#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbj n ASP 1 N 0.00 0.00 0.00 7.83 4.64 -1.26 -5.13 116.55 122.63 2wbj n ASP 1 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2wbj n ASP 1 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2wbj n ASP 1 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2wbj n PHE 2 N 0.00 0.00 -1.64 -0.67 0.99 -1.26 -4.97 117.46 109.91 2wbj n PHE 2 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.00 2wbj n PHE 2 Cb 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 39.48 38.45 2wbj n PHE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wbj n ALA 3 N -1.34 0.51 -2.86 4.37 0.00 -1.26 -4.95 120.51 114.98 2wbj n ALA 3 Ca 0.00 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 2wbj n ALA 3 Cb 0.00 -2.18 -0.11 0.00 0.00 0.00 0.00 19.45 17.16 2wbj n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wbj s ARG 4 N -0.76 3.67 -0.04 0.00 1.81 -1.26 -5.07 118.95 117.30 2wbj s ARG 4 Ca 0.66 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.94 2wbj s ARG 4 Cb -0.69 -3.00 -0.05 0.00 -0.45 0.00 0.00 34.95 30.75 2wbj s ARG 4 CO 0.53 0.33 1.49 0.08 -0.68 0.00 0.00 175.30 177.05 2wbj s VAL 5 N 0.15 3.71 0.54 3.52 1.01 -1.26 -5.02 120.40 123.04 2wbj s VAL 5 Ca 0.01 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 62.81 2wbj s VAL 5 Cb -0.13 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2wbj s VAL 5 CO 0.02 -0.05 1.01 -1.00 0.00 0.00 0.00 175.10 175.08 2wbj s HIS 6 N 3.21 3.33 0.13 5.22 3.76 -1.26 -5.07 115.29 124.61 2wbj s HIS 6 Ca 0.67 1.48 0.09 0.00 -0.15 0.00 0.00 55.06 57.15 2wbj s HIS 6 Cb -0.31 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.49 2wbj s HIS 6 CO 0.26 -0.57 -0.22 -0.59 -0.85 0.00 0.00 174.74 172.76 2wbj s PHE 7 N -2.58 1.99 -0.08 1.40 -0.12 -1.26 -4.93 117.98 112.41 2wbj s PHE 7 Ca 0.60 -0.41 -0.30 0.00 -0.05 0.00 0.00 56.93 56.77 2wbj s PHE 7 Cb -0.12 -1.06 -0.02 0.00 -0.63 0.00 0.00 43.02 41.19 2wbj s PHE 7 CO 0.33 0.30 1.13 0.42 -0.05 0.00 0.00 175.22 177.35 2wbj s ILE 8 N -1.36 4.45 0.15 -4.49 1.09 -1.26 -0.39 121.20 119.40 2wbj s ILE 8 Ca 0.12 1.76 -0.31 0.00 -1.10 0.00 0.00 60.65 61.11 2wbj s ILE 8 Cb -0.09 -4.13 -0.10 0.00 -1.06 0.00 0.00 42.46 37.08 2wbj s ILE 8 CO 0.06 -0.00 1.63 -0.55 -0.10 0.00 0.00 174.94 175.97 2wbj s SER 9 N 1.34 6.55 0.14 3.58 0.15 -1.26 -4.96 113.70 119.24 2wbj s SER 9 Ca 0.53 2.64 -0.31 0.00 0.70 0.00 0.00 55.95 59.51 2wbj s SER 9 Cb -0.22 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.42 2wbj s SER 9 CO 0.20 -0.87 1.37 0.00 1.20 0.00 0.00 173.24 175.14 2wbj s ALA 10 N 1.54 3.58 0.40 5.45 0.00 -1.26 -5.00 121.76 126.46 2wbj s ALA 10 Ca 0.72 1.12 -0.17 0.00 0.00 0.00 0.00 51.96 53.63 2wbj s ALA 10 Cb -0.44 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.06 2wbj s ALA 10 CO 0.32 -0.60 0.86 -0.51 0.00 0.00 0.00 175.76 175.83 2wbj s LEU 11 N 0.77 3.94 -0.03 0.00 1.43 -1.26 -5.04 118.68 118.49 2wbj s LEU 11 Ca 0.63 1.48 -0.26 0.00 -1.03 0.00 0.00 54.13 54.94 2wbj s LEU 11 Cb -0.37 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 2wbj s LEU 11 CO 0.32 -0.33 0.82 -1.00 0.23 0.00 0.00 176.35 176.39 2wbj s HIS 12 N -2.17 3.62 0.83 0.29 3.76 -1.26 -5.04 115.29 115.32 2wbj s HIS 12 Ca 0.58 1.45 -0.11 0.00 -0.15 0.00 0.00 55.06 56.83 2wbj s HIS 12 Cb -0.10 -2.93 0.09 0.00 1.11 0.00 0.00 32.58 30.75 2wbj s HIS 12 CO 0.18 0.06 1.10 0.20 -0.85 0.00 0.00 174.74 175.43 2wbj s GLY 13 N 0.81 1.66 0.23 -2.22 0.00 -1.26 -4.87 107.32 101.66 2wbj s GLY 13 Ca 0.43 0.23 -0.32 0.00 0.00 0.00 0.00 44.72 45.07 2wbj s GLY 13 CO 0.23 0.63 1.52 -1.26 0.00 0.00 0.00 173.10 174.22 2wbj n SER 14 N -3.75 3.20 0.00 1.64 2.88 -1.26 -1.09 113.62 115.25 2wbj n SER 14 Ca 0.09 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2wbj n SER 14 Cb 0.53 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2wbj n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wbj n GLY 15 N 2.67 2.25 0.00 0.46 0.00 -1.26 -5.10 105.19 104.22 2wbj n GLY 15 Ca 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2wbj n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbj n GLY 16 N 0.00 -0.40 3.15 -0.02 0.00 -0.25 -5.11 105.19 102.56 2wbj n GLY 16 Ca 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.35 2wbj n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wbj s GLY 17 N -2.63 -0.67 0.00 -0.02 0.00 -1.26 -4.81 107.32 97.93 2wbj s GLY 17 Ca 0.00 2.54 0.00 0.00 0.00 0.00 0.00 44.72 47.26 2wbj s GLY 17 CO 0.00 4.14 0.00 1.44 0.00 0.00 0.00 173.10 178.68 2wbj n SER 18 N 5.15 0.00 0.00 1.64 7.64 -1.26 -4.90 113.62 121.90 2wbj n SER 18 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2wbj n SER 18 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2wbj n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wbj n GLY 19 N 0.00 0.30 0.00 0.23 0.00 -1.26 -3.85 105.19 100.61 2wbj n GLY 19 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2wbj n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbj n GLY 20 N 0.00 0.27 0.00 -0.02 0.00 -1.26 -4.97 105.19 99.21 2wbj n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wbj n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbj n GLY 21 N 1.67 0.73 0.92 -0.02 0.00 -1.25 -5.06 105.19 102.19 2wbj n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wbj n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbj n GLY 22 N 4.96 0.87 0.00 -0.02 0.00 -1.26 -5.00 105.19 104.75 2wbj n GLY 22 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2wbj n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbj n GLY 23 N -0.92 2.08 3.31 -0.02 0.00 -1.26 -5.16 105.19 103.22 2wbj n GLY 23 Ca 0.00 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.56 2wbj n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbj s ALA 24 N -1.87 -2.92 -0.01 4.61 0.00 -1.26 -4.40 121.76 115.91 2wbj s ALA 24 Ca 0.00 1.87 0.06 0.00 0.00 0.00 0.00 51.96 53.89 2wbj s ALA 24 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 2wbj s ALA 24 CO 0.00 -1.09 -0.18 0.14 0.00 0.00 0.00 175.76 174.63 2wbj s VAL 25 N 2.54 1.42 0.02 0.00 -7.23 -1.26 -5.01 120.40 110.89 2wbj s VAL 25 Ca -0.01 -0.80 0.06 0.00 -1.81 0.00 0.00 61.98 59.42 2wbj s VAL 25 Cb -0.07 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 2wbj s VAL 25 CO -0.16 0.38 -0.14 0.68 -0.31 0.00 0.00 175.10 175.54 2wbj s VAL 26 N -0.45 3.06 -0.07 1.32 -7.23 -1.26 -2.10 120.40 113.66 2wbj s VAL 26 Ca 0.07 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.24 2wbj s VAL 26 Cb -0.07 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2wbj s VAL 26 CO -0.00 0.37 -0.20 -0.94 -0.31 0.00 0.00 175.10 174.01 2wbj s SER 27 N -1.39 3.49 -0.16 4.85 1.04 0.33 -4.39 113.70 117.46 2wbj s SER 27 Ca 0.15 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.20 2wbj s SER 27 Cb -0.11 -0.98 0.02 0.00 0.10 0.00 0.00 66.02 65.05 2wbj s SER 27 CO 0.06 0.26 -0.19 -1.58 0.98 0.00 0.00 173.24 172.76 2wbj s GLN 28 N -0.22 2.80 -0.03 4.02 0.74 -1.26 -1.15 119.66 124.56 2wbj s GLN 28 Ca -0.01 -0.76 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 2wbj s GLN 28 Cb -0.13 -2.39 0.03 0.00 1.10 0.00 0.00 33.01 31.62 2wbj s GLN 28 CO 0.03 -0.16 0.07 -1.01 -0.55 0.00 0.00 175.29 173.67 2wbj s HIS 29 N 1.19 -0.03 0.55 1.67 3.76 -0.76 -4.25 115.29 117.42 2wbj s HIS 29 Ca 0.01 0.24 -0.06 0.00 -0.15 0.00 0.00 55.06 55.10 2wbj s HIS 29 Cb -0.14 -0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.35 2wbj s HIS 29 CO -0.09 -0.11 0.86 -1.25 -0.85 0.00 0.00 174.74 173.30 2wbj s PRO 30 N 1.12 3.17 0.03 8.40 0.04 -1.26 -0.97 135.00 145.53 2wbj s PRO 30 Ca -0.09 0.09 -0.15 0.00 0.04 0.00 0.00 61.00 60.89 2wbj s PRO 30 Cb -0.13 -2.31 -0.35 0.00 0.04 0.00 0.00 34.50 31.76 2wbj s PRO 30 CO -0.04 -0.51 0.98 0.77 0.04 0.00 0.00 177.00 178.24 2wbj h SER 31 N -0.03 0.81 -4.31 6.66 0.02 -1.80 -3.42 113.55 111.49 2wbj h SER 31 Ca -0.46 -0.89 -0.49 0.00 -0.84 0.00 0.00 61.79 59.11 2wbj h SER 31 Cb 1.23 -0.26 -0.25 0.00 0.14 0.00 0.00 62.40 63.27 2wbj h SER 31 CO 0.61 1.70 -0.81 0.26 -1.14 0.00 0.00 176.83 177.45 2wbj s TRP 32 N -2.60 1.44 -0.00 3.45 0.52 -1.26 -0.64 118.94 119.85 2wbj s TRP 32 Ca -0.09 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.68 2wbj s TRP 32 Cb 0.04 -0.85 -0.00 0.00 -1.15 0.00 0.00 33.47 31.51 2wbj s TRP 32 CO 0.94 0.06 -0.06 0.08 0.02 0.00 0.00 176.95 178.00 2wbj s VAL 33 N -0.87 0.44 -0.17 4.03 1.01 -1.15 -4.94 120.40 118.75 2wbj s VAL 33 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2wbj s VAL 33 Cb -0.08 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 35.97 2wbj s VAL 33 CO 0.02 0.12 -0.04 -0.63 0.00 0.00 0.00 175.10 174.57 2wbj s ILE 34 N -0.15 1.00 0.12 2.22 1.09 -1.26 -2.01 121.20 122.21 2wbj s ILE 34 Ca 0.02 -0.59 0.07 0.00 -1.10 0.00 0.00 60.65 59.04 2wbj s ILE 34 Cb -0.02 -1.22 -0.04 0.00 -1.06 0.00 0.00 42.46 40.12 2wbj s ILE 34 CO -0.00 0.08 -0.16 -0.94 -0.10 0.00 0.00 174.94 173.82 2wbj s SER 35 N 1.68 2.15 0.26 3.58 1.04 -1.20 -4.98 113.70 116.23 2wbj s SER 35 Ca 0.00 -0.76 -0.30 0.00 0.48 0.00 0.00 55.95 55.38 2wbj s SER 35 Cb -0.15 -0.09 -0.09 0.00 0.10 0.00 0.00 66.02 65.78 2wbj s SER 35 CO -0.07 -0.07 1.12 -0.75 0.98 0.00 0.00 173.24 174.44 2wbj s LYS 36 N -2.36 4.61 0.08 4.02 2.20 -1.26 -1.98 119.74 125.05 2wbj s LYS 36 Ca 0.07 1.82 -0.30 0.00 -0.36 0.00 0.00 55.97 57.20 2wbj s LYS 36 Cb -0.07 -3.20 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 2wbj s LYS 36 CO 0.04 0.15 1.89 -1.54 -0.36 0.00 0.00 175.35 175.53 2wbj s SER 37 N -0.69 6.44 0.00 1.43 1.04 -0.39 -1.90 113.70 119.64 2wbj s SER 37 Ca 0.46 2.70 0.00 0.00 0.48 0.00 0.00 55.95 59.59 2wbj s SER 37 Cb -0.32 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.25 2wbj s SER 37 CO 0.41 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2wbj n GLY 38 N 4.38 1.96 3.92 7.32 0.00 -0.34 -4.99 105.19 117.44 2wbj n GLY 38 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2wbj n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wbj s THR 39 N -2.12 5.25 0.41 2.61 -4.23 -0.80 -4.85 115.64 111.91 2wbj s THR 39 Ca 0.00 -0.34 -0.23 0.00 -1.18 0.00 0.00 61.69 59.94 2wbj s THR 39 Cb 0.00 -3.70 -0.09 0.00 1.34 0.00 0.00 72.50 70.05 2wbj s THR 39 CO 0.00 -0.06 1.01 -0.94 -0.54 0.00 0.00 174.62 174.08 2wbj s SER 40 N -2.92 6.81 -0.08 3.99 1.04 -1.23 -4.22 113.70 117.09 2wbj s SER 40 Ca 0.38 1.91 0.04 0.00 0.48 0.00 0.00 55.95 58.75 2wbj s SER 40 Cb -0.12 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2wbj s SER 40 CO 0.28 -0.45 -0.20 -0.69 0.98 0.00 0.00 173.24 173.16 2wbj s VAL 41 N -1.83 1.71 -0.16 5.02 1.01 -0.81 -5.00 120.40 120.34 2wbj s VAL 41 Ca 0.59 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2wbj s VAL 41 Cb -0.17 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2wbj s VAL 41 CO 0.22 0.48 -0.21 -0.75 0.00 0.00 0.00 175.10 174.84 2wbj s LYS 42 N 0.40 3.01 -0.10 2.72 2.20 -1.26 -0.44 119.74 126.27 2wbj s LYS 42 Ca -0.16 -0.84 0.04 0.00 -0.36 0.00 0.00 55.97 54.65 2wbj s LYS 42 Cb -0.17 -2.49 -0.00 0.00 -1.51 0.00 0.00 37.83 33.66 2wbj s LYS 42 CO 0.07 -0.09 -0.23 0.42 -0.36 0.00 0.00 175.35 175.16 2wbj s ILE 43 N 0.99 2.17 -0.13 5.43 1.01 0.99 -4.52 121.20 127.14 2wbj s ILE 43 Ca -0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 2wbj s ILE 43 Cb -0.15 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2wbj s ILE 43 CO -0.06 0.56 0.06 -1.61 0.00 0.00 0.00 174.94 173.88 2wbj s GLU 44 N 0.29 3.51 -0.24 2.79 2.02 -0.14 -0.99 118.70 125.94 2wbj s GLU 44 Ca -0.17 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.53 2wbj s GLU 44 Cb -0.17 -3.06 0.05 0.00 0.10 0.00 0.00 34.13 31.05 2wbj s GLU 44 CO 0.08 0.54 -0.12 0.00 0.02 0.00 0.00 175.26 175.77 2wbj s ARG 46 N 1.18 2.76 -0.14 0.00 0.52 -0.30 -1.06 118.95 121.92 2wbj s ARG 46 Ca -0.06 -0.81 -0.16 0.00 -0.52 0.00 0.00 55.73 54.19 2wbj s ARG 46 Cb -0.18 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 2wbj s ARG 46 CO -0.07 0.39 0.39 -1.54 0.02 0.00 0.00 175.30 174.49 2wbj s SER 47 N -0.14 6.58 -0.21 0.23 1.04 0.04 -0.52 113.70 120.71 2wbj s SER 47 Ca -0.03 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.04 2wbj s SER 47 Cb -0.14 -2.24 -0.12 0.00 0.10 0.00 0.00 66.02 63.63 2wbj s SER 47 CO 0.04 0.05 -0.23 0.18 0.98 0.00 0.00 173.24 174.26 2wbj n LEU 48 N 3.60 2.36 0.10 2.42 4.77 -0.89 -4.63 117.00 124.74 2wbj n LEU 48 Ca -0.09 0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.06 2wbj n LEU 48 Cb 0.52 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2wbj n LEU 48 CO 0.42 0.68 0.02 0.47 -1.33 0.00 0.00 177.39 177.64 2wbj n ASP 49 N -3.48 0.84 -3.47 -1.43 8.00 -1.26 -5.00 116.55 110.75 2wbj n ASP 49 Ca -0.39 0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.25 2wbj n ASP 49 Cb 0.85 0.46 -0.08 0.00 -0.02 0.00 0.00 41.12 42.33 2wbj n ASP 49 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2wbj s PHE 50 N -3.36 1.62 -0.08 1.24 -0.12 -1.26 -4.85 117.98 111.15 2wbj s PHE 50 Ca -0.00 -1.59 0.04 0.00 -0.05 0.00 0.00 56.93 55.32 2wbj s PHE 50 Cb 0.10 -0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 41.83 2wbj s PHE 50 CO 0.79 -0.86 -0.21 -0.65 -0.05 0.00 0.00 175.22 174.24 2wbj s GLN 51 N -3.52 2.87 -0.15 1.99 -0.21 -1.26 -4.78 119.66 114.61 2wbj s GLN 51 Ca 0.40 -0.84 -0.00 0.00 0.02 0.00 0.00 55.36 54.94 2wbj s GLN 51 Cb 0.03 -2.31 -0.01 0.00 1.00 0.00 0.00 33.01 31.72 2wbj s GLN 51 CO 0.25 0.31 -0.14 0.00 -2.12 0.00 0.00 175.29 173.59 2wbj s ALA 52 N 0.05 2.55 -0.63 6.09 0.00 -0.99 -2.41 121.76 126.42 2wbj s ALA 52 Ca -0.09 -0.99 0.25 0.00 0.00 0.00 0.00 51.96 51.14 2wbj s ALA 52 Cb -0.15 -1.23 0.71 0.00 0.00 0.00 0.00 23.12 22.44 2wbj s ALA 52 CO 0.05 0.07 1.74 0.00 0.00 0.00 0.00 175.76 177.62 2wbj h THR 53 N 5.56 0.00 -2.32 0.00 1.03 -1.84 -3.38 112.91 111.96 2wbj h THR 53 Ca -0.30 -0.60 -0.05 0.00 -0.01 0.00 0.00 66.41 65.46 2wbj h THR 53 Cb 1.20 1.58 -0.24 0.00 -1.07 0.00 0.00 68.15 69.63 2wbj h THR 53 CO 0.56 0.00 -0.15 -0.89 -0.01 0.00 0.00 175.52 175.04 2wbj s THR 54 N -3.15 -0.06 0.22 0.00 2.01 -1.26 -2.31 115.64 111.09 2wbj s THR 54 Ca 0.09 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.20 2wbj s THR 54 Cb 0.10 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 2wbj s THR 54 CO 0.60 0.02 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.42 2wbj s MET 55 N 1.59 1.33 -0.04 4.92 -1.94 -0.43 -2.61 119.30 122.12 2wbj s MET 55 Ca -0.09 -1.62 0.01 0.00 -1.71 0.00 0.00 55.69 52.27 2wbj s MET 55 Cb -0.07 -0.95 0.02 0.00 2.01 0.00 0.00 34.83 35.84 2wbj s MET 55 CO -0.16 0.08 -0.06 -0.06 -0.01 0.00 0.00 175.02 174.81 2wbj s PHE 56 N -3.12 0.87 -0.22 -0.03 0.40 0.84 0.19 117.98 116.91 2wbj s PHE 56 Ca 0.24 -0.26 -0.06 0.00 -0.60 0.00 0.00 56.93 56.25 2wbj s PHE 56 Cb 0.02 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 2wbj s PHE 56 CO 0.07 -0.19 0.02 -1.58 0.70 0.00 0.00 175.22 174.24 2wbj s TRP 57 N 0.78 3.04 -0.03 0.36 0.52 -0.89 -0.86 118.94 121.86 2wbj s TRP 57 Ca -0.11 -0.54 0.03 0.00 0.02 0.00 0.00 56.10 55.50 2wbj s TRP 57 Cb -0.14 -2.15 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 2wbj s TRP 57 CO 0.01 -0.35 -0.11 0.71 0.02 0.00 0.00 176.95 177.23 2wbj s TYR 58 N 1.33 2.78 0.05 -1.98 1.51 0.11 -1.36 117.35 119.80 2wbj s TYR 58 Ca 0.04 -0.10 0.08 0.00 -1.01 0.00 0.00 57.07 56.08 2wbj s TYR 58 Cb -0.15 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 2wbj s TYR 58 CO 0.01 0.27 -0.20 0.50 -1.11 0.00 0.00 175.55 175.02 2wbj s ARG 59 N -0.97 1.97 -0.06 -0.62 3.52 0.34 -1.32 118.95 121.80 2wbj s ARG 59 Ca 0.13 -1.03 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 2wbj s ARG 59 Cb -0.11 -2.13 0.04 0.00 -1.56 0.00 0.00 34.95 31.19 2wbj s ARG 59 CO 0.03 0.53 0.14 -1.14 -0.81 0.00 0.00 175.30 174.05 2wbj s GLN 60 N -1.44 0.09 0.12 5.12 0.74 0.41 -0.24 119.66 124.47 2wbj s GLN 60 Ca 0.14 0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.93 2wbj s GLN 60 Cb -0.10 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.80 2wbj s GLN 60 CO 0.05 -0.16 0.23 -0.06 -0.55 0.00 0.00 175.29 174.80 2wbj s PHE 61 N 1.11 3.43 0.03 1.67 0.40 -1.26 -1.19 117.98 122.16 2wbj s PHE 61 Ca -0.09 0.14 -0.06 0.00 -0.60 0.00 0.00 56.93 56.32 2wbj s PHE 61 Cb -0.11 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 2wbj s PHE 61 CO -0.06 0.54 0.40 -2.30 0.70 0.00 0.00 175.22 174.51 2wbj n PRO 62 N -0.19 -0.08 0.09 0.24 -0.02 -1.26 -1.33 135.00 132.45 2wbj n PRO 62 Ca -0.07 0.40 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 2wbj n PRO 62 Cb 0.53 -0.59 -0.15 0.00 -0.02 0.00 0.00 33.50 33.27 2wbj n PRO 62 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wbj h LYS 63 N 0.00 0.42 0.00 -0.52 6.56 -2.05 -3.49 116.57 117.50 2wbj h LYS 63 Ca 0.03 -0.73 -0.21 0.00 -1.06 0.00 0.00 60.65 58.69 2wbj h LYS 63 Cb 0.08 0.27 0.08 0.00 -0.57 0.00 0.00 32.23 32.09 2wbj h LYS 63 CO -0.18 1.35 0.20 0.00 -2.06 0.00 0.00 179.45 178.76 2wbj n GLN 64 N -3.73 -0.63 -2.64 3.15 0.00 -0.44 -5.08 117.38 108.01 2wbj n GLN 64 Ca -0.21 -0.99 -0.23 0.00 0.00 0.00 0.00 57.00 55.56 2wbj n GLN 64 Cb 1.04 -0.66 0.11 0.00 0.00 0.00 0.00 30.24 30.73 2wbj n GLN 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2wbj s SER 65 N -3.35 4.34 -0.35 2.61 0.15 -1.26 -4.55 113.70 111.30 2wbj s SER 65 Ca 0.36 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 56.25 2wbj s SER 65 Cb -0.01 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2wbj s SER 65 CO 0.25 -1.87 1.10 -0.76 1.20 0.00 0.00 173.24 173.16 2wbj s LEU 66 N -5.12 3.88 -0.24 3.45 1.43 -1.26 -4.47 118.68 116.35 2wbj s LEU 66 Ca 0.67 0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 54.52 2wbj s LEU 66 Cb -0.05 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 2wbj s LEU 66 CO 0.44 -0.96 0.61 -0.04 0.23 0.00 0.00 176.35 176.63 2wbj s MET 67 N 3.82 4.14 0.31 1.70 -1.94 0.66 -4.92 119.30 123.07 2wbj s MET 67 Ca 0.46 0.53 -0.29 0.00 -1.71 0.00 0.00 55.69 54.68 2wbj s MET 67 Cb -0.11 -3.62 -0.10 0.00 2.01 0.00 0.00 34.83 33.00 2wbj s MET 67 CO 0.19 -0.34 1.34 -1.17 -0.01 0.00 0.00 175.02 175.02 2wbj s LEU 68 N 2.26 4.41 0.01 -0.03 1.98 -1.26 -0.51 118.68 125.54 2wbj s LEU 68 Ca 0.26 2.68 0.00 0.00 -2.89 0.00 0.00 54.13 54.18 2wbj s LEU 68 Cb -0.16 -3.64 0.00 0.00 0.66 0.00 0.00 46.19 43.05 2wbj s LEU 68 CO 0.09 -0.58 0.00 0.23 -1.89 0.00 0.00 176.35 174.20 2wbj n MET 69 N 1.20 0.00 -3.97 1.98 2.81 -0.46 -4.71 117.12 113.96 2wbj n MET 69 Ca 0.02 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.82 2wbj n MET 69 Cb 0.41 -0.46 -0.10 0.00 -0.71 0.00 0.00 33.22 32.37 2wbj n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wbj