#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw2 n GLU 2 N 0.00 -2.31 -4.13 0.00 4.71 -1.26 -4.98 120.64 112.66 2bw2 n GLU 2 Ca 0.00 1.86 -0.23 0.00 -0.01 0.00 0.00 57.16 58.78 2bw2 n GLU 2 Cb 0.00 -2.71 -0.06 0.00 -1.01 0.00 0.00 31.44 27.65 2bw2 n GLU 2 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2bw2 s VAL 3 N -3.69 3.28 -0.37 2.62 -7.23 -1.26 -5.10 120.40 108.66 2bw2 s VAL 3 Ca 0.00 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 2bw2 s VAL 3 Cb 0.00 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.98 2bw2 s VAL 3 CO 0.00 -0.25 0.20 -1.83 -0.31 0.00 0.00 175.10 172.91 2bw2 s GLU 4 N -3.81 2.79 -0.10 4.82 -1.05 -1.26 -5.06 118.70 115.03 2bw2 s GLU 4 Ca 0.36 -1.10 -0.02 0.00 -0.15 0.00 0.00 54.97 54.06 2bw2 s GLU 4 Cb -0.04 -3.71 -0.03 0.00 -0.44 0.00 0.00 34.13 29.91 2bw2 s GLU 4 CO 0.22 -0.70 -0.01 -3.38 0.95 0.00 0.00 175.26 172.34 2bw2 s HIS 5 N 1.54 3.12 -0.40 4.83 -3.43 -1.26 -4.97 115.29 114.71 2bw2 s HIS 5 Ca 0.02 0.11 0.23 0.00 -0.80 0.00 0.00 55.06 54.61 2bw2 s HIS 5 Cb -0.19 -1.81 0.03 0.00 -1.43 0.00 0.00 32.58 29.18 2bw2 s HIS 5 CO 0.06 0.38 1.02 0.66 -2.00 0.00 0.00 174.74 174.86 2bw2 n TYR 6 N 2.37 0.56 -3.21 0.38 4.02 -1.26 -4.71 117.16 115.31 2bw2 n TYR 6 Ca -0.18 0.16 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 2bw2 n TYR 6 Cb 0.53 -0.69 -0.07 0.00 -0.02 0.00 0.00 39.34 39.09 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 -3.30 3.85 0.87 -0.72 2.02 -1.26 -5.07 118.70 115.09 2bw2 s GLU 7 Ca 0.01 0.11 -0.13 0.00 0.02 0.00 0.00 54.97 54.99 2bw2 s GLU 7 Cb 0.12 -3.73 0.12 0.00 0.10 0.00 0.00 34.13 30.74 2bw2 s GLU 7 CO 0.80 -0.52 1.18 -2.14 0.02 0.00 0.00 175.26 174.60 2bw2 s PRO 8 N 2.41 1.48 -0.32 0.39 0.02 -1.26 -4.91 135.00 132.82 2bw2 s PRO 8 Ca 0.21 0.10 -0.08 0.00 0.02 0.00 0.00 61.00 61.25 2bw2 s PRO 8 Cb -0.15 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.48 2bw2 s PRO 8 CO 0.12 -1.93 0.12 -1.17 -0.33 0.00 0.00 177.00 173.81 2bw2 s LEU 9 N -5.79 4.10 -0.74 -5.54 1.98 0.24 -4.83 118.68 108.10 2bw2 s LEU 9 Ca 0.64 -0.73 -0.25 0.00 -2.89 0.00 0.00 54.13 50.90 2bw2 s LEU 9 Cb -0.11 -1.94 0.05 0.00 0.66 0.00 0.00 46.19 44.85 2bw2 s LEU 9 CO 0.51 -0.23 1.17 -1.10 -1.89 0.00 0.00 176.35 174.81 2bw2 s GLN 10 N 1.54 3.21 -0.22 1.98 -0.21 -1.26 -0.57 119.66 124.12 2bw2 s GLN 10 Ca 0.03 -0.58 -0.07 0.00 0.02 0.00 0.00 55.36 54.76 2bw2 s GLN 10 Cb -0.18 -4.31 -0.03 0.00 1.00 0.00 0.00 33.01 29.49 2bw2 s GLN 10 CO 0.04 -2.02 0.05 0.08 -2.12 0.00 0.00 175.29 171.32 2bw2 s VAL 11 N 4.94 4.28 -0.45 1.09 1.01 0.65 -4.53 120.40 127.39 2bw2 s VAL 11 Ca 0.31 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 2bw2 s VAL 11 Cb -0.11 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.36 2bw2 s VAL 11 CO 0.10 0.39 0.38 -1.00 0.00 0.00 0.00 175.10 174.97 2bw2 s HIS 12 N 1.18 3.24 -0.13 5.22 3.76 0.33 -0.39 115.29 128.51 2bw2 s HIS 12 Ca 0.04 -0.80 -0.08 0.00 -0.15 0.00 0.00 55.06 54.07 2bw2 s HIS 12 Cb -0.14 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.49 2bw2 s HIS 12 CO 0.03 -0.74 0.16 0.14 -0.85 0.00 0.00 174.74 173.47 2bw2 s VAL 13 N 1.70 5.46 -0.34 -0.90 -7.23 0.90 -0.94 120.40 119.04 2bw2 s VAL 13 Ca 0.05 0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 60.36 2bw2 s VAL 13 Cb -0.22 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2bw2 s VAL 13 CO 0.08 0.59 0.19 -1.58 -0.31 0.00 0.00 175.10 174.07 2bw2 s GLN 14 N -0.79 3.18 -0.32 4.82 0.74 -0.01 -0.88 119.66 126.39 2bw2 s GLN 14 Ca 0.14 -0.84 -0.12 0.00 0.05 0.00 0.00 55.36 54.60 2bw2 s GLN 14 Cb -0.12 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 2bw2 s GLN 14 CO 0.04 -0.53 0.21 -0.51 -0.55 0.00 0.00 175.29 173.95 2bw2 s LEU 15 N 1.62 4.35 0.05 3.68 1.43 0.54 -1.25 118.68 129.09 2bw2 s LEU 15 Ca 0.04 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 2bw2 s LEU 15 Cb -0.18 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 2bw2 s LEU 15 CO 0.07 -0.20 0.28 -1.61 0.23 0.00 0.00 176.35 175.13 2bw2 s GLU 16 N 1.70 3.57 -0.21 1.70 2.02 0.35 -0.36 118.70 127.46 2bw2 s GLU 16 Ca 0.06 -0.14 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 2bw2 s GLU 16 Cb -0.17 -3.02 0.06 0.00 0.10 0.00 0.00 34.13 31.10 2bw2 s GLU 16 CO 0.10 0.60 0.01 0.15 0.02 0.00 0.00 175.26 176.14 2bw2 s LYS 17 N -2.10 0.94 -0.56 1.61 1.02 -0.57 -0.14 119.74 119.93 2bw2 s LYS 17 Ca 0.32 -0.61 -0.22 0.00 0.02 0.00 0.00 55.97 55.48 2bw2 s LYS 17 Cb -0.13 -2.25 0.06 0.00 -0.52 0.00 0.00 37.83 34.99 2bw2 s LYS 17 CO 0.20 -0.64 0.82 0.08 -0.92 0.00 0.00 175.35 174.89 2bw2 s VAL 18 N 1.71 4.57 0.86 3.17 1.01 -0.90 -2.06 120.40 128.76 2bw2 s VAL 18 Ca -0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 2bw2 s VAL 