 -6.24 1.92 4.81 -1.68 -3.47 114.58 110.63 1uw0 h GLU 81 Ca 0.41 -0.55 -0.28 0.00 -0.13 0.00 0.00 59.36 58.81 1uw0 h GLU 81 Cb 1.02 0.20 0.16 0.00 0.63 0.00 0.00 28.75 30.76 1uw0 h GLU 81 CO -0.14 1.24 -0.46 -0.11 -0.73 0.00 0.00 179.01 178.82 1uw0 n LEU 82 N -3.55 -1.47 -4.87 1.64 7.94 -0.50 -5.00 117.00 111.19 1uw0 n LEU 82 Ca -0.12 -0.38 -0.22 0.00 -1.11 0.00 0.00 56.01 54.19 1uw0 n LEU 82 Cb 1.04 -0.82 -0.04 0.00 0.53 0.00 0.00 43.42 44.14 1uw0 n LEU 82 CO 0.55 -3.33 -0.12 -0.70 -1.11 0.00 0.00 177.39 172.67 1uw0 s GLU 83 N -3.59 3.07 0.15 1.96 2.12 -1.26 -4.94 118.70 116.21 1uw0 s GLU 83 Ca 0.43 -0.98 -0.16 0.00 0.36 0.00 0.00 54.97 54.61 1uw0 s GLU 83 Cb -0.07 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.66 1uw0 s GLU 83 CO 0.42 0.38 1.79 -0.44 -0.54 0.00 0.00 175.26 176.88 1uw0 h ASP 84 N 1.37 0.46 -0.18 -1.70 3.32 -1.95 0.55 116.42 118.29 1uw0 h ASP 84 Ca -0.49 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 1uw0 h ASP 84 Cb 1.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1uw0 h ASP 84 CO 0.60 0.36 0.10 0.78 -1.72 0.00 0.00 179.24 179.36 1uw0 h ASN 85 N 0.52 0.22 -0.67 6.45 2.35 -1.99 0.87 115.58 123.33 1uw0 h ASN 85 Ca 0.14 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1uw0 h ASN 85 Cb -0.03 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1uw0 h ASN 85 CO -0.03 0.24 0.16 -0.33 -1.65 0.00 0.00 177.43 175.82 1uw0 h GLU 86 N 0.19 1.08 -0.77 0.81 5.08 -1.91 -2.63 114.58 116.44 1uw0 h GLU 86 Ca 0.06 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1uw0 h GLU 86 Cb 0.07 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1uw0 h GLU 86 CO -0.01 0.97 0.36 -0.22 -1.00 0.00 0.00 179.01 179.11 1uw0 h LYS 87 N 1.01 1.10 -0.78 2.33 3.64 0.47 -2.13 116.57 122.21 1uw0 h LYS 87 Ca 0.21 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1uw0 h LYS 87 Cb 0.38 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1uw0 h LYS 87 CO 0.00 0.85 0.40 1.49 -2.27 0.00 0.00 179.45 179.92 1uw0 h GLU 88 N 1.09 1.11 -0.46 1.90 4.81 -0.48 -1.11 114.58 121.44 1uw0 h GLU 88 Ca 0.26 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1uw0 h GLU 88 Cb 0.12 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1uw0 h GLU 88 CO -0.03 0.85 -0.13 1.96 -0.73 0.00 0.00 179.01 180.93 1uw0 h GLN 89 N 1.09 0.85 -0.47 1.92 4.20 -1.15 -2.82 115.11 118.74 1uw0 h GLN 89 Ca 0.27 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1uw0 h GLN 89 Cb 0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1uw0 h GLN 89 CO -0.04 0.93 -0.14 0.82 -0.67 0.00 0.00 178.83 179.74 1uw0 h ILE 90 N 0.76 1.27 -0.92 2.54 1.08 -1.00 -2.85 117.51 118.39 1uw0 h ILE 90 Ca 0.12 -1.26 0.03 0.00 -0.39 0.00 0.00 64.86 63.36 1uw0 h ILE 90 Cb 0.64 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 1uw0 h ILE 90 CO 0.04 0.43 0.61 0.74 -0.69 0.00 0.00 178.15 179.28 1uw0 h THR 91 N 0.79 1.19 -0.81 -0.27 2.02 -0.99 -1.62 112.91 113.22 1uw0 h THR 91 Ca 0.12 -0.41 0.10 0.00 0.77 0.00 0.00 66.41 66.99 1uw0 h THR 91 Cb 0.67 -0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 1uw0 h THR 91 CO 0.05 0.22 0.53 1.56 0.37 0.00 0.00 175.52 178.24 1uw0 h GLN 92 N 1.19 0.72 0.10 6.66 1.08 -1.26 -1.90 115.11 121.70 1uw0 h GLN 92 Ca 0.35 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1uw0 h GLN 92 Cb -0.05 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 1uw0 