s ALA 70 N -2.00 0.09 -0.18 3.04 0.00 -1.22 0.01 121.76 121.50 2wbj s ALA 70 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 2wbj s ALA 70 Cb 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2wbj s ALA 70 CO 0.00 -0.32 0.01 0.99 0.00 0.00 0.00 175.76 176.45 2wbj s THR 71 N -2.80 4.26 -0.10 0.00 2.01 -1.19 -2.09 115.64 115.72 2wbj s THR 71 Ca -0.03 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 2wbj s THR 71 Cb -0.00 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2wbj s THR 71 CO -0.06 0.45 0.21 -0.94 -0.69 0.00 0.00 174.62 173.59 2wbj s SER 72 N 0.60 6.47 -0.05 3.53 1.04 0.13 -4.19 113.70 121.23 2wbj s SER 72 Ca 0.00 0.56 0.03 0.00 0.48 0.00 0.00 55.95 57.01 2wbj s SER 72 Cb -0.14 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.87 2wbj s SER 72 CO 0.02 0.35 -0.11 0.20 0.98 0.00 0.00 173.24 174.68 2wbj s ASN 73 N -0.81 1.58 -0.57 7.02 -0.87 -1.25 -1.31 114.94 118.73 2wbj s ASN 73 Ca 0.16 -0.26 -0.27 0.00 -1.57 0.00 0.00 52.86 50.92 2wbj s ASN 73 Cb -0.13 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.25 40.41 2wbj s ASN 73 CO 0.05 0.06 2.46 1.21 -2.57 0.00 0.00 177.10 178.31 2wbj n GLU 74 N 3.55 0.87 -2.26 -0.60 4.07 -0.98 -3.90 120.64 121.40 2wbj n GLU 74 Ca -0.21 0.03 -0.01 0.00 -0.06 0.00 0.00 57.16 56.91 2wbj n GLU 74 Cb 0.53 -3.01 0.00 0.00 -0.06 0.00 0.00 31.44 28.89 2wbj n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wbj n GLY 75 N 6.12 -3.33 1.37 8.31 0.00 -1.23 -4.99 105.19 111.44 2wbj n GLY 75 Ca 0.43 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2wbj n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wbj n SER 76 N 0.31 0.13 -4.70 1.61 7.64 -1.25 -5.16 113.62 112.20 2wbj n SER 76 Ca 0.01 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 2wbj n SER 76 Cb 0.05 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.38 2wbj n SER 76 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2wbj s LYS 77 N -1.76 1.55 0.00 1.43 3.01 -1.26 -4.37 119.74 118.34 2wbj s LYS 77 Ca 0.00 1.68 0.18 0.00 -1.01 0.00 0.00 55.97 56.82 2wbj s LYS 77 Cb 0.00 -1.77 -0.16 0.00 -1.01 0.00 0.00 37.83 34.89 2wbj s LYS 77 CO 0.00 -2.27 0.80 0.00 0.51 0.00 0.00 175.35 174.39 2wbj n ALA 78 N -3.49 4.16 -0.68 5.17 0.00 -1.26 -3.95 120.51 120.47 2wbj n ALA 78 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2wbj n ALA 78 Cb 0.51 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2wbj n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wbj n THR 79 N -1.18 0.00 -1.20 0.00 -1.04 -1.26 -3.19 114.28 106.42 2wbj n THR 79 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2wbj n THR 79 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2wbj n THR 79 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wbj n TYR 80 N 0.00 -2.18 -1.48 -1.42 4.01 -1.26 -5.00 117.16 109.83 2wbj n TYR 80 Ca 0.00 1.32 -0.34 0.00 -0.16 0.00 0.00 57.90 58.71 2wbj n TYR 80 Cb 0.00 -2.75 0.09 0.00 -0.31 0.00 0.00 39.34 36.37 2wbj n TYR 80 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2wbj s GLU 81 N -1.95 2.23 -0.26 -0.72 2.56 0.10 -4.96 118.70 115.71 2wbj s GLU 81 Ca 0.00 1.71 -0.25 0.00 0.00 0.00 0.00 54.97 56.43 2wbj s GLU 81 Cb 0.00 -1.85 -0.00 0.00 2.00 0.00 0.00 34.13 34.28 2wbj s GLU 81 CO 0.00 -1.75 0.86 -1.14 -0.56 0.00 0.00 175.26 172.67 2wbj s GLN 82 N -3.93 4.15 0.00 4.30 0.74 -1.26 -4.57 119.66 119.09 2wbj s GLN 82 Ca 0.73 0.94 0.00 0.00 0.05 0.00 0.00 55.36 57.08 2wbj s GLN 82 Cb -0.28 -3.66 0.00 0.00 1.10 0.00 0.00 33.01 30.17 2wbj s GLN 82 CO 0.45 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 2wbj n GLY 83 N 3.78 1.97 0.00 2.59 0.00 -1.26 -5.13 105.19 107.14 2wbj n GLY 83 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2wbj n GLY 83 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wbj n VAL 84 N -0.32 0.00 1.49 1.61 0.31 -1.26 -5.10 118.33 115.05 2wbj n VAL 84 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wbj n VAL 84 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wbj n VAL 84 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wbj n GLU 85 N 0.00 0.91 0.00 5.55 4.07 -1.26 -4.85 120.64 125.06 2wbj n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wbj n GLU 85 Cb 0.00 -1.16 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2wbj n GLU 85 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2wbj n LYS 86 N -0.30 0.00 -3.12 5.31 4.81 -1.26 -2.49 118.16 121.10 2wbj n LYS 86 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 2wbj n LYS 86 Cb 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.10 2wbj n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wbj n ASP 87 N 2.31 1.88 -0.10 3.14 8.00 -1.26 -4.48 116.55 126.03 2wbj n ASP 87 Ca 0.00 -3.20 0.11 0.00 0.71 0.00 0.00 54.79 52.42 2wbj n ASP 87 Cb 0.00 -0.60 0.12 0.00 -0.02 0.00 0.00 41.12 40.61 2wbj n ASP 87 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2wbj n LYS 88 N 0.17 0.29 -4.20 -1.24 2.85 -1.04 -4.95 118.16 110.04 2wbj n LYS 88 Ca 0.27 -0.21 -0.14 0.00 -1.05 0.00 0.00 58.31 57.19 2wbj n LYS 88 Cb 0.58 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.36 2wbj n LYS 88 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2wbj s PHE 89 N -2.85 1.10 -0.07 5.58 -0.71 -1.26 -0.49 117.98 119.27 2wbj s PHE 89 Ca 0.13 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.30 2wbj s PHE 89 Cb 0.17 -0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 41.37 2wbj s PHE 89 CO 0.71 0.00 -0.13 -0.51 -1.34 0.00 0.00 175.22 173.95 2wbj s LEU 90 N -2.83 2.76 -0.16 -1.99 1.43 0.63 -4.91 118.68 113.61 2wbj s LEU 90 Ca 0.11 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2wbj s LEU 90 Cb 0.01 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2wbj s LEU 90 CO -0.01 0.29 -0.08 -0.63 0.23 0.00 0.00 176.35 176.16 2wbj s ILE 91 N -0.41 3.41 -0.23 -0.59 -1.09 -1.26 -0.94 121.20 120.09 2wbj s ILE 91 Ca 0.05 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 57.95 2wbj s ILE 91 Cb -0.12 -2.48 0.03 0.00 -1.58 0.00 0.00 42.46 38.31 2wbj s ILE 91 CO 0.02 0.49 -0.13 0.21 -1.23 0.00 0.00 174.94 174.31 2wbj s ASN 92 N 0.59 3.91 -0.34 3.58 3.04 -0.04 -4.92 114.94 120.76 2wbj s ASN 92 Ca -0.05 -0.93 0.01 0.00 0.04 0.00 0.00 52.86 51.94 2wbj s ASN 92 Cb -0.15 -1.56 0.11 0.00 -1.54 0.00 0.00 41.25 38.10 2wbj s ASN 92 CO 0.03 -0.10 0.10 -2.28 -3.04 0.00 0.00 177.10 171.82 2wbj s HIS 93 N 1.25 2.56 -0.33 0.43 2.46 -1.26 -0.27 115.29 120.13 2wbj s HIS 93 Ca -0.00 -2.34 0.17 0.00 0.47 0.00 0.00 55.06 53.35 2wbj s HIS 93 Cb -0.16 -2.23 0.45 0.00 -0.13 0.00 0.00 32.58 30.51 2wbj s HIS 93 CO -0.08 -0.89 1.01 0.00 -2.47 0.00 0.00 174.74 172.32 2wbj n ALA 94 N 4.41 3.10 0.00 1.58 0.00 -1.26 -3.47 120.51 124.87 2wbj n ALA 94 Ca 0.02 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.60 2wbj n ALA 94 Cb 0.41 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2wbj n ALA 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wbj n SER 95 N -0.14 0.00 0.00 0.00 7.64 -1.26 -5.01 113.62 114.85 2wbj n SER 95 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2wbj n SER 95 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 2wbj n SER 95 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2wbj n LEU 96 N -0.69 0.60 0.00 -3.43 7.94 -1.26 -4.57 117.00 115.58 2wbj n LEU 96 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wbj n LEU 96 Cb 0.00 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.53 2wbj n LEU 96 CO 0.00 -0.49 0.00 0.35 -1.11 0.00 0.00 177.39 176.14 2wbj n THR 97 N -2.26 0.00 -3.67 1.96 -2.24 -1.26 -2.35 114.28 104.45 2wbj n THR 97 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 2wbj n THR 97 Cb 0.20 0.45 -0.14 0.00 -2.10 0.00 0.00 70.33 68.74 2wbj n THR 97 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wbj s LEU 98 N 0.00 -0.14 -0.06 3.22 1.98 -1.26 -0.78 118.68 121.63 2wbj s LEU 98 Ca 0.00 0.48 0.05 0.00 -2.89 0.00 0.00 54.13 51.77 2wbj s LEU 98 Cb 0.00 0.52 -0.01 0.00 0.66 0.00 0.00 46.19 47.36 2wbj s LEU 98 CO 0.00 -0.24 -0.23 -0.55 -1.89 0.00 0.00 176.35 173.44 2wbj s SER 99 N 2.27 2.88 -0.19 3.68 0.15 -0.22 -3.98 113.70 118.29 2wbj s SER 99 Ca 0.01 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.16 2wbj s SER 99 Cb -0.12 -0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2wbj s SER 99 CO -0.07 0.21 -0.10 -0.89 1.20 0.00 0.00 173.24 173.59 2wbj s THR 100 N -0.05 2.98 -0.32 6.45 2.01 0.63 -0.64 115.64 126.70 2wbj s THR 100 Ca -0.06 -0.64 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 2wbj s THR 100 Cb -0.14 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 2wbj s THR 100 CO 0.04 0.47 0.29 -0.22 -0.69 0.00 0.00 174.62 174.52 2wbj s LEU 101 N 1.18 4.33 -0.25 4.42 0.20 -0.17 -0.86 118.68 127.54 2wbj s LEU 101 Ca 0.02 -0.18 -0.02 0.00 0.69 0.00 0.00 54.13 54.64 2wbj s LEU 101 Cb -0.14 -2.24 0.03 0.00 -0.43 0.00 0.00 46.19 43.40 2wbj s LEU 101 CO -0.04 -0.23 -0.06 0.28 -0.29 0.00 0.00 176.35 176.02 2wbj s THR 102 N 1.88 2.88 -0.26 3.68 -1.32 -0.12 -0.01 115.64 122.38 2wbj s THR 102 Ca 0.09 -1.04 -0.29 0.00 -1.21 0.00 0.00 61.69 59.24 2wbj s THR 102 Cb -0.17 -2.48 0.01 0.00 -1.51 0.00 0.00 72.50 68.36 2wbj s THR 102 CO 0.11 0.18 1.10 -0.69 -2.21 0.00 0.00 174.62 173.11 2wbj s VAL 103 N 1.32 4.53 0.01 5.08 1.01 0.41 -0.27 120.40 132.48 