#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wb1 n GLY -3 N 0.00 3.68 3.72 0.62 0.00 -1.26 -5.11 105.19 106.85 1wb1 n GLY -3 Ca 0.00 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1wb1 n GLY -3 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wb1 s ARG -2 N -3.53 1.63 0.15 1.61 1.70 -1.26 -4.91 118.95 114.36 1wb1 s ARG -2 Ca 0.00 1.27 -0.34 0.00 -0.47 0.00 0.00 55.73 56.19 1wb1 s ARG -2 Cb 0.00 -1.82 -0.15 0.00 -0.57 0.00 0.00 34.95 32.41 1wb1 s ARG -2 CO 0.00 -2.12 1.36 -0.35 -1.08 0.00 0.00 175.30 173.11 1wb1 n PRO -1 N -3.85 1.54 -0.39 3.89 -0.04 -1.26 -4.95 135.00 129.93 1wb1 n PRO -1 Ca 0.10 0.55 -0.23 0.00 -0.04 0.00 0.00 63.50 63.88 1wb1 n PRO -1 Cb 0.53 -2.18 0.21 0.00 -0.04 0.00 0.00 33.50 32.02 1wb1 n PRO -1 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wb1 n HIS 0 N 2.32 -2.96 0.25 0.54 8.25 -1.26 -4.82 115.22 117.54 1wb1 n HIS 0 Ca 0.16 -0.36 -0.03 0.00 -0.26 0.00 0.00 57.72 57.22 1wb1 n HIS 0 Cb 0.25 -1.37 0.10 0.00 1.12 0.00 0.00 29.99 30.09 1wb1 n HIS 0 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1wb1 n MET 1 N -3.62 1.91 0.00 -0.41 2.81 -1.26 -4.98 117.12 111.57 1wb1 n MET 1 Ca 0.09 -1.12 0.00 0.00 -1.81 0.00 0.00 57.70 54.87 1wb1 n MET 1 Cb 0.46 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1wb1 n MET 1 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1wb1 n ASP 2 N 0.06 0.00 -3.23 7.83 5.75 -1.26 -4.90 116.55 120.79 1wb1 n ASP 2 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1wb1 n ASP 2 Cb 0.77 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1wb1 n ASP 2 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1wb1 n PHE 3 N 0.00 -0.17 -3.64 2.11 3.01 -1.26 -5.07 117.46 112.45 1wb1 n PHE 3 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 1wb1 n PHE 3 Cb 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.32 1wb1 n PHE 3 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1wb1 s LYS 4 N 0.00 0.06 -1.00 -1.08 2.47 -1.02 -5.02 119.74 114.16 1wb1 s LYS 4 Ca 0.00 0.48 -0.19 0.00 -1.56 0.00 0.00 55.97 54.70 1wb1 s LYS 4 Cb 0.00 -0.50 0.12 0.00 -1.46 0.00 0.00 37.83 35.98 1wb1 s LYS 4 CO 0.00 -0.38 1.25 -0.80 0.16 0.00 0.00 175.35 175.58 1wb1 s ASN 5 N 2.29 6.67 0.46 1.43 0.02 -1.26 -0.70 114.94 123.85 1wb1 s ASN 5 Ca 0.04 -2.06 0.02 0.00 -1.02 0.00 0.00 52.86 49.84 1wb1 s ASN 5 Cb -0.13 -2.44 0.07 0.00 0.02 0.00 0.00 41.25 38.77 1wb1 s ASN 5 CO -0.07 -1.12 0.49 -0.38 0.02 0.00 0.00 177.10 176.04 1wb1 n ILE 6 N 5.71 0.00 0.00 0.60 2.08 -1.21 -4.79 119.36 121.74 1wb1 n ILE 6 Ca 0.28 -0.94 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1wb1 n ILE 6 Cb 0.49 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 1wb1 n ILE 6 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1wb1 n ASN 7 N -2.81 0.00 -4.93 4.38 0.23 -1.26 -3.14 115.26 107.73 1wb1 n ASN 7 Ca 0.09 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.93 1wb1 n ASN 7 Cb 0.32 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.07 1wb1 n ASN 7 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 1wb1 s LEU 8 N 0.00 3.27 0.09 -4.53 2.34 -1.25 -3.34 118.68 115.26 1wb1 s LEU 8 Ca 0.00 -0.22 0.06 0.00 0.06 0.00 0.00 54.13 54.03 1wb1 s LEU 8 Cb 0.00 -2.56 -0.03 0.00 -0.56 0.00 0.00 46.19 43.04 1wb1 s LEU 8 CO 0.00 -1.22 -0.16 -0.83 -1.06 0.00 0.00 176.35 173.08 1wb1 s GLY 9 N -4.49 0.99 -0.64 -3.48 0.00 -1.25 -1.87 107.32 96.58 1wb1 s GLY 9 Ca 0.59 -1.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.13 1wb1 s GLY 9 CO 0.39 -1.15 0.49 -0.42 0.00 0.00 0.00 173.10 172.41 1wb1 s ILE 10 N -1.44 4.19 0.71 0.90 1.01 -1.26 -0.08 121.20 125.23 1wb1 s ILE 10 Ca 0.02 -2.66 -0.00 0.00 0.00 0.00 0.00 60.65 58.00 1wb1 s ILE 10 Cb -0.09 -3.70 0.13 0.00 0.01 0.00 0.00 42.46 38.81 1wb1 s ILE 10 CO 0.03 -0.89 0.99 -0.36 0.00 0.00 0.00 174.94 174.70 1wb1 s PHE 11 N 0.22 1.58 0.00 3.97 2.99 0.60 -4.71 117.98 122.64 1wb1 s PHE 11 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 56.93 56.79 1wb1 s PHE 11 Cb -0.19 -2.96 0.00 0.00 0.00 0.00 0.00 43.02 39.87 1wb1 s PHE 11 CO -0.04 -1.69 0.00 0.41 -0.00 0.00 0.00 175.22 173.90 1wb1 n GLY 12 N -2.81 4.31 3.76 4.36 0.00 -1.26 0.01 105.19 113.56 1wb1 n GLY 12 Ca 0.15 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1wb1 n GLY 12 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wb1 s HIS 13 N -2.10 3.35 0.22 1.61 2.46 -1.26 -4.89 115.29 114.68 1wb1 s HIS 13 Ca 0.00 1.60 -0.28 0.00 0.47 0.00 0.00 55.06 56.85 1wb1 s HIS 13 Cb 0.00 -3.41 -0.16 0.00 -0.13 0.00 0.00 32.58 28.88 1wb1 s HIS 13 CO 0.00 -1.02 0.62 1.51 -2.47 0.00 0.00 174.74 173.37 1wb1 n ILE 14 N 0.91 2.00 0.00 0.89 0.13 -1.26 -2.28 119.36 119.74 1wb1 n ILE 14 Ca -0.00 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.15 1wb1 n ILE 14 Cb 0.44 -0.20 0.00 0.00 -0.84 0.00 0.00 39.64 39.04 1wb1 n ILE 14 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1wb1 n ASP 15 N 1.84 0.00 -0.36 9.51 9.92 -1.26 -4.92 116.55 131.28 1wb1 n ASP 15 Ca 0.16 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.46 1wb1 n ASP 15 Cb 0.26 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.84 1wb1 n ASP 15 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1wb1 n HIS 16 N -2.00 0.26 0.00 1.24 8.25 -0.97 -4.82 115.22 117.19 1wb1 n HIS 16 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1wb1 n HIS 16 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wb1 n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wb1 n GLY 17 N 0.81 1.05 0.23 -1.41 0.00 -1.26 -4.22 105.19 100.39 1wb1 n GLY 17 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1wb1 n GLY 17 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wb1 h LYS 18 N 2.71 -0.18 -0.52 1.61 3.64 -1.88 -0.68 116.57 121.28 1wb1 h LYS 18 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1wb1 h LYS 18 Cb 0.00 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1wb1 h LYS 18 CO 0.00 -0.12 0.23 1.15 -2.27 0.00 0.00 179.45 178.45 1wb1 h THR 19 N -0.18 1.18 -0.54 1.00 2.02 -1.95 -2.74 112.91 111.69 1wb1 h THR 19 Ca 0.04 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1wb1 h THR 19 Cb 0.29 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1wb1 h THR 19 CO -0.31 0.21 0.23 0.74 0.37 0.00 0.00 175.52 176.76 1wb1 h THR 20 N 0.73 1.22 0.00 3.16 2.02 -1.86 -1.24 112.91 116.93 1wb1 h THR 20 Ca 0.18 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1wb1 h THR 20 Cb 0.10 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1wb1 h THR 20 CO -0.02 0.25 0.00 -0.11 0.37 0.00 0.00 175.52 176.01 1wb1 n LEU 21 N -4.53 0.07 -0.08 2.58 0.00 -0.31 -1.74 117.00 112.99 1wb1 n LEU 21 Ca 0.03 0.52 -0.17 0.00 0.00 0.00 0.00 56.01 56.38 1wb1 n LEU 21 Cb 0.15 -0.51 -0.12 0.00 0.00 0.00 0.00 43.42 42.94 1wb1 n LEU 21 CO 0.38 -0.30 -0.00 0.28 0.00 0.00 0.00 177.39 177.75 1wb1 h SER 22 N 0.00 0.00 -0.96 1.96 0.02 -1.03 -2.51 113.55 111.03 1wb1 h SER 22 Ca 0.00 -0.77 0.16 0.00 -0.84 0.00 0.00 61.79 60.34 1wb1 h SER 22 Cb 0.25 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.70 1wb1 h SER 22 CO 0.00 1.20 0.61 0.11 -1.14 0.00 0.00 176.83 177.61 1wb1 h LYS 23 N -1.00 0.74 -0.49 3.45 1.57 -0.97 0.43 116.57 120.30 1wb1 h LYS 23 Ca -0.15 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1wb1 h LYS 23 Cb 1.11 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1wb1 h LYS 23 CO -0.09 0.49 -0.05 0.28 -0.57 0.00 0.00 179.45 179.51 1wb1 h VAL 24 N 0.77 1.25 0.11 0.50 2.07 -1.43 -2.91 116.25 116.62 1wb1 h VAL 24 Ca 0.51 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1wb1 h VAL 24 Cb 0.78 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1wb1 h VAL 24 CO -0.28 0.39 -0.06 0.25 0.02 0.00 0.00 177.57 177.90 1wb1 h LEU 25 N 0.78 -0.13 0.00 2.57 7.12 -0.14 -3.38 115.31 122.14 1wb1 h LEU 25 Ca 0.14 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1wb1 h LEU 25 Cb 0.54 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1wb1 h LEU 25 CO 0.03 0.46 0.00 0.41 -0.13 0.00 0.00 178.44 179.21 1wb1 n THR 26 N -4.85 0.00 -0.04 1.05 -1.04 0.12 -2.72 114.28 106.80 1wb1 n THR 26 Ca -0.05 0.01 0.18 0.00 -2.04 0.00 0.00 64.05 62.15 1wb1 n THR 26 Cb 0.19 -0.70 0.27 0.00 -1.82 0.00 0.00 70.33 68.27 1wb1 n THR 26 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wb1 n GLU 27 N 0.00 0.02 -0.32 -2.82 1.02 -1.21 0.28 120.64 117.60 1wb1 n GLU 27 Ca 0.00 0.94 0.07 0.00 -0.02 0.00 0.00 57.16 58.15 1wb1 n GLU 27 Cb 0.00 -2.39 0.22 0.00 -0.02 0.00 0.00 31.44 29.25 1wb1 n GLU 27 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1wb1 n ILE 28 N -2.88 1.53 1.51 -3.67 2.08 -1.10 -4.14 119.36 112.69 1wb1 n ILE 28 Ca 0.15 -1.31 0.00 0.00 0.56 0.00 0.00 62.75 62.15 1wb1 n ILE 28 Cb 1.28 0.21 0.01 0.00 -0.75 0.00 0.00 39.64 40.39 1wb1 n ILE 28 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wb1 n ALA 29 N 0.28 2.52 -0.01 -1.39 0.00 0.80 -1.35 120.51 121.36 1wb1 n ALA 29 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1wb1 n ALA 29 Cb 0.64 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 1wb1 n ALA 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wb1 n SER 30 N -0.23 3.89 -4.87 0.00 3.41 -1.26 -4.96 113.62 109.60 1wb1 n SER 30 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.34 1wb1 n SER 30 Cb 0.13 0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 64.87 1wb1 n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wb1 s THR 31 N -2.19 4.98 -0.01 6.66 2.01 -0.45 -5.03 115.64 121.61 1wb1 s THR 31 Ca -0.02 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 1wb1 s THR 31 Cb 0.02 -3.50 -0.31 0.00 0.01 0.00 0.00 72.50 68.73 1wb1 s THR 31 CO 0.19 0.01 0.83 -1.28 -0.69 0.00 0.00 174.62 173.67 1wb1 h SER 32 N 2.67 0.58 -3.30 3.53 0.87 -1.97 -3.40 113.55 112.53 1wb1 h SER 32 Ca -0.47 -0.77 -0.76 0.00 -1.23 0.00 0.00 61.79 58.55 1wb1 h SER 32 Cb 1.18 -0.19 -0.24 0.00 -0.44 0.00 0.00 62.40 62.71 1wb1 h SER 32 CO 0.69 1.64 -0.05 0.00 -0.53 0.00 0.00 176.83 178.58 1wb1 s ALA 33 N -2.60 3.77 -1.25 6.23 0.00 -1.26 -4.96 121.76 121.68 1wb1 s ALA 33 Ca -0.11 -2.79 0.00 0.00 0.00 0.00 0.00 51.96 49.06 1wb1 s ALA 33 Cb 0.06 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1wb1 s ALA 33 CO 0.88 -2.17 0.09 0.72 0.00 0.00 0.00 175.76 175.27 1wb1 n HIS 34 N 4.96 0.00 -3.64 0.00 -0.00 -1.26 -4.66 115.22 110.62 1wb1 n HIS 34 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.60 1wb1 n HIS 34 Cb 0.43 -0.01 -0.07 0.00 -0.00 0.00 0.00 29.99 30.34 1wb1 n HIS 34 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1wb1 s ASP 35 N -1.12 -0.73 0.00 0.41 1.47 -1.26 -4.60 116.67 110.84 1wb1 s ASP 35 Ca 0.00 1.28 0.00 0.00 1.18 0.00 0.00 52.55 55.01 1wb1 s ASP 35 Cb 0.00 1.30 0.00 0.00 -0.34 0.00 0.00 42.92 43.88 1wb1 s ASP 35 CO 0.00 -0.21 0.00 0.29 0.68 0.00 0.00 175.17 175.93 1wb1 n LYS 36 N 3.34 -0.11 0.09 2.11 4.76 -1.26 -4.91 118.16 122.18 1wb1 n LYS 36 Ca -0.17 0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.26 1wb1 n LYS 36 Cb 0.57 -4.07 -0.02 0.00 -1.84 0.00 0.00 35.03 29.67 1wb1 n LYS 36 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1wb1 h LEU 37 N 0.00 -0.25 -8.66 -0.35 4.07 -1.94 -3.38 115.31 104.81 1wb1 h LEU 37 Ca 0.00 0.01 -0.68 0.00 0.08 0.00 0.00 57.88 57.29 1wb1 h LEU 37 Cb 0.06 0.07 -0.18 0.00 1.08 0.00 0.00 40.66 41.68 1wb1 h LEU 37 CO 0.00 -0.15 -0.34 -2.16 -1.08 0.00 0.00 178.44 174.71 1wb1 s PRO 38 N -3.57 3.36 0.00 1.13 0.04 -1.26 -5.00 135.00 129.70 1wb1 s PRO 38 Ca -0.04 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1wb1 s PRO 38 Cb 0.01 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1wb1 s PRO 38 CO 0.12 -0.60 0.48 -1.91 0.04 0.00 0.00 177.00 175.12 1wb1 n GLU 39 N 5.32 0.00 0.00 4.56 2.13 -1.26 -3.91 120.64 127.48 1wb1 n GLU 39 Ca -0.10 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1wb1 n GLU 39 Cb 0.49 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 31.03 1wb1 n GLU 39 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1wb1 n SER 40 N -1.69 0.00 -0.29 4.31 2.88 -1.26 -3.54 113.62 114.03 1wb1 n SER 40 Ca 0.00 0.87 0.03 0.00 -1.33 0.00 0.00 58.87 58.44 1wb1 n SER 40 Cb 0.00 -0.37 0.08 0.00 -0.75 0.00 0.00 64.21 63.17 1wb1 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wb1 n GLN 41 N -1.92 -0.12 0.21 -1.46 10.64 -1.26 -1.16 117.38 122.31 1wb1 n GLN 41 Ca 0.00 1.23 0.00 0.00 -1.83 0.00 0.00 57.00 56.40 1wb1 n GLN 41 Cb 0.00 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 1wb1 n GLN 41 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1wb1 n LYS 42 N -5.24 0.02 -3.02 2.61 5.02 -1.23 -0.80 118.16 115.51 1wb1 n LYS 42 Ca 0.11 0.61 -0.43 0.00 -2.02 0.00 0.00 58.31 56.59 1wb1 n LYS 42 Cb 0.37 -1.98 0.01 0.00 -0.02 0.00 0.00 35.03 33.40 1wb1 n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wb1 n ARG 43 N -1.85 4.43 0.00 1.97 5.12 -0.31 -5.00 116.66 121.01 1wb1 n ARG 43 Ca 0.00 -4.56 0.00 0.00 -1.93 0.00 0.00 57.85 51.36 1wb1 n ARG 43 Cb 0.73 -2.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 1wb1 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wb1 n GLY 44 N 1.30 -3.22 0.00 -0.13 0.00 0.01 -5.01 105.19 98.14 1wb1 n GLY 44 Ca 0.26 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1wb1 n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wb1 n ILE 45 N -0.80 0.00 -1.30 -0.61 5.41 -1.26 -5.06 119.36 115.74 1wb1 n ILE 45 Ca 0.00 0.00 -0.52 0.00 1.00 0.00 0.00 62.75 63.23 1wb1 n ILE 45 Cb 0.00 -0.07 -0.08 0.00 -0.71 0.00 0.00 39.64 38.78 1wb1 n ILE 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1wb1 n THR 46 N -0.70 0.00 -0.77 1.39 -1.04 -1.26 -4.81 114.28 107.08 1wb1 n THR 46 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1wb1 n THR 46 Cb 0.08 -0.39 0.13 0.00 -1.82 0.00 0.00 70.33 68.32 1wb1 n THR 46 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1wb1 n ILE 47 N 3.52 0.00 -3.81 12.58 -5.35 -1.26 -4.98 119.36 120.05 1wb1 n ILE 47 Ca 0.28 -0.22 -0.28 0.00 -0.27 0.00 0.00 62.75 62.26 1wb1 n ILE 47 Cb -0.04 -0.61 -0.16 0.00 -1.74 0.00 0.00 39.64 37.08 1wb1 n ILE 47 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1wb1 s ASP 48 N -1.97 3.18 0.00 7.28 2.15 -1.26 -4.96 116.67 121.08 1wb1 s ASP 48 Ca 0.56 -0.91 0.27 0.00 0.43 0.00 0.00 52.55 52.90 1wb1 s ASP 48 Cb -0.19 -0.80 0.74 0.00 -0.30 0.00 0.00 42.92 42.36 1wb1 s ASP 48 CO 0.67 -0.27 1.57 -0.38 -0.17 0.00 0.00 175.17 176.59 1wb1 n ILE 49 N 4.92 0.00 0.00 4.11 2.08 -1.26 -4.88 119.36 124.33 1wb1 n ILE 49 Ca -0.10 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 62.88 1wb1 n ILE 49 Cb 0.46 0.84 0.00 0.00 -0.75 0.00 0.00 39.64 40.19 1wb1 n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wb1 n GLY 50 N 1.24 0.73 1.12 7.39 0.00 -1.26 -4.96 105.19 109.45 1wb1 n GLY 50 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1wb1 n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wb1 n PHE 51 N 0.00 0.31 -2.20 1.61 3.01 -1.26 -4.87 117.46 114.05 1wb1 n PHE 51 Ca 0.00 -1.28 -0.42 0.00 1.01 0.00 0.00 57.45 56.75 1wb1 n PHE 51 Cb 0.00 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 39.22 1wb1 n PHE 51 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1wb1 s SER 52 N -2.92 6.80 0.32 4.37 0.01 -1.26 -4.96 113.70 116.07 1wb1 s SER 52 Ca 0.37 2.02 0.06 0.00 1.31 0.00 0.00 55.95 59.72 1wb1 s SER 52 Cb 0.38 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 1wb1 s SER 52 CO -0.09 -0.82 0.21 0.00 0.41 0.00 0.00 173.24 172.95 1wb1 n ALA 53 N 6.54 0.60 -3.40 1.44 0.00 -1.26 -1.90 120.51 122.53 1wb1 n ALA 53 Ca 0.15 -1.79 0.02 0.00 0.00 0.00 0.00 53.44 51.83 1wb1 n ALA 53 Cb 0.44 1.36 -0.05 0.00 0.00 0.00 0.00 19.45 21.20 1wb1 n ALA 53 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1wb1 s PHE 54 N -3.12 -0.23 0.34 0.00 -0.71 -0.58 -4.70 117.98 108.98 1wb1 s PHE 54 Ca 0.30 0.41 -0.28 0.00 -1.04 0.00 0.00 56.93 56.33 1wb1 s PHE 54 Cb 0.01 0.14 -0.09 0.00 -1.21 0.00 0.00 43.02 41.87 1wb1 s PHE 54 CO 0.21 -0.11 1.19 0.15 -1.34 0.00 0.00 175.22 175.32 1wb1 s LYS 55 N 1.75 4.33 -0.15 1.99 1.02 -1.26 -3.51 119.74 123.91 1wb1 s LYS 55 Ca -0.03 1.94 -0.04 0.00 0.02 0.00 0.00 55.97 57.85 1wb1 s LYS 55 Cb -0.02 -2.95 0.06 0.00 -0.52 0.00 0.00 37.83 34.39 1wb1 s LYS 55 CO -0.14 -0.11 0.10 -1.17 -0.92 0.00 0.00 175.35 173.10 1wb1 s LEU 56 N -1.96 0.24 0.00 3.17 2.96 0.48 -4.97 118.68 118.60 1wb1 s LEU 56 Ca 0.51 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1wb1 s LEU 56 Cb -0.34 -0.14 0.00 0.00 0.50 0.00 0.00 46.19 46.22 1wb1 s LEU 56 CO 0.44 -0.33 0.00 