#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw2 s GLU 2 N 0.00 2.20 0.21 0.00 -1.05 -1.26 -4.31 118.70 114.48 2bw2 s GLU 2 Ca 0.00 -2.23 0.01 0.00 -0.15 0.00 0.00 54.97 52.60 2bw2 s GLU 2 Cb 0.00 -1.74 -0.05 0.00 -0.44 0.00 0.00 34.13 31.91 2bw2 s GLU 2 CO 0.00 -0.39 0.07 0.08 0.95 0.00 0.00 175.26 175.97 2bw2 s VAL 3 N -2.81 0.43 -0.07 1.83 1.01 -1.26 -4.21 120.40 115.31 2bw2 s VAL 3 Ca 0.18 -1.98 0.02 0.00 0.00 0.00 0.00 61.98 60.21 2bw2 s VAL 3 Cb 0.01 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2bw2 s VAL 3 CO 0.11 -0.20 -0.13 -1.61 0.00 0.00 0.00 175.10 173.26 2bw2 s GLU 4 N -4.03 2.77 2.21 2.72 2.02 -1.26 -5.05 118.70 118.08 2bw2 s GLU 4 Ca 0.32 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.63 2bw2 s GLU 4 Cb 0.07 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2bw2 s GLU 4 CO 0.09 0.52 0.00 0.72 0.02 0.00 0.00 175.26 176.61 2bw2 n HIS 5 N 2.63 -1.77 0.97 1.61 8.25 -1.26 -4.05 115.22 121.60 2bw2 n HIS 5 Ca -0.17 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.40 2bw2 n HIS 5 Cb 0.52 0.28 0.17 0.00 1.12 0.00 0.00 29.99 32.08 2bw2 n HIS 5 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bw2 n TYR 6 N -1.55 0.02 -1.47 4.41 4.02 -1.26 -4.93 117.16 116.40 2bw2 n TYR 6 Ca 0.00 0.01 -0.33 0.00 -0.01 0.00 0.00 57.90 57.57 2bw2 n TYR 6 Cb 0.00 -0.22 0.08 0.00 -0.02 0.00 0.00 39.34 39.18 2bw2 n TYR 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2bw2 s GLU 7 N -3.01 2.35 0.26 -0.72 0.41 -1.26 -5.06 118.70 111.67 2bw2 s GLU 7 Ca 0.10 1.46 -0.04 0.00 -0.41 0.00 0.00 54.97 56.07 2bw2 s GLU 7 Cb 0.17 -1.89 0.06 0.00 -1.78 0.00 0.00 34.13 30.69 2bw2 s GLU 7 CO 0.74 -1.61 0.31 -2.30 -0.49 0.00 0.00 175.26 171.90 2bw2 n PRO 8 N -2.89 -0.69 -4.39 0.39 -0.02 -1.26 -4.76 135.00 121.38 2bw2 n PRO 8 Ca 0.11 -0.48 -0.33 0.00 -2.02 0.00 0.00 63.50 60.79 2bw2 n PRO 8 Cb 0.52 -0.35 -0.16 0.00 -0.02 0.00 0.00 33.50 33.48 2bw2 n PRO 8 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bw2 s LEU 9 N 0.00 2.13 -0.47 2.45 1.98 0.29 -4.87 118.68 120.19 2bw2 s LEU 9 Ca 0.18 -0.62 -0.22 0.00 -2.89 0.00 0.00 54.13 50.58 2bw2 s LEU 9 Cb -0.01 -1.47 0.03 0.00 0.66 0.00 0.00 46.19 45.41 2bw2 s LEU 9 CO 0.13 0.04 0.74 -1.10 -1.89 0.00 0.00 176.35 174.27 2bw2 s GLN 10 N 1.05 3.31 -0.12 1.98 -0.21 -1.26 -0.27 119.66 124.14 2bw2 s GLN 10 Ca -0.01 -0.34 -0.01 0.00 0.02 0.00 0.00 55.36 55.02 2bw2 s GLN 10 Cb -0.14 -3.98 -0.02 0.00 1.00 0.00 0.00 33.01 29.86 2bw2 s GLN 10 CO -0.07 -1.15 -0.09 0.08 -2.12 0.00 0.00 175.29 171.93 2bw2 s VAL 11 N 3.13 3.42 -0.56 1.09 1.01 0.60 -4.76 120.40 124.33 2bw2 s VAL 11 Ca 0.25 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2bw2 s VAL 11 Cb -0.14 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 33.91 2bw2 s VAL 11 CO 0.19 0.53 0.58 -2.28 0.00 0.00 0.00 175.10 174.13 2bw2 s HIS 12 N 0.06 3.14 -0.32 5.22 2.46 0.73 -0.39 115.29 126.19 2bw2 s HIS 12 Ca -0.03 -1.11 -0.14 0.00 0.47 0.00 0.00 55.06 54.25 2bw2 s HIS 12 Cb -0.14 -3.84 -0.02 0.00 -0.13 0.00 0.00 32.58 28.45 2bw2 s HIS 12 CO 0.04 -1.12 0.32 0.08 -2.47 0.00 0.00 174.74 171.59 2bw2 s VAL 13 N 2.09 5.21 -0.35 0.89 1.01 0.11 -0.27 120.40 129.08 2bw2 s VAL 13 Ca 0.07 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 2bw2 s VAL 13 Cb -0.27 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 2bw2 s VAL 13 CO 0.05 0.02 0.49 -1.58 0.00 0.00 0.00 175.10 174.07 2bw2 s GLN 14 N 1.95 3.61 -0.44 2.72 0.74 0.52 -0.22 119.66 128.55 2bw2 s GLN 14 Ca 0.11 -0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.18 2bw2 s GLN 14 Cb -0.16 -3.81 0.06 0.00 1.10 0.00 0.00 33.01 30.20 2bw2 s GLN 14 CO 0.11 -0.63 0.32 -0.51 -0.55 0.00 0.00 175.29 174.04 2bw2 s LEU 15 N 2.33 5.32 0.05 3.68 1.43 0.57 -0.88 118.68 131.19 2bw2 s LEU 15 Ca 0.18 -1.30 -0.13 0.00 -1.03 0.00 0.00 54.13 51.85 2bw2 s LEU 15 Cb -0.16 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 2bw2 s LEU 15 CO 0.13 -0.56 0.43 -1.61 0.23 0.00 0.00 176.35 174.96 2bw2 s GLU 16 N 1.57 3.87 -0.32 1.70 2.02 0.30 -0.80 118.70 127.03 2bw2 s GLU 16 Ca 0.04 0.34 0.03 0.00 0.02 0.00 0.00 54.97 55.39 2bw2 s GLU 16 Cb -0.23 -3.09 0.09 0.00 0.10 0.00 0.00 34.13 31.00 2bw2 s GLU 16 CO 0.06 0.61 0.02 0.15 0.02 0.00 0.00 175.26 176.12 2bw2 s LYS 17 N -1.53 1.76 -0.31 1.61 1.02 0.06 0.03 119.74 122.38 2bw2 s LYS 17 Ca 0.29 -1.71 -0.20 0.00 0.02 0.00 0.00 55.97 54.37 2bw2 s LYS 17 Cb -0.15 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2bw2 s LYS 17 CO 0.16 -0.84 0.63 0.08 -0.92 0.00 0.00 175.35 174.45 2bw2 s VAL 18 N 0.99 4.93 0.53 3.17 1.01 0.63 -1.45 120.40 130.21 2bw2 s VAL 18 Ca 0.05 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 2bw2 s VAL 18 Cb -0.20 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2bw2 s VAL 18 CO -0.07 -0.16 0.77 -0.31 0.00 0.00 0.00 175.10 175.33 2bw2 s TYR 