#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsj s LYS 3 N 0.00 3.31 -0.13 -2.82 -2.85 -1.26 -4.99 119.74 111.00 2wsj s LYS 3 Ca 0.00 1.99 -0.28 0.00 -1.00 0.00 0.00 55.97 56.68 2wsj s LYS 3 Cb 0.00 -2.24 -0.01 0.00 -2.06 0.00 0.00 37.83 33.52 2wsj s LYS 3 CO 0.00 -0.98 0.95 0.99 0.10 0.00 0.00 175.35 176.41 2wsj s THR 4 N -1.44 4.81 -0.28 3.79 2.01 -1.26 -4.87 115.64 118.40 2wsj s THR 4 Ca 0.70 1.92 -0.18 0.00 0.31 0.00 0.00 61.69 64.44 2wsj s THR 4 Cb -0.34 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 67.88 2wsj s THR 4 CO 0.40 0.01 0.50 -0.36 -0.69 0.00 0.00 174.62 174.48 2wsj s PHE 5 N 2.07 3.25 0.00 4.92 0.40 -1.26 -4.91 117.98 122.45 2wsj s PHE 5 Ca 0.45 0.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 2wsj s PHE 5 Cb -0.18 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 40.61 2wsj s PHE 5 CO 0.16 -0.32 0.00 1.63 0.70 0.00 0.00 175.22 177.39 2wsj n LYS 6 N 5.56 1.30 -4.52 0.44 5.02 -1.26 -3.81 118.16 120.90 2wsj n LYS 6 Ca -0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 2wsj n LYS 6 Cb 0.50 -0.92 -0.11 0.00 -0.02 0.00 0.00 35.03 34.48 2wsj n LYS 6 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wsj s THR 7 N -1.85 1.92 0.32 -0.18 -4.23 -1.26 -3.39 115.64 106.97 2wsj s THR 7 Ca 0.00 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.39 2wsj s THR 7 Cb 0.00 -2.67 0.27 0.00 1.34 0.00 0.00 72.50 71.44 2wsj s THR 7 CO 0.00 -0.17 1.96 0.25 -0.54 0.00 0.00 174.62 176.12 2wsj h LEU 8 N 2.06 0.85 -0.41 4.79 5.85 -1.98 -2.84 115.31 123.62 2wsj h LEU 8 Ca -0.42 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.32 2wsj h LEU 8 Cb 1.24 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2wsj h LEU 8 CO 0.71 0.59 0.21 -0.78 -0.34 0.00 0.00 178.44 178.84 2wsj h ASP 9 N 0.99 0.32 -0.77 1.25 3.58 -1.96 -1.85 116.42 117.99 2wsj h ASP 9 Ca 0.31 0.02 0.16 0.00 0.42 0.00 0.00 57.03 57.95 2wsj h ASP 9 Cb 0.02 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 2wsj h ASP 9 CO -0.09 0.23 0.52 0.44 -2.88 0.00 0.00 179.24 177.46 2wsj h ASP 10 N 0.43 0.35 0.03 2.28 3.32 -1.91 -3.01 116.42 117.91 2wsj h ASP 10 Ca 0.18 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 2wsj h ASP 10 Cb 0.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2wsj h ASP 10 CO -0.11 0.17 -0.20 0.15 -1.72 0.00 0.00 179.24 177.53 2wsj h PHE 11 N 0.37 0.13 -2.56 4.55 3.57 -1.36 -3.45 116.94 118.18 2wsj h PHE 11 Ca 0.38 -0.09 -0.59 0.00 3.53 0.00 0.00 57.97 61.21 2wsj h PHE 11 Cb 0.96 -0.01 0.08 0.00 2.79 0.00 0.00 35.95 39.77 2wsj h PHE 11 CO -0.00 1.08 0.64 1.28 -2.23 0.00 0.00 178.31 179.07 2wsj n LEU 12 N -4.50 3.04 0.00 0.59 4.77 -0.81 -1.86 117.00 118.23 2wsj n LEU 12 Ca -0.11 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 2wsj n LEU 12 Cb 0.56 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2wsj n LEU 12 CO 0.37 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 2wsj n GLY 13 N 2.40 0.73 3.79 -0.72 0.00 0.11 -4.66 105.19 106.83 2wsj n GLY 13 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2wsj n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wsj s THR 14 N -2.49 4.79 -0.21 2.61 2.01 -0.78 -1.66 115.64 119.91 2wsj s THR 14 Ca 0.00 1.25 -0.03 0.00 0.31 0.00 0.00 61.69 63.22 2wsj s THR 14 Cb 0.00 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 2wsj s THR 14 CO 0.00 0.50 -0.07 -2.28 -0.69 0.00 0.00 174.62 172.08 2wsj s HIS 15 N -0.73 2.92 0.09 4.92 2.46 -0.34 -2.01 115.29 122.61 2wsj s HIS 15 Ca 0.30 -1.02 0.08 0.00 0.47 0.00 0.00 55.06 54.89 2wsj s HIS 15 Cb -0.19 -2.06 -0.04 0.00 -0.13 0.00 0.00 32.58 30.16 2wsj s HIS 15 CO 0.19 -0.56 -0.18 -0.06 -2.47 0.00 0.00 174.74 171.65 2wsj s PHE 16 N 1.38 2.54 -0.03 3.88 0.40 0.32 -0.62 117.98 125.85 2wsj s PHE 16 Ca 0.05 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 2wsj s PHE 16 Cb -0.14 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.01 2wsj s PHE 16 CO -0.04 0.34 -0.09 0.42 0.70 0.00 0.00 175.22 176.55 2wsj s ILE 17 N -1.07 0.80 -0.01 0.64 1.01 -1.04 -1.61 121.20 119.92 2wsj s ILE 17 Ca 0.17 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 2wsj s ILE 17 Cb -0.11 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.67 2wsj s ILE 17 CO 0.08 0.26 0.40 -0.72 0.00 0.00 0.00 174.94 174.96 2wsj s TYR 18 N 0.34 -0.29 -0.25 3.97 -0.85 -0.62 -1.01 117.35 118.64 2wsj s TYR 18 Ca -0.06 0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 56.89 2wsj s TYR 18 Cb -0.10 0.18 0.02 0.00 0.38 0.00 0.00 41.96 42.44 2wsj s TYR 18 CO 0.01 -0.47 -0.05 0.99 -1.52 0.00 0.00 175.55 174.50 2wsj s THR 19 N -1.58 2.99 0.96 -3.49 2.01 -0.67 -0.63 115.64 115.24 2wsj s THR 19 Ca -0.11 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.85 2wsj s THR 19 Cb -0.03 -2.49 0.17 0.00 0.01 0.00 0.00 72.50 70.16 2wsj s THR 19 CO 0.04 0.23 1.10 -0.31 -0.69 0.00 0.00 174.62 174.99 2wsj s TYR 20 N 1.36 1.76 -0.22 4.92 2.02 0.54 -1.44 117.35 126.29 2wsj s TYR 20 Ca 0.01 1.51 0.25 0.00 -0.37 0.00 0.00 57.07 58.48 2wsj s TYR 20 Cb -0.16 -3.21 1.21 0.00 -0.40 0.00 0.00 41.96 39.40 2wsj s TYR 20 CO -0.04 -2.93 1.77 -0.44 -1.57 0.00 0.00 175.55 172.34 2wsj h ASP 21 N -1.95 0.00 -0.03 2.29 3.32 -1.15 0.16 116.42 119.06 2wsj h ASP 21 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2wsj h ASP 21 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2wsj h ASP 21 CO 0.47 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.53 2wsj n ASN 22 N -2.39 0.94 0.00 6.45 0.23 -1.26 -4.94 115.26 114.29 2wsj n ASN 22 Ca 0.00 -1.37 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 2wsj n ASN 22 Cb 0.14 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2wsj n ASN 22 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wsj n GLY 23 N 1.08 0.88 3.63 4.83 0.00 0.55 -5.04 105.19 111.12 2wsj n GLY 23 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2wsj n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wsj s TRP 24 N -2.65 2.64 -0.19 1.61 0.23 -1.24 -4.72 118.94 114.61 2wsj s TRP 24 Ca 0.00 0.85 -0.24 0.00 -2.03 0.00 0.00 56.10 54.68 2wsj s TRP 24 Cb 0.00 -3.89 -0.02 0.00 0.03 0.00 0.00 