#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 3.34 0.41 0.00 1.03 -1.26 -5.03 118.70 117.20 2bw2 s GLU 2 Ca 0.00 2.02 0.07 0.00 0.03 0.00 0.00 54.97 57.09 2bw2 s GLU 2 Cb 0.00 -2.27 -0.05 0.00 -0.80 0.00 0.00 34.13 31.01 2bw2 s GLU 2 CO 0.00 -0.96 0.19 0.08 -1.33 0.00 0.00 175.26 173.23 2bw2 s VAL 3 N -1.42 2.33 -0.23 1.83 1.01 -1.26 -5.04 120.40 117.62 2bw2 s VAL 3 Ca 0.69 -1.69 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 2bw2 s VAL 3 Cb -0.35 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2bw2 s VAL 3 CO 0.41 -0.00 0.45 -1.61 0.00 0.00 0.00 175.10 174.34 2bw2 s GLU 4 N -3.91 4.12 0.27 2.72 0.41 -1.26 -4.25 118.70 116.80 2bw2 s GLU 4 Ca 0.41 0.25 0.01 0.00 -0.41 0.00 0.00 54.97 55.23 2bw2 s GLU 4 Cb 0.04 -3.59 -0.01 0.00 -1.78 0.00 0.00 34.13 28.79 2bw2 s GLU 4 CO 0.23 -0.18 0.05 0.72 -0.49 0.00 0.00 175.26 175.59 2bw2 n HIS 5 N 4.95 0.34 -0.03 1.61 8.25 0.06 -5.00 115.22 125.40 2bw2 n HIS 5 Ca -0.07 -1.54 -0.03 0.00 -0.26 0.00 0.00 57.72 55.82 2bw2 n HIS 5 Cb 0.51 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.49 2bw2 n HIS 5 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bw2 n TYR 6 N -0.64 0.00 -2.83 4.41 4.02 -1.26 -4.09 117.16 116.78 2bw2 n TYR 6 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.41 2bw2 n TYR 6 Cb 0.37 -0.27 -0.04 0.00 -0.02 0.00 0.00 39.34 39.38 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 -2.14 4.55 0.95 -0.72 0.41 -1.26 -4.89 118.70 115.61 2bw2 s GLU 7 Ca -0.05 1.26 -0.11 0.00 -0.41 0.00 0.00 54.97 55.66 2bw2 s GLU 7 Cb 0.02 -3.42 0.17 0.00 -1.78 0.00 0.00 34.13 29.11 2bw2 s GLU 7 CO 0.21 0.08 1.11 -1.25 -0.49 0.00 0.00 175.26 174.92 2bw2 s PRO 8 N 0.59 0.73 -0.19 0.39 0.04 -1.26 -4.76 135.00 130.54 2bw2 s PRO 8 Ca 0.46 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.76 2bw2 s PRO 8 Cb -0.21 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.64 2bw2 s PRO 8 CO 0.25 -2.73 -0.18 -1.17 0.04 0.00 0.00 177.00 173.21 2bw2 s LEU 9 N -6.63 2.26 -0.79 -3.56 1.98 0.22 -4.84 118.68 107.33 2bw2 s LEU 9 Ca 0.66 -0.74 -0.26 0.00 -2.89 0.00 0.00 54.13 50.90 2bw2 s LEU 9 Cb -0.22 -1.46 0.03 0.00 0.66 0.00 0.00 46.19 45.20 2bw2 s LEU 9 CO 0.59 -0.03 1.35 -1.10 -1.89 0.00 0.00 176.35 175.27 2bw2 s GLN 10 N 1.28 3.23 -0.21 1.98 -0.21 -1.26 -0.92 119.66 123.55 2bw2 s GLN 10 Ca 0.03 -0.38 -0.14 0.00 0.02 0.00 0.00 55.36 54.90 2bw2 s GLN 10 Cb -0.14 -4.44 -0.04 0.00 1.00 0.00 0.00 33.01 29.39 2bw2 s GLN 10 CO -0.12 -2.21 0.31 0.08 -2.12 0.00 0.00 175.29 171.24 2bw2 s VAL 11 N 5.81 5.26 -0.57 1.09 1.01 0.60 -4.72 120.40 128.88 2bw2 s VAL 11 Ca 0.39 0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.73 2bw2 s VAL 11 Cb -0.07 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.79 2bw2 s VAL 11 CO 0.10 0.29 0.58 -2.28 0.00 0.00 0.00 175.10 173.79 2bw2 s HIS 12 N 1.17 3.18 -0.30 5.22 2.46 0.64 -0.74 115.29 126.92 2bw2 s HIS 12 Ca 0.15 -1.20 -0.11 0.00 0.47 0.00 0.00 55.06 54.37 2bw2 s HIS 12 Cb -0.14 -3.87 -0.03 0.00 -0.13 0.00 0.00 32.58 28.41 2bw2 s HIS 12 CO 0.06 -1.11 0.18 0.54 -2.47 0.00 0.00 174.74 171.94 2bw2 s VAL 13 N 1.92 4.99 -0.20 0.89 0.11 0.12 -0.48 120.40 127.76 2bw2 s VAL 13 Ca 0.06 -0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 58.76 2bw2 s VAL 13 Cb -0.27 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 2bw2 s VAL 13 CO 0.04 0.15 0.73 -1.58 -3.33 0.00 0.00 175.10 171.10 2bw2 s GLN 14 N 1.69 4.23 -0.32 1.54 0.74 0.45 -0.73 119.66 127.27 2bw2 s GLN 14 Ca 0.06 0.80 -0.07 0.00 0.05 0.00 0.00 55.36 56.20 2bw2 s GLN 14 Cb -0.16 -3.59 0.02 0.00 1.10 0.00 0.00 33.01 30.38 2bw2 s GLN 14 CO 0.09 -0.31 0.09 -0.51 -0.55 0.00 0.00 175.29 174.10 2bw2 s LEU 15 N 2.14 4.09 0.13 3.68 1.43 0.11 -0.65 118.68 129.60 2bw2 s LEU 15 Ca 0.33 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 2bw2 s LEU 15 Cb -0.16 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 2bw2 s LEU 15 CO 0.11 -0.26 0.48 -1.61 0.23 0.00 0.00 176.35 175.29 2bw2 s GLU 16 N 1.46 3.85 -0.31 1.70 2.02 0.43 -0.77 118.70 127.07 2bw2 s GLU 16 Ca 0.01 0.30 0.02 0.00 0.02 0.00 0.00 54.97 55.32 2bw2 s GLU 16 Cb -0.18 -2.92 0.08 0.00 0.10 0.00 0.00 34.13 31.21 2bw2 s GLU 16 CO 0.03 0.49 0.00 0.15 0.02 0.00 0.00 175.26 175.95 2bw2 s LYS 17 N -2.08 1.97 -0.20 1.61 -0.14 -0.55 -0.15 119.74 120.20 2bw2 s LYS 17 Ca 0.37 -1.58 -0.13 0.00 -1.36 0.00 0.00 55.97 53.27 2bw2 s LYS 17 Cb -0.14 -3.13 -0.05 0.00 -1.68 0.00 0.00 37.83 32.83 2bw2 s LYS 17 CO 0.19 -0.77 0.27 0.08 -0.76 0.00 0.00 175.35 174.37 2bw2 s VAL 18 N 1.06 5.30 0.37 3.17 1.01 -0.41 -1.91 120.40 128.99 2bw2 s VAL 18 Ca 0.01 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.52 2bw2 s VAL 18 Cb -0.20 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2bw2 