18 Cb -0.18 -4.49 0.17 0.00 0.00 0.00 0.00 36.38 31.89 2bw2 s VAL 18 CO -0.08 -1.09 1.18 -0.31 0.00 0.00 0.00 175.10 174.81 2bw2 s TYR 19 N 3.43 1.59 0.03 5.22 1.51 -1.23 -2.36 117.35 125.53 2bw2 s TYR 19 Ca 0.22 0.06 -0.21 0.00 -1.01 0.00 0.00 57.07 56.13 2bw2 s TYR 19 Cb -0.17 -3.64 -0.16 0.00 -0.11 0.00 0.00 41.96 37.89 2bw2 s TYR 19 CO 0.14 -2.25 1.31 -0.07 -1.11 0.00 0.00 175.55 173.57 2bw2 h LEU 20 N -1.17 0.35 -0.94 -1.29 3.38 -1.17 -3.31 115.31 111.17 2bw2 h LEU 20 Ca -0.41 -0.51 0.27 0.00 0.09 0.00 0.00 57.88 57.32 2bw2 h LEU 20 Cb 1.25 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 2bw2 h LEU 20 CO 0.39 0.79 0.38 -0.78 0.09 0.00 0.00 178.44 179.32 2bw2 h ASP 21 N -0.08 0.23 0.00 -0.43 3.58 -1.92 -3.46 116.42 114.35 2bw2 h ASP 21 Ca 0.01 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2bw2 h ASP 21 Cb 0.71 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2bw2 h ASP 21 CO 0.04 -0.14 0.00 0.61 -2.88 0.00 0.00 179.24 176.87 2bw2 n GLY 22 N -1.34 0.68 3.64 -0.78 0.00 -1.25 -4.64 105.19 101.50 2bw2 n GLY 22 Ca 0.26 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.78 6.42 -0.33 1.61 2.15 -1.26 -4.59 116.67 119.88 2bw2 s ASP 23 Ca 0.00 2.03 -0.14 0.00 0.43 0.00 0.00 52.55 54.87 2bw2 s ASP 23 Cb 0.00 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2bw2 s ASP 23 CO 0.00 -1.16 0.31 -0.69 -0.17 0.00 0.00 175.17 173.46 2bw2 s VAL 24 N 4.91 5.22 -0.38 1.11 1.01 -1.26 -3.46 120.40 127.55 2bw2 s VAL 24 Ca 0.77 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 2bw2 s VAL 24 Cb -0.31 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.33 2bw2 s VAL 24 CO 0.31 -0.03 1.16 -0.55 0.00 0.00 0.00 175.10 175.99 2bw2 s SER 25 N 1.73 6.74 -0.41 3.32 0.15 -0.88 -4.77 113.70 119.58 2bw2 s SER 25 Ca 0.10 0.84 -0.18 0.00 0.70 0.00 0.00 55.95 57.41 2bw2 s SER 25 Cb -0.17 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.61 2bw2 s SER 25 CO 0.11 -1.09 0.47 -0.63 1.20 0.00 0.00 173.24 173.31 2bw2 s ILE 26 N 4.18 5.04 0.10 6.45 -1.09 -1.26 -1.51 121.20 133.11 2bw2 s ILE 26 Ca 0.49 -0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.80 2bw2 s ILE 26 Cb -0.11 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2bw2 s ILE 26 CO 0.24 -0.41 -0.11 -0.70 -1.23 0.00 0.00 174.94 172.73 2bw2 s GLU 27 N 2.26 2.12 -0.18 2.79 2.56 0.51 -4.96 118.70 123.81 2bw2 s GLU 27 Ca 0.14 -1.02 0.01 0.00 0.00 0.00 0.00 54.97 54.10 2bw2 s GLU 27 Cb -0.16 -2.29 0.03 0.00 2.00 0.00 0.00 34.13 33.70 2bw2 s GLU 27 CO 0.14 0.51 -0.16 -1.01 -0.56 0.00 0.00 175.26 174.18 2bw2 s HIS 28 N -1.18 2.57 -0.13 5.30 3.76 -1.26 -0.34 115.29 124.00 2bw2 s HIS 28 Ca 0.21 -1.55 0.00 0.00 -0.15 0.00 0.00 55.06 53.57 2bw2 s HIS 28 Cb -0.11 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.82 2bw2 s HIS 28 CO 0.13 -0.76 -0.13 0.15 -0.85 0.00 0.00 174.74 173.28 2bw2 s LYS 29 N 1.36 2.10 -0.30 1.40 -0.14 -0.06 -4.99 119.74 119.10 2bw2 s LYS 29 Ca 0.03 -0.48 -0.06 0.00 -1.36 0.00 0.00 55.97 54.10 2bw2 s LYS 29 Cb -0.14 -1.95 0.02 0.00 -1.68 0.00 0.00 37.83 34.08 2bw2 s LYS 29 CO -0.11 -0.22 0.07 -3.38 -0.76 0.00 0.00 175.35 170.95 2bw2 s HIS 30 N 1.48 3.17 0.06 3.18 -3.43 -1.26 -0.07 115.29 118.42 2bw2 s HIS 30 Ca 0.04 -1.15 0.05 0.00 -0.80 0.00 0.00 55.06 53.19 2bw2 s HIS 30 Cb -0.13 -2.24 -0.03 0.00 -1.43 0.00 0.00 32.58 28.75 2bw2 s HIS 30 CO -0.09 -0.63 -0.13 -1.83 -2.00 0.00 0.00 174.74 170.06 2bw2 s GLU 31 N 1.46 0.79 -0.27 -0.38 -1.05 0.47 -4.93 118.70 114.79 2bw2 s GLU 31 Ca 0.01 -0.89 -0.12 0.00 -0.15 0.00 0.00 54.97 53.83 2bw2 s GLU 31 Cb -0.18 -0.77 -0.05 0.00 -0.44 0.00 0.00 34.13 32.70 2bw2 s GLU 31 CO 0.02 0.17 0.23 0.15 0.95 0.00 0.00 175.26 176.78 2bw2 s LYS 32 N -1.60 4.00 -0.05 -4.83 1.02 -1.24 -0.25 119.74 116.78 2bw2 s LYS 32 Ca -0.02 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.76 2bw2 s LYS 32 Cb -0.10 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 2bw2 s LYS 32 CO 0.02 -0.15 -0.03 0.08 -0.92 0.00 0.00 175.35 174.35 2bw2 s VAL 33 N 1.68 3.99 -1.66 3.17 1.01 0.27 -4.75 120.40 124.10 2bw2 s VAL 33 Ca 0.09 -0.46 0.25 0.00 0.00 0.00 0.00 61.98 61.87 2bw2 s VAL 33 Cb -0.15 -2.69 0.14 0.00 0.00 0.00 0.00 36.38 33.68 2bw2 s VAL 33 CO 0.09 0.54 1.40 0.49 0.00 0.00 0.00 175.10 177.62 2bw2 n PHE 34 N 1.96 0.00 -3.66 5.22 3.72 -1.26 0.79 117.46 124.24 2bw2 n PHE 34 Ca -0.17 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.17 2bw2 n PHE 34 Cb 0.53 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 38.89 2bw2 n PHE 34 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2bw2 s SER 35 N -2.60 -0.59 0.52 4.37 0.15 -1.26 -4.66 113.70 109.63 2bw2 s SER 35 Ca 0.20 1.20 0.17 0.00 0.70 0.00 0.00 55.95 58.22 2bw2 s SER 35 Cb 0.19 