33.47 29.59 2wsj s TRP 24 CO 0.00 -1.82 0.76 -2.00 0.96 0.00 0.00 176.95 174.85 2wsj s GLU 25 N 4.17 4.24 0.36 4.98 2.12 -1.26 -0.34 118.70 132.98 2wsj s GLU 25 Ca 0.57 0.86 0.08 0.00 0.36 0.00 0.00 54.97 56.85 2wsj s GLU 25 Cb -0.18 -3.59 -0.07 0.00 0.26 0.00 0.00 34.13 30.55 2wsj s GLU 25 CO 0.23 -0.34 -0.05 0.71 -0.54 0.00 0.00 175.26 175.27 2wsj s TYR 26 N 2.23 2.39 -0.05 5.30 1.51 0.20 -1.71 117.35 127.22 2wsj s TYR 26 Ca 0.34 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 2wsj s TYR 26 Cb -0.16 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2wsj s TYR 26 CO 0.11 0.50 0.12 -2.00 -1.11 0.00 0.00 175.55 173.17 2wsj s GLU 27 N -3.66 0.14 -0.20 -0.62 2.12 -0.60 -1.59 118.70 114.28 2wsj s GLU 27 Ca 0.33 0.18 -0.22 0.00 0.36 0.00 0.00 54.97 55.62 2wsj s GLU 27 Cb 0.05 0.05 0.06 0.00 0.26 0.00 0.00 34.13 34.55 2wsj s GLU 27 CO 0.17 -0.03 0.61 -0.46 -0.54 0.00 0.00 175.26 175.01 2wsj s TRP 28 N 0.14 -0.65 -0.05 5.30 -0.00 -0.63 -1.07 118.94 121.97 2wsj s TRP 28 Ca -0.01 1.54 0.00 0.00 -0.00 0.00 0.00 56.10 57.64 2wsj s TRP 28 Cb -0.02 0.24 0.02 0.00 -0.00 0.00 0.00 33.47 33.72 2wsj s TRP 28 CO -0.00 -0.35 -0.02 -0.47 -0.00 0.00 0.00 176.95 176.11 2wsj s TYR 29 N 0.12 0.62 -1.07 5.86 5.04 -0.09 -0.52 117.35 127.31 2wsj s TYR 29 Ca -0.02 -0.15 -0.21 0.00 -2.44 0.00 0.00 57.07 54.26 2wsj s TYR 29 Cb -0.04 -0.66 0.07 0.00 0.35 0.00 0.00 41.96 41.68 2wsj s TYR 29 CO 0.02 -0.23 1.46 0.00 -1.34 0.00 0.00 175.55 175.47 2wsj s ALA 30 N 1.32 2.97 0.07 3.97 0.00 -0.85 -2.21 121.76 127.02 2wsj s ALA 30 Ca -0.05 -2.50 -0.19 0.00 0.00 0.00 0.00 51.96 49.22 2wsj s ALA 30 Cb -0.13 -4.48 -0.10 0.00 0.00 0.00 0.00 23.12 18.41 2wsj s ALA 30 CO -0.02 -3.44 1.45 -0.22 0.00 0.00 0.00 175.76 173.53 2wsj h LYS 31 N 9.13 0.44 0.00 0.00 3.64 -1.69 0.32 116.57 128.42 2wsj h LYS 31 Ca 0.25 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2wsj h LYS 31 Cb 0.98 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2wsj h LYS 31 CO 1.39 0.69 0.00 0.27 -2.27 0.00 0.00 179.45 179.53 2wsj n ASN 32 N -4.57 0.00 0.00 4.20 0.23 -1.07 -0.91 115.26 113.14 2wsj n ASN 32 Ca -0.04 -0.84 0.08 0.00 -0.53 0.00 0.00 54.58 53.25 2wsj n ASN 32 Cb 0.30 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.40 2wsj n ASN 32 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2wsj n ASP 33 N -1.86 0.00 -0.21 0.53 3.85 -1.26 -3.18 116.55 114.42 2wsj n ASP 33 Ca 0.00 0.14 0.01 0.00 -0.71 0.00 0.00 54.79 54.23 2wsj n ASP 33 Cb 0.00 -0.33 0.01 0.00 -1.35 0.00 0.00 41.12 39.45 2wsj n ASP 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wsj n HIS 34 N -1.33 0.00 -3.76 2.11 1.44 -1.26 -4.04 115.22 108.38 2wsj n HIS 34 Ca 0.07 -0.08 -0.14 0.00 -2.01 0.00 0.00 57.72 55.56 2wsj n HIS 34 Cb 0.14 -0.03 -0.15 0.00 0.12 0.00 0.00 29.99 30.07 2wsj n HIS 34 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2wsj s THR 35 N -0.22 -0.05 0.05 0.61 2.01 -1.19 -1.62 115.64 115.23 2wsj s THR 35 Ca 0.02 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.27 2wsj s THR 35 Cb 0.02 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 2wsj s THR 35 CO 0.00 0.07 -0.21 0.68 -0.69 0.00 0.00 174.62 174.48 2wsj s VAL 36 N 1.10 1.69 0.03 3.82 -7.23 -0.06 -1.83 120.40 117.92 2wsj s VAL 36 Ca -0.09 -1.24 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 2wsj s VAL 36 Cb -0.11 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 2wsj s VAL 36 CO -0.05 0.18 -0.22 -1.81 -0.31 0.00 0.00 175.10 172.89 2wsj s ASP 37 N -1.25 3.45 0.11 4.85 1.01 -0.94 -1.66 116.67 122.24 2wsj s ASP 37 Ca 0.07 -0.48 -0.11 0.00 0.71 0.00 0.00 52.55 52.74 2wsj s ASP 37 Cb -0.09 -0.46 0.01 0.00 1.01 0.00 0.00 42.92 43.39 2wsj s ASP 37 CO 0.02 0.27 0.27 -0.72 0.21 0.00 0.00 175.17 175.22 2wsj s TYR 38 N -0.82 0.08 -0.16 4.23 1.13 0.13 -0.91 117.35 121.03 2wsj s TYR 38 Ca 0.12 -0.47 -0.08 0.00 -1.41 0.00 0.00 57.07 55.24 2wsj s TYR 38 Cb -0.10 0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.86 2wsj s TYR 38 CO 0.03 -0.62 0.37 0.50 -2.51 0.00 0.00 175.55 173.32 2wsj s ARG 39 N -3.86 0.34 -0.18 -3.49 3.52 -0.23 0.03 118.95 115.09 2wsj s ARG 39 Ca 0.06 0.74 -0.05 0.00 -0.13 0.00 0.00 55.73 56.35 2wsj s ARG 39 Cb 0.04 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 2wsj s ARG 39 CO -0.10 -0.17 -0.01 0.42 -0.81 0.00 0.00 175.30 174.64 2wsj s ILE 40 N 1.44 4.02 -0.30 4.11 1.01 0.67 -1.56 121.20 130.60 2wsj s ILE 40 Ca -0.09 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.34 2wsj s ILE 40 Cb -0.09 -2.80 -0.10 0.00 0.01 0.00 0.00 42.46 39.48 2wsj s ILE 40 CO -0.12 0.46 0.31 1.41 0.00 0.00 0.00 174.94 177.01 2wsj n HIS 41 N 3.87 0.00 -3.87 3.97 8.25 -0.69 -0.40 115.22 126.34 2wsj n HIS 41 Ca -0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.18 2wsj n HIS 41 Cb 0.52 -0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 2wsj n HIS 41 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wsj s GLY 42 N -2.07 0.06 0.00 -1.41 0.00 -0.92 -4.79 107.32 98.19 2wsj s GLY 42 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.53 2wsj s GLY 42 CO 0.35 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.71 2wsj n GLY 43 N 1.24 -1.01 0.37 0.20 0.00 -1.26 -4.14 105.19 100.59 2wsj n GLY 43 Ca -0.22 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.27 2wsj n GLY 43 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2wsj h MET 44 N 0.00 0.89 -0.82 1.61 1.85 -2.01 -2.88 114.93 113.57 2wsj h MET 44 Ca 0.00 -0.05 -0.50 0.00 -0.61 0.00 0.00 59.70 58.53 2wsj h MET 44 Cb 0.00 -0.20 -0.42 0.00 0.43 0.00 0.00 31.60 31.41 2wsj h MET 44 CO 0.00 0.59 -0.86 1.33 -0.40 0.00 0.00 176.91 177.56 2wsj n VAL 45 N -4.61 2.28 -2.04 -5.77 0.24 -1.26 -4.76 118.33 102.41 2wsj n VAL 45 Ca 0.19 -4.09 -0.42 0.00 -2.04 0.00 0.00 64.34 57.97 2wsj n VAL 45 Cb 0.39 -0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 31.98 2wsj n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wsj s ALA 46 N -3.61 3.69 0.00 2.33 0.00 -1.09 -2.67 121.76 120.41 2wsj s ALA 46 Ca 0.46 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2wsj s ALA 46 Cb 0.40 