#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 4.58 0.36 0.00 2.12 -1.26 -5.02 118.70 119.47 2bw2 s GLU 2 Ca 0.00 1.32 0.04 0.00 0.36 0.00 0.00 54.97 56.69 2bw2 s GLU 2 Cb 0.00 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2bw2 s GLU 2 CO 0.00 0.08 0.15 0.14 -0.54 0.00 0.00 175.26 175.10 2bw2 s VAL 3 N 0.56 0.46 0.18 3.70 -7.23 -1.26 -5.13 120.40 111.68 2bw2 s VAL 3 Ca 0.47 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 2bw2 s VAL 3 Cb -0.21 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.19 2bw2 s VAL 3 CO 0.27 0.00 0.89 -1.61 -0.31 0.00 0.00 175.10 174.34 2bw2 s GLU 4 N -3.73 4.73 0.12 4.82 2.02 -1.26 -5.06 118.70 120.34 2bw2 s GLU 4 Ca 0.31 1.38 0.01 0.00 0.02 0.00 0.00 54.97 56.69 2bw2 s GLU 4 Cb 0.04 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.99 2bw2 s GLU 4 CO 0.17 0.45 0.16 0.72 0.02 0.00 0.00 175.26 176.78 2bw2 n HIS 5 N 1.90 -2.95 0.09 1.61 8.25 -1.26 -5.01 115.22 117.84 2bw2 n HIS 5 Ca -0.02 -0.40 -0.12 0.00 -0.26 0.00 0.00 57.72 56.92 2bw2 n HIS 5 Cb 0.48 -0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.40 2bw2 n HIS 5 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2bw2 h TYR 6 N -0.07 0.38 -3.46 4.41 -1.99 -2.03 -3.43 116.97 110.78 2bw2 h TYR 6 Ca -0.06 -0.24 -0.54 0.00 2.00 0.00 0.00 58.73 59.89 2bw2 h TYR 6 Cb 0.24 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 2bw2 h TYR 6 CO 0.00 1.12 0.19 -1.21 -0.00 0.00 0.00 178.16 178.26 2bw2 s GLU 7 N -2.94 4.53 1.14 4.88 0.41 -1.26 -5.06 118.70 120.40 2bw2 s GLU 7 Ca -0.03 1.13 -0.18 0.00 -0.41 0.00 0.00 54.97 55.48 2bw2 s GLU 7 Cb 0.09 -3.35 0.17 0.00 -1.78 0.00 0.00 34.13 29.26 2bw2 s GLU 7 CO 0.85 0.32 0.27 -0.35 -0.49 0.00 0.00 175.26 175.86 2bw2 n PRO 8 N 2.60 -2.28 -3.53 0.39 -0.04 -1.26 -4.94 135.00 125.95 2bw2 n PRO 8 Ca -0.02 -0.66 -0.38 0.00 -0.04 0.00 0.00 63.50 62.39 2bw2 n PRO 8 Cb 0.50 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 2bw2 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bw2 s LEU 9 N -2.16 4.03 -0.69 1.53 1.98 0.16 -4.76 118.68 118.77 2bw2 s LEU 9 Ca 0.53 0.10 -0.27 0.00 -2.89 0.00 0.00 54.13 51.60 2bw2 s LEU 9 Cb -0.11 -2.22 0.03 0.00 0.66 0.00 0.00 46.19 44.55 2bw2 s LEU 9 CO 0.56 -0.09 1.22 -1.10 -1.89 0.00 0.00 176.35 175.05 2bw2 s GLN 10 N 1.83 3.27 -0.25 1.98 -0.21 -1.26 -0.89 119.66 124.14 2bw2 s GLN 10 Ca 0.10 -0.16 -0.11 0.00 0.02 0.00 0.00 55.36 55.21 2bw2 s GLN 10 Cb -0.16 -4.14 -0.05 0.00 1.00 0.00 0.00 33.01 29.66 2bw2 s GLN 10 CO 0.10 -1.98 0.17 0.08 -2.12 0.00 0.00 175.29 171.54 2bw2 s VAL 11 N 5.35 5.35 -0.60 1.09 1.01 0.66 -4.58 120.40 128.68 2bw2 s VAL 11 Ca 0.36 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 2bw2 s VAL 11 Cb -0.09 -3.51 0.14 0.00 0.00 0.00 0.00 36.38 32.92 2bw2 s VAL 11 CO 0.17 0.32 0.60 -1.00 0.00 0.00 0.00 175.10 175.19 2bw2 s HIS 12 N 1.22 3.27 -0.27 5.22 3.76 0.63 -0.31 115.29 128.81 2bw2 s HIS 12 Ca 0.08 -1.33 -0.10 0.00 -0.15 0.00 0.00 55.06 53.56 2bw2 s HIS 12 Cb -0.14 -3.86 -0.04 0.00 1.11 0.00 0.00 32.58 29.65 2bw2 s HIS 12 CO 0.06 -1.09 0.15 0.54 -0.85 0.00 0.00 174.74 173.56 2bw2 s VAL 13 N 1.64 4.95 -0.34 -0.90 0.11 0.90 -0.59 120.40 126.18 2bw2 s VAL 13 Ca 0.08 0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.89 2bw2 s VAL 13 Cb -0.25 -3.37 0.01 0.00 -1.53 0.00 0.00 36.38 31.24 2bw2 s VAL 13 CO 0.02 0.26 0.87 -1.58 -3.33 0.00 0.00 175.10 171.34 2bw2 s GLN 14 N 1.70 3.89 -0.42 1.54 0.74 0.45 -0.95 119.66 126.62 2bw2 s GLN 14 Ca 0.07 0.59 -0.13 0.00 0.05 0.00 0.00 55.36 55.94 2bw2 s GLN 14 Cb -0.16 -3.77 0.04 0.00 1.10 0.00 0.00 33.01 30.22 2bw2 s GLN 14 CO 0.08 -0.84 0.29 -0.51 -0.55 0.00 0.00 175.29 173.77 2bw2 s LEU 15 N 3.26 5.14 0.01 3.68 1.43 0.52 -0.92 118.68 131.80 2bw2 s LEU 15 Ca 0.36 -1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 2bw2 s LEU 15 Cb -0.13 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 2bw2 s LEU 15 CO 0.16 -0.50 0.47 -1.61 0.23 0.00 0.00 176.35 175.11 2bw2 s GLU 16 N 1.60 4.08 -0.39 1.70 2.02 0.53 -0.42 118.70 127.82 2bw2 s GLU 16 Ca 0.04 0.53 -0.08 0.00 0.02 0.00 0.00 54.97 55.47 2bw2 s GLU 16 Cb -0.21 -3.26 0.06 0.00 0.10 0.00 0.00 34.13 30.82 2bw2 s GLU 16 CO 0.07 0.59 0.20 0.15 0.02 0.00 0.00 175.26 176.29 2bw2 s LYS 17 N -0.82 2.61 -0.57 1.61 -0.14 0.12 0.27 119.74 122.82 2bw2 s LYS 17 Ca 0.26 -1.34 -0.21 0.00 -1.36 0.00 0.00 55.97 53.32 2bw2 s LYS 17 Cb -0.17 -3.67 0.07 0.00 -1.68 0.00 0.00 37.83 32.37 2bw2 s LYS 17 CO 0.15 -0.84 0.78 0.08 -0.76 0.00 0.00 175.35 174.76 2bw2 s VAL 18 N 1.43 4.64 0.11 3.17 1.01 -0.59 -1.72 120.40 128.45 2bw2 s VAL 18 Ca 0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 2bw2 s VAL 18 Cb -0.21 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 2bw2 s VAL 18 CO 0.03 -1.09 0.49 -0.31 0.00 0.00 0.00 