h GLN 92 CO -0.10 0.48 -0.09 1.25 -0.95 0.00 0.00 178.83 179.42 1uw0 h HIS 93 N 0.74 -0.24 -0.73 2.96 2.76 -1.31 -1.60 115.15 117.73 1uw0 h HIS 93 Ca 0.38 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1uw0 h HIS 93 Cb 0.46 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 1uw0 h HIS 93 CO -0.00 -0.14 0.43 0.82 -1.30 0.00 0.00 177.93 177.74 1uw0 h ILE 94 N -0.21 1.20 -1.00 6.26 2.04 -1.42 -1.63 117.51 122.76 1uw0 h ILE 94 Ca 0.00 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1uw0 h ILE 94 Cb 0.20 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1uw0 h ILE 94 CO -0.03 0.22 0.66 0.00 0.00 0.00 0.00 178.15 179.00 1uw0 h ALA 95 N 1.48 1.29 -0.32 1.87 0.00 -0.79 0.24 119.26 123.02 1uw0 h ALA 95 Ca 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1uw0 h ALA 95 Cb -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1uw0 h ALA 95 CO -0.05 0.62 -0.16 -0.44 0.00 0.00 0.00 179.25 179.23 1uw0 h ASP 96 N 1.33 0.69 -0.30 0.00 5.19 -0.54 -2.92 116.42 119.87 1uw0 h ASP 96 Ca 0.38 -0.41 -0.05 0.00 -0.62 0.00 0.00 57.03 56.33 1uw0 h ASP 96 Cb -0.11 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.19 1uw0 h ASP 96 CO -0.09 0.94 0.04 0.25 -3.12 0.00 0.00 179.24 177.26 1uw0 h LEU 97 N 0.43 0.56 -6.66 1.55 5.85 -0.71 -3.21 115.31 113.12 1uw0 h LEU 97 Ca 0.07 -0.10 -0.80 0.00 0.84 0.00 0.00 57.88 57.89 1uw0 h LEU 97 Cb 0.69 -0.15 -0.28 0.00 0.37 0.00 0.00 40.66 41.29 1uw0 h LEU 97 CO 0.05 0.60 0.83 -1.20 -0.34 0.00 0.00 178.44 178.38 1uw0 n SER 98 N -4.29 6.68 -4.19 1.25 7.64 0.78 -4.98 113.62 116.51 1uw0 n SER 98 Ca 0.02 -3.51 -0.11 0.00 1.01 0.00 0.00 58.87 56.28 1uw0 n SER 98 Cb 0.23 -1.22 -0.10 0.00 -1.01 0.00 0.00 64.21 62.11 1uw0 n SER 98 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uw0 s SER 99 N -1.69 0.58 0.20 6.43 0.15 -1.21 -4.86 113.70 113.29 1uw0 s SER 99 Ca 0.34 -1.23 0.04 0.00 0.70 0.00 0.00 55.95 55.80 1uw0 s SER 99 Cb 0.10 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1uw0 s SER 99 CO 0.03 -0.70 0.16 0.29 1.20 0.00 0.00 173.24 174.21 1uw0 n LYS 100 N -0.17 0.30 -4.06 5.44 5.02 -1.26 -5.11 118.16 118.31 1uw0 n LYS 100 Ca -0.05 -1.98 -0.32 0.00 -2.02 0.00 0.00 58.31 53.95 1uw0 n LYS 100 Cb 0.64 1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 37.05 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 -2.78 2.41 -0.31 7.82 0.00 -1.26 -4.99 121.76 122.65 1uw0 s ALA 101 Ca 0.22 -1.58 0.19 0.00 0.00 0.00 0.00 51.96 50.79 1uw0 s ALA 101 Cb 0.01 -1.47 0.47 0.00 0.00 0.00 0.00 23.12 22.13 1uw0 s ALA 101 CO 0.16 -1.02 0.98 0.00 0.00 0.00 0.00 175.76 175.88 1uw0 n ALA 102 N 4.51 3.26 -2.16 0.00 0.00 -1.26 -5.09 120.51 119.77 1uw0 n ALA 102 Ca -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.23 1uw0 n ALA 102 Cb 0.44 -0.93 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 -0.17 2.44 2.73 0.00 0.00 -1.26 -5.09 105.19 103.84 1uw0 n GLY 103 Ca 0.09 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 3.55 1.12 0.76 2.61 2.01 -1.26 -5.12 115.64 119.31 1uw0 s THR 104 Ca 0.00 -1.90 -0.11 0.00 0.31 0.00 0.00 61.69 59.99 1uw0 s THR 104 Cb 0.00 -1.82 0.05 0.00 0.01 0.00 0.00 72.50 70.74 1uw0 s THR 104 CO 0.00 -0.77 1.08 -2.16 -0.69 0.00 0.00 174.62 172.08 1uw0 s PRO 105 N 1.08 2.39 -0.16 4.92 0.04 -1.26 -4.58 135.00 137.43 1uw0 s PRO 105 Ca 0.13 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 