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2wsj s ALA 46 CO -0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2wsj n GLY 47 N 3.59 1.77 3.77 0.00 0.00 0.46 -4.95 105.19 109.83 2wsj n GLY 47 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2wsj n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wsj s ARG 48 N -0.07 4.20 0.01 1.61 3.52 -1.09 -4.38 118.95 122.75 2wsj s ARG 48 Ca 0.00 2.44 -0.06 0.00 -0.13 0.00 0.00 55.73 57.99 2wsj s ARG 48 Cb 0.00 -3.02 -0.00 0.00 -1.56 0.00 0.00 34.95 30.37 2wsj s ARG 48 CO 0.00 -0.43 0.10 1.67 -0.81 0.00 0.00 175.30 175.82 2wsj s TRP 49 N -0.91 0.11 0.01 5.12 1.48 -1.06 -0.23 118.94 123.46 2wsj s TRP 49 Ca 0.53 -0.26 0.03 0.00 -1.06 0.00 0.00 56.10 55.34 2wsj s TRP 49 Cb -0.44 -0.09 -0.01 0.00 -1.16 0.00 0.00 33.47 31.77 2wsj s TRP 49 CO 0.57 -0.28 -0.08 0.08 -4.06 0.00 0.00 176.95 173.18 2wsj s VAL 50 N -1.53 0.63 0.19 -0.66 1.01 0.10 -2.77 120.40 117.38 2wsj s VAL 50 Ca -0.14 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.32 2wsj s VAL 50 Cb -0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 2wsj s VAL 50 CO 0.00 0.00 -0.14 0.42 0.00 0.00 0.00 175.10 175.39 2wsj s THR 51 N -0.56 1.65 -1.53 3.92 -4.23 -1.26 -0.69 115.64 112.94 2wsj s THR 51 Ca -0.01 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.34 2wsj s THR 51 Cb -0.05 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.82 2wsj s THR 51 CO 0.00 -0.58 0.22 0.47 -0.54 0.00 0.00 174.62 174.19 2wsj n ASP 52 N -0.25 -5.37 -4.70 3.99 8.00 -1.20 -4.92 116.55 112.10 2wsj n ASP 52 Ca -0.09 -0.09 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 2wsj n ASP 52 Cb 0.60 -4.44 -0.03 0.00 -0.02 0.00 0.00 41.12 37.23 2wsj n ASP 52 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wsj s GLN 53 N -5.32 4.42 0.21 -1.24 2.00 -0.66 -4.89 119.66 114.18 2wsj s GLN 53 Ca 0.12 1.65 -0.30 0.00 -2.00 0.00 0.00 55.36 54.83 2wsj s GLN 53 Cb -0.06 -3.47 -0.08 0.00 0.80 0.00 0.00 33.01 30.20 2wsj s GLN 53 CO 0.15 -0.31 0.97 0.15 -0.50 0.00 0.00 175.29 175.75 2wsj s LYS 54 N 1.63 4.79 0.01 1.67 -0.14 -1.26 -0.88 119.74 125.56 2wsj s LYS 54 Ca 0.56 1.52 -0.15 0.00 -1.36 0.00 0.00 55.97 56.54 2wsj s LYS 54 Cb -0.25 -3.29 0.02 0.00 -1.68 0.00 0.00 37.83 32.63 2wsj s LYS 54 CO 0.25 0.40 0.31 0.00 -0.76 0.00 0.00 175.35 175.55 2wsj s ALA 55 N -0.88 -0.75 -0.18 5.17 0.00 -0.64 -4.64 121.76 119.85 2wsj s ALA 55 Ca 0.43 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 52.37 2wsj s ALA 55 Cb -0.26 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2wsj s ALA 55 CO 0.33 -0.32 0.71 0.34 0.00 0.00 0.00 175.76 176.82 2wsj s ASP 56 N -1.61 6.80 -0.14 0.00 2.15 0.15 -4.43 116.67 119.59 2wsj s ASP 56 Ca -0.10 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.86 2wsj s ASP 56 Cb -0.03 -2.39 0.02 0.00 -0.30 0.00 0.00 42.92 40.22 2wsj s ASP 56 CO 0.01 -0.31 -0.12 -0.63 -0.17 0.00 0.00 175.17 173.95 2wsj s ILE 57 N 1.95 1.37 0.07 4.11 1.01 -1.26 -0.68 121.20 127.78 2wsj s ILE 57 Ca 0.33 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.49 2wsj s ILE 57 Cb -0.16 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2wsj s ILE 57 CO 0.11 0.42 -0.07 0.68 0.00 0.00 0.00 174.94 176.08 2wsj s VAL 58 N 1.57 0.65 -0.23 2.92 -7.23 -0.53 -4.96 120.40 112.59 2wsj s VAL 58 Ca 0.05 -1.56 -0.25 0.00 -1.81 0.00 0.00 61.98 58.41 2wsj s VAL 58 Cb -0.13 -1.21 -0.00 0.00 0.56 0.00 0.00 36.38 35.60 2wsj s VAL 58 CO -0.10 -0.64 0.85 -0.32 -0.31 0.00 0.00 175.10 174.58 2wsj s MET 59 N -2.81 4.20 -0.04 4.82 1.75 -1.26 -1.38 119.30 124.58 2wsj s MET 59 Ca 0.02 0.99 -0.24 0.00 -1.25 0.00 0.00 55.69 55.21 2wsj s MET 59 Cb -0.02 -3.64 -0.22 0.00 2.84 0.00 0.00 34.83 33.79 2wsj s MET 59 CO -0.02 -0.51 1.08 -0.07 -0.65 0.00 0.00 175.02 174.85 2wsj h LEU 60 N 9.10 0.21 -7.58 4.11 3.38 -1.33 -3.48 115.31 119.72 2wsj h LEU 60 Ca -0.23 -0.72 0.06 0.00 0.09 0.00 0.00 57.88 57.07 2wsj h LEU 60 Cb 1.09 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 2wsj h LEU 60 CO 0.88 0.91 0.28 0.28 0.09 0.00 0.00 178.44 180.87 2wsj s THR 61 N -3.33 0.00 -0.45 0.22 -1.32 -1.23 -5.04 115.64 104.49 2wsj s THR 61 Ca -0.16 -0.58 -0.41 0.00 -1.21 0.00 0.00 61.69 59.33 2wsj s THR 61 Cb 0.01 -1.62 -0.17 0.00 -1.51 0.00 0.00 72.50 69.21 2wsj s THR 61 CO 0.74 0.00 2.14 1.21 -2.21 0.00 0.00 174.62 176.50 2wsj n GLU 62 N -0.42 0.34 -1.01 7.08 2.13 -1.26 -0.42 120.64 127.08 2wsj n GLU 62 Ca -0.09 0.09 -0.01 0.00 0.66 0.00 0.00 57.16 57.82 2wsj n GLU 62 Cb 0.61 -1.80 -0.00 0.00 0.27 0.00 0.00 31.44 30.52 2wsj n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wsj n GLY 63 N 7.11 0.47 3.14 8.31 0.00 -1.22 -4.93 105.19 118.07 2wsj n GLY 63 Ca 0.50 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2wsj n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wsj s ILE 64 N -1.99 1.67 -0.02 -0.61 -1.09 0.44 -4.18 121.20 115.42 2wsj s ILE 64 Ca 0.00 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 2wsj s ILE 64 Cb 0.00 -1.46 -0.00 0.00 -1.58 0.00 0.00 42.46 39.42 2wsj s ILE 64 CO 0.00 0.47 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.75 2wsj s TYR 65 N 0.43 1.20 -0.09 3.97 1.51 -0.51 -0.81 117.35 123.05 2wsj s TYR 65 Ca -0.16 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 2wsj s TYR 65 Cb -0.17 -0.82 -0.00 0.00 -0.11 0.00 0.00 41.96 40.86 2wsj s TYR 65 CO 0.06 -0.09 -0.23 0.21 -1.11 0.00 0.00 175.55 174.39 2wsj s LYS 66 N -0.01 2.95 -0.09 -0.62 2.20 -0.48 0.15 119.74 123.84 2wsj s LYS 66 Ca -0.01 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.77 2wsj s LYS 66 Cb -0.08 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 2wsj s LYS 66 CO 0.01 0.24 -0.21 0.42 -0.36 0.00 0.00 175.35 175.45 2wsj s ILE 67 N 0.20 1.80 -0.09 5.43 1.09 0.49 -1.45 121.20 128.67 2wsj s ILE 67 Ca -0.14 -0.87 0.02 0.00 -1.10 0.00 0.00 60.65 58.56 2wsj s ILE 67 Cb -0.17 -1.57 0.01 0.00 -1.06 0.00 0.00 42.46 39.68 2wsj s ILE 67 CO 0.07 0.50 -0.16 -0.44 -0.10 0.00 0.00 174.94 174.82 2wsj s SER 68 N 0.38 2.32 0.09 3.58 0.01 0.15 -0.28 113.70 119.95 2wsj s SER 68 Ca -0.16 -0.41 -0.10 0.00 1.31 0.00 0.00 55.95 56.59 2wsj s SER 68 