2wbj s VAL 103 Ca -0.00 1.81 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 2wbj s VAL 103 Cb -0.17 -4.29 -0.16 0.00 0.00 0.00 0.00 36.38 31.75 2wbj s VAL 103 CO -0.04 -0.30 1.20 0.71 0.00 0.00 0.00 175.10 176.67 2wbj h THR 104 N 5.59 0.64 0.00 3.92 1.35 -1.09 -2.16 112.91 121.17 2wbj h THR 104 Ca -0.21 -0.60 -0.20 0.00 -0.55 0.00 0.00 66.41 64.86 2wbj h THR 104 Cb 1.07 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 2wbj h THR 104 CO 1.00 0.11 -1.57 -0.24 -0.25 0.00 0.00 175.52 174.57 2wbj n SER 105 N -5.14 1.69 -1.45 5.36 2.88 -1.26 -3.55 113.62 112.15 2wbj n SER 105 Ca -0.10 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2wbj n SER 105 Cb 0.27 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2wbj n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wbj n ALA 106 N -4.14 -2.64 -2.40 -1.46 0.00 -1.26 -2.62 120.51 105.99 2wbj n ALA 106 Ca -0.29 0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 2wbj n ALA 106 Cb 0.63 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 2wbj n ALA 106 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2wbj s HIS 107 N -0.22 1.84 0.44 0.00 3.76 -1.26 -1.20 115.29 118.65 2wbj s HIS 107 Ca 0.00 -0.75 0.28 0.00 -0.15 0.00 0.00 55.06 54.44 2wbj s HIS 107 Cb 0.00 -1.05 1.35 0.00 1.11 0.00 0.00 32.58 33.99 2wbj s HIS 107 CO 0.00 0.20 1.69 -1.00 -0.85 0.00 0.00 174.74 174.78 2wbj h PRO 108 N 2.34 0.17 0.00 8.40 0.13 -1.94 0.26 132.00 141.36 2wbj h PRO 108 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2wbj h PRO 108 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wbj h PRO 108 CO 0.66 0.11 0.00 -0.85 -0.23 0.00 0.00 178.00 177.70 2wbj n GLU 109 N -4.58 0.04 0.00 0.86 0.28 -1.26 -2.17 120.64 113.82 2wbj n GLU 109 Ca 0.32 0.30 0.11 0.00 -0.16 0.00 0.00 57.16 57.74 2wbj n GLU 109 Cb 1.26 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 32.68 2wbj n GLU 109 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2wbj n ASP 110 N -1.44 1.17 -4.54 -1.84 9.92 0.92 -4.90 116.55 115.85 2wbj n ASP 110 Ca 0.03 -0.97 -0.47 0.00 -0.53 0.00 0.00 54.79 52.84 2wbj n ASP 110 Cb 0.10 0.60 -0.05 0.00 -0.64 0.00 0.00 41.12 41.12 2wbj n ASP 110 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2wbj n SER 111 N -1.00 2.75 -3.21 -2.24 7.64 -0.92 -4.87 113.62 111.77 2wbj n SER 111 Ca 0.07 0.40 -0.10 0.00 1.01 0.00 0.00 58.87 60.25 2wbj n SER 111 Cb 0.37 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2wbj n SER 111 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2wbj s SER 112 N 7.31 0.11 -0.23 6.43 0.15 -0.52 -4.96 113.70 121.99 2wbj s SER 112 Ca 1.04 -1.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.49 2wbj s SER 112 Cb -0.63 0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 64.42 2wbj s SER 112 CO 0.44 -1.53 0.14 0.12 1.20 0.00 0.00 173.24 173.61 2wbj s PHE 113 N -2.82 3.30 0.02 3.44 5.36 -0.33 -2.00 117.98 124.94 2wbj s PHE 113 Ca 0.18 0.18 0.05 0.00 -0.96 0.00 0.00 56.93 56.38 2wbj s PHE 113 Cb -0.04 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.36 2wbj s PHE 113 CO 0.12 0.06 -0.12 0.71 -1.46 0.00 0.00 175.22 174.52 2wbj s TYR 114 N 1.00 2.72 -0.17 10.12 2.02 0.16 -0.44 117.35 132.75 2wbj s TYR 114 Ca 0.07 -0.15 -0.12 0.00 -0.37 0.00 0.00 57.07 56.50 2wbj s TYR 114 Cb -0.13 -1.54 0.05 0.00 -0.40 0.00 0.00 41.96 39.94 2wbj s TYR 114 CO 0.04 0.30 0.43 -1.50 -1.57 0.00 0.00 175.55 173.25 2wbj s ILE 115 N -0.95 -0.01 0.11 2.71 2.07 -0.43 -0.07 121.20 124.62 2wbj s ILE 115 Ca 0.16 0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.50 2wbj s ILE 115 Cb -0.11 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 2wbj s ILE 115 CO 0.06 0.02 0.03 0.00 -1.91 0.00 0.00 174.94 173.14 2wbj s SER 117 N -2.49 0.91 -0.04 0.00 1.04 -0.04 -0.60 113.70 112.48 2wbj s SER 117 Ca 0.27 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 56.01 2wbj s SER 117 Cb -0.11 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2wbj s SER 117 CO 0.19 -0.31 -0.11 0.00 0.98 0.00 0.00 173.24 174.00 2wbj s ALA 118 N -2.21 1.06 -0.16 5.32 0.00 -0.27 -0.11 121.76 125.39 2wbj s ALA 118 Ca -0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 2wbj s ALA 118 Cb -0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2wbj s ALA 118 CO -0.02 0.15 0.76 0.50 0.00 0.00 0.00 175.76 177.15 2wbj s ARG 119 N 0.34 4.30 0.02 0.00 3.52 -1.07 -1.23 118.95 124.84 2wbj s ARG 119 Ca -0.07 0.89 -0.30 0.00 -0.13 0.00 0.00 55.73 56.12 2wbj s ARG 119 Cb -0.11 -3.55 -0.07 0.00 -1.56 0.00 0.00 34.95 29.66 2wbj s ARG 119 CO 0.02 -0.23 1.61 0.34 -0.81 0.00 0.00 175.30 176.22 2wbj s ASP 120 N 1.10 6.67 0.00 -2.12 2.15 -0.33 -4.21 116.67 119.92 2wbj s ASP 120 Ca 0.36 2.35 0.26 0.00 0.43 0.00 0.00 52.55 55.95 2wbj s ASP 120 Cb -0.17 -2.55 1.18 0.00 -0.30 0.00 0.00 42.92 41.08 2wbj s ASP 120 CO 0.13 -0.87 1.86 0.00 -0.17 0.00 0.00 175.17 176.12 2wbj n LEU 121 N 5.97 0.00 0.19 -1.34 -0.00 -1.01 -2.45 117.00 118.36 2wbj n LEU 121 Ca 0.16 0.44 0.10 0.00 -0.00 0.00 0.00 56.01 56.70 2wbj n LEU 121 Cb 0.42 -0.44 0.13 0.00 -0.00 0.00 0.00 43.42 43.53 2wbj n LEU 121 CO 0.62 -0.05 0.69 0.74 -0.00 0.00 0.00 177.39 179.39 2wbj h THR 122 N 0.00 0.19 -0.49 1.47 2.02 -1.90 -3.37 112.91 110.83 2wbj h THR 122 Ca 0.00 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 2wbj h THR 122 Cb 0.39 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 2wbj h THR 122 CO 0.00 0.11 0.27 0.28 0.37 0.00 0.00 175.52 176.55 2wbj h SER 123 N 0.00 0.62 0.00 4.18 0.02 -1.78 -3.42 113.55 113.16 2wbj h SER 123 Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2wbj h SER 123 Cb 1.09 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2wbj h SER 123 CO 0.01 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 2wbj n GLY 124 N -1.01 2.89 0.33 -3.77 0.00 -1.26 -3.67 105.19 98.70 2wbj n GLY 124 Ca 0.02 -0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.12 2wbj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbj h ALA 125 N -0.53 1.79 -1.62 4.61 0.00 -1.08 -3.15 119.26 119.28 2wbj h ALA 125 Ca 0.00 0.17 -0.63 0.00 0.00 0.00 0.00 54.91 54.45 2wbj h ALA 125 Cb 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 17.77 2wbj h ALA 125 CO 0.00 -0.44 0.76 0.54 0.00 0.00 0.00 179.25 180.11 2wbj s ASN 126 N -5.05 6.30 -0.99 0.00 4.22 -1.24 -4.96 114.94 113.23 2wbj s ASN 126 Ca -0.11 -1.19 -0.23 0.00 -2.14 0.00 0.00 52.86 49.20 2wbj s ASN 126 Cb 0.28 -2.45 0.06 0.00 1.28 0.00 0.00 41.25 40.42 2wbj s ASN 126 CO 0.79 -1.42 1.41 0.21 -2.04 0.00 0.00 177.10 176.04 2wbj s ASN 127 N 3.80 6.48 -0.25 3.54 2.47 -1.19 -4.76 114.94 125.03 2wbj s ASN 127 Ca 0.28 -1.41 -0.13 0.00 0.42 0.00 0.00 52.86 52.02 2wbj s ASN 127 Cb -0.12 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.09 2wbj s ASN 127 CO 0.05 -1.50 0.28 -1.61 -3.72 0.00 0.00 177.10 170.60 2wbj s GLU 128 N 4.85 4.04 0.12 0.43 2.02 -1.26 -5.04 118.70 123.86 2wbj s GLU 128 Ca 0.44 -0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.37 2wbj s GLU 128 Cb -0.01 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 2wbj s GLU 128 CO -0.08 -0.14 -0.09 -0.65 0.02 0.00 0.00 175.26 174.32 2wbj s GLN 129 N 1.64 0.96 -0.00 1.61 -0.21 -1.26 -1.19 119.66 121.21 2wbj s GLN 129 Ca 0.12 -1.36 -0.00 0.00 0.02 0.00 0.00 55.36 54.14 2wbj s GLN 129 Cb -0.15 -0.51 0.00 0.00 1.00 0.00 0.00 33.01 33.35 2wbj s GLN 129 CO 0.09 0.06 0.01 -0.06 -2.12 0.00 0.00 175.29 173.27 2wbj s PHE 130 N -3.19 -0.01 0.03 0.91 0.08 -0.36 -4.93 117.98 110.51 2wbj s PHE 130 Ca 0.13 0.03 -0.00 0.00 0.12 0.00 0.00 56.93 57.20 2wbj s PHE 130 Cb 0.02 0.00 -0.04 0.00 -0.57 0.00 0.00 43.02 42.43 2wbj s PHE 130 CO -0.01 -0.01 0.16 -0.06 -0.10 0.00 0.00 175.22 175.20 2wbj s PHE 131 N -0.02 3.43 0.73 0.36 0.40 -1.26 -1.12 117.98 120.50 2wbj s PHE 131 Ca -0.00 0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 56.47 2wbj s PHE 131 Cb -0.00 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.82 2wbj s PHE 131 CO 0.00 0.59 1.09 0.20 0.70 0.00 0.00 175.22 177.81 2wbj s GLY 132 N -2.17 1.62 0.46 4.36 0.00 0.23 -4.50 107.32 107.32 2wbj s GLY 132 Ca 0.29 -0.58 0.11 0.00 0.00 0.00 0.00 44.72 44.55 2wbj s GLY 132 CO 0.21 -0.17 2.09 -0.56 0.00 0.00 0.00 173.10 174.68 2wbj h PRO 133 N -0.74 0.31 0.00 2.90 0.13 -1.89 -3.44 132.00 129.27 2wbj h PRO 133 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wbj h PRO 133 Cb 1.29 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wbj h PRO 133 CO 0.64 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 2wbj n GLY 134 N -1.50 2.32 3.00 1.56 0.00 -1.26 -5.05 105.19 104.25 2wbj n GLY 134 Ca 0.01 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 2wbj n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wbj s THR 135 N -2.04 0.95 -0.76 2.61 2.01 0.90 -4.54 115.64 114.77 2wbj s THR 135 Ca 0.00 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 2wbj s THR 135 Cb 0.00 -0.88 0.19 0.00 0.01 0.00 0.00 72.50 71.82 2wbj s THR 135 CO 0.00 0.31 0.61 -0.60 -0.69 0.00 0.00 174.62 174.24 2wbj s ARG 136 N 0.58 2.92 -0.03 4.92 6.06 0.19 -0.67 118.95 132.93 2wbj s ARG 136 Ca -0.11 -2.90 -0.20 0.00 -2.50 0.00 0.00 55.73 50.02 2wbj s ARG 136 Cb -0.14 -3.85 -0.05 0.00 0.06 0.00 0.00 34.95 30.97 2wbj s ARG 136 CO 0.02 -1.22 0.56 -1.17 -2.50 0.00 0.00 175.30 170.99 2wbj s LEU 137 N -0.69 