s VAL 18 CO -0.05 0.34 0.33 -0.31 0.00 0.00 0.00 175.10 175.40 2bw2 s TYR 19 N 0.89 2.83 0.27 5.22 2.02 -0.97 -1.48 117.35 126.13 2bw2 s TYR 19 Ca 0.14 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.43 2bw2 s TYR 19 Cb -0.13 -1.94 0.34 0.00 -0.40 0.00 0.00 41.96 39.83 2bw2 s TYR 19 CO 0.05 0.06 1.89 -0.07 -1.57 0.00 0.00 175.55 175.91 2bw2 h LEU 20 N 1.16 0.99 -0.72 -1.29 3.38 -1.25 -3.07 115.31 114.51 2bw2 h LEU 20 Ca -0.43 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 57.61 2bw2 h LEU 20 Cb 1.26 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 2bw2 h LEU 20 CO 0.58 0.79 -0.03 -0.78 0.09 0.00 0.00 178.44 179.09 2bw2 h ASP 21 N 1.11 -0.39 0.00 -0.43 1.82 -1.78 -3.45 116.42 113.31 2bw2 h ASP 21 Ca 0.28 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 2bw2 h ASP 21 Cb 0.02 0.35 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2bw2 h ASP 21 CO -0.05 -0.18 0.00 0.61 -1.61 0.00 0.00 179.24 178.02 2bw2 n GLY 22 N -1.42 1.66 3.78 -0.78 0.00 -1.16 -4.59 105.19 102.69 2bw2 n GLY 22 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.39 5.91 -0.09 1.61 2.15 -1.26 -4.56 116.67 119.03 2bw2 s ASP 23 Ca 0.00 2.11 -0.04 0.00 0.43 0.00 0.00 52.55 55.05 2bw2 s ASP 23 Cb 0.00 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 2bw2 s ASP 23 CO 0.00 -1.09 0.20 0.54 -0.17 0.00 0.00 175.17 174.65 2bw2 s VAL 24 N -1.83 -0.17 -0.28 1.11 0.11 -1.26 -2.28 120.40 115.80 2bw2 s VAL 24 Ca 0.71 0.23 -0.28 0.00 -2.93 0.00 0.00 61.98 59.71 2bw2 s VAL 24 Cb -0.22 -0.33 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2bw2 s VAL 24 CO 0.25 0.10 1.02 -0.44 -3.33 0.00 0.00 175.10 172.69 2bw2 s SER 25 N 1.70 6.96 -0.28 3.54 0.01 -0.80 -4.84 113.70 119.98 2bw2 s SER 25 Ca -0.04 1.12 -0.18 0.00 1.31 0.00 0.00 55.95 58.16 2bw2 s SER 25 Cb -0.11 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2bw2 s SER 25 CO -0.07 -0.76 0.54 -0.63 0.41 0.00 0.00 173.24 172.73 2bw2 s ILE 26 N 3.37 5.03 0.04 1.44 -1.09 -1.26 -1.49 121.20 127.24 2bw2 s ILE 26 Ca 0.43 0.78 0.05 0.00 -2.23 0.00 0.00 60.65 59.69 2bw2 s ILE 26 Cb -0.14 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 2bw2 s ILE 26 CO 0.11 -0.01 -0.12 -0.70 -1.23 0.00 0.00 174.94 172.99 2bw2 s GLU 27 N 2.39 2.28 -0.22 2.79 2.56 0.05 -4.98 118.70 123.56 2bw2 s GLU 27 Ca 0.22 -0.88 0.02 0.00 0.00 0.00 0.00 54.97 54.32 2bw2 s GLU 27 Cb -0.15 -2.34 0.05 0.00 2.00 0.00 0.00 34.13 33.68 2bw2 s GLU 27 CO 0.10 0.56 -0.12 -1.01 -0.56 0.00 0.00 175.26 174.24 2bw2 s HIS 28 N -1.02 2.74 -0.07 5.30 3.76 -1.26 -0.71 115.29 124.04 2bw2 s HIS 28 Ca 0.17 -1.85 0.04 0.00 -0.15 0.00 0.00 55.06 53.27 2bw2 s HIS 28 Cb -0.11 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 2bw2 s HIS 28 CO 0.08 -0.80 -0.19 0.15 -0.85 0.00 0.00 174.74 173.13 2bw2 s LYS 29 N 1.29 2.67 -0.24 1.40 1.02 0.09 -5.00 119.74 120.97 2bw2 s LYS 29 Ca -0.03 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2bw2 s LYS 29 Cb -0.17 -2.31 0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2bw2 s LYS 29 CO -0.08 0.44 -0.11 -3.38 -0.92 0.00 0.00 175.35 171.29 2bw2 s HIS 30 N -0.27 3.00 0.04 3.18 -3.43 -1.25 0.13 115.29 116.69 2bw2 s HIS 30 Ca 0.00 -2.08 0.05 0.00 -0.80 0.00 0.00 55.06 52.23 2bw2 s HIS 30 Cb -0.13 -1.85 -0.02 0.00 -1.43 0.00 0.00 32.58 29.15 2bw2 s HIS 30 CO 0.03 -0.84 -0.14 -1.83 -2.00 0.00 0.00 174.74 169.95 2bw2 s GLU 31 N 1.20 0.92 -0.15 -0.38 -1.05 0.08 -4.91 118.70 114.41 2bw2 s GLU 31 Ca -0.06 -0.79 -0.17 0.00 -0.15 0.00 0.00 54.97 53.80 2bw2 s GLU 31 Cb -0.18 -0.92 -0.04 0.00 -0.44 0.00 0.00 34.13 32.54 2bw2 s GLU 31 CO -0.07 0.22 0.43 0.15 0.95 0.00 0.00 175.26 176.95 2bw2 s LYS 32 N -1.24 4.28 0.03 -4.83 1.02 -1.24 -0.29 119.74 117.47 2bw2 s LYS 32 Ca 0.01 0.33 0.06 0.00 0.02 0.00 0.00 55.97 56.39 2bw2 s LYS 32 Cb -0.08 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2bw2 s LYS 32 CO 0.01 0.11 -0.17 0.14 -0.92 0.00 0.00 175.35 174.52 2bw2 s VAL 33 N 0.81 1.39 -0.19 3.17 -7.23 -0.10 -4.79 120.40 113.47 2bw2 s VAL 33 Ca 0.23 -1.04 -0.18 0.00 -1.81 0.00 0.00 61.98 59.18 2bw2 s VAL 33 Cb -0.15 -1.22 -0.21 0.00 0.56 0.00 0.00 36.38 35.37 2bw2 s VAL 33 CO 0.08 0.15 0.24 0.49 -0.31 0.00 0.00 175.10 175.75 2bw2 n PHE 34 N 2.00 1.05 -3.81 2.82 3.72 -1.26 0.73 117.46 122.71 2bw2 n PHE 34 Ca -0.17 0.39 -0.36 0.00 -0.05 0.00 0.00 57.45 57.26 2bw2 n PHE 34 Cb 0.54 -1.11 -0.13 0.00 -0.94 0.00 0.00 39.48 37.84 2bw2 n PHE 34 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2bw2 s SER 35 N -6.92 4.88 0.49 4.37 0.01 -1.26 -0.76 113.70 114.51 2bw2 s SER 35 Ca -0.28 -0.55 0.16 0.00 1.31 0.00 0.00 55.95 56.59 2bw2 s SER 35 Cb 0.06 -1.84 1.19 0.00 0.21 0.00 0.00 66.02 65.64 2bw2 s SER 35 CO 0.63 -0.12 2.09 0.24 0.41 0.00 0.00 173.24 176.49 2bw2 h MET 36 N 8.19 0.00 -0.27 12.44 2.86 -1.87 -1.36 114.93 134.92 2bw2 h MET 36 Ca -0.35 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.26 2bw2 h MET 36 Cb 1.