19 N 2.61 3.07 0.30 5.22 1.51 0.05 -0.08 117.35 130.03 2bw2 s TYR 19 Ca 0.25 0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 56.52 2bw2 s TYR 19 Cb -0.15 -2.60 0.45 0.00 -0.11 0.00 0.00 41.96 39.55 2bw2 s TYR 19 CO 0.12 -0.70 1.89 -0.07 -1.11 0.00 0.00 175.55 175.68 2bw2 h LEU 20 N 0.12 0.80 -0.12 -1.29 3.38 -1.72 -2.72 115.31 113.76 2bw2 h LEU 20 Ca -0.44 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2bw2 h LEU 20 Cb 1.27 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2bw2 h LEU 20 CO 0.56 0.70 0.00 -0.90 0.09 0.00 0.00 178.44 178.90 2bw2 n ASP 21 N -4.33 0.24 0.00 -0.43 5.75 -1.26 -4.87 116.55 111.64 2bw2 n ASP 21 Ca 0.05 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.37 2bw2 n ASP 21 Cb 0.15 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 2bw2 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bw2 n GLY 22 N 0.68 1.48 3.89 6.12 0.00 -1.02 -4.65 105.19 111.69 2bw2 n GLY 22 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2bw2 n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bw2 s ASP 23 N -1.83 6.36 -0.08 1.61 2.15 -1.26 -4.53 116.67 119.09 2bw2 s ASP 23 Ca 0.00 1.03 -0.03 0.00 0.43 0.00 0.00 52.55 53.97 2bw2 s ASP 23 Cb 0.00 -2.29 0.04 0.00 -0.30 0.00 0.00 42.92 40.38 2bw2 s ASP 23 CO 0.00 -0.52 0.16 0.54 -0.17 0.00 0.00 175.17 175.19 2bw2 s VAL 24 N -2.61 -0.15 0.00 1.11 0.11 -1.26 -0.77 120.40 116.84 2bw2 s VAL 24 Ca 0.49 0.25 -0.24 0.00 -2.93 0.00 0.00 61.98 59.55 2bw2 s VAL 24 Cb -0.10 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 2bw2 s VAL 24 CO 0.40 0.10 0.74 -0.55 -3.33 0.00 0.00 175.10 172.46 2bw2 s SER 25 N 1.67 7.12 -0.31 3.54 0.15 -0.53 -4.83 113.70 120.51 2bw2 s SER 25 Ca -0.04 1.34 -0.09 0.00 0.70 0.00 0.00 55.95 57.86 2bw2 s SER 25 Cb -0.12 -2.44 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2bw2 s SER 25 CO -0.06 -0.03 0.14 -0.63 1.20 0.00 0.00 173.24 173.86 2bw2 s ILE 26 N 0.26 4.51 0.06 6.45 -1.09 -1.26 -0.76 121.20 129.36 2bw2 s ILE 26 Ca 0.38 -0.46 0.06 0.00 -2.23 0.00 0.00 60.65 58.40 2bw2 s ILE 26 Cb -0.19 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2bw2 s ILE 26 CO 0.21 0.07 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.17 2bw2 s GLU 27 N 1.60 2.19 -0.18 2.79 2.56 0.02 -4.99 118.70 122.69 2bw2 s GLU 27 Ca 0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 54.97 54.05 2bw2 s GLU 27 Cb -0.17 -2.30 0.05 0.00 2.00 0.00 0.00 34.13 33.71 2bw2 s GLU 27 CO 0.06 0.54 -0.02 -1.01 -0.56 0.00 0.00 175.26 174.27 2bw2 s HIS 28 N -1.07 1.50 0.14 5.30 3.76 -1.26 -0.32 115.29 123.35 2bw2 s HIS 28 Ca 0.18 -1.03 0.09 0.00 -0.15 0.00 0.00 55.06 54.14 2bw2 s HIS 28 Cb -0.11 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 2bw2 s HIS 28 CO 0.09 -0.61 -0.13 0.15 -0.85 0.00 0.00 174.74 173.39 2bw2 s LYS 29 N 1.70 1.96 -0.25 1.40 1.02 0.70 -4.96 119.74 121.31 2bw2 s LYS 29 Ca -0.00 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 54.82 2bw2 s LYS 29 Cb -0.16 -2.17 0.06 0.00 -0.52 0.00 0.00 37.83 35.04 2bw2 s LYS 29 CO -0.07 0.47 -0.08 -3.38 -0.92 0.00 0.00 175.35 171.37 2bw2 s HIS 30 N -1.39 2.77 0.05 3.18 -3.43 -1.26 0.07 115.29 115.29 2bw2 s HIS 30 Ca 0.21 -2.01 0.06 0.00 -0.80 0.00 0.00 55.06 52.53 2bw2 s HIS 30 Cb -0.10 -1.73 -0.02 0.00 -1.43 0.00 0.00 32.58 29.29 2bw2 s HIS 30 CO 0.13 -0.82 -0.18 -1.83 -2.00 0.00 0.00 174.74 170.04 2bw2 s GLU 31 N 1.27 1.13 -0.14 -0.38 -1.05 0.48 -4.91 118.70 115.10 2bw2 s GLU 31 Ca -0.07 -0.89 -0.16 0.00 -0.15 0.00 0.00 54.97 53.70 2bw2 s GLU 31 Cb -0.19 -1.22 -0.04 0.00 -0.44 0.00 0.00 34.13 32.24 2bw2 s GLU 31 CO -0.06 0.30 0.38 0.15 0.95 0.00 0.00 175.26 176.99 2bw2 s LYS 32 N -1.28 4.30 -0.01 -4.83 1.02 -1.24 -0.29 119.74 117.41 2bw2 s LYS 32 Ca 0.04 0.26 0.07 0.00 0.02 0.00 0.00 55.97 56.37 2bw2 s LYS 32 Cb -0.09 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2bw2 s LYS 32 CO 0.02 0.20 -0.23 0.08 -0.92 0.00 0.00 175.35 174.50 2bw2 s VAL 33 N 0.54 2.32 0.23 3.17 1.01 0.63 -4.82 120.40 123.48 2bw2 s VAL 33 Ca 0.21 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 61.20 2bw2 s VAL 33 Cb -0.14 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.31 2bw2 s VAL 33 CO 0.07 0.53 1.53 -0.26 0.00 0.00 0.00 175.10 176.96 2bw2 h PHE 34 N 5.27 0.01 -3.26 5.22 0.04 -1.92 0.84 116.94 123.15 2bw2 h PHE 34 Ca -0.45 -0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.07 2bw2 h PHE 34 Cb 1.13 -0.00 -0.32 0.00 2.20 0.00 0.00 35.95 38.96 2bw2 h PHE 34 CO 0.44 0.72 -0.60 0.45 -0.60 0.00 0.00 178.31 178.72 2bw2 s SER 35 N -6.82 -0.10 0.50 2.17 0.15 -1.26 -4.68 113.70 103.67 2bw2 s SER 35 Ca -0.01 0.29 0.19 0.00 0.70 0.00 0.00 55.95 57.13 2bw2 s SER 35 Cb 0.12 0.18 1.26 0.00 -1.71 0.00 0.00 66.02 65.87 2bw2 s SER 35 CO 0.78 -0.15 2.05 0.24 1.20 0.00 0.00 173.24 177.35 2bw2 h MET 36 N 7.26 0.10 -0.99 5.44 2.86 -1.84 