175.10 174.22 2bw2 s TYR 19 N 3.22 3.60 0.22 5.22 2.02 -1.26 -3.09 117.35 127.29 2bw2 s TYR 19 Ca 0.19 0.96 -0.08 0.00 -0.37 0.00 0.00 57.07 57.77 2bw2 s TYR 19 Cb -0.19 -2.29 0.27 0.00 -0.40 0.00 0.00 41.96 39.35 2bw2 s TYR 19 CO 0.11 0.47 1.84 -0.07 -1.57 0.00 0.00 175.55 176.33 2bw2 h LEU 20 N 3.67 0.73 -2.14 -1.29 3.38 -1.84 -2.37 115.31 115.45 2bw2 h LEU 20 Ca -0.49 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2bw2 h LEU 20 Cb 1.19 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2bw2 h LEU 20 CO 0.66 0.48 -0.01 -2.24 0.09 0.00 0.00 178.44 177.41 2bw2 h ASP 21 N 0.86 0.00 0.00 -0.43 2.03 -1.93 -3.46 116.42 113.49 2bw2 h ASP 21 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 2bw2 h ASP 21 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 2bw2 h ASP 21 CO -0.16 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.67 2bw2 n GLY 22 N -0.48 2.46 3.45 7.15 0.00 -0.89 -4.58 105.19 112.31 2bw2 n GLY 22 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.75 6.23 0.42 1.61 2.15 -1.26 -4.54 116.67 119.53 2bw2 s ASP 23 Ca 0.00 -0.90 -0.00 0.00 0.43 0.00 0.00 52.55 52.08 2bw2 s ASP 23 Cb 0.00 -2.36 -0.01 0.00 -0.30 0.00 0.00 42.92 40.24 2bw2 s ASP 23 CO 0.00 -1.17 0.65 0.68 -0.17 0.00 0.00 175.17 175.15 2bw2 s VAL 24 N 3.36 4.38 -0.10 1.11 -7.23 -1.26 -4.22 120.40 116.44 2bw2 s VAL 24 Ca 0.20 -0.43 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 2bw2 s VAL 24 Cb -0.18 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.13 2bw2 s VAL 24 CO 0.12 -0.44 -0.17 -0.55 -0.31 0.00 0.00 175.10 173.75 2bw2 s SER 25 N -4.16 3.72 -0.24 4.85 0.15 -0.70 -4.91 113.70 112.42 2bw2 s SER 25 Ca 0.46 -0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.68 2bw2 s SER 25 Cb -0.10 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.88 2bw2 s SER 25 CO 0.38 0.21 0.05 -0.63 1.20 0.00 0.00 173.24 174.45 2bw2 s ILE 26 N 0.06 4.20 0.09 6.45 -1.09 -1.26 0.11 121.20 129.74 2bw2 s ILE 26 Ca -0.07 -0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.21 2bw2 s ILE 26 Cb -0.15 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 2bw2 s ILE 26 CO 0.05 0.37 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.30 2bw2 s GLU 27 N 1.45 2.10 -0.26 2.79 2.56 0.44 -4.97 118.70 122.81 2bw2 s GLU 27 Ca 0.05 -1.01 0.02 0.00 0.00 0.00 0.00 54.97 54.03 2bw2 s GLU 27 Cb -0.15 -2.27 0.07 0.00 2.00 0.00 0.00 34.13 33.78 2bw2 s GLU 27 CO 0.03 0.52 -0.06 -1.01 -0.56 0.00 0.00 175.26 174.17 2bw2 s HIS 28 N -1.13 2.98 -0.23 5.30 3.76 -1.26 -0.36 115.29 124.35 2bw2 s HIS 28 Ca 0.19 -2.21 -0.06 0.00 -0.15 0.00 0.00 55.06 52.83 2bw2 s HIS 28 Cb -0.11 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 2bw2 s HIS 28 CO 0.11 -0.85 0.03 0.15 -0.85 0.00 0.00 174.74 173.33 2bw2 s LYS 29 N 1.19 3.58 -0.38 1.40 -0.14 -0.13 -4.97 119.74 120.30 2bw2 s LYS 29 Ca -0.04 -0.52 -0.09 0.00 -1.36 0.00 0.00 55.97 53.96 2bw2 s LYS 29 Cb -0.19 -3.21 0.05 0.00 -1.68 0.00 0.00 37.83 32.80 2bw2 s LYS 29 CO -0.07 -0.15 0.19 -3.38 -0.76 0.00 0.00 175.35 171.18 2bw2 s HIS 30 N 1.47 3.28 -0.02 3.18 -3.43 -1.25 -0.07 115.29 118.44 2bw2 s HIS 30 Ca 0.05 -1.29 0.03 0.00 -0.80 0.00 0.00 55.06 53.05 2bw2 s HIS 30 Cb -0.15 -2.54 -0.00 0.00 -1.43 0.00 0.00 32.58 28.47 2bw2 s HIS 30 CO 0.02 -0.74 -0.10 -1.83 -2.00 0.00 0.00 174.74 170.09 2bw2 s GLU 31 N 1.46 1.03 0.03 -0.38 -1.05 0.58 -4.90 118.70 115.47 2bw2 s GLU 31 Ca 0.01 -0.36 -0.27 0.00 -0.15 0.00 0.00 54.97 54.20 2bw2 s GLU 31 Cb -0.20 -0.96 -0.05 0.00 -0.44 0.00 0.00 34.13 32.48 2bw2 s GLU 31 CO 0.04 0.15 0.86 0.15 0.95 0.00 0.00 175.26 177.41 2bw2 s LYS 32 N 0.08 4.55 -0.01 -4.83 1.02 -1.24 -0.24 119.74 119.07 2bw2 s LYS 32 Ca -0.02 1.22 -0.00 0.00 0.02 0.00 0.00 55.97 57.19 2bw2 s LYS 32 Cb -0.08 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2bw2 s LYS 32 CO 0.00 0.13 0.02 0.54 -0.92 0.00 0.00 175.35 175.13 2bw2 s VAL 33 N 0.41 -0.02 0.00 3.17 0.11 -0.07 -4.83 120.40 119.18 2bw2 s VAL 33 Ca 0.44 0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.48 2bw2 s VAL 33 Cb -0.21 -0.05 -0.30 0.00 -1.53 0.00 0.00 36.38 34.30 2bw2 s VAL 33 CO 0.25 0.03 0.86 -0.26 -3.33 0.00 0.00 175.10 172.65 2bw2 h PHE 34 N 6.48 0.61 -3.20 1.54 -1.00 -1.93 0.46 116.94 119.91 2bw2 h PHE 34 Ca -0.31 -0.45 -0.63 0.00 2.81 0.00 0.00 57.97 59.40 2bw2 h PHE 34 Cb 1.18 -0.02 -0.36 0.00 3.61 0.00 0.00 35.95 40.36 2bw2 h PHE 34 CO 0.44 1.48 -0.84 0.45 -1.61 0.00 0.00 178.31 178.23 2bw2 s SER 35 N -7.18 3.04 0.54 2.17 0.15 -1.26 -4.82 113.70 106.35 2bw2 s SER 35 Ca -0.10 -0.66 0.27 0.00 0.70 0.00 0.00 55.95 56.16 2bw2 s SER 35 Cb 0.06 -1.30 1.44 0.00 -1.71 0.00 0.00 66.02 64.51 2bw2 s SER 35 CO 0.87 -0.06 1.98 0.24 1.20 0.00 0.00 173.24 177.46 2bw2 h MET 36 N 7.99 0.00 -0.79 5.44 2.86 -2.00 0.25 114.93 128.68 