#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq n ALA 6 N 0.00 3.99 -2.98 3.14 0.00 -1.26 -4.88 120.51 118.52 2waq n ALA 6 Ca 0.00 -3.65 -0.12 0.00 0.00 0.00 0.00 53.44 49.67 2waq n ALA 6 Cb 0.00 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 15.75 2waq n ALA 6 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2waq s GLN 7 N 4.30 0.18 0.09 0.00 -0.21 -1.26 -5.17 119.66 117.60 2waq s GLN 7 Ca 0.54 -0.06 0.05 0.00 0.02 0.00 0.00 55.36 55.91 2waq s GLN 7 Cb 0.09 0.08 -0.03 0.00 1.00 0.00 0.00 33.01 34.14 2waq s GLN 7 CO 0.03 -0.03 -0.13 -2.00 -2.12 0.00 0.00 175.29 171.04 2waq s GLU 8 N -0.37 0.88 -0.19 2.91 2.12 -1.26 -4.60 118.70 118.19 2waq s GLU 8 Ca -0.04 -1.08 -0.01 0.00 0.36 0.00 0.00 54.97 54.20 2waq s GLU 8 Cb -0.03 -0.78 0.00 0.00 0.26 0.00 0.00 34.13 33.58 2waq s GLU 8 CO 0.00 0.16 -0.13 0.42 -0.54 0.00 0.00 175.26 175.17 2waq s ILE 9 N -1.78 2.70 -0.13 -3.70 1.01 -1.12 -5.05 121.20 113.13 2waq s ILE 9 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2waq s ILE 9 Cb -0.07 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2waq s ILE 9 CO 0.02 0.49 -0.21 -0.63 0.00 0.00 0.00 174.94 174.61 2waq s ILE 10 N 1.25 2.24 0.02 2.92 -1.09 -1.26 -2.28 121.20 123.00 2waq s ILE 10 Ca 0.03 -0.93 0.07 0.00 -2.23 0.00 0.00 60.65 57.58 2waq s ILE 10 Cb -0.14 -1.90 -0.02 0.00 -1.58 0.00 0.00 42.46 38.82 2waq s ILE 10 CO -0.06 0.54 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.23 2waq s LEU 11 N 0.64 2.11 -0.51 2.97 1.02 -0.27 -4.99 118.68 119.64 2waq s LEU 11 Ca -0.11 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.62 2waq s LEU 11 Cb -0.16 -0.98 0.13 0.00 0.02 0.00 0.00 46.19 45.20 2waq s LEU 11 CO 0.02 0.19 0.27 -0.94 0.02 0.00 0.00 176.35 175.92 2waq s SER 12 N -0.84 4.68 0.29 2.29 1.04 -1.26 0.35 113.70 120.25 2waq s SER 12 Ca 0.07 -2.78 0.07 0.00 0.48 0.00 0.00 55.95 53.79 2waq s SER 12 Cb -0.08 -1.71 -0.03 0.00 0.10 0.00 0.00 66.02 64.30 2waq s SER 12 CO 0.01 -0.31 0.27 0.00 0.98 0.00 0.00 173.24 174.18 2waq s GLU 14 N -3.94 1.41 0.17 0.00 2.02 -1.18 -0.94 118.70 116.24 2waq s GLU 14 Ca 0.37 -0.59 -0.22 0.00 0.02 0.00 0.00 54.97 54.55 2waq s GLU 14 Cb -0.07 -1.34 -0.08 0.00 0.10 0.00 0.00 34.13 32.74 2waq s GLU 14 CO 0.26 0.33 0.72 0.42 0.02 0.00 0.00 175.26 177.01 2waq s ILE 15 N -0.31 4.52 -0.11 -1.63 1.01 -1.15 -0.91 121.20 122.61 2waq s ILE 15 Ca 0.05 1.45 -0.11 0.00 0.00 0.00 0.00 60.65 62.03 2waq s ILE 15 Cb -0.07 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2waq s ILE 15 CO -0.00 0.41 -0.22 0.59 0.00 0.00 0.00 174.94 175.72 2waq n ASN 16 N 1.28 1.23 -3.85 3.58 5.03 0.11 -4.19 115.26 118.45 2waq n ASN 16 Ca -0.05 0.22 -0.12 0.00 0.87 0.00 0.00 54.58 55.50 2waq n ASN 16 Cb 0.50 -0.66 -0.10 0.00 -1.02 0.00 0.00 39.78 38.50 2waq n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2waq s SER 17 N -5.20 -0.03 -0.39 6.41 1.04 -1.19 -4.63 113.70 109.70 2waq s SER 17 Ca -0.18 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 2waq s SER 17 Cb 0.02 0.24 0.10 0.00 0.10 0.00 0.00 66.02 66.48 2waq s SER 17 CO 0.27 -0.33 0.18 -0.63 0.98 0.00 0.00 173.24 173.70 2waq s ILE 18 N -1.16 3.36 0.12 -1.02 -1.09 -1.26 -2.04 121.20 118.12 2waq s ILE 18 Ca -0.12 -1.85 0.07 0.00 -2.23 0.00 0.00 60.65 56.51 2waq s ILE 18 Cb -0.06 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 2waq s ILE 18 CO 0.02 -0.57 -0.16 -1.61 -1.23 0.00 0.00 174.94 171.38 2waq s GLU 19 N 1.20 1.09 0.76 2.79 2.02 -0.91 -4.96 118.70 120.68 2waq s GLU 19 Ca 0.05 -1.24 -0.11 0.00 0.02 0.00 0.00 54.97 53.69 2waq s GLU 19 Cb -0.22 -1.11 0.05 0.00 0.10 0.00 0.00 34.13 32.95 2waq s GLU 19 CO -0.03 0.23 1.10 1.03 0.02 0.00 0.00 175.26 177.61 2waq s ARG 20 N -2.47 2.40 0.00 1.61 0.52 -1.26 0.55 118.95 120.31 2waq s ARG 20 Ca 0.09 