#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 2.69 -0.16 -2.82 -2.85 -1.26 -5.10 119.74 110.24 2wsj s LYS 3 Ca 0.00 -0.61 -0.26 0.00 -1.00 0.00 0.00 55.97 54.10 2wsj s LYS 3 Cb 0.00 -2.58 -0.01 0.00 -2.06 0.00 0.00 37.83 33.18 2wsj s LYS 3 CO 0.00 0.64 0.87 0.99 0.10 0.00 0.00 175.35 177.95 2wsj s THR 4 N -0.92 4.86 -0.22 3.79 2.01 -1.26 -4.88 115.64 119.02 2wsj s THR 4 Ca 0.15 1.71 -0.23 0.00 0.31 0.00 0.00 61.69 63.63 2wsj s THR 4 Cb -0.11 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2wsj s THR 4 CO 0.05 0.01 0.74 -0.36 -0.69 0.00 0.00 174.62 174.37 2wsj s PHE 5 N 2.17 3.34 0.00 4.92 0.40 -1.26 -4.90 117.98 122.65 2wsj s PHE 5 Ca 0.40 1.03 0.00 0.00 -0.60 0.00 0.00 56.93 57.76 2wsj s PHE 5 Cb -0.17 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.42 2wsj s PHE 5 CO 0.13 -0.31 0.00 1.63 0.70 0.00 0.00 175.22 177.37 2wsj n LYS 6 N 5.60 1.22 -4.52 0.44 5.02 -1.26 -3.80 118.16 120.86 2wsj n LYS 6 Ca 0.02 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.04 2wsj n LYS 6 Cb 0.49 -0.77 -0.10 0.00 -0.02 0.00 0.00 35.03 34.62 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 -1.54 2.06 0.26 -0.18 -4.23 -1.26 -3.81 115.64 106.94 2wsj s THR 7 Ca 0.00 -1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 2wsj s THR 7 Cb 0.00 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 71.03 2wsj s THR 7 CO 0.00 -0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.17 2wsj h LEU 8 N 1.70 0.98 -1.55 4.79 5.85 -1.98 -2.93 115.31 122.17 2wsj h LEU 8 Ca -0.44 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2wsj h LEU 8 Cb 1.24 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2wsj h LEU 8 CO 0.79 0.84 0.14 -0.78 -0.34 0.00 0.00 178.44 179.09 2wsj h ASP 9 N 1.06 0.39 -0.37 1.25 3.58 -1.96 -1.70 116.42 118.68 2wsj h ASP 9 Ca 0.25 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 2wsj h ASP 9 Cb 0.14 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2wsj h ASP 9 CO -0.03 0.35 0.14 0.44 -2.88 0.00 0.00 179.24 177.26 2wsj h ASP 10 N 0.45 0.57 0.05 2.28 3.32 -1.92 -3.30 116.42 117.87 2wsj h ASP 10 Ca 0.11 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2wsj h ASP 10 Cb 0.07 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2wsj h ASP 10 CO -0.01 0.54 -0.45 0.15 -1.72 0.00 0.00 179.24 177.75 2wsj h PHE 11 N 0.61 0.18 -3.33 4.55 3.57 -1.38 -3.45 116.94 117.70 2wsj h PHE 11 Ca 0.15 -0.13 -0.57 0.00 3.53 0.00 0.00 57.97 60.95 2wsj h PHE 11 Cb 0.18 -0.01 0.12 0.00 2.79 0.00 0.00 35.95 39.03 2wsj h PHE 11 CO 0.01 1.17 0.46 1.28 -2.23 0.00 0.00 178.31 179.00 2wsj n LEU 12 N -4.41 3.55 0.00 0.59 4.77 -0.70 -2.00 117.00 118.80 2wsj n LEU 12 Ca -0.14 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 2wsj n LEU 12 Cb 0.62 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 2wsj n LEU 12 CO 0.37 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 2wsj n GLY 13 N 0.83 0.92 3.79 -0.72 0.00 0.70 -4.78 105.19 105.93 2wsj n GLY 13 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.67 4.45 -0.21 2.61 2.01 -0.85 -0.91 115.64 119.08 2wsj s THR 14 Ca 0.00 1.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.57 2wsj s THR 14 Cb 0.00 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.45 2wsj s THR 14 CO 0.00 0.51 -0.13 -2.28 -0.69 0.00 0.00 174.62 172.03 2wsj s HIS 15 N -1.17 2.91 0.02 4.92 2.46 0.78 -2.48 115.29 122.74 2wsj s HIS 15 Ca 0.35 -1.47 0.05 0.00 0.47 0.00 0.00 55.06 54.45 2wsj s HIS 15 Cb -0.22 -2.00 -0.03 0.00 -0.13 0.00 0.00 32.58 30.20 2wsj s HIS 15 CO 0.24 -0.73 -0.10 -0.06 -2.47 0.00 0.00 174.74 171.62 2wsj s PHE 16 N 1.34 2.78 -0.03 3.88 0.40 0.19 -1.15 117.98 125.38 2wsj s PHE 16 Ca 0.04 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.31 2wsj s PHE 16 Cb -0.14 -1.55 -0.01 0.00 0.51 0.00 0.00 43.02 41.83 2wsj s PHE 16 CO -0.08 0.34 -0.21 0.42 0.70 0.00 0.00 175.22 176.39 2wsj s ILE 17 N -1.00 1.71 0.01 0.64 1.01 -0.68 -1.69 121.20 121.21 2wsj s ILE 17 Ca 0.17 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 2wsj s ILE 17 Cb -0.11 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 40.96 2wsj s ILE 17 CO 0.08 0.48 0.42 -0.72 0.00 0.00 0.00 174.94 175.20 2wsj s TYR 18 N -0.29 -0.29 -0.20 3.97 -0.85 -0.43 -1.10 117.35 118.16 2wsj s TYR 18 Ca 0.03 0.35 -0.02 0.00 -0.52 0.00 0.00 57.07 56.91 2wsj s TYR 18 Cb -0.10 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.44 2wsj s TYR 18 CO 0.01 -0.52 -0.11 0.99 -1.52 0.00 0.00 175.55 174.40 2wsj s THR 19 N -1.97 2.85 0.76 -3.49 2.01 -0.72 -0.50 115.64 114.58 2wsj s THR 19 Ca -0.08 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 2wsj s THR 19 Cb -0.02 -2.27 0.05 0.00 0.01 0.00 0.00 72.50 70.28 2wsj s THR 19 CO 0.01 0.47 1.11 -0.31 -0.69 0.00 0.00 174.62 175.22 2wsj s TYR 20 N 1.39 2.41 -0.99 4.92 2.02 0.13 -1.82 117.35 125.41 2wsj s TYR 20 Ca 0.05 1.59 0.06 0.00 -0.37 0.00 0.00 57.07 58.41 2wsj s TYR 20 Cb -0.14 -3.16 0.27 0.00 -0.40 0.00 0.00 41.96 38.54 2wsj s TYR 20 CO -0.07 -1.98 1.20 -0.25 -1.57 0.00 0.00 175.55 172.88 2wsj n ASP 21 N -3.26 0.01 -1.25 2.29 8.00 -0.23 -1.50 116.55 120.61 2wsj n ASP 21 Ca 0.10 0.50 0.10 0.00 0.71 0.00 0.00 54.79 56.20 2wsj n ASP 21 Cb 0.52 -0.51 0.29 0.00 -0.02 0.00 0.00 41.12 41.41 2wsj n ASP 21 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2wsj n ASN 22 N -1.52 3.65 0.00 -2.24 0.23 -1.26 -4.93 115.26 109.20 2wsj n ASN 22 Ca 0.01 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 2wsj n ASN 22 Cb 0.07 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 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 1.40 1.57 3.69 4.83 0.00 -0.56 -5.04 105.19 111.09 2wsj n GLY 23 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.35 3.39 -0.24 1.61 0.52 -1.25 -4.78 118.94 115.85 2wsj s TRP 24 Ca 0.00 1.41 -0.08 0.00 0.02 0.00 0.00 56.10 57.45 2wsj s TRP 24 Cb 0.00 -3.31 -0.04 