1.21 -1.32 0.00 0.00 176.35 176.35 1wb1 n GLU 57 N 5.29 0.00 0.00 1.98 2.13 -1.26 0.20 120.64 128.98 1wb1 n GLU 57 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1wb1 n GLU 57 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 1wb1 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1wb1 n ASN 58 N 1.15 0.00 -4.67 4.31 2.85 -1.26 -4.95 115.26 112.68 1wb1 n ASN 58 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 1wb1 n ASN 58 Cb 0.00 -0.13 -0.07 0.00 1.24 0.00 0.00 39.78 40.82 1wb1 n ASN 58 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1wb1 s TYR 59 N -0.62 3.38 -1.22 1.20 1.51 0.53 -2.43 117.35 119.70 1wb1 s TYR 59 Ca 0.00 0.69 -0.05 0.00 -1.01 0.00 0.00 57.07 56.70 1wb1 s TYR 59 Cb 0.00 -2.58 0.20 0.00 -0.11 0.00 0.00 41.96 39.47 1wb1 s TYR 59 CO 0.00 -0.02 2.06 -2.13 -1.11 0.00 0.00 175.55 174.34 1wb1 n ARG 60 N 4.51 4.62 -2.27 -0.62 3.00 0.12 -0.39 116.66 125.63 1wb1 n ARG 60 Ca -0.07 -3.89 -0.41 0.00 -0.00 0.00 0.00 57.85 53.49 1wb1 n ARG 60 Cb 0.51 -2.63 -0.03 0.00 0.00 0.00 0.00 32.46 30.31 1wb1 n ARG 60 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1wb1 s ILE 61 N -1.83 3.07 -0.19 5.15 1.01 -1.23 -3.32 121.20 123.87 1wb1 s ILE 61 Ca 0.45 1.06 -0.04 0.00 0.00 0.00 0.00 60.65 62.12 1wb1 s ILE 61 Cb 0.15 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 39.03 1wb1 s ILE 61 CO -0.06 0.25 0.18 0.28 0.00 0.00 0.00 174.94 175.58 1wb1 s THR 62 N -1.04 -0.25 0.46 2.92 -1.32 -1.19 -1.53 115.64 113.69 1wb1 s THR 62 Ca 0.48 -0.12 -0.22 0.00 -1.21 0.00 0.00 61.69 60.62 1wb1 s THR 62 Cb -0.36 -0.64 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 1wb1 s THR 62 CO 0.47 -0.22 0.68 0.18 -2.21 0.00 0.00 174.62 173.52 1wb1 n LEU 63 N 5.31 1.01 -3.88 9.08 4.77 -0.80 -3.87 117.00 128.62 1wb1 n LEU 63 Ca -0.06 0.90 -0.32 0.00 -0.03 0.00 0.00 56.01 56.50 1wb1 n LEU 63 Cb 0.49 -1.20 -0.08 0.00 -2.33 0.00 0.00 43.42 40.31 1wb1 n LEU 63 CO 0.09 -2.51 0.25 0.55 -1.33 0.00 0.00 177.39 174.44 1wb1 n VAL 64 N -0.98 2.68 -2.79 4.08 3.14 -0.78 -4.56 118.33 119.12 1wb1 n VAL 64 Ca 0.11 -5.15 -0.42 0.00 -2.96 0.00 0.00 64.34 55.93 1wb1 n VAL 64 Cb 0.41 -2.23 -0.03 0.00 -1.06 0.00 0.00 33.84 30.93 1wb1 n VAL 64 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1wb1 s ASP 65 N -1.24 7.25 -0.18 6.55 1.01 -1.26 -4.03 116.67 124.77 1wb1 s ASP 65 Ca 0.30 1.52 -0.23 0.00 0.71 0.00 0.00 52.55 54.85 1wb1 s ASP 65 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1wb1 s ASP 65 CO -0.09 -0.26 0.73 0.00 0.21 0.00 0.00 175.17 175.75 1wb1 s ALA 66 N 1.16 3.53 -2.27 5.23 0.00 -1.26 -4.90 121.76 123.25 1wb1 s ALA 66 Ca 0.48 -0.12 0.28 0.00 0.00 0.00 0.00 51.96 52.60 1wb1 s ALA 66 Cb -0.20 -3.10 1.09 0.00 0.00 0.00 0.00 23.12 20.92 1wb1 s ALA 66 CO 0.24 -0.59 1.77 -0.35 0.00 0.00 0.00 175.76 176.82 1wb1 n PRO 67 N 5.12 1.40 0.00 0.00 -0.04 -1.26 -4.93 135.00 135.28 1wb1 n PRO 67 Ca 0.01 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1wb1 n PRO 67 Cb 0.49 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1wb1 n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wb1 n GLY 68 N 1.19 6.31 0.00 0.55 0.00 -1.26 -5.09 105.19 106.90 1wb1 n GLY 68 Ca 0.18 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1wb1 n GLY 68 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wb1 n HIS 69 N 0.00 0.00 0.28 1.61 1.44 -1.26 -4.52 115.22 112.77 1wb1 n HIS 69 Ca 0.00 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.86 1wb1 n HIS 69 Cb 0.00 0.00 0.80 0.00 0.12 0.00 0.00 29.99 30.91 1wb1 n HIS 69 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wb1 h ALA 70 N -2.00 1.22 -0.00 1.59 0.00 -2.01 0.11 119.26 118.16 1wb1 h ALA 70 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wb1 h ALA 70 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wb1 h ALA 70 CO 0.00 0.10 0.03 0.22 0.00 0.00 0.00 179.25 179.60 1wb1 h ASP 71 N 0.00 0.00 0.60 0.00 1.82 -2.01 -0.59 116.42 116.25 1wb1 h ASP 71 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1wb1 h ASP 71 Cb 0.30 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.31 1wb1 h ASP 71 CO 0.01 0.00 -0.29 0.25 -1.61 0.00 0.00 179.24 177.60 1wb1 h LEU 72 N 0.00 -0.68 0.00 2.28 6.46 -1.01 -3.35 115.31 119.01 1wb1 h LEU 72 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1wb1 h LEU 72 Cb 0.05 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1wb1 h LEU 72 CO -0.00 -0.41 0.00 -0.38 -0.62 0.00 0.00 178.44 177.03 1wb1 n ILE 73 N -5.40 0.00 -0.11 4.05 -0.00 -0.23 -0.36 119.36 117.31 1wb1 n ILE 73 Ca -0.12 0.18 0.09 0.00 -0.00 0.00 0.00 62.75 62.90 1wb1 n ILE 73 Cb 0.35 -0.32 0.14 0.00 -0.00 0.00 0.00 39.64 39.81 1wb1 n ILE 73 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1wb1 n ARG 74 N -0.23 -0.00 0.13 0.38 0.00 -1.25 0.24 116.66 115.93 1wb1 n ARG 74 Ca 0.00 0.23 -0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1wb1 n ARG 74 Cb 0.00 -0.49 -0.07 0.00 -0.00 0.00 0.00 32.46 31.90 1wb1 n ARG 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wb1 h ALA 75 N 0.27 -0.39 0.00 2.89 0.00 -0.87 1.20 119.26 122.37 1wb1 h ALA 75 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wb1 h ALA 75 Cb 0.63 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wb1 h ALA 75 CO -0.06 -0.47 0.11 1.55 0.00 0.00 0.00 179.25 180.38 1wb1 n VAL 76 N -5.07 1.12 -0.03 0.00 3.14 0.67 -0.69 118.33 117.47 1wb1 n VAL 76 Ca -0.09 0.66 -0.03 0.00 -2.96 0.00 0.00 64.34 61.93 1wb1 n VAL 76 Cb 0.26 -1.66 -0.01 0.00 -1.06 0.00 0.00 33.84 31.37 1wb1 n VAL 76 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1wb1 n VAL 77 N -1.93 0.57 -0.11 1.55 0.31 -1.00 -4.03 118.33 113.69 1wb1 n VAL 77 Ca -0.01 0.37 0.03 0.00 -0.01 0.00 0.00 64.34 64.71 1wb1 n VAL 77 Cb 0.13 -1.83 0.06 0.00 -0.91 0.00 0.00 33.84 31.29 1wb1 n VAL 77 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wb1 n SER 78 N -3.24 -0.09 -3.67 4.52 3.41 0.41 -2.57 113.62 112.40 1wb1 n SER 78 Ca -0.05 0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 58.78 1wb1 n SER 78 Cb 0.18 -0.16 -0.16 0.00 -0.26 0.00 0.00 64.21 63.81 1wb1 n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wb1 s ALA 79 N -5.28 1.01 -0.03 7.33 0.00 0.13 -4.82 121.76 120.11 1wb1 s ALA 79 Ca -0.04 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1wb1 s ALA 79 Cb 0.08 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 1wb1 s ALA 79 CO 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 175.76 174.53 1wb1 n ALA 80 N 5.06 1.93 -0.07 0.00 0.00 -1.06 -4.26 120.51 122.10 1wb1 n ALA 80 Ca -0.06 -0.19 0.17 0.00 0.00 0.00 0.00 53.44 53.37 1wb1 n ALA 80 Cb 0.44 0.24 0.60 0.00 0.00 0.00 0.00 19.45 20.73 1wb1 n ALA 80 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wb1 h ASP 81 N 0.00 0.19 0.38 0.00 3.32 -1.91 -2.90 116.42 115.51 1wb1 h ASP 81 Ca -0.08 0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.66 1wb1 h ASP 81 Cb 1.17 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.72 1wb1 h ASP 81 CO 0.00 0.10 -1.44 0.40 -1.72 0.00 0.00 179.24 176.59 1wb1 h ILE 82 N 0.21 1.31 -2.42 0.35 1.08 -1.87 -3.45 117.51 112.72 1wb1 h ILE 82 Ca 0.30 -2.81 -0.56 0.00 -0.39 0.00 0.00 64.86 61.41 1wb1 h ILE 82 Cb 0.90 2.98 -0.02 0.00 -3.07 0.00 0.00 36.82 37.60 1wb1 h ILE 82 CO -0.06 0.84 1.33 -0.63 -0.69 0.00 0.00 178.15 178.95 1wb1 s ILE 83 N -2.62 3.39 -0.09 -0.67 1.01 -1.10 -4.70 121.20 116.42 1wb1 s ILE 83 Ca -0.08 0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.81 1wb1 s ILE 83 Cb 0.05 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.81 1wb1 s ILE 83 CO 0.92 -0.44 0.43 0.44 0.00 0.00 0.00 174.94 176.28 1wb1 h ASP 84 N 13.87 -0.10 -3.08 3.58 3.32 -1.86 -3.47 116.42 128.68 1wb1 h ASP 84 Ca -0.32 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1wb1 h ASP 84 Cb 1.18 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1wb1 h ASP 84 CO 1.07 0.51 0.00 -0.11 -1.72 0.00 0.00 179.24 178.99 1wb1 n LEU 85 N -4.82 0.00 0.00 1.55 -0.00 -1.26 -4.37 117.00 108.10 1wb1 n LEU 85 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1wb1 n LEU 85 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1wb1 n LEU 85 CO 0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1wb1 n ALA 86 N -3.00 0.00 -2.77 1.96 0.00 -1.14 -3.85 120.51 111.72 1wb1 n ALA 86 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1wb1 n ALA 86 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1wb1 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wb1 s LEU 87 N 0.00 4.05 -0.19 0.00 1.43 0.88 -2.41 118.68 122.44 1wb1 s LEU 87 Ca 0.00 0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1wb1 s LEU 87 Cb 0.00 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1wb1 s LEU 87 CO 0.00 0.18 0.09 -0.63 0.23 0.00 0.00 176.35 176.22 1wb1 s ILE 88 N 0.37 5.07 0.13 -0.59 1.01 -0.92 -0.29 121.20 125.98 1wb1 s ILE 88 Ca 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1wb1 s ILE 88 Cb -0.12 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1wb1 s ILE 88 CO -0.01 0.46 0.35 -0.69 0.00 0.00 0.00 174.94 175.05 1wb1 s VAL 89 N 0.29 5.19 -0.21 2.92 1.01 0.10 -0.86 120.40 128.85 1wb1 s VAL 89 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1wb1 s VAL 89 Cb -0.12 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.70 1wb1 s VAL 89 CO -0.01 0.06 0.52 0.54 0.00 0.00 0.00 175.10 176.21 1wb1 s VAL 90 N -1.63 -0.01 0.48 2.92 0.11 -0.66 -4.25 120.40 117.35 1wb1 s VAL 90 Ca 0.40 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 59.26 1wb1 s VAL 90 Cb -0.12 -0.76 -0.07 0.00 -1.53 0.00 0.00 36.38 33.90 1wb1 s VAL 90 CO 0.25 0.02 1.26 -0.62 -3.33 0.00 0.00 175.10 172.68 1wb1 s ASP 91 N 1.30 5.90 -0.05 3.54 2.15 -1.26 0.40 116.67 128.65 1wb1 s ASP 91 Ca -0.08 2.54 -0.26 0.00 0.43 0.00 0.00 52.55 55.18 1wb1 s ASP 91 Cb -0.07 -2.62 -0.21 0.00 -0.30 0.00 0.00 42.92 39.72 1wb1 s ASP 91 CO -0.13 -1.12 1.11 0.00 -0.17 0.00 0.00 175.17 174.86 1wb1 h ALA 92 N 2.00 -0.03 0.52 3.66 0.00 -1.75 -3.07 119.26 120.60 1wb1 h ALA 92 Ca -0.50 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 1wb1 h ALA 92 Cb 1.26 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1wb1 h ALA 92 CO 0.60 -0.21 -0.25 0.87 0.00 0.00 0.00 179.25 180.26 1wb1 h LYS 93 N -0.65 -0.68 -0.88 0.00 1.57 -1.83 -3.33 116.57 110.78 1wb1 h LYS 93 Ca -0.00 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1wb1 h LYS 93 Cb 0.61 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 1wb1 h LYS 93 CO 0.00 -0.45 0.57 1.49 -0.57 0.00 0.00 179.45 180.49 1wb1 h GLU 94 N -1.05 0.84 0.00 3.15 4.81 -1.92 -3.48 114.58 116.92 1wb1 h GLU 94 Ca -0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1wb1 h GLU 94 Cb 0.54 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1wb1 h GLU 94 CO 0.12 0.55 0.00 0.41 -0.73 0.00 0.00 179.01 179.36 1wb1 n GLY 95 N -1.41 -2.28 3.49 1.92 0.00 -1.16 -4.93 105.19 100.82 1wb1 n GLY 95 Ca 0.15 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 1wb1 n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wb1 n PRO 96 N -1.61 0.67 -4.53 1.61 -0.04 -1.26 -4.72 135.00 125.12 1wb1 n PRO 96 Ca 0.00 0.25 -0.25 0.00 -0.04 0.00 0.00 63.50 63.46 1wb1 n PRO 96 Cb 0.00 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 31.68 1wb1 n PRO 96 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1wb1 s LYS 97 N -1.86 1.79 0.04 0.54 -0.14 -1.26 -4.98 119.74 113.87 1wb1 s LYS 97 Ca 0.66 -1.97 -0.09 0.00 -1.36 0.00 0.00 55.97 53.21 1wb1 s LYS 97 Cb -0.53 -1.41 -0.02 0.00 -1.68 0.00 0.00 37.83 34.19 1wb1 s LYS 97 CO 0.56 -0.02 0.89 2.41 -0.76 0.00 0.00 175.35 178.43 1wb1 n THR 98 N -0.80 -0.19 -0.10 2.17 -1.04 -1.26 0.17 114.28 113.22 1wb1 n THR 98 Ca -0.04 1.36 0.26 0.00 -2.04 0.00 0.00 64.05 63.59 1wb1 n THR 98 Cb 0.65 -1.75 0.63 0.00 -1.82 0.00 0.00 70.33 68.05 1wb1 n THR 98 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1wb1 h GLN 99 N 0.00 0.00 0.00 -2.82 5.75 -1.98 2.36 115.11 118.43 1wb1 h GLN 99 Ca 0.04 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1wb1 h GLN 99 Cb 0.11 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 1wb1 h GLN 99 CO -0.26 0.00 -0.15 1.15 -2.65 0.00 0.00 178.83 176.92 1wb1 h THR 100 N 0.00 0.41 0.00 2.39 2.02 0.13 -2.53 112.91 115.34 1wb1 h THR 100 Ca 0.38 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1wb1 h THR 100 Cb 2.04 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1wb1 h THR 100 CO -0.00 0.15 -0.24 1.23 0.37 0.00 0.00 175.52 177.02 1wb1 h GLY 101 N 1.90 0.00 -0.93 2.16 0.00 0.41 -3.12 103.07 103.49 1wb1 h GLY 101 Ca -0.00 0.00 0.42 0.00 0.00 0.00 0.00 47.33 47.74 1wb1 h GLY 101 CO 0.02 0.00 0.99 0.83 0.00 0.00 0.00 176.54 178.38 1wb1 h GLU 102 N -0.97 0.06 -0.33 4.80 5.08 -1.53 1.84 114.58 123.53 1wb1 h GLU 102 Ca 0.00 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1wb1 h GLU 102 Cb 0.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1wb1 h GLU 102 CO 0.00 0.04 -0.42 0.45 -1.00 0.00 0.00 179.01 178.08 1wb1 h HIS 103 N 0.07 1.01 0.00 4.33 3.86 -1.53 -0.73 115.15 122.16 1wb1 h HIS 103 Ca 0.72 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1wb1 h HIS 103 Cb 2.65 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 30.91 1wb1 h HIS 103 CO -0.00 1.11 0.00 -1.33 0.86 0.00 0.00 177.93 178.57 1wb1 n MET 104 N -4.04 0.00 -0.29 2.45 2.81 0.62 -1.14 117.12 117.53 1wb1 n MET 104 Ca -0.02 0.37 -0.08 0.00 -1.81 0.00 0.00 57.70 56.16 1wb1 n MET 104 Cb 0.55 -1.24 -0.07 0.00 -0.71 0.00 0.00 33.22 31.75 1wb1 n MET 104 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wb1 n LEU 105 N -1.61 -0.74 -0.07 4.03 7.99 -0.56 -0.80 117.00 125.24 1wb1 n LEU 105 Ca 0.00 1.36 -0.03 0.00 -0.01 0.00 0.00 56.01 57.33 1wb1 n LEU 105 Cb 0.00 -0.22 -0.02 0.00 -0.11 0.00 0.00 43.42 43.07 1wb1 n LEU 105 CO 0.00 -1.07 0.50 0.40 -1.51 0.00 0.00 177.39 175.71 1wb1 h ILE 106 N 0.00 0.00 0.00 -0.08 2.04 -1.18 0.58 117.51 118.87 1wb1 h ILE 106 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1wb1 h ILE 106 Cb 0.29 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1wb1 h ILE 106 CO -0.65 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.68 1wb1 n LEU 107 N -3.44 0.00 -0.26 1.44 4.77 -0.11 -0.90 117.00 118.50 1wb1 n LEU 107 Ca -0.00 0.83 0.03 0.00 -0.03 0.00 0.00 56.01 56.84 1wb1 n LEU 107 Cb 0.07 -0.33 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1wb1 n LEU 107 CO -0.02 -0.33 0.46 -0.67 -1.33 0.00 0.00 177.39 175.49 1wb1 n ASP 108 N -2.27 -0.31 0.00 -1.43 2.03 0.02 0.28 116.55 114.88 1wb1 n ASP 108 Ca 0.00 1.23 0.00 0.00 0.52 0.00 0.00 54.79 56.54 1wb1 n ASP 108 Cb 0.00 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1wb1 n ASP 108 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1wb1 n HIS 109 N -5.13 0.00 -1.46 -0.67 8.25 0.19 0.42 115.22 116.82 1wb1 n HIS 109 Ca 0.10 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.63 1wb1 n HIS 109 Cb 0.34 -0.29 0.14 0.00 1.12 0.00 0.00 29.99 31.29 1wb1 n HIS 109 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1wb1 n PHE 110 N -1.28 0.00 -2.74 4.41 3.01 0.81 -4.98 117.46 116.69 1wb1 n PHE 110 Ca 0.00 -1.00 -0.05 0.00 1.01 0.00 0.00 57.45 57.41 1wb1 n PHE 110 Cb 0.17 -0.17 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 1wb1 n PHE 110 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1wb1 n ASN 111 N -1.02 -1.10 -4.61 4.37 4.05 0.17 -4.85 115.26 112.27 1wb1 n ASN 111 Ca 0.14 0.29 -0.42 0.00 0.45 0.00 0.00 54.58 55.05 1wb1 n ASN 111 Cb 0.70 -1.07 -0.05 0.00 1.23 0.00 0.00 39.78 40.59 1wb1 n ASN 111 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1wb1 s ILE 112 N -2.14 4.76 0.43 -1.44 1.01 -1.25 -5.02 121.20 117.55 1wb1 s ILE 112 Ca 0.10 1.10 -0.25 0.00 0.00 0.00 0.00 60.65 61.60 1wb1 s ILE 112 Cb -0.06 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 1wb1 s ILE 112 CO 0.12 -0.32 1.25 -0.81 0.00 0.00 0.00 174.94 175.18 1wb1 n PRO 113 N 6.30 1.85 -4.25 2.79 -0.04 -1.26 -4.50 135.00 135.89 1wb1 n PRO 113 Ca 0.04 0.66 -0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1wb1 n PRO 113 Cb 0.48 -2.36 -0.10 0.00 -0.04 0.00 0.00 33.50 31.48 1wb1 n PRO 113 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1wb1 s ILE 114 N -1.21 0.42 -0.15 0.52 -5.25 -1.26 -2.88 121.20 111.39 1wb1 s ILE 114 Ca 0.62 -1.98 -0.02 0.00 -0.99 0.00 0.00 60.65 58.28 1wb1 s ILE 114 Cb -0.51 -2.40 0.05 0.00 2.95 0.00 0.00 42.46 42.55 1wb1 s ILE 114 CO 0.57 -0.18 0.01 -0.63 -1.79 0.00 0.00 174.94 172.92 1wb1 s ILE 115 N -3.85 0.55 -0.30 8.37 1.01 -1.01 -4.40 121.20 121.57 1wb1 