1.61 1.29 0.00 -1.71 0.00 0.00 66.02 67.40 2bw2 s SER 35 CO 0.58 -0.23 2.14 0.24 1.20 0.00 0.00 173.24 177.17 2bw2 h MET 36 N 7.97 0.00 -0.10 5.44 2.86 -1.99 -0.37 114.93 128.74 2bw2 h MET 36 Ca -0.19 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 2bw2 h MET 36 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2bw2 h MET 36 CO 0.13 0.00 -0.23 0.22 1.06 0.00 0.00 176.91 178.09 2bw2 h ASP 37 N 0.00 0.17 -0.11 1.22 3.58 -1.99 0.42 116.42 119.71 2bw2 h ASP 37 Ca 0.02 -0.04 -0.19 0.00 0.42 0.00 0.00 57.03 57.24 2bw2 h ASP 37 Cb 0.10 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2bw2 h ASP 37 CO -0.00 0.41 -0.65 -0.78 -2.88 0.00 0.00 179.24 175.34 2bw2 h ASP 38 N 0.16 0.84 -0.34 2.28 1.82 -1.50 -2.36 116.42 117.31 2bw2 h ASP 38 Ca 0.03 -0.49 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 2bw2 h ASP 38 Cb 0.50 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2bw2 h ASP 38 CO 0.03 1.27 0.19 0.15 -1.61 0.00 0.00 179.24 179.28 2bw2 h PHE 39 N 0.53 0.46 -0.67 0.28 3.57 -0.76 -0.99 116.94 119.37 2bw2 h PHE 39 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2bw2 h PHE 39 Cb 1.24 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 2bw2 h PHE 39 CO 0.07 0.36 0.21 -1.49 -2.23 0.00 0.00 178.31 175.23 2bw2 h TRP 40 N 0.43 1.04 -0.23 0.41 -0.00 -0.86 -1.48 115.95 115.27 2bw2 h TRP 40 Ca 0.12 -0.09 -0.10 0.00 -0.00 0.00 0.00 58.89 58.82 2bw2 h TRP 40 Cb 0.04 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 28.88 2bw2 h TRP 40 CO -0.03 0.83 -0.30 0.00 -0.00 0.00 0.00 178.44 178.93 2bw2 h ALA 41 N 1.25 1.07 -0.64 1.49 0.00 -1.24 0.14 119.26 121.33 2bw2 h ALA 41 Ca 0.22 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2bw2 h ALA 41 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2bw2 h ALA 41 CO -0.01 0.57 0.22 0.00 0.00 0.00 0.00 179.25 180.04 2bw2 h ALA 42 N 1.29 0.83 -0.43 0.00 0.00 -0.19 -2.99 119.26 117.78 2bw2 h ALA 42 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2bw2 h ALA 42 Cb 0.73 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2bw2 h ALA 42 CO 0.06 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.44 2bw2 n TYR 43 N -4.39 1.03 0.27 0.00 4.02 -0.75 -4.61 117.16 112.72 2bw2 n TYR 43 Ca 0.04 -0.67 0.12 0.00 -0.01 0.00 0.00 57.90 57.38 2bw2 n TYR 43 Cb 0.19 -0.21 0.66 0.00 -0.02 0.00 0.00 39.34 39.96 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 2.71 1.27 0.00 -0.72 0.00 -0.57 0.11 119.26 122.07 2bw2 h ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bw2 h ALA 44 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2bw2 h ALA 44 CO 0.17 -0.27 -1.11 0.41 0.00 0.00 0.00 179.25 178.44 2bw2 n GLY 45 N -1.24 -1.41 3.85 0.00 0.00 -1.26 -4.88 105.19 100.25 2bw2 n GLY 45 Ca -0.02 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.38 3.49 -0.27 1.61 0.52 0.39 -4.93 118.94 116.37 2bw2 s TRP 46 Ca -0.01 1.35 -0.21 0.00 0.02 0.00 0.00 56.10 57.25 2bw2 s TRP 46 Cb 0.10 -2.77 -0.01 0.00 -1.15 0.00 0.00 33.47 29.64 2bw2 s TRP 46 CO 0.80 -0.72 0.66 0.99 0.02 0.00 0.00 176.95 178.70 2bw2 s THR 47 N -3.02 4.95 -0.42 2.01 2.01 0.17 -4.87 115.64 116.47 2bw2 s THR 47 Ca 0.57 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 63.39 2bw2 s THR 47 Cb -0.11 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.43 2bw2 s THR 47 CO 0.49 -0.04 1.40 -0.22 -0.69 0.00 0.00 174.62 175.56 2bw2 s LEU 48 N 2.59 3.58 -0.20 4.42 1.98 -1.26 -1.28 118.68 128.51 2bw2 s LEU 48 Ca 0.27 0.79 -0.20 0.00 -2.89 0.00 0.00 54.13 52.10 2bw2 s LEU 48 Cb -0.15 -3.54 -0.20 0.00 0.66 0.00 0.00 46.19 42.96 2bw2 s LEU 48 CO 0.09 -1.43 0.25 0.58 -1.89 0.00 0.00 176.35 173.95 2bw2 h VAL 49 N 6.46 0.90 -2.93 1.68 2.07 -1.34 -3.49 116.25 119.59 2bw2 h VAL 49 Ca -0.27 -2.20 -0.05 0.00 0.82 0.00 0.00 66.70 65.00 2bw2 h VAL 49 Cb 1.10 2.28 -0.15 0.00 -1.52 0.00 0.00 31.29 33.00 2bw2 h VAL 49 CO 1.09 0.38 0.05 -1.83 0.02 0.00 0.00 177.57 177.29 2bw2 s GLU 50 N -2.38 1.09 -0.02 1.57 -1.05 -1.07 -5.02 118.70 111.82 2bw2 s GLU 50 Ca -0.28 -0.37 -0.03 0.00 -0.15 0.00 0.00 54.97 54.14 2bw2 s GLU 50 Cb 0.06 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 2bw2 s GLU 50 CO 0.62 -0.42 0.07 1.14 0.95 0.00 0.00 175.26 177.62 2bw2 s GLN 51 N -2.96 0.20 0.18 -4.83 -2.07 -1.26 -0.24 119.66 108.68 2bw2 s GLN 51 Ca -0.02 -0.10 -0.01 0.00 -1.82 0.00 0.00 55.36 53.41 2bw2 s GLN 51 Cb -0.00 0.08 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 2bw2 s GLN 51 CO -0.06 -0.04 0.10 -1.59 -1.32 0.00 0.00 175.29 172.38 2bw2 s LYS 52 N -0.46 1.10 -0.70 9.60 -2.85 0.38 -5.00 119.74 121.81 2bw2 s LYS 52 Ca -0.05 -1.56 -0.27 0.00 -1.00 0.00 0.00 55.97 53.09 2bw2 s LYS 52 Cb -0.03 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 2bw2 