#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw1 n ASP 8 N 0.00 0.00 0.04 -2.24 8.00 -1.26 -1.11 116.55 119.97 1uw1 n ASP 8 Ca 0.00 0.27 -0.02 0.00 0.71 0.00 0.00 54.79 55.75 1uw1 n ASP 8 Cb 0.00 -0.11 0.25 0.00 -0.02 0.00 0.00 41.12 41.24 1uw1 n ASP 8 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1uw1 h LYS 9 N 0.00 0.43 0.12 -1.24 -0.00 -2.00 -2.48 116.57 111.40 1uw1 h LYS 9 Ca 0.21 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.65 60.72 1uw1 h LYS 9 Cb 1.04 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 1uw1 h LYS 9 CO -0.00 0.61 -0.06 -0.22 -0.00 0.00 0.00 179.45 179.77 1uw1 h LYS 10 N 0.39 -0.16 -0.87 0.07 1.63 -1.51 -2.49 116.57 113.63 1uw1 h LYS 10 Ca 0.07 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.01 1uw1 h LYS 10 Cb 0.56 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.16 1uw1 h LYS 10 CO 0.04 -0.00 0.56 1.79 -3.45 0.00 0.00 179.45 178.39 1uw1 h THR 11 N -0.29 0.86 -0.49 1.00 1.35 -1.72 -0.98 112.91 112.64 1uw1 h THR 11 Ca -0.02 -0.24 -0.08 0.00 -0.55 0.00 0.00 66.41 65.52 1uw1 h THR 11 Cb 0.23 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.73 1uw1 h THR 11 CO 0.03 0.13 -0.03 0.78 -0.25 0.00 0.00 175.52 176.18 1uw1 h ASN 12 N 0.69 0.82 -0.50 5.36 2.35 -1.26 -1.33 115.58 121.72 1uw1 h ASN 12 Ca 0.43 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1uw1 h ASN 12 Cb 0.66 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1uw1 h ASN 12 CO -0.19 0.90 0.18 -0.50 -1.65 0.00 0.00 177.43 176.17 1uw1 h TRP 13 N 0.78 0.78 -0.54 1.19 4.06 -0.76 -1.81 115.95 119.65 1uw1 h TRP 13 Ca 0.14 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 60.99 1uw1 h TRP 13 Cb 0.51 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 1uw1 h TRP 13 CO 0.03 0.67 0.18 -0.07 -3.56 0.00 0.00 178.44 175.68 1uw1 h LEU 14 N 0.67 0.73 -0.82 -4.49 3.38 -1.01 -0.57 115.31 113.20 1uw1 h LEU 14 Ca 0.16 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1uw1 h LEU 14 Cb 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1uw1 h LEU 14 CO -0.01 0.69 0.01 0.11 0.09 0.00 0.00 178.44 179.33 1uw1 h LYS 15 N 0.78 0.90 -0.10 1.13 1.57 -1.08 -1.07 116.57 118.70 1uw1 h LYS 15 Ca 0.18 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1uw1 h LYS 15 Cb 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1uw1 h LYS 15 CO -0.01 0.89 0.01 0.00 -0.57 0.00 0.00 179.45 179.77 1uw1 h ARG 16 N 0.84 0.16 -0.51 3.15 3.08 -0.68 -1.98 114.38 118.44 1uw1 h ARG 16 Ca 0.16 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1uw1 h ARG 16 Cb 0.48 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1uw1 h ARG 16 CO 0.02 0.39 0.30 0.82 -1.07 0.00 0.00 179.97 180.43 1uw1 h ILE 17 N -0.09 1.04 -0.38 2.04 2.04 -1.02 -2.09 117.51 119.05 1uw1 h ILE 17 Ca 0.03 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1uw1 h ILE 17 Cb 0.31 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1uw1 