0.14 114.93 127.90 2bw2 h MET 36 Ca -0.43 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.28 2bw2 h MET 36 Cb 1.14 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.71 2bw2 h MET 36 CO 0.42 0.06 0.64 0.22 1.06 0.00 0.00 176.91 179.31 2bw2 h ASP 37 N 0.10 1.01 0.42 1.22 3.58 -1.83 0.52 116.42 121.44 2bw2 h ASP 37 Ca 0.17 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.40 2bw2 h ASP 37 Cb 0.55 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2bw2 h ASP 37 CO -0.02 0.63 -1.02 -0.78 -2.88 0.00 0.00 179.24 175.18 2bw2 h ASP 38 N 1.13 0.50 -0.36 2.28 3.58 -1.36 -2.39 116.42 119.80 2bw2 h ASP 38 Ca 0.43 -0.43 0.02 0.00 0.42 0.00 0.00 57.03 57.48 2bw2 h ASP 38 Cb 0.20 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2bw2 h ASP 38 CO -0.18 1.25 0.19 0.15 -2.88 0.00 0.00 179.24 177.77 2bw2 h PHE 39 N 0.18 0.34 -0.79 0.28 3.57 -0.46 0.15 116.94 120.23 2bw2 h PHE 39 Ca -0.09 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 2bw2 h PHE 39 Cb 1.67 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 2bw2 h PHE 39 CO 0.06 0.19 0.32 -1.49 -2.23 0.00 0.00 178.31 175.16 2bw2 h TRP 40 N 0.38 1.18 -0.00 0.41 -0.00 -0.88 -1.80 115.95 115.24 2bw2 h TRP 40 Ca 0.15 -0.08 -0.11 0.00 -0.00 0.00 0.00 58.89 58.85 2bw2 h TRP 40 Cb 0.05 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 28.84 2bw2 h TRP 40 CO -0.09 0.89 -0.54 0.00 -0.00 0.00 0.00 178.44 178.70 2bw2 h ALA 41 N 1.21 1.11 -0.26 1.49 0.00 -0.96 0.18 119.26 122.04 2bw2 h ALA 41 Ca 0.26 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2bw2 h ALA 41 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2bw2 h ALA 41 CO -0.02 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.82 2bw2 h ALA 42 N 1.46 0.36 -0.39 0.00 0.00 0.07 -3.20 119.26 117.57 2bw2 h ALA 42 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2bw2 h ALA 42 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2bw2 h ALA 42 CO 0.07 0.18 0.00 0.66 0.00 0.00 0.00 179.25 180.16 2bw2 n TYR 43 N -4.52 1.29 -0.34 0.00 4.01 -0.76 -4.63 117.16 112.20 2bw2 n TYR 43 Ca -0.04 -0.79 0.36 0.00 -0.16 0.00 0.00 57.90 57.27 2bw2 n TYR 43 Cb 0.32 -0.35 0.75 0.00 -0.31 0.00 0.00 39.34 39.75 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bw2 h ALA 44 N 2.63 3.14 -0.09 -0.72 0.00 -0.63 -0.50 119.26 123.09 2bw2 h ALA 44 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2bw2 h ALA 44 Cb 1.56 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2bw2 h ALA 44 CO 0.29 -1.49 -0.28 0.78 0.00 0.00 0.00 179.25 178.54 2bw2 h GLY 45 N 0.01 0.40 -2.49 0.00 0.00 -1.85 -3.46 103.07 95.67 2bw2 h GLY 45 Ca 0.58 -0.51 -0.57 0.00 0.00 0.00 0.00 47.33 46.83 2bw2 h GLY 45 CO -0.01 0.46 0.07 0.79 0.00 0.00 0.00 176.54 177.85 2bw2 n TRP 46 N -4.44 0.63 -2.86 5.60 7.02 -0.20 -4.94 117.44 118.25 2bw2 n TRP 46 Ca -0.08 0.42 -0.42 0.00 -1.02 0.00 0.00 57.50 56.40 2bw2 n TRP 46 Cb 0.47 -2.10 -0.04 0.00 -2.42 0.00 0.00 31.31 27.22 2bw2 n TRP 46 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2bw2 s THR 47 N -1.62 4.69 -0.25 -0.99 2.01 0.11 -4.83 115.64 114.76 2bw2 s THR 47 Ca 0.75 1.25 -0.29 0.00 0.31 0.00 0.00 61.69 63.71 2bw2 s THR 47 Cb -0.39 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 2bw2 s THR 47 CO 0.48 -0.37 1.41 -0.22 -0.69 0.00 0.00 174.62 175.22 2bw2 s LEU 48 N 3.20 3.93 -0.23 4.42 1.98 -1.26 -0.77 118.68 129.95 2bw2 s LEU 48 Ca 0.36 1.42 -0.17 0.00 -2.89 0.00 0.00 54.13 52.85 2bw2 s LEU 48 Cb -0.13 -3.54 -0.14 0.00 0.66 0.00 0.00 46.19 43.04 2bw2 s LEU 48 CO 0.15 -1.09 -0.12 0.52 -1.89 0.00 0.00 176.35 173.92 2bw2 n VAL 49 N 6.15 1.52 -3.65 1.68 0.31 0.24 -4.99 118.33 119.58 2bw2 n VAL 49 Ca 0.16 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2bw2 n VAL 49 Cb 0.46 -2.02 -0.07 0.00 -0.91 0.00 0.00 33.84 31.29 2bw2 n VAL 49 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2bw2 s GLU 50 N -2.46 0.87 -0.02 5.55 -1.05 -1.07 -5.02 118.70 115.50 2bw2 s GLU 50 Ca -0.32 -0.13 -0.07 0.00 -0.15 0.00 0.00 54.97 54.30 2bw2 s GLU 50 Cb 0.09 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.19 2bw2 s GLU 50 CO 0.50 -0.28 0.15 1.14 0.95 0.00 0.00 175.26 177.73 2bw2 s GLN 51 N -1.72 0.40 0.19 -4.83 -2.07 -1.26 -0.11 119.66 110.26 2bw2 s GLN 51 Ca -0.10 -0.21 -0.05 0.00 -1.82 0.00 0.00 55.36 53.19 2bw2 s GLN 51 Cb -0.02 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 2bw2 s GLN 51 CO 0.03 -0.09 0.21 -1.59 -1.32 0.00 0.00 175.29 172.54 2bw2 s LYS 52 N -0.94 1.20 0.57 9.60 -2.85 0.73 -5.00 119.74 123.05 2bw2 s LYS 52 Ca -0.10 -1.43 0.27 0.00 -1.00 0.00 0.00 55.97 53.71 2bw2 s LYS 52 Cb -0.06 0.32 1.67 0.00 -2.06 0.00 0.00 37.83 37.70 2bw2 s LYS 52 CO 0.01 -0.42 2.21 -0.22 0.10 0.00 0.00 175.35 177.04 2bw2 h LYS 53 N 2.59 0.00 0.00 1.78 1.63 -2.01 -2.09 116.57 118.47 2bw2 h LYS 53 Ca -0.33 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.42 