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2bw2 h MET 36 CO 0.60 0.08 0.04 0.22 1.06 0.00 0.00 176.91 178.90 2bw2 h ASP 37 N 0.00 0.36 0.56 1.22 3.58 -1.92 0.19 116.42 120.41 2bw2 h ASP 37 Ca -0.00 -0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.20 2bw2 h ASP 37 Cb 0.15 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2bw2 h ASP 37 CO 0.01 0.40 -0.87 -0.78 -2.88 0.00 0.00 179.24 175.11 2bw2 h ASP 38 N 0.39 0.28 -0.42 2.28 1.82 -1.67 -1.06 116.42 118.05 2bw2 h ASP 38 Ca 0.09 -0.22 -0.04 0.00 -0.39 0.00 0.00 57.03 56.47 2bw2 h ASP 38 Cb 0.20 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 2bw2 h ASP 38 CO 0.00 1.02 0.12 0.15 -1.61 0.00 0.00 179.24 178.93 2bw2 h PHE 39 N 0.12 0.68 -0.63 0.28 3.57 -0.97 0.10 116.94 120.10 2bw2 h PHE 39 Ca -0.05 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.34 2bw2 h PHE 39 Cb 1.50 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 2bw2 h PHE 39 CO 0.03 0.63 0.21 -1.49 -2.23 0.00 0.00 178.31 175.46 2bw2 h TRP 40 N 0.53 0.96 -0.17 0.41 -0.00 -0.50 -1.54 115.95 115.64 2bw2 h TRP 40 Ca 0.13 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.89 58.85 2bw2 h TRP 40 Cb 0.28 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.14 2bw2 h TRP 40 CO 0.01 0.77 -0.33 0.00 -0.00 0.00 0.00 178.44 178.89 2bw2 h ALA 41 N 1.31 1.12 -0.57 1.49 0.00 -0.88 0.22 119.26 121.95 2bw2 h ALA 41 Ca 0.21 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2bw2 h ALA 41 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2bw2 h ALA 41 CO -0.01 0.56 0.04 0.00 0.00 0.00 0.00 179.25 179.84 2bw2 h ALA 42 N 1.35 0.76 -0.26 0.00 0.00 -0.03 -3.16 119.26 117.92 2bw2 h ALA 42 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2bw2 h ALA 42 Cb 0.73 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2bw2 h ALA 42 CO 0.06 0.56 0.00 0.66 0.00 0.00 0.00 179.25 180.52 2bw2 n TYR 43 N -4.28 0.80 -0.29 0.00 4.01 -0.75 -4.66 117.16 111.99 2bw2 n TYR 43 Ca 0.02 -0.81 0.22 0.00 -0.16 0.00 0.00 57.90 57.17 2bw2 n TYR 43 Cb 0.31 -0.25 0.53 0.00 -0.31 0.00 0.00 39.34 39.61 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bw2 h ALA 44 N 1.72 2.29 -0.15 -0.72 0.00 -0.54 -0.40 119.26 121.47 2bw2 h ALA 44 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2bw2 h ALA 44 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2bw2 h ALA 44 CO 0.17 -0.65 -0.57 0.78 0.00 0.00 0.00 179.25 178.98 2bw2 h GLY 45 N 0.37 0.53 -1.79 0.00 0.00 -1.84 -3.45 103.07 96.90 2bw2 h GLY 45 Ca 0.55 -0.63 -0.52 0.00 0.00 0.00 0.00 47.33 46.72 2bw2 h GLY 45 CO -0.23 0.57 0.39 -0.98 0.00 0.00 0.00 176.54 176.29 2bw2 s TRP 46 N -3.93 2.33 -0.29 5.60 0.52 -0.16 -4.97 118.94 118.04 2bw2 s TRP 46 Ca -0.07 1.57 -0.24 0.00 0.02 0.00 0.00 56.10 57.39 2bw2 s TRP 46 Cb 0.11 -3.35 -0.00 0.00 -1.15 0.00 0.00 33.47 29.08 2bw2 s TRP 46 CO 0.83 -2.17 0.81 0.99 0.02 0.00 0.00 176.95 177.43 2bw2 s THR 47 N -2.07 4.80 -0.38 2.01 2.01 0.12 -4.84 115.64 117.29 2bw2 s THR 47 Ca 0.72 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.75 2bw2 s THR 47 Cb -0.26 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.12 2bw2 s THR 47 CO 0.42 -0.20 1.32 -0.22 -0.69 0.00 0.00 174.62 175.25 2bw2 s LEU 48 N 2.94 3.71 -0.15 4.42 1.98 -1.26 -0.88 118.68 129.43 2bw2 s LEU 48 Ca 0.33 0.93 -0.13 0.00 -2.89 0.00 0.00 54.13 52.37 2bw2 s LEU 48 Cb -0.14 -3.54 -0.23 0.00 0.66 0.00 0.00 46.19 42.93 2bw2 s LEU 48 CO 0.11 -1.26 0.31 0.58 -1.89 0.00 0.00 176.35 174.20 2bw2 h VAL 49 N 6.22 0.76 -2.61 1.68 2.07 -1.13 -3.49 116.25 119.75 2bw2 h VAL 49 Ca -0.26 -2.28 -0.03 0.00 0.82 0.00 0.00 66.70 64.95 2bw2 h VAL 49 Cb 1.10 2.39 -0.15 0.00 -1.52 0.00 0.00 31.29 33.11 2bw2 h VAL 49 CO 1.07 0.65 0.21 -1.83 0.02 0.00 0.00 177.57 177.69 2bw2 s GLU 50 N -2.48 1.19 -0.10 1.57 -1.05 -1.08 -5.02 118.70 111.73 2bw2 s GLU 50 Ca -0.25 -0.19 -0.08 0.00 -0.15 0.00 0.00 54.97 54.30 2bw2 s GLU 50 Cb 0.06 0.55 0.03 0.00 -0.44 0.00 0.00 34.13 34.34 2bw2 s GLU 50 CO 0.70 -0.47 0.26 1.14 0.95 0.00 0.00 175.26 177.84 2bw2 s GLN 51 N -2.77 0.28 0.13 -4.83 -2.07 -1.26 -0.13 119.66 109.00 2bw2 s GLN 51 Ca -0.03 0.43 0.04 0.00 -1.82 0.00 0.00 55.36 53.97 2bw2 s GLN 51 Cb -0.01 0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 31.93 2bw2 s GLN 51 CO -0.04 -0.08 -0.09 -1.59 -1.32 0.00 0.00 175.29 172.17 2bw2 s LYS 52 N 0.51 0.98 -0.41 9.60 -2.85 0.18 -5.01 119.74 122.74 2bw2 s LYS 52 Ca -0.03 -1.38 -0.27 0.00 -1.00 0.00 0.00 55.97 53.28 2bw2 s LYS 52 Cb -0.05 -0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 35.18 2bw2 s LYS 