Cb -0.17 -1.06 0.01 0.00 0.21 0.00 0.00 66.02 65.01 2wsj s SER 68 CO 0.07 0.06 0.23 -1.66 0.41 0.00 0.00 173.24 172.35 2wsj s TRP 69 N 0.71 0.07 0.05 2.43 -2.14 -0.66 -0.68 118.94 118.72 2wsj s TRP 69 Ca -0.13 -0.46 0.08 0.00 2.66 0.00 0.00 56.10 58.25 2wsj s TRP 69 Cb -0.16 0.01 -0.03 0.00 -3.10 0.00 0.00 33.47 30.19 2wsj s TRP 69 CO 0.03 -0.57 -0.22 -0.08 -2.66 0.00 0.00 176.95 173.45 2wsj s THR 70 N -3.75 2.46 0.19 0.66 -1.32 -1.26 -0.93 115.64 111.70 2wsj s THR 70 Ca 0.04 -1.31 0.06 0.00 -1.21 0.00 0.00 61.69 59.27 2wsj s THR 70 Cb 0.04 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.99 2wsj s THR 70 CO -0.11 0.34 0.17 -0.55 -2.21 0.00 0.00 174.62 172.27 2wsj s SER 71 N -1.37 5.61 0.64 8.08 0.15 0.71 -4.95 113.70 122.56 2wsj s SER 71 Ca 0.13 -0.14 0.32 0.00 0.70 0.00 0.00 55.95 56.97 2wsj s SER 71 Cb -0.10 -1.48 1.77 0.00 -1.71 0.00 0.00 66.02 64.51 2wsj s SER 71 CO 0.04 0.03 2.04 -0.65 1.20 0.00 0.00 173.24 175.89 2wsj h PRO 72 N 2.04 0.00 0.00 5.44 0.11 -1.97 -0.87 132.00 136.75 2wsj h PRO 72 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wsj h PRO 72 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wsj h PRO 72 CO 0.63 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.21 2wsj h THR 73 N 0.00 0.00 0.00 -1.15 1.35 -1.94 -3.27 112.91 107.89 2wsj h THR 73 Ca 0.04 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2wsj h THR 73 Cb 0.56 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2wsj h THR 73 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2wsj n GLY 74 N 1.15 0.33 3.72 5.82 0.00 -0.33 -4.66 105.19 111.22 2wsj n GLY 74 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2wsj n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wsj s THR 75 N -2.00 4.02 -0.14 2.61 2.01 -1.26 -4.67 115.64 116.21 2wsj s THR 75 Ca 0.00 1.58 -0.05 0.00 0.31 0.00 0.00 61.69 63.53 2wsj s THR 75 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2wsj s THR 75 CO 0.00 0.19 0.04 -1.81 -0.69 0.00 0.00 174.62 172.35 2wsj s ASP 76 N 0.50 5.46 -0.05 3.53 1.01 -0.93 -0.21 116.67 125.97 2wsj s ASP 76 Ca 0.54 0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.93 2wsj s ASP 76 Cb -0.29 -1.80 0.01 0.00 1.01 0.00 0.00 42.92 41.85 2wsj s ASP 76 CO 0.32 0.26 -0.12 -0.69 0.21 0.00 0.00 175.17 175.15 2wsj s VAL 77 N -0.15 1.11 -0.22 -1.27 1.01 -0.10 -0.25 120.40 120.52 2wsj s VAL 77 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2wsj s VAL 77 Cb -0.12 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.32 2wsj s VAL 77 CO 0.02 0.34 -0.06 0.00 0.00 0.00 0.00 175.10 175.40 2wsj s ALA 78 N 0.47 1.90 -0.13 5.51 0.00 -0.66 -1.66 121.76 127.19 2wsj s ALA 78 Ca -0.10 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 2wsj s ALA 78 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2wsj s ALA 78 CO 0.03 -1.10 -0.04 -0.51 0.00 0.00 0.00 175.76 174.13 2wsj s LEU 79 N 1.43 3.25 -0.21 0.00 1.43 0.61 -1.30 118.68 123.89 2wsj s LEU 79 Ca -0.05 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2wsj s LEU 79 Cb -0.18 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.32 2wsj s LEU 79 CO -0.07 0.24 -0.16 -1.81 0.23 0.00 0.00 176.35 174.78 2wsj s ASP 80 N -0.05 3.67 -0.15 2.29 1.11 0.22 -0.38 116.67 123.39 2wsj s ASP 80 Ca 0.01 -0.96 -0.11 0.00 0.18 0.00 0.00 52.55 51.67 2wsj s ASP 80 Cb -0.13 -1.49 -0.05 0.00 1.07 0.00 0.00 42.92 42.32 2wsj s ASP 80 CO 0.03 -0.08 0.22 -0.36 1.18 0.00 0.00 175.17 176.15 2wsj s PHE 81 N 1.22 3.50 -0.59 4.23 0.40 0.12 0.13 117.98 126.99 2wsj s PHE 81 Ca -0.01 0.53 0.06 0.00 -0.60 0.00 0.00 56.93 56.92 2wsj s PHE 81 Cb -0.16 -2.20 0.24 0.00 0.51 0.00 0.00 43.02 41.42 2wsj s PHE 81 CO -0.10 0.39 0.68 -1.33 0.70 0.00 0.00 175.22 175.57 2wsj n MET 82 N 3.07 2.11 0.24 0.44 2.81 0.96 -1.43 117.12 125.33 2wsj n MET 82 Ca -0.15 -4.37 0.10 0.00 -1.81 0.00 0.00 57.70 51.47 2wsj n MET 82 Cb 0.53 -2.06 0.63 0.00 -0.71 0.00 0.00 33.22 31.61 2wsj n MET 82 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2wsj h PRO 83 N 4.25 0.00 0.00 0.03 0.13 -1.73 -1.37 132.00 133.31 2wsj h PRO 83 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2wsj h PRO 83 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2wsj h PRO 83 CO 0.75 0.17 0.00 0.09 -0.23 0.00 0.00 178.00 178.78 2wsj n ASN 84 N -3.83 0.00 -0.27 1.44 3.02 -1.26 -2.07 115.26 112.30 2wsj n ASN 84 Ca -0.02 0.40 0.04 0.00 -0.03 0.00 0.00 54.58 54.97 2wsj n ASN 84 Cb 0.27 -0.45 0.02 0.00 -0.61 0.00 0.00 39.78 39.01 2wsj n ASN 84 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wsj n GLU 85 N -1.45 0.73 -3.08 3.52 1.02 -0.54 -4.99 120.64 115.84 2wsj n GLU 85 Ca 0.04 -0.83 -0.22 0.00 -0.02 0.00 0.00 57.16 56.13 2wsj n GLU 85 Cb 0.16 -1.11 0.02 0.00 -0.02 0.00 0.00 31.44 30.49 2wsj n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wsj n LYS 86 N 0.22 -4.06 -4.26 3.49 5.02 -0.88 -4.96 118.16 112.73 2wsj n LYS 86 Ca 0.04 0.74 -0.22 0.00 -2.02 0.00 0.00 58.31 56.84 2wsj n LYS 86 Cb 0.18 -5.52 -0.12 0.00 -0.02 0.00 0.00 35.03 29.55 2wsj n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wsj s LYS 87 N -5.75 1.04 0.04 1.97 -0.14 -1.05 -0.88 119.74 114.99 2wsj s LYS 87 Ca 0.31 -1.11 -0.03 0.00 -1.36 0.00 0.00 55.97 53.78 2wsj s LYS 87 Cb -0.15 -1.24 -0.02 0.00 -1.68 0.00 0.00 37.83 34.74 2wsj s LYS 87 CO 0.38 0.29 0.03 -1.17 -0.76 0.00 0.00 175.35 174.11 2wsj s LEU 88 N -1.86 2.14 -0.05 3.17 0.20 -1.05 -0.03 118.68 121.20 2wsj s LEU 88 Ca 0.04 -0.73 0.01 0.00 0.69 0.00 0.00 54.13 54.14 2wsj s LEU 88 Cb -0.10 0.38 0.02 0.00 -0.43 0.00 0.00 46.19 46.06 2wsj s LEU 88 CO 0.04 -0.53 -0.04 -2.28 -0.29 0.00 0.00 176.35 173.25 2wsj s HIS 89 N -3.06 0.73 -0.03 5.38 5.65 0.12 -0.99 115.29 123.09 2wsj s HIS 89 Ca -0.01 -0.20 0.05 0.00 0.25 0.00 0.00 55.06 55.15 2wsj s HIS 89 Cb 0.02 -0.69 -0.01 0.00 -1.18 0.00 0.00 32.58 30.72 2wsj s HIS 89 CO -0.07 -0.22 -0.19 0.20 -0.65 0.00 0.00 174.74 173.81 2wsj s GLY 90 N 1.10 0.99 -0.20 1.59 0.00 -0.88 0.72 107.32 110.64 2wsj s GLY 90 Ca -0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 2wsj s GLY 90 CO -0.01 -0.57 -0.06 -1.59 0.00 0.00 