#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 0.99 0.43 0.00 2.02 -1.26 -5.14 118.70 115.74 2bw2 s GLU 2 Ca 0.00 -1.01 0.06 0.00 0.02 0.00 0.00 54.97 54.04 2bw2 s GLU 2 Cb 0.00 -1.11 -0.05 0.00 0.10 0.00 0.00 34.13 33.07 2bw2 s GLU 2 CO 0.00 0.26 0.14 0.14 0.02 0.00 0.00 175.26 175.82 2bw2 s VAL 3 N -1.14 2.07 -0.30 2.63 -7.23 -1.26 -5.11 120.40 110.06 2bw2 s VAL 3 Ca 0.02 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.33 2bw2 s VAL 3 Cb -0.10 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 2bw2 s VAL 3 CO 0.03 0.00 0.13 -1.61 -0.31 0.00 0.00 175.10 173.34 2bw2 s GLU 4 N -3.89 3.31 0.67 4.82 2.02 -1.26 -5.07 118.70 119.30 2bw2 s GLU 4 Ca 0.36 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.49 2bw2 s GLU 4 Cb 0.04 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.78 2bw2 s GLU 4 CO 0.19 -0.40 1.06 -1.01 0.02 0.00 0.00 175.26 175.13 2bw2 s HIS 5 N 1.59 3.00 -0.20 1.61 3.76 -1.26 -4.98 115.29 118.81 2bw2 s HIS 5 Ca 0.04 1.47 -0.02 0.00 -0.15 0.00 0.00 55.06 56.40 2bw2 s HIS 5 Cb -0.17 -2.94 -0.12 0.00 1.11 0.00 0.00 32.58 30.46 2bw2 s HIS 5 CO 0.05 -1.27 -0.20 0.66 -0.85 0.00 0.00 174.74 173.14 2bw2 n TYR 6 N -2.81 0.00 -3.10 1.40 4.02 -1.26 -4.91 117.16 110.49 2bw2 n TYR 6 Ca 0.08 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.58 2bw2 n TYR 6 Cb 0.53 -0.75 -0.05 0.00 -0.02 0.00 0.00 39.34 39.05 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 -2.39 4.40 0.75 -0.72 0.41 -1.26 -5.07 118.70 114.83 2bw2 s GLU 7 Ca -0.27 0.88 -0.09 0.00 -0.41 0.00 0.00 54.97 55.08 2bw2 s GLU 7 Cb 0.08 -3.36 0.17 0.00 -1.78 0.00 0.00 34.13 29.23 2bw2 s GLU 7 CO 0.43 0.30 1.02 -0.35 -0.49 0.00 0.00 175.26 176.18 2bw2 n PRO 8 N 2.86 -0.70 -3.81 0.39 -0.05 -1.26 -4.53 135.00 127.90 2bw2 n PRO 8 Ca -0.05 -1.94 -0.27 0.00 -0.05 0.00 0.00 63.50 61.20 2bw2 n PRO 8 Cb 0.51 -0.94 -0.17 0.00 -0.05 0.00 0.00 33.50 32.85 2bw2 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 2bw2 s LEU 9 N 0.00 1.20 -0.73 1.53 1.98 0.12 -4.85 118.68 117.92 2bw2 s LEU 9 Ca 0.61 -0.55 -0.26 0.00 -2.89 0.00 0.00 54.13 51.03 2bw2 s LEU 9 Cb -0.02 -0.69 0.00 0.00 0.66 0.00 0.00 46.19 46.15 2bw2 s LEU 9 CO 0.42 -0.22 1.59 -1.10 -1.89 0.00 0.00 176.35 175.15 2bw2 s GLN 10 N 1.80 2.94 -0.21 1.98 -0.21 -1.26 -1.15 119.66 123.55 2bw2 s GLN 10 Ca 0.01 0.00 -0.18 0.00 0.02 0.00 0.00 55.36 55.22 2bw2 s GLN 10 Cb -0.15 -4.47 -0.03 0.00 1.00 0.00 0.00 33.01 29.36 2bw2 s GLN 10 CO -0.07 -2.51 0.48 0.08 -2.12 0.00 0.00 175.29 171.15 2bw2 s VAL 11 N 7.42 5.12 -0.56 1.09 1.01 0.63 -4.68 120.40 130.43 2bw2 s VAL 11 Ca 0.52 0.87 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 2bw2 s VAL 11 Cb -0.09 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.60 2bw2 s VAL 11 CO 0.13 0.18 0.60 -2.28 0.00 0.00 0.00 175.10 173.73 2bw2 s HIS 12 N 1.68 3.12 -0.13 5.22 2.46 0.74 -0.53 115.29 127.84 2bw2 s HIS 12 Ca 0.22 -1.09 -0.15 0.00 0.47 0.00 0.00 55.06 54.51 2bw2 s HIS 12 Cb -0.15 -3.88 -0.05 0.00 -0.13 0.00 0.00 32.58 28.37 2bw2 s HIS 12 CO 0.09 -1.15 0.37 0.14 -2.47 0.00 0.00 174.74 171.72 2bw2 s VAL 13 N 2.18 5.24 -0.42 0.89 -7.23 0.76 -0.52 120.40 121.29 2bw2 s VAL 13 Ca 0.08 0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 60.86 2bw2 s VAL 13 Cb -0.27 -3.71 0.07 0.00 0.56 0.00 0.00 36.38 33.04 2bw2 s VAL 13 CO 0.05 0.39 0.28 -1.58 -0.31 0.00 0.00 175.10 173.93 2bw2 s GLN 14 N 0.33 2.73 -0.39 4.82 0.74 0.05 -1.05 119.66 126.90 2bw2 s GLN 14 Ca 0.21 -1.36 -0.16 0.00 0.05 0.00 0.00 55.36 54.09 2bw2 s GLN 14 Cb -0.14 -3.85 0.01 0.00 1.10 0.00 0.00 33.01 30.12 2bw2 s GLN 14 CO 0.07 -0.92 0.40 -0.51 -0.55 0.00 0.00 175.29 173.78 2bw2 s LEU 15 N 1.50 4.74 -0.12 3.68 1.43 0.96 -1.25 118.68 129.62 2bw2 s LEU 15 Ca 0.03 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.44 2bw2 s LEU 15 Cb -0.23 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 2bw2 s LEU 15 CO 0.04 -0.48 0.35 -1.61 0.23 0.00 0.00 176.35 174.88 2bw2 s GLU 16 N 2.05 4.17 -0.29 1.70 2.02 0.57 -0.34 118.70 128.57 2bw2 s GLU 16 Ca 0.11 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.37 2bw2 s GLU 16 Cb -0.17 -3.38 0.08 0.00 0.10 0.00 0.00 34.13 30.76 2bw2 s GLU 16 CO 0.13 0.34 -0.04 0.15 0.02 0.00 0.00 175.26 175.85 2bw2 s LYS 17 N 0.13 1.89 -0.79 1.61 1.02 -0.43 0.02 119.74 123.17 2bw2 s LYS 17 Ca 0.20 -1.57 -0.22 0.00 0.02 0.00 0.00 55.97 54.40 2bw2 s LYS 17 Cb -0.14 -3.01 0.08 0.00 -0.52 0.00 0.00 37.83 34.23 2bw2 s LYS 17 CO 0.07 -0.73 1.12 0.08 -0.92 0.00 0.00 175.35 174.97 2bw2 s VAL 18 N 1.03 4.30 0.19 3.17 1.01 -0.74 -1.91 120.40 127.45 2bw2 s VAL 18 Ca -0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2bw2 s VAL 18 Cb -0.20 -4.79 -0.08 0.00 0.00 0.00 0.00 36.38 31.31 2bw2 s VAL 18 CO -0.06 -1.59 1.02 -0.31 