0.00 -1.15 0.00 0.00 33.47 28.98 2wsj s TRP 24 CO 0.00 -0.79 0.10 -2.00 0.02 0.00 0.00 176.95 174.28 2wsj s GLU 25 N 1.85 3.82 0.28 4.98 2.12 -1.22 0.21 118.70 130.74 2wsj s GLU 25 Ca 0.53 -0.40 0.10 0.00 0.36 0.00 0.00 54.97 55.57 2wsj s GLU 25 Cb -0.23 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2wsj s GLU 25 CO 0.22 -0.05 -0.16 0.71 -0.54 0.00 0.00 175.26 175.45 2wsj s TYR 26 N 1.27 2.21 -0.01 5.30 1.51 0.34 -1.32 117.35 126.66 2wsj s TYR 26 Ca 0.05 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2wsj s TYR 26 Cb -0.14 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 2wsj s TYR 26 CO 0.04 0.61 -0.00 -2.00 -1.11 0.00 0.00 175.55 173.09 2wsj s GLU 27 N -3.57 0.11 -0.10 -0.62 2.12 -0.38 -1.32 118.70 114.94 2wsj s GLU 27 Ca 0.29 0.01 -0.17 0.00 0.36 0.00 0.00 54.97 55.47 2wsj s GLU 27 Cb -0.02 -0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.23 2wsj s GLU 27 CO 0.14 -0.03 0.42 -0.46 -0.54 0.00 0.00 175.26 174.79 2wsj s TRP 28 N 0.31 -0.40 -0.03 5.30 -0.00 -0.68 -1.06 118.94 122.36 2wsj s TRP 28 Ca -0.03 0.88 0.00 0.00 -0.00 0.00 0.00 56.10 56.95 2wsj s TRP 28 Cb -0.05 0.17 0.03 0.00 -0.00 0.00 0.00 33.47 33.62 2wsj s TRP 28 CO -0.01 -0.32 -0.00 -0.47 -0.00 0.00 0.00 176.95 176.15 2wsj s TYR 29 N -0.40 0.38 -1.25 5.86 5.04 0.61 -0.64 117.35 126.95 2wsj s TYR 29 Ca -0.05 -0.03 -0.14 0.00 -2.44 0.00 0.00 57.07 54.41 2wsj s TYR 29 Cb -0.03 -0.47 0.14 0.00 0.35 0.00 0.00 41.96 41.95 2wsj s TYR 29 CO 0.03 -0.15 1.58 0.00 -1.34 0.00 0.00 175.55 175.66 2wsj n ALA 30 N 4.25 3.99 -0.26 3.97 0.00 -1.03 -1.57 120.51 129.86 2wsj n ALA 30 Ca -0.24 -4.14 0.04 0.00 0.00 0.00 0.00 53.44 49.10 2wsj n ALA 30 Cb 0.50 -3.20 0.17 0.00 0.00 0.00 0.00 19.45 16.93 2wsj n ALA 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wsj h LYS 31 N 7.07 0.50 0.00 0.00 3.64 -1.78 0.20 116.57 126.20 2wsj h LYS 31 Ca 0.37 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2wsj h LYS 31 Cb 0.84 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2wsj h LYS 31 CO 1.35 0.33 0.00 0.27 -2.27 0.00 0.00 179.45 179.13 2wsj n ASN 32 N -4.94 0.00 0.00 4.20 0.23 -1.18 0.08 115.26 113.65 2wsj n ASN 32 Ca 0.13 -0.95 0.11 0.00 -0.53 0.00 0.00 54.58 53.35 2wsj n ASN 32 Cb 0.37 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.71 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 -0.82 0.00 -0.15 0.53 3.85 -1.26 -3.00 116.55 115.69 2wsj n ASP 33 Ca 0.00 -0.97 0.00 0.00 -0.71 0.00 0.00 54.79 53.11 2wsj n ASP 33 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 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 -0.91 0.00 -3.87 2.11 1.44 -1.26 -4.14 115.22 108.59 2wsj n HIS 34 Ca 0.16 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.73 2wsj n HIS 34 Cb 0.07 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 0.00 0.04 0.06 0.61 2.01 -1.16 -1.27 115.64 115.93 2wsj s THR 35 Ca 0.00 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.12 2wsj s THR 35 Cb 0.00 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 2wsj s THR 35 CO 0.00 0.06 -0.15 0.68 -0.69 0.00 0.00 174.62 174.52 2wsj s VAL 36 N 0.51 1.17 0.13 3.82 -7.23 0.63 -2.27 120.40 117.16 2wsj s VAL 36 Ca -0.04 -1.23 0.11 0.00 -1.81 0.00 0.00 61.98 59.01 2wsj s VAL 36 Cb -0.07 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2wsj s VAL 36 CO -0.01 -0.13 -0.26 -1.81 -0.31 0.00 0.00 175.10 172.58 2wsj s ASP 37 N -1.55 3.38 0.20 4.85 1.01 -0.61 -1.72 116.67 122.23 2wsj s ASP 37 Ca 0.00 -0.72 -0.18 0.00 0.71 0.00 0.00 52.55 52.36 2wsj s ASP 37 Cb -0.09 -0.26 0.03 0.00 1.01 0.00 0.00 42.92 43.61 2wsj s ASP 37 CO 0.02 0.18 0.54 -0.72 0.21 0.00 0.00 175.17 175.40 2wsj s TYR 38 N -1.06 -0.15 -0.26 4.23 1.13 -0.26 -0.29 117.35 120.69 2wsj s TYR 38 Ca 0.14 -0.19 -0.10 0.00 -1.41 0.00 0.00 57.07 55.52 2wsj s TYR 38 Cb -0.10 0.42 0.10 0.00 -1.10 0.00 0.00 41.96 41.28 2wsj s TYR 38 CO 0.06 -0.93 0.57 0.50 -2.51 0.00 0.00 175.55 173.25 2wsj s ARG 39 N -3.87 0.52 -0.19 -3.49 3.52 -0.23 -0.63 118.95 114.59 2wsj s ARG 39 Ca 0.09 1.24 -0.06 0.00 -0.13 0.00 0.00 55.73 56.86 2wsj s ARG 39 Cb -0.01 0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 33.84 2wsj s ARG 39 CO -0.03 -0.20 0.04 0.42 -0.81 0.00 0.00 175.30 174.72 2wsj s ILE 40 N 2.42 4.42 -0.21 4.11 1.01 0.10 -1.25 121.20 131.80 2wsj s ILE 40 Ca -0.06 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.51 2wsj s ILE 40 Cb -0.10 -3.00 -0.18 0.00 0.01 0.00 0.00 42.46 39.19 2wsj s ILE 40 CO -0.17 0.44 -0.09 1.41 0.00 0.00 0.00 174.94 176.53 2wsj n HIS 41 N 3.87 0.00 -4.01 3.97 8.25 -0.44 -0.53 115.22 126.33 2wsj n HIS 41 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.21 2wsj n HIS 41 Cb 0.52 -0.88 -0.11 0.00 1.12 0.00 0.00 29.99 30.64 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 -5.77 0.31 0.00 -1.41 0.00 -0.95 -4.57 107.32 94.93 2wsj s GLY 42 Ca -0.21 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2wsj s GLY 42 CO 0.62 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 173.44 2wsj n GLY 43 N 1.02 -1.17 0.27 0.20 0.00 -1.26 -3.42 105.19 100.82 2wsj n GLY 43 Ca -0.20 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 43.75 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 1.85 0.35 -0.32 1.61 1.85 -2.00 -2.72 114.93 115.55 2wsj h MET 44 Ca 0.00 -0.02 -0.16 0.00 -0.61 0.00 0.00 59.70 58.91 2wsj h MET 44 Cb 0.00 -0.08 -0.10 0.00 0.43 0.00 0.00 31.60 31.85 2wsj h MET 44 CO 0.00 0.23 -0.11 1.33 -0.40 0.00 0.00 176.91 177.96 2wsj n VAL 45 N -5.07 2.52 -1.71 -5.77 0.24 -1.26 -4.72 118.33 102.56 2wsj n VAL 45 Ca 0.14 -2.77 -0.43 0.00 -2.04 0.00 0.00 64.34 59.24 2wsj n VAL 45 Cb 0.43 -0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 32.48 2wsj n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wsj n ALA 46 N -1.11 1.65 0.00 2.33 0.00 -1.03 -2.47 120.51 119.88 2wsj n ALA 46 Ca 0.32 