h ILE 17 CO 0.00 0.11 0.23 0.22 0.00 0.00 0.00 178.15 178.72 1uw1 h TYR 18 N 0.59 0.49 -0.54 1.37 3.20 -1.16 -3.13 116.97 117.79 1uw1 h TYR 18 Ca 0.21 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1uw1 h TYR 18 Cb 0.04 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1uw1 h TYR 18 CO -0.07 0.34 0.08 -0.09 -1.64 0.00 0.00 178.16 176.77 1uw1 h ARG 19 N 0.50 0.87 -0.04 1.82 2.43 -1.07 -2.90 114.38 115.99 1uw1 h ARG 19 Ca 0.14 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1uw1 h ARG 19 Cb -0.02 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1uw1 h ARG 19 CO -0.03 0.82 0.00 1.33 -1.51 0.00 0.00 179.97 180.58 1uw1 n VAL 20 N -4.24 0.05 -3.90 0.20 0.24 -0.81 -4.54 118.33 105.33 1uw1 n VAL 20 Ca 0.03 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.34 61.91 1uw1 n VAL 20 Cb 0.27 -0.05 -0.13 0.00 -1.47 0.00 0.00 33.84 32.46 1uw1 n VAL 20 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1uw1 s ARG 21 N -1.95 2.28 0.89 7.34 0.52 -1.09 -5.09 118.95 121.84 1uw1 s ARG 21 Ca 0.35 -2.96 -0.10 0.00 -0.52 0.00 0.00 55.73 52.49 1uw1 s ARG 21 Cb 0.17 -3.42 0.13 0.00 0.52 0.00 0.00 34.95 32.35 1uw1 s ARG 21 CO 0.28 -1.19 1.12 -2.14 0.02 0.00 0.00 175.30 173.38 1uw1 s PRO 22 N -0.83 1.28 0.15 3.54 0.02 -1.26 -4.29 135.00 133.61 1uw1 s PRO 22 Ca 0.21 1.32 -0.33 0.00 0.02 0.00 0.00 61.00 62.22 1uw1 s PRO 22 Cb -0.16 -1.77 -0.17 0.00 0.02 0.00 0.00 34.50 32.42 1uw1 s PRO 22 CO -0.08 -2.38 1.05 0.00 -0.33 0.00 0.00 177.00 175.26 1uw1 h VAL 24 N 2.44 0.00 0.00 0.00 -1.51 -1.70 -0.64 116.25 114.84 1uw1 h VAL 24 Ca -0.42 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1uw1 h VAL 24 Cb 1.37 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1uw1 h VAL 24 CO 0.67 0.00 -0.50 1.17 -1.23 0.00 0.00 177.57 177.67 1uw1 n LYS 25 N -3.04 0.45 0.05 5.19 3.00 -1.26 -4.52 118.16 118.03 1uw1 n LYS 25 Ca 0.01 0.53 0.12 0.00 -0.00 0.00 0.00 58.31 58.97 1uw1 n LYS 25 Cb 0.32 -1.69 0.25 0.00 0.00 0.00 0.00 35.03 33.91 1uw1 n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uw1 n LYS 27 N -1.95 -1.95 0.02 0.00 5.02 -0.25 -4.69 118.16 114.35 1uw1 n LYS 27 Ca 0.04 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1uw1 n LYS 27 Cb 0.41 -4.99 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 1uw1 n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1uw1 n VAL 28 N -1.98 0.30 -2.03 -0.18 0.31 -1.26 -4.79 118.33 108.70 1uw1 n VAL 28 Ca -0.02 0.10 -0.33 0.00 -0.01 0.00 0.00 64.34 64.08 1uw1 n VAL 28 Cb 0.50 -1.43 0.02 0.00 -0.91 0.00 0.00 33.84 32.02 1uw1 n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uw1 s ALA 29 N -2.00 2.64 0.72 3.52 0.00 -1.26 -4.72 121.76 120.66 1uw1 s ALA 29 Ca 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 1uw1 s ALA 29 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1uw1 s ALA 29 CO 0.00 -0.93 1.10 -2.14 0.00 0.00 0.00 175.76 173.78 1uw1 s PRO 30 