#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 1.55 0.37 0.00 8.01 -1.26 -5.14 118.70 122.24 2bw2 s GLU 2 Ca 0.00 -1.38 0.01 0.00 0.01 0.00 0.00 54.97 53.61 2bw2 s GLU 2 Cb 0.00 -1.93 -0.00 0.00 -4.31 0.00 0.00 34.13 27.88 2bw2 s GLU 2 CO 0.00 0.44 0.02 1.33 0.01 0.00 0.00 175.26 177.06 2bw2 n VAL 3 N 0.60 0.00 -2.64 2.63 0.24 -1.26 -5.07 118.33 112.83 2bw2 n VAL 3 Ca -0.15 -1.84 -0.43 0.00 -2.04 0.00 0.00 64.34 59.88 2bw2 n VAL 3 Cb 0.54 0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 2bw2 n VAL 3 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2bw2 s GLU 4 N -3.36 3.61 0.92 7.34 0.41 -1.26 -5.00 118.70 121.36 2bw2 s GLU 4 Ca 0.03 0.36 -0.14 0.00 -0.41 0.00 0.00 54.97 54.81 2bw2 s GLU 4 Cb 0.00 -3.95 0.21 0.00 -1.78 0.00 0.00 34.13 28.61 2bw2 s GLU 4 CO 0.02 -1.46 1.25 0.72 -0.49 0.00 0.00 175.26 175.30 2bw2 n HIS 5 N 7.92 -3.89 0.75 1.61 8.25 -1.26 -4.97 115.22 123.64 2bw2 n HIS 5 Ca 0.09 -1.19 0.12 0.00 -0.26 0.00 0.00 57.72 56.48 2bw2 n HIS 5 Cb 0.49 -0.96 0.14 0.00 1.12 0.00 0.00 29.99 30.78 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 -3.67 0.23 -2.41 4.41 4.02 -1.26 -4.83 117.16 113.65 2bw2 n TYR 6 Ca 0.16 0.07 -0.39 0.00 -0.01 0.00 0.00 57.90 57.73 2bw2 n TYR 6 Cb 0.56 -0.40 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 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 -3.11 4.32 0.87 -0.72 2.02 -1.26 -4.89 118.70 115.93 2bw2 s GLU 7 Ca 0.07 1.77 -0.11 0.00 0.02 0.00 0.00 54.97 56.72 2bw2 s GLU 7 Cb 0.15 -2.86 0.12 0.00 0.10 0.00 0.00 34.13 31.64 2bw2 s GLU 7 CO 0.75 -0.07 1.16 -1.25 0.02 0.00 0.00 175.26 175.87 2bw2 s PRO 8 N -1.99 1.28 -0.19 0.39 0.04 -1.26 -4.88 135.00 128.39 2bw2 s PRO 8 Ca 0.52 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 63.11 2bw2 s PRO 8 Cb -0.30 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2bw2 s PRO 8 CO 0.38 -2.45 -0.00 -1.17 0.04 0.00 0.00 177.00 173.80 2bw2 s LEU 9 N -6.27 3.28 -0.71 -3.56 1.98 0.24 -4.82 118.68 108.83 2bw2 s LEU 9 Ca 0.69 -0.18 -0.23 0.00 -2.89 0.00 0.00 54.13 51.52 2bw2 s LEU 9 Cb -0.24 -1.82 0.07 0.00 0.66 0.00 0.00 46.19 44.85 2bw2 s LEU 9 CO 0.55 0.09 1.05 -1.10 -1.89 0.00 0.00 176.35 175.05 2bw2 s GLN 10 N 0.87 3.19 -0.27 1.98 -0.21 -1.26 -0.52 119.66 123.44 2bw2 s GLN 10 Ca 0.01 -0.83 -0.13 0.00 0.02 0.00 0.00 55.36 54.43 2bw2 s GLN 10 Cb -0.14 -4.33 -0.04 0.00 1.00 0.00 0.00 33.01 29.49 2bw2 s GLN 10 CO 0.02 -1.89 0.27 0.08 -2.12 0.00 0.00 175.29 171.65 2bw2 s VAL 11 N 4.26 5.25 -0.51 1.09 1.01 0.71 -4.50 120.40 127.71 2bw2 s VAL 11 Ca 0.26 0.35 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 2bw2 s