2bw2 h MET 36 Ca -0.38 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.22 2bw2 h MET 36 Cb 1.12 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 2bw2 h MET 36 CO 0.55 0.00 0.33 0.22 1.06 0.00 0.00 176.91 179.07 2bw2 h ASP 37 N 0.00 1.07 -0.74 1.22 3.58 -1.98 0.16 116.42 119.72 2bw2 h ASP 37 Ca 0.26 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2bw2 h ASP 37 Cb 1.09 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.83 2bw2 h ASP 37 CO -0.00 0.93 0.41 -0.78 -2.88 0.00 0.00 179.24 176.91 2bw2 h ASP 38 N 1.14 0.93 -0.24 2.28 1.82 -1.37 0.15 116.42 121.14 2bw2 h ASP 38 Ca 0.27 -0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.74 2bw2 h ASP 38 Cb 0.18 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 2bw2 h ASP 38 CO -0.03 0.76 -0.11 0.15 -1.61 0.00 0.00 179.24 178.41 2bw2 h PHE 39 N 1.03 0.57 -0.51 0.28 3.04 -1.23 -0.14 116.94 119.99 2bw2 h PHE 39 Ca 0.26 -0.14 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 2bw2 h PHE 39 Cb 0.04 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 2bw2 h PHE 39 CO -0.00 0.76 0.11 -1.49 -2.02 0.00 0.00 178.31 175.68 2bw2 h TRP 40 N 0.22 0.81 -0.16 0.41 -0.00 -0.15 -0.52 115.95 116.55 2bw2 h TRP 40 Ca 0.05 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.89 58.72 2bw2 h TRP 40 Cb 0.61 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 29.53 2bw2 h TRP 40 CO 0.06 0.69 -0.53 0.00 -0.00 0.00 0.00 178.44 178.66 2bw2 h ALA 41 N 1.37 0.78 -0.51 1.49 0.00 -0.60 0.22 119.26 122.00 2bw2 h ALA 41 Ca 0.17 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2bw2 h ALA 41 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2bw2 h ALA 41 CO -0.00 0.68 -0.10 0.00 0.00 0.00 0.00 179.25 179.83 2bw2 h ALA 42 N 1.06 0.84 -0.32 0.00 0.00 -0.27 -3.14 119.26 117.45 2bw2 h ALA 42 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2bw2 h ALA 42 Cb 1.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2bw2 h ALA 42 CO 0.10 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.66 2bw2 n TYR 43 N -4.15 1.00 -0.14 0.00 4.02 -0.27 -4.64 117.16 112.97 2bw2 n TYR 43 Ca 0.02 -0.80 0.24 0.00 -0.01 0.00 0.00 57.90 57.34 2bw2 n TYR 43 Cb 0.39 -0.29 0.66 0.00 -0.02 0.00 0.00 39.34 40.08 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bw2 h ALA 44 N 2.12 2.58 0.00 -0.72 0.00 -0.50 0.08 119.26 122.81 2bw2 h ALA 44 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bw2 h ALA 44 Cb 1.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2bw2 h ALA 44 CO 0.22 -0.82 -0.10 0.41 0.00 0.00 0.00 179.25 178.96 2bw2 n GLY 45 N -1.64 -1.64 3.86 0.00 0.00 -1.26 -4.80 105.19 99.71 2bw2 n GLY 45 Ca 0.16 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2bw2 n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bw2 s TRP 46 N -3.10 3.44 -0.29 1.61 0.52 0.01 -4.93 118.94 116.21 2bw2 s TRP 46 Ca 0.10 1.16 -0.25 0.00 0.02 0.00 0.00 56.10 57.14 2bw2 s TRP 46 Cb 0.13 -2.53 0.00 0.00 -1.15 0.00 0.00 33.47 29.93 2bw2 s TRP 46 CO 0.61 -0.11 0.85 0.99 0.02 0.00 0.00 176.95 179.30 2bw2 s THR 47 N -2.34 4.76 -0.40 2.01 2.01 0.14 -4.84 115.64 116.99 2bw2 s THR 47 Ca 0.53 1.37 -0.29 0.00 0.31 0.00 0.00 61.69 63.62 2bw2 s THR 47 Cb -0.10 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2bw2 s THR 47 CO 0.28 -0.24 1.34 -0.22 -0.69 0.00 0.00 174.62 175.09 2bw2 s LEU 48 N 3.04 3.66 -0.14 4.42 1.98 -1.26 -0.59 118.68 129.78 2bw2 s LEU 48 Ca 0.35 0.86 -0.20 0.00 -2.89 0.00 0.00 54.13 52.24 2bw2 s LEU 48 Cb -0.14 -3.54 -0.25 0.00 0.66 0.00 0.00 46.19 42.92 2bw2 s LEU 48 CO 0.12 -1.33 0.52 0.58 -1.89 0.00 0.00 176.35 174.35 2bw2 h VAL 49 N 6.31 1.18 -2.84 1.68 2.07 -1.08 -3.49 116.25 120.08 2bw2 h VAL 49 Ca -0.26 -2.33 0.04 0.00 0.82 0.00 0.00 66.70 64.97 2bw2 h VAL 49 Cb 1.10 2.74 -0.10 0.00 -1.52 0.00 0.00 31.29 33.50 2bw2 h VAL 49 CO 1.08 0.57 0.28 -1.83 0.02 0.00 0.00 177.57 177.69 2bw2 s GLU 50 N -2.39 1.36 0.00 1.57 -1.05 -1.08 -5.03 118.70 112.08 2bw2 s GLU 50 Ca -0.22 -0.61 -0.09 0.00 -0.15 0.00 0.00 54.97 53.90 2bw2 s GLU 50 Cb 0.03 0.55 0.01 0.00 -0.44 0.00 0.00 34.13 34.28 2bw2 s GLU 50 CO 0.70 -0.61 0.18 1.14 0.95 0.00 0.00 175.26 177.62 2bw2 s GLN 51 N -3.67 0.53 0.28 -4.83 -2.07 -1.26 -0.19 119.66 108.44 2bw2 s GLN 51 Ca 0.05 -0.36 -0.05 0.00 -1.82 0.00 0.00 55.36 53.18 2bw2 s GLN 51 Cb -0.02 0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 2bw2 s GLN 51 CO -0.05 -0.13 0.39 -1.59 -1.32 0.00 0.00 175.29 172.58 2bw2 s LYS 52 N -1.41 1.61 -0.72 9.60 -2.85 0.31 -5.00 119.74 121.28 2bw2 s LYS 52 Ca -0.14 -1.56 -0.26 0.00 -1.00 0.00 0.00 55.97 53.00 2bw2 s LYS 52 Cb -0.07 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 36.10 2bw2 s LYS 52 CO 0.02 -0.64 1.74 0.21 0.10 0.00 0.00 175.35 176.78 2bw2 s LYS 53 N -3.66 2.79 0.00 1.78 2.47 -1.26 -2.29 119.74 