2bw2 h LYS 53 Cb 1.24 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 2bw2 h LYS 53 CO 0.50 0.02 -1.82 0.41 -3.45 0.00 0.00 179.45 175.11 2bw2 n GLY 54 N -1.28 -0.77 2.86 5.01 0.00 -1.26 -4.88 105.19 104.87 2bw2 n GLY 54 Ca -0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2bw2 n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bw2 s TYR 55 N -3.04 0.21 -0.05 1.61 5.04 -0.79 -0.19 117.35 120.14 2bw2 s TYR 55 Ca -0.06 -0.00 0.03 0.00 -2.44 0.00 0.00 57.07 54.59 2bw2 s TYR 55 Cb 0.10 -0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.18 2bw2 s TYR 55 CO 0.69 -0.06 -0.14 0.08 -1.34 0.00 0.00 175.55 174.79 2bw2 s VAL 56 N 0.45 1.23 -0.27 3.14 1.01 0.63 -0.19 120.40 126.40 2bw2 s VAL 56 Ca -0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2bw2 s VAL 56 Cb -0.07 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2bw2 s VAL 56 CO -0.01 0.37 -0.00 -0.22 0.00 0.00 0.00 175.10 175.24 2bw2 s LEU 57 N 0.38 3.47 0.08 3.92 2.96 0.85 -0.35 118.68 129.98 2bw2 s LEU 57 Ca -0.10 -0.80 0.09 0.00 -0.22 0.00 0.00 54.13 53.10 2bw2 s LEU 57 Cb -0.14 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2bw2 s LEU 57 CO 0.03 -0.15 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.31 2bw2 s PHE 58 N 1.40 2.40 -0.01 5.38 0.08 -0.05 -0.59 117.98 126.58 2bw2 s PHE 58 Ca 0.01 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.76 2bw2 s PHE 58 Cb -0.17 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 40.90 2bw2 s PHE 58 CO -0.01 0.24 -0.16 -0.98 -0.10 0.00 0.00 175.22 174.20 2bw2 s ARG 59 N -1.62 1.33 -0.06 0.44 1.70 0.05 -0.54 118.95 120.25 2bw2 s ARG 59 Ca 0.14 -0.60 0.06 0.00 -0.47 0.00 0.00 55.73 54.85 2bw2 s ARG 59 Cb -0.10 -1.29 -0.01 0.00 -0.57 0.00 0.00 34.95 32.98 2bw2 s ARG 59 CO 0.05 0.35 -0.24 0.21 -1.08 0.00 0.00 175.30 174.59 2bw2 s LYS 60 N -0.42 2.54 -0.18 3.89 2.47 0.11 0.09 119.74 128.23 2bw2 s LYS 60 Ca 0.06 -0.87 -0.09 0.00 -1.56 0.00 0.00 55.97 53.52 2bw2 s LYS 60 Cb -0.06 -2.11 -0.05 0.00 -1.46 0.00 0.00 37.83 34.15 2bw2 s LYS 60 CO -0.01 0.33 0.11 -0.65 0.16 0.00 0.00 175.35 175.30 2bw2 s GLN 61 N -0.06 3.99 0.22 4.03 -0.21 -1.26 -0.27 119.66 126.10 2bw2 s GLN 61 Ca -0.06 -0.25 -0.10 0.00 0.02 0.00 0.00 55.36 54.97 2bw2 s GLN 61 Cb -0.14 -3.31 -0.07 0.00 1.00 0.00 0.00 33.01 30.49 2bw2 s GLN 61 CO 0.04 0.37 0.54 1.41 -2.12 0.00 0.00 175.29 175.54 2bw2 s MET 62 N 0.13 3.81 0.00 2.91 1.75 0.88 -4.88 119.30 123.89 2bw2 s MET 62 Ca 0.08 0.27 0.28 0.00 -1.25 0.00 0.00 55.69 55.07 2bw2 s MET 62 Cb -0.12 -2.67 1.14 0.00 2.84 0.00 0.00 34.83 36.02 2bw2 s MET 62 CO -0.00 0.33 1.84 -0.25 -0.65 0.00 0.00 175.02 176.29 2bw2 n ASP 63 N -0.06 0.19 -3.45 1.11 9.92 -1.26 -4.21 116.55 118.79 2bw2 n ASP 63 Ca -0.00 0.03 -0.21 0.00 -0.53 0.00 0.00 54.79 54.08 2bw2 n ASP 63 Cb 0.52 -0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 40.71 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2bw2 n ASP 64 N -1.35 1.08 -4.96 -2.24 5.75 -1.26 -4.96 116.55 108.61 2bw2 n ASP 64 Ca 0.09 -2.83 -0.22 0.00 -0.01 0.00 0.00 54.79 51.83 2bw2 n ASP 64 Cb 0.31 0.90 0.02 0.00 -1.03 0.00 0.00 41.12 41.32 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2bw2 s ILE 65 N -2.85 3.30 0.47 2.12 -4.36 -1.26 -3.34 121.20 115.28 2bw2 s ILE 65 Ca 0.18 -0.58 -0.22 0.00 -0.26 0.00 0.00 60.65 59.77 2bw2 s ILE 65 Cb 0.01 -3.23 -0.08 0.00 1.25 0.00 0.00 42.46 40.42 2bw2 s ILE 65 CO 0.13 -0.16 1.11 -0.44 0.24 0.00 0.00 174.94 175.82 2bw2 s SER 66 N -4.33 6.22 0.16 4.36 0.01 -1.26 -4.96 113.70 113.90 2bw2 s SER 66 Ca 0.53 2.16 -0.09 0.00 1.31 0.00 0.00 55.95 59.86 2bw2 s SER 66 Cb -0.10 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.56 2bw2 s SER 66 CO 0.38 -0.87 1.52 1.55 0.41 0.00 0.00 173.24 176.22 2bw2 h PRO 67 N 1.87 0.90 0.00 12.44 0.13 -2.01 -2.96 132.00 142.38 2bw2 h PRO 67 Ca -0.49 -0.44 -0.08 0.00 -0.87 0.00 0.00 66.00 64.11 2bw2 h PRO 67 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2bw2 h PRO 67 CO 0.60 1.10 -0.38 1.25 -0.23 0.00 0.00 178.00 180.33 2bw2 h LEU 68 N 0.74 0.00 -1.45 1.56 7.12 -2.00 -1.28 115.31 120.01 2bw2 h LEU 68 Ca 0.07 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.04 2bw2 h LEU 68 Cb 0.92 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 2bw2 h LEU 68 CO 0.09 0.38 -0.18 0.28 -0.13 0.00 0.00 178.44 178.88 2bw2 h SER 69 N 0.00 0.00 1.23 1.25 0.02 -1.87 0.64 113.55 114.82 2bw2 h SER 69 Ca -0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 2bw2 h SER 69 Cb 0.80 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2bw2 h SER 69 CO 0.05 0.18 -0.63 0.11 -1.14 0.00 0.00 176.83 175.40 2bw2 h LYS 70 N 0.00 0.00 0.13 3.45 1.57 -1.14 -0.06 116.57 120.51 2bw2 h LYS 70 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2bw2 h LYS 70 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2bw2 