4.39 -0.07 -0.88 2.96 -0.85 -2.92 118.68 120.63 2wbj s LEU 137 Ca 0.22 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 55.22 2wbj s LEU 137 Cb -0.14 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.71 2wbj s LEU 137 CO -0.08 0.09 -0.08 0.28 -1.32 0.00 0.00 176.35 175.24 2wbj s THR 138 N -0.04 0.86 -0.14 3.68 -1.32 -0.85 -1.43 115.64 116.40 2wbj s THR 138 Ca 0.30 -0.28 -0.05 0.00 -1.21 0.00 0.00 61.69 60.44 2wbj s THR 138 Cb -0.17 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 2wbj s THR 138 CO 0.16 0.31 0.05 0.68 -2.21 0.00 0.00 174.62 173.60 2wbj s VAL 139 N 1.00 4.72 0.16 5.08 -7.23 -1.26 -3.25 120.40 119.62 2wbj s VAL 139 Ca -0.09 -0.07 0.08 0.00 -1.81 0.00 0.00 61.98 60.09 2wbj s VAL 139 Cb -0.15 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 2wbj s VAL 139 CO -0.00 0.53 -0.18 0.28 -0.31 0.00 0.00 175.10 175.42 2wbj s THR 140 N -0.25 1.80 0.31 5.32 -1.32 -0.84 -4.36 115.64 116.31 2wbj s THR 140 Ca 0.08 -1.88 0.13 0.00 -1.21 0.00 0.00 61.69 58.81 2wbj s THR 140 Cb -0.12 -1.81 0.06 0.00 -1.51 0.00 0.00 72.50 69.12 2wbj s THR 140 CO 0.02 -0.30 1.74 1.05 -2.21 0.00 0.00 174.62 174.92 2wbj h GLU 141 N 3.33 0.00 -3.47 7.08 9.09 -1.94 -1.02 114.58 127.65 2wbj h GLU 141 Ca -0.42 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 58.74 2wbj h GLU 141 Cb 1.20 0.00 -0.31 0.00 -1.65 0.00 0.00 28.75 28.00 2wbj h GLU 141 CO 0.50 0.46 -0.66 0.34 0.05 0.00 0.00 179.01 179.70 2wbj s ASP 142 N -6.82 -0.04 0.20 3.06 -1.08 -1.26 -4.60 116.67 106.13 2wbj s ASP 142 Ca -0.02 0.15 0.18 0.00 -0.52 0.00 0.00 52.55 52.34 2wbj s ASP 142 Cb 0.13 0.09 0.84 0.00 -1.46 0.00 0.00 42.92 42.52 2wbj s ASP 142 CO 0.73 -0.09 1.54 0.18 0.52 0.00 0.00 175.17 178.06 2wbj n LEU 143 N 3.70 0.43 -0.16 -1.34 4.77 -1.26 -1.70 117.00 121.43 2wbj n LEU 143 Ca -0.21 0.65 0.24 0.00 -0.03 0.00 0.00 56.01 56.66 2wbj n LEU 143 Cb 0.55 -0.64 0.66 0.00 -2.33 0.00 0.00 43.42 41.65 2wbj n LEU 143 CO 0.22 -0.64 1.24 0.50 -1.33 0.00 0.00 177.39 177.38 2wbj h LYS 144 N 0.00 0.12 0.00 3.23 3.64 -1.95 -2.87 116.57 118.73 2wbj h LYS 144 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wbj h LYS 144 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2wbj h LYS 144 CO 0.00 0.08 0.00 0.09 -2.27 0.00 0.00 179.45 177.35 2wbj n ASN 145 N -4.36 0.00 -4.66 4.20 3.02 -0.69 -4.82 115.26 107.95 2wbj n ASN 145 Ca 0.17 -0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 2wbj n ASN 145 Cb 0.82 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.76 2wbj n ASN 145 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wbj s VAL 146 N -2.38 4.79 -0.04 2.41 1.01 -1.09 -4.64 120.40 120.46 2wbj s VAL 146 Ca 0.33 1.79 0.03 0.00 0.00 0.00 0.00 61.98 64.13 2wbj s VAL 146 Cb 0.19 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2wbj s VAL 146 CO 0.40 -0.07 -0.13 -0.36 0.00 0.00 0.00 175.10 174.94 2wbj s PHE 147 N 2.68 1.36 0.56 5.22 0.08 -0.09 -4.75 117.98 123.05 2wbj s PHE 147 Ca 0.40 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.90 2wbj s PHE 147 Cb -0.16 -0.95 -0.06 0.00 -0.57 0.00 0.00 43.02 41.28 2wbj s PHE 147 CO 0.09 -0.16 1.01 -1.25 -0.10 0.00 0.00 175.22 174.82 2wbj s PRO 148 N 0.23 3.68 0.26 0.24 0.04 -1.26 -1.14 135.00 137.05 2wbj s PRO 148 Ca -0.06 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 2wbj s PRO 148 Cb -0.11 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2wbj s PRO 148 CO 0.02 -0.50 1.17 -1.25 0.04 0.00 0.00 177.00 176.48 2wbj s PRO 149 N -4.24 4.55 -0.11 0.56 0.04 -1.26 -4.51 135.00 130.03 2wbj s PRO 149 Ca 0.60 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 63.36 2wbj s PRO 149 Cb -0.12 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 2wbj s PRO 149 CO 0.37 0.05 0.49 -2.00 0.04 0.00 0.00 177.00 175.95 2wbj s GLU 150 N -1.17 4.33 -0.09 4.56 2.12 0.25 -4.85 118.70 123.86 2wbj s GLU 150 Ca 0.48 0.48 0.01 0.00 0.36 0.00 0.00 54.97 56.30 2wbj s GLU 150 Cb -0.34 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.65 2wbj s GLU 150 CO 0.42 0.18 -0.09 0.54 -0.54 0.00 0.00 175.26 175.77 2wbj s VAL 151 N 0.53 1.02 0.08 3.70 0.11 -1.26 0.82 120.40 125.40 2wbj s VAL 151 Ca 0.27 -0.35 0.06 0.00 -2.93 0.00 0.00 61.98 59.03 2wbj s VAL 151 Cb -0.15 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 2wbj s VAL 151 CO 0.11 0.35 -0.17 0.00 -3.33 0.00 0.00 175.10 172.06 2wbj s ALA 152 N 1.21 1.45 -0.07 1.54 0.00 -0.69 -4.35 121.76 120.85 2wbj s ALA 152 Ca -0.05 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 50.89 2wbj s ALA 152 Cb -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2wbj s ALA 152 CO -0.02 0.26 -0.24 0.54 0.00 0.00 0.00 175.76 176.30 2wbj s VAL 153 N -1.14 2.17 -0.21 0.00 0.11 -1.26 -1.02 120.40 119.05 2wbj s VAL 153 Ca 0.02 -1.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.02 2wbj s VAL 153 Cb -0.10 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 32.93 2wbj s VAL 153 CO 0.03 0.57 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.98 2wbj s PHE 154 N -0.06 2.98 0.28 1.54 0.08 0.10 -4.95 117.98 117.97 2wbj s PHE 154 Ca -0.06 -0.72 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 2wbj s PHE 154 Cb -0.15 -2.08 -0.10 0.00 -0.57 0.00 0.00 43.02 40.12 2wbj s PHE 154 CO 0.05 -0.41 1.17 -1.21 -0.10 0.00 0.00 175.22 174.72 2wbj s GLU 155 N 1.24 4.55 0.67 0.44 2.02 -1.26 -2.77 118.70 123.58 2wbj s GLU 155 Ca 0.03 1.93 -0.17 0.00 0.02 0.00 0.00 54.97 56.78 2wbj s GLU 155 Cb -0.14 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2wbj s GLU 155 CO -0.00 0.07 1.27 -1.25 0.02 0.00 0.00 175.26 175.37 2wbj s PRO 156 N -1.42 2.41 0.47 0.39 0.04 -1.25 -4.96 135.00 130.68 2wbj s PRO 156 Ca 0.47 1.99 -0.23 0.00 0.04 0.00 0.00 61.00 63.26 2wbj s PRO 156 Cb -0.34 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2wbj s PRO 156 CO 0.44 -1.69 1.27 0.45 0.04 0.00 0.00 177.00 177.52 2wbj s SER 157 N -1.55 5.91 0.40 6.66 0.15 -1.26 -4.94 113.70 119.07 2wbj s SER 157 Ca 0.80 2.57 0.21 0.00 0.70 0.00 0.00 55.95 60.24 2wbj s SER 157 Cb -0.35 -2.62 0.68 0.00 -1.71 0.00 0.00 66.02 62.01 2wbj s SER 157 CO 0.41 -1.12 1.72 -0.08 1.20 0.00 0.00 173.24 175.38 2wbj h GLU 158 N 2.04 0.00 -0.64 5.44 4.57 -1.99 -2.93 114.58 121.07 2wbj h GLU 158 Ca -0.50 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.59 2wbj h GLU 158 Cb 1.26 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 2wbj h GLU 158 CO 0.60 0.29 0.03 0.00 -1.18 0.00 0.00 179.01 178.75 2wbj h ALA 159 N 1.71 0.85 0.24 2.92 0.00 -1.99 -2.80 119.26 120.18 2wbj h ALA 159 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2wbj h ALA 159 Cb 0.91 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2wbj h ALA 159 CO 0.04 0.67 -0.27 1.49 0.00 0.00 0.00 179.25 181.18 2wbj h GLU 160 N 1.01 -0.53 -0.44 0.00 4.81 -1.83 -2.59 114.58 115.00 2wbj h GLU 160 Ca 0.18 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2wbj h GLU 160 Cb 0.53 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2wbj h GLU 160 CO 0.03 -0.36 0.09 0.82 -0.73 0.00 0.00 179.01 178.86 2wbj h ILE 161 N -0.55 1.20 -0.32 2.32 2.04 -1.55 0.40 117.51 121.05 2wbj h ILE 161 Ca 0.00 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 2wbj h ILE 161 Cb 0.52 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2wbj h ILE 161 CO -0.08 0.27 0.01 0.28 0.00 0.00 0.00 178.15 178.62 2wbj h SER 162 N 0.65 0.45 0.00 1.72 0.02 -1.37 -2.81 113.55 112.21 2wbj h SER 162 Ca 0.15 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2wbj h SER 162 Cb 0.27 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2wbj h SER 162 CO -0.00 0.51 -1.02 1.57 -1.14 0.00 0.00 176.83 176.75 2wbj n HIS 163 N -4.30 0.00 0.22 3.45 -0.00 -0.89 -4.62 115.22 109.08 2wbj n HIS 163 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.76 2wbj n HIS 163 Cb 0.23 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.99 30.17 2wbj n HIS 163 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2wbj n THR 164 N -1.73 0.00 -3.91 3.57 -2.24 0.13 -5.01 114.28 105.09 2wbj n THR 164 Ca -0.00 -0.34 -0.28 0.00 -2.27 0.00 0.00 64.05 61.16 2wbj n THR 164 Cb 0.23 0.91 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 2wbj n THR 164 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2wbj n GLN 165 N -1.21 -4.92 -3.73 -0.78 -0.06 -1.06 -4.99 117.38 100.64 2wbj n GLN 165 Ca 0.01 0.56 -0.11 0.00 -2.00 0.00 0.00 57.00 55.46 2wbj n GLN 165 Cb 0.09 -5.28 -0.06 0.00 -4.06 0.00 0.00 30.24 20.93 2wbj n GLN 165 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2wbj s LYS 166 N -6.50 0.89 -0.13 3.69 1.02 -1.26 -4.16 119.74 113.28 2wbj s LYS 166 Ca 0.46 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 2wbj s LYS 166 Cb -0.23 0.39 0.03 0.00 -0.52 0.00 0.00 37.83 37.50 2wbj s LYS 166 CO 0.84 -0.31 -0.06 0.00 -0.92 0.00 0.00 175.35 174.91 2wbj s ALA 167 N -3.08 1.33 -0.37 5.17 0.00 -0.13 -3.35 121.76 121.34 2wbj s ALA 167 Ca -0.01 -0.63 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 2wbj s ALA 167 Cb 0.01 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.19 2wbj s ALA 167 CO -0.07 -0.58 0.16 0.99 0.00 0.00 0.00 175.76 176.27 2wbj s THR 168 N 1.70 4.05 0.24 0.00 2.01 -1.26 -3.51 115.64 118.88 2wbj s THR 168 Ca 0.03 -1.15 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 2wbj s THR 168 Cb -0.14 