0.00 173.10 170.87 2wsj s THR 91 N -0.25 3.36 -0.15 0.90 2.01 -0.42 -1.03 115.64 120.06 2wsj s THR 91 Ca 0.02 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 2wsj s THR 91 Cb -0.10 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2wsj s THR 91 CO 0.01 0.45 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.71 2wsj s ILE 92 N 1.15 3.78 -0.58 1.82 1.01 -0.59 -1.65 121.20 126.14 2wsj s ILE 92 Ca 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 2wsj s ILE 92 Cb -0.14 -2.65 0.15 0.00 0.01 0.00 0.00 42.46 39.83 2wsj s ILE 92 CO -0.01 0.50 0.42 -0.36 0.00 0.00 0.00 174.94 175.49 2wsj s PHE 93 N 0.38 3.49 0.07 3.97 0.40 0.66 -1.28 117.98 125.68 2wsj s PHE 93 Ca -0.05 -2.36 -0.27 0.00 -0.60 0.00 0.00 56.93 53.65 2wsj s PHE 93 Cb -0.14 -3.36 -0.06 0.00 0.51 0.00 0.00 43.02 39.97 2wsj s PHE 93 CO 0.03 -0.92 0.86 -0.06 0.70 0.00 0.00 175.22 175.83 2wsj s PHE 94 N 0.51 3.77 0.52 0.36 0.08 -0.38 -2.18 117.98 120.66 2wsj s PHE 94 Ca 0.13 1.63 -0.22 0.00 0.12 0.00 0.00 56.93 58.58 2wsj s PHE 94 Cb -0.21 -2.93 -0.06 0.00 -0.57 0.00 0.00 43.02 39.25 2wsj s PHE 94 CO -0.04 0.24 1.32 -2.14 -0.10 0.00 0.00 175.22 174.51 2wsj s PRO 95 N -0.01 3.33 0.32 0.24 0.02 -1.26 -1.52 135.00 136.12 2wsj s PRO 95 Ca 0.43 2.16 0.09 0.00 0.02 0.00 0.00 61.00 63.70 2wsj s PRO 95 Cb -0.22 -2.33 0.95 0.00 0.02 0.00 0.00 34.50 32.91 2wsj s PRO 95 CO 0.26 -1.01 1.63 -0.22 -0.33 0.00 0.00 177.00 177.32 2wsj h LYS 96 N 1.68 0.16 -0.01 5.54 1.63 -1.20 -0.66 116.57 123.71 2wsj h LYS 96 Ca -0.51 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.25 2wsj h LYS 96 Cb 1.29 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2wsj h LYS 96 CO 0.58 0.11 -0.17 0.11 -3.45 0.00 0.00 179.45 176.63 2wsj h TRP 97 N 0.17 0.01 -0.35 1.91 5.08 -1.40 -0.89 115.95 120.48 2wsj h TRP 97 Ca 0.67 -0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.48 2wsj h TRP 97 Cb 1.51 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.66 2wsj h TRP 97 CO -0.18 0.18 -0.39 0.28 -1.28 0.00 0.00 178.44 177.04 2wsj h VAL 98 N 0.01 1.28 -0.48 0.12 2.07 -1.39 0.64 116.25 118.50 2wsj h VAL 98 Ca 0.00 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 65.90 2wsj h VAL 98 Cb 0.31 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2wsj h VAL 98 CO 0.02 0.52 0.08 -0.08 0.02 0.00 0.00 177.57 178.13 2wsj h GLU 99 N 0.68 0.74 0.16 1.57 4.81 -1.26 -1.71 114.58 119.57 2wsj h GLU 99 Ca 0.06 -0.16 -0.32 0.00 -0.13 0.00 0.00 59.36 58.81 2wsj h GLU 99 Cb 0.96 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.24 2wsj h GLU 99 CO 0.09 0.70 -1.54 1.49 -0.73 0.00 0.00 179.01 179.02 2wsj h GLU 100 N 0.71 0.33 -2.13 1.92 4.57 -1.00 -3.39 114.58 115.58 2wsj h GLU 100 Ca 0.15 -0.57 -0.57 0.00 -1.18 0.00 0.00 59.36 57.20 2wsj h GLU 100 Cb 0.32 0.21 -0.41 0.00 -0.16 0.00 0.00 28.75 28.72 2wsj h GLU 100 CO 0.00 1.23 -0.84 0.72 -1.18 0.00 0.00 179.01 178.94 2wsj n HIS 101 N -3.54 2.13 -0.15 0.92 8.25 0.22 -4.98 115.22 118.08 2wsj n HIS 101 Ca -0.17 -3.91 0.00 0.00 -0.26 0.00 0.00 57.72 53.38 2wsj n HIS 101 Cb 1.06 -0.47 0.26 0.00 1.12 0.00 0.00 29.99 31.97 2wsj n HIS 101 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wsj h PRO 102 N 3.63 0.85 0.00 -0.41 0.13 -1.51 -3.02 132.00 131.67 2wsj h PRO 102 Ca 0.13 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2wsj h PRO 102 Cb 0.73 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2wsj h PRO 102 CO 0.68 0.62 0.00 -0.85 -0.23 0.00 0.00 178.00 178.22 2wsj n GLU 103 N -4.38 0.11 -0.09 0.86 0.00 -1.26 -1.26 120.64 114.61 2wsj n GLU 103 Ca 0.06 0.48 -0.06 0.00 0.00 0.00 0.00 57.16 57.64 2wsj n GLU 103 Cb 0.10 -1.78 0.12 0.00 0.00 0.00 0.00 31.44 29.88 2wsj n GLU 103 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2wsj h ILE 104 N 0.00 1.26 0.00 3.84 2.04 -1.93 -3.12 117.51 119.60 2wsj h ILE 104 Ca 0.00 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2wsj h ILE 104 Cb 0.17 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2wsj h ILE 104 CO 0.00 0.41 -0.31 0.35 0.00 0.00 0.00 178.15 178.59 2wsj n THR 105 N -4.16 0.16 -2.72 -0.27 -2.24 -0.39 -4.67 114.28 99.99 2wsj n THR 105 Ca 0.01 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 2wsj n THR 105 Cb 0.37 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2wsj n THR 105 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wsj s VAL 106 N -3.05 4.22 -0.01 2.28 1.01 -1.17 -4.62 120.40 119.05 2wsj s VAL 106 Ca 0.11 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 2wsj s VAL 106 Cb 0.16 -4.91 0.10 0.00 0.00 0.00 0.00 36.38 31.74 2wsj s VAL 106 CO 0.64 -1.73 1.28 0.28 0.00 0.00 0.00 175.10 175.57 2wsj s THR 107 N 4.19 0.00 -0.53 3.92 -1.32 -1.26 -4.82 115.64 115.82 2wsj s THR 107 Ca 0.38 -0.19 -0.28 0.00 -1.21 0.00 0.00 61.69 60.38 2wsj s THR 107 Cb -0.04 -2.77 0.02 0.00 -1.51 0.00 0.00 72.50 68.20 2wsj s THR 107 CO -0.05 0.00 1.24 -0.47 -2.21 0.00 0.00 174.62 173.14 2wsj s TYR 108 N -2.10 2.58 0.26 9.09 5.04 -1.26 -2.55 117.35 128.41 2wsj s TYR 108 Ca 0.26 0.53 -0.03 0.00 -2.44 0.00 0.00 57.07 55.39 2wsj s TYR 108 Cb 0.00 -4.46 0.42 0.00 0.35 0.00 0.00 41.96 38.27 2wsj s TYR 108 CO -0.01 -1.62 1.85 0.37 -1.34 0.00 0.00 175.55 174.79 2wsj h GLN 109 N 9.86 0.97 -0.10 4.97 4.15 -1.84 -2.99 115.11 130.14 2wsj h GLN 109 Ca -0.25 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.14 2wsj h GLN 109 Cb 1.07 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 2wsj h GLN 109 CO 1.16 0.64 0.19 -0.91 -1.93 0.00 0.00 178.83 177.98 2wsj h ASN 110 N 1.00 0.00 0.28 -0.69 4.21 -1.91 0.33 115.58 118.80 2wsj h ASN 110 Ca 0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.93 2wsj h ASN 110 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2wsj h ASN 110 CO -0.21 0.00 -0.69 -0.62 -1.29 0.00 0.00 177.43 174.62 2wsj n GLU 111 N -3.42 0.06 -2.05 0.81 1.02 -1.13 -4.45 120.64 111.47 2wsj n GLU 111 Ca -0.00 -0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.03 2wsj n GLU 111 Cb 0.29 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.26 2wsj n GLU 111 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wsj n