h LYS 70 CO 0.02 0.63 -1.69 -0.39 -0.57 0.00 0.00 179.45 177.46 2bw2 h VAL 71 N 0.00 0.85 0.00 0.50 -1.51 -1.17 -3.41 116.25 111.51 2bw2 h VAL 71 Ca -0.01 -2.38 -0.07 0.00 -1.23 0.00 0.00 66.70 63.00 2bw2 h VAL 71 Cb 1.42 2.61 -0.16 0.00 -2.13 0.00 0.00 31.29 33.03 2bw2 h VAL 71 CO 0.08 0.78 -0.67 0.59 -1.23 0.00 0.00 177.57 177.12 2bw2 n ASN 72 N -3.73 0.93 -4.76 4.19 3.02 0.13 -5.03 115.26 110.00 2bw2 n ASN 72 Ca -0.28 -2.40 -0.39 0.00 -0.03 0.00 0.00 54.58 51.48 2bw2 n ASN 72 Cb 0.98 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.77 2bw2 n ASN 72 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2bw2 s GLY 73 N -1.95 2.98 -0.24 7.41 0.00 -0.04 -0.46 107.32 115.04 2bw2 s GLY 73 Ca 0.23 0.63 -0.06 0.00 0.00 0.00 0.00 44.72 45.52 2bw2 s GLY 73 CO -0.08 1.15 0.46 -0.19 0.00 0.00 0.00 173.10 174.45 2bw2 s TYR 74 N -1.35 -0.98 -0.28 1.90 1.51 -0.67 -2.99 117.35 114.49 2bw2 s TYR 74 Ca 0.46 1.50 -0.29 0.00 -1.01 0.00 0.00 57.07 57.73 2bw2 s TYR 74 Cb -0.24 0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.95 2bw2 s TYR 74 CO 0.30 -0.61 1.22 0.42 -1.11 0.00 0.00 175.55 175.77 2bw2 s ILE 75 N 2.67 4.29 -0.06 2.71 1.01 -1.22 -0.04 121.20 130.55 2bw2 s ILE 75 Ca 0.04 1.48 0.04 0.00 0.00 0.00 0.00 60.65 62.21 2bw2 s ILE 75 Cb -0.13 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 2bw2 s ILE 75 CO -0.15 -0.40 -0.19 -0.83 0.00 0.00 0.00 174.94 173.36 2bw2 s GLY 76 N 2.28 1.05 0.04 6.18 0.00 0.36 -2.56 107.32 114.66 2bw2 s GLY 76 Ca 0.53 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.51 2bw2 s GLY 76 CO 0.19 -0.33 -0.02 -1.34 0.00 0.00 0.00 173.10 171.60 2bw2 s VAL 77 N 0.15 3.98 0.61 1.40 -7.23 -0.35 -2.16 120.40 116.81 2bw2 s VAL 77 Ca -0.08 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 2bw2 s VAL 77 Cb -0.14 -2.82 0.04 0.00 0.56 0.00 0.00 36.38 34.02 2bw2 s VAL 77 CO 0.04 0.27 0.88 -0.44 -0.31 0.00 0.00 175.10 175.54 2bw2 s SER 78 N -1.86 5.14 0.58 4.85 0.01 -1.04 -4.54 113.70 116.85 2bw2 s SER 78 Ca 0.22 0.28 0.28 0.00 1.31 0.00 0.00 55.95 58.04 2bw2 s SER 78 Cb -0.11 -1.09 1.50 0.00 0.21 0.00 0.00 66.02 66.53 2bw2 s SER 78 CO 0.13 -1.31 1.95 0.44 0.41 0.00 0.00 173.24 174.86 2bw2 h ASP 79 N -0.22 0.00 -0.33 2.44 3.32 -1.98 0.44 116.42 120.09 2bw2 h ASP 79 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2bw2 h ASP 79 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2bw2 h ASP 79 CO 0.57 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.68 2bw2 n ASN 80 N -3.83 3.55 -1.98 6.45 3.02 -1.26 -4.45 115.26 116.75 2bw2 n ASN 80 Ca 0.08 -2.48 -0.12 0.00 -0.03 0.00 0.00 54.58 52.02 2bw2 n ASN 80 Cb 0.60 -0.58 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 2bw2 n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bw2 n GLY 81 N 0.41 0.18 3.64 7.41 0.00 0.15 -2.47 105.19 114.52 2bw2 n GLY 81 Ca 0.15 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2bw2 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bw2 s VAL 82 N -3.11 4.31 -0.02 1.61 1.01 -1.07 -1.26 120.40 121.88 2bw2 s VAL 82 Ca 0.27 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.77 2bw2 s VAL 82 Cb -0.12 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.08 2bw2 s VAL 82 CO 0.33 -0.37 1.82 -0.38 0.00 0.00 0.00 175.10 176.51 2bw2 n ILE 83 N 5.85 1.88 -3.42 2.22 2.08 0.15 -2.49 119.36 125.64 2bw2 n ILE 83 Ca 0.14 -0.49 -0.37 0.00 0.56 0.00 0.00 62.75 62.59 2bw2 n ILE 83 Cb 0.46 -1.40 -0.06 0.00 -0.75 0.00 0.00 39.64 37.90 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2bw2 s SER 84 N 1.70 6.85 0.23 4.38 1.04 -0.92 -3.98 113.70 123.00 2bw2 s SER 84 Ca 0.02 1.04 -0.11 0.00 0.48 0.00 0.00 55.95 57.39 2bw2 s SER 84 Cb 0.02 -2.28 -0.07 0.00 0.10 0.00 0.00 66.02 63.79 2bw2 s SER 84 CO 0.00 0.23 0.57 0.42 0.98 0.00 0.00 173.24 175.44 2bw2 s THR 85 N -1.24 4.90 0.22 2.02 -4.23 -1.26 -0.49 115.64 115.57 2bw2 s THR 85 Ca 0.30 0.55 0.03 0.00 -1.18 0.00 0.00 61.69 61.39 2bw2 s THR 85 Cb -0.17 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 2bw2 s THR 85 CO 0.17 -0.06 0.00 -0.36 -0.54 0.00 0.00 174.62 173.83 2bw2 s PHE 86 N -1.81 1.50 -0.27 3.99 0.40 0.94 -0.69 117.98 122.04 2bw2 s PHE 86 Ca 0.47 -0.95 -0.06 0.00 -0.60 0.00 0.00 56.93 55.79 2bw2 s PHE 86 Cb -0.11 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.55 2bw2 s PHE 86 CO 0.21 -0.08 0.05 -1.01 0.70 0.00 0.00 175.22 175.09 2bw2 s HIS 87 N -3.47 3.10 0.00 0.36 3.76 -1.26 -1.66 115.29 116.12 2bw2 s HIS 87 Ca 0.28 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 2bw2 s HIS 87 Cb 0.06 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.53 2bw2 s HIS 87 CO 0.08 -0.54 0.00 0.41 -0.85 0.00 0.00 174.74 173.84 2bw2 n GLY 88 N 4.86 -0.03 3.68 -2.22 0.00 0.40 -4.81 105.19 107.06 2bw2 n GLY 88 Ca -0.15 -1.80 -0.51 0.00 0.00 0.00 0.00 46.02 43.55 2bw2 