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 2wbj s THR 168 CO -0.08 -0.28 0.95 -0.76 -0.69 0.00 0.00 174.62 173.76 2wbj s LEU 169 N 1.44 4.64 -0.08 4.42 1.02 0.36 -3.93 118.68 126.55 2wbj s LEU 169 Ca 0.00 1.97 0.04 0.00 0.02 0.00 0.00 54.13 56.17 2wbj s LEU 169 Cb -0.20 -3.61 -0.00 0.00 0.02 0.00 0.00 46.19 42.40 2wbj s LEU 169 CO 0.03 0.14 -0.22 0.54 0.02 0.00 0.00 176.35 176.86 2wbj s VAL 170 N -1.16 1.84 0.08 -1.59 0.11 -1.12 -1.01 120.40 117.55 2wbj s VAL 170 Ca 0.41 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 2wbj s VAL 170 Cb -0.26 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 2wbj s VAL 170 CO 0.33 0.51 0.11 0.00 -3.33 0.00 0.00 175.10 172.72 2wbj s LEU 172 N -2.43 0.55 -0.26 0.00 2.96 -0.19 -1.72 118.68 117.60 2wbj s LEU 172 Ca 0.31 -1.08 -0.15 0.00 -0.22 0.00 0.00 54.13 52.99 2wbj s LEU 172 Cb -0.12 -0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 2wbj s LEU 172 CO 0.23 -0.41 0.38 0.00 -1.32 0.00 0.00 176.35 175.24 2wbj s ALA 173 N 2.09 3.57 -0.05 5.97 0.00 -0.47 -1.70 121.76 131.16 2wbj s ALA 173 Ca 0.07 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.31 2wbj s ALA 173 Cb -0.16 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2wbj s ALA 173 CO -0.27 -0.59 -0.16 0.99 0.00 0.00 0.00 175.76 175.73 2wbj s THR 174 N 1.93 1.39 -0.35 0.00 2.01 0.24 -0.57 115.64 120.29 2wbj s THR 174 Ca 0.16 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 2wbj s THR 174 Cb -0.16 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.14 2wbj s THR 174 CO 0.09 0.41 0.30 0.61 -0.69 0.00 0.00 174.62 175.34 2wbj n GLY 175 N 3.32 0.31 3.50 4.40 0.00 0.39 -0.58 105.19 116.53 2wbj n GLY 175 Ca -0.19 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2wbj n GLY 175 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wbj s PHE 176 N -3.10 2.75 -0.02 1.61 -0.71 -0.81 -4.59 117.98 113.12 2wbj s PHE 176 Ca 0.05 -0.12 0.01 0.00 -1.04 0.00 0.00 56.93 55.83 2wbj s PHE 176 Cb -0.02 -1.64 0.02 0.00 -1.21 0.00 0.00 43.02 40.16 2wbj s PHE 176 CO 0.21 0.22 -0.01 -0.47 -1.34 0.00 0.00 175.22 173.83 2wbj s TYR 177 N -0.76 0.30 0.00 3.49 5.04 -0.29 -0.77 117.35 124.36 2wbj s TYR 177 Ca 0.12 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 2wbj s TYR 177 Cb -0.11 -0.34 0.00 0.00 0.35 0.00 0.00 41.96 41.87 2wbj s TYR 177 CO 0.01 -0.09 0.00 -0.35 -1.34 0.00 0.00 175.55 173.78 2wbj n PRO 178 N 3.78 1.65 -1.00 4.97 -0.04 -1.26 -0.91 135.00 142.18 2wbj n PRO 178 Ca -0.23 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.08 2wbj n PRO 178 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 2wbj n PRO 178 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wbj n ASP 179 N 0.00 5.96 -3.81 3.54 2.03 -1.26 -4.78 116.55 118.23 2wbj n ASP 179 Ca 0.00 -2.84 -0.32 0.00 0.52 0.00 0.00 54.79 52.15 2wbj n ASP 179 Cb 0.00 -1.21 -0.07 0.00 -0.72 0.00 0.00 41.12 39.13 2wbj n ASP 179 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2wbj n HIS 180 N 1.23 3.55 -4.27 -0.67 8.25 -1.26 -5.03 115.22 117.01 2wbj n HIS 180 Ca 0.32 -3.93 -0.17 0.00 -0.26 0.00 0.00 57.72 53.68 2wbj n HIS 180 Cb 0.64 -0.86 -0.11 0.00 1.12 0.00 0.00 29.99 30.78 2wbj n HIS 180 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2wbj s VAL 181 N -2.03 1.38 -0.10 1.59 -7.23 -1.26 -2.03 120.40 110.72 2wbj s VAL 181 Ca 0.32 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.52 2wbj s VAL 181 Cb 0.03 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.28 2wbj s VAL 181 CO -0.06 -0.56 0.15 -1.83 -0.31 0.00 0.00 175.10 172.49 2wbj s GLU 182 N -3.23 0.04 -0.05 4.82 -1.05 -0.84 -4.99 118.70 113.40 2wbj s GLU 182 Ca 0.14 0.46 -0.17 0.00 -0.15 0.00 0.00 54.97 55.25 2wbj s GLU 182 Cb -0.02 -0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 33.13 2wbj s GLU 182 CO 0.03 -0.37 0.47 -1.17 0.95 0.00 0.00 175.26 175.18 2wbj s LEU 183 N 2.27 4.38 -0.03 1.83 0.20 -1.26 -2.13 118.68 123.95 2wbj s LEU 183 Ca 0.04 0.94 -0.01 0.00 0.69 0.00 0.00 54.13 55.79 2wbj s LEU 183 Cb -0.13 -2.70 0.02 0.00 -0.43 0.00 0.00 46.19 42.96 2wbj s LEU 183 CO -0.06 0.15 0.06 -0.94 -0.29 0.00 0.00 176.35 175.27 2wbj s SER 184 N -0.19 -0.01 0.14 3.68 1.04 -0.07 -5.01 113.70 113.28 2wbj s SER 184 Ca 0.26 0.12 -0.21 0.00 0.48 0.00 0.00 55.95 56.60 2wbj s SER 184 Cb -0.16 0.05 -0.07 0.00 0.10 0.00 0.00 66.02 65.93 2wbj s SER 184 CO 0.13 -0.09 0.66 0.26 0.98 0.00 0.00 173.24 175.18 2wbj s TRP 185 N 0.73 3.78 -0.11 5.02 0.52 -1.26 -1.21 118.94 126.41 2wbj s TRP 185 Ca -0.06 1.39 -0.01 0.00 0.02 0.00 0.00 56.10 57.44 2wbj s TRP 185 Cb -0.08 -2.59 0.03 0.00 -1.15 0.00 0.00 33.47 29.67 2wbj s TRP 185 CO -0.03 0.49 -0.06 -1.58 0.02 0.00 0.00 176.95 175.80 2wbj s TRP 186 N -1.25 1.38 -0.18 -1.98 0.52 0.67 -2.00 118.94 116.10 2wbj s TRP 186 Ca 0.35 -0.68 -0.02 0.00 0.02 0.00 0.00 56.10 55.78 2wbj s TRP 186 Cb -0.19 -1.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 2wbj s TRP 186 CO 0.22 -0.49 -0.10 0.54 0.02 0.00 0.00 176.95 177.13 2wbj s VAL 187 N 1.74 3.05 -1.49 4.03 0.11 0.14 -0.93 120.40 127.05 2wbj s VAL 187 Ca 0.05 -0.63 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 2wbj s VAL 187 Cb -0.13 -2.33 0.05 0.00 -1.53 0.00 0.00 36.38 32.44 2wbj s VAL 187 CO -0.08 0.48 0.62 0.59 -3.33 0.00 0.00 175.10 173.38 2wbj n ASN 188 N 4.28 -1.79 0.00 3.54 4.13 -0.50 -2.60 115.26 122.32 2wbj n ASN 188 Ca -0.19 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.12 2wbj n ASN 188 Cb 0.51 -3.20 0.00 0.00 -1.54 0.00 0.00 39.78 35.56 2wbj n ASN 188 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wbj n GLY 189 N -1.76 2.93 3.80 7.41 0.00 -1.26 -5.01 105.19 111.30 2wbj n GLY 189 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2wbj n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wbj s LYS 190 N -0.13 3.13 0.31 1.61 2.20 -1.07 -5.09 119.74 120.70 2wbj s LYS 190 Ca 0.00 -0.44 -0.26 0.00 -0.36 0.00 0.00 55.97 54.91 2wbj s LYS 190 Cb 0.00 -2.91 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 2wbj s LYS 190 CO 0.00 0.66 0.94 -1.83 -0.36 0.00 0.00 175.35 174.76 2wbj s GLU 191 N -1.66 4.62 -0.02 4.03 -1.05 -1.26 -0.69 118.70 122.67 2wbj s GLU 191 Ca 0.22 1.34 0.07 0.00 -0.15 0.00 0.00 54.97 56.46 2wbj s GLU 191 Cb -0.12 -2.87 -0.02 0.00 -0.44 0.00 0.00 34.13 30.68 2wbj s GLU 191 CO 0.13 0.32 -0.23 0.14 0.95 0.00 0.00 175.26 176.56 2wbj s VAL 192 N -1.55 1.85 -1.87 1.83 -7.23 -0.85 -4.88 120.40 107.70 2wbj s VAL 192 Ca 0.49 -1.00 0.17 0.00 -1.81 0.00 0.00 61.98 59.82 2wbj s VAL 192 Cb -0.20 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.29 2wbj s VAL 192 CO 0.25 0.52 0.96 1.41 -0.31 0.00 0.00 175.10 177.94 2wbj n HIS 193 N 2.51 0.00 0.03 2.82 8.25 -1.26 -4.47 115.22 123.11 2wbj n HIS 193 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2wbj n HIS 193 Cb 0.52 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.81 2wbj n HIS 193 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2wbj n SER 194 N 0.54 3.34 -1.23 0.41 7.64 -1.26 -3.17 113.62 119.90 2wbj n SER 194 Ca 0.09 -2.53 -0.01 0.00 1.01 0.00 0.00 58.87 57.43 2wbj n SER 194 Cb 0.39 -0.61 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 2wbj n SER 194 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wbj n GLY 195 N 0.18 -0.42 3.52 0.23 0.00 -1.26 -5.00 105.19 102.44 2wbj n GLY 195 Ca 0.17 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2wbj n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbj s VAL 196 N 0.01 3.22 -0.19 1.61 1.01 -1.19 -1.88 120.40 123.00 2wbj s VAL 196 Ca 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2wbj s VAL 196 Cb 0.04 -2.36 0.06 0.00 0.00 0.00 0.00 36.38 34.13 2wbj s VAL 196 CO -0.01 0.42 0.06 -0.55 0.00 0.00 0.00 175.10 175.02 2wbj s SER 197 N -1.27 2.72 -0.21 3.32 0.15 0.03 -5.01 113.70 113.43 2wbj s SER 197 Ca 0.15 -0.76 -0.11 0.00 0.70 0.00 0.00 55.95 55.92 2wbj s SER 197 Cb -0.11 -0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 63.70 2wbj s SER 197 CO 0.05 -0.33 0.18 -0.89 1.20 0.00 0.00 173.24 173.45 2wbj s THR 198 N 1.97 5.37 0.32 6.45 2.01 -1.26 -0.07 115.64 130.43 2wbj s THR 198 Ca 0.01 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 2wbj s THR 198 Cb -0.17 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 2wbj s THR 198 CO -0.09 0.39 1.44 1.51 -0.69 0.00 0.00 174.62 177.18 2wbj s ASP 199 N 0.69 6.53 0.25 3.53 -4.77 -1.09 -4.89 116.67 116.92 2wbj s ASP 199 Ca 0.09 2.85 -0.04 0.00 -3.30 0.00 0.00 52.55 52.16 2wbj s ASP 199 Cb -0.12 -2.65 0.30 0.00 -1.09 0.00 0.00 42.92 39.36 2wbj s ASP 199 CO 0.02 -0.75 1.81 -0.65 0.70 0.00 0.00 175.17 176.29 2wbj h PRO 200 N 3.84 0.98 -5.06 2.11 0.11 -1.98 -3.42 132.00 128.59 2wbj h PRO 200 Ca -0.49 -0.19 -0.42 0.00 0.11 0.00 0.00 66.00 65.01 2wbj h PRO 200 Cb 1.23 -0.15 -0.27 0.00 0.11 0.00 0.00 31.00 31.92 2wbj h PRO 200 CO 0.70 0.84 -0.79 -0.65 -0.21 0.00 0.00 178.00 177.89 2wbj s GLN 201 N -5.34 0.87 0.91 1.05 -0.21 -1.26 -5.16 119.66 110.52 2wbj s GLN 201 Ca -0.11 -0.56 -0.15 0.00 0.02 0.00 0.00 55.36 54.56 2wbj s GLN 201 Cb 0.16 -0.85 0.22 0.00 1.00 0.00 0.00 33.01 33.54 2wbj s GLN 201 CO 0.82 0.22 0.88 -0.35 -2.12 0.00 0.00 175.29 174.74 2wbj n PRO 202 N 2.35 -2.33 -4.21 2.91 -0.04 -1.26 -4.99 135.00 127.44 2wbj n PRO 202 Ca -0.16 -1.40 -0.17 0.00 -0.04 0.00 0.00 63.50 61.73 2wbj n PRO 