s ILE 115 Ca 0.33 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 1wb1 s ILE 115 Cb 0.07 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 1wb1 s ILE 115 CO 0.09 0.00 1.51 -0.69 0.00 0.00 0.00 174.94 175.85 1wb1 s VAL 116 N 1.87 3.83 -0.36 2.92 1.01 -0.71 -2.18 120.40 126.78 1wb1 s VAL 116 Ca 0.01 0.91 -0.09 0.00 0.00 0.00 0.00 61.98 62.82 1wb1 s VAL 116 Cb -0.15 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1wb1 s VAL 116 CO -0.07 -0.46 0.16 -0.69 0.00 0.00 0.00 175.10 174.04 1wb1 s VAL 117 N 5.25 4.20 -0.36 2.92 1.01 -0.04 -1.63 120.40 131.75 1wb1 s VAL 117 Ca 0.66 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 1wb1 s VAL 117 Cb -0.20 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1wb1 s VAL 117 CO 0.29 -0.23 0.82 -0.63 0.00 0.00 0.00 175.10 175.35 1wb1 s ILE 118 N 1.48 4.71 0.00 2.22 1.01 -0.52 -1.65 121.20 128.44 1wb1 s ILE 118 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1wb1 s ILE 118 Cb -0.20 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.04 1wb1 s ILE 118 CO 0.05 -0.43 0.00 0.35 0.00 0.00 0.00 174.94 174.91 1wb1 n THR 119 N 5.79 0.00 -1.70 2.92 -2.24 0.16 0.05 114.28 119.27 1wb1 n THR 119 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1wb1 n THR 119 Cb 0.48 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1wb1 n THR 119 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wb1 n LYS 120 N 0.00 -0.89 0.27 -0.78 5.02 -1.24 -3.39 118.16 117.14 1wb1 n LYS 120 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1wb1 n LYS 120 Cb 0.00 0.00 0.77 0.00 -0.02 0.00 0.00 35.03 35.78 1wb1 n LYS 120 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1wb1 h SER 121 N 0.36 0.00 0.00 4.39 0.02 -1.79 -3.29 113.55 113.24 1wb1 h SER 121 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wb1 h SER 121 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wb1 h SER 121 CO 0.00 0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 174.88 1wb1 n ASP 122 N -3.67 0.00 -0.53 3.07 5.68 -1.26 -3.40 116.55 116.44 1wb1 n ASP 122 Ca -0.02 0.85 0.00 0.00 -0.50 0.00 0.00 54.79 55.12 1wb1 n ASP 122 Cb 0.21 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1wb1 n ASP 122 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1wb1 n ASN 123 N -1.72 0.19 -4.66 -1.12 6.94 -1.24 -4.75 115.26 108.90 1wb1 n ASN 123 Ca 0.00 -0.34 -0.27 0.00 -0.02 0.00 0.00 54.58 53.95 1wb1 n ASN 123 Cb 0.00 -0.09 -0.08 0.00 -2.36 0.00 0.00 39.78 37.26 1wb1 n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wb1 s ALA 124 N -0.90 3.18 1.04 -2.53 0.00 -1.22 -4.91 121.76 116.44 1wb1 s ALA 124 Ca 0.00 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 1wb1 s ALA 124 Cb 0.00 -1.00 0.22 0.00 0.00 0.00 0.00 23.12 22.34 1wb1 s ALA 124 CO 0.00 0.51 1.18 0.20 0.00 0.00 0.00 175.76 177.65 1wb1 s GLY 125 N -2.82 1.63 0.19 0.00 0.00 -1.26 -4.93 107.32 100.13 1wb1 s GLY 125 Ca 0.27 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 44.11 1wb1 s GLY 125 CO 0.18 -0.12 1.48 -0.84 0.00 0.00 0.00 173.10 173.79 1wb1 h THR 126 N -1.98 1.37 0.10 0.90 2.02 -1.98 -3.06 112.91 110.29 1wb1 h THR 126 Ca -0.47 -2.03 -0.34 0.00 0.77 0.00 0.00 66.41 64.34 1wb1 h THR 126 Cb 1.29 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.70 1wb1 h THR 126 CO 0.44 0.61 -1.81 -0.33 0.37 0.00 0.00 175.52 174.80 1wb1 h GLU 127 N 0.28 0.22 -0.11 6.66 4.39 -1.97 -2.49 114.58 121.57 1wb1 h GLU 127 Ca -0.02 -0.38 0.03 0.00 0.34 0.00 0.00 59.36 59.34 1wb1 h GLU 127 Cb 1.22 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1wb1 h GLU 127 CO 0.11 1.05 0.29 0.93 -1.16 0.00 0.00 179.01 180.23 1wb1 h GLU 128 N 0.06 0.00 0.00 2.33 5.08 -1.91 0.55 114.58 120.69 1wb1 h GLU 128 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1wb1 h GLU 128 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1wb1 h GLU 128 CO 0.11 0.00 -0.49 -0.89 -1.00 0.00 0.00 179.01 176.74 1wb1 n ILE 129 N -3.23 1.01 -0.13 3.13 5.41 -1.16 -2.35 119.36 122.04 1wb1 n ILE 129 Ca 0.00 0.28 0.07 0.00 1.00 0.00 0.00 62.75 64.10 1wb1 n ILE 129 Cb 0.37 -2.11 0.14 0.00 -0.71 0.00 0.00 39.64 37.33 1wb1 n ILE 129 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1wb1 n LYS 130 N -3.89 -0.03 0.04 0.38 5.02 -0.68 0.54 118.16 119.54 1wb1 n LYS 130 Ca -0.07 0.57 -0.02 0.00 -2.02 0.00 0.00 58.31 56.77 1wb1 n LYS 130 Cb 0.26 -0.93 -0.01 0.00 -0.02 0.00 0.00 35.03 34.32 1wb1 n LYS 130 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1wb1 h ARG 131 N 0.00 -0.13 -1.47 1.97 2.43 -0.10 -2.57 114.38 114.51 1wb1 h ARG 131 Ca 0.25 0.01 0.48 0.00 -0.81 0.00 0.00 59.98 59.91 1wb1 h ARG 131 Cb 0.56 0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 30.01 1wb1 h ARG 131 CO -0.35 -0.09 0.98 0.00 -1.51 0.00 0.00 179.97 179.00 1wb1 h THR 132 N -0.50 0.05 -0.00 0.20 1.03 0.49 2.40 112.91 116.58 1wb1 h THR 132 Ca -0.01 -0.01 -0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1wb1 h THR 132 Cb 0.10 0.02 -0.00 0.00 -1.07 0.00 0.00 68.15 67.20 1wb1 h THR 132 CO 0.02 0.01 -0.00 -0.08 -0.01 0.00 0.00 175.52 175.46 1wb1 h GLU 133 N 0.03 0.00 -0.54 0.00 4.81 -0.22 -3.07 114.58 115.59 1wb1 h GLU 133 Ca 0.87 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 60.16 1wb1 h GLU 133 Cb 2.93 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 32.22 1wb1 h GLU 133 CO -0.36 0.48 -0.56 1.98 -0.73 0.00 0.00 179.01 179.82 1wb1 h MET 134 N -0.47 -0.30 0.00 1.92 4.05 0.44 -1.70 114.93 118.88 1wb1 h MET 134 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1wb1 h MET 134 Cb 0.48 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1wb1 h MET 134 CO 0.00 -0.20 0.00 -0.89 0.23 0.00 0.00 176.91 176.05 1wb1 n ILE 135 N -5.35 0.00 -0.18 1.77 5.41 -0.35 -1.60 119.36 119.07 1wb1 n ILE 135 Ca -0.02 1.41 0.05 0.00 1.00 0.00 0.00 62.75 65.19 1wb1 n ILE 135 Cb 0.33 -2.17 0.11 0.00 -0.71 0.00 0.00 39.64 37.19 1wb1 n ILE 135 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1wb1 n MET 136 N -2.14 -0.04 0.00 0.38 1.56 -1.09 0.18 117.12 115.97 1wb1 n MET 136 Ca 0.00 0.78 0.00 0.00 -0.27 0.00 0.00 57.70 58.21 1wb1 n MET 136 Cb 0.00 -1.19 0.00 0.00 2.15 0.00 0.00 33.22 34.18 1wb1 n MET 136 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1wb1 n LYS 137 N -4.72 0.00 -0.06 2.12 3.00 -0.62 -1.78 118.16 116.10 1wb1 n LYS 137 Ca 0.10 0.48 -0.02 0.00 -0.00 0.00 0.00 58.31 58.87 1wb1 n LYS 137 Cb 0.32 -1.22 -0.01 0.00 0.00 0.00 0.00 35.03 34.11 1wb1 n LYS 137 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wb1 n SER 138 N -1.54 -0.15 -0.31 3.14 2.88 0.13 0.14 113.62 117.90 1wb1 n SER 138 Ca 0.00 0.57 0.11 0.00 -1.33 0.00 0.00 58.87 58.22 1wb1 n SER 138 Cb 0.00 -0.19 0.25 0.00 -0.75 0.00 0.00 64.21 63.52 1wb1 n SER 138 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1wb1 h ILE 139 N 0.00 0.16 -0.83 2.46 2.04 -1.41 3.06 117.51 122.99 1wb1 h ILE 139 Ca 0.02 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1wb1 h ILE 139 Cb 0.06 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.18 1wb1 h ILE 139 CO -0.14 0.01 0.54 -0.07 0.00 0.00 0.00 178.15 178.50 1wb1 h LEU 140 N 0.07 0.90 -1.15 1.44 3.38 0.20 -0.11 115.31 120.03 1wb1 h LEU 140 Ca 0.53 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.57 1wb1 h LEU 140 Cb 1.05 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1wb1 h LEU 140 CO -0.81 0.63 0.59 1.56 0.09 0.00 0.00 178.44 180.50 1wb1 h GLN 141 N 1.05 0.94 -0.24 1.13 1.08 0.68 -2.03 115.11 117.72 1wb1 h GLN 141 Ca 0.32 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1wb1 h GLN 141 Cb -0.01 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 1wb1 h GLN 141 CO -0.09 0.62 0.14 1.03 -0.95 0.00 0.00 178.83 179.59 1wb1 h SER 142 N 0.97 0.29 -4.46 1.46 0.87 0.17 -3.45 113.55 109.40 1wb1 h SER 142 Ca 0.41 -0.01 -0.49 0.00 -1.23 0.00 0.00 61.79 60.47 1wb1 h SER 142 Cb 0.31 -0.07 0.08 0.00 -0.44 0.00 0.00 62.40 62.28 1wb1 h SER 142 CO -0.17 0.23 0.40 0.28 -0.53 0.00 0.00 176.83 177.04 1wb1 s THR 143 N -5.28 3.36 0.00 2.23 -1.32 -0.76 -4.93 115.64 108.94 1wb1 s THR 143 Ca -0.07 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 1wb1 s THR 143 Cb 0.17 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.76 1wb1 s THR 143 CO 0.71 -0.58 0.04 1.57 -2.21 0.00 0.00 174.62 174.15 1wb1 n HIS 144 N -3.08 0.00 -0.22 9.09 -0.00 -1.26 -4.05 115.22 115.70 1wb1 n HIS 144 Ca 0.07 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.18 1wb1 n HIS 144 Cb 0.57 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.48 1wb1 n HIS 144 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1wb1 h ASN 145 N 0.00 0.80 0.11 0.26 2.35 -1.94 -2.94 115.58 114.22 1wb1 h ASN 145 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1wb1 h ASN 145 Cb 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1wb1 h ASN 145 CO 0.00 0.71 0.00 0.18 -1.65 0.00 0.00 177.43 176.67 1wb1 n LEU 146 N -4.51 0.00 0.00 1.61 4.77 -1.26 -4.38 117.00 113.23 1wb1 n LEU 146 Ca 0.04 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1wb1 n LEU 146 Cb 0.13 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1wb1 n LEU 146 CO 0.38 -0.09 0.00 1.17 -1.33 0.00 0.00 177.39 177.52 1wb1 n LYS 147 N -1.14 0.00 -3.69 3.23 3.00 -1.11 -2.42 118.16 116.03 1wb1 n LYS 147 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.10 1wb1 n LYS 147 Cb 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.98 1wb1 n LYS 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wb1 s ASN 148 N -4.01 3.44 0.00 3.14 6.03 -1.26 -3.97 114.94 118.31 1wb1 s ASN 148 Ca 0.00 -3.01 0.00 0.00 -1.03 0.00 0.00 52.86 48.82 1wb1 s ASN 148 Cb 0.00 -1.04 0.00 0.00 -3.03 0.00 0.00 41.25 37.18 1wb1 s ASN 148 CO 0.00 -0.20 0.00 -1.20 -2.03 0.00 0.00 177.10 173.67 1wb1 n SER 149 N 3.03 0.00 -4.40 3.54 7.64 -1.02 -5.10 113.62 117.30 1wb1 n SER 149 Ca 0.16 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.77 1wb1 n SER 149 Cb 0.37 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 1wb1 n SER 149 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wb1 s SER 150 N -1.00 3.31 -0.30 6.43 1.04 -1.26 -5.03 113.70 116.90 1wb1 s SER 150 Ca 0.00 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.62 1wb1 s SER 150 Cb 0.00 -0.23 0.08 0.00 0.10 0.00 0.00 66.02 65.97 1wb1 s SER 150 CO 0.00 0.12 -0.00 -0.63 0.98 0.00 0.00 173.24 173.71 1wb1 s ILE 151 N -1.56 1.90 -0.16 -1.02 -1.09 -1.26 -1.75 121.20 116.27 1wb1 s ILE 151 Ca 0.18 -1.82 0.01 0.00 -2.23 0.00 0.00 60.65 56.80 1wb1 s ILE 151 Cb -0.08 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.55 1wb1 s ILE 151 CO 0.09 -0.38 -0.20 -0.63 -1.23 0.00 0.00 174.94 172.59 1wb1 s ILE 152 N 1.15 2.17 0.05 2.92 1.01 -0.65 -4.96 121.20 122.89 1wb1 s ILE 152 Ca 0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 1wb1 s ILE 152 Cb -0.19 -1.89 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 1wb1 s ILE 152 CO -0.09 0.54 0.41 -2.16 0.00 0.00 0.00 174.94 173.63 1wb1 s PRO 153 N 1.03 3.83 -0.03 2.79 0.04 -1.25 -1.43 135.00 139.97 1wb1 s PRO 153 Ca -0.02 0.28 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 1wb1 s PRO 153 Cb -0.14 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1wb1 s PRO 153 CO -0.06 0.61 0.27 0.96 0.04 0.00 0.00 177.00 178.81 1wb1 s ILE 154 N -1.27 0.05 -0.92 0.56 -5.25 0.11 -4.78 121.20 109.70 1wb1 s ILE 154 Ca 0.29 -0.41 -0.20 0.00 -0.99 0.00 0.00 60.65 59.33 1wb1 s ILE 154 Cb -0.15 -0.53 0.10 0.00 2.95 0.00 0.00 42.46 44.83 1wb1 s ILE 154 CO 0.16 -0.23 1.19 -0.55 -1.79 0.00 0.00 174.94 173.73 1wb1 s SER 155 N -1.00 6.53 0.15 4.36 0.15 -1.13 -3.09 113.70 119.66 1wb1 s SER 155 Ca -0.11 -1.73 -0.27 0.00 0.70 0.00 0.00 55.95 54.55 1wb1 s SER 155 Cb -0.05 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1wb1 s SER 155 CO 0.03 -1.24 1.37 0.00 1.20 0.00 0.00 173.24 174.59 1wb1 n ALA 156 N 7.35 -0.53 0.11 5.45 0.00 -1.26 -1.18 120.51 130.44 1wb1 n ALA 156 Ca 0.23 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.43 1wb1 n ALA 156 Cb 0.49 -0.15 0.31 0.00 0.00 0.00 0.00 19.45 20.11 1wb1 n ALA 156 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wb1 h LYS 157 N 0.00 0.23 -0.60 0.00 3.64 -1.94 -3.15 116.57 114.76 1wb1 h LYS 157 Ca 0.16 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1wb1 h LYS 157 Cb 0.38 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1wb1 h LYS 157 CO -0.84 0.49 0.06 0.25 -2.27 0.00 0.00 179.45 177.14 1wb1 n THR 158 N -4.15 2.79 -1.15 1.00 -2.24 -0.33 -4.61 114.28 105.60 1wb1 n THR 158 Ca -0.01 -1.50 -0.07 0.00 -2.27 0.00 0.00 64.05 60.20 1wb1 n THR 158 Cb 0.37 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 1wb1 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wb1 n GLY 159 N 0.38 0.68 3.76 3.38 0.00 -0.63 -4.90 105.19 107.87 1wb1 n GLY 159 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 1wb1 n GLY 159 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wb1 s PHE 160 N -1.54 2.81 0.00 1.61 5.36 -1.08 -2.93 117.98 122.21 1wb1 s PHE 160 Ca 0.00 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 1wb1 s PHE 160 Cb 0.00 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 1wb1 s PHE 160 CO 0.00 -2.88 0.00 0.41 -1.46 0.00 0.00 175.22 171.29 1wb1 n GLY 161 N 1.36 0.00 0.00 13.12 0.00 -1.26 -2.86 105.19 115.55 1wb1 n GLY 161 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1wb1 n GLY 161 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wb1 n VAL 162 N 0.28 1.19 -0.02 1.61 3.14 -1.15 -0.74 118.33 122.64 1wb1 n VAL 162 Ca 0.00 0.38 -0.01 0.00 -2.96 0.00 0.00 64.34 61.75 1wb1 n VAL 162 Cb 0.01 -1.38 -0.00 0.00 -1.06 0.00 0.00 33.84 31.41 1wb1 n VAL 162 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1wb1 h ASP 163 N 0.00 0.00 -1.54 6.55 -0.00 -1.81 -3.22 116.42 116.40 1wb1 h ASP 163 Ca 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 57.03 57.48 1wb1 h ASP 163 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.43 1wb1 h ASP 163 CO 0.00 0.25 1.34 -0.08 -0.00 0.00 0.00 179.24 180.74 1wb1 h GLU 164 N -0.34 0.00 0.20 0.28 4.81 -1.31 2.04 114.58 120.26 1wb1 h GLU 164 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1wb1 h GLU 164 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1wb1 h GLU 164 CO 0.00 0.00 -0.10 1.25 -0.73 0.00 0.00 179.01 179.43 1wb1 h LEU 165 N 0.00 -0.23 -0.86 1.64 5.85 -1.40 -2.99 115.31 117.32 1wb1 h LEU 165 Ca 0.73 -0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.44 1wb1 h LEU 165 Cb 3.40 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 44.34 1wb1 h LEU 165 CO -0.01 0.30 -0.29 0.29 -0.34 0.00 0.00 178.44 178.39 1wb1 n LYS 166 N -4.94 -0.15 -0.15 1.25 5.02 0.69 0.60 118.16 120.47 1wb1 n LYS 166 Ca -0.05 1.34 -0.08 0.00 -2.02 0.00 0.00 58.31 57.49 1wb1 n LYS 166 Cb 0.19 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1wb1 n LYS 166 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1wb1 h ASN 167 N 0.00 0.56 -0.39 4.39 4.21 -1.54 -1.52 115.58 121.29 1wb1 h ASN 167 Ca 0.35 -0.12 0.03 0.00 1.21 0.00 0.00 56.30 57.77 1wb1 h ASN 167 Cb 0.56 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.58 1wb1 h ASN 167 CO -0.87 0.51 0.18 0.25 -1.29 0.00 0.00 177.43 176.21 1wb1 h LEU 168 N 0.56 0.25 -1.91 1.61 5.85 0.32 1.16 115.31 123.15 1wb1 h LEU 168 Ca 0.15 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.04 1wb1 h LEU 168 Cb 0.10 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1wb1 h LEU 168 CO -0.02 0.19 0.53 0.40 -0.34 0.00 0.00 178.44 179.19 1wb1 h ILE 169 N 0.37 0.36 0.01 4.05 2.04 0.57 -0.48 117.51 124.44 1wb1 h ILE 169 Ca 0.17 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.71 1wb1 h ILE 169 Cb 0.09 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1wb1 h ILE 169 CO -0.13 0.00 -1.76 -0.38 0.00 0.00 0.00 178.15 175.88 1wb1 n ILE 170 N -3.73 1.56 -0.29 -0.67 5.41 0.95 -3.51 119.36 119.08 1wb1 n ILE 170 Ca 0.10 -0.22 0.28 0.00 1.00 0.00 0.00 62.75 63.91 1wb1 n ILE 170 Cb 0.73 -1.94 0.63 0.00 -0.71 0.00 0.00 39.64 38.35 1wb1 n ILE 170 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1wb1 h THR 171 N -0.84 0.50 0.00 1.39 2.02 0.22 -1.81 112.91 114.38 1wb1 h THR 171 Ca -0.47 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1wb1 h THR 171 Cb 1.50 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1wb1 h THR 171 CO -0.24 0.03 0.00 0.41 0.37 0.00 0.00 175.52 176.10 1wb1 n THR 172 N -4.40 0.00 -0.51 3.16 -1.04 -0.29 -3.31 114.28 107.90 1wb1 n THR 172 Ca 0.24 1.01 0.43 0.00 -2.04 0.00 0.00 64.05 63.69 1wb1 n THR 172 Cb 1.00 -1.96 0.77 0.00 -1.82 