0.00 0.00 0.00 175.10 174.15 2bw2 s TYR 19 N 4.04 3.76 0.46 5.22 1.51 -1.25 -4.36 117.35 126.74 2bw2 s TYR 19 Ca 0.30 1.76 0.29 0.00 -1.01 0.00 0.00 57.07 58.41 2bw2 s TYR 19 Cb -0.10 -3.13 1.60 0.00 -0.11 0.00 0.00 41.96 40.22 2bw2 s TYR 19 CO 0.03 -0.08 2.13 -0.07 -1.11 0.00 0.00 175.55 176.45 2bw2 h LEU 20 N 4.77 0.00 -1.63 -1.29 3.38 -1.52 -1.62 115.31 117.41 2bw2 h LEU 20 Ca -0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2bw2 h LEU 20 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2bw2 h LEU 20 CO 0.70 0.08 -0.14 -2.24 0.09 0.00 0.00 178.44 176.93 2bw2 h ASP 21 N 0.00 0.00 0.00 -0.43 2.03 -1.92 -3.46 116.42 112.64 2bw2 h ASP 21 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2bw2 h ASP 21 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2bw2 h ASP 21 CO 0.01 0.14 0.00 0.61 -1.03 0.00 0.00 179.24 178.97 2bw2 n GLY 22 N -0.31 1.90 3.49 7.15 0.00 -0.61 -4.72 105.19 112.09 2bw2 n GLY 22 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.96 6.25 -0.10 1.61 2.15 -1.26 -4.48 116.67 118.89 2bw2 s ASP 23 Ca 0.00 -0.64 -0.17 0.00 0.43 0.00 0.00 52.55 52.16 2bw2 s ASP 23 Cb 0.00 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 2bw2 s ASP 23 CO 0.00 -1.36 0.45 -0.69 -0.17 0.00 0.00 175.17 173.40 2bw2 s VAL 24 N 4.12 5.16 -0.46 1.11 1.01 -1.26 -3.75 120.40 126.32 2bw2 s VAL 24 Ca 0.27 0.90 -0.23 0.00 0.00 0.00 0.00 61.98 62.92 2bw2 s VAL 24 Cb -0.14 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2bw2 s VAL 24 CO 0.15 0.38 0.79 -0.55 0.00 0.00 0.00 175.10 175.87 2bw2 s SER 25 N 0.27 6.39 -0.36 3.32 0.15 -0.80 -4.86 113.70 117.81 2bw2 s SER 25 Ca 0.25 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.51 2bw2 s SER 25 Cb -0.15 -2.39 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2bw2 s SER 25 CO 0.10 -0.95 0.68 -0.63 1.20 0.00 0.00 173.24 173.65 2bw2 s ILE 26 N 3.32 4.84 -0.14 6.45 -1.09 -1.26 -1.31 121.20 132.00 2bw2 s ILE 26 Ca 0.29 0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 59.35 2bw2 s ILE 26 Cb -0.12 -4.13 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 2bw2 s ILE 26 CO 0.22 -0.37 -0.10 -0.70 -1.23 0.00 0.00 174.94 172.76 2bw2 s GLU 27 N 2.84 3.45 -0.27 2.79 2.12 0.54 -4.95 118.70 125.22 2bw2 s GLU 27 Ca 0.26 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 2bw2 s GLU 27 Cb -0.14 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.52 2bw2 s GLU 27 CO 0.16 0.18 0.03 -1.01 -0.54 0.00 0.00 175.26 174.08 2bw2 s HIS 28 N 0.46 3.09 0.11 5.30 3.76 -1.26 -0.03 115.29 126.71 2bw2 s HIS 28 Ca -0.08 -1.01 0.07 0.00 -0.15 0.00 0.00 55.06 53.88 2bw2 s HIS 28 Cb -0.15 -2.19 -0.03 0.00 1.11 0.00 0.00 32.58 31.32 2bw2 s HIS 28 CO 0.04 -0.57 -0.17 0.15 -0.85 0.00 0.00 174.74 173.34 2bw2 s LYS 29 N 1.48 1.02 -0.21 1.40 1.02 -0.22 -4.99 119.74 119.24 2bw2 s LYS 29 Ca 0.03 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 54.88 2bw2 s LYS 29 Cb -0.16 -1.07 0.04 0.00 -0.52 0.00 0.00 37.83 36.12 2bw2 s LYS 29 CO 0.00 0.23 -0.11 -3.38 -0.92 0.00 0.00 175.35 171.18 2bw2 s HIS 30 N -1.58 2.56 -0.03 3.18 -3.43 -1.25 -0.17 115.29 114.57 2bw2 s HIS 30 Ca 0.06 -1.71 0.07 0.00 -0.80 0.00 0.00 55.06 52.67 2bw2 s HIS 30 Cb -0.08 -1.69 -0.02 0.00 -1.43 0.00 0.00 32.58 29.36 2bw2 s HIS 30 CO 0.04 -0.77 -0.24 -1.83 -2.00 0.00 0.00 174.74 169.94 2bw2 s GLU 31 N 1.35 2.05 -0.23 -0.38 -1.05 0.31 -4.86 118.70 115.88 2bw2 s GLU 31 Ca -0.02 -0.84 -0.17 0.00 -0.15 0.00 0.00 54.97 53.78 2bw2 s GLU 31 Cb -0.17 -1.90 -0.03 0.00 -0.44 0.00 0.00 34.13 31.59 2bw2 s GLU 31 CO -0.08 0.46 0.47 0.15 0.95 0.00 0.00 175.26 177.22 2bw2 s LYS 32 N -0.43 4.12 -0.02 -4.83 1.02 -1.24 -0.27 119.74 118.10 2bw2 s LYS 32 Ca 0.05 0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.36 2bw2 s LYS 32 Cb -0.10 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 2bw2 s LYS 32 CO 0.00 -0.21 -0.10 0.54 -0.92 0.00 0.00 175.35 174.67 2bw2 s VAL 33 N 1.84 0.81 0.09 3.17 0.11 -0.30 -4.77 120.40 121.35 2bw2 s VAL 33 Ca 0.21 -0.39 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 2bw2 s VAL 33 Cb -0.15 -0.71 -0.25 0.00 -1.53 0.00 0.00 36.38 33.74 2bw2 s VAL 33 CO 0.09 0.25 1.20 -0.26 -3.33 0.00 0.00 175.10 173.04 2bw2 h PHE 34 N 6.28 0.56 -3.32 1.54 0.04 -1.88 0.33 116.94 120.49 2bw2 h PHE 34 Ca -0.33 -0.37 -0.63 0.00 2.80 0.00 0.00 57.97 59.44 2bw2 h PHE 34 Cb 1.17 -0.04 -0.36 0.00 2.20 0.00 0.00 35.95 38.92 2bw2 h PHE 34 CO 0.43 1.25 -0.83 0.45 -0.60 0.00 0.00 178.31 179.01 2bw2 s SER 35 N -7.15 3.30 0.49 2.17 0.15 -1.26 -4.74 113.70 106.66 2bw2 s SER 35 Ca -0.05 -0.80 0.21 0.00 0.70 0.00 0.00 55.95 56.01 2bw2 s SER 35 Cb 0.08 -1.32 1.27 0.00 -1.71 0.00 0.00 66.02 64.34 2bw2 s SER 35 CO 0.88 -0.10 1.98 0.24 1.20 0.00 0.00 173.24 177.45 2bw2 h MET 36 N 7.96 0.14 -0.79 