VAL 11 Cb -0.14 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.74 2bw2 s VAL 11 CO 0.08 0.22 0.49 -1.00 0.00 0.00 0.00 175.10 174.89 2bw2 s HIS 12 N 1.82 3.20 -0.27 5.22 3.76 0.61 -0.70 115.29 128.94 2bw2 s HIS 12 Ca 0.11 -1.04 -0.15 0.00 -0.15 0.00 0.00 55.06 53.83 2bw2 s HIS 12 Cb -0.16 -3.53 -0.04 0.00 1.11 0.00 0.00 32.58 29.97 2bw2 s HIS 12 CO 0.10 -0.95 0.38 0.08 -0.85 0.00 0.00 174.74 173.50 2bw2 s VAL 13 N 1.82 5.17 -0.35 -0.90 1.01 0.10 -0.37 120.40 126.86 2bw2 s VAL 13 Ca 0.05 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 2bw2 s VAL 13 Cb -0.26 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2bw2 s VAL 13 CO 0.06 0.14 0.54 -1.58 0.00 0.00 0.00 175.10 174.26 2bw2 s GLN 14 N 2.09 3.61 -0.27 2.72 0.74 0.70 -0.26 119.66 128.99 2bw2 s GLN 14 Ca 0.15 -0.14 -0.13 0.00 0.05 0.00 0.00 55.36 55.30 2bw2 s GLN 14 Cb -0.16 -3.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.09 2bw2 s GLN 14 CO 0.10 -0.67 0.26 -0.51 -0.55 0.00 0.00 175.29 173.92 2bw2 s LEU 15 N 2.45 4.04 -0.16 3.68 1.43 0.13 -0.69 118.68 129.56 2bw2 s LEU 15 Ca 0.20 0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 2bw2 s LEU 15 Cb -0.15 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2bw2 s LEU 15 CO 0.14 -0.09 0.11 -1.61 0.23 0.00 0.00 176.35 175.12 2bw2 s GLU 16 N 1.79 3.77 -0.34 1.70 2.02 0.16 -1.19 118.70 126.61 2bw2 s GLU 16 Ca 0.10 -0.23 -0.03 0.00 0.02 0.00 0.00 54.97 54.83 2bw2 s GLU 16 Cb -0.16 -3.23 0.07 0.00 0.10 0.00 0.00 34.13 30.91 2bw2 s GLU 16 CO 0.10 0.50 0.08 0.15 0.02 0.00 0.00 175.26 176.11 2bw2 s LYS 17 N -0.24 2.30 -0.84 1.61 3.01 -0.84 -0.51 119.74 124.22 2bw2 s LYS 17 Ca 0.10 -1.45 -0.24 0.00 -1.01 0.00 0.00 55.97 53.37 2bw2 s LYS 17 Cb -0.12 -3.36 0.05 0.00 -1.01 0.00 0.00 37.83 33.40 2bw2 s LYS 17 CO 0.01 -0.78 1.29 0.08 0.51 0.00 0.00 175.35 176.45 2bw2 s VAL 18 N 1.23 3.95 0.13 3.17 1.01 -1.22 -2.92 120.40 125.75 2bw2 s VAL 18 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 2bw2 s VAL 18 Cb -0.21 -4.93 -0.07 0.00 0.00 0.00 0.00 36.38 31.18 2bw2 s VAL 18 CO -0.02 -1.81 0.55 -0.31 0.00 0.00 0.00 175.10 173.52 2bw2 s TYR 19 N 5.00 3.64 -0.11 5.22 1.51 -1.26 -4.77 117.35 126.58 2bw2 s TYR 19 Ca 0.37 1.09 0.27 0.00 -1.01 0.00 0.00 57.07 57.79 2bw2 s TYR 19 Cb -0.06 -2.39 0.85 0.00 -0.11 0.00 0.00 41.96 40.25 2bw2 s TYR 19 CO 0.04 0.46 1.79 -0.07 -1.11 0.00 0.00 175.55 176.66 2bw2 h LEU 20 N 3.73 0.00 -2.00 -1.29 3.38 -0.84 -2.49 115.31 115.80 2bw2 h LEU 20 Ca -0.49 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.57 2bw2 h LEU 20 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2bw2 h LEU 20 CO 0.65 0.06 0.23 -0.78 0.09 0.00 0.00 178.44 178.69 2bw2 h ASP 21 N 0.00 0.00 0.00 -0.43 3.58 -1.93 -3.46 116.42 114.18 2bw2 h ASP 21 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2bw2 h ASP 21 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2bw2 h ASP 21 CO 0.