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.84 2waq s ARG 20 Cb -0.07 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2waq s ARG 20 CO 0.04 -1.38 0.00 0.41 0.02 0.00 0.00 175.30 174.40 2waq n GLY 21 N -2.54 1.28 0.06 -3.53 0.00 -0.99 -4.68 105.19 94.78 2waq n GLY 21 Ca 0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 2waq n GLY 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2waq n SER 22 N 0.00 1.35 -4.84 1.61 3.41 -1.26 -4.97 113.62 108.91 2waq n SER 22 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2waq n SER 22 Cb 0.00 1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.95 2waq n SER 22 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2waq s LEU 23 N -4.87 4.44 0.41 1.04 1.02 -1.26 -5.07 118.68 114.39 2waq s LEU 23 Ca -0.07 0.93 -0.26 0.00 0.02 0.00 0.00 54.13 54.75 2waq s LEU 23 Cb 0.06 -2.72 -0.08 0.00 0.02 0.00 0.00 46.19 43.46 2waq s LEU 23 CO 0.62 0.28 1.30 -0.54 0.02 0.00 0.00 176.35 178.03 2waq s LYS 24 N -1.33 3.92 -1.06 1.70 1.02 -1.26 -2.88 119.74 119.86 2waq s LYS 24 Ca 0.27 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.40 2waq s LYS 24 Cb -0.16 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 2waq s LYS 24 CO 0.15 -0.53 0.00 0.09 -0.92 0.00 0.00 175.35 174.14 2waq n ASN 25 N 0.05 -3.91 -3.89 2.83 3.02 -1.26 -5.04 115.26 107.06 2waq n ASN 25 Ca 0.04 -0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.37 2waq n ASN 25 Cb 0.44 -3.09 -0.17 0.00 -0.61 0.00 0.00 39.78 36.35 2waq n ASN 25 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2waq s LEU 26 N -3.50 1.24 0.04 3.41 1.98 -1.14 -3.92 118.68 116.79 2waq s LEU 26 Ca 0.00 -0.17 0.04 0.00 -2.89 0.00 0.00 54.13 51.11 2waq s LEU 26 Cb 0.00 -0.56 -0.02 0.00 0.66 0.00 0.00 46.19 46.27 2waq s LEU 26 CO 0.00 -0.07 -0.13 -0.44 -1.89 0.00 0.00 176.35 173.82 2waq s SER 27 N 1.15 1.51 -0.17 3.68 0.01 -0.77 -2.35 113.70 116.77 2waq s SER 27 Ca -0.07 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 2waq s SER 27 Cb -0.14 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 2waq s SER 27 CO -0.01 0.02 0.05 -0.63 0.41 0.00 0.00 173.24 173.08 2waq s ILE 28 N -0.84 4.73 -0.42 1.44 -1.09 0.19 -1.16 121.20 124.06 2waq s ILE 28 Ca 0.01 -0.06 -0.10 0.00 -2.23 0.00 0.00 60.65 58.27 2waq s ILE 28 Cb -0.08 -3.11 0.07 0.00 -1.58 0.00 0.00 42.46 37.76 2waq s ILE 28 CO 0.01 0.48 0.26 -0.63 -1.23 0.00 0.00 174.94 173.83 2waq s ILE 29 N 0.23 4.34 -0.19 2.92 1.01 -1.14 -2.15 121.20 126.22 2waq s ILE 29 Ca 0.04 -1.31 -0.18 0.00 0.00 0.00 0.00 60.65 59.19 2waq s ILE 29 Cb -0.12 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2waq s ILE 29 CO 0.01 -0.48 0.50 -1.00 0.00 0.00 0.00 174.94 173.96 2waq s HIS 30 N 1.46 3.38 -0.12 3.97 3.76 -0.87 -2.41 115.29 124.46 2waq s HIS 30 Ca 0.03 0.76 0.02 0.00 -0.15 0.00 0.00 55.06 55.71 2waq s HIS 30 Cb -0.23 -2.64 0.01 0.00 1.11 0.00 0.00 32.58 30.84 2waq s HIS 30 CO 0.03 -0.07 -0.17 -1.64 -0.85 0.00 0.00 174.74 172.04 2waq s MET 31 N 1.52 2.42 -0.40 1.40 -1.94 0.80 0.07 119.30 123.18 2waq s MET 31 Ca 0.23 -0.63 -0.22 0.00 -1.71 0.00 0.00 55.69 53.36 2waq s MET 31 Cb -0.15 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.66 2waq s MET 31 CO 0.09 -0.06 0.74 -1.54 -0.01 0.00 0.00 175.02 174.24 2waq s SER 32 N 0.98 6.46 0.52 3.03 1.04 -0.09 -1.32 113.70 124.31 2waq s SER 32 Ca -0.06 0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.52 2waq s SER 32 Cb -0.15 -2.37 0.02 0.00 0.10 0.00 0.00 66.02 63.62 2waq s SER 32 CO -0.02 -0.76 0.36 0.00 0.98 0.00 0.00 173.24 173.80 2waq s ASN 34 N -4.21 4.92 -1.67 0.00 0.01 -1.26 -3.39 114.94 109.33 2waq s ASN 34 Ca 0.34 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 2waq s ASN 34 Cb -0.02 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2waq s ASN 34 CO 