s LYS 52 CO 0.00 -0.33 1.57 0.21 0.10 0.00 0.00 175.35 176.90 2bw2 s LYS 53 N -4.11 2.93 0.00 1.78 2.36 -1.26 -2.18 119.74 119.26 2bw2 s LYS 53 Ca 0.33 0.11 0.00 0.00 -2.55 0.00 0.00 55.97 53.86 2bw2 s LYS 53 Cb 0.07 -4.34 0.00 0.00 -1.05 0.00 0.00 37.83 32.51 2bw2 s LYS 53 CO 0.08 -2.45 0.00 0.41 1.55 0.00 0.00 175.35 174.94 2bw2 n GLY 54 N 5.62 2.09 2.92 5.54 0.00 -1.26 -5.06 105.19 115.03 2bw2 n GLY 54 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.82 -0.14 -0.00 1.61 6.14 -0.93 -0.51 117.35 121.70 2bw2 s TYR 55 Ca 0.00 0.44 0.05 0.00 0.64 0.00 0.00 57.07 58.20 2bw2 s TYR 55 Cb 0.00 -0.09 -0.01 0.00 0.42 0.00 0.00 41.96 42.28 2bw2 s TYR 55 CO 0.00 -0.15 -0.16 0.08 0.64 0.00 0.00 175.55 175.95 2bw2 s VAL 56 N 1.06 1.30 -0.25 3.14 1.01 -0.11 -0.47 120.40 126.08 2bw2 s VAL 56 Ca -0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2bw2 s VAL 56 Cb -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.19 2bw2 s VAL 56 CO -0.05 0.31 -0.04 -0.22 0.00 0.00 0.00 175.10 175.09 2bw2 s LEU 57 N -0.55 3.19 0.12 3.92 2.96 0.67 -0.83 118.68 128.16 2bw2 s LEU 57 Ca 0.06 -0.74 0.10 0.00 -0.22 0.00 0.00 54.13 53.33 2bw2 s LEU 57 Cb -0.07 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2bw2 s LEU 57 CO -0.00 -0.11 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.30 2bw2 s PHE 58 N 1.38 2.19 0.03 5.38 0.08 -0.38 -0.82 117.98 125.84 2bw2 s PHE 58 Ca 0.02 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.73 2bw2 s PHE 58 Cb -0.16 -1.20 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 2bw2 s PHE 58 CO -0.04 0.30 -0.14 -0.98 -0.10 0.00 0.00 175.22 174.26 2bw2 s ARG 59 N -1.97 1.00 -0.10 0.44 1.70 -0.40 -0.50 118.95 119.12 2bw2 s ARG 59 Ca 0.12 -0.70 -0.01 0.00 -0.47 0.00 0.00 55.73 54.67 2bw2 s ARG 59 Cb -0.10 -1.00 0.03 0.00 -0.57 0.00 0.00 34.95 33.30 2bw2 s ARG 59 CO 0.05 0.26 -0.05 0.21 -1.08 0.00 0.00 175.30 174.69 2bw2 s LYS 60 N -0.95 1.20 -0.07 3.89 2.47 0.80 0.42 119.74 127.50 2bw2 s LYS 60 Ca 0.03 -0.14 0.04 0.00 -1.56 0.00 0.00 55.97 54.35 2bw2 s LYS 60 Cb -0.07 -1.39 -0.01 0.00 -1.46 0.00 0.00 37.83 34.89 2bw2 s LYS 60 CO 0.01 -0.29 -0.21 1.14 0.16 0.00 0.00 175.35 176.16 2bw2 s GLN 61 N 1.80 2.73 0.11 4.03 -2.07 -1.26 -2.11 119.66 122.89 2bw2 s GLN 61 Ca 0.05 -0.83 0.06 0.00 -1.82 0.00 0.00 55.36 52.81 2bw2 s GLN 61 Cb -0.13 -2.29 -0.04 0.00 -1.09 0.00 0.00 33.01 29.47 2bw2 s GLN 61 CO -0.07 0.37 -0.14 -1.64 -1.32 0.00 0.00 175.29 172.49 2bw2 s MET 62 N -0.12 0.98 -0.94 9.60 -1.94 -1.00 -4.92 119.30 120.96 2bw2 s MET 62 Ca -0.04 -1.19 -0.19 0.00 -1.71 0.00 0.00 55.69 52.57 2bw2 s MET 62 Cb -0.14 -0.87 0.13 0.00 2.01 0.00 0.00 34.83 35.96 2bw2 s MET 62 CO 0.04 0.17 1.14 0.34 -0.01 0.00 0.00 175.02 176.70 2bw2 s ASP 63 N -2.33 6.65 -0.10 3.03 2.15 -1.26 -4.10 116.67 120.70 2bw2 s ASP 63 Ca 0.07 -2.08 -0.33 0.00 0.43 0.00 0.00 52.55 50.64 2bw2 s ASP 63 Cb -0.06 -2.40 0.15 0.00 -0.30 0.00 0.00 42.92 40.31 2bw2 s ASP 63 CO 0.03 -1.05 1.44 -0.62 -0.17 0.00 0.00 175.17 174.79 2bw2 s ASP 64 N 3.61 -0.00 0.58 -0.34 2.15 -1.26 -5.02 116.67 116.38 2bw2 s ASP 64 Ca 0.33 -0.01 0.01 0.00 0.43 0.00 0.00 52.55 53.32 2bw2 s ASP 64 Cb -0.05 0.01 0.05 0.00 -0.30 0.00 0.00 42.92 42.63 2bw2 s ASP 64 CO -0.09 -0.02 0.81 0.27 -0.17 0.00 0.00 175.17 175.97 2bw2 s ILE 65 N -2.03 2.57 0.66 4.11 -4.36 -1.26 -0.89 121.20 120.00 2bw2 s ILE 65 Ca 0.15 -0.67 -0.11 0.00 -0.26 0.00 0.00 60.65 59.76 2bw2 s ILE 65 Cb 0.07 -2.91 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 2bw2 s ILE 65 CO -0.07 0.00 1.05 -0.94 0.24 0.00 0.00 174.94 175.22 2bw2 s SER 66 N -4.48 5.87 0.59 4.36 1.04 -1.26 -4.87 113.70 114.95 2bw2 s SER 66 Ca 0.59 1.39 0.30 0.00 0.48 0.00 0.00 55.95 58.71 2bw2 s SER 66 Cb -0.09 -2.35 1.76 0.00 0.10 0.00 0.00 66.02 65.43 2bw2 s SER 66 CO 0.39 -1.10 2.18 -0.65 0.98 0.00 0.00 173.24 175.05 2bw2 h PRO 67 N -0.48 0.00 -0.07 4.02 0.11 -1.99 -1.63 132.00 131.96 2bw2 h PRO 67 Ca -0.44 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 2bw2 h PRO 67 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2bw2 h PRO 67 CO 0.61 0.00 -0.61 1.25 -0.21 0.00 0.00 178.00 179.04 2bw2 h LEU 68 N 0.00 0.26 -1.51 2.35 7.12 -1.99 -2.16 115.31 119.38 2bw2 h LEU 68 Ca 0.04 -0.15 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 2bw2 h LEU 68 Cb 0.23 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 2bw2 h LEU 68 CO -0.00 0.81 -0.23 0.28 -0.13 0.00 0.00 178.44 179.17 2bw2 h SER 69 N 0.17 0.00 1.68 1.25 0.02 -1.65 0.14 113.55 115.15 2bw2 h SER 69 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2bw2 h SER 69 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2bw2 h SER 69 CO 0.09 0.23 -0.29 0.11 -1.14 0.00 0.00 176.83 175.83 