52 CO -0.03 0.06 1.99 0.21 0.10 0.00 0.00 175.35 177.68 2bw2 s LYS 53 N -3.63 2.90 0.00 1.78 2.36 -1.26 -1.96 119.74 119.93 2bw2 s LYS 53 Ca 0.14 1.31 0.00 0.00 -2.55 0.00 0.00 55.97 54.87 2bw2 s LYS 53 Cb 0.02 -4.34 0.00 0.00 -1.05 0.00 0.00 37.83 32.46 2bw2 s LYS 53 CO -0.01 -2.37 0.00 0.41 1.55 0.00 0.00 175.35 174.93 2bw2 n GLY 54 N 5.65 3.19 3.00 5.54 0.00 -1.26 -5.06 105.19 116.24 2bw2 n GLY 54 Ca 0.26 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.06 1.04 -0.02 1.61 6.14 -0.83 -0.26 117.35 124.97 2bw2 s TYR 55 Ca 0.00 -0.29 0.05 0.00 0.64 0.00 0.00 57.07 57.47 2bw2 s TYR 55 Cb 0.00 -0.76 -0.01 0.00 0.42 0.00 0.00 41.96 41.61 2bw2 s TYR 55 CO 0.00 -0.14 -0.16 0.08 0.64 0.00 0.00 175.55 175.98 2bw2 s VAL 56 N 0.32 1.27 -0.23 3.14 1.01 0.37 -0.65 120.40 125.64 2bw2 s VAL 56 Ca -0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2bw2 s VAL 56 Cb -0.10 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2bw2 s VAL 56 CO 0.01 0.36 -0.09 -0.22 0.00 0.00 0.00 175.10 175.16 2bw2 s LEU 57 N -0.26 2.89 0.15 3.92 2.96 0.82 -0.41 118.68 128.74 2bw2 s LEU 57 Ca 0.04 -0.73 0.11 0.00 -0.22 0.00 0.00 54.13 53.32 2bw2 s LEU 57 Cb -0.07 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2bw2 s LEU 57 CO -0.00 -0.08 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.34 2bw2 s PHE 58 N 1.34 2.25 0.00 5.38 0.08 0.17 -0.47 117.98 126.74 2bw2 s PHE 58 Ca 0.02 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.72 2bw2 s PHE 58 Cb -0.15 -1.18 -0.01 0.00 -0.57 0.00 0.00 43.02 41.11 2bw2 s PHE 58 CO -0.06 0.38 -0.10 -0.98 -0.10 0.00 0.00 175.22 174.36 2bw2 s ARG 59 N -2.28 0.77 -0.10 0.44 1.70 -0.06 -0.43 118.95 118.99 2bw2 s ARG 59 Ca 0.16 -0.43 0.01 0.00 -0.47 0.00 0.00 55.73 55.00 2bw2 s ARG 59 Cb -0.09 -0.74 0.02 0.00 -0.57 0.00 0.00 34.95 33.57 2bw2 s ARG 59 CO 0.07 0.20 -0.12 0.21 -1.08 0.00 0.00 175.30 174.57 2bw2 s LYS 60 N -0.47 1.88 0.13 3.89 2.47 0.78 0.16 119.74 128.60 2bw2 s LYS 60 Ca 0.02 -0.43 0.10 0.00 -1.56 0.00 0.00 55.97 54.10 2bw2 s LYS 60 Cb -0.05 -1.67 -0.04 0.00 -1.46 0.00 0.00 37.83 34.61 2bw2 s LYS 60 CO -0.00 -0.10 -0.23 1.14 0.16 0.00 0.00 175.35 176.32 2bw2 s GLN 61 N 1.10 1.31 0.38 4.03 -2.07 -1.26 -1.29 119.66 121.87 2bw2 s GLN 61 Ca -0.05 -1.32 0.06 0.00 -1.82 0.00 0.00 55.36 52.22 2bw2 s GLN 61 Cb -0.14 -1.65 -0.07 0.00 -1.09 0.00 0.00 33.01 30.05 2bw2 s GLN 61 CO -0.02 0.38 0.03 -1.64 -1.32 0.00 0.00 175.29 172.71 2bw2 s MET 62 N -2.18 1.86 -0.19 9.60 -1.94 -0.55 -4.90 119.30 120.99 2bw2 s MET 62 Ca 0.13 -2.05 0.10 0.00 -1.71 0.00 0.00 55.69 52.16 2bw2 s MET 62 Cb -0.09 -1.37 0.63 0.00 2.01 0.00 0.00 34.83 36.01 2bw2 s MET 62 CO 0.06 -0.10 1.48 -0.40 -0.01 0.00 0.00 175.02 176.05 2bw2 n ASP 63 N -0.88 4.63 -4.81 3.03 5.75 -1.26 -4.08 116.55 118.93 2bw2 n ASP 63 Ca -0.04 -2.75 -0.23 0.00 -0.01 0.00 0.00 54.79 51.76 2bw2 n ASP 63 Cb 0.67 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bw2 s ASP 64 N -0.61 5.46 0.00 -1.12 2.15 -1.26 -4.86 116.67 116.43 2bw2 s ASP 64 Ca 0.42 -0.25 0.25 0.00 0.43 0.00 0.00 52.55 53.40 2bw2 s ASP 64 Cb 0.33 -1.38 0.52 0.00 -0.30 0.00 0.00 42.92 42.09 2bw2 s ASP 64 CO 0.12 -0.02 1.42 2.30 -0.17 0.00 0.00 175.17 178.82 2bw2 n ILE 65 N -1.02 0.00 0.00 4.11 -5.35 -1.26 -1.08 119.36 114.76 2bw2 n ILE 65 Ca -0.08 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 2bw2 n ILE 65 Cb 0.57 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 2bw2 n ILE 65 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2bw2 n SER 66 N -1.22 0.00 0.12 7.28 3.41 -1.26 -4.09 113.62 117.86 2bw2 n SER 66 Ca 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.71 2bw2 n SER 66 Cb 0.34 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.00 0.23 -0.12 4.33 0.13 -2.01 -2.82 132.00 131.75 2bw2 h PRO 67 Ca 0.00 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.92 2bw2 h PRO 67 Cb 0.00 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 2bw2 h PRO 67 CO 0.00 0.38 -0.59 1.25 -0.23 0.00 0.00 178.00 178.81 2bw2 h LEU 68 N 0.22 0.45 -2.06 1.56 7.12 -2.00 -2.65 115.31 117.95 2bw2 h LEU 68 Ca 0.04 -0.25 -0.01 0.00 0.13 0.00 0.00 57.88 57.79 2bw2 h LEU 68 Cb 0.39 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.38 2bw2 h LEU 68 CO 0.02 0.94 -0.07 0.28 -0.13 0.00 0.00 178.44 179.48 2bw2 h SER 69 N 0.30 0.00 0.17 1.25 0.02 -1.71 0.18 113.55 113.76 2bw2 h SER 69 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 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 0.10 0.07 -0.02 0.29 -1.14 0.00 0.00 176.83 176.13 2bw2 n LYS 70 N -3.41 0.93 -0.08 3.45 4.01 -1.00 -0.66 118.16 121.41 2bw2 n LYS 70 Ca -0.02 -0.18 -0.08 0.00 -0.51 0.00 0.00 58.31 57.52 2bw2 n LYS 70 Cb 0.21 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.12 