0.21 -3.00 0.00 0.47 -1.51 0.00 0.00 177.10 173.27 2waq n ASP 35 N 14.77 -5.17 -3.08 -1.22 8.00 -1.26 -4.92 116.55 123.67 2waq n ASP 35 Ca 0.42 0.39 -0.19 0.00 0.71 0.00 0.00 54.79 56.11 2waq n ASP 35 Cb 0.46 -4.06 -0.03 0.00 -0.02 0.00 0.00 41.12 37.47 2waq n ASP 35 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2waq n PHE 36 N -2.45 -1.02 -1.71 1.24 3.01 -1.22 -4.74 117.46 110.58 2waq n PHE 36 Ca -0.16 -3.16 -0.43 0.00 1.01 0.00 0.00 57.45 54.71 2waq n PHE 36 Cb 0.56 0.11 -0.01 0.00 -0.01 0.00 0.00 39.48 40.14 2waq n PHE 36 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2waq n ASN 37 N 1.28 2.98 -3.99 4.37 3.02 -1.10 -4.17 115.26 117.65 2waq n ASN 37 Ca 0.18 1.19 -0.17 0.00 -0.03 0.00 0.00 54.58 55.76 2waq n ASN 37 Cb 0.57 -1.50 -0.14 0.00 -0.61 0.00 0.00 39.78 38.10 2waq n ASN 37 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2waq s ILE 38 N -0.78 0.54 0.08 2.41 1.01 -0.44 -2.42 121.20 121.61 2waq s ILE 38 Ca 0.59 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.97 2waq s ILE 38 Cb -0.57 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2waq s ILE 38 CO 0.58 0.14 -0.12 -0.94 0.00 0.00 0.00 174.94 174.61 2waq s SER 39 N -0.19 1.52 0.20 3.58 1.04 -0.95 -0.14 113.70 118.75 2waq s SER 39 Ca 0.02 -0.70 0.11 0.00 0.48 0.00 0.00 55.95 55.86 2waq s SER 39 Cb -0.03 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2waq s SER 39 CO -0.00 -0.17 -0.22 -0.36 0.98 0.00 0.00 173.24 173.47 2waq s PHE 40 N -1.81 2.17 -0.20 5.02 0.40 -1.01 -2.94 117.98 119.62 2waq s PHE 40 Ca 0.01 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 2waq s PHE 40 Cb -0.07 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 2waq s PHE 40 CO 0.01 0.48 0.27 -0.51 0.70 0.00 0.00 175.22 176.18 2waq s ASP 41 N -2.78 6.33 0.02 1.36 1.01 -1.11 -2.87 116.67 118.63 2waq s ASP 41 Ca 0.21 0.38 0.05 0.00 0.71 0.00 0.00 52.55 53.89 2waq s ASP 41 Cb -0.07 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 2waq s ASP 41 CO 0.10 0.05 -0.14 -0.63 0.21 0.00 0.00 175.17 174.76 2waq s ILE 42 N 0.83 1.11 0.05 0.77 -1.09 -0.31 -4.88 121.20 117.69 2waq s ILE 42 Ca 0.14 -0.87 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 2waq s ILE 42 Cb -0.13 -0.98 -0.04 0.00 -1.58 0.00 0.00 42.46 39.72 2waq s ILE 42 CO 0.04 0.11 0.08 -0.63 -1.23 0.00 0.00 174.94 173.31 2waq s ILE 43 N -0.67 4.59 0.21 2.92 -1.09 -1.26 -1.84 121.20 124.05 2waq s ILE 43 Ca 0.03 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 57.76 2waq s ILE 43 Cb -0.07 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 2waq s ILE 43 CO 0.01 0.20 1.61 0.44 -1.23 0.00 0.00 174.94 175.97 2waq h ASP 44 N 3.58 0.78 0.31 3.58 3.32 -1.89 -1.10 116.42 124.99 2waq h ASP 44 Ca -0.47 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.17 2waq h ASP 44 Cb 1.17 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2waq h ASP 44 CO 0.65 1.00 -0.47 0.77 -1.72 0.00 0.00 179.24 179.47 2waq h SER 45 N 0.65 0.20 0.86 6.45 4.64 -1.96 -1.95 113.55 122.44 2waq h SER 45 Ca 0.08 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2waq h SER 45 Cb 0.78 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2waq h SER 45 CO 0.06 0.65 0.00 0.40 -0.87 0.00 0.00 176.83 177.07 2waq h ILE 46 N 0.16 0.00 -1.50 0.95 1.08 -1.86 -3.49 117.51 112.85 2waq h ILE 46 Ca 0.01 -0.39 0.10 0.00 -0.39 0.00 0.00 64.86 64.19 2waq h ILE 46 Cb 0.89 1.31 -0.06 0.00 -3.07 0.00 0.00 36.82 35.89 2waq h ILE 46 CO 0.07 0.00 -0.50 0.59 -0.69 0.00 0.00 178.15 177.62 2waq n ASN 47 N -2.84 -3.35 -3.69 1.72 5.03 -0.46 -4.95 115.26 106.72 2waq n ASN 47 Ca 0.01 0.67 -0.19 0.00 0.87 0.00 0.00 54.58 55.94 2waq n ASN 47 Cb 0.27 -1.92 -0.03 0.00 -1.02 0.00 0.00 39.78 37.08 2waq n ASN 47 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2waq n ILE 48 N -2.68 0.00 -4.33 2.41 5.41 -1.26 -4.72 119.36 114.19 2waq n ILE 48 Ca -0.03 -1.43 -0.25 0.00 1.00 0.00 0.00 62.75 62.04 2waq n ILE 48 Cb 0.26 0.11 -0.09 0.00 -0.71 0.00 0.00 39.64 39.22 2waq n ILE 48 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2waq s PHE 49 N -1.97 2.56 0.48 1.39 0.40 -1.26 -5.13 117.98 114.45 2waq s PHE 49 Ca 0.07 -0.51 -0.21 0.00 -0.60 0.00 0.00 56.93 55.68 2waq s PHE 49 Cb -0.01 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.80 2waq s PHE 49 CO 0.04 0.40 1.08 0.45 0.70 0.00 0.00 175.22 177.90 2waq s SER 50 N -3.76 6.25 0.25 1.36 0.15 -1.26 -4.96 113.70 111.73 2waq s SER 50 Ca 0.36 2.06 -0.05 0.00 0.70 0.00 0.00 55.95 59.02 2waq s SER 50 Cb 0.02 -2.58 0.49 0.00 -1.71 0.00 0.00 66.02 62.25 2waq s SER 50 CO 0.20 -0.85 1.66 1.56 1.20 0.00 0.00 173.24 177.01 2waq h GLN 51 N 1.72 0.17 -3.97 5.44 4.20 -1.93 -3.36 115.11 117.38 2waq h GLN 51 Ca -0.49 -0.01 -0.53 0.00 0.06 0.00 0.00 58.65 57.68 2waq h GLN 51 Cb 1.23 -0.04 -0.38 0.00 0.30 0.00 0.00 27.48 28.59 2waq h GLN 51 CO 0.59 0.11 -0.78 0.21 -0.67 0.00 0.00 178.83 178.30 2waq s LYS 52 N -6.06 1.15 -0.19 1.46 2.20 -1.26 -3.46 119.74 113.59 2waq s LYS 52 Ca -0.13 -0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 54.89 2waq s LYS 52 Cb 0.22 -1.87 0.05 0.00 -1.51 0.00 0.00 37.83 34.72 2waq s LYS 52 CO 0.76 -0.45 0.52 -2.00 -0.36 0.00 0.00 175.35 173.81 2waq s GLU 53 N 1.73 0.61 -0.30 4.03 2.12 -1.26 -4.93 118.70 120.71 2waq s GLU 53 Ca 0.01 0.71 -0.29 0.00 0.36 0.00 0.00 54.97 55.76 2waq s GLU 53 Cb -0.15 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.55 2waq s GLU 53 CO -0.07 -0.08 1.18 0.15 -0.54 0.00 0.00 175.26 175.90 2waq s LYS 54 N 0.24 4.02 0.28 4.30 1.02 -1.26 -2.91 119.74 125.44 2waq s LYS 54 Ca -0.00 1.19 0.07 0.00 0.02 0.00 0.00 55.97 57.25 2waq s LYS 54 Cb -0.04 -3.79 -0.06 0.00 -0.52 0.00 0.00 37.83 33.42 2waq s LYS 54 CO 0.01 -0.97 -0.06 0.54 -0.92 0.00 0.00 175.35 173.95 2waq s VAL 55 N 3.91 1.67 -0.11 3.17 0.11 -0.11 -4.94 120.40 124.10 2waq s VAL 55 Ca 0.50 -2.13 0.04 0.00 -2.93 0.00 0.00 61.98 57.46 2waq s VAL 55 Cb -0.15 -2.47 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 2waq s VAL 55 CO 0.18 -0.29 -0.23 -0.54 -3.33 0.00 0.00 175.10 170.90 2waq s LYS 56 N -3.72 2.96 -0.21 1.54 1.02 -0.64 -1.68 119.74 119.00 2waq s LYS 56 Ca 0.30 -0.85 -0.06 0.00 0.02 0.00 0.00 55.97 55.38 2waq s LYS 56 Cb 0.04 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 2waq s LYS 56 CO 0.12 0.13 0.04 0.00 -0.92 0.00 0.00 175.35 174.72 2waq s ALA 57 N 0.46 3.15 -0.13 5.17 0.00 0.16 -1.71 121.76 128.85 2waq s ALA 57 Ca -0.16 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 2waq s ALA 57 Cb -0.17 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 2waq s ALA 57 CO 0.06 -0.20 -0.12 -0.06 0.00 0.00 0.00 175.76 175.45 2waq s PHE 58 N 1.09 2.84 -0.22 0.00 0.40 -1.25 -1.11 117.98 119.72 2waq s PHE 58 Ca 0.03 -0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 2waq s PHE 58 Cb -0.14 -1.86 0.07 0.00 0.51 0.00 0.00 43.02 41.60 2waq s PHE 58 CO 0.02 -0.19 0.08 0.42 0.70 0.00 0.00 175.22 176.25 2waq s ILE 59 N 0.35 0.29 0.29 0.64 1.09 -0.96 -1.40 121.20 121.50 2waq s ILE 59 Ca -0.10 -0.59 -0.13 0.00 -1.10 0.00 0.00 60.65 58.73 2waq s ILE 59 Cb -0.16 -0.98 0.01 0.00 -1.06 0.00 0.00 42.46 40.27 2waq s ILE 59 CO 0.05 -0.38 0.56 -0.55 -0.10 0.00 0.00 174.94 174.52 2waq s SER 60 N 1.95 0.08 -0.15 3.58 0.15 -1.17 -2.80 113.70 115.33 2waq s SER 60 Ca 0.03 -1.01 0.16 0.00 0.70 0.00 0.00 55.95 55.82 2waq s SER 60 Cb -0.17 0.66 0.55 0.00 -1.71 0.00 0.00 66.02 65.35 2waq s SER 60 CO -0.16 -1.28 1.45 0.29 1.20 0.00 0.00 173.24 174.74 2waq n LYS 61 N -0.45 3.23 -0.02 5.44 5.02 -1.26 -0.52 118.16 129.60 2waq n LYS 61 Ca -0.03 -2.76 0.01 0.00 -2.02 0.00 0.00 