119.57 2bw2 s LYS 53 Ca 0.30 0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.85 2bw2 s LYS 53 Cb 0.01 -4.56 0.00 0.00 -1.46 0.00 0.00 37.83 31.83 2bw2 s LYS 53 CO 0.15 -2.72 0.00 0.41 0.16 0.00 0.00 175.35 173.35 2bw2 n GLY 54 N 5.96 1.87 2.81 5.54 0.00 -1.26 -5.06 105.19 115.06 2bw2 n GLY 54 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.13 0.01 0.01 1.61 5.04 -0.97 -0.27 117.35 120.65 2bw2 s TYR 55 Ca 0.00 0.10 0.05 0.00 -2.44 0.00 0.00 57.07 54.78 2bw2 s TYR 55 Cb 0.00 -0.15 -0.02 0.00 0.35 0.00 0.00 41.96 42.14 2bw2 s TYR 55 CO 0.00 -0.06 -0.16 0.08 -1.34 0.00 0.00 175.55 174.07 2bw2 s VAL 56 N 0.70 1.24 -0.24 3.14 1.01 0.24 -0.53 120.40 125.97 2bw2 s VAL 56 Ca -0.06 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2bw2 s VAL 56 Cb -0.08 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2bw2 s VAL 56 CO -0.02 0.23 -0.10 -0.22 0.00 0.00 0.00 175.10 175.00 2bw2 s LEU 57 N -0.68 3.00 0.09 3.92 2.96 0.73 -0.41 118.68 128.30 2bw2 s LEU 57 Ca 0.05 -0.89 0.09 0.00 -0.22 0.00 0.00 54.13 53.15 2bw2 s LEU 57 Cb -0.07 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2bw2 s LEU 57 CO 0.00 -0.11 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.34 2bw2 s PHE 58 N 1.29 1.96 -0.01 5.38 0.08 -0.10 -0.39 117.98 126.20 2bw2 s PHE 58 Ca -0.00 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.70 2bw2 s PHE 58 Cb -0.16 -1.10 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 2bw2 s PHE 58 CO -0.06 0.20 -0.15 -0.98 -0.10 0.00 0.00 175.22 174.13 2bw2 s ARG 59 N -1.70 1.16 -0.15 0.44 1.70 0.24 -0.35 118.95 120.29 2bw2 s ARG 59 Ca 0.09 -0.55 -0.01 0.00 -0.47 0.00 0.00 55.73 54.79 2bw2 s ARG 59 Cb -0.10 -1.13 0.04 0.00 -0.57 0.00 0.00 34.95 33.19 2bw2 s ARG 59 CO 0.04 0.31 -0.02 0.21 -1.08 0.00 0.00 175.30 174.75 2bw2 s LYS 60 N -0.42 1.11 0.09 3.89 2.47 0.14 0.28 119.74 127.31 2bw2 s LYS 60 Ca 0.05 -0.37 -0.00 0.00 -1.56 0.00 0.00 55.97 54.09 2bw2 s LYS 60 Cb -0.06 -1.82 -0.04 0.00 -1.46 0.00 0.00 37.83 34.45 2bw2 s LYS 60 CO -0.00 -0.45 0.26 1.14 0.16 0.00 0.00 175.35 176.45 2bw2 s GLN 61 N 1.75 3.47 0.41 4.03 0.00 -1.26 -1.55 119.66 126.50 2bw2 s GLN 61 Ca 0.01 -0.41 0.08 0.00 -0.00 0.00 0.00 55.36 55.04 2bw2 s GLN 61 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 33.01 29.83 2bw2 s GLN 61 CO -0.07 0.56 0.23 -1.64 0.00 0.00 0.00 175.29 174.37 2bw2 s MET 62 N -2.69 2.33 0.20 9.60 -1.94 -1.18 -4.86 119.30 120.77 2bw2 s MET 62 Ca 0.36 -1.72 0.21 0.00 -1.71 0.00 0.00 55.69 52.83 2bw2 s MET 62 Cb -0.12 -2.12 0.01 0.00 2.01 0.00 0.00 34.83 34.60 2bw2 s MET 62 CO 0.28 -0.11 1.08 0.22 -0.01 0.00 0.00 175.02 176.47 2bw2 h ASP 63 N 1.32 0.00 -2.96 3.03 3.58 -1.99 -3.43 116.42 115.97 2bw2 h ASP 63 Ca -0.42 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.50 2bw2 h ASP 63 Cb 1.26 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 2bw2 h ASP 63 CO 0.65 0.15 -0.27 -0.62 -2.88 0.00 0.00 179.24 176.27 2bw2 s ASP 64 N -5.60 6.41 0.89 2.28 2.15 -1.26 -4.84 116.67 116.70 2bw2 s ASP 64 Ca 0.00 0.50 -0.13 0.00 0.43 0.00 0.00 52.55 53.35 2bw2 s ASP 64 Cb 0.09 -2.05 0.13 0.00 -0.30 0.00 0.00 42.92 40.78 2bw2 s ASP 64 CO 0.78 -0.09 1.17 0.27 -0.17 0.00 0.00 175.17 177.13 2bw2 s ILE 65 N -1.94 1.98 0.85 4.11 -4.36 -1.26 -4.52 121.20 116.07 2bw2 s ILE 65 Ca 0.40 0.00 -0.13 0.00 -0.26 0.00 0.00 60.65 60.67 2bw2 s ILE 65 Cb -0.11 -2.85 0.09 0.00 1.25 0.00 0.00 42.46 40.83 2bw2 s ILE 65 CO 0.29 0.00 1.02 -1.54 0.24 0.00 0.00 174.94 174.95 2bw2 n SER 66 N -3.64 0.20 0.27 4.36 3.41 -1.26 -4.91 113.62 112.04 2bw2 n SER 66 Ca 0.08 0.50 0.15 0.00 -0.26 0.00 0.00 58.87 59.34 2bw2 n SER 66 Cb 0.60 -1.43 0.68 0.00 -0.26 0.00 0.00 64.21 63.80 2bw2 n SER 66 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2bw2 h PRO 67 N -1.24 0.00 0.10 4.33 0.13 -1.96 -3.02 132.00 130.35 2bw2 h PRO 67 Ca -0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 2bw2 h PRO 67 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2bw2 h PRO 67 CO 0.43 0.09 -1.40 1.25 -0.23 0.00 0.00 178.00 178.13 2bw2 h LEU 68 N 0.00 0.34 -1.85 1.56 7.12 -1.93 -3.14 115.31 117.41 2bw2 h LEU 68 Ca -0.00 -0.43 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 2bw2 h LEU 68 Cb 0.49 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2bw2 h LEU 68 CO 0.01 1.35 -0.11 0.77 -0.13 0.00 0.00 178.44 180.33 2bw2 h SER 69 N 0.06 0.00 -0.37 1.25 4.64 -1.89 -0.12 113.55 117.12 2bw2 h SER 69 Ca -0.19 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 2bw2 h SER 69 Cb 1.