0.00 0.00 70.33 68.33 1wb1 n THR 172 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wb1 h LEU 173 N 0.00 0.03 0.00 -4.42 3.38 -1.50 1.66 115.31 114.46 1wb1 h LEU 173 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wb1 h LEU 173 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1wb1 h LEU 173 CO 0.00 -0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.11 1wb1 n ASN 174 N -4.12 0.00 -0.08 -0.43 4.13 -0.72 -2.22 115.26 111.83 1wb1 n ASN 174 Ca 0.35 0.41 -0.08 0.00 1.68 0.00 0.00 54.58 56.93 1wb1 n ASN 174 Cb 1.60 -0.45 -0.11 0.00 -1.54 0.00 0.00 39.78 39.28 1wb1 n ASN 174 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1wb1 n ASN 175 N -1.45 1.60 -4.56 6.41 5.03 0.56 -5.02 115.26 117.82 1wb1 n ASN 175 Ca 0.04 -0.02 -0.36 0.00 0.87 0.00 0.00 54.58 55.12 1wb1 n ASN 175 Cb 0.16 0.64 0.08 0.00 -1.02 0.00 0.00 39.78 39.65 1wb1 n ASN 175 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wb1 n ALA 176 N -2.64 -0.70 -3.31 5.41 0.00 -0.85 -4.93 120.51 113.49 1wb1 n ALA 176 Ca -0.26 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 1wb1 n ALA 176 Cb 0.95 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1wb1 n ALA 176 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wb1 n GLU 177 N -1.55 3.23 -1.82 0.00 2.13 -1.26 -5.01 120.64 116.37 1wb1 n GLU 177 Ca 0.12 -4.61 -0.43 0.00 0.66 0.00 0.00 57.16 52.90 1wb1 n GLU 177 Cb 0.50 -2.37 -0.03 0.00 0.27 0.00 0.00 31.44 29.81 1wb1 n GLU 177 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1wb1 s ILE 178 N -2.44 3.27 -0.37 6.31 -1.09 -1.26 -4.95 121.20 120.67 1wb1 s ILE 178 Ca 0.35 0.31 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1wb1 s ILE 178 Cb 0.08 -3.27 0.14 0.00 -1.58 0.00 0.00 42.46 37.83 1wb1 s ILE 178 CO 0.01 -0.11 0.22 -0.63 -1.23 0.00 0.00 174.94 173.20 1wb1 s ILE 179 N 5.89 0.48 0.18 2.92 -1.09 -1.26 -5.11 121.20 123.22 1wb1 s ILE 179 Ca 0.86 -1.94 -0.31 0.00 -2.23 0.00 0.00 60.65 57.03 1wb1 s ILE 179 Cb -0.33 -1.35 -0.10 0.00 -1.58 0.00 0.00 42.46 39.10 1wb1 s ILE 179 CO 0.35 -0.96 1.50 -0.13 -1.23 0.00 0.00 174.94 174.47 1wb1 s ARG 180 N 0.88 4.25 -0.61 2.79 1.81 -1.26 -4.90 118.95 121.89 1wb1 s ARG 180 Ca 0.18 2.30 -0.27 0.00 -1.72 0.00 0.00 55.73 56.22 1wb1 s ARG 180 Cb -0.23 -3.15 0.03 0.00 -0.45 0.00 0.00 34.95 31.15 1wb1 s ARG 180 CO 0.01 -0.53 1.16 1.21 -0.68 0.00 0.00 175.30 176.48 1wb1 s ASN 181 N 0.90 6.36 -0.15 0.23 2.47 -1.26 -4.86 114.94 118.63 1wb1 s ASN 181 Ca 0.66 -0.12 0.10 0.00 0.42 0.00 0.00 52.86 53.92 1wb1 s ASN 181 Cb -0.42 -2.53 -0.16 0.00 -1.45 0.00 0.00 41.25 36.68 1wb1 s ASN 181 CO 0.35 -1.52 -0.01 1.07 -3.72 0.00 0.00 177.10 173.27 1wb1 n THR 182 N 6.51 1.00 -0.08 -5.21 5.66 -1.26 -2.37 114.28 118.53 1wb1 n THR 182 Ca 0.06 -0.55 -0.07 0.00 -3.05 0.00 0.00 64.05 60.44 1wb1 n THR 182 Cb 0.49 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1wb1 n THR 182 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1wb1 h GLU 183 N 0.00 0.22 -5.84 1.09 3.07 -1.92 -3.26 114.58 107.94 1wb1 h GLU 183 Ca -0.40 -0.01 -0.40 0.00 -0.50 0.00 0.00 59.36 58.05 1wb1 h GLU 183 Cb 1.82 -0.05 0.21 0.00 -0.84 0.00 0.00 28.75 29.89 1wb1 h GLU 183 CO -0.00 0.15 -2.19 -1.13 -1.40 0.00 0.00 179.01 174.43 1wb1 n SER 184 N -5.04 -2.80 -3.77 1.42 3.41 -1.26 -4.88 113.62 100.69 1wb1 n SER 184 Ca -0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1wb1 n SER 184 Cb 0.11 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1wb1 n SER 184 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wb1 n TYR 185 N -3.44 -0.42 -4.05 7.33 -0.00 -1.26 -4.21 117.16 111.10 1wb1 n TYR 185 Ca -0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.56 1wb1 n TYR 185 Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.81 1wb1 n TYR 185 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 1wb1 s PHE 186 N 0.00 3.29 -0.08 -3.48 5.36 -1.26 -2.75 117.98 119.06 1wb1 s PHE 186 Ca 0.00 -2.31 0.01 0.00 -0.96 0.00 0.00 56.93 53.67 1wb1 s PHE 186 Cb 0.00 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1wb1 s PHE 186 CO 0.00 -0.88 -0.09 0.21 -1.46 0.00 0.00 175.22 173.00 1wb1 s LYS 187 N 1.11 2.82 -0.30 10.12 2.20 0.15 -1.40 119.74 134.43 1wb1 s LYS 187 Ca -0.08 -0.59 -0.08 0.00 -0.36 0.00 0.00 55.97 54.86 1wb1 s LYS 187 Cb -0.20 -2.57 0.17 0.00 -1.51 0.00 0.00 37.83 33.72 1wb1 s LYS 187 CO -0.05 0.58 0.76 1.41 -0.36 0.00 0.00 175.35 177.70 1wb1 s MET 188 N -0.60 0.45 0.53 4.03 1.75 -0.66 -2.30 119.30 122.50 1wb1 s MET 188 Ca 0.09 0.92 -0.17 0.00 -1.25 0.00 0.00 55.69 55.27 1wb1 s MET 188 Cb -0.12 0.53 -0.07 0.00 2.84 0.00 0.00 34.83 38.01 1wb1 s MET 188 CO 0.02 -0.37 1.01 -1.25 -0.65 0.00 0.00 175.02 173.78 1wb1 s PRO 189 N 2.82 3.76 -0.15 4.11 0.04 -1.26 0.15 135.00 144.47 1wb1 s PRO 189 Ca 0.07 1.11 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 1wb1 s PRO 189 Cb -0.12 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1wb1 s PRO 189 CO -0.18 -0.43 -0.07 -0.51 0.04 0.00 0.00 177.00 175.85 1wb1 s LEU 190 N -4.03 3.02 0.00 -3.56 1.43 -1.26 -3.78 118.68 110.49 1wb1 s LEU 190 Ca 0.62 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1wb1 s LEU 190 Cb -0.13 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1wb1 s LEU 190 CO 0.29 0.15 0.22 -0.90 0.23 0.00 0.00 176.35 176.35 1wb1 n ASP 191 N 3.66 0.41 -3.65 2.29 5.68 -0.04 -4.86 116.55 120.05 1wb1 n ASP 191 Ca -0.18 -0.71 -0.06 0.00 -0.50 0.00 0.00 54.79 53.34 1wb1 n ASP 191 Cb 0.52 0.69 -0.07 0.00 -1.14 0.00 0.00 41.12 41.13 1wb1 n ASP 191 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1wb1 s HIS 192 N -0.86 -1.05 0.10 2.11 3.76 -1.23 -5.00 115.29 113.12 1wb1 s HIS 192 Ca 0.01 2.01 0.00 0.00 -0.15 0.00 0.00 55.06 56.94 1wb1 s HIS 192 Cb 0.01 0.60 -0.04 0.00 1.11 0.00 0.00 32.58 34.26 1wb1 s HIS 192 CO 0.06 -0.53 -0.03 0.00 -0.85 0.00 0.00 174.74 173.39 1wb1 s ALA 193 N 1.97 0.86 0.07 -1.40 0.00 -1.26 -0.32 121.76 121.68 1wb1 s ALA 193 Ca -0.08 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.26 1wb1 s ALA 193 Cb -0.08 0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.48 1wb1 s ALA 193 CO -0.18 -0.33 0.73 -0.59 0.00 0.00 0.00 175.76 175.39 1wb1 s PHE 194 N -3.79 -0.48 -0.03 0.00 -0.12 0.17 -4.98 117.98 108.74 1wb1 s PHE 194 Ca 0.14 0.38 -0.02 0.00 -0.05 0.00 0.00 56.93 57.38 1wb1 s PHE 194 Cb 0.07 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1wb1 s PHE 194 CO -0.04 -0.69 0.12 -1.25 -0.05 0.00 0.00 175.22 173.30 1wb1 s PRO 195 N -3.14 3.25 -0.48 1.99 0.04 -1.26 0.18 135.00 135.58 1wb1 s PRO 195 Ca 0.01 -0.36 -0.11 0.00 0.04 0.00 0.00 61.00 60.58 1wb1 s PRO 195 Cb -0.01 -2.99 0.11 0.00 0.04 0.00 0.00 34.50 31.65 1wb1 s PRO 195 CO -0.09 0.69 0.37 0.42 0.04 0.00 0.00 177.00 178.43 1wb1 s ILE 196 N -1.18 4.56 0.00 0.56 1.09 -0.91 -4.91 121.20 120.41 1wb1 s ILE 196 Ca 0.22 -1.58 0.00 0.00 -1.10 0.00 0.00 60.65 58.19 1wb1 s ILE 196 Cb -0.12 -3.92 0.00 0.00 -1.06 0.00 0.00 42.46 37.36 1wb1 s ILE 196 CO 0.13 -0.74 0.00 0.29 -0.10 0.00 0.00 174.94 174.52 1wb1 n LYS 197 N 5.02 0.00 -1.17 2.79 4.01 -1.26 -1.20 118.16 126.35 1wb1 n LYS 197 Ca -0.10 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.67 1wb1 n LYS 197 Cb 0.41 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.89 1wb1 n LYS 197 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wb1 n GLY 198 N -0.94 0.67 0.00 0.72 0.00 -1.26 -4.89 105.19 99.49 1wb1 n GLY 198 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1wb1 n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wb1 n ALA 199 N 0.17 1.96 0.00 4.61 0.00 -0.34 -5.14 120.51 121.77 1wb1 n ALA 199 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1wb1 n ALA 199 Cb 0.85 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.65 1wb1 n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wb1 n GLY 200 N 3.05 -0.58 2.88 0.00 0.00 -1.10 -4.86 105.19 104.59 1wb1 n GLY 200 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1wb1 n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wb1 s THR 201 N -3.27 -0.02 -0.17 2.61 2.01 -0.51 -2.14 115.64 114.16 1wb1 s THR 201 Ca 0.00 0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 1wb1 s THR 201 Cb 0.00 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 1wb1 s THR 201 CO 0.00 0.03 0.06 -0.69 -0.69 0.00 0.00 174.62 173.33 1wb1 s VAL 202 N 0.39 4.82 0.22 3.82 1.01 0.48 -2.15 120.40 128.98 1wb1 s VAL 202 Ca -0.03 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 61.98 1wb1 s VAL 202 Cb -0.04 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1wb1 s VAL 202 CO -0.01 0.49 -0.10 0.68 0.00 0.00 0.00 175.10 176.16 1wb1 s VAL 203 N 0.13 1.51 0.02 2.92 -7.23 -0.89 0.41 120.40 117.27 1wb1 s VAL 203 Ca 0.05 -2.14 -0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1wb1 s VAL 203 Cb -0.12 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 1wb1 s VAL 203 CO 0.01 -0.52 -0.02 0.42 -0.31 0.00 0.00 175.10 174.68 1wb1 s THR 204 N -3.11 0.11 0.00 5.32 -4.23 0.57 -0.44 115.64 113.86 1wb1 s THR 204 Ca 0.24 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1wb1 s THR 204 Cb 0.02 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.52 1wb1 s THR 204 CO 0.07 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1wb1 n GLY 205 N 1.52 2.44 3.15 3.99 0.00 -1.22 -0.86 105.19 114.20 1wb1 n GLY 205 Ca -0.23 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.48 1wb1 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wb1 s THR 206 N -0.86 -0.96 -0.62 2.61 2.01 -1.25 -2.64 115.64 113.94 1wb1 s THR 206 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1wb1 s THR 206 Cb 0.00 -0.99 -0.12 0.00 0.01 0.00 0.00 72.50 71.40 1wb1 s THR 206 CO 0.00 0.00 2.47 -0.38 -0.69 0.00 0.00 174.62 176.02 1wb1 n ILE 207 N 5.43 -0.01 0.33 1.82 5.41 -1.06 -4.40 119.36 126.88 1wb1 n ILE 207 Ca -0.00 -0.47 -0.14 0.00 1.00 0.00 0.00 62.75 63.13 1wb1 n ILE 207 Cb 0.52 -1.94 -0.07 0.00 -0.71 0.00 0.00 39.64 37.44 1wb1 n ILE 207 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1wb1 h ASN 208 N 16.18 -0.85 -4.92 4.38 -0.26 -1.82 0.39 115.58 128.68 1wb1 h ASN 208 Ca -0.19 0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.49 1wb1 h ASN 208 Cb 1.29 0.24 -0.20 0.00 -1.06 0.00 0.00 38.32 38.59 1wb1 h ASN 208 CO 1.20 -0.55 -0.15 -1.59 -1.06 0.00 0.00 177.43 175.28 1wb1 s LYS 209 N -5.06 0.76 0.00 0.81 -2.85 -1.20 -4.39 119.74 107.81 1wb1 s LYS 209 Ca -0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 1wb1 s LYS 209 Cb 0.02 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1wb1 s LYS 209 CO 0.42 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 176.07 1wb1 n GLY 210 N 1.28 1.40 3.28 0.59 0.00 -1.00 0.29 105.19 111.04 1wb1 n GLY 210 Ca -0.20 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.41 1wb1 n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wb1 s ILE 211 N -1.48 1.67 -0.01 -0.61 1.01 -1.26 -2.83 121.20 117.69 1wb1 s ILE 211 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 59.05 1wb1 s ILE 211 Cb 0.00 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.90 1wb1 s ILE 211 CO 0.00 -0.14 -0.02 0.68 0.00 0.00 0.00 174.94 175.46 1wb1 s VAL 212 N -1.38 0.23 0.23 2.92 -7.23 0.84 -4.86 120.40 111.14 1wb1 s VAL 212 Ca 0.08 -0.07 0.07 0.00 -1.81 0.00 0.00 61.98 60.24 1wb1 s VAL 212 Cb -0.09 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.56 1wb1 s VAL 212 CO 0.04 0.09 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.29 1wb1 s LYS 213 N 0.26 1.39 0.21 4.82 1.02 -1.26 0.59 119.74 126.76 1wb1 s LYS 213 Ca -0.02 -1.65 -0.30 0.00 0.02 0.00 0.00 55.97 54.01 1wb1 s LYS 213 Cb -0.05 -1.06 -0.09 0.00 -0.52 0.00 0.00 37.83 36.11 1wb1 s LYS 213 CO -0.01 0.11 1.25 0.08 -0.92 0.00 0.00 175.35 175.87 1wb1 s VAL 214 N -3.04 3.31 0.00 3.17 1.01 -0.77 -2.97 120.40 121.11 1wb1 s VAL 214 Ca 0.25 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1wb1 s VAL 214 Cb 0.01 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1wb1 s VAL 214 CO 0.08 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1wb1 n GLY 215 N 2.07 2.78 2.07 4.51 0.00 0.94 -5.02 105.19 112.54 1wb1 n GLY 215 Ca 0.04 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 1wb1 n GLY 215 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wb1 n ASP 216 N 0.76 -0.44 -4.28 1.61 9.92 -1.16 -4.00 116.55 118.97 1wb1 n ASP 216 Ca 0.00 0.69 -0.34 0.00 -0.53 0.00 0.00 54.79 54.60 1wb1 n ASP 216 Cb 0.00 -0.56 -0.14 0.00 -0.64 0.00 0.00 41.12 39.77 1wb1 n ASP 216 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1wb1 s GLU 217 N -0.35 3.30 0.00 -1.24 2.12 -1.26 -1.51 118.70 119.75 1wb1 s GLU 217 Ca 0.45 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1wb1 s GLU 217 Cb -0.64 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 30.87 1wb1 s GLU 217 CO 0.34 -0.15 0.00 1.28 -0.54 0.00 0.00 175.26 176.19 1wb1 n LEU 218 N 4.61 0.00 -3.66 2.70 4.32 -0.06 -4.64 117.00 120.28 1wb1 n LEU 218 Ca -0.19 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.65 1wb1 n LEU 218 Cb 0.51 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.23 1wb1 n LEU 218 CO 0.28 0.00 0.20 -1.59 -1.22 0.00 0.00 177.39 175.07 1wb1 s LYS 219 N 1.57 0.82 0.24 3.23 -2.85 -0.49 -0.06 119.74 122.20 1wb1 s LYS 219 Ca 0.00 0.06 -0.25 0.00 -1.00 0.00 0.00 55.97 54.78 1wb1 s LYS 219 Cb 0.00 0.38 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 1wb1 s LYS 219 CO 0.00 -0.23 0.85 0.14 0.10 0.00 0.00 175.35 176.21 1wb1 s VAL 220 N -1.14 4.29 -0.07 1.79 -7.23 -1.13 -0.84 120.40 116.08 1wb1 s VAL 220 Ca -0.11 1.75 -0.05 0.00 -1.81 0.00 0.00 61.98 61.75 1wb1 s VAL 220 Cb -0.03 -4.09 -0.02 0.00 0.56 0.00 0.00 36.38 32.80 1wb1 s VAL 220 CO 0.06 0.34 -0.10 -0.11 -0.31 0.00 0.00 175.10 174.99 1wb1 n LEU 221 N 1.10 0.87 -0.12 1.32 -0.00 -0.76 -3.28 117.00 116.13 1wb1 n LEU 221 Ca -0.02 0.39 0.10 0.00 -0.00 0.00 0.00 56.01 56.49 1wb1 n LEU 221 Cb 0.49 -0.67 0.19 0.00 -0.00 0.00 0.00 43.42 43.43 1wb1 n LEU 221 CO 0.46 -0.48 0.36 -2.65 -0.00 0.00 0.00 177.39 175.08 1wb1 n PRO 222 N -3.39 -0.02 -3.98 1.96 -0.02 -1.26 -2.14 135.00 126.15 1wb1 n PRO 222 Ca -0.04 0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 1wb1 n PRO 222 Cb 0.14 -0.88 -0.16 0.00 -0.02 0.00 0.00 33.50 32.59 1wb1 n PRO 222 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wb1 s ILE 223 N -4.68 1.57 0.08 4.25 -1.09 -1.26 -5.11 121.20 114.96 1wb1 s ILE 223 Ca -0.04 -0.97 -0.31 0.00 -2.23 0.00 0.00 60.65 57.11 1wb1 s ILE 223 Cb 0.12 -1.66 -0.06 0.00 -1.58 0.00 0.00 42.46 39.27 1wb1 s ILE 223 CO 0.28 0.15 1.23 0.21 -1.23 0.00 0.00 174.94 175.58 1wb1 s ASN 224 N 1.43 7.03 -0.30 3.58 3.04 -0.91 -4.48 114.94 124.33 1wb1 s ASN 224 Ca -0.01 2.09 -0.08 0.00 0.04 0.00 0.00 52.86 54.90 1wb1 s ASN 224 Cb -0.16 -2.58 0.18 0.00 -1.54 0.00 0.00 41.25 37.15 1wb1 s ASN 224 CO -0.08 -0.50 0.84 -0.04 -3.04 0.00 0.00 177.10 174.29 1wb1 s MET 225 N 0.97 0.37 0.91 0.43 -1.94 -1.20 -4.99 119.30 113.84 1wb1 s MET 225 Ca 0.59 0.67 -0.11 0.00 -1.71 0.00 0.00 55.69 55.14 1wb1 s MET 225 Cb -0.31 0.38 0.14 0.00 2.01 0.00 0.00 34.83 37.05 1wb1 s MET 225 CO 0.30 -0.37 1.10 -1.54 -0.01 0.00 0.00 175.02 174.50 1wb1 s SER 226 N 2.88 3.20 -0.01 3.03 1.04 -1.26 -2.83 113.70 119.76 1wb1 s SER 226 Ca 0.08 1.82 -0.28 0.00 0.48 0.00 0.00 55.95 58.05 1wb1 s SER 226 Cb -0.12 -2.42 0.09 0.00 0.10 0.00 0.00 66.02 63.67 1wb1 s SER 226 CO -0.16 -2.86 0.79 0.42 0.98 0.00 0.00 173.24 172.41 1wb1 s THR 227 N -2.76 0.00 -0.08 2.02 -4.23 0.92 -4.76 115.64 106.74 1wb1 s THR 227 Ca 0.65 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.18 1wb1 s THR 227 Cb -0.20 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 1wb1 s THR 227 CO 0.58 0.00 -0.16 -0.75 -0.54 0.00 0.00 174.62 173.75 1wb1 s LYS 228 N -2.44 2.87 -0.67 3.99 2.20 -1.02 -0.88 119.74 123.79 1wb1 s LYS 228 Ca -0.01 -0.74 -0.27 0.00 -0.36 0.00 0.00 55.97 54.59 1wb1 s LYS 228 Cb -0.01 -2.43 0.02 0.00 -1.51 0.00 0.00 37.83 33.90 1wb1 s LYS 228 CO -0.04 0.40 1.39 0.08 -0.36 0.00 0.00 175.35 176.82 1wb1 s VAL 229 N -0.16 3.70 0.07 4.02 1.01 -0.57 -2.12 120.40 126.35 1wb1 s VAL 229 Ca -0.01 0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 1wb1 s VAL 229 Cb -0.14 -4.66 -0.28 0.00 0.00 0.00 0.00 36.38 31.30 1wb1 s VAL 229 CO 0.03 -1.54 1.14 -0.09 0.00 0.00 0.00 175.10 174.64 1wb1 h ARG 230 N 10.96 0.36 -2.90 2.72 1.12 -0.79 0.27 114.38 126.12 1wb1 h ARG 230 Ca -0.27 -0.57 -0.11 0.00 -1.11 0.00 0.00 59.98 57.92 1wb1 h ARG 230 Cb 1.08 0.21 -0.20 0.00 -0.01 0.00 0.00 