2bw2 n LYS 70 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2bw2 n VAL 71 N -0.88 1.03 0.00 -0.18 0.24 0.34 -4.85 118.33 114.03 2bw2 n VAL 71 Ca 0.20 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2bw2 n VAL 71 Cb 0.20 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 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 -2.59 0.00 -1.12 -1.34 5.15 0.37 -5.01 115.26 110.72 2bw2 n ASN 72 Ca -0.25 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.63 2bw2 n ASN 72 Cb 0.97 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 40.22 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bw2 n GLY 73 N 2.72 -0.02 3.32 8.20 0.00 0.16 -4.10 105.19 115.47 2bw2 n GLY 73 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.50 3.29 -0.22 1.61 1.51 -1.22 -3.35 117.35 116.47 2bw2 s TYR 74 Ca 0.01 -1.26 -0.11 0.00 -1.01 0.00 0.00 57.07 54.69 2bw2 s TYR 74 Cb -0.00 -2.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.08 2bw2 s TYR 74 CO 0.01 -0.76 0.20 0.42 -1.11 0.00 0.00 175.55 174.31 2bw2 s ILE 75 N 1.49 5.35 -0.04 2.71 1.01 -1.26 -1.13 121.20 129.33 2bw2 s ILE 75 Ca 0.02 0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.98 2bw2 s ILE 75 Cb -0.21 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.73 2bw2 s ILE 75 CO 0.04 0.36 -0.10 -0.83 0.00 0.00 0.00 174.94 174.42 2bw2 s GLY 76 N 0.83 0.59 0.00 6.18 0.00 0.54 -2.80 107.32 112.67 2bw2 s GLY 76 Ca 0.10 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.49 2bw2 s GLY 76 CO 0.03 -0.01 0.03 -1.34 0.00 0.00 0.00 173.10 171.81 2bw2 s VAL 77 N 0.34 4.32 0.52 1.40 -7.23 -0.62 -2.22 120.40 116.92 2bw2 s VAL 77 Ca -0.06 -0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2bw2 s VAL 77 Cb -0.11 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 33.89 2bw2 s VAL 77 CO 0.01 0.35 0.78 -0.44 -0.31 0.00 0.00 175.10 175.49 2bw2 s SER 78 N -1.67 5.68 0.54 4.85 0.01 -0.99 -4.50 113.70 117.62 2bw2 s SER 78 Ca 0.21 0.45 0.35 0.00 1.31 0.00 0.00 55.95 58.27 2bw2 s SER 78 Cb -0.12 -1.55 1.53 0.00 0.21 0.00 0.00 66.02 66.09 2bw2 s SER 78 CO 0.12 -0.90 1.83 -0.78 0.41 0.00 0.00 173.24 173.92 2bw2 h ASP 79 N 0.12 0.01 -0.01 2.44 3.58 -1.98 0.38 116.42 120.97 2bw2 h ASP 79 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2bw2 h ASP 79 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2bw2 h ASP 79 CO 0.58 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.54 2bw2 n ASN 80 N -4.21 0.11 -1.74 2.28 5.03 -1.26 -4.59 115.26 110.88 2bw2 n ASN 80 Ca 0.23 -2.00 -0.11 0.00 0.87 0.00 0.00 54.58 53.58 2bw2 n ASN 80 Cb 1.16 -0.04 0.03 0.00 -1.02 0.00 0.00 39.78 39.90 2bw2 n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bw2 n GLY 81 N 0.47 0.20 3.64 7.41 0.00 0.13 -2.50 105.19 114.54 2bw2 n GLY 81 Ca 0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.99 4.59 -0.03 1.61 1.01 -1.03 -1.25 120.40 122.30 2bw2 s VAL 82 Ca 0.21 1.80 -0.00 0.00 0.00 0.00 0.00 61.98 63.99 2bw2 s VAL 82 Cb -0.09 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2bw2 s VAL 82 CO 0.26 -0.36 1.73 -0.38 0.00 0.00 0.00 175.10 176.35 2bw2 n ILE 83 N 5.66 1.80 -3.46 2.22 2.08 -0.13 -2.36 119.36 125.17 2bw2 n ILE 83 Ca 0.11 -0.47 -0.32 0.00 0.56 0.00 0.00 62.75 62.64 2bw2 n ILE 83 Cb 0.47 -1.34 -0.05 0.00 -0.75 0.00 0.00 39.64 37.97 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 1.55 6.59 0.22 4.38 0.01 -0.94 -4.29 113.70 121.23 2bw2 s SER 84 Ca 0.03 0.84 -0.10 0.00 1.31 0.00 0.00 55.95 58.04 2bw2 s SER 84 Cb 0.02 -2.19 -0.07 0.00 0.21 0.00 0.00 66.02 63.99 2bw2 s SER 84 CO 0.00 -0.05 0.54 0.42 0.41 0.00 0.00 173.24 174.56 2bw2 s THR 85 N -1.80 4.93 0.10 1.44 -4.23 -1.26 -0.34 115.64 114.49 2bw2 s THR 85 Ca 0.46 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 2bw2 s THR 85 Cb -0.11 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 2bw2 s THR 85 CO 0.22 -0.05 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.83 2bw2 s PHE 86 N -1.79 0.90 -0.57 3.99 0.40 -0.28 -1.72 117.98 118.91 2bw2 s PHE 86 Ca 0.47 -0.89 -0.20 0.00 -0.60 0.00 0.00 56.93 55.71 2bw2 s PHE 86 Cb -0.11 -0.52 0.08 0.00 0.51 0.00 0.00 43.02 42.97 2bw2 s PHE 86 CO 0.21 -0.14 0.74 -1.01 0.70 0.00 0.00 175.22 175.73 2bw2 s HIS 87 N -3.51 2.94 0.00 0.36 3.76 -1.26 -4.20 115.29 113.38 2bw2 s HIS 87 Ca 0.11 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2bw2 s HIS 87 Cb 0.04 -3.90 0.00 0.00 1.11 0.00 0.00 32.58 29.83 2bw2 s HIS 87 CO -0.04 -1.27 0.00 0.41 -0.85 0.00 0.00 174.74 172.99 2bw2 n GLY 88 N 5.24 -1.61 3.67 -2.22 0.00 -1.26 -4.86 105.19 104.14 2bw2 n GLY 88 Ca -0.07 -1.44 -0.52 0.00 0.00 0.00 0.00 46.02 43.99 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 1.53 -2.28 1.61 5.12 -1.26 -4.87 116.66 116.51 2bw2 