2bw2 h LYS 70 N 0.00 0.00 0.01 3.45 1.57 -1.35 -1.86 116.57 118.39 2bw2 h LYS 70 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2bw2 h LYS 70 Cb 0.53 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 2bw2 h LYS 70 CO 0.03 0.00 -2.10 1.33 -0.57 0.00 0.00 179.45 178.14 2bw2 n VAL 71 N -2.93 1.51 0.00 0.50 0.24 -0.74 -4.86 118.33 112.05 2bw2 n VAL 71 Ca 0.03 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 2bw2 n VAL 71 Cb 0.53 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 2bw2 n VAL 71 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2bw2 n ASN 72 N -2.96 0.00 -1.34 -1.34 4.05 0.40 -5.08 115.26 108.99 2bw2 n ASN 72 Ca -0.28 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 54.72 2bw2 n ASN 72 Cb 1.10 0.00 0.02 0.00 1.23 0.00 0.00 39.78 42.12 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bw2 n GLY 73 N 3.70 0.39 3.18 8.20 0.00 -0.70 -4.22 105.19 115.74 2bw2 n GLY 73 Ca 0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.06 3.36 -0.22 1.61 1.51 -1.22 -3.57 117.35 115.75 2bw2 s TYR 74 Ca 0.02 -1.94 -0.23 0.00 -1.01 0.00 0.00 57.07 53.91 2bw2 s TYR 74 Cb -0.01 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.37 2bw2 s TYR 74 CO 0.13 -0.84 0.75 0.42 -1.11 0.00 0.00 175.55 174.90 2bw2 s ILE 75 N 1.25 4.91 -0.25 2.71 1.01 -1.26 -1.26 121.20 128.31 2bw2 s ILE 75 Ca -0.01 1.41 0.01 0.00 0.00 0.00 0.00 60.65 62.06 2bw2 s ILE 75 Cb -0.21 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.26 2bw2 s ILE 75 CO -0.01 0.00 -0.10 -0.83 0.00 0.00 0.00 174.94 174.00 2bw2 s GLY 76 N 1.31 1.61 -0.13 6.18 0.00 0.84 -3.45 107.32 113.69 2bw2 s GLY 76 Ca 0.32 -1.58 -0.02 0.00 0.00 0.00 0.00 44.72 43.45 2bw2 s GLY 76 CO 0.09 0.54 -0.07 0.14 0.00 0.00 0.00 173.10 173.80 2bw2 s VAL 77 N 1.22 3.62 0.41 1.40 1.01 -0.41 -2.34 120.40 125.31 2bw2 s VAL 77 Ca -0.03 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2bw2 s VAL 77 Cb -0.18 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2bw2 s VAL 77 CO -0.06 0.53 0.58 -0.44 0.00 0.00 0.00 175.10 175.71 2bw2 s SER 78 N 0.06 5.75 0.46 3.32 0.01 -1.01 -3.77 113.70 118.53 2bw2 s SER 78 Ca -0.02 -0.14 0.23 0.00 1.31 0.00 0.00 55.95 57.33 2bw2 s SER 78 Cb -0.14 -1.07 1.23 0.00 0.21 0.00 0.00 66.02 66.26 2bw2 s SER 78 CO 0.03 -0.69 1.86 -0.78 0.41 0.00 0.00 173.24 174.07 2bw2 h ASP 79 N 0.60 0.26 -0.05 2.44 1.82 -1.97 0.61 116.42 120.13 2bw2 h ASP 79 Ca -0.44 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 2bw2 h ASP 79 Cb 1.27 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.26 2bw2 h ASP 79 CO 0.51 0.09 0.00 0.59 -1.61 0.00 0.00 179.24 178.83 2bw2 n ASN 80 N -4.43 1.04 -1.20 2.28 3.02 -1.26 -4.29 115.26 110.42 2bw2 n ASN 80 Ca 0.20 -2.05 -0.10 0.00 -0.03 0.00 0.00 54.58 52.60 2bw2 n ASN 80 Cb 0.81 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.20 0.02 3.59 7.41 0.00 0.21 -2.97 105.19 113.65 2bw2 n GLY 81 Ca 0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.57 3.70 -0.07 1.61 1.01 -1.02 -0.30 120.40 122.77 2bw2 s VAL 82 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2bw2 s VAL 82 Cb -0.02 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.39 2bw2 s VAL 82 CO 0.05 -0.72 1.61 -0.38 0.00 0.00 0.00 175.10 175.65 2bw2 n ILE 83 N 7.17 1.79 -3.61 2.22 2.08 0.51 -2.39 119.36 127.12 2bw2 n ILE 83 Ca 0.18 -0.55 -0.30 0.00 0.56 0.00 0.00 62.75 62.64 2bw2 n ILE 83 Cb 0.48 -1.22 -0.04 0.00 -0.75 0.00 0.00 39.64 38.11 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 1.16 6.47 0.21 4.38 0.01 -0.99 -4.11 113.70 120.83 2bw2 s SER 84 Ca 0.08 0.58 -0.11 0.00 1.31 0.00 0.00 55.95 57.81 2bw2 s SER 84 Cb 0.06 -2.09 -0.07 0.00 0.21 0.00 0.00 66.02 64.13 2bw2 s SER 84 CO 0.01 -0.01 0.56 0.42 0.41 0.00 0.00 173.24 174.62 2bw2 s THR 85 N -1.78 4.89 0.25 1.44 -4.23 -1.26 -0.11 115.64 114.84 2bw2 s THR 85 Ca 0.41 0.61 0.01 0.00 -1.18 0.00 0.00 61.69 61.54 2bw2 s THR 85 Cb -0.12 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 2bw2 s THR 85 CO 0.26 0.01 0.11 -0.36 -0.54 0.00 0.00 174.62 174.10 2bw2 s PHE 86 N -1.73 1.45 -0.50 3.99 0.40 -0.39 -1.00 117.98 120.21 2bw2 s PHE 86 Ca 0.45 -1.23 -0.17 0.00 -0.60 0.00 0.00 56.93 55.37 2bw2 s PHE 86 Cb -0.12 -0.82 0.07 0.00 0.51 0.00 0.00 43.02 42.66 2bw2 s PHE 86 CO 0.20 -0.41 0.53 -1.58 0.70 0.00 0.00 175.22 174.66 2bw2 s HIS 87 N -3.84 3.14 0.00 0.36 5.65 -1.17 -4.21 115.29 115.21 2bw2 s HIS 87 Ca 0.38 -0.79 0.00 0.00 0.25 0.00 0.00 55.06 54.90 2bw2 s HIS 87 Cb 0.08 -3.45 0.00 0.00 -1.18 0.00 0.00 32.58 28.02 2bw2 s HIS 87 CO 0.13 -0.96 0.00 0.41 -0.65 0.00 0.00 174.74 173.67 2bw2 n GLY 88 N 5.20 -1.54 3.62 1.59 0.00 -1.26 -4.55 105.19 108.26 2bw2 n GLY 88 Ca -0.10 -1.42 -0.50 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 