58.31 53.51 2waq n LYS 61 Cb 0.61 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 2waq n LYS 61 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2waq n ASN 62 N -0.08 1.78 0.00 4.39 5.03 -1.26 -4.98 115.26 120.13 2waq n ASN 62 Ca 0.21 -1.62 0.00 0.00 0.87 0.00 0.00 54.58 54.04 2waq n ASN 62 Cb 0.86 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.59 2waq n ASN 62 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2waq n ARG 63 N -0.10 0.00 -0.81 3.52 1.74 -1.26 -4.89 116.66 114.86 2waq n ARG 63 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2waq n ARG 63 Cb 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 2waq n ARG 63 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2waq n LEU 64 N 0.00 -1.26 -4.69 0.55 7.94 -1.26 -4.91 117.00 113.38 2waq n LEU 64 Ca 0.00 1.52 -0.36 0.00 -1.11 0.00 0.00 56.01 56.06 2waq n LEU 64 Cb 0.00 -1.08 0.09 0.00 0.53 0.00 0.00 43.42 42.96 2waq n LEU 64 CO 0.00 -0.08 0.76 -1.54 -1.11 0.00 0.00 177.39 175.42 2waq n SER 65 N -1.48 1.33 -4.04 1.96 3.41 -1.26 -5.05 113.62 108.48 2waq n SER 65 Ca 0.00 0.72 -0.10 0.00 -0.26 0.00 0.00 58.87 59.23 2waq n SER 65 Cb 0.12 -1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 62.50 2waq n SER 65 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2waq s TYR 66 N -1.71 0.54 0.36 7.33 1.13 -1.26 -5.12 117.35 118.62 2waq s TYR 66 Ca 0.78 -0.87 0.04 0.00 -1.41 0.00 0.00 57.07 55.60 2waq s TYR 66 Cb -0.35 0.03 -0.05 0.00 -1.10 0.00 0.00 41.96 40.49 2waq s TYR 66 CO 0.46 -0.92 0.08 0.99 -2.51 0.00 0.00 175.55 173.64 2waq s THR 67 N -4.04 1.02 -2.00 -3.49 2.01 -1.26 -5.01 115.64 102.87 2waq s THR 67 Ca 0.26 -2.00 0.12 0.00 0.31 0.00 0.00 61.69 60.38 2waq s THR 67 Cb 0.01 -2.64 0.34 0.00 0.01 0.00 0.00 72.50 70.22 2waq s THR 67 CO 0.10 0.00 1.18 0.59 -0.69 0.00 0.00 174.62 175.79 2waq n ASN 68 N -0.89 0.00 -1.38 3.53 3.02 -1.26 -2.91 115.26 115.36 2waq n ASN 68 Ca -0.04 -0.80 0.10 0.00 -0.03 0.00 0.00 54.58 53.80 2waq n ASN 68 Cb 0.66 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 40.15 2waq n ASN 68 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2waq n ASP 69 N -0.82 4.32 -4.34 6.41 10.43 -1.26 -4.99 116.55 126.30 2waq n ASP 69 Ca 0.09 -2.32 -0.29 0.00 2.57 0.00 0.00 54.79 54.84 2waq n ASP 69 Cb 0.04 -0.52 -0.08 0.00 1.84 0.00 0.00 41.12 42.41 2waq n ASP 69 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2waq s ASP 70 N -1.01 3.34 -0.22 -2.24 -0.00 -1.15 -4.70 116.67 110.71 2waq s ASP 70 Ca 0.47 -1.69 0.02 0.00 -0.00 0.00 0.00 52.55 51.35 2waq s ASP 70 Cb 0.29 0.55 0.04 0.00 -0.00 0.00 0.00 42.92 43.80 2waq s ASP 70 CO 0.25 -0.92 -0.16 0.12 -0.00 0.00 0.00 175.17 174.46 2waq s PHE 71 N -3.07 2.99 0.02 4.23 5.36 -1.03 -5.02 117.98 121.45 2waq s PHE 71 Ca 0.16 -1.95 -0.03 0.00 -0.96 0.00 0.00 56.93 54.15 2waq s PHE 71 Cb 0.02 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.76 2waq s PHE 71 CO 0.10 -0.84 0.04 0.00 -1.46 0.00 0.00 175.22 173.06 2waq n GLY 73 N 1.34 2.20 3.55 0.00 0.00 -0.48 -4.97 105.19 106.83 2waq n GLY 73 Ca -0.22 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 2waq n GLY 73 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2waq s HIS 74 N -3.80 -0.69 0.08 1.61 -3.43 -1.26 -2.45 115.29 105.35 2waq s HIS 74 Ca 0.00 1.42 -0.14 0.00 -0.80 0.00 0.00 55.06 55.54 2waq s HIS 74 Cb 0.00 0.34 0.05 0.00 -1.43 0.00 0.00 32.58 31.54 2waq s HIS 74 CO 0.00 -0.50 0.66 0.41 -2.00 0.00 0.00 174.74 173.31 2waq n GLY 75 N 1.68 0.75 0.00 -1.38 0.00 -0.74 -4.36 105.19 101.14 2waq n GLY 75 Ca -0.17 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2waq n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2waq n TYR 76 N -0.47 -2.82 -4.15 1.61 4.01 -1.07 -0.38 117.16 113.88 2waq n TYR 76 Ca -0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 2waq n TYR 76 Cb 0.35 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.26 2waq n TYR 76 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2waq s ILE 77 N 0.97 0.65 0.04 -0.72 1.01 -1.26 -2.39 121.20 119.51 2waq s ILE 77 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2waq s ILE 77 Cb 0.00 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 2waq s ILE 77 CO 0.00 -0.16 -0.09 -0.69 0.00 0.00 0.00 174.94 173.99 2waq s VAL 78 N -0.93 0.70 0.00 2.92 1.01 -0.85 -4.75 120.40 118.50 2waq s VAL 78 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2waq s VAL 78 Cb -0.07 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2waq s VAL 78 CO 0.00 -0.26 -0.00 -0.89 0.00 0.00 0.00 175.10 173.95 2waq s THR 79 N -1.18 0.02 0.00 3.92 2.01 -1.26 -1.30 115.64 117.84 2waq s THR 79 Ca -0.06 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2waq s THR 79 Cb -0.09 -0.04 0.00 0.00 0.01 0.00 0.00 72.50 72.38 2waq s THR 79 CO 0.01 -0.05 0.00 -1.84 -0.69 0.00 0.00 174.62 172.05 2waq n GLU 80 N 2.93 0.00 0.00 4.92 0.28 -1.26 -4.99 120.64 122.52 2waq n GLU 80 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 2waq n GLU 80 Cb 0.59 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.46 2waq n GLU 80 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2waq n LEU 81 N -0.78 0.00 -4.27 -1.84 4.32 -1.26 -5.03 117.00 108.15 2waq n LEU 81 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 2waq n LEU 81 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 2waq n LEU 81 CO 0.00 0.00 -0.43 -1.59 -1.22 0.00 0.00 177.39 174.15 2waq s LYS 82 N -1.96 1.11 0.33 3.23 -2.85 -1.26 -4.81 119.74 113.52 2waq s LYS 82 Ca 0.00 -1.39 -0.15 0.00 -1.00 0.00 0.00 55.97 53.43 2waq s LYS 82 Cb 0.00 -0.86 -0.09 0.00 -2.06 0.00 0.00 37.83 34.83 2waq s LYS 82 CO 0.00 0.14 0.74 0.34 0.10 0.00 0.00 175.35 176.67 2waq s ASP 83 N -2.90 6.76 -0.26 0.03 3.68 -1.01 -4.67 116.67 118.29 2waq s ASP 83 Ca 0.15 1.27 -0.01 0.00 2.13 0.00 0.00 52.55 56.09 2waq s ASP 83 Cb -0.01 -2.37 0.13 0.00 -1.45 0.00 0.00 42.92 39.21 2waq s ASP 83 CO 0.03 -0.21 0.30 -0.94 0.13 0.00 0.00 175.17 174.48 2waq s SER 84 N -2.31 1.28 -0.12 -0.34 1.04 -0.42 -0.96 113.70 111.87 2waq s SER 84 Ca 0.54 -0.45 -0.08 0.00 0.48 0.00 0.00 55.95 56.44 2waq s SER 84 Cb -0.10 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2waq s SER 84 CO 0.18 -0.36 0.16 -0.94 0.98 0.00 0.00 173.24 173.27 2waq s SER 85 N 2.40 6.41 -0.18 7.02 1.04 -0.71 -2.00 113.70 127.69 2waq s SER 85 Ca 0.09 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 57.01 2waq s SER 85 Cb -0.14 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.89 2waq s SER 85 CO -0.25 0.38 -0.14 -0.55 0.98 0.00 0.00 173.24 173.66 2waq s SER 86 N -0.90 3.67 -1.42 7.02 0.15 -1.01 0.02 113.70 121.23 2waq s SER 86 Ca 0.15 -0.50 -0.14 0.00 0.70 0.00 0.00 55.95 56.16 2waq s SER 86 Cb -0.12 -1.58 0.06 0.00 -1.71 0.00 0.00 66.02 62.66 2waq s SER 86 CO 0.04 0.04 2.14 0.59 1.20 0.00 0.00 173.24 177.25 2waq n ASN 87 N 4.40 4.12 -4.31 5.45 4.13 -0.37 -2.60 115.26 126.08 2waq n ASN 87 Ca -0.19 -2.88 -0.35 0.00 1.68 0.00 0.00 54.58 52.83 2waq n ASN 87 Cb 0.51 -1.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.05 2waq n ASN 87 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2waq n ASN 88 N 5.98 -1.28 0.00 6.41 3.02 -1.26 -3.11 115.26 125.02 2waq n ASN 88 Ca 0.50 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 2waq n ASN 88 Cb 0.39 -2.14 0.00 0.00 -0.61 0.00 0.00 39.78 37.42 2waq n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2waq n GLY 89 N -1.69 3.66 3.51 7.41 0.00 -1.26 -5.11 105.19 111.71 2waq n GLY 89 Ca -0.07 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2waq n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2waq