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.06 2bw2 h SER 69 CO 0.17 0.11 0.02 0.11 -0.87 0.00 0.00 176.83 176.37 2bw2 h LYS 70 N 0.00 0.64 0.00 4.77 1.79 -1.51 -2.52 116.57 119.74 2bw2 h LYS 70 Ca -0.00 -0.19 -0.15 0.00 -2.18 0.00 0.00 60.65 58.13 2bw2 h LYS 70 Cb 0.38 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2bw2 h LYS 70 CO 0.01 0.73 -0.82 -0.39 -1.08 0.00 0.00 179.45 177.91 2bw2 h VAL 71 N 0.46 1.02 0.00 0.50 -1.51 -1.16 -3.43 116.25 112.13 2bw2 h VAL 71 Ca 0.11 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 2bw2 h VAL 71 Cb 0.43 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 2bw2 h VAL 71 CO 0.02 0.58 0.00 -3.20 -1.23 0.00 0.00 177.57 173.74 2bw2 n ASN 72 N -3.20 0.00 -2.09 4.19 2.85 -0.19 -5.11 115.26 111.71 2bw2 n ASN 72 Ca -0.01 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2bw2 n ASN 72 Cb 0.82 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.83 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bw2 n GLY 73 N 2.13 -5.21 3.51 8.20 0.00 -0.95 -4.82 105.19 108.06 2bw2 n GLY 73 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2bw2 n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bw2 s TYR 74 N -0.48 -0.66 -0.24 1.61 2.02 -1.24 -3.67 117.35 114.69 2bw2 s TYR 74 Ca -0.02 1.55 -0.09 0.00 -0.37 0.00 0.00 57.07 58.15 2bw2 s TYR 74 Cb 0.00 0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.77 2bw2 s TYR 74 CO 0.04 -0.36 0.12 0.42 -1.57 0.00 0.00 175.55 174.20 2bw2 s ILE 75 N 0.10 4.99 -0.52 2.71 1.01 0.79 -2.74 121.20 127.54 2bw2 s ILE 75 Ca -0.02 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 2bw2 s ILE 75 Cb -0.04 -3.32 0.13 0.00 0.01 0.00 0.00 42.46 39.25 2bw2 s ILE 75 CO 0.02 0.35 0.34 -0.83 0.00 0.00 0.00 174.94 174.82 2bw2 s GLY 76 N 1.15 2.22 -0.26 6.18 0.00 0.69 -3.99 107.32 113.30 2bw2 s GLY 76 Ca 0.06 -2.84 -0.07 0.00 0.00 0.00 0.00 44.72 41.87 2bw2 s GLY 76 CO 0.05 1.08 0.08 0.14 0.00 0.00 0.00 173.10 174.44 2bw2 s VAL 77 N 0.69 4.27 0.56 1.40 1.01 -1.05 -2.41 120.40 124.87 2bw2 s VAL 77 Ca 0.11 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2bw2 s VAL 77 Cb -0.22 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2bw2 s VAL 77 CO -0.03 0.26 0.89 -0.44 0.00 0.00 0.00 175.10 175.77 2bw2 s SER 78 N 1.59 5.85 0.45 3.32 0.01 -0.99 -4.05 113.70 119.88 2bw2 s SER 78 Ca 0.06 0.87 0.27 0.00 1.31 0.00 0.00 55.95 58.45 2bw2 s SER 78 Cb -0.16 -1.96 1.32 0.00 0.21 0.00 0.00 66.02 65.44 2bw2 s SER 78 CO 0.04 -0.91 1.72 -0.78 0.41 0.00 0.00 173.24 173.72 2bw2 h ASP 79 N -0.09 0.27 -0.06 2.44 3.58 -1.97 0.63 116.42 121.22 2bw2 h ASP 79 Ca -0.46 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2bw2 h ASP 79 Cb 1.23 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2bw2 h ASP 79 CO 0.61 -0.02 0.00 0.59 -2.88 0.00 0.00 179.24 177.54 2bw2 n ASN 80 N -4.53 0.34 -0.10 2.28 3.02 -1.26 -4.29 115.26 110.72 2bw2 n ASN 80 Ca 0.30 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.92 2bw2 n ASN 80 Cb 1.18 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 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 0.64 0.60 3.60 7.41 0.00 0.22 -3.61 105.19 114.05 2bw2 n GLY 81 Ca 0.04 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.19 4.12 -0.07 1.61 1.01 -1.04 -0.18 120.40 123.67 2bw2 s VAL 82 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2bw2 s VAL 82 Cb 0.00 -4.46 0.07 0.00 0.00 0.00 0.00 36.38 31.99 2bw2 s VAL 82 CO 0.00 -0.89 1.58 -0.38 0.00 0.00 0.00 175.10 175.41 2bw2 n ILE 83 N 6.86 1.76 -3.60 2.22 2.08 0.06 -2.35 119.36 126.39 2bw2 n ILE 83 Ca 0.13 -0.53 -0.30 0.00 0.56 0.00 0.00 62.75 62.61 2bw2 n ILE 83 Cb 0.49 -1.21 -0.04 0.00 -0.75 0.00 0.00 39.64 38.12 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2bw2 s SER 84 N 1.15 6.48 0.19 4.38 0.01 -1.01 -4.18 113.70 120.72 2bw2 s SER 84 Ca 0.07 0.60 -0.11 0.00 1.31 0.00 0.00 55.95 57.83 2bw2 s SER 84 Cb 0.06 -2.10 -0.07 0.00 0.21 0.00 0.00 66.02 64.13 2bw2 s SER 84 CO 0.01 -0.02 0.53 0.42 0.41 0.00 0.00 173.24 174.59 2bw2 s THR 85 N -1.78 4.93 0.08 1.44 -4.23 -1.26 -0.23 115.64 114.59 2bw2 s THR 85 Ca 0.42 0.57 0.05 0.00 -1.18 0.00 0.00 61.69 61.55 2bw2 s THR 85 Cb -0.12 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 2bw2 s THR 85 CO 0.26 0.07 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.92 2bw2 s PHE 86 N -1.66 1.20 -0.50 3.99 0.40 -1.11 -1.21 117.98 119.09 2bw2 s PHE 86 Ca 0.43 -0.51 -0.15 0.00 -0.60 0.00 0.00 56.93 56.09 2bw2 s PHE 86 Cb -0.13 -0.66 0.10 0.00 0.51 0.00 0.00 43.02 42.84 2bw2 s PHE 86 CO 0.20 0.06 0.44 -3.38 0.70 0.00 0.00 175.22 173.24 2bw2 s HIS 87 N -1.65 3.26 0.00 0.36 -3.43 -1.24 -3.71 115.29 108.88 2bw2 s HIS 87 Ca 0.01 -1.19 0.00 0.00 -0.80 0.00 0.00 55.06 53.08 2bw2 s HIS 87 Cb -0.08 -3.49 0.00 0.00 -1.43 0.00 0.00 32.58 27.58 2bw2 s HIS 87 CO 0.02 -0.92 0.00 0.41 -2.00 0.00 0.00 174.74 172.25 2bw2 n GLY 88 N 5.20 2.06 3.67 -1.38 0.00 -1.26 -4.67 105.19 108.81 2bw2 n GLY 88 Ca -0.13 -2.09 -0.53 0.00 0.00 0.00 0.00 46.02 43.27 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 