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2wsj n ALA 46 Cb 1.01 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2wsj n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsj n GLY 47 N 1.32 3.23 3.76 0.00 0.00 0.31 -4.93 105.19 108.88 2wsj n GLY 47 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.76 4.62 0.02 1.61 3.52 -1.03 -4.26 118.95 122.67 2wsj s ARG 48 Ca 0.00 1.79 -0.11 0.00 -0.13 0.00 0.00 55.73 57.28 2wsj s ARG 48 Cb 0.00 -3.16 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2wsj s ARG 48 CO 0.00 0.20 0.23 1.67 -0.81 0.00 0.00 175.30 176.59 2wsj s TRP 49 N -1.19 -0.04 -0.08 5.12 1.48 -0.98 -0.72 118.94 122.54 2wsj s TRP 49 Ca 0.45 -0.06 -0.03 0.00 -1.06 0.00 0.00 56.10 55.40 2wsj s TRP 49 Cb -0.32 0.02 0.04 0.00 -1.16 0.00 0.00 33.47 32.06 2wsj s TRP 49 CO 0.40 -0.40 0.16 0.08 -4.06 0.00 0.00 176.95 173.14 2wsj s VAL 50 N -1.95 -0.15 0.14 -0.66 1.01 0.20 -2.42 120.40 116.57 2wsj s VAL 50 Ca -0.10 0.26 0.09 0.00 0.00 0.00 0.00 61.98 62.23 2wsj s VAL 50 Cb -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2wsj s VAL 50 CO -0.00 0.11 -0.14 0.42 0.00 0.00 0.00 175.10 175.48 2wsj s THR 51 N 1.70 3.02 -1.08 3.92 -4.23 -1.26 -1.11 115.64 116.60 2wsj s THR 51 Ca -0.04 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 2wsj s THR 51 Cb -0.12 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2wsj s THR 51 CO -0.06 0.01 0.36 0.47 -0.54 0.00 0.00 174.62 174.86 2wsj n ASP 52 N 0.47 -4.61 -4.68 3.99 8.00 -1.21 -4.88 116.55 113.64 2wsj n ASP 52 Ca -0.13 -0.17 -0.42 0.00 0.71 0.00 0.00 54.79 54.78 2wsj n ASP 52 Cb 0.54 -3.52 -0.03 0.00 -0.02 0.00 0.00 41.12 38.09 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 -5.23 4.39 0.21 -1.24 2.00 -0.70 -4.88 119.66 114.20 2wsj s GLN 53 Ca 0.18 1.30 -0.30 0.00 -2.00 0.00 0.00 55.36 54.54 2wsj s GLN 53 Cb -0.08 -3.55 -0.08 0.00 0.80 0.00 0.00 33.01 30.10 2wsj s GLN 53 CO 0.22 -0.33 1.10 0.15 -0.50 0.00 0.00 175.29 175.92 2wsj s LYS 54 N 2.10 4.61 -0.10 1.67 -0.14 -1.26 -0.27 119.74 126.35 2wsj s LYS 54 Ca 0.46 1.74 -0.15 0.00 -1.36 0.00 0.00 55.97 56.65 2wsj s LYS 54 Cb -0.18 -3.25 0.04 0.00 -1.68 0.00 0.00 37.83 32.76 2wsj s LYS 54 CO 0.16 0.12 0.39 0.00 -0.76 0.00 0.00 175.35 175.27 2wsj s ALA 55 N -0.51 -0.98 -0.12 5.17 0.00 -0.40 -4.60 121.76 120.32 2wsj s ALA 55 Ca 0.48 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 2wsj s ALA 55 Cb -0.30 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2wsj s ALA 55 CO 0.36 -0.22 0.93 0.34 0.00 0.00 0.00 175.76 177.17 2wsj s ASP 56 N -0.33 7.14 -0.16 0.00 2.15 0.06 -4.28 116.67 121.25 2wsj s ASP 56 Ca -0.05 1.40 -0.00 0.00 0.43 0.00 0.00 52.55 54.33 2wsj s ASP 56 Cb -0.03 -2.51 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2wsj s ASP 56 CO 0.02 -0.40 -0.06 -0.63 -0.17 0.00 0.00 175.17 173.94 2wsj s ILE 57 N 1.91 1.13 0.18 4.11 1.01 -1.26 -0.93 121.20 127.35 2wsj s ILE 57 Ca 0.45 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.54 2wsj s ILE 57 Cb -0.18 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2wsj s ILE 57 CO 0.17 0.14 -0.15 0.68 0.00 0.00 0.00 174.94 175.78 2wsj s VAL 58 N 1.63 1.62 -0.23 2.92 -7.23 -0.57 -4.97 120.40 113.57 2wsj s VAL 58 Ca 0.01 -2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 57.94 2wsj s VAL 58 Cb -0.15 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2wsj s VAL 58 CO -0.08 -0.52 0.53 -0.32 -0.31 0.00 0.00 175.10 174.40 2wsj s MET 59 N -3.31 4.13 0.01 4.82 1.75 -1.26 -1.34 119.30 124.09 2wsj s MET 59 Ca 0.18 0.39 -0.22 0.00 -1.25 0.00 0.00 55.69 54.79 2wsj s MET 59 Cb -0.02 -3.61 -0.18 0.00 2.84 0.00 0.00 34.83 33.86 2wsj s MET 59 CO 0.05 -0.26 1.25 -0.07 -0.65 0.00 0.00 175.02 175.35 2wsj h LEU 60 N 8.38 0.29 -7.86 4.11 3.38 -1.17 -3.48 115.31 118.95 2wsj h LEU 60 Ca -0.31 -0.56 0.11 0.00 0.09 0.00 0.00 57.88 57.21 2wsj h LEU 60 Cb 1.15 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 2wsj h LEU 60 CO 0.73 0.80 0.38 0.28 0.09 0.00 0.00 178.44 180.72 2wsj s THR 61 N -3.98 0.00 -0.34 0.22 -1.32 -1.23 -5.05 115.64 103.93 2wsj s THR 61 Ca -0.15 -0.82 -0.37 0.00 -1.21 0.00 0.00 61.69 59.14 2wsj s THR 61 Cb 0.04 -2.24 -0.13 0.00 -1.51 0.00 0.00 72.50 68.65 2wsj s THR 61 CO 0.74 0.00 2.07 1.21 -2.21 0.00 0.00 174.62 176.43 2wsj n GLU 62 N -0.50 1.02 -0.92 7.08 2.13 -1.26 -1.07 120.64 127.11 2wsj n GLU 62 Ca -0.05 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2wsj n GLU 62 Cb 0.60 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 30.03 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 6.03 0.65 3.14 8.31 0.00 -1.25 -4.96 105.19 117.11 2wsj n GLY 63 Ca 0.39 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.47 1.90 -0.08 -0.61 -1.09 -0.24 -4.16 121.20 114.45 2wsj s ILE 64 Ca 0.00 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.55 2wsj s ILE 64 Cb 0.00 -1.69 0.01 0.00 -1.58 0.00 0.00 42.46 39.20 2wsj s ILE 64 CO 0.00 0.52 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.77 2wsj s TYR 65 N 0.81 1.77 -0.12 3.97 1.51 -0.54 -0.53 117.35 124.23 2wsj s TYR 65 Ca -0.08 -0.73 -0.00 0.00 -1.01 0.00 0.00 57.07 55.25 2wsj s TYR 65 Cb -0.16 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 2wsj s TYR 65 CO -0.01 -0.36 -0.12 0.21 -1.11 0.00 0.00 175.55 174.16 2wsj s LYS 66 N 0.75 3.33 -0.07 -0.62 2.20 -0.45 0.21 119.74 125.08 2wsj s LYS 66 Ca -0.12 -0.67 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 2wsj s LYS 66 Cb -0.16 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.54 2wsj s LYS 66 CO 0.03 0.26 -0.15 0.42 -0.36 0.00 0.00 175.35 175.54 2wsj s ILE 67 N 0.24 1.37 -0.04 5.43 1.09 0.76 -1.51 121.20 128.54 2wsj s ILE 67 Ca -0.08 -0.63 0.04 0.00 -1.10 0.00 0.00 60.65 58.88 2wsj s ILE 67 Cb -0.15 -1.22 -0.00 0.00 -1.06 0.00 0.00 42.46 40.02 2wsj s ILE 67 CO 0.05 0.41 -0.16 -0.44 -0.10 0.00 0.00 174.94 174.70 2wsj s SER 68 