HIS 112 N -1.43 1.42 -0.13 -0.32 8.25 0.11 -4.88 115.22 118.25 2wsj n HIS 112 Ca 0.05 -1.84 -0.05 0.00 -0.26 0.00 0.00 57.72 55.63 2wsj n HIS 112 Cb 0.34 -0.26 0.04 0.00 1.12 0.00 0.00 29.99 31.22 2wsj n HIS 112 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2wsj h ILE 113 N 4.00 0.83 -0.97 1.59 1.08 -1.69 -2.52 117.51 119.83 2wsj h ILE 113 Ca 0.04 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2wsj h ILE 113 Cb 1.42 0.54 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 2wsj h ILE 113 CO 0.34 0.05 0.62 0.44 -0.69 0.00 0.00 178.15 178.92 2wsj h ASP 114 N 0.27 1.12 -0.78 1.72 3.32 -1.91 -0.82 116.42 119.35 2wsj h ASP 114 Ca 0.20 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2wsj h ASP 114 Cb 0.21 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2wsj h ASP 114 CO -0.23 0.83 0.37 0.25 -1.72 0.00 0.00 179.24 178.74 2wsj h LEU 115 N 1.32 1.04 0.09 1.55 5.85 -1.89 -0.88 115.31 122.38 2wsj h LEU 115 Ca 0.35 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2wsj h LEU 115 Cb -0.13 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.64 2wsj h LEU 115 CO -0.07 0.88 -0.04 0.24 -0.34 0.00 0.00 178.44 179.11 2wsj h MET 116 N 1.13 -0.11 -0.75 1.25 2.86 -0.89 -1.61 114.93 116.80 2wsj h MET 116 Ca 0.27 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 2wsj h MET 116 Cb 0.13 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 2wsj h MET 116 CO -0.03 0.23 0.50 0.93 1.06 0.00 0.00 176.91 179.60 2wsj h GLU 117 N -0.48 0.92 -0.13 1.72 5.08 -1.18 -2.08 114.58 118.42 2wsj h GLU 117 Ca -0.01 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2wsj h GLU 117 Cb 0.40 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2wsj h GLU 117 CO 0.02 0.61 -0.58 1.96 -1.00 0.00 0.00 179.01 180.01 2wsj h GLN 118 N 0.94 0.43 -0.05 2.33 4.20 -1.13 -3.26 115.11 118.58 2wsj h GLN 118 Ca 0.29 -0.29 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 2wsj h GLN 118 Cb 0.01 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2wsj h GLN 118 CO -0.08 0.89 -0.83 0.77 -0.67 0.00 0.00 178.83 178.91 2wsj h SER 119 N 0.33 0.53 0.46 1.46 0.02 -0.95 -2.06 113.55 113.34 2wsj h SER 119 Ca -0.00 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 2wsj h SER 119 Cb 1.11 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 2wsj h SER 119 CO 0.10 1.16 -0.12 0.08 -1.14 0.00 0.00 176.83 176.90 2wsj h ARG 120 N 0.27 0.00 0.07 3.45 0.11 -1.44 -1.40 114.38 115.44 2wsj h ARG 120 Ca -0.05 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.69 2wsj h ARG 120 Cb 1.44 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.48 2wsj h ARG 120 CO 0.14 0.12 -1.88 0.39 0.10 0.00 0.00 179.97 178.85 2wsj n GLU 121 N -3.55 0.71 0.10 0.08 -0.58 -1.20 -4.44 120.64 111.76 2wsj n GLU 121 Ca -0.01 0.28 -0.16 0.00 -0.42 0.00 0.00 57.16 56.84 2wsj n GLU 121 Cb 0.26 -1.75 -0.11 0.00 -0.57 0.00 0.00 31.44 29.27 2wsj n GLU 121 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2wsj h LYS 122 N 0.04 0.35 0.00 3.49 3.64 -1.18 -3.47 116.57 119.43 2wsj h LYS 122 Ca -0.37 -0.51 -0.36 0.00 -1.27 0.00 0.00 60.65 58.14 2wsj h LYS 122 Cb 2.03 0.18 0.01 0.00 -0.41 0.00 0.00 32.23 34.03 2wsj h LYS 122 CO 0.09 1.21 -0.08 0.66 -2.27 0.00 0.00 179.45 179.05 2wsj n TYR 123 N -3.62 -2.09 -2.78 1.91 4.01 -0.55 -5.09 117.16 108.95 2wsj n TYR 123 Ca -0.09 -1.56 -0.39 0.00 -0.16 0.00 0.00 57.90 55.70 2wsj n TYR 123 Cb 0.97 -0.38 -0.06 0.00 -0.31 0.00 0.00 39.34 39.56 2wsj n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wsj s ALA 124 N -2.52 3.33 -0.10 -0.72 0.00 -1.26 -4.89 121.76 115.61 2wsj s ALA 124 Ca 0.39 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.95 2wsj s ALA 124 Cb -0.03 -3.18 -0.24 0.00 0.00 0.00 0.00 23.12 19.67 2wsj s ALA 124 CO 0.25 0.21 0.44 2.41 0.00 0.00 0.00 175.76 179.07 2wsj n THR 125 N 1.36 1.68 -4.34 0.00 -1.04 -1.26 -1.15 114.28 109.54 2wsj n THR 125 Ca -0.02 -0.72 -0.26 0.00 -2.04 0.00 0.00 64.05 61.01 2wsj n THR 125 Cb 0.48 -1.39 -0.13 0.00 -1.82 0.00 0.00 70.33 67.47 2wsj n THR 125 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2wsj s TYR 126 N -2.57 2.04 0.48 -1.42 2.02 -1.26 -1.23 117.35 115.41 2wsj s TYR 126 Ca -0.16 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 55.93 2wsj s TYR 126 Cb 0.07 -1.11 -0.08 0.00 -0.40 0.00 0.00 41.96 40.45 2wsj s TYR 126 CO 0.78 0.28 1.07 -1.25 -1.57 0.00 0.00 175.55 174.86 2wsj s PRO 127 N -2.02 3.78 0.37 -1.71 0.04 -1.26 -4.81 135.00 129.40 2wsj s PRO 127 Ca 0.10 1.46 -0.25 0.00 0.04 0.00 0.00 61.00 62.35 2wsj s PRO 127 Cb -0.10 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 2wsj s PRO 127 CO 0.05 -0.46 1.06 0.15 0.04 0.00 0.00 177.00 177.84 2wsj s LYS 128 N -3.07 4.29 -0.44 4.56 -0.14 -1.26 -3.48 119.74 120.19 2wsj s LYS 128 Ca 0.66 1.59 -0.18 0.00 -1.36 0.00 0.00 55.97 56.68 2wsj s LYS 128 Cb -0.19 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.27 2wsj s LYS 128 CO 0.23 -0.05 0.52 -1.17 -0.76 0.00 0.00 175.35 174.13 2wsj s LEU 129 N -2.32 4.84 -0.25 3.17 2.96 -0.57 -4.95 118.68 121.55 2wsj s LEU 129 Ca 0.54 -0.67 -0.12 0.00 -0.22 0.00 0.00 54.13 53.66 2wsj s LEU 129 Cb -0.25 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 2wsj s LEU 129 CO 0.31 -0.69 0.23 -0.69 -1.32 0.00 0.00 176.35 174.19 2wsj s VAL 130 N 2.36 5.30 -0.57 1.68 1.01 -1.26 -1.25 120.40 127.67 2wsj s VAL 130 Ca 0.15 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2wsj s VAL 130 Cb -0.17 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.79 2wsj s VAL 130 CO 0.14 0.28 0.36 -0.69 0.00 0.00 0.00 175.10 175.19 2wsj s VAL 131 N 1.47 3.34 -1.02 2.92 1.01 -0.40 -4.99 120.40 122.73 2wsj s VAL 131 Ca 0.10 -2.95 -0.23 0.00 0.00 0.00 0.00 61.98 58.90 2wsj s VAL 131 Cb -0.15 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2wsj s VAL 131 CO 0.08 -0.83 1.48 -2.16 0.00 0.00 0.00 175.10 173.67 2wsj s PRO 132 N 0.02 3.55 0.01 2.72 0.04 -1.26 -1.54 135.00 138.54 2wsj s PRO 132 Ca 0.16 -1.10 -0.02 0.00 0.04 0.00 0.00 61.00 60.08 2wsj s PRO 132 Cb -0.22 -5.35 -0.01 0.00 0.04 0.00 0.00 34.50 28.96 2wsj s PRO 132 CO -0.03 -2.27 0.02 -1.21 0.04 