5.44 2.86 -2.00 -0.47 114.93 128.07 2bw2 h MET 36 Ca -0.33 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 2bw2 h MET 36 Cb 1.11 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 2bw2 h MET 36 CO 0.52 0.09 0.42 0.22 1.06 0.00 0.00 176.91 179.23 2bw2 h ASP 37 N 0.15 1.00 -0.34 1.22 3.58 -1.98 0.15 116.42 120.19 2bw2 h ASP 37 Ca 0.27 -0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 2bw2 h ASP 37 Cb 0.87 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 2bw2 h ASP 37 CO -0.04 0.82 -0.19 -0.78 -2.88 0.00 0.00 179.24 176.17 2bw2 h ASP 38 N 1.11 0.83 -0.62 2.28 3.58 -1.51 -1.03 116.42 121.05 2bw2 h ASP 38 Ca 0.28 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2bw2 h ASP 38 Cb 0.05 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 2bw2 h ASP 38 CO -0.04 1.00 0.13 0.15 -2.88 0.00 0.00 179.24 177.60 2bw2 h PHE 39 N 0.72 1.06 -0.39 0.28 3.04 -0.98 0.27 116.94 120.93 2bw2 h PHE 39 Ca 0.11 -0.13 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 2bw2 h PHE 39 Cb 0.71 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 2bw2 h PHE 39 CO 0.04 0.89 -0.05 -1.49 -2.02 0.00 0.00 178.31 175.68 2bw2 h TRP 40 N 0.91 0.69 -0.08 0.41 -0.00 -0.24 -0.54 115.95 117.11 2bw2 h TRP 40 Ca 0.19 -0.10 -0.15 0.00 -0.00 0.00 0.00 58.89 58.83 2bw2 h TRP 40 Cb 0.38 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.34 2bw2 h TRP 40 CO 0.03 0.69 -0.61 0.00 -0.00 0.00 0.00 178.44 178.55 2bw2 h ALA 41 N 1.34 0.83 -0.40 1.49 0.00 -0.86 0.21 119.26 121.87 2bw2 h ALA 41 Ca 0.12 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2bw2 h ALA 41 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2bw2 h ALA 41 CO 0.02 0.73 -0.12 0.00 0.00 0.00 0.00 179.25 179.88 2bw2 h ALA 42 N 1.17 0.55 -0.28 0.00 0.00 -0.08 -3.23 119.26 117.39 2bw2 h ALA 42 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2bw2 h ALA 42 Cb 1.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2bw2 h ALA 42 CO 0.10 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.44 2bw2 n TYR 43 N -4.32 0.85 -0.24 0.00 4.02 -0.29 -4.68 117.16 112.50 2bw2 n TYR 43 Ca -0.01 -0.79 0.26 0.00 -0.01 0.00 0.00 57.90 57.35 2bw2 n TYR 43 Cb 0.37 -0.25 0.63 0.00 -0.02 0.00 0.00 39.34 40.07 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 1.88 2.59 -0.02 -0.72 0.00 -0.60 -0.27 119.26 122.13 2bw2 h ALA 44 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2bw2 h ALA 44 Cb 1.29 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2bw2 h ALA 44 CO 0.18 -0.90 -0.60 0.78 0.00 0.00 0.00 179.25 178.71 2bw2 h GLY 45 N 0.19 0.06 -1.76 0.00 0.00 -1.85 -3.45 103.07 96.25 2bw2 h GLY 45 Ca 0.49 -0.07 -0.51 0.00 0.00 0.00 0.00 47.33 47.24 2bw2 h GLY 45 CO -0.11 0.06 0.39 -0.98 0.00 0.00 0.00 176.54 175.90 2bw2 s TRP 46 N -3.68 2.56 -0.25 5.60 0.52 -0.11 -4.98 118.94 118.60 2bw2 s TRP 46 Ca -0.02 1.55 -0.26 0.00 0.02 0.00 0.00 56.10 57.40 2bw2 s TRP 46 Cb 0.13 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 2bw2 s TRP 46 CO 0.77 -1.78 0.89 0.99 0.02 0.00 0.00 176.95 177.85 2bw2 s THR 47 N -2.21 4.77 -0.57 2.01 2.01 0.83 -4.86 115.64 117.62 2bw2 s THR 47 Ca 0.69 1.67 -0.28 0.00 0.31 0.00 0.00 61.69 64.07 2bw2 s THR 47 Cb -0.22 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.13 2bw2 s THR 47 CO 0.40 -0.14 1.19 -0.22 -0.69 0.00 0.00 174.62 175.16 2bw2 s LEU 48 N 2.99 3.47 -0.11 4.42 1.98 -1.26 -0.92 118.68 129.25 2bw2 s LEU 48 Ca 0.38 0.15 -0.21 0.00 -2.89 0.00 0.00 54.13 51.55 2bw2 s LEU 48 Cb -0.15 -3.21 -0.27 0.00 0.66 0.00 0.00 46.19 43.23 2bw2 s LEU 48 CO 0.08 -1.46 0.64 0.58 -1.89 0.00 0.00 176.35 174.29 2bw2 h VAL 49 N 6.17 1.31 -2.00 1.68 2.07 -1.13 -3.48 116.25 120.88 2bw2 h VAL 49 Ca -0.25 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 64.89 2bw2 h VAL 49 Cb 1.06 2.92 -0.19 0.00 -1.52 0.00 0.00 31.29 33.55 2bw2 h VAL 49 CO 1.18 0.62 0.33 -1.83 0.02 0.00 0.00 177.57 177.89 2bw2 s GLU 50 N -2.39 0.92 0.04 1.57 -1.05 -1.09 -5.03 118.70 111.67 2bw2 s GLU 50 Ca -0.20 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 2bw2 s GLU 50 Cb 0.02 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.12 2bw2 s GLU 50 CO 0.74 -0.31 -0.04 1.14 0.95 0.00 0.00 175.26 177.73 2bw2 s GLN 51 N -1.62 0.44 0.19 -4.83 -2.07 -1.26 -0.04 119.66 110.47 2bw2 s GLN 51 Ca -0.05 -0.79 -0.08 0.00 -1.82 0.00 0.00 55.36 52.61 2bw2 s GLN 51 Cb -0.00 0.01 -0.01 0.00 -1.09 0.00 0.00 33.01 31.91 2bw2 s GLN 51 CO 0.03 -0.03 0.30 -1.59 -1.32 0.00 0.00 175.29 172.67 2bw2 s LYS 52 N -2.03 1.24 -0.78 9.60 -2.85 0.31 -5.00 119.74 120.22 2bw2 s LYS 52 Ca -0.09 -1.27 -0.25 0.00 -1.00 0.00 0.00 55.97 53.35 2bw2 s LYS 52 Cb -0.06 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.06 2bw2 s LYS 52 CO -0.02 -0.46 1.83 0.21 0.10 0.00 0.00 175.35 177.01 