N 0.50 2.01 0.05 3.58 0.01 -0.10 -0.27 113.70 119.47 2wsj s SER 68 Ca -0.14 -0.33 -0.14 0.00 1.31 0.00 0.00 55.95 56.65 2wsj s SER 68 Cb -0.16 -0.54 0.02 0.00 0.21 0.00 0.00 66.02 65.56 2wsj s SER 68 CO 0.05 0.14 0.31 -1.66 0.41 0.00 0.00 173.24 172.49 2wsj s TRP 69 N 0.04 -0.12 0.03 2.43 -2.14 -1.02 -0.76 118.94 117.41 2wsj s TRP 69 Ca -0.03 -0.03 0.04 0.00 2.66 0.00 0.00 56.10 58.73 2wsj s TRP 69 Cb -0.11 0.11 -0.04 0.00 -3.10 0.00 0.00 33.47 30.34 2wsj s TRP 69 CO 0.02 -0.52 -0.05 -0.08 -2.66 0.00 0.00 176.95 173.65 2wsj s THR 70 N -2.66 3.75 0.14 0.66 -1.32 -1.26 -1.13 115.64 113.81 2wsj s THR 70 Ca -0.04 -0.86 0.03 0.00 -1.21 0.00 0.00 61.69 59.61 2wsj s THR 70 Cb -0.00 -2.68 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 2wsj s THR 70 CO -0.04 0.30 0.21 -0.55 -2.21 0.00 0.00 174.62 172.33 2wsj s SER 71 N -1.72 6.00 0.42 8.08 0.15 0.89 -4.94 113.70 122.58 2wsj s SER 71 Ca 0.20 0.06 0.22 0.00 0.70 0.00 0.00 55.95 57.13 2wsj s SER 71 Cb -0.11 -1.72 1.19 0.00 -1.71 0.00 0.00 66.02 63.66 2wsj s SER 71 CO 0.11 0.08 1.63 -0.65 1.20 0.00 0.00 173.24 175.60 2wsj h PRO 72 N 2.40 0.00 0.00 5.44 0.11 -1.96 -0.07 132.00 137.93 2wsj h PRO 72 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2wsj h PRO 72 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wsj h PRO 72 CO 0.67 0.00 -0.47 1.79 -0.21 0.00 0.00 178.00 179.78 2wsj h THR 73 N 0.00 0.13 0.00 -1.15 1.35 -1.94 -3.19 112.91 108.10 2wsj h THR 73 Ca 0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2wsj h THR 73 Cb 0.38 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2wsj h THR 73 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2wsj n GLY 74 N 1.16 0.47 3.72 5.82 0.00 -0.04 -4.60 105.19 111.71 2wsj n GLY 74 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 3.29 -0.10 2.61 2.01 -1.26 -4.68 115.64 115.52 2wsj s THR 75 Ca 0.00 0.94 -0.03 0.00 0.31 0.00 0.00 61.69 62.91 2wsj s THR 75 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2wsj s THR 75 CO 0.00 0.08 0.02 -1.81 -0.69 0.00 0.00 174.62 172.23 2wsj s ASP 76 N 1.00 5.41 0.01 3.53 1.01 -1.06 -0.07 116.67 126.50 2wsj s ASP 76 Ca 0.63 0.17 0.03 0.00 0.71 0.00 0.00 52.55 54.10 2wsj s ASP 76 Cb -0.37 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.94 2wsj s ASP 76 CO 0.31 0.36 -0.11 -0.69 0.21 0.00 0.00 175.17 175.26 2wsj s VAL 77 N -0.75 0.82 -0.23 -1.27 1.01 -0.28 -0.79 120.40 118.91 2wsj s VAL 77 Ca 0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2wsj s VAL 77 Cb -0.12 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.62 2wsj s VAL 77 CO 0.02 0.11 0.10 0.00 0.00 0.00 0.00 175.10 175.34 2wsj s ALA 78 N -0.47 0.64 -0.14 5.51 0.00 -0.82 -2.42 121.76 124.06 2wsj s ALA 78 Ca 0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2wsj s ALA 78 Cb -0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2wsj s ALA 78 CO 0.00 -1.38 0.05 -0.51 0.00 0.00 0.00 175.76 173.92 2wsj s LEU 79 N 2.05 3.79 -0.26 0.00 1.43 0.62 -1.96 118.68 124.36 2wsj s LEU 79 Ca 0.05 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2wsj s LEU 79 Cb -0.16 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.20 2wsj s LEU 79 CO -0.20 0.29 -0.10 -1.81 0.23 0.00 0.00 176.35 174.75 2wsj s ASP 80 N -0.31 4.40 -0.11 2.29 1.11 0.10 -0.17 116.67 123.99 2wsj s ASP 80 Ca 0.08 -1.32 -0.17 0.00 0.18 0.00 0.00 52.55 51.32 2wsj s ASP 80 Cb -0.12 -1.57 -0.05 0.00 1.07 0.00 0.00 42.92 42.26 2wsj s ASP 80 CO 0.02 -0.18 0.44 -0.36 1.18 0.00 0.00 175.17 176.26 2wsj s PHE 81 N 1.14 3.54 -0.58 4.23 0.40 0.13 -0.39 117.98 126.44 2wsj s PHE 81 Ca -0.07 0.86 0.06 0.00 -0.60 0.00 0.00 56.93 57.18 2wsj s PHE 81 Cb -0.19 -2.48 0.25 0.00 0.51 0.00 0.00 43.02 41.10 2wsj s PHE 81 CO -0.05 0.25 0.69 -1.33 0.70 0.00 0.00 175.22 175.48 2wsj n MET 82 N 3.37 2.09 0.24 0.44 2.81 0.30 -1.46 117.12 124.91 2wsj n MET 82 Ca -0.09 -4.33 0.11 0.00 -1.81 0.00 0.00 57.70 51.58 2wsj n MET 82 Cb 0.52 -2.01 0.60 0.00 -0.71 0.00 0.00 33.22 31.62 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 4.15 0.00 0.00 0.03 0.13 -1.72 -1.92 132.00 132.67 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 0.18 0.00 0.09 -0.23 0.00 0.00 178.00 178.78 2wsj n ASN 84 N -3.54 0.06 -0.18 1.44 3.02 -1.26 -2.24 115.26 112.55 2wsj n ASN 84 Ca -0.01 0.51 0.02 0.00 -0.03 0.00 0.00 54.58 55.07 2wsj n ASN 84 Cb 0.33 -0.53 0.03 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.56 0.27 -3.78 3.52 1.02 -0.77 -5.01 120.64 114.33 2wsj n GLU 85 Ca 0.04 -0.95 -0.26 0.00 -0.02 0.00 0.00 57.16 55.97 2wsj n GLU 85 Cb 0.19 -1.08 0.04 0.00 -0.02 0.00 0.00 31.44 30.56 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 0.16 -5.68 -4.08 3.49 5.02 -0.95 -4.97 118.16 111.16 2wsj n LYS 86 Ca 0.03 0.64 -0.07 0.00 -2.02 0.00 0.00 58.31 56.89 2wsj n LYS 86 Cb 0.15 -5.45 -0.10 0.00 -0.02 0.00 0.00 35.03 29.61 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 -6.31 0.58 0.02 1.97 -0.14 -0.94 -1.37 119.74 113.55 2wsj s LYS 87 Ca 0.40 -1.16 -0.15 0.00 -1.36 0.00 0.00 55.97 53.70 2wsj s LYS 87 Cb -0.20 0.19 0.02 0.00 -1.68 0.00 0.00 37.83 36.17 2wsj s LYS 87 CO 0.81 -0.10 0.33 -1.17 -0.76 0.00 0.00 175.35 174.45 2wsj s LEU 88 N -2.77 0.78 -0.04 3.17 0.20 -0.93 -0.54 118.68 118.55 2wsj s LEU 88 Ca 0.05 -0.03 0.02 0.00 0.69 0.00 0.00 54.13 54.86 2wsj s LEU 88 Cb 0.06 1.39 0.01 0.00 -0.43 0.00 0.00 46.19 47.22 2wsj s LEU 88 CO -0.09 -0.55 -0.10 -2.28 -0.29 0.00 0.00 176.35 173.04 2wsj s HIS 89 N -2.00 1.12 -0.02 5.38 5.65 0.48 -0.76 115.29 125.12 2wsj s HIS 89 Ca -0.09 -0.34 0.03 0.00 0.25 0.00 0.00 55.06 54.91 2wsj s HIS 89 Cb -0.03 -0.83 -0.00 0.00 -1.18 0.00 0.00 32.58 30.54 2wsj s HIS 89 CO 0.00 -0.18 -0.12 0.20 -0.65 0.00 0.00 174.74 173.99 2wsj s GLY 90 N 0.49 0.64 -0.19 1.59 0.00 -0.58 0.03 107.32 109.29 2wsj s GLY 90 Ca -0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 44.72 