0.00 0.00 177.00 173.55 2wsj s GLU 133 N 5.07 0.34 0.60 4.56 2.02 -0.20 -5.00 118.70 126.10 2wsj s GLU 133 Ca 0.47 -0.52 -0.17 0.00 0.02 0.00 0.00 54.97 54.77 2wsj s GLU 133 Cb -0.00 0.13 -0.03 0.00 0.10 0.00 0.00 34.13 34.33 2wsj s GLU 133 CO -0.09 -0.07 1.12 -0.06 0.02 0.00 0.00 175.26 176.19 2wsj s PHE 134 N -1.37 2.63 0.13 1.61 0.08 -1.26 -2.08 117.98 117.72 2wsj s PHE 134 Ca -0.15 1.55 0.06 0.00 0.12 0.00 0.00 56.93 58.51 2wsj s PHE 134 Cb -0.09 -3.24 -0.04 0.00 -0.57 0.00 0.00 43.02 39.08 2wsj s PHE 134 CO -0.00 -1.66 -0.14 0.00 -0.10 0.00 0.00 175.22 173.31 2wsj s ALA 135 N -2.03 1.56 -0.20 5.36 0.00 -0.16 -0.55 121.76 125.75 2wsj s ALA 135 Ca 0.70 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 2wsj s ALA 135 Cb -0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2wsj s ALA 135 CO 0.34 0.10 0.07 -0.80 0.00 0.00 0.00 175.76 175.46 2wsj s ASN 136 N -2.58 5.51 -0.26 0.00 0.01 -0.52 -2.52 114.94 114.59 2wsj s ASN 136 Ca 0.11 0.01 -0.24 0.00 -0.71 0.00 0.00 52.86 52.03 2wsj s ASN 136 Cb -0.04 -1.96 -0.00 0.00 0.41 0.00 0.00 41.25 39.66 2wsj s ASN 136 CO 0.03 0.12 0.81 -0.63 -1.51 0.00 0.00 177.10 175.93 2wsj s ILE 137 N 0.68 4.83 -1.36 0.60 1.01 -0.06 -1.67 121.20 125.23 2wsj s ILE 137 Ca 0.03 1.46 0.16 0.00 0.00 0.00 0.00 60.65 62.30 2wsj s ILE 137 Cb -0.13 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 2wsj s ILE 137 CO 0.02 -0.11 0.83 0.35 0.00 0.00 0.00 174.94 176.02 2wsj n THR 138 N 5.33 0.00 -3.70 2.92 -2.24 -0.18 -4.92 114.28 111.49 2wsj n THR 138 Ca 0.05 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2wsj n THR 138 Cb 0.48 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 2wsj n THR 138 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wsj s TYR 139 N -2.02 -0.61 -0.18 4.78 5.04 -1.07 -4.96 117.35 118.32 2wsj s TYR 139 Ca 0.12 1.36 -0.03 0.00 -2.44 0.00 0.00 57.07 56.08 2wsj s TYR 139 Cb 0.13 0.26 0.06 0.00 0.35 0.00 0.00 41.96 42.76 2wsj s TYR 139 CO 0.45 -0.31 0.04 -1.64 -1.34 0.00 0.00 175.55 172.75 2wsj s MET 140 N 0.86 0.58 -0.08 4.97 -1.94 -1.26 -2.51 119.30 119.92 2wsj s MET 140 Ca -0.05 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 2wsj s MET 140 Cb -0.06 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 2wsj s MET 140 CO -0.07 -0.62 -0.06 0.20 -0.01 0.00 0.00 175.02 174.46 2wsj s GLY 141 N 1.90 1.71 -1.25 -0.03 0.00 0.21 -4.94 107.32 104.91 2wsj s GLY 141 Ca -0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 44.72 43.70 2wsj s GLY 141 CO -0.08 -0.60 1.57 1.34 0.00 0.00 0.00 173.10 175.33 2wsj n ASP 142 N 2.34 5.10 0.15 1.64 -0.08 -1.26 -1.20 116.55 123.24 2wsj n ASP 142 Ca -0.18 -2.97 0.13 0.00 -1.51 0.00 0.00 54.79 50.26 2wsj n ASP 142 Cb 0.53 -1.62 0.28 0.00 2.34 0.00 0.00 41.12 42.65 2wsj n ASP 142 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wsj h ALA 143 N 7.15 0.97 -0.83 -1.67 0.00 -1.68 -3.48 119.26 119.72 2wsj h ALA 143 Ca 0.37 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.32 2wsj h ALA 143 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2wsj h ALA 143 CO 1.34 0.00 -0.26 0.41 0.00 0.00 0.00 179.25 180.75 2wsj n GLY 144 N 1.22 -2.94 3.78 0.00 0.00 -1.04 -4.74 105.19 101.46 2wsj n GLY 144 Ca 0.05 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 2wsj n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wsj s GLN 145 N -3.81 2.96 -1.46 1.61 -0.21 -1.26 -4.13 119.66 113.35 2wsj s GLN 145 Ca 0.00 1.40 -0.10 0.00 0.02 0.00 0.00 55.36 56.68 2wsj s GLN 145 Cb 0.00 -1.97 0.06 0.00 1.00 0.00 0.00 33.01 32.10 2wsj s GLN 145 CO 0.00 -1.13 0.96 0.09 -2.12 0.00 0.00 175.29 173.09 2wsj n ASN 146 N -2.18 -4.29 -4.39 5.90 3.02 -0.09 -4.97 115.26 108.26 2wsj n ASN 146 Ca 0.10 -0.75 -0.44 0.00 -0.03 0.00 0.00 54.58 53.46 2wsj n ASN 146 Cb 0.52 -4.08 -0.07 0.00 -0.61 0.00 0.00 39.78 35.53 2wsj n ASN 146 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2wsj s ASN 147 N -3.53 6.16 0.05 6.41 3.84 -1.26 -4.93 114.94 121.69 2wsj s ASN 147 Ca 0.52 -1.29 0.22 0.00 0.21 0.00 0.00 52.86 52.52 2wsj s ASN 147 Cb -0.26 -2.21 0.91 0.00 -0.55 0.00 0.00 41.25 39.14 2wsj s ASN 147 CO 0.81 -0.71 1.69 -0.62 -2.79 0.00 0.00 177.10 175.49 2wsj n GLU 148 N 5.39 0.05 0.08 0.43 -0.58 -1.26 -3.08 120.64 121.68 2wsj n GLU 148 Ca -0.11 0.18 -0.07 0.00 -0.42 0.00 0.00 57.16 56.73 2wsj n GLU 148 Cb 0.44 -1.58 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 2wsj n GLU 148 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2wsj h ASP 149 N 0.00 0.08 -0.20 1.62 5.19 -1.91 -3.38 116.42 117.81 2wsj h ASP 149 Ca 0.00 -0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.37 2wsj h ASP 149 Cb 0.40 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 2wsj h ASP 149 CO 0.00 0.96 -0.41 0.58 -3.12 0.00 0.00 179.24 177.24 2wsj h VAL 150 N 0.02 0.00 -3.33 -1.35 2.07 -1.83 -3.23 116.25 108.61 2wsj h VAL 150 Ca -0.03 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.83 2wsj h VAL 150 Cb 1.61 0.00 -0.38 0.00 -1.52 0.00 0.00 31.29 31.00 2wsj h VAL 150 CO 0.13 0.00 -0.40 -0.63 0.02 0.00 0.00 177.57 176.69 2wsj s ILE 151 N -5.00 3.44 -0.03 4.57 -1.09 -1.26 -4.87 121.20 116.97 2wsj s ILE 151 Ca -0.11 -3.64 0.04 0.00 -2.23 0.00 0.00 60.65 54.71 2wsj s ILE 151 Cb 0.06 -3.23 0.06 0.00 -1.58 0.00 0.00 42.46 37.77 2wsj s ILE 151 CO 0.46 -0.95 0.89 -1.54 -1.23 0.00 0.00 174.94 172.56 2wsj n SER 152 N 2.68 0.98 -3.64 3.58 3.41 -1.22 -4.89 113.62 114.52 2wsj n SER 152 Ca 0.14 -1.95 -0.10 0.00 -0.26 0.00 0.00 58.87 56.70 2wsj n SER 152 Cb 0.36 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 2wsj n SER 152 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2wsj s GLU 153 N -0.86 1.20 0.50 4.33 -1.05 -1.26 -5.10 118.70 116.46 2wsj s GLU 153 Ca 0.07 -0.73 -0.23 0.00 -0.15 0.00 0.00 54.97 53.93 2wsj s GLU 153 Cb 0.06 0.50 -0.06 0.00 -0.44 0.00 0.00 34.13 34.19 2wsj s GLU 153 CO 0.01 -0.49 1.36 0.00 0.95 0.00 0.00 175.26 177.08 2wsj s ALA 154 N -3.82 3.00 0.52 -0.84 0.00 -1.26 -4.99 121.76 114.37 2wsj s ALA 154 Ca 0.05 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.12 2wsj s ALA 154 Cb 0.01 