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bw2 n ARG 89 N 0.11 1.76 -2.15 1.61 5.12 -1.26 -4.64 116.66 117.22 2bw2 n ARG 89 Ca 0.00 0.64 -0.34 0.00 -1.93 0.00 0.00 57.85 56.23 2bw2 n ARG 89 Cb 0.00 -2.41 -0.04 0.00 -1.16 0.00 0.00 32.46 28.85 2bw2 n ARG 89 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2bw2 s PRO 90 N 2.92 2.75 0.28 5.56 0.04 -1.26 -4.56 135.00 140.73 2bw2 s PRO 90 Ca 0.91 -0.07 0.03 0.00 0.04 0.00 0.00 61.00 61.90 2bw2 s PRO 90 Cb -0.83 -4.79 -0.03 0.00 0.04 0.00 0.00 34.50 28.89 2bw2 s PRO 90 CO 0.52 -2.92 0.24 -1.83 0.04 0.00 0.00 177.00 173.05 2bw2 s GLU 91 N 6.68 1.55 0.35 4.56 -1.05 -1.26 -4.80 118.70 124.73 2bw2 s GLU 91 Ca 0.63 -1.84 0.26 0.00 -0.15 0.00 0.00 54.97 53.87 2bw2 s GLU 91 Cb -0.08 0.32 1.21 0.00 -0.44 0.00 0.00 34.13 35.13 2bw2 s GLU 91 CO 0.07 -0.56 1.79 -1.00 0.95 0.00 0.00 175.26 176.50 2bw2 h PRO 92 N 2.32 0.00 -0.04 -4.83 0.13 -2.02 0.12 132.00 127.68 2bw2 h PRO 92 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2bw2 h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2bw2 h PRO 92 CO 0.43 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.20 2bw2 n ALA 93 N -1.84 2.60 -2.49 -0.56 0.00 -1.26 -4.76 120.51 112.21 2bw2 n ALA 93 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 2bw2 n ALA 93 Cb 0.17 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 2bw2 n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bw2 s SER 94 N -1.78 2.98 -0.03 0.00 0.15 0.43 -5.11 113.70 110.35 2bw2 s SER 94 Ca 0.36 -1.28 0.01 0.00 0.70 0.00 0.00 55.95 55.74 2bw2 s SER 94 Cb 0.18 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.30 2bw2 s SER 94 CO 0.29 -0.43 -0.04 -1.61 1.20 0.00 0.00 173.24 172.65 2bw2 s GLU 95 N -3.76 0.69 0.37 5.44 2.02 -1.26 -4.68 118.70 117.52 2bw2 s GLU 95 Ca 0.33 -0.11 -0.28 0.00 0.02 0.00 0.00 54.97 54.93 2bw2 s GLU 95 Cb 0.06 -0.71 -0.11 0.00 0.10 0.00 0.00 34.13 33.47 2bw2 s GLU 95 CO 0.15 -0.04 1.42 -1.25 0.02 0.00 0.00 175.26 175.56 2bw2 s PRO 96 N 0.70 4.16 0.13 0.39 0.04 -1.26 -4.50 135.00 134.65 2bw2 s PRO 96 Ca -0.09 2.44 -0.06 0.00 0.04 0.00 0.00 61.00 63.33 2bw2 s PRO 96 Cb -0.12 -2.98 -0.10 0.00 0.04 0.00 0.00 34.50 31.34 2bw2 s PRO 96 CO -0.00 -0.43 1.31 0.82 0.04 0.00 0.00 177.00 178.73 2bw2 h ILE 97 N 2.95 1.37 -2.63 0.56 2.04 -1.27 -3.48 117.51 117.05 2bw2 h ILE 97 Ca -0.50 -2.34 0.01 0.00 1.00 0.00 0.00 64.86 63.03 2bw2 h ILE 97 Cb 1.24 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 2bw2 h ILE 97 CO 0.64 0.70 0.26 0.00 0.00 0.00 0.00 178.15 179.76 2bw2 n GLN 98 N -3.79 0.75 -3.67 2.37 0.00 -1.26 -4.90 117.38 106.89 2bw2 n GLN 98 Ca -0.07 -1.51 -0.14 0.00 0.00 0.00 0.00 57.00 55.27 2bw2 n GLN 98 Cb 0.82 1.92 -0.14 0.00 0.00 0.00 0.00 30.24 32.84 2bw2 n GLN 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2bw2 s SER 99 N -2.61 0.42 0.00 2.61 0.01 -1.26 -4.10 113.70 108.78 2bw2 s SER 99 Ca 0.13 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2bw2 s SER 99 Cb -0.03 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2bw2 s SER 99 CO 0.08 -0.24 0.05 0.49 0.41 0.00 0.00 173.24 174.03 2bw2 n PHE 100 N 5.30 0.00 -3.83 2.43 3.72 -1.26 -4.98 117.46 118.84 2bw2 n PHE 100 Ca -0.07 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.24 2bw2 n PHE 100 Cb 0.50 -0.36 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 2bw2 n PHE 100 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2bw2 n PHE 101 N -1.58 -1.25 -4.52 1.38 -1.74 -1.26 -4.98 117.46 103.51 2bw2 n PHE 101 Ca 0.00 -1.52 -0.24 0.00 -0.56 0.00 0.00 57.45 55.13 2bw2 n PHE 101 Cb 0.00 0.41 -0.14 0.00 1.52 0.00 0.00 39.48 41.27 2bw2 n PHE 101 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2bw2 s GLN 102 N -2.46 1.25 0.06 3.97 -0.21 -1.25 -0.67 119.66 120.36 2bw2 s GLN 102 Ca 0.18 -0.95 -0.01 0.00 0.02 0.00 0.00 55.36 54.60 2bw2 s GLN 102 Cb -0.01 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.59 2bw2 s GLN 102 CO 0.13 0.34 -0.01 0.96 -2.12 0.00 0.00 175.29 174.59 2bw2 s ILE 103 N -0.88 0.20 -0.40 1.08 -4.36 -0.39 -4.44 121.20 112.01 2bw2 s ILE 103 Ca 0.06 -1.79 -0.29 0.00 -0.26 0.00 0.00 60.65 58.37 2bw2 s ILE 103 Cb -0.09 -1.57 0.02 0.00 1.25 0.00 0.00 42.46 42.08 2bw2 s ILE 103 CO 0.02 -0.93 1.14 -1.81 0.24 0.00 0.00 174.94 173.61 2bw2 s ASP 104 N -2.93 6.73 0.29 4.36 1.11 0.10 -2.61 116.67 123.73 2bw2 s ASP 104 Ca 0.09 0.77 0.09 0.00 0.18 0.00 0.00 52.55 53.68 2bw2 s ASP 104 Cb 0.08 -2.55 0.42 0.00 1.07 0.00 0.00 42.92 41.94 2bw2 s ASP 104 CO -0.09 -1.11 1.65 -0.07 1.18 0.00 0.00 175.17 176.73 2bw2 h LEU 105 N 10.82 0.07 -1.14 1.23 3.38 -1.86 -1.81 115.31 126.00 2bw2 h LEU 105 Ca -0.23 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2bw2 h LEU 105 Cb 1.