44.14 2wsj s GLY 90 CO 0.02 -0.26 -0.09 -1.59 0.00 0.00 0.00 173.10 171.17 2wsj s THR 91 N -0.00 3.07 -0.21 0.90 2.01 -0.83 -1.08 115.64 119.51 2wsj s THR 91 Ca -0.01 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 2wsj s THR 91 Cb -0.08 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 2wsj s THR 91 CO 0.00 0.47 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.77 2wsj s ILE 92 N 1.17 3.89 -0.62 1.82 1.01 -0.59 -1.94 121.20 125.94 2wsj s ILE 92 Ca 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 2wsj s ILE 92 Cb -0.14 -2.76 0.16 0.00 0.01 0.00 0.00 42.46 39.72 2wsj s ILE 92 CO -0.03 0.42 0.51 -0.36 0.00 0.00 0.00 174.94 175.48 2wsj s PHE 93 N 1.09 3.51 0.10 3.97 0.40 0.03 -0.89 117.98 126.19 2wsj s PHE 93 Ca 0.02 -2.12 -0.30 0.00 -0.60 0.00 0.00 56.93 53.93 2wsj s PHE 93 Cb -0.14 -3.52 -0.06 0.00 0.51 0.00 0.00 43.02 39.81 2wsj s PHE 93 CO 0.01 -0.95 0.94 -0.06 0.70 0.00 0.00 175.22 175.87 2wsj s PHE 94 N 0.60 3.79 0.58 0.36 0.08 0.10 -2.57 117.98 120.93 2wsj s PHE 94 Ca 0.12 1.76 -0.19 0.00 0.12 0.00 0.00 56.93 58.74 2wsj s PHE 94 Cb -0.20 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 2wsj s PHE 94 CO -0.04 0.20 1.22 -2.14 -0.10 0.00 0.00 175.22 174.36 2wsj s PRO 95 N 0.08 3.05 0.26 0.24 0.02 -1.26 -1.20 135.00 136.18 2wsj s PRO 95 Ca 0.46 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 63.33 2wsj s PRO 95 Cb -0.23 -1.99 0.56 0.00 0.02 0.00 0.00 34.50 32.85 2wsj s PRO 95 CO 0.29 -1.15 1.73 -0.22 -0.33 0.00 0.00 177.00 177.32 2wsj h LYS 96 N 1.03 0.47 -0.00 5.54 1.63 -1.03 -1.80 116.57 122.41 2wsj h LYS 96 Ca -0.50 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.27 2wsj h LYS 96 Cb 1.29 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2wsj h LYS 96 CO 0.56 0.31 -0.00 0.11 -3.45 0.00 0.00 179.45 176.97 2wsj h TRP 97 N 0.48 0.00 -0.29 1.91 5.08 -1.20 -1.91 115.95 120.02 2wsj h TRP 97 Ca 0.47 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.28 2wsj h TRP 97 Cb 0.76 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.91 2wsj h TRP 97 CO -0.14 0.01 -0.47 0.28 -1.28 0.00 0.00 178.44 176.84 2wsj h VAL 98 N 0.00 1.29 -0.39 0.12 2.07 -1.61 0.40 116.25 118.14 2wsj h VAL 98 Ca 0.00 -1.66 -0.11 0.00 0.82 0.00 0.00 66.70 65.75 2wsj h VAL 98 Cb 0.01 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2wsj h VAL 98 CO 0.00 0.54 -0.20 -0.08 0.02 0.00 0.00 177.57 177.85 2wsj h GLU 99 N 0.61 0.75 -0.04 1.57 4.81 -1.44 -1.74 114.58 119.10 2wsj h GLU 99 Ca 0.03 -0.29 -0.24 0.00 -0.13 0.00 0.00 59.36 58.74 2wsj h GLU 99 Cb 1.04 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.39 2wsj h GLU 99 CO 0.10 0.89 -0.92 0.93 -0.73 0.00 0.00 179.01 179.29 2wsj h GLU 100 N 0.67 0.59 -2.10 1.92 5.08 -1.23 -3.38 114.58 116.13 2wsj h GLU 100 Ca 0.10 -0.58 -0.53 0.00 -1.00 0.00 0.00 59.36 57.34 2wsj h GLU 100 Cb 0.69 0.15 -0.41 0.00 0.50 0.00 0.00 28.75 29.68 2wsj h GLU 100 CO 0.05 1.20 -0.91 0.72 -1.00 0.00 0.00 179.01 179.07 2wsj n HIS 101 N -3.83 2.19 0.23 4.33 8.25 0.14 -4.97 115.22 121.56 2wsj n HIS 101 Ca -0.08 -3.86 0.12 0.00 -0.26 0.00 0.00 57.72 53.64 2wsj n HIS 101 Cb 0.82 -0.44 0.73 0.00 1.12 0.00 0.00 29.99 32.21 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 2.98 0.00 0.00 -0.41 0.13 -1.51 -2.27 132.00 130.92 2wsj h PRO 102 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 2wsj h PRO 102 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2wsj h PRO 102 CO 0.67 0.00 -0.17 0.93 -0.23 0.00 0.00 178.00 179.20 2wsj h GLU 103 N 0.00 0.00 -0.95 0.86 4.39 -1.86 -2.35 114.58 114.68 2wsj h GLU 103 Ca 0.04 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.86 2wsj h GLU 103 Cb 0.16 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.73 2wsj h GLU 103 CO -0.00 0.17 0.60 0.82 -1.16 0.00 0.00 179.01 179.44 2wsj h ILE 104 N 0.00 0.91 0.00 3.13 2.04 -1.80 -2.15 117.51 119.63 2wsj h ILE 104 Ca -0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2wsj h ILE 104 Cb 0.60 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2wsj h ILE 104 CO 0.02 0.16 -0.32 0.35 0.00 0.00 0.00 178.15 178.36 2wsj n THR 105 N -4.58 0.17 -2.58 -0.27 -2.24 -0.89 -4.74 114.28 99.13 2wsj n THR 105 Ca 0.18 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 2wsj n THR 105 Cb 0.38 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 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 3.92 0.00 2.28 1.01 -0.81 -4.71 120.40 119.04 2wsj s VAL 106 Ca 0.11 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2wsj s VAL 106 Cb 0.16 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2wsj s VAL 106 CO 0.64 -1.54 0.00 1.07 0.00 0.00 0.00 175.10 175.27 2wsj n THR 107 N 6.52 0.00 -2.69 3.92 5.66 -1.26 -4.86 114.28 121.57 2wsj n THR 107 Ca 0.06 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.64 2wsj n THR 107 Cb 0.49 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 2wsj n THR 107 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2wsj s TYR 108 N -2.00 2.48 0.37 1.09 5.04 -1.26 -2.31 117.35 120.75 2wsj s TYR 108 Ca 0.00 -0.21 0.07 0.00 -2.44 0.00 0.00 57.07 54.49 2wsj s TYR 108 Cb 0.00 -4.46 0.78 0.00 0.35 0.00 0.00 41.96 38.63 2wsj s TYR 108 CO 0.00 -1.85 1.95 0.37 -1.34 0.00 0.00 175.55 174.68 2wsj h GLN 109 N 9.79 0.69 -0.34 4.97 4.15 -1.80 -1.86 115.11 130.70 2wsj h GLN 109 Ca -0.28 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.20 2wsj h GLN 109 Cb 1.06 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2wsj h GLN 109 CO 1.23 0.46 0.26 -0.91 -1.93 0.00 0.00 178.83 177.93 2wsj h ASN 110 N 0.71 0.00 0.19 -0.69 4.21 -1.90 0.14 115.58 118.24 2wsj h ASN 110 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 2wsj h ASN 110 Cb 0.34 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2wsj h ASN 110 CO -0.11 0.00 -0.20 -0.62 -1.29 0.00 0.00 177.43 175.21 2wsj n GLU 111 N -4.34 0.99 -2.76 0.81 