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 2wsj s ALA 154 CO -0.09 -1.21 1.22 -1.25 0.00 0.00 0.00 175.76 174.44 2wsj s PRO 155 N -2.69 3.40 0.28 0.00 0.04 -1.26 -5.06 135.00 129.71 2wsj s PRO 155 Ca 0.66 1.90 0.07 0.00 0.04 0.00 0.00 61.00 63.67 2wsj s PRO 155 Cb -0.40 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 2wsj s PRO 155 CO 0.49 -0.88 -0.06 1.52 0.04 0.00 0.00 177.00 178.11 2wsj s TYR 156 N -1.50 1.97 0.17 0.56 -0.85 -1.26 -5.00 117.35 111.44 2wsj s TYR 156 Ca 0.69 -0.69 -0.23 0.00 -0.52 0.00 0.00 57.07 56.32 2wsj s TYR 156 Cb -0.32 -1.13 0.06 0.00 0.38 0.00 0.00 41.96 40.96 2wsj s TYR 156 CO 0.37 0.29 1.59 -0.22 -1.52 0.00 0.00 175.55 176.07 2wsj h LYS 157 N 2.26 -0.24 -0.21 -3.49 3.64 -1.98 -1.82 116.57 114.73 2wsj h LYS 157 Ca -0.40 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2wsj h LYS 157 Cb 1.23 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2wsj h LYS 157 CO 0.67 -0.16 0.00 0.39 -2.27 0.00 0.00 179.45 178.09 2wsj n GLU 158 N -5.42 1.49 0.10 1.90 -0.58 -1.26 -4.47 120.64 112.41 2wsj n GLU 158 Ca 0.01 -0.76 -0.13 0.00 -0.42 0.00 0.00 57.16 55.86 2wsj n GLU 158 Cb 0.34 -1.17 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 2wsj n GLU 158 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2wsj h MET 159 N 1.25 -0.21 -0.91 3.49 1.85 -1.74 0.04 114.93 118.70 2wsj h MET 159 Ca 0.00 0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.15 2wsj h MET 159 Cb 0.29 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.31 2wsj h MET 159 CO 0.00 -0.14 0.58 -1.35 -0.40 0.00 0.00 176.91 175.60 2wsj h PRO 160 N -0.22 1.07 -0.05 0.39 0.11 -1.80 -0.98 132.00 130.51 2wsj h PRO 160 Ca -0.00 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.06 2wsj h PRO 160 Cb 0.20 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 2wsj h PRO 160 CO -0.01 0.71 -0.06 -0.91 -0.21 0.00 0.00 178.00 177.51 2wsj h ASN 161 N 1.10 -0.20 -0.95 -2.05 2.35 -1.78 0.60 115.58 114.65 2wsj h ASN 161 Ca 0.38 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 56.27 2wsj h ASN 161 Cb 0.07 0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.46 2wsj h ASN 161 CO -0.14 -0.09 0.61 0.44 -1.65 0.00 0.00 177.43 176.60 2wsj h ASP 162 N -0.09 0.87 -0.01 5.81 3.32 -0.60 0.42 116.42 126.15 2wsj h ASP 162 Ca 0.05 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wsj h ASP 162 Cb 0.15 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2wsj h ASP 162 CO -0.11 0.49 -0.01 0.40 -1.72 0.00 0.00 179.24 178.30 2wsj h ILE 163 N 0.95 1.41 -0.87 0.35 2.04 -0.85 -0.00 117.51 120.54 2wsj h ILE 163 Ca 0.45 -1.22 0.10 0.00 1.00 0.00 0.00 64.86 65.20 2wsj h ILE 163 Cb 0.44 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 2wsj h ILE 163 CO -0.22 0.32 0.56 0.03 0.00 0.00 0.00 178.15 178.84 2wsj h ARG 164 N -0.50 0.81 -0.08 2.37 3.08 -0.50 -2.65 114.38 116.92 2wsj h ARG 164 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2wsj h ARG 164 Cb 0.52 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2wsj h ARG 164 CO 0.00 0.53 0.00 0.09 -1.07 0.00 0.00 179.97 179.53 2wsj n ASN 165 N -4.53 0.96 -2.47 7.04 3.02 0.14 -4.92 115.26 114.51 2wsj n ASN 165 Ca 0.15 -1.54 -0.16 0.00 -0.03 0.00 0.00 54.58 53.01 2wsj n ASN 165 Cb 0.32 -0.05 0.05 0.00 -0.61 0.00 0.00 39.78 39.49 2wsj n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wsj n GLY 166 N 1.01 -0.03 0.05 7.41 0.00 -1.00 -4.94 105.19 107.69 2wsj n GLY 166 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.13 2wsj n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wsj n LYS 167 N -3.38 1.98 -0.07 1.61 5.02 -0.03 -4.79 118.16 118.50 2wsj n LYS 167 Ca -0.00 -1.67 -0.11 0.00 -2.02 0.00 0.00 58.31 54.51 2wsj n LYS 167 Cb 0.54 -1.06 -0.06 0.00 -0.02 0.00 0.00 35.03 34.44 2wsj n LYS 167 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2wsj n TYR 168 N -0.68 0.00 -4.19 2.13 9.36 -1.15 -4.90 117.16 117.73 2wsj n TYR 168 Ca 0.05 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.04 2wsj n TYR 168 Cb 0.42 -0.51 -0.06 0.00 -0.63 0.00 0.00 39.34 38.56 2wsj n TYR 168 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2wsj s PHE 169 N -2.26 2.93 0.32 2.98 0.08 -1.26 -4.51 117.98 116.26 2wsj s PHE 169 Ca -0.19 -0.15 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 2wsj s PHE 169 Cb 0.06 -1.33 0.07 0.00 -0.57 0.00 0.00 43.02 41.24 2wsj s PHE 169 CO 0.29 0.56 0.43 -0.40 -0.10 0.00 0.00 175.22 176.00 2wsj n ASP 170 N -0.93 0.45 0.30 1.36 5.68 0.53 -4.91 116.55 119.02 2wsj n ASP 170 Ca -0.07 -1.41 0.18 0.00 -0.50 0.00 0.00 54.79 52.98 2wsj n ASP 170 Cb 0.58 -0.29 0.92 0.00 -1.14 0.00 0.00 41.12 41.19 2wsj n ASP 170 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2wsj h GLN 171 N 0.00 0.00 -0.62 0.11 4.15 -2.00 -1.34 115.11 115.40 2wsj h GLN 171 Ca -0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2wsj h GLN 171 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2wsj h GLN 171 CO 0.14 0.04 0.00 0.09 -1.93 0.00 0.00 178.83 177.17 2wsj n ASN 172 N -3.34 4.64 -2.98 -0.69 3.02 -1.26 -4.97 115.26 109.69 2wsj n ASN 172 Ca -0.02 -2.44 -0.20 0.00 -0.03 0.00 0.00 54.58 51.89 2wsj n ASN 172 Cb 0.17 -0.56 0.06 0.00 -0.61 0.00 0.00 39.78 38.84 2wsj n ASN 172 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wsj n TYR 173 N 1.05 -2.23 -4.35 3.10 4.19 -0.51 -5.04 117.16 113.37 2wsj n TYR 173 Ca 0.25 0.74 -0.31 0.00 3.31 0.00 0.00 57.90 61.90 2wsj n TYR 173 Cb 0.87 -4.32 -0.10 0.00 0.49 0.00 0.00 39.34 36.27 2wsj n TYR 173 CO 0.00 0.00 0.00 -1.01 0.91 0.00 0.00 176.86 176.76 2wsj s HIS 174 N -3.22 2.76 0.19 2.98 3.76 -1.26 -4.74 115.29 115.75 2wsj s HIS 174 Ca 0.43 -0.14 -0.12 0.00 -0.15 0.00 0.00 55.06 55.08 2wsj s HIS 174 Cb -0.19 -1.49 0.14 0.00 1.11 0.00 0.00 32.58 32.15 2wsj s HIS 174 CO 0.53 0.39 1.82 0.00 -0.85 0.00 0.00 174.74 176.62 2wsj h ARG 175 N 3.98 0.64 0.00 1.40 3.08 -1.86 0.15 114.38 121.77 2wsj h ARG 175 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2wsj h ARG 175 Cb 1.16 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2wsj h ARG 175 CO 0.52 0.42 0.00 -0.11 -1.07 0.00 0.00 179.97 179.73