29.97 31.05 1wb1 h ARG 230 CO 1.24 1.26 -0.20 0.45 -3.11 0.00 0.00 179.97 179.61 1wb1 s SER 231 N -7.24 -0.26 -0.05 -3.80 0.15 0.28 -4.78 113.70 98.00 1wb1 s SER 231 Ca -0.05 0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.76 1wb1 s SER 231 Cb 0.07 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1wb1 s SER 231 CO 0.90 -0.48 -0.02 -0.63 1.20 0.00 0.00 173.24 174.20 1wb1 s ILE 232 N -1.39 0.41 -0.01 6.45 1.01 -1.26 -0.76 121.20 125.66 1wb1 s ILE 232 Ca -0.13 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1wb1 s ILE 232 Cb -0.04 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1wb1 s ILE 232 CO 0.05 0.23 -0.20 -1.58 0.00 0.00 0.00 174.94 173.44 1wb1 s GLN 233 N 1.37 2.21 -0.17 2.79 0.74 -0.43 0.37 119.66 126.54 1wb1 s GLN 233 Ca -0.04 -0.88 -0.06 0.00 0.05 0.00 0.00 55.36 54.43 1wb1 s GLN 233 Cb -0.13 -2.19 0.08 0.00 1.10 0.00 0.00 33.01 31.86 1wb1 s GLN 233 CO -0.02 0.57 0.35 -0.47 -0.55 0.00 0.00 175.29 175.17 1wb1 s TYR 234 N -0.76 -0.62 -0.68 1.67 5.04 -0.90 -1.82 117.35 119.28 1wb1 s TYR 234 Ca 0.12 1.26 -0.04 0.00 -2.44 0.00 0.00 57.07 55.97 1wb1 s TYR 234 Cb -0.10 0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.37 1wb1 s TYR 234 CO 0.02 -0.41 0.67 0.34 -1.34 0.00 0.00 175.55 174.82 1wb1 n PHE 235 N 5.28 -3.00 -3.17 4.97 -0.00 -1.26 -2.95 117.46 117.33 1wb1 n PHE 235 Ca -0.09 1.17 -0.21 0.00 -0.00 0.00 0.00 57.45 58.32 1wb1 n PHE 235 Cb 0.50 -3.94 -0.04 0.00 -0.00 0.00 0.00 39.48 36.00 1wb1 n PHE 235 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1wb1 n LYS 236 N -1.53 -1.36 -3.66 -4.13 5.02 -1.26 -4.84 118.16 106.41 1wb1 n LYS 236 Ca -0.01 0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 1wb1 n LYS 236 Cb 0.51 -3.45 -0.08 0.00 -0.02 0.00 0.00 35.03 31.99 1wb1 n LYS 236 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wb1 s GLU 237 N -4.99 0.56 1.03 1.97 0.41 -1.15 -5.16 118.70 111.37 1wb1 s GLU 237 Ca 0.41 1.13 -0.12 0.00 -0.41 0.00 0.00 54.97 55.98 1wb1 s GLU 237 Cb -0.24 0.23 0.21 0.00 -1.78 0.00 0.00 34.13 32.55 1wb1 s GLU 237 CO 0.51 -0.17 1.07 0.45 -0.49 0.00 0.00 175.26 176.63 1wb1 s SER 238 N 1.88 2.19 0.28 -0.19 0.15 -1.26 -2.11 113.70 114.63 1wb1 s SER 238 Ca -0.08 1.59 -0.03 0.00 0.70 0.00 0.00 55.95 58.12 1wb1 s SER 238 Cb -0.08 -2.26 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 1wb1 s SER 238 CO -0.17 -3.46 0.42 1.33 1.20 0.00 0.00 173.24 172.56 1wb1 n VAL 239 N -4.43 0.00 -0.04 4.45 0.24 0.16 -4.78 118.33 113.93 1wb1 n VAL 239 Ca 0.06 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 1wb1 n VAL 239 Cb 0.54 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1wb1 n VAL 239 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1wb1 n MET 240 N -0.44 4.30 -3.56 7.34 2.81 -1.26 -4.19 117.12 122.12 1wb1 n MET 240 Ca -0.01 -0.06 -0.01 0.00 -1.81 0.00 0.00 57.70 55.81 1wb1 n MET 240 Cb 0.46 -0.46 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 1wb1 n MET 240 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1wb1 s GLU 241 N -0.63 0.37 0.07 0.03 2.12 -1.25 -1.84 118.70 117.55 1wb1 s GLU 241 Ca 0.00 0.75 0.08 0.00 0.36 0.00 0.00 54.97 56.16 1wb1 s GLU 241 Cb 0.00 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 1wb1 s GLU 241 CO 0.00 -0.10 -0.21 0.00 -0.54 0.00 0.00 175.26 174.42 1wb1 s ALA 242 N 1.83 2.53 0.00 6.30 0.00 0.20 -4.94 121.76 127.67 1wb1 s ALA 242 Ca -0.07 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1wb1 s ALA 242 Cb -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1wb1 s ALA 242 CO -0.16 0.57 0.00 1.63 0.00 0.00 0.00 175.76 177.79 1wb1 n LYS 243 N 1.38 2.59 -2.87 0.00 4.01 -1.26 -0.12 118.16 121.89 1wb1 n LYS 243 Ca -0.16 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.29 1wb1 n LYS 243 Cb 0.52 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.98 1wb1 n LYS 243 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wb1 s ALA 244 N -2.00 3.15 0.00 7.82 0.00 -1.13 -3.83 121.76 125.77 1wb1 s ALA 244 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1wb1 s ALA 244 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1wb1 s ALA 244 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1wb1 n GLY 245 N -0.19 3.07 3.69 0.00 0.00 0.14 -4.87 105.19 107.03 1wb1 n GLY 245 Ca 0.05 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1wb1 n GLY 245 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wb1 s ASP 246 N 0.30 6.84 -0.15 1.61 1.01 -1.25 -4.72 116.67 120.31 1wb1 s ASP 246 Ca 0.00 2.16 -0.20 0.00 0.71 0.00 0.00 52.55 55.22 1wb1 s ASP 246 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1wb1 s ASP 246 CO 0.00 -0.71 0.57 -0.60 0.21 0.00 0.00 175.17 174.64 1wb1 s ARG 247 N 2.19 4.28 0.00 8.23 3.52 -1.26 -2.56 118.95 133.34 1wb1 s ARG 247 Ca 0.64 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 1wb1 s ARG 247 Cb -0.32 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 1wb1 s ARG 247 CO 0.27 -0.05 0.00 1.33 -0.81 0.00 0.00 175.30 176.04 1wb1 n VAL 248 N 4.20 0.00 -3.28 7.11 0.24 -1.08 -4.62 118.33 120.89 1wb1 n VAL 248 Ca -0.04 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.23 1wb1 n VAL 248 Cb 0.51 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 1wb1 n VAL 248 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wb1 s GLY 249 N 0.00 -0.68 0.19 7.63 0.00 -0.76 -3.42 107.32 110.28 1wb1 s GLY 249 Ca 0.00 1.41 0.05 0.00 0.00 0.00 0.00 44.72 46.17 1wb1 s GLY 249 CO 0.00 2.98 0.23 1.06 0.00 0.00 0.00 173.10 177.37 1wb1 s MET 250 N 2.70 3.14 -0.39 2.90 -1.94 0.42 -1.31 119.30 124.82 1wb1 s MET 250 Ca 0.15 -0.82 0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1wb1 s MET 250 Cb -0.15 -2.76 0.11 0.00 2.01 0.00 0.00 34.83 34.05 1wb1 s MET 250 CO -0.18 0.47 0.15 0.00 -0.01 0.00 0.00 175.02 175.44 1wb1 s ALA 251 N -1.86 2.55 0.32 3.03 0.00 0.06 -2.10 121.76 123.75 1wb1 s ALA 251 Ca 0.33 -2.53 0.10 0.00 0.00 0.00 0.00 51.96 49.86 1wb1 s ALA 251 Cb -0.10 -1.92 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 1wb1 s ALA 251 CO 0.26 -1.83 -0.13 0.96 0.00 0.00 0.00 175.76 175.01 1wb1 s ILE 252 N 0.68 2.35 -0.04 0.00 -0.00 -0.91 -0.03 121.20 123.24 1wb1 s ILE 252 Ca 0.13 -2.28 0.02 0.00 -0.00 0.00 0.00 60.65 58.52 1wb1 s ILE 252 Cb -0.21 -2.51 0.01 0.00 -0.00 0.00 0.00 42.46 39.75 1wb1 s ILE 252 CO -0.08 -0.28 -0.07 0.00 -0.00 0.00 0.00 174.94 174.50 1wb1 s GLN 253 N -3.57 1.03 0.00 0.37 -2.07 -0.90 -1.42 119.66 113.10 1wb1 s GLN 253 Ca 0.32 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.62 1wb1 s GLN 253 Cb -0.01 -0.95 0.00 0.00 -1.09 0.00 0.00 33.01 30.96 1wb1 s GLN 253 CO 0.16 0.01 0.00 0.41 -1.32 0.00 0.00 175.29 174.55 1wb1 n GLY 254 N 3.71 0.73 0.00 2.60 0.00 -1.26 -2.43 105.19 108.53 1wb1 n GLY 254 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1wb1 n GLY 254 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wb1 n VAL 255 N 0.00 0.00 -2.34 1.61 3.14 -1.26 -4.67 118.33 114.81 1wb1 n VAL 255 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 1wb1 n VAL 255 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1wb1 n VAL 255 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1wb1 s ASP 256 N 0.00 5.98 0.00 6.55 1.01 -1.26 -4.70 116.67 124.25 1wb1 s ASP 256 Ca 0.00 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.28 1wb1 s ASP 256 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1wb1 s ASP 256 CO 0.00 -1.03 0.54 0.00 0.21 0.00 0.00 175.17 174.89 1wb1 n ALA 257 N -1.28 -0.01 -0.03 5.23 0.00 -1.26 -2.31 120.51 120.85 1wb1 n ALA 257 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1wb1 n ALA 257 Cb 0.52 0.20 0.05 0.00 0.00 0.00 0.00 19.45 20.22 1wb1 n ALA 257 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wb1 n LYS 258 N -1.02 -0.00 -0.93 0.00 2.85 -1.26 0.40 118.16 118.20 1wb1 n LYS 258 Ca 0.00 0.10 -0.19 0.00 -1.05 0.00 0.00 58.31 57.17 1wb1 n LYS 258 Cb 0.00 -0.18 0.12 0.00 -0.65 0.00 0.00 35.03 34.32 1wb1 n LYS 258 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wb1 n GLN 259 N -2.90 1.96 -4.01 -1.58 10.64 -0.98 -4.81 117.38 115.70 1wb1 n GLN 259 Ca 0.03 -2.22 -0.31 0.00 -1.83 0.00 0.00 57.00 52.66 1wb1 n GLN 259 Cb 0.11 -1.87 -0.15 0.00 -0.86 0.00 0.00 30.24 27.47 1wb1 n GLN 259 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1wb1 s ILE 260 N -2.56 1.97 -0.12 -0.39 -1.09 0.16 -4.94 121.20 114.24 1wb1 s ILE 260 Ca 0.42 -1.67 -0.11 0.00 -2.23 0.00 0.00 60.65 57.06 1wb1 s ILE 260 Cb 0.35 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.97 1wb1 s ILE 260 CO 0.07 -0.19 0.24 -0.31 -1.23 0.00 0.00 174.94 173.52 1wb1 s TYR 261 N 1.16 3.55 0.26 3.97 2.02 -1.26 -4.93 117.35 122.11 1wb1 s TYR 261 Ca -0.03 0.61 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 1wb1 s TYR 261 Cb -0.19 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.19 1wb1 s TYR 261 CO -0.07 0.48 0.51 -2.13 -1.57 0.00 0.00 175.55 172.78 1wb1 n ARG 262 N 2.72 0.01 -1.93 -0.62 0.63 -1.26 -4.89 116.66 111.33 1wb1 n ARG 262 Ca -0.15 0.37 -0.38 0.00 -0.92 0.00 0.00 57.85 56.76 1wb1 n ARG 262 Cb 0.53 -1.49 -0.01 0.00 0.45 0.00 0.00 32.46 31.94 1wb1 n ARG 262 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wb1 n GLY 263 N -0.94 5.12 0.00 5.14 0.00 -1.26 -4.82 105.19 108.43 1wb1 n GLY 263 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1wb1 n GLY 263 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wb1 n ILE 265 N 1.63 0.00 -3.13 -0.61 -5.35 -1.26 -4.62 119.36 106.02 1wb1 n ILE 265 Ca 0.61 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.70 1wb1 n ILE 265 Cb 0.28 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.13 1wb1 n ILE 265 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1wb1 s LEU 266 N 0.00 4.32 0.07 7.28 0.20 0.40 -1.82 118.68 129.12 1wb1 s LEU 266 Ca 0.00 1.10 0.02 0.00 0.69 0.00 0.00 54.13 55.94 1wb1 s LEU 266 Cb 0.00 -2.97 -0.03 0.00 -0.43 0.00 0.00 46.19 42.76 1wb1 s LEU 266 CO 0.00 -0.06 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.04 1wb1 s THR 267 N 0.61 0.59 1.23 3.68 2.01 -0.02 -1.66 115.64 122.10 1wb1 s THR 267 Ca 0.34 -1.51 -0.21 0.00 0.31 0.00 0.00 61.69 60.62 1wb1 s THR 267 Cb -0.17 -1.14 0.32 0.00 0.01 0.00 0.00 72.50 71.51 1wb1 s THR 267 CO 0.16 -0.64 0.79 -1.54 -0.69 0.00 0.00 174.62 172.71 1wb1 n SER 268 N 0.70 -3.50 0.41 3.53 3.41 -0.49 -1.40 113.62 116.28 1wb1 n SER 268 Ca -0.17 -0.83 -0.16 0.00 -0.26 0.00 0.00 58.87 57.44 1wb1 n SER 268 Cb 0.58 -0.86 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 1wb1 n SER 268 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wb1 h LYS 269 N 0.00 -1.02 -2.05 4.33 1.79 -1.92 -3.10 116.57 114.59 1wb1 h LYS 269 Ca -0.34 0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 1wb1 h LYS 269 Cb 1.14 0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1wb1 h LYS 269 CO 0.21 -0.68 -0.00 -0.40 -1.08 0.00 0.00 179.45 177.50 1wb1 n ASP 270 N -5.17 3.10 -4.67 0.86 5.75 -1.26 -4.89 116.55 110.27 1wb1 n ASP 270 Ca -0.13 -1.85 -0.45 0.00 -0.01 0.00 0.00 54.79 52.34 1wb1 n ASP 270 Cb 0.42 -0.68 -0.04 0.00 -1.03 0.00 0.00 41.12 39.79 1wb1 n ASP 270 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1wb1 n THR 271 N 1.83 0.23 0.05 2.12 5.66 -1.17 -4.82 114.28 118.18 1wb1 n THR 271 Ca 0.03 -0.06 -0.10 0.00 -3.05 0.00 0.00 64.05 60.87 1wb1 n THR 271 Cb 0.32 -1.55 -0.13 0.00 -1.55 0.00 0.00 70.33 67.42 1wb1 n THR 271 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1wb1 h LYS 272 N 5.55 0.08 -5.11 1.09 1.57 -1.92 -3.47 116.57 114.37 1wb1 h LYS 272 Ca -0.45 -0.14 -0.58 0.00 -1.87 0.00 0.00 60.65 57.61 1wb1 h LYS 272 Cb 1.26 0.05 0.09 0.00 0.08 0.00 0.00 32.23 33.71 1wb1 h LYS 272 CO 0.86 0.94 -0.41 1.28 -0.57 0.00 0.00 179.45 181.55 1wb1 n LEU 273 N -3.33 -0.97 -4.07 2.94 4.77 -1.26 -4.82 117.00 110.27 1wb1 n LEU 273 Ca -0.08 0.96 -0.22 0.00 -0.03 0.00 0.00 56.01 56.64 1wb1 n LEU 273 Cb 0.99 -0.81 -0.15 0.00 -2.33 0.00 0.00 43.42 41.12 1wb1 n LEU 273 CO 0.48 -2.46 -0.47 -1.10 -1.33 0.00 0.00 177.39 172.51 1wb1 s GLN 274 N -0.78 1.23 0.06 3.23 -0.21 -1.24 -4.90 119.66 117.06 1wb1 s GLN 274 Ca 0.56 -0.44 -0.27 0.00 0.02 0.00 0.00 55.36 55.23 1wb1 s GLN 274 Cb -0.82 -1.13 -0.05 0.00 1.00 0.00 0.00 33.01 32.01 1wb1 s GLN 274 CO 0.48 0.20 0.83 0.99 -2.12 0.00 0.00 175.29 175.68 1wb1 s THR 275 N -0.01 4.67 0.01 -0.19 2.01 -1.26 -1.54 115.64 119.34 1wb1 s THR 275 Ca -0.01 1.78 -0.09 0.00 0.31 0.00 0.00 61.69 63.69 1wb1 s THR 275 Cb -0.08 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.24 1wb1 s THR 275 CO 0.01 0.34 0.17 -0.69 -0.69 0.00 0.00 174.62 173.76 1wb1 s VAL 276 N 0.02 0.09 -0.00 3.82 1.01 0.30 -4.93 120.40 120.70 1wb1 s VAL 276 Ca 0.42 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1wb1 s VAL 276 Cb -0.21 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1wb1 s VAL 276 CO 0.25 -0.41 0.02 -0.67 0.00 0.00 0.00 175.10 174.29 1wb1 n ASP 277 N 1.17 4.40 -3.93 3.32 -0.08 -1.26 -0.83 116.55 119.34 1wb1 n ASP 277 Ca -0.21 -0.05 -0.29 0.00 -1.51 0.00 0.00 54.79 52.73 1wb1 n ASP 277 Cb 0.57 1.03 -0.16 0.00 2.34 0.00 0.00 41.12 44.90 1wb1 n ASP 277 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1wb1 s LYS 278 N -1.97 1.65 -0.02 -0.67 -0.14 -1.26 -2.02 119.74 115.30 1wb1 s LYS 278 Ca -0.00 -0.72 0.07 0.00 -1.36 0.00 0.00 55.97 53.95 1wb1 s LYS 278 Cb 0.01 -2.27 -0.02 0.00 -1.68 0.00 0.00 37.83 33.87 1wb1 s LYS 278 CO 0.03 -0.47 -0.22 0.42 -0.76 0.00 0.00 175.35 174.35 1wb1 s ILE 279 N 1.51 1.76 -0.18 2.17 1.01 0.04 -3.38 121.20 124.14 1wb1 s ILE 279 Ca -0.01 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1wb1 s ILE 279 Cb -0.16 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1wb1 s ILE 279 CO -0.08 0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 174.48 1wb1 s VAL 280 N -0.43 2.03 0.26 2.92 1.01 -0.33 0.13 120.40 125.99 1wb1 s VAL 280 Ca 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1wb1 s VAL 280 Cb -0.09 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1wb1 s VAL 280 CO -0.00 0.52 0.07 0.00 0.00 0.00 0.00 175.10 175.69 1wb1 s ALA 281 N 1.30 1.80 -0.24 5.51 0.00 -1.26 -1.74 121.76 127.13 1wb1 s ALA 281 Ca 0.05 -1.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.03 1wb1 s ALA 281 Cb -0.13 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 1wb1 s ALA 281 CO -0.13 -0.40 0.20 0.21 0.00 0.00 0.00 175.76 175.65 1wb1 s LYS 282 N -3.98 4.07 0.46 0.00 2.20 -0.72 -4.59 119.74 117.17 1wb1 s LYS 282 Ca 0.35 -0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 1wb1 s LYS 282 Cb 0.08 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1wb1 s LYS 282 CO 0.12 0.02 0.25 -0.89 -0.36 0.00 0.00 175.35 174.50 1wb1 n ILE 283 N 4.38 0.00 -3.16 5.43 2.08 -1.26 -2.57 119.36 124.25 1wb1 n ILE 283 Ca -0.14 -1.90 0.03 0.00 0.56 0.00 0.00 62.75 61.31 1wb1 n ILE 283 Cb 0.52 0.04 -0.01 0.00 -0.75 0.00 0.00 39.64 39.44 1wb1 n ILE 283 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1wb1 s LYS 284 N -3.81 0.55 0.18 0.38 1.02 -1.19 -4.31 119.74 112.55 1wb1 s LYS 284 Ca 0.19 0.64 -0.31 0.00 0.02 0.00 0.00 55.97 56.51 1wb1 s LYS 284 Cb -0.02 0.28 -0.10 0.00 -0.52 0.00 0.00 37.83 37.48 1wb1 s LYS 284 CO 0.12 -0.93 1.55 0.42 -0.92 0.00 0.00 175.35 175.60 1wb1 s ILE 285 N 2.81 2.63 -0.26 2.17 -1.09 -0.99 -3.82 121.20 122.65 1wb1 s ILE 285 Ca 0.13 0.46 -0.29 0.00 -2.23 0.00 0.00 60.65 58.72 1wb1 s ILE 285 Cb -0.12 -3.29 -0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1wb1 s ILE 285 CO -0.25 0.04 1.32 -0.44 -1.23 0.00 0.00 174.94 174.38 1wb1 s SER 286 N 1.04 6.71 0.00 3.58 0.01 -1.26 -2.12 113.70 121.66 1wb1 s SER 286 Ca 0.69 1.35 -0.00 0.00 1.31 0.00 0.00 55.95 59.29 1wb1 s SER 286 Cb -0.43 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.26 1wb1 s SER 286 CO 0.33 -1.02 0.20 0.47 0.41 0.00 0.00 173.24 173.62 1wb1 n ASP 287 N 7.46 -0.01 0.16 2.44 9.92 -1.26 0.17 116.55 135.42 1wb1 n ASP 287 Ca 0.15 0.20 0.15 0.00 -0.53 0.00 0.00 54.79 54.76 1wb1 n ASP 287 Cb 0.46 -0.09 0.48 0.00 -0.64 0.00 0.00 41.12 41.33 1wb1 n ASP 287 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1wb1 h ILE 288 N 0.00 0.07 -2.20 0.53 2.10 -1.91 -3.42 117.51 112.68 1wb1 h ILE 288 Ca 0.00 0.00 -0.56 0.00 1.08 0.00 0.00 64.86 65.39 1wb1 h ILE 288 Cb 0.00 0.32 0.01 0.00 -1.09 0.00 0.00 36.82 36.06 1wb1 h ILE 288 CO -0.01 0.00 1.35 0.12 -1.08 0.00 0.00 178.15 178.53 1wb1 s PHE 289 N -4.25 1.22 0.33 2.19 5.36 0.44 -4.92 117.98 118.35 1wb1 s PHE 289 Ca -0.02 -0.02 0.11 0.00 -0.96 0.00 0.00 56.93 56.03 1wb1 s PHE 289 Cb 0.09 -4.11 0.57 0.00 -0.34 0.00 0.00 43.02 39.23 1wb1 s PHE 289 CO 0.29 -4.92 1.74 0.87 -1.46 0.00 0.00 175.22 171.74 1wb1 h LYS 290 N 12.61 0.05 0.00 10.12 1.57 -1.86 -3.41 116.57 135.65 1wb1 h LYS 290 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1wb1 h LYS 290 Cb 1.24 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1wb1 h LYS 290 CO 0.95 0.49 0.00 0.66 -0.57 0.00 0.00 179.45 180.98 1wb1 n TYR 291 N -4.01 0.00 -4.13 -1.35 4.02 -1.26 -5.01 117.16 105.43 1wb1 n TYR 291 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.75 1wb1 n TYR 291 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.72 1wb1 n TYR 291 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1wb1 s ASN 292 N -1.00 0.33 -0.21 7.72 4.22 -1.26 -4.52 114.94 120.21 1wb1 s ASN 292 Ca 0.00 -1.29 -0.01 0.00 -2.14 0.00 0.00 52.86 49.42 1wb1 s ASN 292 Cb 0.00 0.51 0.06 0.00 1.28 0.00 0.00 41.25 43.10 1wb1 s ASN 292 CO 0.00 -1.03 -0.01 -0.22 -2.04 0.00 0.00 177.10 173.80 1wb1 s LEU 293 N -3.15 1.92 0.00 3.54 2.96 -0.88 -4.99 118.68 118.08 1wb1 s LEU 293 Ca 0.33 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1wb1 s LEU 293 Cb 0.03 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.81 1wb1 s LEU 293 CO 0.14 -0.27 0.00 0.35 -1.32 0.00 0.00 176.35 175.25 1wb1 n THR 294 N 4.85 0.00 -3.92 3.68 -2.24 -1.26 -2.79 114.28 112.60 1wb1 n THR 294 Ca -0.11 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.36 1wb1 n THR 294 Cb 0.46 -1.