0.17 1.46 -2.19 1.61 5.12 -1.26 -4.82 116.66 116.76 2bw2 n ARG 89 Ca 0.00 0.53 -0.41 0.00 -1.93 0.00 0.00 57.85 56.04 2bw2 n ARG 89 Cb 0.00 -2.25 -0.03 0.00 -1.16 0.00 0.00 32.46 29.02 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 2.67 3.11 0.21 5.56 0.04 -1.26 -4.64 135.00 140.69 2bw2 s PRO 90 Ca 0.92 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2bw2 s PRO 90 Cb -0.93 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 29.36 2bw2 s PRO 90 CO 0.56 -2.15 0.15 -1.83 0.04 0.00 0.00 177.00 173.76 2bw2 s GLU 91 N 6.00 1.24 0.02 4.56 -1.05 -1.26 -4.84 118.70 123.37 2bw2 s GLU 91 Ca 0.64 -1.63 0.15 0.00 -0.15 0.00 0.00 54.97 53.97 2bw2 s GLU 91 Cb -0.14 0.28 0.64 0.00 -0.44 0.00 0.00 34.13 34.47 2bw2 s GLU 91 CO 0.26 -0.41 1.48 -0.35 0.95 0.00 0.00 175.26 177.19 2bw2 n PRO 92 N -0.29 0.01 0.00 -4.83 -0.04 -1.26 -1.08 135.00 127.51 2bw2 n PRO 92 Ca 0.02 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 2bw2 n PRO 92 Cb 0.66 -1.53 0.29 0.00 -0.04 0.00 0.00 33.50 32.88 2bw2 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bw2 n ALA 93 N -1.52 3.38 -2.57 0.55 0.00 -1.26 -4.90 120.51 114.20 2bw2 n ALA 93 Ca 0.03 -0.39 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 2bw2 n ALA 93 Cb 0.17 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 2bw2 n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bw2 s SER 94 N -2.77 6.15 -0.29 0.00 1.04 -0.24 -5.06 113.70 112.53 2bw2 s SER 94 Ca 0.17 0.36 -0.17 0.00 0.48 0.00 0.00 55.95 56.78 2bw2 s SER 94 Cb 0.18 -1.84 -0.02 0.00 0.10 0.00 0.00 66.02 64.44 2bw2 s SER 94 CO 0.62 -0.41 0.49 -1.61 0.98 0.00 0.00 173.24 173.32 2bw2 s GLU 95 N -4.36 3.94 0.16 4.02 2.02 -1.26 -4.86 118.70 118.36 2bw2 s GLU 95 Ca 0.42 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.25 2bw2 s GLU 95 Cb -0.10 -3.69 -0.08 0.00 0.10 0.00 0.00 34.13 30.36 2bw2 s GLU 95 CO 0.36 -0.42 1.33 -2.14 0.02 0.00 0.00 175.26 174.41 2bw2 s PRO 96 N 2.29 4.37 -0.08 0.39 0.02 -1.26 -3.68 135.00 137.05 2bw2 s PRO 96 Ca 0.19 2.04 -0.25 0.00 0.02 0.00 0.00 61.00 63.00 2bw2 s PRO 96 Cb -0.16 -3.22 -0.25 0.00 0.02 0.00 0.00 34.50 30.89 2bw2 s PRO 96 CO 0.10 -0.31 0.93 0.82 -0.33 0.00 0.00 177.00 178.21 2bw2 h ILE 97 N 3.97 1.61 -1.67 2.83 2.04 -1.54 -3.49 117.51 121.26 2bw2 h ILE 97 Ca -0.44 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.28 2bw2 h ILE 97 Cb 1.21 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 40.31 2bw2 h ILE 97 CO 0.81 0.58 0.00 0.00 0.00 0.00 0.00 178.15 179.54 2bw2 n GLN 98 N -4.48 0.00 -3.82 2.37 0.00 -1.26 -4.94 117.38 105.24 2bw2 n GLN 98 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 56.77 2bw2 n GLN 98 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.66 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 -0.14 -0.15 -0.07 2.61 0.01 -1.26 -4.44 113.70 110.26 2bw2 s SER 99 Ca 0.00 0.30 -0.07 0.00 1.31 0.00 0.00 55.95 57.48 2bw2 s SER 99 Cb 0.00 0.30 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 2bw2 s SER 99 CO 0.00 -0.05 -0.15 0.49 0.41 0.00 0.00 173.24 173.94 2bw2 n PHE 100 N 3.02 0.00 -3.93 2.43 3.72 -1.26 -5.01 117.46 116.42 2bw2 n PHE 100 Ca -0.13 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.19 2bw2 n PHE 100 Cb 0.59 -0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 38.88 2bw2 n PHE 100 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2bw2 s PHE 101 N -1.87 0.12 -0.07 1.38 5.36 -1.26 -5.03 117.98 116.61 2bw2 s PHE 101 Ca -0.12 -0.53 0.02 0.00 -0.96 0.00 0.00 56.93 55.34 2bw2 s PHE 101 Cb 0.02 0.44 0.02 0.00 -0.34 0.00 0.00 43.02 43.15 2bw2 s PHE 101 CO 0.18 -1.12 -0.10 -1.14 -1.46 0.00 0.00 175.22 171.57 2bw2 s GLN 102 N -3.91 1.52 0.32 10.12 0.74 -1.25 -0.76 119.66 126.43 2bw2 s GLN 102 Ca 0.17 -0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.28 2bw2 s GLN 102 Cb -0.03 -1.31 -0.06 0.00 1.10 0.00 0.00 33.01 32.70 2bw2 s GLN 102 CO 0.08 -0.02 0.06 0.96 -0.55 0.00 0.00 175.29 175.83 2bw2 s ILE 103 N 0.82 1.10 -0.53 -2.34 -4.36 0.75 -4.30 121.20 112.32 2bw2 s ILE 103 Ca -0.12 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.01 2bw2 s ILE 103 Cb -0.15 -2.77 0.03 0.00 1.25 0.00 0.00 42.46 40.83 2bw2 s ILE 103 CO 0.02 0.00 1.02 -1.81 0.24 0.00 0.00 174.94 174.41 2bw2 s ASP 104 N -3.47 6.43 0.36 4.36 1.11 -1.26 -2.74 116.67 121.45 2bw2 s ASP 104 Ca 0.36 -0.06 0.09 0.00 0.18 0.00 0.00 52.55 53.13 2bw2 s ASP 104 Cb 0.08 -2.48 0.68 0.00 1.07 0.00 0.00 42.92 42.27 2bw2 s ASP 104 CO 0.15 -1.26 1.84 -0.07 1.18 0.00 0.00 175.17 177.01 2bw2 h LEU 105 N 11.17 0.21 -2.01 1.23 3.38 -1.83 -0.13 115.31 127.34 2bw2 h LEU 105 Ca -0.25 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2bw2 h LEU 105 Cb 1.