202 Cb 0.56 -1.22 -0.15 0.00 -0.04 0.00 0.00 33.50 32.64 2wbj n PRO 202 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2wbj s LEU 203 N 0.00 1.87 0.18 1.53 2.34 -0.65 -4.96 118.68 118.99 2wbj s LEU 203 Ca 0.56 -0.12 -0.31 0.00 0.06 0.00 0.00 54.13 54.32 2wbj s LEU 203 Cb -0.05 -0.35 -0.10 0.00 -0.56 0.00 0.00 46.19 45.13 2wbj s LEU 203 CO 0.42 0.05 1.59 -0.54 -1.06 0.00 0.00 176.35 176.81 2wbj s LYS 204 N 0.07 4.20 0.39 1.48 1.02 -1.26 -1.63 119.74 124.00 2wbj s LYS 204 Ca -0.00 2.41 0.21 0.00 0.02 0.00 0.00 55.97 58.60 2wbj s LYS 204 Cb -0.05 -3.13 0.25 0.00 -0.52 0.00 0.00 37.83 34.38 2wbj s LYS 204 CO -0.00 -0.62 1.54 1.05 -0.92 0.00 0.00 175.35 176.40 2wbj h GLU 205 N 6.60 0.00 -2.96 1.68 4.11 -1.56 -3.34 114.58 119.11 2wbj h GLU 205 Ca -0.43 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.38 2wbj h GLU 205 Cb 1.21 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.05 2wbj h GLU 205 CO 0.91 0.13 -0.67 -0.65 0.07 0.00 0.00 179.01 178.79 2wbj s GLN 206 N -3.15 2.01 0.32 1.06 -0.21 -1.26 -5.00 119.66 113.42 2wbj s GLN 206 Ca 0.06 -2.92 0.05 0.00 0.02 0.00 0.00 55.36 52.57 2wbj s GLN 206 Cb 0.06 -2.92 0.68 0.00 1.00 0.00 0.00 33.01 31.83 2wbj s GLN 206 CO 0.70 -1.28 1.87 -1.35 -2.12 0.00 0.00 175.29 173.11 2wbj h PRO 207 N 5.66 0.83 -0.93 2.91 0.11 -1.95 0.11 132.00 138.74 2wbj h PRO 207 Ca 0.14 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 2wbj h PRO 207 Cb 0.81 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.69 2wbj h PRO 207 CO 0.63 0.55 0.57 0.00 -0.21 0.00 0.00 178.00 179.53 2wbj h ALA 208 N 1.57 1.24 -2.40 -0.75 0.00 -1.94 -3.44 119.26 113.53 2wbj h ALA 208 Ca 0.45 -0.10 -0.54 0.00 0.00 0.00 0.00 54.91 54.72 2wbj h ALA 208 Cb 0.53 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wbj h ALA 208 CO -0.21 0.65 0.75 -1.17 0.00 0.00 0.00 179.25 179.27 2wbj s LEU 209 N -9.99 4.32 0.35 0.00 1.98 0.39 -4.91 118.68 110.82 2wbj s LEU 209 Ca -0.13 2.07 0.14 0.00 -2.89 0.00 0.00 54.13 53.32 2wbj s LEU 209 Cb 0.17 -3.57 1.00 0.00 0.66 0.00 0.00 46.19 44.46 2wbj s LEU 209 CO 0.82 -0.64 1.72 -1.13 -1.89 0.00 0.00 176.35 175.23 2wbj h ASN 210 N 7.45 0.57 -1.39 3.68 -0.73 -1.86 -2.65 115.58 120.65 2wbj h ASN 210 Ca -0.38 0.14 -0.44 0.00 1.87 0.00 0.00 56.30 57.48 2wbj h ASN 210 Cb 1.19 0.05 -0.40 0.00 0.27 0.00 0.00 38.32 39.42 2wbj h ASN 210 CO 0.88 0.04 -1.09 -0.90 -0.37 0.00 0.00 177.43 175.99 2wbj n ASP 211 N -4.85 2.03 -4.62 1.15 5.75 -1.26 -5.11 116.55 109.65 2wbj n ASP 211 Ca 0.28 -3.01 -0.29 0.00 -0.01 0.00 0.00 54.79 51.76 2wbj n ASP 211 Cb 0.86 -0.54 0.19 0.00 -1.03 0.00 0.00 41.12 40.60 2wbj n ASP 211 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wbj s SER 212 N -3.06 2.26 0.85 -1.12 1.04 -1.00 -5.04 113.70 107.63 2wbj s SER 212 Ca 0.35 1.55 -0.12 0.00 0.48 0.00 0.00 55.95 58.21 2wbj s SER 212 Cb 0.41 -2.23 0.10 0.00 0.10 0.00 0.00 66.02 64.41 2wbj s SER 212 CO -0.04 -3.41 1.18 -0.13 0.98 0.00 0.00 173.24 171.82 2wbj s ARG 213 N -4.71 1.66 0.23 4.02 0.52 -1.26 -4.88 118.95 114.52 2wbj s ARG 213 Ca 0.66 0.12 0.12 0.00 -0.52 0.00 0.00 55.73 56.11 2wbj s ARG 213 Cb -0.21 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.30 2wbj s ARG 213 CO 0.60 -1.81 -0.22 0.71 0.02 0.00 0.00 175.30 174.60 2wbj s TYR 214 N -3.52 2.30 -0.00 -0.53 2.02 0.05 -1.38 117.35 116.30 2wbj s TYR 214 Ca 0.63 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 57.00 2wbj s TYR 214 Cb -0.12 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 2wbj s TYR 214 CO 0.50 0.58 -0.06 -1.54 -1.57 0.00 0.00 175.55 173.46 2wbj s SER 215 N -2.99 0.72 0.05 2.29 1.04 -0.65 -0.46 113.70 113.70 2wbj s SER 215 Ca 0.24 -0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.62 2wbj s SER 215 Cb -0.07 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2wbj s SER 215 CO 0.12 0.07 -0.17 -0.22 0.98 0.00 0.00 173.24 174.01 2wbj s LEU 216 N -0.17 2.20 0.23 2.42 0.20 0.27 -1.64 118.68 122.18 2wbj s LEU 216 Ca 0.02 -0.53 0.08 0.00 0.69 0.00 0.00 54.13 54.39 2wbj s LEU 216 Cb -0.02 -0.77 -0.05 0.00 -0.43 0.00 0.00 46.19 44.91 2wbj s LEU 216 CO -0.00 0.08 -0.12 -0.94 -0.29 0.00 0.00 176.35 175.07 2wbj s SER 217 N -1.31 2.66 -0.02 3.68 1.04 -1.26 -1.37 113.70 117.12 2wbj s SER 217 Ca 0.04 -1.07 -0.13 0.00 0.48 0.00 0.00 55.95 55.27 2wbj s SER 217 Cb -0.09 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.90 2wbj s SER 217 CO 0.02 -0.21 0.27 -0.55 0.98 0.00 0.00 173.24 173.75 2wbj s SER 218 N -3.36 -0.16 -0.09 7.02 0.15 -0.70 -2.68 113.70 113.88 2wbj s SER 218 Ca 0.25 0.07 0.04 0.00 0.70 0.00 0.00 55.95 57.01 2wbj s SER 218 Cb 0.00 0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2wbj s SER 218 CO 0.09 -0.40 -0.24 0.00 1.20 0.00 0.00 173.24 173.89 2wbj s ARG 219 N -1.19 2.94 -0.28 5.44 3.03 0.91 0.11 118.95 129.90 2wbj s ARG 219 Ca -0.12 -0.87 -0.09 0.00 2.03 0.00 0.00 55.73 56.68 2wbj s ARG 219 Cb -0.05 -2.25 -0.03 0.00 -1.03 0.00 0.00 34.95 31.59 2wbj s ARG 219 CO 0.03 0.20 0.13 -1.17 -1.13 0.00 0.00 175.30 173.36 2wbj s LEU 220 N 0.29 3.80 -0.44 -1.89 1.98 -0.18 -0.79 118.68 121.45 2wbj s LEU 220 Ca -0.17 -0.27 0.03 0.00 -2.89 0.00 0.00 54.13 50.83 2wbj s LEU 220 Cb -0.17 -1.99 0.12 0.00 0.66 0.00 0.00 46.19 44.81 2wbj s LEU 220 CO 0.08 -0.09 0.20 -0.60 -1.89 0.00 0.00 176.35 174.05 2wbj s ARG 221 N 1.65 1.55 0.43 1.98 3.52 -0.79 -0.49 118.95 126.81 2wbj s ARG 221 Ca 0.06 -2.15 0.03 0.00 -0.13 0.00 0.00 55.73 53.54 2wbj s ARG 221 Cb -0.16 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 2wbj s ARG 221 CO 0.06 -1.09 0.07 0.14 -0.81 0.00 0.00 175.30 173.68 2wbj s VAL 222 N 0.30 0.92 0.00 7.11 -7.23 -1.23 -4.77 120.40 115.50 2wbj s VAL 222 Ca 0.15 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 2wbj s VAL 222 Cb -0.24 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.33 2wbj s VAL 222 CO -0.04 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.55 2wbj n SER 223 N -1.21 0.00 0.04 4.85 7.64 -1.26 -4.21 113.62 119.47 2wbj n SER 223 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2wbj n SER 223 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 2wbj n SER 223 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wbj n ALA 224 N -1.11 3.00 -0.04 -0.43 0.00 -1.26 -0.96 120.51 119.72 2wbj n ALA 224 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2wbj n ALA 224 Cb 0.00 0.14 0.61 0.00 0.00 0.00 0.00 19.45 20.20 2wbj n ALA 224 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wbj h THR 225 N 0.00 0.79 -0.38 0.00 2.02 -1.95 -3.01 112.91 110.38 2wbj h THR 225 Ca 0.00 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 2wbj h THR 225 Cb 0.00 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2wbj h THR 225 CO 0.00 0.03 0.05 0.15 0.37 0.00 0.00 175.52 176.12 2wbj h PHE 226 N 0.17 0.68 0.00 3.16 3.57 -1.91 -2.00 116.94 120.61 2wbj h PHE 226 Ca 0.27 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2wbj h PHE 226 Cb 0.84 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 2wbj h PHE 226 CO -0.00 0.69 -0.10 2.35 -2.23 0.00 0.00 178.31 179.02 2wbj h TRP 227 N 0.48 0.00 -0.60 0.41 2.91 -1.79 -3.26 115.95 114.11 2wbj h TRP 227 Ca 0.11 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.98 2wbj h TRP 227 Cb 0.38 0.00 -0.09 0.00 -0.51 0.00 0.00 29.16 28.94 2wbj h TRP 227 CO 0.03 0.10 0.19 1.04 -1.03 0.00 0.00 178.44 178.77 2wbj n GLN 228 N -3.91 3.44 -4.55 2.65 6.02 -0.75 -2.54 117.38 117.75 2wbj n GLN 228 Ca -0.02 -2.55 -0.26 0.00 -0.01 0.00 0.00 57.00 54.16 2wbj n GLN 228 Cb 0.19 -2.08 -0.17 0.00 1.02 0.00 0.00 30.24 29.21 2wbj n GLN 228 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wbj s ASN 229 N -0.72 2.03 0.00 1.08 4.22 -1.23 -4.34 114.94 115.98 2wbj s ASN 229 Ca 0.45 -0.34 0.20 0.00 -2.14 0.00 0.00 52.86 51.03 2wbj s ASN 229 Cb 0.36 -0.92 1.15 0.00 1.28 0.00 0.00 41.25 43.12 2wbj s ASN 229 CO 0.12 0.03 1.58 -2.65 -2.04 0.00 0.00 177.10 174.13 2wbj n PRO 230 N 3.97 0.57 0.19 3.55 -0.02 -1.26 -2.34 135.00 139.66 2wbj n PRO 230 Ca -0.21 0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.42 2wbj n PRO 230 Cb 0.52 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.87 2wbj n PRO 230 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wbj h ARG 231 N 0.00 0.00 -6.21 -0.52 3.08 -1.96 -3.41 114.38 105.36 2wbj h ARG 231 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2wbj h ARG 231 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2wbj h ARG 231 CO 0.00 0.00 0.11 -0.80 -1.07 0.00 0.00 179.97 178.21 2wbj s ASN 232 N -5.44 7.12 -0.29 7.04 0.01 -0.99 -5.02 114.94 117.38 2wbj s ASN 232 Ca 0.06 1.34 0.01 0.00 -0.71 0.00 0.00 52.86 53.57 2wbj s ASN 232 Cb 0.08 -2.43 0.06 0.00 0.41 0.00 0.00 41.25 39.37 2wbj s ASN 232 CO 0.59 0.02 -0.05 -2.28 -1.51 0.00 0.00 177.10 173.88 2wbj s HIS 233 N 0.02 3.31 -0.10 2.20 5.65 -1.26 -2.70 115.29 122.42 2wbj s HIS 233 Ca 0.36 -2.21 -0.13 0.00 0.25 0.00 0.00 55.06 53.34 2wbj s HIS 233 Cb -0.20 -2.11 -0.05 0.00 -1.18 0.00 0.00 32.58 29.05 2wbj s HIS 233 CO 0.21 -0.86 0.30 -0.06 -0.65 0.00 0.00 174.74 173.68 2wbj s PHE 234 N 1.14 3.59 -0.08 3.88 0.40 -0.97 -1.41 117.98 124.54 2wbj s PHE 234 Ca -0.06 0.72 -0.03 0.00 -0.60 0.00 0.00 56.93 56.96 2wbj s PHE 234 Cb -0.20 -2.23 0.04 0.00 0.51 0.00 0.00 43.02 41.14 2wbj s PHE 234 CO -0.04 0.49 