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.08 1wb1 n THR 294 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wb1 s PRO 295 N -1.34 3.41 0.00 -0.78 0.04 -1.26 -4.06 135.00 131.02 1wb1 s PRO 295 Ca 0.00 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1wb1 s PRO 295 Cb 0.00 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1wb1 s PRO 295 CO 0.00 0.63 0.00 1.63 0.04 0.00 0.00 177.00 179.30 1wb1 n LYS 296 N 0.53 -0.56 -2.14 4.56 4.76 0.50 -4.95 118.16 120.86 1wb1 n LYS 296 Ca -0.07 0.14 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 1wb1 n LYS 296 Cb 0.52 -3.64 -0.03 0.00 -1.84 0.00 0.00 35.03 30.04 1wb1 n LYS 296 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1wb1 s MET 297 N -0.67 4.32 -0.38 1.97 -2.45 -1.14 -4.68 119.30 116.27 1wb1 s MET 297 Ca 0.00 2.12 -0.27 0.00 -1.25 0.00 0.00 55.69 56.28 1wb1 s MET 297 Cb 0.00 -3.22 0.02 0.00 1.25 0.00 0.00 34.83 32.88 1wb1 s MET 297 CO 0.00 -0.42 1.01 0.15 1.05 0.00 0.00 175.02 176.81 1wb1 s LYS 298 N 0.79 3.87 0.49 4.11 -0.14 -1.26 -2.30 119.74 125.29 1wb1 s LYS 298 Ca 0.63 0.70 0.02 0.00 -1.36 0.00 0.00 55.97 55.96 1wb1 s LYS 298 Cb -0.38 -3.81 -0.02 0.00 -1.68 0.00 0.00 37.83 31.95 1wb1 s LYS 298 CO 0.33 -1.03 0.04 0.14 -0.76 0.00 0.00 175.35 174.06 1wb1 s VAL 299 N 3.73 1.01 -0.35 3.17 -7.23 -0.62 -4.71 120.40 115.40 1wb1 s VAL 299 Ca 0.42 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1wb1 s VAL 299 Cb -0.11 -2.20 0.09 0.00 0.56 0.00 0.00 36.38 34.72 1wb1 s VAL 299 CO 0.21 0.00 0.08 -1.00 -0.31 0.00 0.00 175.10 174.08 1wb1 s HIS 300 N -2.96 3.55 0.51 2.82 3.76 -0.96 -1.63 115.29 120.39 1wb1 s HIS 300 Ca 0.10 -2.50 -0.21 0.00 -0.15 0.00 0.00 55.06 52.30 1wb1 s HIS 300 Cb 0.02 -2.77 -0.07 0.00 1.11 0.00 0.00 32.58 30.87 1wb1 s HIS 300 CO 0.06 -0.92 1.14 -0.51 -0.85 0.00 0.00 174.74 173.66 1wb1 s LEU 301 N 1.08 3.86 -0.45 0.89 1.43 -0.73 -2.78 118.68 121.98 1wb1 s LEU 301 Ca 0.05 2.23 0.02 0.00 -1.03 0.00 0.00 54.13 55.40 1wb1 s LEU 301 Cb -0.21 -4.44 0.14 0.00 0.03 0.00 0.00 46.19 41.71 1wb1 s LEU 301 CO -0.05 -1.08 0.25 0.21 0.23 0.00 0.00 176.35 175.91 1wb1 s ASN 302 N -1.60 3.62 0.21 2.29 2.47 -1.04 -2.13 114.94 118.76 1wb1 s ASN 302 Ca 0.69 -2.70 0.08 0.00 0.42 0.00 0.00 52.86 51.35 1wb1 s ASN 302 Cb -0.26 -1.04 -0.04 0.00 -1.45 0.00 0.00 41.25 38.46 1wb1 s ASN 302 CO 0.30 -0.25 0.02 -0.69 -3.72 0.00 0.00 177.10 172.75 1wb1 s VAL 303 N 0.26 3.69 0.00 -5.21 1.01 -1.24 -2.75 120.40 116.16 1wb1 s VAL 303 Ca 0.19 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1wb1 s VAL 303 Cb -0.22 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1wb1 s VAL 303 CO -0.01 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1wb1 n GLY 304 N -0.48 0.72 0.10 4.51 0.00 -1.26 -1.58 105.19 107.19 1wb1 n GLY 304 Ca -0.08 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.28 1wb1 n GLY 304 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wb1 n MET 305 N 0.00 1.14 -0.74 1.61 0.00 -1.26 -3.91 117.12 113.95 1wb1 n MET 305 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.70 57.50 1wb1 n MET 305 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 33.22 31.81 1wb1 n MET 305 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1wb1 n LEU 306 N -0.68 0.00 -3.09 -0.89 4.77 -0.62 -4.80 117.00 111.69 1wb1 n LEU 306 Ca 0.19 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1wb1 n LEU 306 Cb 0.14 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1wb1 n LEU 306 CO 0.15 -0.49 0.16 -0.63 -1.33 0.00 0.00 177.39 175.25 1wb1 s ILE 307 N 0.56 -0.87 -0.05 -0.08 1.01 -1.26 -3.59 121.20 116.92 1wb1 s ILE 307 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 1wb1 s ILE 307 Cb 0.00 0.00 -0.05 0.00 0.01 0.00 0.00 42.46 42.42 1wb1 s ILE 307 CO 0.00 0.00 0.30 0.68 0.00 0.00 0.00 174.94 175.92 1wb1 s VAL 308 N 1.76 5.23 0.78 2.92 -7.23 -0.90 -4.93 120.40 118.02 1wb1 s VAL 308 Ca 0.17 0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 60.80 1wb1 s VAL 308 Cb -0.02 -3.58 0.06 0.00 0.56 0.00 0.00 36.38 33.39 1wb1 s VAL 308 CO -0.08 0.59 1.09 -2.84 -0.31 0.00 0.00 175.10 173.55 1wb1 s PRO 309 N -1.07 2.26 0.11 4.82 0.02 -1.26 -1.78 135.00 138.10 1wb1 s PRO 309 Ca 0.20 0.69 -0.26 0.00 0.02 0.00 0.00 61.00 61.65 1wb1 s PRO 309 Cb -0.15 -1.93 0.08 0.00 0.02 0.00 0.00 34.50 32.52 1wb1 s PRO 309 CO 0.10 -1.51 1.05 0.00 -0.33 0.00 0.00 177.00 176.31 1wb1 s ALA 310 N -3.14 -1.80 -0.05 -1.55 0.00 -0.64 -2.33 121.76 112.25 1wb1 s ALA 310 Ca 0.60 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.77 1wb1 s ALA 310 Cb -0.14 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1wb1 s ALA 310 CO 0.54 -1.05 0.01 0.08 0.00 0.00 0.00 175.76 175.34 1wb1 s VAL 311 N -2.95 4.28 0.13 0.00 1.01 0.11 -1.59 120.40 121.40 1wb1 s VAL 311 Ca 0.14 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1wb1 s VAL 311 Cb 0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1wb1 s VAL 311 CO 0.01 0.50 -0.21 0.00 0.00 0.00 0.00 175.10 175.40 1wb1 s ALA 312 N -0.99 1.94 -0.11 5.51 0.00 -0.97 -1.11 121.76 126.03 1wb1 s ALA 312 Ca 0.16 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 1wb1 s ALA 312 Cb -0.11 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1wb1 s ALA 312 CO 0.06 0.33 0.19 0.08 0.00 0.00 0.00 175.76 176.43 1wb1 s VAL 313 N -1.46 -0.30 0.30 0.00 1.01 -0.66 0.19 120.40 119.47 1wb1 s VAL 313 Ca 0.10 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 1wb1 s VAL 313 Cb -0.09 -0.38 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 1wb1 s VAL 313 CO 0.05 0.10 0.70 -2.16 0.00 0.00 0.00 175.10 173.79 1wb1 s PRO 314 N 2.33 3.98 -0.06 2.72 0.04 -1.26 -0.35 135.00 142.39 1wb1 s PRO 314 Ca 0.03 0.61 -0.19 0.00 0.04 0.00 0.00 61.00 61.49 1wb1 s PRO 314 Cb -0.12 -2.50 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1wb1 s PRO 314 CO -0.07 0.20 0.44 -0.59 0.04 0.00 0.00 177.00 177.02 1wb1 s PHE 315 N -1.92 -0.38 0.09 0.56 -0.00 0.27 -1.46 117.98 115.14 1wb1 s PHE 315 Ca 0.52 0.71 -0.09 0.00 -0.00 0.00 0.00 56.93 58.07 1wb1 s PHE 315 Cb -0.11 0.20 -0.06 0.00 -0.00 0.00 0.00 43.02 43.05 1wb1 s PHE 315 CO 0.18 -0.42 0.39 0.21 -0.00 0.00 0.00 175.22 175.59 1wb1 s LYS 316 N -0.95 3.72 -0.42 1.99 2.47 0.41 -2.98 119.74 123.98 1wb1 s LYS 316 Ca -0.10 0.11 -0.06 0.00 -1.56 0.00 0.00 55.97 54.37 1wb1 s LYS 316 Cb -0.03 -2.96 0.10 0.00 -1.46 0.00 0.00 37.83 33.48 1wb1 s LYS 316 CO 0.05 0.54 0.24 0.21 0.16 0.00 0.00 175.35 176.55 1wb1 s LYS 317 N -2.09 2.28 0.36 4.03 2.36 -1.26 -0.63 119.74 124.80 1wb1 s LYS 317 Ca 0.35 -1.70 0.08 0.00 -2.55 0.00 0.00 55.97 52.15 1wb1 s LYS 317 Cb -0.13 -3.69 -0.03 0.00 -1.05 0.00 0.00 37.83 32.92 1wb1 s LYS 317 CO 0.19 -1.05 0.26 0.08 1.55 0.00 0.00 175.35 176.38 1wb1 s VAL 318 N 1.27 3.10 -0.35 4.02 1.01 -1.05 -5.03 120.40 123.36 1wb1 s VAL 318 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1wb1 s VAL 318 Cb -0.24 -3.07 0.11 0.00 0.00 0.00 0.00 36.38 33.19 1wb1 s VAL 318 CO -0.02 -0.12 0.14 -0.89 0.00 0.00 0.00 175.10 174.21 1wb1 s THR 319 N -2.40 1.12 -1.18 3.92 2.01 -1.26 -2.86 115.64 115.00 1wb1 s THR 319 Ca 0.42 -1.82 -0.20 0.00 0.31 0.00 0.00 61.69 60.39 1wb1 s THR 319 Cb -0.04 -1.83 0.04 0.00 0.01 0.00 0.00 72.50 70.69 1wb1 s THR 319 CO 0.25 -0.74 1.67 -0.36 -0.69 0.00 0.00 174.62 174.75 1wb1 s PHE 320 N 1.17 2.58 0.00 4.92 2.99 -0.53 -4.83 117.98 124.28 1wb1 s PHE 320 Ca 0.12 -1.07 0.00 0.00 0.00 0.00 0.00 56.93 55.98 1wb1 s PHE 320 Cb -0.20 -4.64 0.00 0.00 0.00 0.00 0.00 43.02 38.19 1wb1 s PHE 320 CO -0.16 -1.80 0.00 0.41 -0.00 0.00 0.00 175.22 173.68 1wb1 n GLY 321 N 6.01 0.40 0.00 4.36 0.00 -1.26 -3.44 105.19 111.26 1wb1 n GLY 321 Ca 0.43 0.60 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1wb1 n GLY 321 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wb1 n LYS 322 N 0.00 0.00 -2.25 1.61 -0.00 -1.26 -4.81 118.16 111.45 1wb1 n LYS 322 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 1wb1 n LYS 322 Cb 0.00 -0.24 0.06 0.00 -0.00 0.00 0.00 35.03 34.85 1wb1 n LYS 322 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wb1 s THR 323 N 0.00 2.70 -0.37 0.58 2.01 -1.22 -5.07 115.64 114.27 1wb1 s THR 323 Ca 0.00 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1wb1 s THR 323 Cb 0.00 -3.14 0.13 0.00 0.01 0.00 0.00 72.50 69.50 1wb1 s THR 323 CO 0.00 -0.15 0.20 -1.83 -0.69 0.00 0.00 174.62 172.15 1wb1 s GLU 324 N -5.17 0.76 0.58 4.92 4.04 -1.26 -1.45 118.70 121.12 1wb1 s GLU 324 Ca 0.58 -1.43 0.02 0.00 0.04 0.00 0.00 54.97 54.19 1wb1 s GLU 324 Cb -0.11 -1.69 0.11 0.00 0.02 0.00 0.00 34.13 32.46 1wb1 s GLU 324 CO 0.45 -1.15 0.80 -0.85 -1.84 0.00 0.00 175.26 172.67 1wb1 n GLU 325 N 4.11 0.19 -3.49 -4.83 0.28 -1.13 -4.80 120.64 110.96 1wb1 n GLU 325 Ca 0.07 -2.38 -0.38 0.00 -0.16 0.00 0.00 57.16 54.31 1wb1 n GLU 325 Cb 0.37 -0.46 -0.08 0.00 1.43 0.00 0.00 31.44 32.70 1wb1 n GLU 325 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1wb1 s ASN 326 N -4.32 6.30 -0.23 -1.84 0.01 -1.26 -2.54 114.94 111.06 1wb1 s ASN 326 Ca 0.55 0.35 -0.09 0.00 -0.71 0.00 0.00 52.86 52.95 1wb1 s ASN 326 Cb -0.03 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 1wb1 s ASN 326 CO 0.36 -0.04 0.12 -0.63 -1.51 0.00 0.00 177.10 175.40 1wb1 s ILE 327 N 1.30 5.00 0.80 0.60 -1.09 0.20 -2.05 121.20 125.96 1wb1 s ILE 327 Ca 0.14 0.05 -0.14 0.00 -2.23 0.00 0.00 60.65 58.48 1wb1 s ILE 327 Cb -0.14 -3.32 0.06 0.00 -1.58 0.00 0.00 42.46 37.48 1wb1 s ILE 327 CO 0.07 0.36 1.05 0.00 -1.23 0.00 0.00 174.94 175.19 1wb1 n ILE 328 N 4.30 1.98 -5.24 2.92 3.06 -1.05 -0.45 119.36 124.89 1wb1 n ILE 328 Ca -0.16 -0.25 -0.31 0.00 -2.50 0.00 0.00 62.75 59.53 1wb1 n ILE 328 Cb 0.52 -1.10 -0.16 0.00 0.54 0.00 0.00 39.64 39.44 1wb1 n ILE 328 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1wb1 s LEU 329 N -4.46 2.14 0.05 9.51 2.01 -0.54 -4.66 118.68 122.74 1wb1 s LEU 329 Ca 0.71 -0.46 0.20 0.00 0.01 0.00 0.00 54.13 54.60 1wb1 s LEU 329 Cb -0.30 -1.38 -0.16 0.00 0.01 0.00 0.00 46.19 44.36 1wb1 s LEU 329 CO 0.53 0.29 0.72 0.59 1.01 0.00 0.00 176.35 179.48 1wb1 n ASN 330 N 2.66 0.53 -3.65 2.29 3.02 -1.26 -4.40 115.26 114.45 1wb1 n ASN 330 Ca -0.17 0.22 -0.15 0.00 -0.03 0.00 0.00 54.58 54.45 1wb1 n ASN 330 Cb 0.52 0.84 -0.08 0.00 -0.61 0.00 0.00 39.78 40.45 1wb1 n ASN 330 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1wb1 s GLU 331 N -3.18 0.77 -0.06 3.52 2.12 -1.26 -4.26 118.70 116.34 1wb1 s GLU 331 Ca -0.04 0.46 -0.07 0.00 0.36 0.00 0.00 54.97 55.67 1wb1 s GLU 331 Cb 0.10 0.36 0.02 0.00 0.26 0.00 0.00 34.13 34.87 1wb1 s GLU 331 CO 0.83 -0.17 0.19 0.14 -0.54 0.00 0.00 175.26 175.72 1wb1 s VAL 332 N -0.41 0.01 0.25 3.70 -7.23 -1.12 -5.00 120.40 110.60 1wb1 s VAL 332 Ca -0.06 -0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.06 1wb1 s VAL 332 Cb -0.03 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.59 1wb1 s VAL 332 CO 0.04 -0.06 0.24 2.30 -0.31 0.00 0.00 175.10 177.31 1wb1 n ILE 333 N 2.73 0.00 -1.25 -0.62 -5.35 -1.26 -2.06 119.36 111.55 1wb1 n ILE 333 Ca -0.14 -1.71 -0.54 0.00 -0.27 0.00 0.00 62.75 60.09 1wb1 n ILE 333 Cb 0.58 0.89 -0.12 0.00 -1.74 0.00 0.00 39.64 39.25 1wb1 n ILE 333 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1wb1 n SER 334 N -1.97 0.63 0.00 7.28 3.41 -1.26 -2.75 113.62 118.95 1wb1 n SER 334 Ca 0.05 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1wb1 n SER 334 Cb 0.45 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1wb1 n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wb1 n GLY 335 N 7.01 0.58 2.98 5.00 0.00 -0.90 -4.75 105.19 115.10 1wb1 n GLY 335 Ca 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 1wb1 n GLY 335 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wb1 s ASN 336 N -1.04 0.61 -0.10 1.61 0.01 -1.11 -4.97 114.94 109.96 1wb1 s ASN 336 Ca 0.00 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 51.97 1wb1 s ASN 336 Cb 0.00 -0.03 -0.01 0.00 0.41 0.00 0.00 41.25 41.61 1wb1 s ASN 336 CO 0.00 -0.01 -0.17 -1.61 -1.51 0.00 0.00 177.10 173.80 1wb1 s GLU 337 N -0.49 3.01 0.07 -0.60 2.02 -1.26 -2.35 118.70 119.10 1wb1 s GLU 337 Ca -0.01 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1wb1 s GLU 337 Cb -0.04 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1wb1 s GLU 337 CO -0.00 0.33 0.02 0.66 0.02 0.00 0.00 175.26 176.28 1wb1 n TYR 339 N 3.16 -0.30 -3.80 1.61 4.02 -1.16 -4.88 117.16 115.82 1wb1 n TYR 339 Ca -0.18 -0.32 -0.13 0.00 -0.01 0.00 0.00 57.90 57.26 1wb1 n TYR 339 Cb 0.53 -0.05 -0.10 0.00 -0.02 0.00 0.00 39.34 39.70 1wb1 n TYR 339 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wb1 s ALA 341 N -2.11 -0.62 -0.09 -0.72 0.00 0.52 -0.57 121.76 118.17 1wb1 s ALA 341 Ca 0.01 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 1wb1 s ALA 341 Cb -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1wb1 s ALA 341 CO 0.01 -0.20 -0.04 -0.06 0.00 0.00 0.00 175.76 175.46 1wb1 s PHE 342 N -0.86 1.08 -0.34 0.00 0.40 0.36 -1.66 117.98 116.95 1wb1 s PHE 342 Ca -0.09 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 1wb1 s PHE 342 Cb -0.05 -1.00 0.05 0.00 0.51 0.00 0.00 43.02 42.54 1wb1 s PHE 342 CO 0.02 -0.40 0.09 -1.21 0.70 0.00 0.00 175.22 174.42 1wb1 s GLU 343 N 1.71 2.50 0.26 0.44 2.02 -0.27 -0.78 118.70 124.59 1wb1 s GLU 343 Ca 0.03 -1.29 -0.03 0.00 0.02 0.00 0.00 54.97 53.70 1wb1 s GLU 343 Cb -0.13 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1wb1 s GLU 343 CO -0.06 -0.71 0.50 -0.48 0.02 0.00 0.00 175.26 174.53 1wb1 s LEU 344 N 1.33 4.11 -0.68 1.80 2.34 -0.86 -0.71 118.68 126.03 1wb1 s LEU 344 Ca -0.02 0.59 -0.03 0.00 0.06 0.00 0.00 54.13 54.74 1wb1 s LEU 344 Cb -0.20 -3.39 0.19 0.00 -0.56 0.00 0.00 46.19 42.23 1wb1 s LEU 344 CO 0.01 -0.15 2.42 -1.84 -1.06 0.00 0.00 176.35 175.73 1wb1 n GLU 345 N -0.88 2.76 0.00 1.48 0.28 -0.98 -4.83 120.64 118.46 1wb1 n GLU 345 Ca -0.03 -2.96 0.00 0.00 -0.16 0.00 0.00 57.16 54.01 1wb1 n GLU 345 Cb 0.54 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1wb1 n GLU 345 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1wb1 n GLU 346 N 0.30 0.00 -1.89 3.44 4.07 -1.26 -4.89 120.64 120.40 1wb1 n GLU 346 Ca 0.51 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 57.30 1wb1 n GLU 346 Cb 0.40 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.80 1wb1 n GLU 346 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1wb1 s LYS 347 N -0.74 3.25 0.05 5.31 3.01 -1.26 -4.82 119.74 124.53 1wb1 s LYS 347 Ca 0.00 1.07 0.01 0.00 -1.01 0.00 0.00 55.97 56.03 1wb1 s LYS 347 Cb 0.00 -2.03 -0.00 0.00 -1.01 0.00 0.00 37.83 34.79 1wb1 s LYS 347 CO 0.00 -0.86 0.05 1.33 0.51 0.00 0.00 175.35 176.39 1wb1 n VAL 348 N -2.43 0.00 -4.39 3.17 0.24 -0.01 -4.91 118.33 110.01 1wb1 n VAL 348 Ca 0.08 -0.33 -0.22 0.00 -2.04 0.00 0.00 64.34 61.83 1wb1 n VAL 348 Cb 0.53 0.17 -0.10 0.00 -1.47 0.00 0.00 33.84 32.97 1wb1 n VAL 348 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wb1 s LEU 349 N 0.00 2.53 0.00 1.34 1.02 -1.25 0.11 118.68 122.42 1wb1 s LEU 349 Ca 0.05 -0.97 0.00 