N -3.83 2.49 0.54 0.00 0.02 -1.26 -0.23 135.00 132.73 1uw1 s PRO 30 Ca 0.67 1.26 -0.18 0.00 0.02 0.00 0.00 61.00 62.76 1uw1 s PRO 30 Cb -0.19 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.35 1uw1 s PRO 30 CO 0.35 -1.47 1.07 1.03 -0.33 0.00 0.00 177.00 177.65 1uw1 s ARG 31 N -4.57 3.48 0.72 5.54 0.52 -1.26 -4.13 118.95 119.24 1uw1 s ARG 31 Ca 0.63 1.39 -0.12 0.00 -0.52 0.00 0.00 55.73 57.12 1uw1 s ARG 31 Cb -0.18 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.27 1uw1 s ARG 31 CO 0.50 -0.70 1.08 1.21 0.02 0.00 0.00 175.30 177.41 1uw1 s ASN 32 N -2.18 4.96 0.23 0.23 2.47 -0.71 -4.85 114.94 115.09 1uw1 s ASN 32 Ca 0.68 1.79 -0.20 0.00 0.42 0.00 0.00 52.86 55.54 1uw1 s ASN 32 Cb -0.19 -2.52 0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1uw1 s ASN 32 CO 0.28 -1.72 0.64 -1.66 -3.72 0.00 0.00 177.10 170.91 1uw1 s TRP 33 N -2.81 -0.24 0.11 0.43 1.48 -1.26 -1.25 118.94 115.41 1uw1 s TRP 33 Ca 0.61 -0.13 -0.19 0.00 -1.06 0.00 0.00 56.10 55.34 1uw1 s TRP 33 Cb -0.17 0.58 0.05 0.00 -1.16 0.00 0.00 33.47 32.77 1uw1 s TRP 33 CO 0.52 -1.06 0.47 -1.59 -4.06 0.00 0.00 176.95 171.22 1uw1 s LYS 34 N -3.87 1.10 -0.25 3.25 -2.85 -0.46 -4.99 119.74 111.68 1uw1 s LYS 34 Ca 0.09 -0.55 -0.12 0.00 -1.00 0.00 0.00 55.97 54.39 1uw1 s LYS 34 Cb -0.03 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.18 1uw1 s LYS 34 CO -0.00 -0.43 0.22 0.08 0.10 0.00 0.00 175.35 175.31 1uw1 s VAL 35 N -3.48 5.31 -0.24 1.79 1.01 -1.26 -0.89 120.40 122.65 1uw1 s VAL 35 Ca 0.01 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1uw1 s VAL 35 Cb 0.01 -3.55 0.07 0.00 0.00 0.00 0.00 36.38 32.90 1uw1 s VAL 35 CO -0.10 0.30 -0.02 -1.59 0.00 0.00 0.00 175.10 173.69 1uw1 s LYS 36 N 1.34 1.34 5.09 2.72 -2.85 0.03 -4.98 119.74 122.42 1uw1 s LYS 36 Ca 0.10 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 1uw1 s LYS 36 Cb -0.14 -2.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.15 1uw1 s LYS 36 CO 0.07 -0.66 0.00 0.27 0.10 0.00 0.00 175.35 175.13 1uw1 n ASN 37 N 4.74 0.00 -1.35 0.03 6.94 -1.26 -1.39 115.26 122.97 1uw1 n ASN 37 Ca -0.10 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.58 1uw1 n ASN 37 Cb 0.44 0.00 0.32 0.00 -2.36 0.00 0.00 39.78 38.19 1uw1 n ASN 37 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uw1 n LYS 38 N 0.52 2.73 -4.39 -3.83 5.02 -1.26 -4.96 118.16 111.99 1uw1 n LYS 38 Ca 0.00 -2.66 -0.28 0.00 -2.02 0.00 0.00 58.31 53.35 1uw1 n LYS 38 Cb 0.00 -1.57 -0.12 0.00 -0.02 0.00 0.00 35.03 33.32 1uw1 n LYS 38 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1uw1 s HIS 39 N -1.01 2.26 -0.25 2.13 3.76 -0.49 -1.36 115.29 120.33 1uw1 s HIS 39 Ca 0.49 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.92 1uw1 s HIS 39 Cb 0.26 -1.18 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 1uw1 s HIS 39 CO 0.33 0.39 0.15 -1.17 -0.85 0.00 0.00 174.74 173.59 1uw1 s LEU 40 N -2.28 3.95 -0.32 