2bw2 s LYS 53 N -4.01 2.70 0.00 1.78 2.36 -1.26 -2.04 119.74 119.27 2bw2 s LYS 53 Ca 0.22 0.02 0.00 0.00 -2.55 0.00 0.00 55.97 53.66 2bw2 s LYS 53 Cb 0.03 -4.75 0.00 0.00 -1.05 0.00 0.00 37.83 32.06 2bw2 s LYS 53 CO 0.04 -2.95 0.00 0.41 1.55 0.00 0.00 175.35 174.40 2bw2 n GLY 54 N 6.29 1.00 2.90 5.54 0.00 -1.26 -5.08 105.19 114.57 2bw2 n GLY 54 Ca 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.75 0.57 -0.03 1.61 6.14 -0.87 -0.19 117.35 123.82 2bw2 s TYR 55 Ca 0.00 -0.12 0.04 0.00 0.64 0.00 0.00 57.07 57.63 2bw2 s TYR 55 Cb 0.00 -0.49 -0.00 0.00 0.42 0.00 0.00 41.96 41.88 2bw2 s TYR 55 CO 0.00 -0.12 -0.16 0.08 0.64 0.00 0.00 175.55 176.00 2bw2 s VAL 56 N 0.60 1.29 -0.25 3.14 1.01 0.32 -0.53 120.40 125.97 2bw2 s VAL 56 Ca -0.07 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2bw2 s VAL 56 Cb -0.11 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.18 2bw2 s VAL 56 CO -0.00 0.37 -0.01 -0.22 0.00 0.00 0.00 175.10 175.24 2bw2 s LEU 57 N -0.01 3.30 0.12 3.92 2.96 0.94 -0.77 118.68 129.13 2bw2 s LEU 57 Ca -0.02 -0.69 0.09 0.00 -0.22 0.00 0.00 54.13 53.30 2bw2 s LEU 57 Cb -0.10 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2bw2 s LEU 57 CO 0.01 -0.12 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.34 2bw2 s PHE 58 N 1.42 1.98 0.01 5.38 0.08 -0.38 -0.46 117.98 126.01 2bw2 s PHE 58 Ca 0.02 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.72 2bw2 s PHE 58 Cb -0.16 -1.07 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 2bw2 s PHE 58 CO -0.02 0.26 -0.14 -0.98 -0.10 0.00 0.00 175.22 174.24 2bw2 s ARG 59 N -2.01 1.08 -0.05 0.44 1.70 -0.09 -0.32 118.95 119.70 2bw2 s ARG 59 Ca 0.10 -0.62 -0.00 0.00 -0.47 0.00 0.00 55.73 54.73 2bw2 s ARG 59 Cb -0.10 -1.07 0.03 0.00 -0.57 0.00 0.00 34.95 33.24 2bw2 s ARG 59 CO 0.05 0.28 -0.01 0.21 -1.08 0.00 0.00 175.30 174.76 2bw2 s LYS 60 N -0.67 0.53 -0.24 3.89 2.47 0.10 -0.12 119.74 125.69 2bw2 s LYS 60 Ca 0.04 0.06 0.02 0.00 -1.56 0.00 0.00 55.97 54.53 2bw2 s LYS 60 Cb -0.06 -0.76 0.06 0.00 -1.46 0.00 0.00 37.83 35.60 2bw2 s LYS 60 CO 0.00 -0.20 -0.09 1.14 0.16 0.00 0.00 175.35 176.36 2bw2 s GLN 61 N 1.42 2.02 0.01 4.03 -2.07 -1.26 -1.79 119.66 122.03 2bw2 s GLN 61 Ca -0.04 -1.16 0.25 0.00 -1.82 0.00 0.00 55.36 52.59 2bw2 s GLN 61 Cb -0.13 -2.73 1.05 0.00 -1.09 0.00 0.00 33.01 30.11 2bw2 s GLN 61 CO -0.03 -0.55 1.79 -1.33 -1.32 0.00 0.00 175.29 173.85 2bw2 n MET 62 N 4.55 0.01 -2.26 9.60 2.81 -1.26 -4.95 117.12 125.62 2bw2 n MET 62 Ca -0.14 0.09 -0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2bw2 n MET 62 Cb 0.43 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 2bw2 n MET 62 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2bw2 n ASP 63 N -1.54 -5.71 0.00 7.83 2.03 -1.26 -5.10 116.55 112.79 2bw2 n ASP 63 Ca 0.06 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.21 2bw2 n ASP 63 Cb 0.29 -3.68 0.00 0.00 -0.72 0.00 0.00 41.12 37.01 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2bw2 n ASP 64 N 0.36 0.00 -4.81 1.67 2.03 -1.26 -5.05 116.55 109.49 2bw2 n ASP 64 Ca 0.01 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.10 2bw2 n ASP 64 Cb 0.03 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.38 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2bw2 s ILE 65 N -2.00 2.84 0.59 5.18 -4.36 -1.26 -1.30 121.20 120.88 2bw2 s ILE 65 Ca 0.00 -1.50 -0.18 0.00 -0.26 0.00 0.00 60.65 58.70 2bw2 s ILE 65 Cb 0.00 -3.03 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 2bw2 s ILE 65 CO 0.00 -0.08 1.14 -0.44 0.24 0.00 0.00 174.94 175.81 2bw2 s SER 66 N -3.99 5.42 0.18 4.36 0.01 -1.26 -4.92 113.70 113.49 2bw2 s SER 66 Ca 0.43 2.19 -0.13 0.00 1.31 0.00 0.00 55.95 59.75 2bw2 s SER 66 Cb -0.02 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.72 2bw2 s SER 66 CO 0.25 -1.43 1.83 1.55 0.41 0.00 0.00 173.24 175.86 2bw2 h PRO 67 N 0.83 0.68 -0.04 12.44 0.13 -2.00 -2.22 132.00 141.82 2bw2 h PRO 67 Ca -0.49 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.47 2bw2 h PRO 67 Cb 1.27 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2bw2 h PRO 67 CO 0.56 0.45 -0.56 1.25 -0.23 0.00 0.00 178.00 179.47 2bw2 h LEU 68 N 0.70 0.14 -2.01 1.56 7.12 -2.00 -1.72 115.31 119.10 2bw2 h LEU 68 Ca 0.21 -0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 2bw2 h LEU 68 Cb -0.04 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.05 2bw2 h LEU 68 CO -0.07 0.67 -0.08 0.28 -0.13 0.00 0.00 178.44 179.11 2bw2 h SER 69 N 0.09 0.00 1.40 1.25 0.02 -1.79 0.90 113.55 115.42 2bw2 h SER 69 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 2bw2 h SER 69 Cb 1.