0.00 0.02 0.00 0.00 54.13 53.23 1wb1 s LEU 349 Cb 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 46.19 45.31 1wb1 s LEU 349 CO 0.04 -0.04 0.00 0.00 0.02 0.00 0.00 176.35 176.37 1wb1 n ALA 350 N -0.25 0.00 -2.91 4.21 0.00 -0.59 -4.57 120.51 116.41 1wb1 n ALA 350 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 1wb1 n ALA 350 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 1wb1 n ALA 350 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wb1 s GLU 351 N -1.85 3.34 0.01 0.00 -1.05 -1.26 -3.61 118.70 114.28 1wb1 s GLU 351 Ca 0.00 -0.62 -0.38 0.00 -0.15 0.00 0.00 54.97 53.82 1wb1 s GLU 351 Cb 0.00 -2.92 -0.17 0.00 -0.44 0.00 0.00 34.13 30.59 1wb1 s GLU 351 CO 0.00 0.53 1.33 0.28 0.95 0.00 0.00 175.26 178.35 1wb1 n VAL 352 N -0.34 0.03 0.00 1.83 0.31 -1.26 -0.63 118.33 118.27 1wb1 n VAL 352 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1wb1 n VAL 352 Cb 0.53 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1wb1 n VAL 352 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wb1 n GLY 353 N 2.50 1.46 3.72 2.92 0.00 0.54 -4.97 105.19 111.36 1wb1 n GLY 353 Ca 0.20 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1wb1 n GLY 353 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wb1 n ASP 354 N 0.03 2.65 -4.66 1.61 10.43 0.20 -4.33 116.55 122.48 1wb1 n ASP 354 Ca 0.00 1.06 -0.37 0.00 2.57 0.00 0.00 54.79 58.06 1wb1 n ASP 354 Cb 0.00 -1.53 -0.09 0.00 1.84 0.00 0.00 41.12 41.34 1wb1 n ASP 354 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wb1 s ARG 355 N -2.44 4.09 0.07 -1.24 1.70 -1.26 -0.88 118.95 118.99 1wb1 s ARG 355 Ca 0.64 -0.19 0.06 0.00 -0.47 0.00 0.00 55.73 55.77 1wb1 s ARG 355 Cb -0.47 -3.54 -0.04 0.00 -0.57 0.00 0.00 34.95 30.34 1wb1 s ARG 355 CO 0.55 0.05 -0.07 0.14 -1.08 0.00 0.00 175.30 174.89 1wb1 s VAL 356 N 1.09 3.58 -0.26 4.99 -7.23 0.21 -4.86 120.40 117.93 1wb1 s VAL 356 Ca 0.09 -1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1wb1 s VAL 356 Cb -0.14 -2.65 0.03 0.00 0.56 0.00 0.00 36.38 34.19 1wb1 s VAL 356 CO 0.05 0.19 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.75 1wb1 s LEU 357 N -2.01 3.31 0.73 1.32 0.20 -1.11 -1.62 118.68 119.50 1wb1 s LEU 357 Ca 0.21 -1.00 -0.11 0.00 0.69 0.00 0.00 54.13 53.92 1wb1 s LEU 357 Cb -0.11 -1.65 0.03 0.00 -0.43 0.00 0.00 46.19 44.03 1wb1 s LEU 357 CO 0.13 -0.16 1.08 -0.51 -0.29 0.00 0.00 176.35 176.60 1wb1 s ILE 358 N 1.28 3.65 -0.29 6.68 2.07 -1.19 -2.50 121.20 130.89 1wb1 s ILE 358 Ca -0.02 0.55 0.02 0.00 -1.41 0.00 0.00 60.65 59.80 1wb1 s ILE 358 Cb -0.17 -3.15 0.20 0.00 0.13 0.00 0.00 42.46 39.46 1wb1 s ILE 358 CO -0.04 -0.68 0.66 0.28 -1.91 0.00 0.00 174.94 173.25 1wb1 s THR 359 N -2.92 -0.89 -0.21 4.00 -1.32 -1.12 -4.24 115.64 108.94 1wb1 s THR 359 Ca 0.60 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.79 1wb1 s THR 359 Cb -0.16 -0.91 -0.03 0.00 -1.51 0.00 0.00 72.50 69.89 1wb1 s THR 359 CO 0.54 0.00 1.70 -0.60 -2.21 0.00 0.00 174.62 174.05 1wb1 s ARG 360 N 2.85 3.74 -0.05 7.08 3.00 -1.03 -2.26 118.95 132.29 1wb1 s ARG 360 Ca 0.13 1.74 -0.06 0.00 -1.00 0.00 0.00 55.73 56.55 1wb1 s ARG 360 Cb -0.10 -4.08 -0.28 0.00 0.00 0.00 0.00 34.95 30.49 1wb1 s ARG 360 CO -0.25 -1.36 0.65 1.25 0.00 0.00 0.00 175.30 175.59 1wb1 h LEU 361 N 11.98 0.46 -1.77 -0.88 5.85 -1.84 -3.39 115.31 125.72 1wb1 h LEU 361 Ca -0.35 -0.75 0.13 0.00 0.84 0.00 0.00 57.88 57.75 1wb1 h LEU 361 Cb 1.17 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1wb1 h LEU 361 CO 1.00 1.64 0.41 -2.24 -0.34 0.00 0.00 178.44 178.91 1wb1 h ASP 362 N 0.08 0.23 -3.76 1.25 3.04 -1.90 -3.44 116.42 111.91 1wb1 h ASP 362 Ca -0.33 0.01 -0.56 0.00 -3.24 0.00 0.00 57.03 52.91 1wb1 h ASP 362 Cb 2.05 -0.04 0.17 0.00 -1.04 0.00 0.00 39.33 40.48 1wb1 h ASP 362 CO 0.14 0.13 0.19 0.18 -2.04 0.00 0.00 179.24 177.84 1wb1 n LEU 363 N -4.44 4.11 -4.40 0.15 4.77 -1.26 -4.87 117.00 111.05 1wb1 n LEU 363 Ca 0.11 0.75 -0.49 0.00 -0.03 0.00 0.00 56.01 56.35 1wb1 n LEU 363 Cb 0.49 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1wb1 n LEU 363 CO 0.35 -1.77 0.03 -0.81 -1.33 0.00 0.00 177.39 173.85 1wb1 n PRO 364 N -1.52 0.00 0.20 3.23 -0.04 -1.26 -4.80 135.00 130.81 1wb1 n PRO 364 Ca 0.14 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.78 1wb1 n PRO 364 Cb 0.48 -1.03 0.80 0.00 -0.04 0.00 0.00 33.50 33.71 1wb1 n PRO 364 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1wb1 h PRO 365 N 1.12 0.00 -2.72 0.54 0.13 -1.91 -3.21 132.00 125.95 1wb1 h PRO 365 Ca -0.29 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.12 1wb1 h PRO 365 Cb 1.44 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.23 1wb1 h PRO 365 CO 0.57 0.00 0.17 0.25 -0.23 0.00 0.00 178.00 178.77 1wb1 n THR 366 N -3.43 3.97 -3.33 1.56 -2.24 -1.26 -4.93 114.28 104.62 1wb1 n THR 366 Ca 0.03 -5.57 0.02 0.00 -2.27 0.00 0.00 64.05 56.26 1wb1 n THR 366 Cb 0.47 -2.14 -0.04 0.00 -2.10 0.00 0.00 70.33 66.52 1wb1 n THR 366 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wb1 s THR 367 N -2.47 -0.25 -0.93 4.28 2.01 -1.21 -5.07 115.64 111.99 1wb1 s THR 367 Ca 0.34 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 1wb1 s THR 367 Cb 0.07 -1.00 -0.28 0.00 0.01 0.00 0.00 72.50 71.30 1wb1 s THR 367 CO 0.03 0.00 2.16 -0.11 -0.69 0.00 0.00 174.62 176.01 1wb1 n LEU 368 N 4.62 -0.85 -1.32 4.42 7.94 -1.26 -4.69 117.00 125.86 1wb1 n LEU 368 Ca -0.09 -0.29 -0.06 0.00 -1.11 0.00 0.00 56.01 54.46 1wb1 n LEU 368 Cb 0.54 -0.61 0.05 0.00 0.53 0.00 0.00 43.42 43.94 1wb1 n LEU 368 CO -0.04 -1.12 0.70 0.54 -1.11 0.00 0.00 177.39 176.36 1wb1 n ARG 369 N 6.01 1.39 -5.17 1.96 1.74 -1.26 -4.76 116.66 116.56 1wb1 n ARG 369 Ca 0.63 -0.84 -0.32 0.00 -0.77 0.00 0.00 57.85 56.55 1wb1 n ARG 369 Cb 0.10 -1.35 -0.16 0.00 -1.02 0.00 0.00 32.46 30.03 1wb1 n ARG 369 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1wb1 s ILE 370 N -0.94 2.21 0.12 0.55 -1.09 -1.26 -2.47 121.20 118.32 1wb1 s ILE 370 Ca 0.16 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.58 1wb1 s ILE 370 Cb 0.13 -1.84 0.02 0.00 -1.58 0.00 0.00 42.46 39.19 1wb1 s ILE 370 CO 0.03 0.56 0.04 0.61 -1.23 0.00 0.00 174.94 174.95 1wb1 n GLY 372 N 3.32 -1.26 0.00 6.18 0.00 -1.26 -4.65 105.19 107.52 1wb1 n GLY 372 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1wb1 n GLY 372 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wb1 n HIS 373 N -2.58 0.00 -3.84 1.61 -0.00 -1.25 -3.20 115.22 105.96 1wb1 n HIS 373 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 1wb1 n HIS 373 Cb 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.03 1wb1 n HIS 373 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1wb1 s GLY 374 N 0.00 0.25 0.27 -1.39 0.00 -0.64 -3.16 107.32 102.65 1wb1 s GLY 374 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 1wb1 s GLY 374 CO 0.00 -0.27 0.49 1.08 0.00 0.00 0.00 173.10 174.40 1wb1 s LEU 375 N -3.02 4.12 -0.15 0.66 2.01 -1.06 -0.61 118.68 120.62 1wb1 s LEU 375 Ca 0.15 0.51 -0.29 0.00 0.01 0.00 0.00 54.13 54.50 1wb1 s LEU 375 Cb -0.05 -3.32 -0.01 0.00 0.01 0.00 0.00 46.19 42.82 1wb1 s LEU 375 CO 0.10 -0.16 1.06 -0.63 1.01 0.00 0.00 176.35 177.73 1wb1 s ILE 376 N -2.06 4.64 -0.33 -0.59 1.01 -0.06 -1.76 121.20 122.05 1wb1 s ILE 376 Ca 0.41 1.95 0.21 0.00 0.00 0.00 0.00 60.65 63.21 1wb1 s ILE 376 Cb -0.10 -4.25 -0.30 0.00 0.01 0.00 0.00 42.46 37.81 1wb1 s ILE 376 CO 0.31 -0.07 0.60 -0.62 0.00 0.00 0.00 174.94 175.16 1wb1 n GLU 377 N 5.63 0.49 0.00 2.79 1.02 -0.71 -0.34 120.64 129.52 1wb1 n GLU 377 Ca 0.11 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1wb1 n GLU 377 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1wb1 n GLU 377 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1wb1 n GLU 378 N -2.00 0.00 -3.96 3.49 0.28 -1.10 -4.93 120.64 112.42 1wb1 n GLU 378 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.66 1wb1 n GLU 378 Cb 0.48 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.21 1wb1 n GLU 378 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1wb1 s PHE 379 N -2.00 3.63 -0.02 -1.84 0.40 -1.26 -1.18 117.98 115.71 1wb1 s PHE 379 Ca 0.00 -2.70 -0.01 0.00 -0.60 0.00 0.00 56.93 53.62 1wb1 s PHE 379 Cb 0.00 -2.82 0.02 0.00 0.51 0.00 0.00 43.02 40.73 1wb1 s PHE 379 CO 0.00 -0.94 0.04 0.15 0.70 0.00 0.00 175.22 175.17 1wb1 s LYS 380 N 1.01 -0.00 1.11 0.44 -0.14 -1.22 -4.96 119.74 115.97 1wb1 s LYS 380 Ca 0.07 0.14 -0.13 0.00 -1.36 0.00 0.00 55.97 54.70 1wb1 s LYS 380 Cb -0.20 -0.14 0.25 0.00 -1.68 0.00 0.00 37.83 36.06 1wb1 s LYS 380 CO -0.06 -0.10 1.05 -1.25 -0.76 0.00 0.00 175.35 174.23 1wb1 s PRO 381 N 0.67 -0.45 0.11 -1.68 0.04 -1.26 -4.58 135.00 127.85 1wb1 s PRO 381 Ca -0.06 0.68 -0.34 0.00 0.04 0.00 0.00 61.00 61.33 1wb1 s PRO 381 Cb -0.08 -1.62 -0.13 0.00 0.04 0.00 0.00 34.50 32.71 1wb1 s PRO 381 CO -0.02 -3.37 1.57 0.82 0.04 0.00 0.00 177.00 176.04 1wb1 h ILE 382 N -2.36 0.04 -0.53 0.56 2.04 -1.98 -3.18 117.51 112.11 1wb1 h ILE 382 Ca -0.59 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1wb1 h ILE 382 Cb 1.34 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1wb1 h ILE 382 CO 0.54 0.00 -0.31 0.29 0.00 0.00 0.00 178.15 178.67 1wb1 n LYS 383 N -5.48 -0.23 0.29 2.37 5.02 -1.26 -0.87 118.16 118.00 1wb1 n LYS 383 Ca -0.08 1.15 0.07 0.00 -2.02 0.00 0.00 58.31 57.43 1wb1 n LYS 383 Cb 0.40 -1.70 0.32 0.00 -0.02 0.00 0.00 35.03 34.04 1wb1 n LYS 383 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1wb1 h ASP 384 N 0.00 0.00 0.80 4.39 5.19 -1.91 0.28 116.42 125.18 1wb1 h ASP 384 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1wb1 h ASP 384 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1wb1 h ASP 384 CO -0.50 0.00 -0.01 0.18 -3.12 0.00 0.00 179.24 175.79 1wb1 n LEU 385 N -2.71 0.02 -3.85 1.55 4.77 -0.05 -4.95 117.00 111.78 1wb1 n LEU 385 Ca 0.01 0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 56.05 1wb1 n LEU 385 Cb 0.82 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1wb1 n LEU 385 CO 0.07 0.01 -0.15 0.59 -1.33 0.00 0.00 177.39 176.57 1wb1 n ASN 386 N -1.40 -3.55 -4.64 -1.43 3.02 0.10 -4.52 115.26 102.84 1wb1 n ASN 386 Ca 0.10 -1.08 -0.43 0.00 -0.03 0.00 0.00 54.58 53.15 1wb1 n ASN 386 Cb 0.30 -2.91 -0.02 0.00 -0.61 0.00 0.00 39.78 36.54 1wb1 n ASN 386 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wb1 s ILE 387 N -3.64 3.82 -0.00 2.41 1.01 -1.26 -4.49 121.20 119.04 1wb1 s ILE 387 Ca 0.34 0.95 -0.04 0.00 0.00 0.00 0.00 60.65 61.89 1wb1 s ILE 387 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1wb1 s ILE 387 CO 0.89 -0.23 0.22 -0.54 0.00 0.00 0.00 174.94 175.28 1wb1 s LYS 388 N 4.28 3.50 0.33 2.79 -0.14 -0.87 -4.64 119.74 124.98 1wb1 s LYS 388 Ca 0.67 -0.21 0.23 0.00 -1.36 0.00 0.00 55.97 55.30 1wb1 s LYS 388 Cb -0.25 -3.08 0.19 0.00 -1.68 0.00 0.00 37.83 33.00 1wb1 s LYS 388 CO 0.26 0.66 1.35 -0.22 -0.76 0.00 0.00 175.35 176.65 1wb1 h LYS 389 N 3.89 0.00 -6.77 1.68 3.64 -1.77 -2.77 116.57 114.47 1wb1 h LYS 389 Ca -0.49 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.40 1wb1 h LYS 389 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1wb1 h LYS 389 CO 0.68 0.00 -0.98 -1.91 -2.27 0.00 0.00 179.45 174.96 1wb1 n GLU 390 N -2.89 -0.98 -4.51 1.90 2.13 -1.24 -4.83 120.64 110.21 1wb1 n GLU 390 Ca 0.02 0.42 -0.34 0.00 0.66 0.00 0.00 57.16 57.93 1wb1 n GLU 390 Cb 0.54 -2.05 -0.12 0.00 0.27 0.00 0.00 31.44 30.08 1wb1 n GLU 390 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wb1 s VAL 391 N -3.18 3.72 -0.07 6.31 1.01 -0.44 -4.93 120.40 122.83 1wb1 s VAL 391 Ca 0.17 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1wb1 s VAL 391 Cb -0.09 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1wb1 s VAL 391 CO 0.84 0.52 -0.07 -1.48 0.00 0.00 0.00 175.10 174.91 1wb1 s LEU 392 N 0.11 3.13 0.24 3.92 2.34 -1.26 -3.06 118.68 124.11 1wb1 s LEU 392 Ca -0.02 -0.04 0.04 0.00 0.06 0.00 0.00 54.13 54.18 1wb1 s LEU 392 Cb -0.14 -1.68 -0.05 0.00 -0.56 0.00 0.00 46.19 43.76 1wb1 s LEU 392 CO 0.03 0.36 -0.01 -0.60 -1.06 0.00 0.00 176.35 175.07 1wb1 s ARG 393 N -0.81 1.39 0.03 1.48 3.52 -0.43 -4.99 118.95 119.14 1wb1 s ARG 393 Ca 0.12 -1.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.02 1wb1 s ARG 393 Cb -0.11 -0.72 -0.02 0.00 -1.56 0.00 0.00 34.95 32.54 1wb1 s ARG 393 CO 0.01 -0.08 -0.04 -2.00 -0.81 0.00 0.00 175.30 172.38 1wb1 s GLU 394 N -3.84 0.37 0.06 5.12 -6.30 -1.26 -1.50 118.70 111.34 1wb1 s GLU 394 Ca 0.29 -0.63 -0.01 0.00 -2.50 0.00 0.00 54.97 52.13 1wb1 s GLU 394 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 34.13 34.13 1wb1 s GLU 394 CO 0.10 -0.02 -0.03 0.20 0.02 0.00 0.00 175.26 175.53 1wb1 s GLY 395 N -1.43 0.51 0.65 -1.50 0.00 -0.99 -4.28 107.32 100.28 1wb1 s GLY 395 Ca -0.13 -1.23 -0.09 0.00 0.00 0.00 0.00 44.72 43.26 1wb1 s GLY 395 CO -0.01 -1.33 1.01 0.54 0.00 0.00 0.00 173.10 173.32 1wb1 s LYS 396 N -3.92 2.96 -0.87 2.90 1.02 -1.12 0.32 119.74 121.02 1wb1 s LYS 396 Ca 0.08 0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.39 1wb1 s LYS 396 Cb 0.08 -2.13 0.29 0.00 -0.52 0.00 0.00 37.83 35.55 1wb1 s LYS 396 CO -0.09 -0.85 1.17 0.28 -0.92 0.00 0.00 175.35 174.94 1wb1 n VAL 397 N -2.81 4.04 -2.82 3.17 0.31 -1.26 -1.26 118.33 117.70 1wb1 n VAL 397 Ca 0.06 -5.63 -0.41 0.00 -0.01 0.00 0.00 64.34 58.35 1wb1 n VAL 397 Cb 0.57 -2.04 -0.05 0.00 -0.91 0.00 0.00 33.84 31.41 1wb1 n VAL 397 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wb1 s LYS 398 N -2.76 4.65 -1.06 5.55 1.02 -0.60 -1.46 119.74 125.09 1wb1 s LYS 398 Ca 0.36 1.33 -0.11 0.00 0.02 0.00 0.00 55.97 57.57 1wb1 s LYS 398 Cb 0.11 -3.35 0.25 0.00 -0.52 0.00 0.00 37.83 34.31 1wb1 s LYS 398 CO 0.04 0.29 1.08 0.96 -0.92 0.00 0.00 175.35 176.81 1wb1 s ILE 399 N -0.23 5.75 0.88 2.17 -4.36 -1.26 -2.34 121.20 121.81 1wb1 s ILE 399 Ca 0.43 -3.05 -0.13 0.00 -0.26 0.00 0.00 60.65 57.64 1wb1 s ILE 399 Cb -0.23 -4.62 0.13 0.00 1.25 0.00 0.00 42.46 38.99 1wb1 s ILE 399 CO 0.28 -1.22 1.22 -0.62 0.24 0.00 0.00 174.94 174.84 1wb1 s ASP 400 N 1.78 3.85 0.18 4.36 -1.08 -1.26 -4.87 116.67 119.63 1wb1 s ASP 400 Ca 0.30 0.64 -0.04 0.00 -0.52 0.00 0.00 52.55 52.92 1wb1 s ASP 400 Cb -0.09 -0.99 0.32 0.00 -1.46 0.00 0.00 42.92 40.69 1wb1 s ASP 400 CO -0.07 -2.30 0.98 2.29 0.52 0.00 0.00 175.17 176.59 1wb1 n LYS 401 N -3.55 -0.06 -1.87 4.34 2.85 -1.26 -3.90 118.16 114.71 1wb1 n LYS 401 Ca 0.10 0.98 -0.42 0.00 -1.05 0.00 0.00 58.31 57.92 1wb1 n LYS 401 Cb 0.60 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.48 1wb1 n LYS 401 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1wb1 s GLY 402 N -4.15 1.48 0.05 2.58 0.00 -1.26 -4.88 107.32 101.13 1wb1 s GLY 402 Ca -0.09 1.38 -0.10 0.00 0.00 0.00 0.00 44.72 45.91 1wb1 s GLY 402 CO 0.49 2.78 0.63 -0.96 0.00 0.00 0.00 173.10 176.05 1wb1 n ARG 403 N 4.52 -0.14 -4.69 2.90 1.85 -1.25 -4.31 116.66 115.54 1wb1 n ARG 403 Ca 0.15 0.62 -0.31 0.00 -1.00 0.00 0.00 57.85 57.31 1wb1 n ARG 403 Cb 0.38 -0.92 -0.17 0.00 -1.05 0.00 0.00 32.46 30.71 1wb1 n ARG 403 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1wb1 s THR 404 N -4.48 1.87 -0.02 8.89 2.01 -1.26 -4.58 115.64 118.05 1wb1 s THR 404 Ca -0.04 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1wb1 s THR 404 Cb 0.03 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1wb1 s THR 404 CO 0.19 0.51 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.93 1wb1 s VAL 405 N 0.79 0.24 -0.06 3.82 1.01 -0.99 -4.37 120.40 120.84 1wb1 s VAL 405 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1wb1 s VAL 405 Cb -0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1wb1 s VAL 405 CO 0.00 0.14 -0.15 -0.63 0.00 0.00 0.00 175.10 174.46 1wb1 s ILE 406 N 0.74 2.99 -0.21 2.22 1.09 -0.48 -1.56 121.20 125.99 1wb1 s ILE 406 Ca -0.08 -0.74 -0.04 0.00 -1.10 0.00 0.00 60.65 58.69 1wb1 s ILE 406 Cb -0.11 -2.18 0.07 0.00 -1.06 0.00 0.00 42.46 39.18 1wb1 s ILE 406 CO -0.01 0.58 0.08 -0.62 -0.10 0.00 0.00 174.94 174.87 1wb1 s ASP 407 N -0.54 2.81 0.00 3.58 2.15 -0.39 -2.82 116.67 121.46 1wb1 s ASP 407 Ca 0.07 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.20 1wb1 s ASP 407 Cb -0.11 -0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.12 1wb1 s ASP 407 CO 0.01 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 1wb1 n GLY 408 N 5.19 1.56 0.33 2.66 0.00 -1.26 -2.81 105.19 110.85 1wb1 n GLY 408 Ca -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1wb1 n GLY 408 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wb1 h LEU 409 N 0.00 0.83 -9.49 0.99 5.85 -1.86 -3.43 115.31 108.20 1wb1 h LEU 409 Ca 0.00 -0.09 -0.65 0.00 0.84 0.00 0.00 57.88 57.98 1wb1 h LEU 409 Cb 0.00 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 40.70 1wb1 h LEU 409 CO 0.00 0.71 -0.62 0.00 -0.34 0.00 0.00 178.44 178.19 1wb1 s ALA 410 N -5.51 3.41 -0.13 1.25 0.00 -1.26 -4.96 121.76 114.55 1wb1 s ALA 410 Ca -0.10 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 1wb1 s ALA 410 Cb 0.16 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1wb1 s ALA 410 CO 0.79 0.69 1.06 -0.65 0.00 0.00 0.00 175.76 177.65 1wb1 s GLN 411 N -1.93 4.36 0.26 0.00 -0.21 -1.26 -4.81 119.66 116.08 1wb1 s GLN 411 Ca 0.24 1.44 0.14 0.00 0.02 0.00 0.00 55.36 57.20 1wb1 s GLN 411 Cb -0.12 -3.58 0.93 0.00 1.00 0.00 0.00 33.01 31.25 1wb1 s GLN 411 CO 0.15 -0.43 1.10 0.45 -2.12 0.00 0.00 175.29 174.44 1wb1 n SER 412 N 5.43 0.24 -3.30 5.90 2.88 -1.26 -1.60 113.62 121.91 1wb1 n SER 412 Ca 0.10 1.15 -0.25 0.00 -1.33 0.00 0.00 58.87 58.54 1wb1 n SER 412 Cb 0.47 -0.56 -0.05 0.00 -0.75 0.00 0.00 64.21 63.33 1wb1 n SER 412 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wb1 n LYS 413 N -4.57 0.79 -2.98 -1.46 5.02 -1.26 0.13 118.16 113.84 1wb1 n LYS 413 Ca 0.26 -1.13 -0.14 0.00 -2.02 0.00 0.00 58.31 55.28 1wb1 n LYS 413 Cb 0.89 -2.