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2bw2 h LEU 105 CO 1.11 0.46 0.00 1.05 0.09 0.00 0.00 178.44 181.15 2bw2 h GLU 106 N 0.20 0.00 0.00 1.13 4.11 -1.89 -1.52 114.58 116.61 2bw2 h GLU 106 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2bw2 h GLU 106 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2bw2 h GLU 106 CO 0.04 0.00 -1.15 2.89 0.07 0.00 0.00 179.01 180.86 2bw2 n ARG 107 N -2.78 0.26 -0.76 1.06 1.85 -0.09 -4.94 116.66 111.26 2bw2 n ARG 107 Ca -0.01 -0.03 -0.32 0.00 -1.00 0.00 0.00 57.85 56.48 2bw2 n ARG 107 Cb 0.13 -1.55 0.14 0.00 -1.05 0.00 0.00 32.46 30.12 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 -1.87 0.85 0.00 2.89 7.99 -0.57 -4.99 117.00 121.29 2bw2 n LEU 108 Ca 0.02 0.35 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 2bw2 n LEU 108 Cb 0.42 -1.29 0.00 0.00 -0.11 0.00 0.00 43.42 42.45 2bw2 n LEU 108 CO 0.42 -3.19 0.36 -0.62 -1.51 0.00 0.00 177.39 172.85 2bw2 n GLU 109 N -2.48 0.00 0.00 3.23 1.02 -1.26 -5.00 120.64 116.14 2bw2 n GLU 109 Ca 0.08 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 2bw2 n GLU 109 Cb 0.53 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bw2 n SER 110 N -1.37 0.00 0.05 1.62 2.88 -1.26 -4.96 113.62 110.58 2bw2 n SER 110 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2bw2 n SER 110 Cb 0.00 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 63.95 2bw2 n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bw2 n HIS 111 N -0.36 0.45 -0.10 0.66 1.44 -1.26 -3.59 115.22 112.46 2bw2 n HIS 111 Ca 0.00 0.14 -0.09 0.00 -2.01 0.00 0.00 57.72 55.76 2bw2 n HIS 111 Cb 0.00 -0.72 -0.03 0.00 0.12 0.00 0.00 29.99 29.36 2bw2 n HIS 111 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2bw2 h MET 112 N 0.00 -0.30 -0.53 -1.40 2.07 -1.96 0.97 114.93 113.79 2bw2 h MET 112 Ca 0.00 0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.60 2bw2 h MET 112 Cb 0.55 0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.33 2bw2 h MET 112 CO 0.00 -0.20 0.13 -0.56 1.07 0.00 0.00 176.91 177.36 2bw2 h GLN 113 N -0.31 0.84 -0.86 1.72 3.07 -1.90 -2.38 115.11 115.29 2bw2 h GLN 113 Ca 0.15 -0.20 0.15 0.00 0.09 0.00 0.00 58.65 58.84 2bw2 h GLN 113 Cb 0.56 -0.11 -0.07 0.00 0.08 0.00 0.00 27.48 27.94 2bw2 h GLN 113 CO -0.51 0.79 0.56 0.87 0.09 0.00 0.00 178.83 180.63 2bw2 h LYS 114 N 0.73 0.57 -0.14 0.06 6.56 -1.52 0.83 116.57 123.67 2bw2 h LYS 114 Ca 0.17 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2bw2 h LYS 114 Cb 0.33 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2bw2 h LYS 114 CO 0.00 0.38 0.08 -0.91 -2.06 0.00 0.00 179.45 176.94 2bw2 h ASN 115 N 0.59 0.16 0.29 0.86 2.35 -0.32 -2.16 115.58 117.34 2bw2 h ASN 115 Ca 0.43 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 56.09 2bw2 h ASN 115 Cb 0.81 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2bw2 h ASN 115 CO -0.18 0.14 -0.29 -0.07 -1.65 0.00 0.00 177.43 175.38 2bw2 h LEU 116 N 0.16 0.00 -0.74 1.61 3.38 -0.96 -2.08 115.31 116.69 2bw2 h LEU 116 Ca 0.05 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2bw2 h LEU 116 Cb 0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2bw2 h LEU 116 CO -0.01 0.29 0.18 -0.07 0.09 0.00 0.00 178.44 178.92 2bw2 h LEU 117 N 0.00 1.07 0.00 1.67 3.38 -0.29 -2.78 115.31 118.37 2bw2 h LEU 117 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2bw2 h LEU 117 Cb 0.51 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2bw2 h LEU 117 CO 0.04 1.02 -0.98 2.29 0.09 0.00 0.00 178.44 180.90 2bw2 n LYS 118 N -4.23 0.41 0.00 1.13 0.00 -0.89 -4.52 118.16 110.05 2bw2 n LYS 118 Ca 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2bw2 n LYS 118 Cb 0.26 -1.68 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 2bw2 n LYS 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bw2 n GLY 119 N 1.30 3.60 0.14 2.58 0.00 -0.83 -4.46 105.19 107.51 2bw2 n GLY 119 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2bw2 n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bw2 n ILE 120 N 0.00 -0.25 0.82 -0.61 5.41 -1.25 -0.15 119.36 123.33 2bw2 n ILE 120 Ca 0.00 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2bw2 n ILE 120 Cb 0.00 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 2bw2 n ILE 120 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2bw2 n PRO 121 N -1.60 0.82 0.00 0.38 -0.04 -1.26 -4.39 135.00 128.91 2bw2 n PRO 121 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2bw2 n PRO 121 Cb 0.04 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.44 -1.39 -3.87 0.54 7.35 -1.24 -4.93 117.46 114.37 2bw2 n PHE 122 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 2bw2 n PHE 122 Cb 0.35 0.16 -0.12 0.00 0.35 0.00 0.00 39.48 40.22 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 0.00 0.26 1.10 -4.13 1.81 -1.26 -5.02 118.95 111.72 2bw2 s ARG 123 Ca 0.00 -0.14 -0.18 0.00 -1.72 0.00 0.00 55.73 53.69 2bw2 s