1uw0 s PRO 105 Cb -0.20 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1uw0 s PRO 105 CO -0.13 -1.49 0.08 1.17 0.04 0.00 0.00 177.00 176.67 1uw0 n LYS 106 N -3.39 -2.83 -4.60 4.56 4.81 -1.26 -5.02 118.16 110.43 1uw0 n LYS 106 Ca 0.08 2.34 -0.29 0.00 -0.87 0.00 0.00 58.31 59.57 1uw0 n LYS 106 Cb 0.54 -3.65 -0.14 0.00 0.02 0.00 0.00 35.03 31.80 1uw0 n LYS 106 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1uw0 s LYS 107 N -0.95 1.53 0.05 1.64 2.20 -1.26 -5.14 119.74 117.80 1uw0 s LYS 107 Ca -0.09 -1.20 0.08 0.00 -0.36 0.00 0.00 55.97 54.39 1uw0 s LYS 107 Cb 0.01 -1.85 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 1uw0 s LYS 107 CO 0.50 0.46 -0.21 0.15 -0.36 0.00 0.00 175.35 175.88 1uw0 s LYS 108 N -1.65 1.41 0.36 4.03 1.02 -1.26 -5.15 119.74 118.50 1uw0 s LYS 108 Ca 0.12 -0.98 0.08 0.00 0.02 0.00 0.00 55.97 55.21 1uw0 s LYS 108 Cb -0.10 -1.55 -0.07 0.00 -0.52 0.00 0.00 37.83 35.59 1uw0 s LYS 108 CO 0.04 0.39 -0.05 0.00 -0.92 0.00 0.00 175.35 174.81 1uw0 s ALA 109 N -0.83 2.98 -0.36 5.17 0.00 -1.26 -5.12 121.76 122.34 1uw0 s ALA 109 Ca 0.08 -2.16 0.01 0.00 0.00 0.00 0.00 51.96 49.88 1uw0 s ALA 109 Cb -0.09 0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.20 1uw0 s ALA 109 CO 0.02 -0.02 0.10 0.08 0.00 0.00 0.00 175.76 175.95 1uw0 s VAL 110 N -2.70 2.76 -0.25 0.00 1.01 -1.26 -5.07 120.40 114.90 1uw0 s VAL 110 Ca 0.33 -2.10 0.02 0.00 0.00 0.00 0.00 61.98 60.23 1uw0 s VAL 110 Cb 0.06 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.59 1uw0 s VAL 110 CO 0.17 -0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 173.94 1uw0 s VAL 111 N 1.04 1.89 -0.12 2.92 1.01 -1.26 -5.10 120.40 120.78 1uw0 s VAL 111 Ca 0.07 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.60 1uw0 s VAL 111 Cb -0.21 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1uw0 s VAL 111 CO -0.06 -0.09 -0.21 -1.58 0.00 0.00 0.00 175.10 173.17 1uw0 s GLN 112 N 1.22 3.12 -0.06 2.72 0.74 -1.26 -5.12 119.66 121.04 1uw0 s GLN 112 Ca -0.07 -0.83 0.01 0.00 0.05 0.00 0.00 55.36 54.52 1uw0 s GLN 112 Cb -0.19 -2.42 0.02 0.00 1.10 0.00 0.00 33.01 31.52 1uw0 s GLN 112 CO -0.06 0.13 -0.04 0.00 -0.55 0.00 0.00 175.29 174.77 1uw0 s ALA 113 N 0.48 0.76 0.10 1.58 0.00 -1.26 -5.15 121.76 118.28 1uw0 s ALA 113 Ca -0.14 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 51.77 1uw0 s ALA 113 Cb -0.17 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1uw0 s ALA 113 CO 0.05 -0.12 -0.19 -1.59 0.00 0.00 0.00 175.76 173.91 1uw0 s LYS 114 N 1.15 1.09 0.10 0.00 -2.85 -1.26 -5.15 119.74 112.81 1uw0 s LYS 114 Ca -0.07 -1.16 0.07 0.00 -1.00 0.00 0.00 55.97 53.81 1uw0 s LYS 114 Cb -0.14 -1.28 -0.03 0.00 -2.06 0.00 0.00 37.83 34.31 1uw0 s LYS 114 CO -0.01 0.29 -0.18 -1.17 0.10 0.00 0.00 175.35 174.37 1uw0 s LEU 115 N -1.98 2.31 -0.03 2.77 2.96 -1.26 -5.15 118.68 118.29 1uw0 s LEU 115 Ca 0.06 -0.69 0.07 0.00 -0.22 0.00 0.00 54.13 53.35 1uw0 s LEU 115 Cb -0.09 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 1uw0 s LEU 115 CO 0.04 0.00 -0.23 0.42 -1.32 0.00 0.00 176.35 175.26 1uw0 s THR 116 N -1.31 2.27 0.00 3.68 -4.23 -1.26 -5.39 115.64 109.40 1uw0 s THR 116 Ca 0.05 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1uw0 s THR 116 Cb -0.09 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1uw0 s THR 116 CO 0.04 0.58 0.00 0.41 -0.54 0.00 0.00 174.62 175.11