n ARG 89 Ca 0.00 0.56 -0.36 0.00 -1.93 0.00 0.00 57.85 56.12 2bw2 n ARG 89 Cb 0.00 -2.28 -0.04 0.00 -1.16 0.00 0.00 32.46 28.98 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 2.52 2.98 0.12 5.56 0.04 -1.26 -4.65 135.00 140.31 2bw2 s PRO 90 Ca 0.91 -0.34 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 2bw2 s PRO 90 Cb -0.90 -4.86 -0.04 0.00 0.04 0.00 0.00 34.50 28.74 2bw2 s PRO 90 CO 0.54 -2.70 0.05 -1.83 0.04 0.00 0.00 177.00 173.10 2bw2 s GLU 91 N 6.21 0.89 0.54 4.56 -1.05 -1.26 -4.90 118.70 123.69 2bw2 s GLU 91 Ca 0.56 -1.40 0.36 0.00 -0.15 0.00 0.00 54.97 54.34 2bw2 s GLU 91 Cb -0.06 0.24 1.76 0.00 -0.44 0.00 0.00 34.13 35.63 2bw2 s GLU 91 CO 0.04 -0.24 2.08 -1.00 0.95 0.00 0.00 175.26 177.08 2bw2 h PRO 92 N 2.90 0.00 -0.00 -4.83 0.13 -2.02 0.10 132.00 128.28 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2bw2 h PRO 92 CO 0.60 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.36 2bw2 n ALA 93 N -2.01 2.44 -3.63 -0.56 0.00 -1.26 -4.75 120.51 110.74 2bw2 n ALA 93 Ca -0.01 -0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 2bw2 n ALA 93 Cb 0.16 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.15 2bw2 n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bw2 n SER 94 N -1.37 2.37 -4.26 0.00 2.88 0.35 -5.13 113.62 108.46 2bw2 n SER 94 Ca 0.11 -2.59 -0.28 0.00 -1.33 0.00 0.00 58.87 54.78 2bw2 n SER 94 Cb 0.28 -0.13 -0.15 0.00 -0.75 0.00 0.00 64.21 63.47 2bw2 n SER 94 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2bw2 s GLU 95 N -4.08 1.69 -0.10 -1.46 -1.05 -1.26 -4.84 118.70 107.60 2bw2 s GLU 95 Ca 0.34 -0.87 -0.30 0.00 -0.15 0.00 0.00 54.97 53.99 2bw2 s GLU 95 Cb -0.03 -1.71 -0.01 0.00 -0.44 0.00 0.00 34.13 31.94 2bw2 s GLU 95 CO 0.22 0.46 1.01 -1.25 0.95 0.00 0.00 175.26 176.64 2bw2 s PRO 96 N -0.79 4.43 0.17 -4.83 0.04 -1.26 -4.27 135.00 128.49 2bw2 s PRO 96 Ca 0.09 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 2bw2 s PRO 96 Cb -0.09 -3.54 0.02 0.00 0.04 0.00 0.00 34.50 30.94 2bw2 s PRO 96 CO 0.00 -0.30 1.57 0.82 0.04 0.00 0.00 177.00 179.14 2bw2 h ILE 97 N 5.08 1.27 -1.70 0.56 2.04 -1.71 -3.47 117.51 119.57 2bw2 h ILE 97 Ca -0.32 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.22 2bw2 h ILE 97 Cb 1.15 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2bw2 h ILE 97 CO 0.85 0.46 0.00 0.00 0.00 0.00 0.00 178.15 179.46 2bw2 n GLN 98 N -4.13 0.00 -3.56 2.37 0.00 -1.26 -4.83 117.38 105.97 2bw2 n GLN 98 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.86 2bw2 n GLN 98 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.54 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 -0.13 0.75 -0.01 2.61 0.15 -1.26 -4.58 113.70 111.23 2bw2 s SER 99 Ca 0.00 0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.88 2bw2 s SER 99 Cb 0.00 0.61 -0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2bw2 s SER 99 CO 0.00 -0.28 -0.00 -0.26 1.20 0.00 0.00 173.24 173.90 2bw2 h PHE 100 N 8.29 0.00 -3.63 3.44 0.04 -1.95 -3.50 116.94 119.62 2bw2 h PHE 100 Ca -0.16 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.53 2bw2 h PHE 100 Cb 1.13 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.21 2bw2 h PHE 100 CO 0.25 0.00 -0.07 0.12 -0.60 0.00 0.00 178.31 178.01 2bw2 s PHE 101 N -1.04 0.43 0.01 -0.55 5.36 -1.26 -4.98 117.98 115.95 2bw2 s PHE 101 Ca -0.00 -0.80 0.05 0.00 -0.96 0.00 0.00 56.93 55.22 2bw2 s PHE 101 Cb 0.00 0.23 -0.02 0.00 -0.34 0.00 0.00 43.02 42.90 2bw2 s PHE 101 CO 0.00 -1.09 -0.16 -0.65 -1.46 0.00 0.00 175.22 171.87 2bw2 s GLN 102 N -3.69 1.20 0.11 10.12 -0.21 -1.25 -0.96 119.66 124.99 2bw2 s GLN 102 Ca 0.23 -0.65 -0.05 0.00 0.02 0.00 0.00 55.36 54.91 2bw2 s GLN 102 Cb -0.01 -1.19 -0.02 0.00 1.00 0.00 0.00 33.01 32.78 2bw2 s GLN 102 CO 0.11 0.32 0.12 0.96 -2.12 0.00 0.00 175.29 174.68 2bw2 s ILE 103 N -0.53 0.13 -0.29 1.08 -4.36 -0.38 -3.82 121.20 113.02 2bw2 s ILE 103 Ca 0.05 -1.59 -0.25 0.00 -0.26 0.00 0.00 60.65 58.60 2bw2 s ILE 103 Cb -0.07 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 41.95 2bw2 s ILE 103 CO 0.00 -0.60 0.89 -1.81 0.24 0.00 0.00 174.94 173.65 2bw2 s ASP 104 N -2.95 6.80 0.31 4.36 1.01 0.21 -2.69 116.67 123.72 2bw2 s ASP 104 Ca 0.14 0.89 0.15 0.00 0.71 0.00 0.00 52.55 54.44 2bw2 s ASP 104 Cb 0.06 -2.46 0.43 0.00 1.01 0.00 0.00 42.92 41.96 2bw2 s ASP 104 CO -0.05 -0.66 1.62 -0.07 0.21 0.00 0.00 175.17 176.22 2bw2 h LEU 105 N 9.55 0.00 -1.84 1.23 3.38 -1.87 -1.55 115.31 124.20 2bw2 h LEU 105 Ca -0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 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 0.93 0.50 -0.13 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 -1.92 -1.26 114.58 116.64 2bw2 h GLU 106 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2bw2 