0.89 2.96 0.65 -0.79 118.68 123.74 1uw1 s LEU 40 Ca 0.16 0.01 -0.13 0.00 -0.22 0.00 0.00 54.13 53.95 1uw1 s LEU 40 Cb -0.09 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1uw1 s LEU 40 CO 0.07 0.01 0.26 -0.60 -1.32 0.00 0.00 176.35 174.77 1uw1 s ARG 41 N 1.38 3.69 -0.29 1.98 3.52 -0.07 -0.33 118.95 128.84 1uw1 s ARG 41 Ca 0.07 -0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 55.13 1uw1 s ARG 41 Cb -0.15 -3.75 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 1uw1 s ARG 41 CO 0.07 -0.36 0.14 0.42 -0.81 0.00 0.00 175.30 174.75 1uw1 s ILE 42 N 1.82 4.67 0.68 4.11 1.01 0.02 -1.35 121.20 132.17 1uw1 s ILE 42 Ca 0.08 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.42 1uw1 s ILE 42 Cb -0.17 -3.29 0.02 0.00 0.01 0.00 0.00 42.46 39.03 1uw1 s ILE 42 CO 0.11 0.19 1.04 -0.31 0.00 0.00 0.00 174.94 175.96 1uw1 s TYR 43 N 1.65 3.25 0.04 3.97 2.02 -0.38 -1.06 117.35 126.84 1uw1 s TYR 43 Ca 0.06 0.87 0.15 0.00 -0.37 0.00 0.00 57.07 57.78 1uw1 s TYR 43 Cb -0.16 -3.01 0.31 0.00 -0.40 0.00 0.00 41.96 38.70 1uw1 s TYR 43 CO 0.06 -1.13 1.55 -0.91 -1.57 0.00 0.00 175.55 173.56 1uw1 h ASN 44 N -0.53 0.00 -2.78 2.29 2.35 -1.41 -3.40 115.58 112.09 1uw1 h ASN 44 Ca -0.45 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.79 1uw1 h ASN 44 Cb 1.26 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.49 1uw1 h ASN 44 CO 0.63 0.52 -0.71 -0.04 -1.65 0.00 0.00 177.43 176.18 1uw1 s MET 45 N -3.24 1.53 0.95 0.81 -1.94 -1.26 -1.81 119.30 114.35 1uw1 s MET 45 Ca 0.02 -1.74 -0.12 0.00 -1.71 0.00 0.00 55.69 52.14 1uw1 s MET 45 Cb 0.10 -1.31 0.16 0.00 2.01 0.00 0.00 34.83 35.79 1uw1 s MET 45 CO 0.73 0.15 1.12 0.00 -0.01 0.00 0.00 175.02 177.01 1uw1 h LYS 47 N -1.68 1.10 0.18 0.00 1.63 -1.91 -2.08 116.57 113.81 1uw1 h LYS 47 Ca -0.52 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 58.96 1uw1 h LYS 47 Cb 1.33 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1uw1 h LYS 47 CO 0.60 1.02 -0.09 1.15 -3.45 0.00 0.00 179.45 178.68 1uw1 h THR 48 N 1.02 0.83 -0.69 1.00 2.02 -1.97 -0.73 112.91 114.39 1uw1 h THR 48 Ca 0.20 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 1uw1 h THR 48 Cb 0.46 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1uw1 h THR 48 CO 0.02 0.01 0.17 0.00 0.37 0.00 0.00 175.52 176.08 1uw1 h PHE 50 N 1.03 0.11 -0.82 0.00 3.57 -1.24 0.23 116.94 119.82 1uw1 h PHE 50 Ca 0.22 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1uw1 h PHE 50 Cb 0.36 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1uw1 h PHE 50 CO 0.03 0.12 0.54 -0.91 -2.23 0.00 0.00 178.31 175.86 1uw1 h ASN 51 N 0.07 0.93 -0.86 0.41 2.35 -1.02 -1.91 115.58 115.54 1uw1 h ASN 51 Ca 0.03 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1uw1 h ASN 51 Cb 0.04 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 1uw1 h ASN 51 CO -0.01 0.66 0.56 -1.13 -1.65 0.00 0.00 177.43 175.87 1uw1 h ASN 52 N 1.09 0.99 -0.20 5.81 -1.24 -0.93 -2.68 115.58 118.42 1uw1 h ASN 52 Ca 0.31 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 1uw1 h ASN 52 Cb -0.10 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.69 1uw1 h ASN 52 CO -0.08 0.73 0.09 0.77 -1.29 0.00 0.00 177.43 177.65 1uw1 h SER 53 N 1.17 0.31 -0.26 1.15 4.64 0.27 -0.71 113.55 120.12 1uw1 h SER 53 Ca 0.31 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.47 1uw1 h SER 53 Cb -0.12 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1uw1 h SER 53 CO -0.07 0.29 -0.37 0.40 -0.87 0.00 0.00 176.83 176.22 1uw1 h ILE 54 N 0.35 1.31 -0.40 0.95 1.08 -1.24 -1.42 117.51 118.13 1uw1 h ILE 54 Ca 0.09 -1.56 -0.05 0.00 -0.39 0.00 0.00 64.86 62.95 1uw1 h ILE 54 Cb 0.09 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1uw1 h ILE 54 CO -0.01 0.50 0.06 0.44 -0.69 0.00 0.00 178.15 178.44 1uw1 h ASP 55 N 0.43 0.57 0.52 1.72 3.32 -1.16 -3.04 116.42 118.78 1uw1 h ASP 55 Ca 0.03 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1uw1 h ASP 55 Cb 0.96 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1uw1 h ASP 55 CO 0.09 0.60 -0.62 2.30 -1.72 0.00 0.00 179.24 179.89 1uw1 n ILE 56 N -4.29 0.08 -2.38 0.35 -5.35 -0.35 -4.99 119.36 102.44 1uw1 n ILE 56 Ca 0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1uw1 n ILE 56 Cb 0.23 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1uw1 n ILE 56 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uw1 n GLY 57 N 1.45 0.86 3.08 3.28 0.00 -0.92 -5.06 105.19 107.89 1uw1 n GLY 57 Ca 0.05 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1uw1 n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uw1 s ASP 58 N -2.99 2.90 -0.02 1.61 -1.08 -0.58 -4.97 116.67 111.54 1uw1 s ASP 58 Ca 0.00 -0.56 0.20 0.00 -0.52 0.00 0.00 52.55 51.67 1uw1 s ASP 58 Cb 0.00 -1.33 0.60 0.00 -1.46 0.00 0.00 42.92 40.74 1uw1 s ASP 58 CO 0.00 -0.01 1.51 -0.90 0.52 0.00 0.00 175.17 176.29 1uw1 n ASP 59 N 4.56 3.92 -0.26 -0.34 5.68 -1.26 -4.57 116.55 124.29 1uw1 n ASP 59 Ca -0.19 -2.08 0.02 0.00 -0.50 0.00 0.00 54.79 52.04 1uw1 n ASP 59 Cb 0.50 -0.46 0.14 0.00 -1.14 0.00 0.00 41.12 40.16 1uw1 n ASP 59 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1uw1 h THR 60 N 3.88 0.88 -0.66 2.12 2.02 -1.97 -2.14 112.91 117.04 1uw1 h THR 60 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1uw1 h THR 60 Cb 1.02 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1uw1 h THR 60 CO 0.04 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.83 1uw1 n TYR 61 N -4.81 1.24 -2.25 3.16 4.01 -1.26 -4.95 117.16 112.31 1uw1 n TYR 61 Ca 0.12 -0.53 -0.40 0.00 -0.16 0.00 0.00 57.90 56.92 1uw1 n TYR 61 Cb 0.26 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 1uw1 n TYR 61 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1uw1 s HIS 62 N -1.53 3.20 0.00 -0.72 3.76 -0.81 -4.58 115.29 114.62 1uw1 s HIS 62 Ca 0.48 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.91 