s ASN 90 N -0.01 6.21 0.30 1.61 -0.87 -1.18 -5.06 114.94 115.94 2waq s ASN 90 Ca 0.00 -0.45 -0.28 0.00 -1.57 0.00 0.00 52.86 50.56 2waq s ASN 90 Cb 0.00 -2.22 -0.09 0.00 -0.02 0.00 0.00 41.25 38.91 2waq s ASN 90 CO 0.00 -0.50 1.02 -0.13 -2.57 0.00 0.00 177.10 174.91 2waq s ARG 91 N 2.16 4.59 -0.23 -0.60 0.52 -1.26 -1.24 118.95 122.89 2waq s ARG 91 Ca 0.13 1.57 -0.02 0.00 -0.52 0.00 0.00 55.73 56.89 2waq s ARG 91 Cb -0.17 -3.00 0.07 0.00 0.52 0.00 0.00 34.95 32.37 2waq s ARG 91 CO 0.13 0.23 0.03 0.71 0.02 0.00 0.00 175.30 176.43 2waq s TYR 92 N -1.36 1.43 0.20 -0.53 2.02 0.10 -2.74 117.35 116.47 2waq s TYR 92 Ca 0.47 -1.23 -0.17 0.00 -0.37 0.00 0.00 57.07 55.78 2waq s TYR 92 Cb -0.26 -1.29 -0.08 0.00 -0.40 0.00 0.00 41.96 39.94 2waq s TYR 92 CO 0.32 -0.71 0.65 0.42 -1.57 0.00 0.00 175.55 174.67 2waq s ILE 93 N 1.72 4.71 -0.34 2.71 -1.09 -1.15 -1.73 121.20 126.03 2waq s ILE 93 Ca 0.01 1.05 -0.01 0.00 -2.23 0.00 0.00 60.65 59.46 2waq s ILE 93 Cb -0.17 -3.78 0.12 0.00 -1.58 0.00 0.00 42.46 37.04 2waq s ILE 93 CO -0.12 0.18 0.16 -0.89 -1.23 0.00 0.00 174.94 173.04 2waq s THR 94 N -1.54 0.50 -0.07 2.92 2.01 -0.13 -2.24 115.64 117.09 2waq s THR 94 Ca 0.42 -1.48 -0.17 0.00 0.31 0.00 0.00 61.69 60.77 2waq s THR 94 Cb -0.15 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 2waq s THR 94 CO 0.20 -0.81 0.46 -0.63 -0.69 0.00 0.00 174.62 173.16 2waq s ILE 95 N 1.42 5.10 0.01 1.82 1.01 -1.02 -2.41 121.20 127.13 2waq s ILE 95 Ca 0.13 0.94 0.05 0.00 0.00 0.00 0.00 60.65 61.77 2waq s ILE 95 Cb -0.20 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2waq s ILE 95 CO -0.18 0.41 -0.14 -0.63 0.00 0.00 0.00 174.94 174.41 2waq s ILE 96 N 0.01 1.10 0.09 2.92 1.09 -1.26 -2.71 121.20 122.44 2waq s ILE 96 Ca 0.25 -0.77 -0.34 0.00 -1.10 0.00 0.00 60.65 58.69 2waq s ILE 96 Cb -0.16 -0.95 -0.16 0.00 -1.06 0.00 0.00 42.46 40.13 2waq s ILE 96 CO 0.12 0.17 1.58 0.28 -0.10 0.00 0.00 174.94 177.00 2waq h SER 97 N 5.41 -1.19 -3.69 3.58 0.02 -1.98 -3.46 113.55 112.24 2waq h SER 97 Ca -0.36 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 2waq h SER 97 Cb 1.17 0.39 -0.21 0.00 0.14 0.00 0.00 62.40 63.88 2waq h SER 97 CO 0.47 -0.62 0.08 -0.22 -1.14 0.00 0.00 176.83 175.40 2waq s LEU 98 N -10.13 -0.77 -0.16 5.07 2.96 -1.26 -5.09 118.68 109.30 2waq s LEU 98 Ca -0.18 1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 55.07 2waq s LEU 98 Cb 0.05 2.41 0.04 0.00 0.50 0.00 0.00 46.19 49.19 2waq s LEU 98 CO 0.61 -0.24 0.22 0.49 -1.32 0.00 0.00 176.35 176.11 2waq n PHE 99 N 3.19 -4.40 -3.46 5.38 3.01 -1.26 -5.09 117.46 114.83 2waq n PHE 99 Ca -0.16 2.57 -0.01 0.00 1.01 0.00 0.00 57.45 60.86 2waq n PHE 99 Cb 0.56 -3.82 0.01 0.00 -0.01 0.00 0.00 39.48 36.21 2waq n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2waq n GLY 100 N 1.78 1.28 4.84 1.37 0.00 -1.26 -5.02 105.19 108.18 2waq n GLY 100 Ca -0.38 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2waq n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2waq n LEU 101 N 0.00 0.00 -0.32 0.99 7.99 -1.26 -4.43 117.00 119.97 2waq n LEU 101 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.03 2waq n LEU 101 Cb 0.15 0.00 0.16 0.00 -0.11 0.00 0.00 43.42 43.62 2waq n LEU 101 CO 0.06 0.00 0.62 0.18 -1.51 0.00 0.00 177.39 176.74 2waq n LEU 102 N 0.00 0.93 -0.15 2.23 4.77 -1.26 -4.23 117.00 119.29 2waq n LEU 102 Ca 0.00 -0.45 -0.05 0.00 -0.03 0.00 0.00 56.01 55.48 2waq n LEU 102 Cb 0.00 -0.10 0.12 0.00 -2.33 0.00 0.00 43.42 41.11 2waq n LEU 102 CO 0.00 0.22 0.88 1.62 -1.33 0.00 0.00 177.39 178.79 2waq h VAL 103 N 1.05 1.25 -1.28 4.08 3.04 -1.97 -3.45 116.25 118.98 2waq h VAL 103 Ca 0.00 -1.02 -0.56 0.00 -1.01 0.00 0.00 66.70 64.12 2waq h VAL 103 Cb 0.24 0.80 -0.06 0.00 -2.01 0.00 0.00 31.29 30.26 2waq