1.02 -0.70 -4.33 120.64 111.33 2wsj n GLU 111 Ca 0.05 -0.57 -0.04 0.00 -0.02 0.00 0.00 57.16 56.58 2wsj n GLU 111 Cb 0.43 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.50 1.29 0.13 -0.32 8.25 0.42 -4.91 115.22 119.58 2wsj n HIS 112 Ca 0.14 -2.37 -0.14 0.00 -0.26 0.00 0.00 57.72 55.09 2wsj n HIS 112 Cb 0.35 -0.28 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 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 4.64 0.83 -0.98 1.59 1.08 -1.62 -2.92 117.51 120.14 2wsj h ILE 113 Ca -0.11 -0.34 0.10 0.00 -0.39 0.00 0.00 64.86 64.12 2wsj h ILE 113 Cb 1.24 1.04 -0.08 0.00 -3.07 0.00 0.00 36.82 35.95 2wsj h ILE 113 CO 0.31 0.08 0.62 0.44 -0.69 0.00 0.00 178.15 178.91 2wsj h ASP 114 N -0.47 0.92 -0.44 1.72 5.19 -1.91 -0.95 116.42 120.48 2wsj h ASP 114 Ca -0.03 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2wsj h ASP 114 Cb 0.36 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.68 2wsj h ASP 114 CO 0.05 0.52 0.22 0.25 -3.12 0.00 0.00 179.24 177.16 2wsj h LEU 115 N 1.00 0.33 -0.52 1.55 5.85 -1.93 -0.05 115.31 121.53 2wsj h LEU 115 Ca 0.47 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.18 2wsj h LEU 115 Cb 0.41 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2wsj h LEU 115 CO -0.22 0.23 0.23 0.24 -0.34 0.00 0.00 178.44 178.58 2wsj h MET 116 N 0.45 0.76 -0.46 1.25 2.86 -1.02 -0.63 114.93 118.14 2wsj h MET 116 Ca 0.19 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2wsj h MET 116 Cb 0.09 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2wsj h MET 116 CO -0.13 0.65 -0.16 0.93 1.06 0.00 0.00 176.91 179.25 2wsj h GLU 117 N 0.69 0.88 -0.46 1.72 5.08 -1.09 -1.83 114.58 119.56 2wsj h GLU 117 Ca 0.18 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 2wsj h GLU 117 Cb 0.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2wsj h GLU 117 CO -0.02 0.97 -0.10 1.96 -1.00 0.00 0.00 179.01 180.83 2wsj h GLN 118 N 0.77 0.88 -0.16 2.33 4.20 -0.90 -3.18 115.11 119.06 2wsj h GLN 118 Ca 0.12 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 2wsj h GLN 118 Cb 0.69 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2wsj h GLN 118 CO 0.05 0.97 0.09 0.77 -0.67 0.00 0.00 178.83 180.04 2wsj h SER 119 N 0.72 0.20 0.24 1.46 0.02 -0.95 -1.85 113.55 113.40 2wsj h SER 119 Ca 0.12 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2wsj h SER 119 Cb 0.64 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 2wsj h SER 119 CO 0.04 0.23 -0.08 0.08 -1.14 0.00 0.00 176.83 175.97 2wsj h ARG 120 N 0.16 0.00 0.02 3.45 0.11 -1.38 0.15 114.38 116.89 2wsj h ARG 120 Ca 0.06 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.84 2wsj h ARG 120 Cb 0.07 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.11 2wsj h ARG 120 CO -0.01 0.08 -1.70 0.93 0.10 0.00 0.00 179.97 179.37 2wsj h GLU 121 N 0.00 0.05 0.01 0.08 4.39 -1.51 -3.40 114.58 114.20 2wsj h GLU 121 Ca -0.00 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2wsj h GLU 121 Cb 0.22 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2wsj h GLU 121 CO 0.01 0.66 -0.22 -0.22 -1.16 0.00 0.00 179.01 178.09 2wsj h LYS 122 N 0.01 0.12 -6.65 2.33 3.64 -0.64 -3.47 116.57 111.92 2wsj h LYS 122 Ca -0.29 -0.15 -0.43 0.00 -1.27 0.00 0.00 60.65 58.51 2wsj h LYS 122 Cb 2.00 0.05 0.03 0.00 -0.41 0.00 0.00 32.23 33.90 2wsj h LYS 122 CO 0.09 0.95 -0.14 0.71 -2.27 0.00 0.00 179.45 178.78 2wsj s TYR 123 N -2.86 2.89 0.48 1.91 2.02 0.46 -5.07 117.35 117.20 2wsj s TYR 123 Ca -0.17 -0.14 -0.22 0.00 -0.37 0.00 0.00 57.07 56.18 2wsj s TYR 123 Cb -0.00 -2.53 -0.07 0.00 -0.40 0.00 0.00 41.96 38.96 2wsj s TYR 123 CO 0.73 -0.60 1.12 0.00 -1.57 0.00 0.00 175.55 175.23 2wsj s ALA 124 N -2.55 2.89 -0.12 3.71 0.00 -1.26 -4.80 121.76 119.62 2wsj s ALA 124 Ca 0.55 0.83 0.08 0.00 0.00 0.00 0.00 51.96 53.41 2wsj s ALA 124 Cb -0.10 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 2wsj s ALA 124 CO 0.36 -0.59 -0.01 2.41 0.00 0.00 0.00 175.76 177.93 2wsj n THR 125 N -0.74 0.81 -4.70 0.00 -1.04 -1.26 -0.71 114.28 106.63 2wsj n THR 125 Ca 0.09 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.05 61.35 2wsj n THR 125 Cb 0.50 -0.78 -0.13 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.28 2.47 0.56 -1.42 2.02 -1.26 -0.86 117.35 116.58 2wsj s TYR 126 Ca -0.10 -0.31 -0.18 0.00 -0.37 0.00 0.00 57.07 56.12 2wsj s TYR 126 Cb 0.04 -1.43 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 2wsj s TYR 126 CO 0.44 0.23 1.07 -1.25 -1.57 0.00 0.00 175.55 174.47 2wsj s PRO 127 N -1.44 3.41 0.37 -1.71 0.04 -1.26 -4.84 135.00 129.57 2wsj s PRO 127 Ca 0.14 1.37 -0.22 0.00 0.04 0.00 0.00 61.00 62.33 2wsj s PRO 127 Cb -0.10 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 2wsj s PRO 127 CO 0.05 -0.76 0.92 0.15 0.04 0.00 0.00 177.00 177.39 2wsj s LYS 128 N -3.64 4.35 -0.36 4.56 -0.14 -1.25 -3.74 119.74 119.52 2wsj s LYS 128 Ca 0.67 1.15 -0.17 0.00 -1.36 0.00 0.00 55.97 56.26 2wsj s LYS 128 Cb -0.18 -2.48 -0.00 0.00 -1.68 0.00 0.00 37.83 33.48 2wsj s LYS 128 CO 0.30 0.13 0.43 -1.17 -0.76 0.00 0.00 175.35 174.28 2wsj s LEU 129 N -2.66 4.48 -0.25 3.17 2.96 -0.34 -4.94 118.68 121.09 2wsj s LEU 129 Ca 0.56 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 54.15 2wsj s LEU 129 Cb -0.13 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 2wsj s LEU 129 CO 0.18 -0.43 0.09 -0.69 -1.32 0.00 0.00 176.35 174.18 2wsj s VAL 130 N 2.17 4.45 -0.57 1.68 1.01 -1.26 0.02 120.40 127.90 2wsj s VAL 130 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2wsj s VAL 130 Cb -0.16 -3.09 0.15 0.00 0.00 0.00 0.00 36.38 33.27 2wsj s VAL 130 CO 0.13 0.32 0.36 -0.69 0.00 0.00 0.00 175.10 175.22 2wsj s VAL 131 N 1.64 3.22 -0.88 2.92 1.01 -0.06 -4.97 120.40 123.28 2wsj s VAL 131 Ca 0.06 -3.09 -0.22 0.00 0.00 0.00 0.00 61.98 58.74 2wsj s VAL 131 Cb -0.15 -3.15 0.08 0.00 0.00 0.00 0.00 36.38 33.15 2wsj s VAL 131 CO 0.05 -0.84 1.23 -2.16 0.00 0.00 0.00 175.10 173.38 2wsj s PRO 132 N -0.13 3.44 0.03 2.72 0.04 -1.26 -1.54 135.00 138.30 2wsj s PRO 132 Ca 0.17 -1.13 0.03 0.00 0.04 0.00 0.00 61.00 60.11 2wsj s PRO 132 Cb -0.22 -4.82 -0.02 0.00 0.04 0.00 0.00 34.50 29.48 2wsj s PRO 132 CO -0.02 -1.99 -0.08 -2.00 0.04 0.00 0.00 177.00 172.95 2wsj s GLU 133 N 4.21 0.58 0.71 4.56 2.56 -0.24 -4.99 118.70 126.08 2wsj s GLU 133 Ca 0.35 -0.64 -0.11 0.00 0.00 0.00 0.00 54.97 54.57 2wsj s GLU 133 Cb -0.06 -0.44 0.02 0.00 2.00 0.00 0.00 34.13 35.65 2wsj s GLU 133 CO -0.02 0.10 1.08 -0.06 -0.56 0.00 0.00 175.26 175.80 2wsj s PHE 134 N -1.02 3.25 0.02 5.30 0.08 -1.26 -1.53 117.98 122.82 2wsj s PHE 134 Ca -0.05 1.13 -0.04 0.00 0.12 0.00 0.00 56.93 58.09 2wsj s PHE 134 Cb -0.08 -3.02 -0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2wsj s PHE 134 CO 0.01 -1.23 0.05 0.00 -0.10 0.00 0.00 175.22 173.95 2wsj s ALA 135 N -3.27 -0.04 -0.12 5.36 0.00 0.06 -1.07 121.76 122.68 2wsj s ALA 135 Ca 0.58 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 2wsj s ALA 135 Cb -0.12 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2wsj s ALA 135 CO 0.53 -0.23 0.41 -0.80 0.00 0.00 0.00 175.76 175.66 2wsj s ASN 136 N -1.73 6.60 -0.12 0.00 -0.87 -0.76 -2.19 114.94 115.89 2wsj s ASN 136 Ca -0.11 0.71 -0.30 0.00 -1.57 0.00 0.00 52.86 51.60 2wsj s ASN 136 Cb -0.06 -2.25 -0.01 0.00 -0.02 0.00 0.00 41.25 38.92 2wsj s ASN 136 CO -0.02 0.06 1.05 -0.63 -2.57 0.00 0.00 177.10 174.99 2wsj s ILE 137 N 0.44 4.68 -0.06 0.60 1.01 -0.47 -1.76 121.20 125.64 2wsj s ILE 137 Ca 0.22 1.96 0.16 0.00 0.00 0.00 0.00 60.65 62.99 2wsj s ILE 137 Cb -0.14 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 37.82 2wsj s ILE 137 CO 0.08 -0.02 0.36 0.35 0.00 0.00 0.00 174.94 175.71 2wsj n THR 138 N 4.68 0.00 -3.76 2.92 -2.24 -0.26 -4.89 114.28 110.73 2wsj n THR 138 Ca 0.10 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2wsj n THR 138 Cb 0.48 0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.06 -0.20 -0.13 4.78 5.04 -1.07 -4.96 117.35 117.75 2wsj s TYR 139 Ca -0.05 0.53 -0.01 0.00 -2.44 0.00 0.00 57.07 55.10 2wsj s TYR 139 Cb 0.10 -0.01 0.04 0.00 0.35 0.00 0.00 41.96 42.43 2wsj s TYR 139 CO 0.65 -0.16 -0.03 -1.64 -1.34 0.00 0.00 175.55 173.04 2wsj s MET 140 N 0.87 1.08 -0.04 4.97 -1.94 -1.26 -1.68 119.30 121.31 2wsj s MET 140 Ca -0.06 -0.25 0.05 0.00 -1.71 0.00 0.00 55.69 53.71 2wsj s MET 140 Cb -0.08 -1.62 -0.01 0.00 2.01 0.00 0.00 34.83 35.13 2wsj s MET 140 CO -0.05 -0.39 -0.18 0.20 -0.01 0.00 0.00 175.02 174.60 2wsj s GLY 141 N 1.79 0.93 -0.84 -0.03 0.00 -0.30 -4.96 107.32 103.91 2wsj s GLY 141 Ca 0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 44.72 43.80 2wsj s GLY 141 CO -0.07 -0.45 1.13 -0.35 0.00 0.00 0.00 173.10 173.36 2wsj s ASP 142 N -0.10 6.42 0.28 1.64 2.15 -1.26 -0.16 116.67 125.65 2wsj s ASP 142 Ca -0.01 -1.49 0.24 0.00 0.43 0.00 0.00 52.55 51.71 2wsj s ASP 142 Cb -0.10 -2.44 0.31 0.00 -0.30 0.00 0.00 42.92 40.39 2wsj s ASP 142 CO 0.01 -1.31 1.42 0.00 -0.17 0.00 0.00 175.17 175.13 2wsj h ALA 143 N 9.31 0.79 0.00 3.66 0.00 -1.38 -3.49 119.26 128.15 2wsj h ALA 143 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wsj h ALA 143 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wsj h ALA 143 CO 1.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.85 2wsj n GLY 144 N 1.19 -1.95 3.85 0.00 0.00 -0.98 -4.82 105.19 102.48 2wsj n GLY 144 Ca 0.03 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.68 3.81 -1.48 1.61 -0.21 -1.26 -4.24 119.66 115.21 2wsj s GLN 145 Ca 0.00 0.86 -0.08 0.00 0.02 0.00 0.00 55.36 56.15 2wsj s GLN 145 Cb 0.00 -2.12 0.06 0.00 1.00 0.00 0.00 33.01 31.95 2wsj s GLN 145 CO 0.00 -0.38 0.76 0.09 -2.12 0.00 0.00 175.29 173.64 2wsj n ASN 146 N -2.02 -2.70 -4.41 5.90 3.02 0.11 -4.94 115.26 110.22 2wsj n ASN 146 Ca 0.06 -0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 2wsj n ASN 146 Cb 0.54 -3.54 -0.10 0.00 -0.61 0.00 0.00 39.78 36.07 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 -3.79 5.94 0.45 6.41 3.84 -1.26 -4.97 114.94 121.57 2wsj s ASN 147 Ca 0.38 -1.01 0.28 0.00 0.21 0.00 0.00 52.86 52.72 2wsj s ASN 147 Cb -0.20 -2.10 0.88 0.00 -0.55 0.00 0.00 41.25 39.28 2wsj s ASN 147 CO 0.86 -0.45 1.79 -0.33 -2.79 0.00 0.00 177.10 176.19 2wsj h GLU 148 N 8.55 0.00 0.00 0.43 4.39 -1.95 -3.20 114.58 122.80 2wsj h GLU 148 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2wsj h GLU 148 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2wsj h GLU 148 CO 0.72 0.00 0.00 -0.44 -1.16 0.00 0.00 179.01 178.13 2wsj h ASP 149 N 0.00 0.00 0.89 1.42 5.19 -1.93 -3.39 116.42 118.60 2wsj h ASP 149 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2wsj h ASP 149 Cb 0.72 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.23 2wsj h ASP 149 CO 0.00 0.00 -0.43 0.58 -3.12 0.00 0.00 179.24 176.27 2wsj h VAL 150 N 0.00 0.00 -3.38 -1.35 2.07 -1.85 -3.34 116.25 108.39 2wsj h VAL 150 Ca 0.00 -0.06 -0.66 0.00 0.82 0.00 0.00 66.70 66.80 2wsj h VAL 150 Cb 0.72 0.00 -0.39 0.00 -1.52 0.00 0.00 31.29 30.10 2wsj h VAL 150 CO 0.00 0.00 -0.51 -0.63 0.02 0.00 0.00 177.57 176.45 2wsj s ILE 151 N -5.52 3.08 -0.02 4.57 -1.09 -1.26 -4.89 121.20 116.07 2wsj s ILE 151 Ca -0.18 -3.40 0.03 0.00 -2.23 0.00 0.00 60.65 54.87 2wsj s ILE 151 Cb 0.02 -3.06 0.05 0.00 -1.58 0.00 0.00 42.46 37.89 2wsj s ILE 151 CO 0.53 -0.87 0.85 -1.54 -1.23 0.00 0.00 174.94 172.67 2wsj n SER 152 N 2.99 0.92 -3.46 3.58 3.41 -1.26 -4.88 113.62 114.92 2wsj n SER 152 Ca 0.09 -1.82 -0.13 0.00 -0.26 0.00 0.00 58.87 56.76 2wsj n SER 152 Cb 0.34 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.74 1.12 0.58 4.33 -1.05 -1.26 -5.10 118.70 116.59 2wsj s GLU 153 Ca 0.05 -0.24 -0.20 0.00 -0.15 0.00 0.00 54.97 54.42 2wsj s GLU 153 Cb 0.04 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.22 2wsj s