1uw1 s HIS 62 Cb 0.29 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1uw1 s HIS 62 CO 0.27 -1.40 0.00 0.41 -0.85 0.00 0.00 174.74 173.17 1uw1 n GLY 63 N 0.89 0.95 3.72 -2.22 0.00 -1.26 -4.98 105.19 102.29 1uw1 n GLY 63 Ca 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 1uw1 n GLY 63 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1uw1 s HIS 64 N -1.73 -0.13 0.01 1.61 -3.43 -1.26 -1.20 115.29 109.15 1uw1 s HIS 64 Ca 0.00 -0.14 0.01 0.00 -0.80 0.00 0.00 55.06 54.13 1uw1 s HIS 64 Cb 0.00 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.76 1uw1 s HIS 64 CO 0.00 -0.74 -0.03 0.16 -2.00 0.00 0.00 174.74 172.13 1uw1 s ASP 65 N -2.92 0.37 -0.07 7.38 1.47 -0.22 -4.98 116.67 117.70 1uw1 s ASP 65 Ca 0.12 -0.15 -0.02 0.00 1.18 0.00 0.00 52.55 53.68 1uw1 s ASP 65 Cb -0.01 -0.01 -0.04 0.00 -0.34 0.00 0.00 42.92 42.53 1uw1 s ASP 65 CO 0.01 -0.03 0.03 -1.81 0.68 0.00 0.00 175.17 174.05 1uw1 s ASP 66 N -0.38 5.43 -0.05 2.11 1.01 -1.26 -0.80 116.67 122.74 1uw1 s ASP 66 Ca -0.02 0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.42 1uw1 s ASP 66 Cb -0.03 -1.55 0.02 0.00 1.01 0.00 0.00 42.92 42.36 1uw1 s ASP 66 CO -0.00 0.35 -0.07 0.26 0.21 0.00 0.00 175.17 175.92 1uw1 s TRP 67 N -0.97 0.95 0.07 4.23 0.52 0.55 -4.96 118.94 119.34 1uw1 s TRP 67 Ca 0.16 -0.29 -0.31 0.00 0.02 0.00 0.00 56.10 55.68 1uw1 s TRP 67 Cb -0.12 -0.76 -0.07 0.00 -1.15 0.00 0.00 33.47 31.37 1uw1 s TRP 67 CO 0.05 -0.19 1.47 -1.17 0.02 0.00 0.00 176.95 177.13 1uw1 s LEU 68 N 0.71 4.35 0.00 2.99 2.96 -1.26 -0.25 118.68 128.18 1uw1 s LEU 68 Ca -0.11 2.32 0.23 0.00 -0.22 0.00 0.00 54.13 56.35 1uw1 s LEU 68 Cb -0.14 -3.57 1.01 0.00 0.50 0.00 0.00 46.19 43.99 1uw1 s LEU 68 CO 0.01 -0.74 1.69 0.23 -1.32 0.00 0.00 176.35 176.22 1uw1 n MET 69 N 4.77 1.46 -4.39 1.98 2.81 -0.46 -4.84 117.12 118.45 1uw1 n MET 69 Ca 0.13 -0.68 -0.24 0.00 -1.81 0.00 0.00 57.70 55.10 1uw1 n MET 69 Cb 0.42 -1.39 -0.09 0.00 -0.71 0.00 0.00 33.22 31.45 1uw1 n MET 69 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1uw1 s TYR 70 N -1.90 2.47 0.07 2.03 1.51 -1.26 -4.56 117.35 115.70 1uw1 s TYR 70 Ca 0.34 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1uw1 s TYR 70 Cb 0.17 -1.09 -0.23 0.00 -0.11 0.00 0.00 41.96 40.70 1uw1 s TYR 70 CO 0.27 0.66 1.09 0.00 -1.11 0.00 0.00 175.55 176.46 1uw1 h ALA 71 N 2.19 0.42 -3.12 3.71 0.00 -1.88 -3.45 119.26 117.13 1uw1 h ALA 71 Ca -0.42 -1.05 -0.65 0.00 0.00 0.00 0.00 54.91 52.79 1uw1 h ALA 71 Cb 1.25 0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.85 1uw1 h ALA 71 CO 0.59 1.29 -0.67 0.34 0.00 0.00 0.00 179.25 180.81 1uw1 s ASP 72 N -6.64 4.79 0.00 0.00 -1.08 -1.26 -4.99 116.67 107.49 1uw1 s ASP 72 Ca -0.02 -0.21 0.24 0.00 -0.52 0.00 0.00 52.55 52.04 1uw1 s ASP 72 Cb 0.09 -1.82 1.44 0.00 -1.46 0.00 0.00 42.92 41.18 1uw1 s ASP 72 CO 0.83 0.06 1.81 -1.54 0.52 0.00 0.00 175.17 176.85