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2bw2 h LEU 105 CO 1.08 0.61 0.00 1.05 0.09 0.00 0.00 178.44 181.27 2bw2 h GLU 106 N 0.05 0.00 0.00 1.13 4.11 -1.88 -1.49 114.58 116.50 2bw2 h GLU 106 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 2bw2 h GLU 106 Cb 0.99 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2bw2 h GLU 106 CO 0.08 0.00 -1.67 2.89 0.07 0.00 0.00 179.01 180.38 2bw2 n ARG 107 N -2.45 0.64 -1.69 1.06 1.85 -0.72 -4.92 116.66 110.42 2bw2 n ARG 107 Ca 0.01 0.19 -0.38 0.00 -1.00 0.00 0.00 57.85 56.68 2bw2 n ARG 107 Cb 0.19 -1.75 0.06 0.00 -1.05 0.00 0.00 32.46 29.91 2bw2 n ARG 107 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2bw2 n LEU 108 N -2.89 5.16 -4.76 2.89 7.99 -0.56 -4.97 117.00 119.86 2bw2 n LEU 108 Ca -0.15 0.85 -0.41 0.00 -0.01 0.00 0.00 56.01 56.30 2bw2 n LEU 108 Cb 0.94 -1.50 -0.03 0.00 -0.11 0.00 0.00 43.42 42.71 2bw2 n LEU 108 CO 0.44 -1.20 0.95 -1.83 -1.51 0.00 0.00 177.39 174.24 2bw2 s GLU 109 N -3.06 4.41 0.11 3.23 -1.05 -1.26 -4.90 118.70 116.18 2bw2 s GLU 109 Ca 0.78 2.11 -0.22 0.00 -0.15 0.00 0.00 54.97 57.49 2bw2 s GLU 109 Cb -0.40 -3.12 -0.05 0.00 -0.44 0.00 0.00 34.13 30.12 2bw2 s GLU 109 CO 0.44 -0.14 1.36 0.45 0.95 0.00 0.00 175.26 178.33 2bw2 n SER 110 N 1.34 -0.74 0.09 0.83 2.88 -1.26 -1.54 113.62 115.22 2bw2 n SER 110 Ca 0.01 1.53 0.11 0.00 -1.33 0.00 0.00 58.87 59.19 2bw2 n SER 110 Cb 0.42 -0.31 0.44 0.00 -0.75 0.00 0.00 64.21 64.02 2bw2 n SER 110 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2bw2 n HIS 111 N -4.57 0.58 0.06 0.66 8.25 -1.26 -0.99 115.22 117.95 2bw2 n HIS 111 Ca 0.01 0.22 -0.11 0.00 -0.26 0.00 0.00 57.72 57.58 2bw2 n HIS 111 Cb 0.18 -0.86 -0.08 0.00 1.12 0.00 0.00 29.99 30.35 2bw2 n HIS 111 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2bw2 h MET 112 N 0.00 -0.21 -0.41 -0.41 2.86 -1.66 -1.92 114.93 113.17 2bw2 h MET 112 Ca 0.00 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2bw2 h MET 112 Cb 0.36 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2bw2 h MET 112 CO 0.00 0.21 -0.12 -0.56 1.06 0.00 0.00 176.91 177.50 2bw2 h GLN 113 N -0.81 0.73 -0.28 1.72 3.07 -1.32 -1.79 115.11 116.43 2bw2 h GLN 113 Ca -0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 58.65 58.45 2bw2 h GLN 113 Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.01 2bw2 h GLN 113 CO 0.04 0.82 0.03 0.87 0.09 0.00 0.00 178.83 180.68 2bw2 h LYS 114 N 0.66 0.41 -0.19 0.06 1.79 -1.15 0.23 116.57 118.38 2bw2 h LYS 114 Ca 0.11 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 2bw2 h LYS 114 Cb 0.58 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2bw2 h LYS 114 CO 0.04 0.42 -0.45 -0.97 -1.08 0.00 0.00 179.45 177.41 2bw2 h ASN 115 N 0.40 0.50 0.99 0.86 -1.24 -0.52 0.09 115.58 116.67 2bw2 h ASN 115 Ca 0.09 -0.23 -0.10 0.00 0.71 0.00 0.00 56.30 56.77 2bw2 h ASN 115 Cb 0.22 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 2bw2 h ASN 115 CO 0.00 0.88 -0.46 -0.07 -1.29 0.00 0.00 177.43 176.49 2bw2 h LEU 116 N 0.38 0.00 -0.05 0.34 3.38 -0.72 0.10 115.31 118.74 2bw2 h LEU 116 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2bw2 h LEU 116 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2bw2 h LEU 116 CO 0.08 0.46 -0.33 -0.07 0.09 0.00 0.00 178.44 178.67 2bw2 h LEU 117 N 0.00 0.38 -0.38 1.67 3.38 -0.24 -0.92 115.31 119.19 2bw2 h LEU 117 Ca -0.00 -0.67 -0.13 0.00 0.09 0.00 0.00 57.88 57.17 2bw2 h LEU 117 Cb 1.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2bw2 h LEU 117 CO 0.06 0.99 -0.61 0.07 0.09 0.00 0.00 178.44 179.05 2bw2 h LYS 118 N -0.20 0.00 0.00 1.13 2.10 -0.96 -3.40 116.57 115.24 2bw2 h LYS 118 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2bw2 h LYS 118 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2bw2 h LYS 118 CO 0.07 0.61 0.00 0.41 -2.00 0.00 0.00 179.45 178.54 2bw2 n GLY 119 N 0.82 2.47 3.73 0.07 0.00 0.35 -4.26 105.19 108.37 2bw2 n GLY 119 Ca 0.00 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2bw2 n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bw2 s ILE 120 N 0.00 3.82 -0.60 -0.61 -1.09 -1.06 -4.86 121.20 116.80 2bw2 s ILE 120 Ca 0.00 1.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.87 2bw2 s ILE 120 Cb 0.00 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 2bw2 s ILE 120 CO 0.00 0.19 0.27 -0.81 -1.23 0.00 0.00 174.94 173.36 2bw2 n PRO 121 N 2.99 0.39 -1.19 2.79 -0.04 -1.26 -3.44 135.00 135.24 2bw2 n PRO 121 Ca 0.06 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.67 2bw2 n PRO 121 Cb 0.46 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 2bw2 n PRO 121 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2bw2 n PHE 122 N 0.51 -3.07 -4.13 0.54 7.35 -1.16 -4.88 117.46 112.61 2bw2 n PHE 122 Ca 0.00 1.60 -0.15 0.00 -0.76 0.00 0.00 57.45 58.14 2bw2 n PHE 122 Cb 0.13 -2.79 -0.06 0.00 0.35 0.00 0.00 39.48 37.12 2bw2 n PHE 122 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2bw2 s ARG 123 N -2.90 1.76 0.84 -4.13 0.52 -1.26 -5.08 118.95 108.70 2bw2 s ARG 123 Ca 0.00 -1.74 -0.09 0.00 -0.52 0.00 0.00 55.73 53.38 2bw2 s ARG 123 Cb 0.00 0.40 0.16 0.00 0.52 0.00 0.00 34.95 36.03 2bw2 s ARG 123 CO 0.00 -0.70 1.17 0.99 0.02 0.00 0.00 175.30 176.78 2bw2 s THR 124 N -3.37 2.08 0.16 0.02 2.01 -1.26 -4.73 115.64 110.54 2bw2 s THR 124 Ca 0.33 -0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 2bw2 s THR 124 Cb 0.01 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.71 2bw2 s THR 124 CO 0.19 0.00 1.79 0.07 -0.69 0.00 0.00 174.62 175.99 2bw2 h LYS 125 N -1.11 0.44 0.00 4.92 2.10 -1.98 0.42 116.57 121.36 2bw2 h LYS 125 Ca -0.42 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.10 2bw2 h LYS 125 Cb 1.26 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2bw2 h LYS 125 CO 0.42 0.29 -0.50 0.00 -2.00 0.00 0.00 179.45 177.66 2bw2 h ALA 126 N 1.18 0.88 0.04 0.07 0.00 -1.97 -1.17 119.26 118.29 2bw2 h ALA 126 Ca 0.16 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 2bw2 h ALA 126 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2bw2 h ALA 126 CO -0.08 0.62 -1.03 0.93 0.00 0.00 0.00 179.25 179.69 2bw2 h GLU 127 N 0.00 0.17 0.11 0.00 5.08 -1.75 -1.63 114.58 116.55 2bw2 h GLU 127 Ca -0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2bw2 h GLU 127 Cb 1.10 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2bw2 h GLU 127 CO 0.06 1.05 -0.05 0.35 -1.00 0.00 0.00 179.01 179.43 2bw2 h PHE 128 N 0.07 -0.13 0.00 4.33 3.04 0.33 -1.90 116.94 122.68 2bw2 h PHE 128 Ca -0.06 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.88 2bw2 h PHE 128 Cb 1.73 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 40.28 2bw2 h PHE 128 CO 0.03 0.23 -0.02 1.05 -2.02 0.00 0.00 178.31 177.59 2bw2 h GLU 129 N -0.52 0.00 0.26 1.11 4.11 -1.25 -0.12 114.58 118.17 2bw2 h GLU 129 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2bw2 h GLU 129 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2bw2 h GLU 129 CO 0.02 0.02 -0.13 0.22 0.07 0.00 0.00 179.01 179.22 2bw2 h ASP 130 N 0.00 -0.30 -0.12 3.06 3.58 -1.07 -0.23 116.42 121.34 2bw2 h ASP 130 Ca -0.00 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.19 2bw2 h ASP 130 Cb 0.31 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 2bw2 h ASP 130 CO 0.00 0.06 -0.10 1.62 -2.88 0.00 0.00 179.24 177.94 2bw2 h VAL 131 N -0.69 1.21 -0.61 2.25 3.04 -0.85 -1.74 116.25 118.87 2bw2 h VAL 131 Ca -0.04 -0.92 -0.09 0.00 -1.01 0.00 0.00 66.70 64.64 2bw2 h VAL 131 Cb 0.48 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 2bw2 h VAL 131 CO 0.06 0.30 0.03 0.40 -1.01 0.00 0.00 177.57 177.35 2bw2 h ILE 132 N 0.42 1.26 -0.02 3.17 5.03 -1.02 -0.40 117.51 125.95 2bw2 h ILE 132 Ca 0.08 -1.12 -0.08 0.00 -0.12 0.00 0.00 64.86 63.62 2bw2 h ILE 132 Cb 0.44 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 35.00 2bw2 h ILE 132 CO 0.02 0.41 -0.38 1.05 -0.68 0.00 0.00 178.15 178.57 2bw2 h GLU 133 N 0.96 0.05 -0.31 2.37 4.11 -0.58 -1.10 114.58 120.08 2bw2 h GLU 133 Ca 0.18 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.43 2bw2 h GLU 133 Cb 0.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2bw2 h GLU 133 CO 0.03 0.42 -0.44 1.25 0.07 0.00 0.00 179.01 180.34 2bw2 h HIS 134 N 0.04 0.95 -0.15 2.06 2.76 -0.87 -0.46 115.15 119.49 2bw2 h HIS 134 Ca 0.00 -0.30 -0.00 0.00 -2.20 0.00 0.00 60.37 57.87 2bw2 h HIS 134 Cb 0.69 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2bw2 h HIS 134 CO 0.00 1.08 0.08 0.52 -1.30 0.00 0.00 177.93 178.31 2bw2 h MET 135 N 0.63 0.22 0.00 5.26 2.86 -0.57 -2.72 114.93 120.62 2bw2 h MET 135 Ca 0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2bw2 h MET 135 Cb 1.01 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2bw2 h MET 135 CO 0.10 0.25 0.00 1.57 1.06 0.00 0.00 176.91 179.89 2bw2 h LYS 136 N 0.13 0.00 0.00 1.72 2.10 -1.10 0.19 116.57 119.62 2bw2 h LYS 136 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2bw2 h LYS 136 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 2bw2 h LYS 136 CO -0.01 0.00 0.00 1.15 -2.00 0.00 0.00 179.45 178.59 2bw2 h THR 137 N 0.00 0.00 0.00 0.07 2.02 -0.74 -3.29 112.91 110.97 2bw2 h THR 137 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2bw2 h THR 137 Cb 0.49 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2bw2 h THR 137 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 2bw2 n TYR 138 N -3.03 0.00 -1.83 3.16 4.01 0.01 -4.92 117.16 114.57 2bw2 n TYR 138 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2bw2 n TYR 138 Cb 0.22 -0.12 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 2bw2 n TYR 138 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2bw2 n SER 139 N -1.72 -1.19 0.00 7.72 7.64 -0.94 -4.98 113.62 120.14 2bw2 n SER 139 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2bw2 n SER 139 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64