1.54 -2.11 1.61 5.12 -1.26 -4.84 116.66 116.71 2bw2 n ARG 89 Ca 0.00 0.56 -0.30 0.00 -1.93 0.00 0.00 57.85 56.18 2bw2 n ARG 89 Cb 0.00 -2.25 -0.05 0.00 -1.16 0.00 0.00 32.46 29.00 2bw2 n ARG 89 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2bw2 s PRO 90 N 0.77 2.69 0.08 5.56 0.02 -1.26 -4.63 135.00 138.22 2bw2 s PRO 90 Ca 0.83 -0.30 -0.01 0.00 0.02 0.00 0.00 61.00 61.54 2bw2 s PRO 90 Cb -0.85 -5.02 -0.04 0.00 0.02 0.00 0.00 34.50 28.61 2bw2 s PRO 90 CO 0.44 -3.17 0.01 -1.83 -0.33 0.00 0.00 177.00 172.12 2bw2 s GLU 91 N 6.77 0.72 0.37 5.54 -1.05 -1.26 -4.91 118.70 124.87 2bw2 s GLU 91 Ca 0.67 -1.27 0.27 0.00 -0.15 0.00 0.00 54.97 54.48 2bw2 s GLU 91 Cb -0.06 0.23 1.24 0.00 -0.44 0.00 0.00 34.13 35.09 2bw2 s GLU 91 CO 0.00 -0.16 1.81 -1.00 0.95 0.00 0.00 175.26 176.87 2bw2 h PRO 92 N 3.05 0.00 0.00 -4.83 0.13 -2.02 -0.01 132.00 128.32 2bw2 h PRO 92 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2bw2 h PRO 92 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2bw2 h PRO 92 CO 0.63 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.32 2bw2 n ALA 93 N -1.86 2.53 -2.56 -0.56 0.00 -1.26 -4.80 120.51 111.99 2bw2 n ALA 93 Ca 0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 2bw2 n ALA 93 Cb 0.18 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 2bw2 n ALA 93 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2bw2 s SER 94 N -3.01 6.04 -0.21 0.00 0.01 -0.02 -5.08 113.70 111.43 2bw2 s SER 94 Ca 0.13 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.18 2bw2 s SER 94 Cb 0.19 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.95 2bw2 s SER 94 CO 0.56 -0.39 0.41 -1.61 0.41 0.00 0.00 173.24 172.62 2bw2 s GLU 95 N -4.19 4.16 -0.07 12.44 2.02 -1.26 -4.85 118.70 126.96 2bw2 s GLU 95 Ca 0.43 0.21 -0.30 0.00 0.02 0.00 0.00 54.97 55.34 2bw2 s GLU 95 Cb -0.09 -3.55 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 2bw2 s GLU 95 CO 0.32 -0.07 1.12 -1.25 0.02 0.00 0.00 175.26 175.39 2bw2 s PRO 96 N 1.41 4.39 0.14 0.39 0.04 -1.26 -3.04 135.00 137.07 2bw2 s PRO 96 Ca 0.19 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.76 2bw2 s PRO 96 Cb -0.15 -3.54 -0.06 0.00 0.04 0.00 0.00 34.50 30.79 2bw2 s PRO 96 CO 0.08 -0.38 1.33 0.82 0.04 0.00 0.00 177.00 178.89 2bw2 h ILE 97 N 5.03 1.42 -1.75 0.56 2.04 -1.44 -3.48 117.51 119.90 2bw2 h ILE 97 Ca -0.33 -2.45 0.01 0.00 1.00 0.00 0.00 64.86 63.09 2bw2 h ILE 97 Cb 1.16 2.40 -0.00 0.00 -0.74 0.00 0.00 36.82 39.63 2bw2 h ILE 97 CO 0.87 0.73 0.05 0.00 0.00 0.00 0.00 178.15 179.80 2bw2 n GLN 98 N -3.74 0.07 -3.65 2.37 0.00 -1.26 -4.67 117.38 106.51 2bw2 n GLN 98 Ca -0.06 -0.16 -0.18 0.00 0.00 0.00 0.00 57.00 56.60 2bw2 n GLN 98 Cb 0.82 0.22 -0.16 0.00 0.00 0.00 0.00 30.24 31.12 2bw2 n GLN 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2bw2 s SER 99 N -1.24 0.92 -0.01 2.61 1.04 -1.26 -4.37 113.70 111.39 2bw2 s SER 99 Ca 0.02 0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.67 2bw2 s SER 99 Cb -0.00 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 2bw2 s SER 99 CO 0.01 -0.26 -0.01 -0.26 0.98 0.00 0.00 173.24 173.70 2bw2 h PHE 100 N 8.37 0.00 -3.69 5.02 0.04 -1.96 -3.49 116.94 121.22 2bw2 h PHE 100 Ca -0.13 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.27 2bw2 h PHE 100 Cb 1.12 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.13 2bw2 h PHE 100 CO 0.39 0.00 -0.61 -0.06 -0.60 0.00 0.00 178.31 177.43 2bw2 s PHE 101 N -1.06 1.58 -0.12 -0.55 0.40 -1.26 -4.98 117.98 111.98 2bw2 s PHE 101 Ca -0.01 -1.17 -0.00 0.00 -0.60 0.00 0.00 56.93 55.15 2bw2 s PHE 101 Cb 0.00 -0.93 0.03 0.00 0.51 0.00 0.00 43.02 42.62 2bw2 s PHE 101 CO 0.01 -0.31 -0.08 -0.65 0.70 0.00 0.00 175.22 174.89 2bw2 s GLN 102 N -4.01 1.59 0.48 0.44 -0.21 -1.23 -0.37 119.66 116.35 2bw2 s GLN 102 Ca 0.38 -0.30 0.03 0.00 0.02 0.00 0.00 55.36 55.48 2bw2 s GLN 102 Cb 0.08 -1.67 -0.03 0.00 1.00 0.00 0.00 33.01 32.39 2bw2 s GLN 102 CO 0.14 -0.28 0.01 0.96 -2.12 0.00 0.00 175.29 174.00 2bw2 s ILE 103 N 1.68 1.33 -0.52 1.08 -4.36 0.59 -4.77 121.20 116.24 2bw2 s ILE 103 Ca 0.05 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 2bw2 s ILE 103 Cb -0.13 -2.37 0.07 0.00 1.25 0.00 0.00 42.46 41.28 2bw2 s ILE 103 CO -0.08 0.00 0.59 -1.81 0.24 0.00 0.00 174.94 173.87 2bw2 s ASP 104 N -3.82 6.20 0.37 4.36 1.01 -0.53 -2.60 116.67 121.65 2bw2 s ASP 104 Ca 0.14 -1.14 0.15 0.00 0.71 0.00 0.00 52.55 52.41 2bw2 s ASP 104 Cb 0.04 -2.27 0.74 0.00 1.01 0.00 0.00 42.92 42.44 2bw2 s ASP 104 CO 0.07 -0.89 1.80 -0.07 0.21 0.00 0.00 175.17 176.30 2bw2 h LEU 105 N 9.53 0.00 -2.24 1.23 3.38 -1.87 -0.49 115.31 124.85 2bw2 h LEU 105 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2bw2 h LEU 