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1wb1 n LYS 413 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wb1 n VAL 414 N 5.53 0.00 -0.17 -0.18 0.24 -1.15 -4.73 118.33 117.87 1wb1 n VAL 414 Ca 0.32 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.53 1wb1 n VAL 414 Cb 0.22 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1wb1 n VAL 414 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wb1 h ALA 415 N 1.08 0.68 -1.18 2.33 0.00 -1.51 -2.37 119.26 118.29 1wb1 h ALA 415 Ca -0.20 -0.29 0.41 0.00 0.00 0.00 0.00 54.91 54.83 1wb1 h ALA 415 Cb 1.01 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.47 1wb1 h ALA 415 CO 0.30 0.50 0.72 0.00 0.00 0.00 0.00 179.25 180.77 1wb1 h ALA 416 N 0.93 2.44 -0.39 0.00 0.00 -1.85 0.16 119.26 120.56 1wb1 h ALA 416 Ca 0.14 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1wb1 h ALA 416 Cb 0.54 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1wb1 h ALA 416 CO 0.03 -1.11 -0.44 0.93 0.00 0.00 0.00 179.25 178.66 1wb1 h GLU 417 N 0.11 -0.25 0.00 0.00 3.07 -1.76 -1.73 114.58 114.01 1wb1 h GLU 417 Ca 0.81 0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 59.50 1wb1 h GLU 417 Cb 2.32 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 30.26 1wb1 h GLU 417 CO -0.54 -0.17 -0.88 -0.22 -1.40 0.00 0.00 179.01 175.80 1wb1 h LYS 418 N -0.26 0.01 -2.66 2.33 3.64 -1.05 -3.34 116.57 115.23 1wb1 h LYS 418 Ca 0.07 -0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 58.98 1wb1 h LYS 418 Cb 0.44 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1wb1 h LYS 418 CO -0.51 0.88 2.10 -0.11 -2.27 0.00 0.00 179.45 179.55 1wb1 n LEU 419 N -3.51 6.95 0.00 5.20 7.94 0.33 -4.84 117.00 129.06 1wb1 n LEU 419 Ca -0.01 -3.71 0.00 0.00 -1.11 0.00 0.00 56.01 51.18 1wb1 n LEU 419 Cb 0.83 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.35 1wb1 n LEU 419 CO 0.46 1.76 0.00 2.30 -1.11 0.00 0.00 177.39 180.79 1wb1 n ILE 420 N 3.22 0.00 -0.46 1.96 -0.00 -1.21 -4.76 119.36 118.11 1wb1 n ILE 420 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.36 1wb1 n ILE 420 Cb 0.47 -0.22 0.00 0.00 -0.00 0.00 0.00 39.64 39.89 1wb1 n ILE 420 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1wb1 n GLY 421 N 5.00 0.00 0.00 3.28 0.00 -1.11 -4.75 105.19 107.61 1wb1 n GLY 421 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wb1 n GLY 421 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wb1 n GLU 422 N -0.17 0.00 -3.71 1.61 -0.58 -1.26 -4.98 120.64 111.56 1wb1 n GLU 422 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1wb1 n GLU 422 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1wb1 n GLU 422 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1wb1 s GLU 423 N 2.17 1.30 0.20 3.49 2.02 -1.26 -4.64 118.70 121.99 1wb1 s GLU 423 Ca 0.00 -0.67 -0.23 0.00 0.02 0.00 0.00 54.97 54.09 1wb1 s GLU 423 Cb 0.00 0.48 0.05 0.00 0.10 0.00 0.00 34.13 34.75 1wb1 s GLU 423 CO 0.00 -0.59 0.75 0.96 0.02 0.00 0.00 175.26 176.40 1wb1 s ILE 424 N -3.48 0.00 0.20 -1.63 -4.36 -0.85 -4.62 121.20 106.47 1wb1 s ILE 424 Ca 0.10 -0.63 -0.17 0.00 -0.26 0.00 0.00 60.65 59.69 1wb1 s ILE 424 Cb -0.02 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 42.02 1wb1 s ILE 424 CO 0.00 0.00 0.53 -0.94 0.24 0.00 0.00 174.94 174.77 1wb1 s SER 425 N -2.85 -0.24 0.27 4.36 1.04 -1.25 -0.40 113.70 114.62 1wb1 s SER 425 Ca 0.09 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1wb1 s SER 425 Cb -0.04 0.59 -0.06 0.00 0.10 0.00 0.00 66.02 66.61 1wb1 s SER 425 CO 0.00 -1.08 -0.03 0.27 0.98 0.00 0.00 173.24 173.39 1wb1 s ILE 426 N -3.89 1.39 -2.00 -1.02 -4.36 -1.26 -1.46 121.20 108.60 1wb1 s ILE 426 Ca 0.11 -2.08 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 1wb1 s ILE 426 Cb -0.01 -2.44 0.09 0.00 1.25 0.00 0.00 42.46 41.35 1wb1 s ILE 426 CO -0.01 -0.29 0.56 -0.62 0.24 0.00 0.00 174.94 174.82 1wb1 n GLU 427 N -0.53 0.15 -4.19 0.37 1.02 -1.15 -4.08 120.64 112.23 1wb1 n GLU 427 Ca -0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.75 1wb1 n GLU 427 Cb 0.64 -1.34 -0.12 0.00 -0.02 0.00 0.00 31.44 30.60 1wb1 n GLU 427 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1wb1 s GLY 428 N -1.95 1.76 0.83 0.62 0.00 -1.26 -5.09 107.32 102.23 1wb1 s GLY 428 Ca 0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 1wb1 s GLY 428 CO 0.04 0.08 1.09 -1.59 0.00 0.00 0.00 173.10 172.72 1wb1 s LYS 429 N 0.62 1.81 0.00 2.90 0.00 -1.26 -4.08 119.74 119.73 1wb1 s LYS 429 Ca -0.00 0.90 0.00 0.00 0.00 0.00 0.00 55.97 56.86 1wb1 s LYS 429 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 37.83 35.82 1wb1 s LYS 429 CO 0.02 -1.88 0.00 -0.40 0.00 0.00 0.00 175.35 173.09 1wb1 n ASP 430 N -3.65 0.00 -4.96 0.03 5.68 -1.26 -5.02 116.55 107.38 1wb1 n ASP 430 Ca 0.08 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.16 1wb1 n ASP 430 Cb 0.55 -0.92 -0.02 0.00 -1.14 0.00 0.00 41.12 39.59 1wb1 n ASP 430 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1wb1 s ILE 431 N -2.65 4.73 0.22 2.12 2.07 -1.26 -5.03 121.20 121.40 1wb1 s ILE 431 Ca 0.00 -1.05 -0.22 0.00 -1.41 0.00 0.00 60.65 57.97 1wb1 s ILE 431 Cb 0.00 -3.64 0.04 0.00 0.13 0.00 0.00 42.46 38.99 1wb1 s ILE 431 CO 0.00 -0.27 0.65 0.54 -1.91 0.00 0.00 174.94 173.95 1wb1 s VAL 432 N -2.07 0.00 0.00 4.00 0.11 -1.26 -4.12 120.40 117.06 1wb1 s VAL 432 Ca 0.38 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1wb1 s VAL 432 Cb -0.09 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 1wb1 s VAL 432 CO 0.29 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1wb1 n GLY 433 N -0.42 1.68 3.37 6.54 0.00 0.46 -2.96 105.19 113.86 1wb1 n GLY 433 Ca -0.11 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.34 1wb1 n GLY 433 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wb1 s LYS 434 N 1.20 0.28 -0.40 1.61 2.20 -1.16 -2.00 119.74 121.47 1wb1 s LYS 434 Ca 0.00 0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 55.99 1wb1 s LYS 434 Cb 0.00 0.42 -0.10 0.00 -1.51 0.00 0.00 37.83 36.64 1wb1 s LYS 434 CO 0.00 -0.12 2.29 0.44 -0.36 0.00 0.00 175.35 177.60 1wb1 n ILE 435 N 5.01 0.15 -0.07 5.43 -5.35 -1.26 -3.61 119.36 119.67 1wb1 n ILE 435 Ca -0.09 -0.39 -0.06 0.00 -0.27 0.00 0.00 62.75 61.94 1wb1 n ILE 435 Cb 0.53 -1.99 -0.04 0.00 -1.74 0.00 0.00 39.64 36.40 1wb1 n ILE 435 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1wb1 h LYS 436 N 14.44 0.00 -5.03 6.28 3.64 -1.30 -2.93 116.57 131.68 1wb1 h LYS 436 Ca -0.28 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.52 1wb1 h LYS 436 Cb 1.29 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.98 1wb1 h LYS 436 CO 1.06 0.24 -0.50 0.20 -2.27 0.00 0.00 179.45 178.19 1wb1 s GLY 437 N -4.05 2.73 -0.28 5.01 0.00 -0.59 -4.62 107.32 105.53 1wb1 s GLY 437 Ca -0.11 -1.09 -0.25 0.00 0.00 0.00 0.00 44.72 43.26 1wb1 s GLY 437 CO 0.24 -1.85 0.89 -0.51 0.00 0.00 0.00 173.10 171.86 1wb1 s THR 438 N -3.16 0.00 0.00 0.90 -4.23 -1.26 0.58 115.64 108.46 1wb1 s THR 438 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1wb1 s THR 438 Cb 0.01 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1wb1 s THR 438 CO 0.14 0.00 0.00 0.33 -0.54 0.00 0.00 174.62 174.55 1wb1 n PHE 439 N 2.45 0.00 0.00 3.99 7.35 -1.21 -4.97 117.46 125.07 1wb1 n PHE 439 Ca -0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 1wb1 n PHE 439 Cb 0.55 0.17 0.00 0.00 0.35 0.00 0.00 39.48 40.55 1wb1 n PHE 439 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1wb1 n GLY 440 N 2.80 0.00 0.40 7.13 0.00 -1.26 -4.65 105.19 109.62 1wb1 n GLY 440 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 1wb1 n GLY 440 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wb1 h THR 441 N 0.32 0.70 -3.54 2.61 1.35 -1.94 -3.33 112.91 109.07 1wb1 h THR 441 Ca 0.00 -0.04 -0.69 0.00 -0.55 0.00 0.00 66.41 65.13 1wb1 h THR 441 Cb 0.00 0.58 -0.35 0.00 -1.73 0.00 0.00 68.15 66.65 1wb1 h THR 441 CO 0.00 0.02 -0.58 -1.59 -0.25 0.00 0.00 175.52 173.12 1wb1 s LYS 442 N -5.12 2.02 -0.01 4.72 0.00 -1.26 -4.44 119.74 115.65 1wb1 s LYS 442 Ca -0.06 -1.75 -0.01 0.00 0.00 0.00 0.00 55.97 54.15 1wb1 s LYS 442 Cb 0.21 -3.51 0.00 0.00 0.00 0.00 0.00 37.83 34.53 1wb1 s LYS 442 CO 0.75 -1.00 0.02 0.41 0.00 0.00 0.00 175.35 175.53 1wb1 n GLY 443 N 4.58 0.01 3.04 0.59 0.00 0.36 -4.76 105.19 109.00 1wb1 n GLY 443 Ca -0.03 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1wb1 n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wb1 s LEU 444 N -0.11 1.63 0.28 0.99 1.43 -1.26 -4.61 118.68 117.04 1wb1 s LEU 444 Ca 0.01 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1wb1 s LEU 444 Cb -0.00 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.64 1wb1 s LEU 444 CO 0.03 -0.19 0.13 -0.76 0.23 0.00 0.00 176.35 175.78 1wb1 s LEU 445 N -0.66 1.65 -0.06 1.79 1.02 -1.13 -3.36 118.68 117.93 1wb1 s LEU 445 Ca -0.07 -1.47 -0.10 0.00 0.02 0.00 0.00 54.13 52.51 1wb1 s LEU 445 Cb -0.04 0.11 0.02 0.00 0.02 0.00 0.00 46.19 46.29 1wb1 s LEU 445 CO 0.01 -0.81 0.24 0.28 0.02 0.00 0.00 176.35 176.09 1wb1 s THR 446 N -3.69 0.03 0.19 5.49 -1.32 0.20 -1.38 115.64 115.15 1wb1 s THR 446 Ca 0.36 -0.25 -0.02 0.00 -1.21 0.00 0.00 61.69 60.58 1wb1 s THR 446 Cb 0.06 -0.43 0.01 0.00 -1.51 0.00 0.00 72.50 70.63 1wb1 s THR 446 CO 0.15 -0.14 0.27 0.00 -2.21 0.00 0.00 174.62 172.70 1wb1 n ALA 447 N 2.26 -0.26 -2.53 11.08 0.00 -1.26 -0.79 120.51 129.00 1wb1 n ALA 447 Ca -0.17 -0.83 -0.25 0.00 0.00 0.00 0.00 53.44 52.19 1wb1 n ALA 447 Cb 0.57 0.67 -0.11 0.00 0.00 0.00 0.00 19.45 20.58 1wb1 n ALA 447 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wb1 s GLU 448 N -2.38 1.81 0.00 0.00 1.03 -1.24 -4.86 118.70 113.06 1wb1 s GLU 448 Ca 0.15 -2.02 0.00 0.00 0.03 0.00 0.00 54.97 53.13 1wb1 s GLU 448 Cb -0.01 -1.23 0.00 0.00 -0.80 0.00 0.00 34.13 32.09 1wb1 s GLU 448 CO 0.10 -0.13 0.00 1.19 -1.33 0.00 0.00 175.26 175.09 1wb1 n PHE 449 N -0.83 -0.49 -1.25 4.83 3.01 -1.26 -2.99 117.46 118.48 1wb1 n PHE 449 Ca -0.04 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.44 1wb1 n PHE 449 Cb 0.67 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 40.35 1wb1 n PHE 449 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1wb1 n SER 450 N -1.11 2.98 -3.62 4.37 7.64 -1.16 -5.00 113.62 117.73 1wb1 n SER 450 Ca 0.00 -3.43 0.02 0.00 1.01 0.00 0.00 58.87 56.46 1wb1 n SER 450 Cb 0.00 -0.58 -0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1wb1 n SER 450 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wb1 s GLY 451 N -2.36 -0.42 -0.06 0.23 0.00 -1.26 -4.97 107.32 98.49 1wb1 s GLY 451 Ca 0.42 0.72 -0.30 0.00 0.00 0.00 0.00 44.72 45.57 1wb1 s GLY 451 CO 0.03 0.13 1.24 0.21 0.00 0.00 0.00 173.10 174.71 1wb1 s ASN 452 N -2.97 7.01 -0.68 1.64 3.04 -1.26 -4.91 114.94 116.81 1wb1 s ASN 452 Ca 0.14 1.85 -0.02 0.00 0.04 0.00 0.00 52.86 54.87 1wb1 s ASN 452 Cb 0.05 -2.56 0.40 0.00 -1.54 0.00 0.00 41.25 37.61 1wb1 s ASN 452 CO -0.04 -0.62 2.05 1.33 -3.04 0.00 0.00 177.10 176.78 1wb1 n VAL 453 N 4.71 3.56 0.00 -5.21 0.24 -1.26 -5.03 118.33 115.34 1wb1 n VAL 453 Ca 0.12 -3.11 0.00 0.00 -2.04 0.00 0.00 64.34 59.31 1wb1 n VAL 453 Cb 0.46 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 1wb1 n VAL 453 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wb1 n GLU 454 N -0.71 0.00 -1.03 7.34 1.02 -1.26 -4.56 120.64 121.44 1wb1 n GLU 454 Ca 0.59 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.38 1wb1 n GLU 454 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.97 1wb1 n GLU 454 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wb1 n ASN 455 N 0.00 -1.12 -1.92 1.62 5.15 -1.26 -3.35 115.26 114.38 1wb1 n ASN 455 Ca 0.00 0.80 -0.13 0.00 -0.60 0.00 0.00 54.58 54.65 1wb1 n ASN 455 Cb 0.00 -0.70 0.03 0.00 -0.53 0.00 0.00 39.78 38.58 1wb1 n ASN 455 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wb1 n ARG 456 N 0.78 -3.29 -3.18 1.20 1.74 -0.54 -4.99 116.66 108.39 1wb1 n ARG 456 Ca 0.13 0.49 -0.34 0.00 -0.77 0.00 0.00 57.85 57.35 1wb1 n ARG 456 Cb 0.20 -4.48 -0.04 0.00 -1.02 0.00 0.00 32.46 27.13 1wb1 n ARG 456 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wb1 n ASP 457 N -0.74 5.10 -1.56 0.55 10.43 -1.21 -4.84 116.55 124.28 1wb1 n ASP 457 Ca -0.04 -3.46 -0.18 0.00 2.57 0.00 0.00 54.79 53.68 1wb1 n ASP 457 Cb 0.56 -0.94 -0.01 0.00 1.84 0.00 0.00 41.12 42.56 1wb1 n ASP 457 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1wb1 n LYS 458 N 0.93 0.00 -4.16 -1.24 5.02 -1.26 -4.39 118.16 113.05 1wb1 n LYS 458 Ca 0.29 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.33 1wb1 n LYS 458 Cb 0.37 -0.39 -0.06 0.00 -0.02 0.00 0.00 35.03 34.93 1wb1 n LYS 458 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1wb1 s VAL 459 N -0.28 4.07 -0.28 -0.18 -7.23 0.15 -2.92 120.40 113.73 1wb1 s VAL 459 Ca 0.25 -1.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1wb1 s VAL 459 Cb -0.35 -3.11 0.07 0.00 0.56 0.00 0.00 36.38 33.55 1wb1 s VAL 459 CO 0.20 -0.20 -0.04 0.27 -0.31 0.00 0.00 175.10 175.01 1wb1 s ILE 460 N -1.91 2.00 -0.52 -0.62 -4.36 -0.54 -2.35 121.20 112.91 1wb1 s ILE 460 Ca 0.30 -1.73 -0.22 0.00 -0.26 0.00 0.00 60.65 58.74 1wb1 s ILE 460 Cb -0.09 -2.26 0.05 0.00 1.25 0.00 0.00 42.46 41.41 1wb1 s ILE 460 CO 0.22 -0.23 0.77 -0.22 0.24 0.00 0.00 174.94 175.71 1wb1 s LEU 461 N 1.13 4.52 -0.26 0.37 2.96 -0.56 -3.80 118.68 123.04 1wb1 s LEU 461 Ca -0.02 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 1wb1 s LEU 461 Cb -0.19 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 1wb1 s LEU 461 CO -0.07 -1.03 0.04 0.21 -1.32 0.00 0.00 176.35 174.18 1wb1 s ASN 462 N 2.67 4.91 0.13 3.68 2.47 -1.26 -1.32 114.94 126.22 1wb1 s ASN 462 Ca 0.23 -0.44 0.05 0.00 0.42 0.00 0.00 52.86 53.12 1wb1 s ASN 462 Cb -0.16 -1.86 -0.04 0.00 -1.45 0.00 0.00 41.25 37.75 1wb1 s ASN 462 CO 0.16 -0.09 -0.12 -0.13 -3.72 0.00 0.00 177.10 173.21 1wb1 s ARG 463 N 1.54 0.99 -0.86 0.43 0.52 -1.17 -4.99 118.95 115.41 1wb1 s ARG 463 Ca 0.05 -1.29 -0.04 0.00 -0.52 0.00 0.00 55.73 53.93 1wb1 s ARG 463 Cb -0.16 -0.73 0.14 0.00 0.52 0.00 0.00 34.95 34.72 1wb1 s ARG 463 CO 0.01 0.12 2.47 1.28 0.02 0.00 0.00 175.30 179.20 1wb1 n LEU 464 N 0.30 7.24 0.00 2.53 4.77 -1.26 -1.32 117.00 129.25 1wb1 n LEU 464 Ca -0.14 -4.57 0.00 0.00 -0.03 0.00 0.00 56.01 51.27 1wb1 n LEU 464 Cb 0.58 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1wb1 n LEU 464 CO 0.29 1.89 0.24 -1.14 -1.33 0.00 0.00 177.39 177.33 1wb1 n ARG 465 N 0.94 0.00 -1.54 3.23 3.00 -1.26 -4.39 116.66 116.63 1wb1 n ARG 465 Ca 0.54 0.48 -0.29 0.00 -0.00 0.00 0.00 57.85 58.58 1wb1 n ARG 465 Cb 0.38 -0.79 -0.07 0.00 0.00 0.00 0.00 32.46 31.98 1wb1 n ARG 465 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1wb1 n ARG 466 N -1.85 0.72 -2.06 -0.14 0.63 -1.26 -4.77 116.66 107.93 1wb1 n ARG 466 Ca 0.00 -0.24 -0.28 0.00 -0.92 0.00 0.00 57.85 56.41 1wb1 n ARG 466 Cb 0.00 -3.13 0.06 0.00 0.45 0.00 0.00 32.46 29.83 1wb1 n ARG 466 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wb1 s TRP 467 N 11.85 3.16 0.00 -0.14 0.52 -1.26 -3.58 118.94 129.49 1wb1 s TRP 467 Ca 1.03 0.79 0.00 0.00 0.02 0.00 0.00 56.10 57.94 1wb1 s TRP 467 Cb -0.34 -3.11 0.00 0.00 -1.15 0.00 0.00 33.47 28.88 1wb1 s TRP 467 CO 0.26 -1.26 0.00 0.41 0.02 0.00 0.00 176.95 176.37