GLU 153 CO 0.00 -0.46 1.27 0.00 0.95 0.00 0.00 175.26 177.03 2wsj n ALA 154 N -0.01 1.19 -1.74 -0.84 0.00 -1.26 -4.98 120.51 112.88 2wsj n ALA 154 Ca -0.16 0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2wsj n ALA 154 Cb 0.62 -2.30 0.01 0.00 0.00 0.00 0.00 19.45 17.78 2wsj n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wsj s PRO 155 N -2.98 3.24 0.20 0.00 0.04 -1.26 -5.07 135.00 129.17 2wsj s PRO 155 Ca 0.75 1.62 0.07 0.00 0.04 0.00 0.00 61.00 63.48 2wsj s PRO 155 Cb -0.41 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2wsj s PRO 155 CO 0.46 -0.94 -0.13 1.52 0.04 0.00 0.00 177.00 177.95 2wsj s TYR 156 N -1.81 1.63 0.17 0.56 -0.85 -1.26 -5.01 117.35 110.78 2wsj s TYR 156 Ca 0.73 -0.62 -0.20 0.00 -0.52 0.00 0.00 57.07 56.46 2wsj s TYR 156 Cb -0.24 -0.77 0.10 0.00 0.38 0.00 0.00 41.96 41.42 2wsj s TYR 156 CO 0.29 0.30 1.33 1.17 -1.52 0.00 0.00 175.55 177.13 2wsj n LYS 157 N -0.35 -0.28 0.00 -3.49 4.81 -1.26 -1.28 118.16 116.32 2wsj n LYS 157 Ca -0.08 1.32 0.15 0.00 -0.87 0.00 0.00 58.31 58.82 2wsj n LYS 157 Cb 0.60 -1.95 0.76 0.00 0.02 0.00 0.00 35.03 34.47 2wsj n LYS 157 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wsj n GLU 158 N -5.19 1.18 0.14 1.64 -0.58 -1.26 -4.49 120.64 112.08 2wsj n GLU 158 Ca 0.06 -0.36 -0.14 0.00 -0.42 0.00 0.00 57.16 56.30 2wsj n GLU 158 Cb 0.29 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 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 0.89 -0.33 -0.86 3.49 4.05 -1.60 -0.77 114.93 119.80 2wsj h MET 159 Ca 0.00 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.60 2wsj h MET 159 Cb 0.22 0.08 -0.10 0.00 -0.80 0.00 0.00 31.60 31.00 2wsj h MET 159 CO 0.00 -0.22 0.44 -1.35 0.23 0.00 0.00 176.91 176.01 2wsj h PRO 160 N -0.34 0.59 0.10 0.39 0.11 -1.79 -1.36 132.00 129.70 2wsj h PRO 160 Ca -0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2wsj h PRO 160 Cb 0.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.28 2wsj h PRO 160 CO 0.00 0.39 -0.05 -0.91 -0.21 0.00 0.00 178.00 177.23 2wsj h ASN 161 N 0.61 -0.11 -0.87 -2.05 2.35 -1.77 -0.93 115.58 112.80 2wsj h ASN 161 Ca 0.47 -0.17 0.23 0.00 -0.55 0.00 0.00 56.30 56.29 2wsj h ASN 161 Cb 0.69 0.03 -0.15 0.00 0.05 0.00 0.00 38.32 38.95 2wsj h ASN 161 CO -0.38 0.10 0.17 0.44 -1.65 0.00 0.00 177.43 176.12 2wsj h ASP 162 N -0.33 -0.11 0.02 5.81 5.19 -0.65 0.24 116.42 126.59 2wsj h ASP 162 Ca -0.01 0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2wsj h ASP 162 Cb 0.27 0.31 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2wsj h ASP 162 CO 0.02 -0.19 -0.01 0.40 -3.12 0.00 0.00 179.24 176.35 2wsj h ILE 163 N 0.16 1.37 -0.17 0.35 2.04 -1.10 0.73 117.51 120.90 2wsj h ILE 163 Ca 0.54 -1.21 0.05 0.00 1.00 0.00 0.00 64.86 65.24 2wsj h ILE 163 Cb 1.07 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2wsj h ILE 163 CO -0.69 0.31 0.13 0.03 0.00 0.00 0.00 178.15 177.93 2wsj h ARG 164 N -0.55 0.00 -0.02 2.37 3.08 -0.67 -2.62 114.38 115.98 2wsj h ARG 164 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wsj h ARG 164 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2wsj h ARG 164 CO 0.00 0.00 -0.16 0.09 -1.07 0.00 0.00 179.97 178.83 2wsj n ASN 165 N -4.42 1.71 -0.93 7.04 3.02 0.80 -4.96 115.26 117.53 2wsj n ASN 165 Ca 0.01 -1.40 -0.05 0.00 -0.03 0.00 0.00 54.58 53.11 2wsj n ASN 165 Cb 0.26 0.12 0.01 0.00 -0.61 0.00 0.00 39.78 39.56 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 1.30 0.42 0.48 7.41 0.00 -0.99 -4.97 105.19 108.85 2wsj n GLY 166 Ca 0.14 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.51 1.36 0.00 1.61 5.02 0.23 -4.80 118.16 120.08 2wsj n LYS 167 Ca -0.02 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 2wsj n LYS 167 Cb 0.53 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.10 0.00 -4.23 2.13 9.36 -1.19 -4.85 117.16 117.28 2wsj n TYR 168 Ca 0.17 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.13 2wsj n TYR 168 Cb 0.70 0.04 -0.08 0.00 -0.63 0.00 0.00 39.34 39.37 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 -1.83 2.78 0.43 2.98 0.08 -1.26 -2.94 117.98 118.22 2wsj s PHE 169 Ca 0.00 -0.17 -0.05 0.00 0.12 0.00 0.00 56.93 56.83 2wsj s PHE 169 Cb 0.00 -1.33 0.10 0.00 -0.57 0.00 0.00 43.02 41.21 2wsj s PHE 169 CO 0.00 0.53 0.58 -0.40 -0.10 0.00 0.00 175.22 175.84 2wsj n ASP 170 N -0.23 0.25 0.11 1.36 5.68 0.18 -4.88 116.55 119.02 2wsj n ASP 170 Ca -0.09 -1.33 0.17 0.00 -0.50 0.00 0.00 54.79 53.03 2wsj n ASP 170 Cb 0.56 -0.43 0.72 0.00 -1.14 0.00 0.00 41.12 40.83 2wsj n ASP 170 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2wsj h GLN 171 N 0.00 0.00 -0.69 0.11 4.20 -2.01 -1.13 115.11 115.58 2wsj h GLN 171 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2wsj h GLN 171 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2wsj h GLN 171 CO 0.15 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.40 2wsj n ASN 172 N -4.20 3.75 -2.81 1.46 3.02 -1.26 -4.94 115.26 110.27 2wsj n ASN 172 Ca 0.05 -2.00 -0.19 0.00 -0.03 0.00 0.00 54.58 52.42 2wsj n ASN 172 Cb 0.43 -0.46 0.06 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.56 -2.11 -4.20 3.10 4.19 -0.43 -5.05 117.16 114.22 2wsj n TYR 173 Ca 0.23 0.71 -0.26 0.00 3.31 0.00 0.00 57.90 61.89 2wsj n TYR 173 Cb 0.59 -4.08 -0.07 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 -3.20 2.86 0.56 2.98 3.76 -1.26 -4.77 115.29 116.21 2wsj s HIS 174 Ca 0.41 -0.13 -0.19 0.00 -0.15 0.00 0.00 55.06 55.00 2wsj s HIS 174 Cb -0.18 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 2wsj s HIS 174 CO 0.51 0.52 1.13 1.03 -0.85 0.00 0.00 174.74 177.08 2wsj s ARG 175 N -2.99 3.29 0.00 1.40 0.52 -1.26 0.50 118.95 120.41 2wsj s ARG 175 Ca 0.28 1.58 0.29 0.00 -0.52 0.00 0.00 55.73 57.35 2wsj s ARG 175 Cb -0.09 -2.00 1.20 0.00 0.52 0.00 0.00 34.95 34.58 2wsj s ARG 175 CO 0.19 -0.89 1.83 -0.11 0.02 0.00 0.00 175.30 176.34