105 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2bw2 h LEU 105 CO 0.98 0.38 -0.06 1.05 0.09 0.00 0.00 178.44 180.88 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.89 -1.53 114.58 116.41 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 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2bw2 h GLU 106 CO 0.05 0.06 -1.06 2.89 0.07 0.00 0.00 179.01 181.02 2bw2 n ARG 107 N -3.60 0.41 -0.76 1.06 1.85 -0.23 -4.92 116.66 110.46 2bw2 n ARG 107 Ca -0.02 0.02 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2bw2 n ARG 107 Cb 0.16 -1.66 0.15 0.00 -1.05 0.00 0.00 32.46 30.06 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 -2.19 2.04 0.00 2.89 7.99 -0.58 -4.98 117.00 122.17 2bw2 n LEU 108 Ca 0.01 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.41 2bw2 n LEU 108 Cb 0.48 -1.38 0.00 0.00 -0.11 0.00 0.00 43.42 42.41 2bw2 n LEU 108 CO 0.40 -2.70 0.39 -0.62 -1.51 0.00 0.00 177.39 173.36 2bw2 n GLU 109 N -3.18 0.00 0.00 3.23 -0.58 -1.26 -4.99 120.64 113.86 2bw2 n GLU 109 Ca 0.10 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 2bw2 n GLU 109 Cb 0.52 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2bw2 n SER 110 N -1.45 0.00 0.27 1.62 2.88 -1.26 -4.97 113.62 110.71 2bw2 n SER 110 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 2bw2 n SER 110 Cb 0.00 0.12 0.65 0.00 -0.75 0.00 0.00 64.21 64.22 2bw2 n SER 110 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2bw2 h HIS 111 N 0.00 0.00 -0.04 0.66 3.86 -1.99 -2.85 115.15 114.79 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 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2bw2 h HIS 111 CO 0.00 0.02 -0.02 0.52 0.86 0.00 0.00 177.93 179.32 2bw2 h MET 112 N 0.00 -0.01 -0.31 2.45 2.07 -1.97 0.15 114.93 117.31 2bw2 h MET 112 Ca -0.00 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.55 2bw2 h MET 112 Cb 0.55 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 2bw2 h MET 112 CO 0.00 -0.01 -0.16 -0.56 1.07 0.00 0.00 176.91 177.26 2bw2 h GLN 113 N -0.01 0.54 -0.30 1.72 3.07 -1.86 -2.49 115.11 115.78 2bw2 h GLN 113 Ca 0.02 -0.17 -0.07 0.00 0.09 0.00 0.00 58.65 58.52 2bw2 h GLN 113 Cb 0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 2bw2 h GLN 113 CO -0.05 0.68 -0.13 0.87 0.09 0.00 0.00 178.83 180.29 2bw2 h LYS 114 N 0.49 0.51 -0.34 0.06 1.79 -1.42 0.01 116.57 117.68 2bw2 h LYS 114 Ca 0.08 -0.15 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 2bw2 h LYS 114 Cb 0.56 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2bw2 h LYS 114 CO 0.04 0.64 -0.31 -2.95 -1.08 0.00 0.00 179.45 175.78 2bw2 h ASN 115 N 0.47 0.77 0.48 0.86 7.08 -0.28 -2.21 115.58 122.76 2bw2 h ASN 115 Ca 0.09 -0.31 -0.13 0.00 -3.08 0.00 0.00 56.30 52.86 2bw2 h ASN 115 Cb 0.51 -0.21 -0.02 0.00 -2.08 0.00 0.00 38.32 36.52 2bw2 h ASN 115 CO 0.03 1.03 -0.57 -0.07 -2.08 0.00 0.00 177.43 175.77 2bw2 h LEU 116 N 0.63 0.11 -0.83 6.14 3.38 -1.16 -0.12 115.31 123.46 2bw2 h LEU 116 Ca 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2bw2 h LEU 116 Cb 0.84 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2bw2 h LEU 116 CO 0.07 0.65 0.38 -0.07 0.09 0.00 0.00 178.44 179.56 2bw2 h LEU 117 N 0.07 1.10 -0.81 1.67 3.38 -0.41 -1.01 115.31 119.31 2bw2 h LEU 117 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2bw2 h LEU 117 Cb 1.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2bw2 h LEU 117 CO 0.08 0.94 -0.44 2.29 0.09 0.00 0.00 178.44 181.39 2bw2 n LYS 118 N -4.31 1.04 0.00 1.13 -0.00 -0.95 -4.16 118.16 110.91 2bw2 n LYS 118 Ca 0.08 -0.81 0.00 0.00 -0.00 0.00 0.00 58.31 57.58 2bw2 n LYS 118 Cb 0.15 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 33.70 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 1.40 -0.59 3.77 2.58 0.00 -0.07 -4.52 105.19 107.78 2bw2 n GLY 119 Ca 0.10 -1.51 -0.37 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 -3.11 5.17 -2.07 -0.61 -1.09 -1.22 -4.76 121.20 113.51 2bw2 s ILE 120 Ca 0.00 0.78 0.13 0.00 -2.23 0.00 0.00 60.65 59.33 2bw2 s ILE 120 Cb 0.00 -3.71 0.33 0.00 -1.58 0.00 0.00 42.46 37.50 2bw2 s ILE 120 CO 0.00 0.45 1.33 -0.81 -1.23 0.00 0.00 174.94 174.68 2bw2 n PRO 121 N 2.87 1.72 -3.64 2.79 -0.04 -1.26 -3.43 135.00 134.01 2bw2 n PRO 121 Ca -0.11 -1.11 -0.06 0.00 -0.04 0.00 0.00 63.50 62.17 2bw2 n PRO 121 Cb 0.52 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.64 -0.72 -0.18 0.54 5.36 -1.23 -4.84 117.98 115.26 2bw2 s PHE 122 Ca 0.24 1.53 -0.14 0.00 -0.96 0.00 0.00 56.93 57.60 2bw2 s PHE 122 Cb 0.13 0.43 0.05 0.00 -0.34 0.00 0.00 43.02 43.29 2bw2 s PHE 122 CO 0.18 -0.36 0.47 0.50 -1.46 0.00 0.00 175.22 174.55 2bw2 s ARG 123 N 1.11 0.52 0.51 10.12 6.06 -1.26 -4.97 118.95 131.04 2bw2 s ARG 123 Ca -0.06 0.73 0.05 