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2bw2 h SER 69 CO 0.08 0.08 -0.60 0.11 -1.14 0.00 0.00 176.83 175.37 2bw2 h LYS 70 N 0.00 0.00 0.09 3.45 1.57 -0.86 -0.59 116.57 120.23 2bw2 h LYS 70 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2bw2 h LYS 70 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2bw2 h LYS 70 CO 0.01 0.58 -1.78 -0.39 -0.57 0.00 0.00 179.45 177.29 2bw2 h VAL 71 N 0.00 0.84 0.00 0.50 -1.51 -1.03 -3.41 116.25 111.64 2bw2 h VAL 71 Ca -0.01 -2.57 0.00 0.00 -1.23 0.00 0.00 66.70 62.89 2bw2 h VAL 71 Cb 1.45 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 33.18 2bw2 h VAL 71 CO 0.08 0.77 0.00 -3.20 -1.23 0.00 0.00 177.57 173.98 2bw2 n ASN 72 N -3.36 0.00 -2.41 4.19 2.85 0.17 -4.99 115.26 111.71 2bw2 n ASN 72 Ca -0.23 0.36 -0.04 0.00 -0.11 0.00 0.00 54.58 54.56 2bw2 n ASN 72 Cb 1.05 -0.43 0.02 0.00 1.24 0.00 0.00 39.78 41.66 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 2.00 -0.51 3.22 8.20 0.00 -0.23 -4.09 105.19 113.78 2bw2 n GLY 73 Ca 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.11 1.43 0.01 1.61 1.51 -1.24 -0.82 117.35 116.73 2bw2 s TYR 74 Ca 0.13 -0.46 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 2bw2 s TYR 74 Cb -0.02 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 2bw2 s TYR 74 CO 0.41 0.12 -0.19 0.42 -1.11 0.00 0.00 175.55 175.20 2bw2 s ILE 75 N -1.37 1.50 -0.32 2.71 1.01 -1.26 -4.18 121.20 119.30 2bw2 s ILE 75 Ca 0.02 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2bw2 s ILE 75 Cb -0.09 -1.28 0.10 0.00 0.01 0.00 0.00 42.46 41.20 2bw2 s ILE 75 CO 0.03 0.31 0.06 -0.83 0.00 0.00 0.00 174.94 174.51 2bw2 s GLY 76 N -0.74 1.62 -0.17 6.18 0.00 0.62 -3.89 107.32 110.94 2bw2 s GLY 76 Ca 0.07 -2.17 -0.06 0.00 0.00 0.00 0.00 44.72 42.56 2bw2 s GLY 76 CO 0.00 1.15 0.02 0.14 0.00 0.00 0.00 173.10 174.41 2bw2 s VAL 77 N 1.16 4.38 0.47 1.40 1.01 -0.96 -2.42 120.40 125.44 2bw2 s VAL 77 Ca 0.09 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.95 2bw2 s VAL 77 Cb -0.18 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.27 2bw2 s VAL 77 CO -0.13 0.47 0.65 -0.44 0.00 0.00 0.00 175.10 175.65 2bw2 s SER 78 N 0.39 5.49 0.41 3.32 0.01 -0.98 -4.20 113.70 118.14 2bw2 s SER 78 Ca -0.00 -0.37 0.18 0.00 1.31 0.00 0.00 55.95 57.07 2bw2 s SER 78 Cb -0.13 -0.60 1.10 0.00 0.21 0.00 0.00 66.02 66.60 2bw2 s SER 78 CO 0.01 -0.93 1.80 -0.78 0.41 0.00 0.00 173.24 173.76 2bw2 h ASP 79 N 0.44 0.43 -0.12 2.44 3.58 -1.97 0.50 116.42 121.72 2bw2 h ASP 79 Ca -0.39 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2bw2 h ASP 79 Cb 1.28 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2bw2 h ASP 79 CO 0.46 0.12 0.00 0.59 -2.88 0.00 0.00 179.24 177.53 2bw2 n ASN 80 N -4.57 1.44 -1.44 2.28 3.02 -1.26 -4.37 115.26 110.36 2bw2 n ASN 80 Ca 0.23 -2.11 -0.10 0.00 -0.03 0.00 0.00 54.58 52.58 2bw2 n ASN 80 Cb 0.82 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.36 0.13 3.60 7.41 0.00 0.17 -2.95 105.19 113.92 2bw2 n GLY 81 Ca 0.05 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.79 3.84 -0.06 1.61 1.01 -1.03 -0.54 120.40 122.45 2bw2 s VAL 82 Ca 0.12 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2bw2 s VAL 82 Cb -0.05 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.28 2bw2 s VAL 82 CO 0.15 -0.67 1.69 -0.38 0.00 0.00 0.00 175.10 175.89 2bw2 n ILE 83 N 7.06 1.83 -3.13 2.22 2.08 0.17 -2.33 119.36 127.26 2bw2 n ILE 83 Ca 0.17 -0.55 -0.24 0.00 0.56 0.00 0.00 62.75 62.70 2bw2 n ILE 83 Cb 0.48 -1.29 0.00 0.00 -0.75 0.00 0.00 39.64 38.08 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 1.33 6.06 -0.05 4.38 0.01 -1.02 -4.15 113.70 120.27 2bw2 s SER 84 Ca 0.06 0.40 -0.01 0.00 1.31 0.00 0.00 55.95 57.71 2bw2 s SER 84 Cb 0.05 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 2bw2 s SER 84 CO 0.00 -0.52 0.03 0.42 0.41 0.00 0.00 173.24 173.58 2bw2 s THR 85 N -2.46 4.43 -0.02 1.44 -4.23 -1.26 -0.28 115.64 113.26 2bw2 s THR 85 Ca 0.45 -0.35 0.04 0.00 -1.18 0.00 0.00 61.69 60.65 2bw2 s THR 85 Cb -0.10 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 2bw2 s THR 85 CO 0.38 0.49 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.46 2bw2 s PHE 86 N -1.01 1.15 -0.52 3.99 0.40 -1.26 -2.42 117.98 118.31 2bw2 s PHE 86 Ca 0.17 -0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 56.08 2bw2 s PHE 86 Cb -0.12 -0.76 0.09 0.00 0.51 0.00 0.00 43.02 42.74 2bw2 s PHE 86 CO 0.07 -0.05 0.53 -1.01 0.70 0.00 0.00 175.22 175.45 2bw2 s HIS 87 N -0.14 3.16 0.00 0.36 3.76 -1.26 -4.03 115.29 117.14 2bw2 s HIS 87 Ca 0.02 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 53.98 2bw2 s HIS 87 Cb -0.06 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.06 2bw2 s HIS 87 CO 0.00 -1.00 0.00 0.41 -0.85 0.00 0.00 174.74 173.30 2bw2 n GLY 88 N 5.22 1.22 3.68 -2.22 0.00 -1.26 -4.89 105.19 106.94 2bw2 n GLY 88 Ca -0.11 -2.23 -0.48 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.63 2.17 -2.00 1.61 5.12 -1.26 -4.83 116.66 116.84 2bw2 n ARG 89 Ca 0.00 0.80 -0.40 0.00 -1.93 0.00 0.00 57.85 56.32 2bw2 n ARG 89 Cb 0.00 -2.64 -0.03 0.00 -1.16 0.00 0.00 32.46 28.63 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 3.93 2.79 0.17 5.56 0.04 -1.26 -4.66 135.00 141.58 2bw2 s PRO 90 Ca 0.92 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 2bw2 s PRO 90 Cb -0.69 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 29.46 2bw2 s PRO 90 CO 0.51 -2.52 0.11 -1.83 0.04 0.00 0.00 177.00 173.31 2bw2 s GLU 91 N 6.72 1.09 0.60 4.56 -1.05 -1.26 -4.90 118.70 124.46 2bw2 s GLU 91 Ca 0.72 -1.54 0.40 0.00 -0.15 0.00 0.00 54.97 54.40 2bw2 s GLU 91 Cb -0.15 0.26 1.99 0.00 -0.44 0.00 0.00 34.13 35.79 2bw2 s GLU 91 CO 0.25 -0.34 2.20 -1.00 0.95 0.00 0.00 175.26 177.31 2bw2 h PRO 92 N 2.72 0.00 -0.00 -4.83 0.13 -2.03 0.10 132.00 128.08 2bw2 h PRO 92 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2bw2 h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2bw2 h PRO 92 CO 0.55 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.24 2bw2 n ALA 93 N -2.06 2.73 -2.18 -0.56 0.00 -1.26 -4.81 120.51 112.37 2bw2 n ALA 93 Ca -0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 2bw2 n ALA 93 Cb 0.15 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.35 5.76 -0.17 0.00 0.15 0.35 -5.10 113.70 112.34 2bw2 s SER 94 Ca 0.33 -0.34 -0.03 0.00 0.70 0.00 0.00 55.95 56.61 2bw2 s SER 94 Cb 0.20 -0.87 -0.02 0.00 -1.71 0.00 0.00 66.02 63.63 2bw2 s SER 94 CO 0.44 -0.64 -0.06 -1.61 1.20 0.00 0.00 173.24 172.57 2bw2 s GLU 95 N -4.28 3.51 -0.51 5.44 2.02 -1.26 -4.82 118.70 118.80 2bw2 s GLU 95 Ca 0.51 -0.59 -0.28 0.00 0.02 0.00 0.00 54.97 54.63 2bw2 s GLU 95 Cb -0.10 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.26 2bw2 s GLU 95 CO 0.32 0.10 1.56 -2.14 0.02 0.00 0.00 175.26 175.12 2bw2 s PRO 96 N 0.71 3.21 0.14 0.39 0.02 -1.26 -4.46 135.00 133.75 2bw2 s PRO 96 Ca -0.03 0.71 -0.12 0.00 0.02 0.00 0.00 61.00 61.58 2bw2 s PRO 96 Cb -0.15 -4.17 -0.00 0.00 0.02 0.00 0.00 34.50 30.19 2bw2 s PRO 96 CO 0.02 -2.03 1.55 0.82 -0.33 0.00 0.00 177.00 177.03 2bw2 h ILE 97 N 6.56 1.27 -2.81 2.83 2.04 -1.84 -3.47 117.51 122.09 2bw2 h ILE 97 Ca -0.28 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.26 2bw2 h ILE 97 Cb 1.12 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2bw2 h ILE 97 CO 1.15 0.43 0.13 0.00 0.00 0.00 0.00 178.15 179.86 2bw2 n GLN 98 N -4.23 0.71 -3.70 2.37 0.00 -1.26 -4.96 117.38 106.31 2bw2 n GLN 98 Ca -0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 57.00 55.28 2bw2 n GLN 98 Cb 0.40 1.86 -0.13 0.00 0.00 0.00 0.00 30.24 32.37 2bw2 n GLN 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2bw2 s SER 99 N -2.41 0.05 -0.07 2.61 0.15 -1.26 -4.25 113.70 108.52 2bw2 s SER 99 Ca 0.13 0.52 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 2bw2 s SER 99 Cb -0.03 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2bw2 s SER 99 CO 0.09 -0.20 -0.03 -0.26 1.20 0.00 0.00 173.24 174.04 2bw2 h PHE 100 N 7.68 0.00 -2.36 3.44 -1.00 -1.96 -3.50 116.94 119.24 2bw2 h PHE 100 Ca -0.29 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.60 2bw2 h PHE 100 Cb 1.14 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.68 2bw2 h PHE 100 CO 0.37 0.00 0.43 1.97 -1.61 0.00 0.00 178.31 179.48 2bw2 n PHE 101 N -3.63 -1.24 -4.38 -0.55 1.16 -1.26 -5.03 117.46 102.52 2bw2 n PHE 101 Ca -0.01 -1.01 -0.23 0.00 -1.87 0.00 0.00 57.45 54.32 2bw2 n PHE 101 Cb 0.05 0.49 -0.13 0.00 -1.61 0.00 0.00 39.48 38.28 2bw2 n PHE 101 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2bw2 s GLN 102 N -2.04 1.14 0.16 3.97 -0.21 -1.25 -0.65 119.66 120.77 2bw2 s GLN 102 Ca 0.17 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.52 2bw2 s GLN 102 Cb -0.02 -1.30 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 2bw2 s GLN 102 CO 0.05 0.31 0.03 0.96 -2.12 0.00 0.00 175.29 174.52 2bw2 s ILE 103 N -1.04 0.41 -0.47 1.08 -4.36 0.30 -3.37 121.20 113.75 2bw2 s ILE 103 Ca 0.05 -1.95 -0.25 0.00 -0.26 0.00 0.00 60.65 58.25 2bw2 s ILE 103 Cb -0.09 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.54 2bw2 s ILE 103 CO 0.03 -0.46 0.90 -1.81 0.24 0.00 0.00 174.94 173.84 2bw2 s ASP 104 N -3.12 6.46 0.35 4.36 1.11 -1.25 -2.40 116.67 122.18 2bw2 s ASP 104 Ca 0.24 0.01 0.13 0.00 0.18 0.00 0.00 52.55 53.11 2bw2 s ASP 104 Cb 0.07 -2.44 0.64 0.00 1.07 0.00 0.00 42.92 42.26 2bw2 s ASP 104 CO 0.03 -1.05 1.77 -0.07 1.18 0.00 0.00 175.17 177.04 2bw2 h LEU 105 N 10.55 0.00 -1.00 1.23 3.38 -1.87 -0.37 115.31 127.22 2bw2 h LEU 105 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2bw2 h LEU 105 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2bw2 h LEU 105 CO 1.02 0.43 0.00 1.05 0.09 0.00 0.00 178.44 181.03 