0.17 0.50 0.70 0.00 0.00 175.22 177.04 2wbj s ARG 235 N -0.40 0.08 -0.20 0.44 3.52 -0.10 -0.84 118.95 121.44 2wbj s ARG 235 Ca 0.19 0.48 -0.13 0.00 -0.13 0.00 0.00 55.73 56.14 2wbj s ARG 235 Cb -0.14 -0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 33.00 2wbj s ARG 235 CO 0.07 -0.23 0.27 0.00 -0.81 0.00 0.00 175.30 174.60 2wbj s GLN 237 N 0.89 2.64 -0.29 0.00 0.74 -0.35 -1.42 119.66 121.86 2wbj s GLN 237 Ca 0.14 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.85 2wbj s GLN 237 Cb -0.13 -2.12 0.08 0.00 1.10 0.00 0.00 33.01 31.94 2wbj s GLN 237 CO 0.05 0.03 -0.03 0.08 -0.55 0.00 0.00 175.29 174.87 2wbj s VAL 238 N 0.72 2.08 -0.23 1.34 1.01 -0.55 -0.89 120.40 123.87 2wbj s VAL 238 Ca -0.11 -1.87 -0.29 0.00 0.00 0.00 0.00 61.98 59.71 2wbj s VAL 238 Cb -0.16 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2wbj s VAL 238 CO 0.02 -0.30 1.23 -1.58 0.00 0.00 0.00 175.10 174.47 2wbj s GLN 239 N 1.08 4.11 -0.09 2.72 2.00 -0.90 -1.98 119.66 126.59 2wbj s GLN 239 Ca 0.00 1.43 -0.03 0.00 -2.00 0.00 0.00 55.36 54.77 2wbj s GLN 239 Cb -0.19 -3.79 -0.03 0.00 0.80 0.00 0.00 33.01 29.80 2wbj s GLN 239 CO -0.07 -0.85 0.02 0.12 -0.50 0.00 0.00 175.29 174.00 2wbj s PHE 240 N 3.77 3.22 -0.36 1.67 5.36 0.21 -1.99 117.98 129.86 2wbj s PHE 240 Ca 0.53 0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 56.70 2wbj s PHE 240 Cb -0.18 -1.82 0.08 0.00 -0.34 0.00 0.00 43.02 40.76 2wbj s PHE 240 CO 0.16 0.49 0.12 0.71 -1.46 0.00 0.00 175.22 175.24 2wbj s TYR 241 N -0.86 3.43 0.00 10.12 2.02 -0.86 -1.76 117.35 129.44 2wbj s TYR 241 Ca 0.13 -2.10 0.00 0.00 -0.37 0.00 0.00 57.07 54.73 2wbj s TYR 241 Cb -0.11 -2.71 0.00 0.00 -0.40 0.00 0.00 41.96 38.74 2wbj s TYR 241 CO 0.02 -0.88 0.00 0.41 -1.57 0.00 0.00 175.55 173.53 2wbj n GLY 242 N 4.63 5.15 3.78 0.71 0.00 -1.26 -4.79 105.19 113.41 2wbj n GLY 242 Ca -0.07 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2wbj n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wbj s LEU 243 N 0.00 4.03 0.77 0.99 1.43 0.06 -4.35 118.68 121.61 2wbj s LEU 243 Ca 0.00 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 2wbj s LEU 243 Cb 0.00 -4.30 0.06 0.00 0.03 0.00 0.00 46.19 41.98 2wbj s LEU 243 CO 0.00 -0.69 1.14 -0.94 0.23 0.00 0.00 176.35 176.09 2wbj s SER 244 N -1.62 4.80 0.49 2.29 1.04 -1.26 -3.56 113.70 115.87 2wbj s SER 244 Ca 0.62 0.84 0.33 0.00 0.48 0.00 0.00 55.95 58.21 2wbj s SER 244 Cb -0.22 -1.43 1.46 0.00 0.10 0.00 0.00 66.02 65.93 2wbj s SER 244 CO 0.27 -1.71 1.97 1.05 0.98 0.00 0.00 173.24 175.80 2wbj h GLU 245 N -0.89 0.00 -0.05 4.02 9.09 -2.01 -2.61 114.58 122.13 2wbj h GLU 245 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 2wbj h GLU 245 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 2wbj h GLU 245 CO 0.65 0.00 0.00 -1.71 0.05 0.00 0.00 179.01 178.00 2wbj n ASN 246 N -2.83 1.61 -4.84 3.06 5.15 -1.26 -4.92 115.26 111.23 2wbj n ASN 246 Ca 0.00 -1.57 -0.32 0.00 -0.60 0.00 0.00 54.58 52.09 2wbj n ASN 246 Cb 0.22 -0.03 -0.06 0.00 -0.53 0.00 0.00 39.78 39.39 2wbj n ASN 246 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2wbj s ASP 247 N -1.90 6.79 0.05 1.20 1.11 -0.99 -5.04 116.67 117.89 2wbj s ASP 247 Ca 0.36 1.53 -0.31 0.00 0.18 0.00 0.00 52.55 54.31 2wbj s ASP 247 Cb 0.20 -2.48 -0.05 0.00 1.07 0.00 0.00 42.92 41.66 2wbj s ASP 247 CO 0.32 -0.39 1.19 -0.70 1.18 0.00 0.00 175.17 176.77 2wbj s GLU 248 N -3.42 4.43 -0.07 8.23 2.56 -1.26 -4.98 118.70 124.19 2wbj s GLU 248 Ca 0.59 1.75 -0.03 0.00 0.00 0.00 0.00 54.97 57.28 2wbj s GLU 248 Cb -0.10 -3.36 0.04 0.00 2.00 0.00 0.00 34.13 32.72 2wbj s GLU 248 CO 0.20 -0.26 0.15 -0.46 -0.56 0.00 0.00 175.26 174.33 2wbj s TRP 249 N 1.11 -0.16 0.00 5.30 -0.11 -1.26 -5.02 118.94 118.80 2wbj s TRP 249 Ca 0.58 0.51 0.00 0.00 1.22 0.00 0.00 56.10 58.42 2wbj s TRP 249 Cb -0.29 -0.16 0.00 0.00 -1.50 0.00 0.00 33.47 31.52 2wbj s TRP 249 CO 0.29 -0.20 0.07 0.25 -4.62 0.00 0.00 176.95 172.73 2wbj n THR 250 N 4.64 0.00 -1.31 5.86 -2.24 -1.26 -5.09 114.28 114.88 2wbj n THR 250 Ca -0.18 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 2wbj n THR 250 Cb 0.51 1.17 0.11 0.00 -2.10 0.00 0.00 70.33 70.02 2wbj n THR 250 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wbj s GLN 251 N -0.31 1.70 0.01 -0.78 1.11 -1.26 -5.00 119.66 115.13 2wbj s GLN 251 Ca 0.00 0.85 -0.25 0.00 0.01 0.00 0.00 55.36 55.97 2wbj s GLN 251 Cb 0.00 -1.86 -0.18 0.00 -1.01 0.00 0.00 33.01 29.96 2wbj s GLN 251 CO 0.00 -1.94 1.35 -0.44 0.01 0.00 0.00 175.29 174.27 2wbj h ASP 252 N -1.33 -0.11 -4.14 5.90 3.32 -2.06 -3.46 116.42 114.54 2wbj h ASP 252 Ca -0.48 -0.29 -0.51 0.00 0.02 0.00 0.00 57.03 55.77 2wbj h ASP 252 Cb 1.27 0.03 0.19 0.00 0.22 0.00 0.00 39.33 41.04 2wbj h ASP 252 CO 0.55 0.24 0.20 0.00 -1.72 0.00 0.00 179.24 178.51 2wbj s ARG 253 N -4.76 0.85 0.30 3.56 1.70 -1.26 -4.90 118.95 114.44 2wbj s ARG 253 Ca -0.15 1.42 -0.30 0.00 -0.47 0.00 0.00 55.73 56.23 2wbj s ARG 253 Cb 0.03 -1.72 -0.11 0.00 -0.57 0.00 0.00 34.95 32.58 2wbj s ARG 253 CO 0.63 -2.70 1.59 0.00 -1.08 0.00 0.00 175.30 173.74 2wbj s ALA 254 N -2.65 3.74 0.10 7.88 0.00 -1.26 -4.92 121.76 124.65 2wbj s ALA 254 Ca 0.66 1.58 -0.35 0.00 0.00 0.00 0.00 51.96 53.85 2wbj s ALA 254 Cb -0.23 -3.65 -0.15 0.00 0.00 0.00 0.00 23.12 19.09 2wbj s ALA 254 CO 0.59 -1.00 1.48 1.17 0.00 0.00 0.00 175.76 178.00 2wbj n LYS 255 N 2.06 1.62 -1.52 0.00 4.81 -1.26 -4.86 118.16 119.02 2wbj n LYS 255 Ca 0.08 0.59 -0.40 0.00 -0.87 0.00 0.00 58.31 57.70 2wbj n LYS 255 Cb 0.37 -2.29 -0.01 0.00 0.02 0.00 0.00 35.03 33.12 2wbj n LYS 255 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wbj n PRO 256 N 3.14 3.06 -1.87 1.64 -0.05 -1.26 -4.94 135.00 134.71 2wbj n PRO 256 Ca 0.18 -2.38 -0.36 0.00 -0.05 0.00 0.00 63.50 60.89 2wbj n PRO 256 Cb 0.23 -3.07 0.05 0.00 -0.05 0.00 0.00 33.50 30.66 2wbj n PRO 256 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2wbj s VAL 257 N 2.94 2.42 0.02 0.52 1.01 -1.26 -0.76 120.40 125.28 2wbj s VAL 257 Ca 0.55 0.25 -0.35 0.00 0.00 0.00 0.00 61.98 62.44 2wbj s VAL 257 Cb 0.15 -3.06 -0.13 0.00 0.00 0.00 0.00 36.38 33.33 2wbj s VAL 257 CO -0.07 -0.06 1.69 1.07 0.00 0.00 0.00 175.10 177.73 2wbj n THR 258 N -1.82 0.26 -3.86 3.92 5.66 -1.23 -4.45 114.28 112.75 2wbj n THR 258 Ca 0.14 -0.05 -0.08 0.00 -3.05 0.00 0.00 64.05 61.02 2wbj n THR 258 Cb 0.49 -1.57 -0.03 0.00 -1.55 0.00 0.00 70.33 67.67 2wbj n THR 258 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wbj s GLN 259 N 2.35 1.73 -0.26 1.09 -2.07 -0.72 -4.89 119.66 116.88 2wbj s GLN 259 Ca 0.87 -1.01 -0.01 0.00 -1.82 0.00 0.00 55.36 53.38 2wbj s GLN 259 Cb -0.75 0.59 0.04 0.00 -1.09 0.00 0.00 33.01 31.80 2wbj s GLN 259 CO 0.47 -0.78 -0.05 0.96 -1.32 0.00 0.00 175.29 174.57 2wbj s ILE 260 N -3.93 2.83 -0.18 3.63 -0.00 -1.26 -0.62 121.20 121.67 2wbj s ILE 260 Ca 0.12 -1.19 -0.09 0.00 -0.00 0.00 0.00 60.65 59.49 2wbj s ILE 260 Cb -0.05 -2.52 -0.05 0.00 -0.00 0.00 0.00 42.46 39.85 2wbj s ILE 260 CO 0.06 0.09 0.13 0.68 -0.00 0.00 0.00 174.94 175.90 2wbj s VAL 261 N 1.28 5.43 0.05 8.37 -7.23 -0.84 -4.93 120.40 122.53 2wbj s VAL 261 Ca -0.02 0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.36 2wbj s VAL 261 Cb -0.18 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 2wbj s VAL 261 CO -0.04 0.49 -0.08 -0.94 -0.31 0.00 0.00 175.10 174.22 2wbj s SER 262 N -0.02 0.95 0.11 4.85 1.04 -1.26 -1.49 113.70 117.88 2wbj s SER 262 Ca 0.10 -0.61 0.07 0.00 0.48 0.00 0.00 55.95 55.98 2wbj s SER 262 Cb -0.11 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 2wbj s SER 262 CO -0.00 -0.23 -0.17 0.00 0.98 0.00 0.00 173.24 173.82 2wbj s ALA 263 N -1.66 1.59 0.06 5.32 0.00 -0.51 -4.92 121.76 121.65 2wbj s ALA 263 Ca -0.07 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 50.73 2wbj s ALA 263 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2wbj s ALA 263 CO -0.00 0.24 -0.15 -1.83 0.00 0.00 0.00 175.76 174.02 2wbj s GLU 264 N -2.13 0.88 0.23 0.00 -1.05 -1.26 -0.59 118.70 114.77 2wbj s GLU 264 Ca 0.06 -0.92 0.01 0.00 -0.15 0.00 0.00 54.97 53.96 2wbj s GLU 264 Cb -0.08 -0.91 -0.05 0.00 -0.44 0.00 0.00 34.13 32.65 2wbj s GLU 264 CO 0.04 0.21 0.09 0.00 0.95 0.00 0.00 175.26 176.55 2wbj s ALA 265 N -1.15 1.49 0.03 -0.84 0.00 -0.02 -4.86 121.76 116.41 2wbj s ALA 265 Ca -0.00 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.21 2wbj s ALA 265 Cb -0.09 1.07 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 2wbj s ALA 265 CO 0.02 -0.48 -0.09 -1.58 0.00 0.00 0.00 175.76 173.64 2wbj s TRP 266 N -3.87 0.74 0.59 0.00 0.52 -1.26 -2.28 118.94 113.38 2wbj s TRP 266 Ca 0.36 -0.36 -0.20 0.00 0.02 0.00 0.00 56.10 55.92 2wbj s TRP 266 Cb 0.07 -0.45 -0.04 0.00 -1.15 0.00 0.00 33.47 31.91 2wbj s TRP 266 CO 0.11 -0.04 1.18 0.41 0.02 0.00 0.00 176.95 178.64 2wbj n GLY 267 N 1.92 0.26 0.00 0.98 0.00 -1.10 -5.01 105.19 102.25 2wbj n GLY 267 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2wbj n GLY 267 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wbj n ARG 268 N -1.21 0.00 0.00 1.61 1.85 -1.05 -4.09 116.66 113.77 2wbj n ARG 268 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 2wbj n ARG 268 Cb 0.46 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 2wbj n ARG 268 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49