ARG 123 Cb 0.00 0.11 0.25 0.00 -0.45 0.00 0.00 34.95 34.86 2bw2 s ARG 123 CO 0.00 -0.05 1.18 0.99 -0.68 0.00 0.00 175.30 176.73 2bw2 s THR 124 N -0.63 1.76 0.20 0.02 2.01 -1.26 -4.45 115.64 113.29 2bw2 s THR 124 Ca -0.07 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.79 2bw2 s THR 124 Cb -0.04 -2.66 0.19 0.00 0.01 0.00 0.00 72.50 70.00 2bw2 s THR 124 CO 0.00 0.00 1.64 0.07 -0.69 0.00 0.00 174.62 175.65 2bw2 h LYS 125 N -2.20 0.01 0.00 4.92 2.10 -1.97 0.37 116.57 119.80 2bw2 h LYS 125 Ca -0.45 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.14 2bw2 h LYS 125 Cb 1.28 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 2bw2 h LYS 125 CO 0.38 0.01 -0.54 0.00 -2.00 0.00 0.00 179.45 177.30 2bw2 h ALA 126 N 1.56 0.75 0.00 0.07 0.00 -1.91 -2.98 119.26 116.76 2bw2 h ALA 126 Ca 0.28 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2bw2 h ALA 126 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2bw2 h ALA 126 CO -0.57 0.34 -0.98 0.93 0.00 0.00 0.00 179.25 178.96 2bw2 h GLU 127 N 0.00 0.00 0.16 0.00 5.08 -1.33 -1.87 114.58 116.62 2bw2 h GLU 127 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2bw2 h GLU 127 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2bw2 h GLU 127 CO 0.03 0.96 -0.08 0.35 -1.00 0.00 0.00 179.01 179.27 2bw2 h PHE 128 N 0.00 -0.20 0.00 4.33 3.57 -0.31 -0.99 116.94 123.35 2bw2 h PHE 128 Ca -0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2bw2 h PHE 128 Cb 1.75 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.55 2bw2 h PHE 128 CO 0.00 0.12 -0.05 1.05 -2.23 0.00 0.00 178.31 177.21 2bw2 h GLU 129 N -0.53 0.00 -0.11 1.11 4.11 -1.55 0.46 114.58 118.06 2bw2 h GLU 129 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.36 2bw2 h GLU 129 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2bw2 h GLU 129 CO 0.04 0.05 -0.13 0.22 0.07 0.00 0.00 179.01 179.26 2bw2 h ASP 130 N 0.00 0.30 -0.07 3.06 1.82 -1.06 -0.16 116.42 120.30 2bw2 h ASP 130 Ca -0.00 -0.50 -0.17 0.00 -0.39 0.00 0.00 57.03 55.96 2bw2 h ASP 130 Cb 0.39 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 2bw2 h ASP 130 CO 0.01 0.74 -0.57 1.62 -1.61 0.00 0.00 179.24 179.42 2bw2 h VAL 131 N -0.14 1.31 -0.51 2.25 3.04 -0.77 -3.08 116.25 118.35 2bw2 h VAL 131 Ca 0.01 -1.81 -0.04 0.00 -1.01 0.00 0.00 66.70 63.85 2bw2 h VAL 131 Cb 0.66 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.68 2bw2 h VAL 131 CO 0.03 0.57 0.14 0.40 -1.01 0.00 0.00 177.57 177.70 2bw2 h ILE 132 N 0.50 1.21 -0.03 3.17 5.03 -0.90 -1.35 117.51 125.13 2bw2 h ILE 132 Ca 0.00 -0.75 -0.09 0.00 -0.12 0.00 0.00 64.86 63.91 2bw2 h ILE 132 Cb 1.14 0.67 -0.01 0.00 -3.03 0.00 0.00 36.82 35.59 2bw2 h ILE 132 CO 0.11 0.28 -0.39 1.05 -0.68 0.00 0.00 178.15 178.52 2bw2 h GLU 133 N 0.75 0.07 -0.14 2.37 4.11 -1.00 -0.86 114.58 119.87 2bw2 h GLU 133 Ca 0.17 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.38 2bw2 h GLU 133 Cb 0.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2bw2 h GLU 133 CO -0.01 0.45 -0.70 1.25 0.07 0.00 0.00 179.01 180.07 2bw2 h HIS 134 N 0.06 0.82 -0.04 2.06 2.76 -1.29 -1.59 115.15 117.93 2bw2 h HIS 134 Ca 0.00 -0.34 -0.00 0.00 -2.20 0.00 0.00 60.37 57.83 2bw2 h HIS 134 Cb 0.72 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.54 2bw2 h HIS 134 CO 0.00 1.13 0.02 0.52 -1.30 0.00 0.00 177.93 178.31 2bw2 h MET 135 N 0.43 0.05 0.00 5.26 2.86 -0.80 -2.74 114.93 119.99 2bw2 h MET 135 Ca -0.03 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2bw2 h MET 135 Cb 1.30 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2bw2 h MET 135 CO 0.13 0.08 0.00 1.57 1.06 0.00 0.00 176.91 179.75 2bw2 h LYS 136 N 0.01 0.00 0.00 1.72 2.10 -1.07 -1.48 116.57 117.85 2bw2 h LYS 136 Ca 0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 2bw2 h LYS 136 Cb 0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2bw2 h LYS 136 CO -0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 179.45 177.31 2bw2 h THR 137 N 0.00 0.71 0.00 0.07 1.03 -0.96 -2.86 112.91 110.90 2bw2 h THR 137 Ca 0.00 -0.58 -0.03 0.00 -0.01 0.00 0.00 66.41 65.79 2bw2 h THR 137 Cb 0.46 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 68.89 2bw2 h THR 137 CO 0.00 0.14 -0.26 1.88 -0.01 0.00 0.00 175.52 177.27 2bw2 h TYR 138 N 0.00 0.00 -0.19 0.00 0.05 -1.33 -3.47 116.97 112.03 2bw2 h TYR 138 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2bw2 h TYR 138 Cb 0.34 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2bw2 h TYR 138 CO 0.00 0.59 -0.04 -1.13 -1.05 0.00 0.00 178.16 176.53 2bw2 n SER 139 N -4.64 -4.15 0.00 3.88 3.41 -0.95 -4.89 113.62 106.27 2bw2 n SER 139 Ca -0.09 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2bw2 n SER 139 Cb 0.31 -2.74 0.00 0.00 -0.26 0.00 0.00 64.21 61.52 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49