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.89 -1.42 114.58 116.51 2bw2 h GLU 106 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bw2 h GLU 106 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2bw2 h GLU 106 CO 0.06 0.00 -1.15 2.89 0.07 0.00 0.00 179.01 180.88 2bw2 n ARG 107 N -2.46 0.53 -0.59 1.06 1.85 -0.20 -4.90 116.66 111.96 2bw2 n ARG 107 Ca 0.01 0.04 -0.29 0.00 -1.00 0.00 0.00 57.85 56.61 2bw2 n ARG 107 Cb 0.23 -1.72 0.22 0.00 -1.05 0.00 0.00 32.46 30.14 2bw2 n ARG 107 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2bw2 s LEU 108 N -4.85 1.57 0.00 2.89 2.01 -0.54 -5.03 118.68 114.73 2bw2 s LEU 108 Ca -0.00 1.78 0.00 0.00 0.01 0.00 0.00 54.13 55.92 2bw2 s LEU 108 Cb 0.12 -3.86 0.00 0.00 0.01 0.00 0.00 46.19 42.45 2bw2 s LEU 108 CO 0.81 -3.83 0.13 -0.62 1.01 0.00 0.00 176.35 173.84 2bw2 n GLU 109 N -4.69 0.00 0.00 1.70 1.02 -1.26 -5.02 120.64 112.39 2bw2 n GLU 109 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2bw2 n GLU 109 Cb 0.53 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2bw2 n SER 110 N -0.27 0.00 0.24 1.62 7.64 -1.26 -4.96 113.62 116.62 2bw2 n SER 110 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 2bw2 n SER 110 Cb 0.00 0.14 0.60 0.00 -1.01 0.00 0.00 64.21 63.94 2bw2 n SER 110 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2bw2 h HIS 111 N 0.00 0.00 0.24 1.43 3.86 -1.97 -2.17 115.15 116.54 2bw2 h HIS 111 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2bw2 h HIS 111 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 2bw2 h HIS 111 CO 0.00 0.19 -0.45 0.52 0.86 0.00 0.00 177.93 179.05 2bw2 h MET 112 N 0.00 -0.74 -0.09 2.45 2.07 -1.98 0.21 114.93 116.85 2bw2 h MET 112 Ca -0.00 0.05 -0.17 0.00 -2.07 0.00 0.00 59.70 57.51 2bw2 h MET 112 Cb 0.50 0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.39 2bw2 h MET 112 CO 0.02 -0.49 -0.67 -0.56 1.07 0.00 0.00 176.91 176.28 2bw2 h GLN 113 N -0.76 0.39 0.00 1.72 3.07 -1.82 -2.80 115.11 114.91 2bw2 h GLN 113 Ca -0.01 -0.30 -0.07 0.00 0.09 0.00 0.00 58.65 58.37 2bw2 h GLN 113 Cb 0.74 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.34 2bw2 h GLN 113 CO -0.18 0.93 -0.32 0.87 0.09 0.00 0.00 178.83 180.22 2bw2 h LYS 114 N 0.28 0.00 -0.37 0.06 1.57 -1.21 0.17 116.57 117.07 2bw2 h LYS 114 Ca -0.02 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2bw2 h LYS 114 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2bw2 h LYS 114 CO 0.12 0.32 -0.38 -0.91 -0.57 0.00 0.00 179.45 178.02 2bw2 h ASN 115 N 0.00 0.93 0.45 0.86 2.35 -0.39 -2.59 115.58 117.19 2bw2 h ASN 115 Ca -0.00 -0.42 -0.10 0.00 -0.55 0.00 0.00 56.30 55.23 2bw2 h ASN 115 Cb 0.72 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2bw2 h ASN 115 CO 0.04 1.20 -0.45 -0.07 -1.65 0.00 0.00 177.43 176.50 2bw2 h LEU 116 N 0.72 0.01 -0.20 1.61 3.38 -1.03 -0.43 115.31 119.36 2bw2 h LEU 116 Ca 0.06 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2bw2 h LEU 116 Cb 0.96 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2bw2 h LEU 116 CO 0.09 0.46 0.03 -0.07 0.09 0.00 0.00 178.44 179.04 2bw2 h LEU 117 N 0.01 0.33 0.00 1.67 3.38 -0.45 -2.55 115.31 117.70 2bw2 h LEU 117 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2bw2 h LEU 117 Cb 0.81 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2bw2 h LEU 117 CO 0.06 0.51 -0.61 0.07 0.09 0.00 0.00 178.44 178.56 2bw2 h LYS 118 N 0.13 0.00 0.00 1.13 -0.00 -1.39 -3.41 116.57 113.04 2bw2 h LYS 118 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.71 2bw2 h LYS 118 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.55 2bw2 h LYS 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.86 2bw2 n GLY 119 N 1.22 2.06 3.76 0.07 0.00 -0.18 -4.23 105.19 107.89 2bw2 n GLY 119 Ca 0.02 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.15 2.86 -2.00 -0.61 -1.09 -1.22 -4.87 121.20 114.13 2bw2 s ILE 120 Ca 0.00 0.82 0.06 0.00 -2.23 0.00 0.00 60.65 59.29 2bw2 s ILE 120 Cb 0.00 -3.52 0.16 0.00 -1.58 0.00 0.00 42.46 37.52 2bw2 s ILE 120 CO 0.00 0.17 1.13 -0.81 -1.23 0.00 0.00 174.94 174.21 2bw2 n PRO 121 N 1.39 1.43 -3.63 2.79 -0.04 -1.25 -3.73 135.00 131.96 2bw2 n PRO 121 Ca 0.02 -0.66 -0.05 0.00 -0.04 0.00 0.00 63.50 62.77 2bw2 n PRO 121 Cb 0.42 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.68 2bw2 n PRO 121 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2bw2 s PHE 122 N -1.75 -0.17 -0.07 0.54 5.36 -0.00 -4.80 117.98 117.08 2bw2 s PHE 122 Ca 0.12 0.34 -0.11 0.00 -0.96 0.00 0.00 56.93 56.32 2bw2 s PHE 122 Cb 0.06 0.47 0.02 0.00 -0.34 0.00 0.00 43.02 43.24 2bw2 s PHE 122 CO 0.08 -0.13 0.27 1.03 -1.46 0.00 0.00 175.22 175.01 2bw2 s ARG 123 N -0.71 0.42 0.19 10.12 0.52 -1.24 -4.76 118.95 123.50 2bw2 s ARG 123 Ca 0.05 0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 