h GLU 106 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2bw2 h GLU 106 CO 0.07 0.13 -0.99 2.89 0.07 0.00 0.00 179.01 181.18 2bw2 n ARG 107 N -3.62 0.27 -0.97 1.06 1.85 -0.81 -4.90 116.66 109.54 2bw2 n ARG 107 Ca -0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.52 2bw2 n ARG 107 Cb 0.25 -1.59 0.13 0.00 -1.05 0.00 0.00 32.46 30.20 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 -3.88 2.95 0.08 2.89 1.02 -0.48 -4.97 118.68 116.30 2bw2 s LEU 108 Ca 0.04 2.04 -0.31 0.00 0.02 0.00 0.00 54.13 55.93 2bw2 s LEU 108 Cb 0.14 -4.55 -0.06 0.00 0.02 0.00 0.00 46.19 41.74 2bw2 s LEU 108 CO 0.80 -2.61 1.23 -1.61 0.02 0.00 0.00 176.35 174.17 2bw2 s GLU 109 N -4.72 4.42 0.27 1.70 2.02 -1.26 -4.92 118.70 116.21 2bw2 s GLU 109 Ca 0.65 1.83 -0.03 0.00 0.02 0.00 0.00 54.97 57.44 2bw2 s GLU 109 Cb -0.21 -3.32 0.56 0.00 0.10 0.00 0.00 34.13 31.27 2bw2 s GLU 109 CO 0.56 -0.27 1.64 0.77 0.02 0.00 0.00 175.26 177.98 2bw2 h SER 110 N 6.62 -0.22 1.48 -0.19 0.02 -1.93 -0.13 113.55 119.19 2bw2 h SER 110 Ca -0.42 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2bw2 h SER 110 Cb 1.21 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.07 2bw2 h SER 110 CO 0.81 -0.18 0.00 0.45 -1.14 0.00 0.00 176.83 176.78 2bw2 h HIS 111 N 0.14 0.00 0.28 3.45 3.86 -1.98 -2.71 115.15 118.19 2bw2 h HIS 111 Ca 0.48 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 2bw2 h HIS 111 Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 2bw2 h HIS 111 CO -0.37 0.00 -0.14 0.52 0.86 0.00 0.00 177.93 178.81 2bw2 h MET 112 N 0.00 -0.37 -0.52 2.45 2.86 -1.40 -2.52 114.93 115.43 2bw2 h MET 112 Ca 0.00 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2bw2 h MET 112 Cb 0.74 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 2bw2 h MET 112 CO 0.00 -0.05 0.32 -0.56 1.06 0.00 0.00 176.91 177.68 2bw2 h GLN 113 N -0.72 0.70 -0.96 1.72 3.07 -1.44 -2.34 115.11 115.15 2bw2 h GLN 113 Ca -0.04 -0.06 0.11 0.00 0.09 0.00 0.00 58.65 58.75 2bw2 h GLN 113 Cb 0.49 -0.15 -0.07 0.00 0.08 0.00 0.00 27.48 27.82 2bw2 h GLN 113 CO 0.06 0.50 0.61 0.87 0.09 0.00 0.00 178.83 180.97 2bw2 h LYS 114 N 0.70 0.94 -0.73 0.06 1.79 -1.51 0.21 116.57 118.02 2bw2 h LYS 114 Ca 0.19 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.54 2bw2 h LYS 114 Cb -0.03 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.38 2bw2 h LYS 114 CO -0.04 0.62 0.20 -0.91 -1.08 0.00 0.00 179.45 178.25 2bw2 h ASN 115 N 0.96 1.07 0.84 0.86 2.35 -0.97 -2.06 115.58 118.64 2bw2 h ASN 115 Ca 0.46 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 2bw2 h ASN 115 Cb 0.43 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2bw2 h ASN 115 CO -0.22 1.01 -0.42 -0.07 -1.65 0.00 0.00 177.43 176.09 2bw2 h LEU 116 N 1.09 0.00 -0.46 1.61 3.38 -0.76 -0.09 115.31 120.08 2bw2 h LEU 116 Ca 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2bw2 h LEU 116 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2bw2 h LEU 116 CO -0.00 0.42 -0.12 -0.07 0.09 0.00 0.00 178.44 178.75 2bw2 h LEU 117 N 0.00 0.91 0.00 1.67 3.38 0.04 -1.63 115.31 119.68 2bw2 h LEU 117 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2bw2 h LEU 117 Cb 0.95 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2bw2 h LEU 117 CO 0.05 1.06 -1.06 2.29 0.09 0.00 0.00 178.44 180.88 2bw2 n LYS 118 N -4.24 0.30 0.00 1.13 0.00 -1.03 -4.56 118.16 109.76 2bw2 n LYS 118 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2bw2 n LYS 118 Cb 0.39 -1.59 0.00 0.00 -0.00 0.00 0.00 35.03 33.83 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 1.36 1.62 3.71 2.58 0.00 -0.05 -4.24 105.19 110.17 2bw2 n GLY 119 Ca 0.02 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.73 3.92 -0.27 -0.61 -1.09 -1.12 -4.86 121.20 116.44 2bw2 s ILE 120 Ca 0.00 1.37 0.26 0.00 -2.23 0.00 0.00 60.65 60.06 2bw2 s ILE 120 Cb 0.00 -3.88 0.28 0.00 -1.58 0.00 0.00 42.46 37.28 2bw2 s ILE 120 CO 0.00 0.10 1.79 1.55 -1.23 0.00 0.00 174.94 177.15 2bw2 h PRO 121 N 6.83 0.00 -1.35 2.79 0.13 -1.88 -3.24 132.00 135.28 2bw2 h PRO 121 Ca -0.41 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.86 2bw2 h PRO 121 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 2bw2 h PRO 121 CO 0.82 0.00 0.70 0.12 -0.23 0.00 0.00 178.00 179.41 2bw2 s PHE 122 N -3.46 -0.24 -0.12 1.56 5.36 -1.21 -4.73 117.98 115.12 2bw2 s PHE 122 Ca 0.02 0.47 -0.11 0.00 -0.96 0.00 0.00 56.93 56.35 2bw2 s PHE 122 Cb 0.09 0.46 0.03 0.00 -0.34 0.00 0.00 43.02 43.26 2bw2 s PHE 122 CO 0.39 -0.19 0.33 1.03 -1.46 0.00 0.00 175.22 175.32 2bw2 s ARG 123 N -0.74 0.37 0.44 10.12 1.81 -1.24 -4.92 118.95 124.79 2bw2 s ARG 123 Ca 0.03 0.47 0.08 0.00 -1.72 0.00 0.00 55.73 54.59 2bw2 s ARG 123 Cb -0.02 0.16 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 2bw2 