0.00 -2.50 0.00 0.00 55.73 53.94 2bw2 s ARG 123 Cb -0.04 0.18 0.00 0.00 0.06 0.00 0.00 34.95 35.15 2bw2 s ARG 123 CO -0.13 -0.10 0.24 0.99 -2.50 0.00 0.00 175.30 173.80 2bw2 s THR 124 N 0.64 1.64 0.19 4.11 2.01 -1.26 -4.72 115.64 118.26 2bw2 s THR 124 Ca -0.03 -1.68 -0.05 0.00 0.31 0.00 0.00 61.69 60.23 2bw2 s THR 124 Cb -0.05 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.14 2bw2 s THR 124 CO -0.04 0.00 1.57 0.07 -0.69 0.00 0.00 174.62 175.53 2bw2 h LYS 125 N 1.07 0.77 0.00 4.92 5.09 -1.99 0.45 116.57 126.88 2bw2 h LYS 125 Ca -0.40 -0.36 -0.14 0.00 0.09 0.00 0.00 60.65 59.84 2bw2 h LYS 125 Cb 1.30 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 33.60 2bw2 h LYS 125 CO 0.65 0.98 -0.65 0.00 -2.09 0.00 0.00 179.45 178.33 2bw2 h ALA 126 N 0.99 0.58 -0.09 0.07 0.00 -1.99 -2.68 119.26 116.13 2bw2 h ALA 126 Ca 0.07 -0.60 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 2bw2 h ALA 126 Cb 0.85 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2bw2 h ALA 126 CO 0.07 0.82 -0.75 0.93 0.00 0.00 0.00 179.25 180.32 2bw2 h GLU 127 N 0.00 0.47 0.50 0.00 5.08 -1.90 -2.13 114.58 116.59 2bw2 h GLU 127 Ca -0.01 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2bw2 h GLU 127 Cb 1.50 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2bw2 h GLU 127 CO 0.09 1.02 -0.24 0.35 -1.00 0.00 0.00 179.01 179.23 2bw2 h PHE 128 N 0.32 -0.62 0.00 4.33 3.04 -0.70 0.11 116.94 123.42 2bw2 h PHE 128 Ca -0.04 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 2bw2 h PHE 128 Cb 1.33 0.21 -0.00 0.00 2.56 0.00 0.00 35.95 40.05 2bw2 h PHE 128 CO 0.05 -0.37 -0.10 1.05 -2.02 0.00 0.00 178.31 176.92 2bw2 h GLU 129 N -0.70 0.00 -0.02 1.11 4.11 -1.50 0.79 114.58 118.37 2bw2 h GLU 129 Ca -0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2bw2 h GLU 129 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2bw2 h GLU 129 CO 0.11 0.10 -0.02 0.22 0.07 0.00 0.00 179.01 179.48 2bw2 h ASP 130 N 0.00 0.05 0.14 3.06 1.82 -0.88 0.14 116.42 120.76 2bw2 h ASP 130 Ca -0.00 -0.53 -0.10 0.00 -0.39 0.00 0.00 57.03 56.01 2bw2 h ASP 130 Cb 0.25 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2bw2 h ASP 130 CO 0.01 0.58 -0.35 1.62 -1.61 0.00 0.00 179.24 179.49 2bw2 h VAL 131 N -0.47 1.28 -0.35 2.25 3.04 -0.64 -2.46 116.25 118.91 2bw2 h VAL 131 Ca 0.00 -1.38 -0.15 0.00 -1.01 0.00 0.00 66.70 64.16 2bw2 h VAL 131 Cb 0.56 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 2bw2 h VAL 131 CO 0.01 0.42 -0.39 0.40 -1.01 0.00 0.00 177.57 177.00 2bw2 h ILE 132 N 0.26 1.28 0.00 3.17 5.03 -0.78 -0.52 117.51 125.94 2bw2 h ILE 132 Ca 0.03 -1.56 -0.06 0.00 -0.12 0.00 0.00 64.86 63.15 2bw2 h ILE 132 Cb 0.74 1.42 -0.01 0.00 -3.03 0.00 0.00 36.82 35.94 2bw2 h ILE 132 CO 0.06 0.51 -0.31 1.05 -0.68 0.00 0.00 178.15 178.78 2bw2 h GLU 133 N 0.68 0.00 0.56 2.37 4.11 -0.49 0.38 114.58 122.18 2bw2 h GLU 133 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.46 2bw2 h GLU 133 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 2bw2 h GLU 133 CO 0.09 0.31 -0.27 0.45 0.07 0.00 0.00 179.01 179.66 2bw2 h HIS 134 N 0.00 -0.69 -0.86 2.06 3.86 -1.22 -3.13 115.15 115.17 2bw2 h HIS 134 Ca -0.00 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.33 2bw2 h HIS 134 Cb 0.56 0.23 -0.09 0.00 1.06 0.00 0.00 27.41 29.17 2bw2 h HIS 134 CO 0.00 -0.36 0.46 0.52 0.86 0.00 0.00 177.93 179.41 2bw2 h MET 135 N -0.99 0.66 0.00 2.45 2.86 -0.26 0.08 114.93 119.72 2bw2 h MET 135 Ca -0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2bw2 h MET 135 Cb 0.64 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2bw2 h MET 135 CO 0.13 0.43 0.00 1.57 1.06 0.00 0.00 176.91 180.10 2bw2 h LYS 136 N 0.67 0.00 0.00 1.72 2.10 -1.01 0.18 116.57 120.23 2bw2 h LYS 136 Ca 0.46 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.99 2bw2 h LYS 136 Cb 0.60 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 2bw2 h LYS 136 CO -0.34 0.00 -0.98 0.00 -2.00 0.00 0.00 179.45 176.14 2bw2 h THR 137 N 0.00 0.56 -0.01 0.07 1.03 -0.94 -3.23 112.91 110.39 2bw2 h THR 137 Ca 0.00 -1.93 0.00 0.00 -0.01 0.00 0.00 66.41 64.47 2bw2 h THR 137 Cb 0.39 2.12 0.00 0.00 -1.07 0.00 0.00 68.15 69.59 2bw2 h THR 137 CO 0.00 0.32 -0.06 -1.22 -0.01 0.00 0.00 175.52 174.55 2bw2 n TYR 138 N -3.00 0.00 0.45 0.00 4.01 -0.13 -4.01 117.16 114.48 2bw2 n TYR 138 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2bw2 n TYR 138 Cb 0.76 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 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 -0.73 0.96 0.00 7.72 7.64 -0.19 -1.46 113.62 127.58 2bw2 n SER 139 Ca 0.18 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2bw2 n SER 139 Cb 0.25 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64