h VAL 103 CO 0.00 0.37 -0.42 -1.59 -1.01 0.00 0.00 177.57 174.92 2waq s LYS 104 N -5.05 2.31 -0.86 4.17 -2.85 -1.26 -5.02 119.74 111.18 2waq s LYS 104 Ca -0.10 -1.83 -0.26 0.00 -1.00 0.00 0.00 55.97 52.78 2waq s LYS 104 Cb 0.15 -2.09 -0.12 0.00 -2.06 0.00 0.00 37.83 33.70 2waq s LYS 104 CO 0.82 -0.27 2.25 0.42 0.10 0.00 0.00 175.35 178.67 2waq s ILE 105 N -2.62 3.14 -0.11 3.79 -1.09 -1.26 -4.90 121.20 118.15 2waq s ILE 105 Ca 0.40 -0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.69 2waq s ILE 105 Cb 0.01 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2waq s ILE 105 CO 0.23 -0.29 -0.15 -0.51 -1.23 0.00 0.00 174.94 172.99 2waq s ILE 106 N 13.73 2.91 0.17 2.92 -1.16 -1.26 -5.12 121.20 133.38 2waq s ILE 106 Ca 0.85 -0.73 -0.01 0.00 -0.51 0.00 0.00 60.65 60.25 2waq s ILE 106 Cb -0.10 -2.19 -0.04 0.00 0.61 0.00 0.00 42.46 40.74 2waq s ILE 106 CO 0.07 0.54 0.09 -0.44 -2.81 0.00 0.00 174.94 172.39 2waq s SER 107 N 0.13 0.32 0.00 4.50 0.01 -1.26 -5.03 113.70 112.36 2waq s SER 107 Ca -0.07 -1.29 -0.01 0.00 1.31 0.00 0.00 55.95 55.89 2waq s SER 107 Cb -0.15 0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 2waq s SER 107 CO 0.05 -0.77 1.79 0.59 0.41 0.00 0.00 173.24 175.31 2waq n ASN 108 N -0.19 3.93 -4.71 2.44 4.13 -1.26 -4.74 115.26 114.86 2waq n ASN 108 Ca -0.02 -2.08 -0.26 0.00 1.68 0.00 0.00 54.58 53.90 2waq n ASN 108 Cb 0.65 -0.88 -0.08 0.00 -1.54 0.00 0.00 39.78 37.92 2waq n ASN 108 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2waq s LYS 109 N 0.75 2.16 0.32 3.52 1.02 -1.26 -4.51 119.74 121.74 2waq s LYS 109 Ca 0.11 -1.93 -0.29 0.00 0.02 0.00 0.00 55.97 53.88 2waq s LYS 109 Cb 0.05 -1.88 -0.10 0.00 -0.52 0.00 0.00 37.83 35.38 2waq s LYS 109 CO 0.00 -0.12 1.36 -2.00 -0.92 0.00 0.00 175.35 173.67 2waq s GLU 110 N -3.86 4.30 -0.05 1.68 2.12 -1.26 -4.10 118.70 117.52 2waq s GLU 110 Ca 0.38 2.28 -0.05 0.00 0.36 0.00 0.00 54.97 57.95 2waq s GLU 110 Cb 0.05 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.40 2waq s GLU 110 CO 0.21 -0.28 0.14 -1.54 -0.54 0.00 0.00 175.26 173.25 2waq s SER 111 N -0.28 -0.14 -0.50 -1.70 1.04 0.48 -4.75 113.70 107.86 2waq s SER 111 Ca 0.51 0.29 -0.23 0.00 0.48 0.00 0.00 55.95 57.00 2waq s SER 111 Cb -0.41 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.02 2waq s SER 111 CO 0.53 -0.06 0.82 -0.36 0.98 0.00 0.00 173.24 175.14 2waq s PHE 112 N 0.21 2.93 -0.82 5.02 0.40 0.32 -1.80 117.98 124.24 2waq s PHE 112 Ca -0.01 -0.01 -0.22 0.00 -0.60 0.00 0.00 56.93 56.09 2waq s PHE 112 Cb -0.02 -3.79 0.08 0.00 0.51 0.00 0.00 43.02 39.79 2waq s PHE 112 CO -0.01 -1.13 1.16 -1.17 0.70 0.00 0.00 175.22 174.77 2waq s LEU 113 N 3.43 4.23 -0.79 -0.37 2.96 -1.03 -3.07 118.68 124.05 2waq s LEU 113 Ca 0.28 -1.32 0.02 0.00 -0.22 0.00 0.00 54.13 52.89 2waq s LEU 113 Cb -0.13 -2.46 0.20 0.00 0.50 0.00 0.00 46.19 44.30 2waq s LEU 113 CO 0.20 -1.40 0.67 0.29 -1.32 0.00 0.00 176.35 174.79 2waq n LYS 114 N 7.85 2.32 -2.06 1.98 5.02 -0.49 -1.38 118.16 131.39 2waq n LYS 114 Ca 0.13 -4.51 -0.42 0.00 -2.02 0.00 0.00 58.31 51.49 2waq n LYS 114 Cb 0.48 -2.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.12 2waq n LYS 114 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2waq s ILE 115 N -1.59 3.31 -0.15 -0.18 1.09 0.11 -3.83 121.20 119.96 2waq s ILE 115 Ca 0.28 0.75 -0.03 0.00 -1.10 0.00 0.00 60.65 60.55 2waq s ILE 115 Cb -0.03 -3.48 -0.02 0.00 -1.06 0.00 0.00 42.46 37.86 2waq s ILE 115 CO -0.13 0.00 -0.06 -1.00 -0.10 0.00 0.00 174.94 173.65 2waq s HIS 116 N 2.42 2.97 -2.00 3.97 3.76 -0.69 -2.46 115.29 123.25 2waq s HIS 116 Ca 0.69 -0.41 0.12 0.00 -0.15 0.00 0.00 55.06 55.31 2waq s HIS 116 Cb -0.36 -1.94 0.70 0.00 1.11 0.00 0.00 32.58 32.09 2waq s HIS 116 CO 0.30 -0.10 1.13 0.94 -0.85 0.00 0.00 174.74 176.16