s ARG 123 CO -0.05 -0.06 0.54 0.99 -0.68 0.00 0.00 175.30 176.05 2bw2 s THR 124 N 0.27 2.75 0.21 0.02 2.01 -1.26 -4.60 115.64 115.03 2bw2 s THR 124 Ca -0.01 -1.11 -0.10 0.00 0.31 0.00 0.00 61.69 60.78 2bw2 s THR 124 Cb -0.03 -2.86 0.15 0.00 0.01 0.00 0.00 72.50 69.77 2bw2 s THR 124 CO -0.00 0.00 1.85 0.07 -0.69 0.00 0.00 174.62 175.84 2bw2 h LYS 125 N 0.69 0.83 0.00 4.92 2.10 -1.99 0.12 116.57 123.25 2bw2 h LYS 125 Ca -0.39 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.15 2bw2 h LYS 125 Cb 1.28 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 2bw2 h LYS 125 CO 0.48 0.55 -0.30 0.00 -2.00 0.00 0.00 179.45 178.18 2bw2 h ALA 126 N 1.31 0.86 0.04 0.07 0.00 -1.96 -1.66 119.26 117.92 2bw2 h ALA 126 Ca 0.29 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2bw2 h ALA 126 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2bw2 h ALA 126 CO -0.11 0.38 -1.11 0.93 0.00 0.00 0.00 179.25 179.33 2bw2 h GLU 127 N 0.00 0.08 0.31 0.00 5.08 -1.72 -1.78 114.58 116.55 2bw2 h GLU 127 Ca -0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2bw2 h GLU 127 Cb 1.07 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2bw2 h GLU 127 CO 0.04 1.04 -0.15 0.35 -1.00 0.00 0.00 179.01 179.29 2bw2 h PHE 128 N 0.02 -0.38 0.00 4.33 3.04 -0.40 -1.78 116.94 121.77 2bw2 h PHE 128 Ca -0.06 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 2bw2 h PHE 128 Cb 1.84 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 40.48 2bw2 h PHE 128 CO 0.02 -0.07 -0.07 1.05 -2.02 0.00 0.00 178.31 177.22 2bw2 h GLU 129 N -0.70 0.00 0.01 1.11 4.11 -1.37 0.53 114.58 118.26 2bw2 h GLU 129 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 2bw2 h GLU 129 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2bw2 h GLU 129 CO 0.07 0.07 -0.00 0.22 0.07 0.00 0.00 179.01 179.43 2bw2 h ASP 130 N 0.00 -0.01 -0.10 3.06 3.58 -1.17 0.22 116.42 121.99 2bw2 h ASP 130 Ca -0.00 -0.40 -0.10 0.00 0.42 0.00 0.00 57.03 56.95 2bw2 h ASP 130 Cb 0.44 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2bw2 h ASP 130 CO 0.01 0.40 -0.26 1.62 -2.88 0.00 0.00 179.24 178.13 2bw2 h VAL 131 N -0.42 1.27 -0.47 2.25 3.04 -0.95 -2.06 116.25 118.91 2bw2 h VAL 131 Ca -0.00 -1.31 -0.11 0.00 -1.01 0.00 0.00 66.70 64.27 2bw2 h VAL 131 Cb 0.41 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 2bw2 h VAL 131 CO 0.00 0.42 -0.13 0.40 -1.01 0.00 0.00 177.57 177.25 2bw2 h ILE 132 N 0.48 1.27 0.00 3.17 5.03 -0.82 -0.15 117.51 126.49 2bw2 h ILE 132 Ca 0.07 -1.26 -0.06 0.00 -0.12 0.00 0.00 64.86 63.49 2bw2 h ILE 132 Cb 0.70 1.10 -0.01 0.00 -3.03 0.00 0.00 36.82 35.58 2bw2 h ILE 132 CO 0.05 0.43 -0.26 1.05 -0.68 0.00 0.00 178.15 178.74 2bw2 h GLU 133 N 0.77 0.00 -0.14 2.37 4.11 -0.42 -0.29 114.58 120.98 2bw2 h GLU 133 Ca 0.12 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.33 2bw2 h GLU 133 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 2bw2 h GLU 133 CO 0.05 0.26 -0.77 1.25 0.07 0.00 0.00 179.01 179.87 2bw2 h HIS 134 N 0.00 0.95 -0.07 2.06 2.76 -0.96 -2.13 115.15 117.77 2bw2 h HIS 134 Ca -0.00 -0.42 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 2bw2 h HIS 134 Cb 0.56 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 2bw2 h HIS 134 CO 0.00 1.24 0.01 0.52 -1.30 0.00 0.00 177.93 178.40 2bw2 h MET 135 N 0.48 0.11 0.00 5.26 2.86 -0.26 -2.84 114.93 120.54 2bw2 h MET 135 Ca -0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2bw2 h MET 135 Cb 1.39 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.04 2bw2 h MET 135 CO 0.15 0.34 0.00 1.57 1.06 0.00 0.00 176.91 180.03 2bw2 h LYS 136 N -0.13 0.00 0.00 1.72 2.10 -1.11 -1.05 116.57 118.10 2bw2 h LYS 136 Ca 0.02 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.63 2bw2 h LYS 136 Cb 0.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2bw2 h LYS 136 CO 0.00 0.00 -0.17 1.15 -2.00 0.00 0.00 179.45 178.43 2bw2 h THR 137 N 0.00 0.68 0.00 0.07 2.02 -1.12 -3.06 112.91 111.50 2bw2 h THR 137 Ca 0.00 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.38 2bw2 h THR 137 Cb 0.44 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2bw2 h THR 137 CO 0.00 0.17 -0.46 1.88 0.37 0.00 0.00 175.52 177.48 2bw2 h TYR 138 N 0.00 0.00 -0.87 3.16 0.05 -1.23 -3.48 116.97 114.61 2bw2 h TYR 138 Ca -0.00 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.55 2bw2 h TYR 138 Cb 0.45 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.10 2bw2 h TYR 138 CO 0.00 0.59 -0.21 -1.13 -1.05 0.00 0.00 178.16 176.36 2bw2 n SER 139 N -4.61 -4.37 0.00 3.88 3.41 -1.02 -4.96 113.62 105.96 2bw2 n SER 139 Ca -0.12 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2bw2 n SER 139 Cb 0.35 -3.56 0.00 0.00 -0.26 0.00 0.00 64.21 60.74 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49