2bw2 s ARG 123 Cb -0.02 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.60 2bw2 s ARG 123 CO -0.07 -0.08 -0.04 0.99 0.02 0.00 0.00 175.30 176.13 2bw2 s THR 124 N -0.35 1.02 0.33 0.02 2.01 -1.26 -4.62 115.64 112.79 2bw2 s THR 124 Ca -0.05 -2.04 0.02 0.00 0.31 0.00 0.00 61.69 59.93 2bw2 s THR 124 Cb -0.03 -2.15 0.27 0.00 0.01 0.00 0.00 72.50 70.60 2bw2 s THR 124 CO 0.01 -0.49 1.97 0.07 -0.69 0.00 0.00 174.62 175.50 2bw2 h LYS 125 N 2.61 0.92 0.00 4.92 5.09 -1.98 0.76 116.57 128.89 2bw2 h LYS 125 Ca -0.37 -0.06 -0.18 0.00 0.09 0.00 0.00 60.65 60.13 2bw2 h LYS 125 Cb 1.21 -0.21 -0.02 0.00 0.10 0.00 0.00 32.23 33.31 2bw2 h LYS 125 CO 0.64 0.61 -0.85 0.00 -2.09 0.00 0.00 179.45 177.75 2bw2 h ALA 126 N 1.55 0.58 -0.00 0.07 0.00 -1.98 -2.00 119.26 117.48 2bw2 h ALA 126 Ca 0.30 -0.75 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 2bw2 h ALA 126 Cb 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2bw2 h ALA 126 CO -0.08 0.99 -0.95 0.93 0.00 0.00 0.00 179.25 180.14 2bw2 h GLU 127 N 0.04 0.46 0.18 0.00 5.08 -1.78 -0.48 114.58 118.08 2bw2 h GLU 127 Ca -0.02 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2bw2 h GLU 127 Cb 1.49 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 2bw2 h GLU 127 CO 0.12 1.14 -0.15 0.35 -1.00 0.00 0.00 179.01 179.47 2bw2 h PHE 128 N 0.26 -0.39 0.00 4.33 3.57 -0.67 -0.04 116.94 124.00 2bw2 h PHE 128 Ca -0.09 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2bw2 h PHE 128 Cb 1.59 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.48 2bw2 h PHE 128 CO 0.07 -0.23 -0.10 1.05 -2.23 0.00 0.00 178.31 176.86 2bw2 h GLU 129 N -0.35 0.00 -0.19 1.11 4.11 -1.30 0.19 114.58 118.15 2bw2 h GLU 129 Ca -0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.23 2bw2 h GLU 129 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2bw2 h GLU 129 CO -0.02 0.10 -0.63 0.22 0.07 0.00 0.00 179.01 178.75 2bw2 h ASP 130 N 0.00 0.88 0.19 3.06 3.58 -0.61 0.13 116.42 123.66 2bw2 h ASP 130 Ca -0.00 -0.60 -0.26 0.00 0.42 0.00 0.00 57.03 56.59 2bw2 h ASP 130 Cb 0.65 -0.26 0.02 0.00 1.72 0.00 0.00 39.33 41.46 2bw2 h ASP 130 CO 0.01 1.33 -1.07 1.62 -2.88 0.00 0.00 179.24 178.25 2bw2 h VAL 131 N 0.49 1.34 -0.22 2.25 3.04 -0.74 -3.18 116.25 119.22 2bw2 h VAL 131 Ca -0.03 -2.42 -0.09 0.00 -1.01 0.00 0.00 66.70 63.16 2bw2 h VAL 131 Cb 1.26 2.50 -0.01 0.00 -2.01 0.00 0.00 31.29 33.02 2bw2 h VAL 131 CO 0.13 0.73 -0.25 0.40 -1.01 0.00 0.00 177.57 177.58 2bw2 h ILE 132 N 0.29 1.26 0.00 3.17 5.03 -0.59 -0.30 117.51 126.37 2bw2 h ILE 132 Ca -0.13 -1.22 -0.05 0.00 -0.12 0.00 0.00 64.86 63.34 2bw2 h ILE 132 Cb 1.72 1.37 -0.01 0.00 -3.03 0.00 0.00 36.82 36.87 2bw2 h ILE 132 CO 0.20 0.38 -0.22 1.05 -0.68 0.00 0.00 178.15 178.89 2bw2 h GLU 133 N 0.37 0.00 0.11 2.37 4.11 -0.80 0.98 114.58 121.72 2bw2 h GLU 133 Ca 0.06 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.22 2bw2 h GLU 133 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2bw2 h GLU 133 CO 0.05 0.22 -1.22 1.25 0.07 0.00 0.00 179.01 179.37 2bw2 h HIS 134 N 0.00 0.42 -0.28 2.06 2.76 -1.30 -2.55 115.15 116.25 2bw2 h HIS 134 Ca -0.00 -0.30 -0.06 0.00 -2.20 0.00 0.00 60.37 57.81 2bw2 h HIS 134 Cb 0.62 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 2bw2 h HIS 134 CO 0.00 1.24 -0.05 0.52 -1.30 0.00 0.00 177.93 178.34 2bw2 h MET 135 N 0.06 0.53 0.00 5.26 2.86 -0.40 -2.83 114.93 120.42 2bw2 h MET 135 Ca -0.12 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2bw2 h MET 135 Cb 1.94 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.57 2bw2 h MET 135 CO 0.19 0.73 0.00 1.57 1.06 0.00 0.00 176.91 180.46 2bw2 h LYS 136 N 0.30 0.00 0.00 1.72 2.10 -0.88 0.63 116.57 120.45 2bw2 h LYS 136 Ca 0.07 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.68 2bw2 h LYS 136 Cb 0.52 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 2bw2 h LYS 136 CO 0.02 0.00 -0.23 1.15 -2.00 0.00 0.00 179.45 178.39 2bw2 h THR 137 N 0.00 0.73 0.00 0.07 2.02 -1.19 -3.26 112.91 111.27 2bw2 h THR 137 Ca 0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2bw2 h THR 137 Cb 0.49 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2bw2 h THR 137 CO 0.00 0.23 -0.53 -1.22 0.37 0.00 0.00 175.52 174.37 2bw2 n TYR 138 N -3.63 0.47 -1.32 3.16 4.01 -0.15 -4.95 117.16 114.75 2bw2 n TYR 138 Ca -0.01 0.20 -0.12 0.00 -0.16 0.00 0.00 57.90 57.81 2bw2 n TYR 138 Cb 0.36 -0.56 -0.05 0.00 -0.31 0.00 0.00 39.34 38.78 2bw2 n TYR 138 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2bw2 n SER 139 N -4.06 -3.36 0.00 7.72 2.88 0.03 -4.92 113.62 111.92 2bw2 n SER 139 Ca -0.07 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2bw2 n SER 139 Cb 0.27 -3.10 0.00 0.00 -0.75 0.00 0.00 64.21 60.64 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42