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2bw2 n GLY 22 N -1.60 3.05 3.50 -0.78 0.00 -0.94 -4.78 105.19 103.65 2bw2 n GLY 22 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.32 6.28 -0.23 1.61 -1.08 -1.26 -4.52 116.67 116.15 2bw2 s ASP 23 Ca 0.00 -0.56 -0.22 0.00 -0.52 0.00 0.00 52.55 51.25 2bw2 s ASP 23 Cb 0.00 -2.43 -0.02 0.00 -1.46 0.00 0.00 42.92 39.01 2bw2 s ASP 23 CO 0.00 -1.31 0.69 -0.69 0.52 0.00 0.00 175.17 174.38 2bw2 s VAL 24 N 4.02 4.95 -0.43 1.11 1.01 -1.26 -4.24 120.40 125.56 2bw2 s VAL 24 Ca 0.28 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.27 2bw2 s VAL 24 Cb -0.14 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2bw2 s VAL 24 CO 0.16 0.03 1.06 -0.55 0.00 0.00 0.00 175.10 175.80 2bw2 s SER 25 N 1.34 6.67 -0.22 3.32 0.15 -1.15 -4.83 113.70 118.99 2bw2 s SER 25 Ca 0.30 0.53 -0.15 0.00 0.70 0.00 0.00 55.95 57.32 2bw2 s SER 25 Cb -0.16 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2bw2 s SER 25 CO 0.09 -1.10 0.36 -0.63 1.20 0.00 0.00 173.24 173.16 2bw2 s ILE 26 N 4.07 5.21 0.05 6.45 -1.09 -1.26 -1.99 121.20 132.64 2bw2 s ILE 26 Ca 0.44 0.61 0.06 0.00 -2.23 0.00 0.00 60.65 59.54 2bw2 s ILE 26 Cb -0.09 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 2bw2 s ILE 26 CO 0.26 0.24 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.33 2bw2 s GLU 27 N 1.45 1.21 -0.20 2.79 2.12 -0.33 -4.97 118.70 120.77 2bw2 s GLU 27 Ca 0.17 -0.89 0.01 0.00 0.36 0.00 0.00 54.97 54.62 2bw2 s GLU 27 Cb -0.15 -1.30 0.03 0.00 0.26 0.00 0.00 34.13 32.97 2bw2 s GLU 27 CO 0.08 0.33 -0.18 -1.01 -0.54 0.00 0.00 175.26 173.94 2bw2 s HIS 28 N -0.84 2.88 -0.19 5.30 3.76 -1.26 0.19 115.29 125.13 2bw2 s HIS 28 Ca 0.05 -1.76 -0.05 0.00 -0.15 0.00 0.00 55.06 53.15 2bw2 s HIS 28 Cb -0.09 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 2bw2 s HIS 28 CO 0.02 -0.81 0.01 0.15 -0.85 0.00 0.00 174.74 173.25 2bw2 s LYS 29 N 1.26 3.69 -0.36 1.40 -0.14 0.64 -4.92 119.74 121.31 2bw2 s LYS 29 Ca 0.02 -0.49 -0.08 0.00 -1.36 0.00 0.00 55.97 54.06 2bw2 s LYS 29 Cb -0.14 -3.09 0.04 0.00 -1.68 0.00 0.00 37.83 32.96 2bw2 s LYS 29 CO -0.11 0.08 0.15 -3.38 -0.76 0.00 0.00 175.35 171.33 2bw2 s HIS 30 N 0.83 3.26 -0.02 3.18 -3.43 -1.26 0.01 115.29 117.86 2bw2 s HIS 30 Ca 0.01 -1.30 0.04 0.00 -0.80 0.00 0.00 55.06 53.01 2bw2 s HIS 30 Cb -0.14 -2.40 -0.01 0.00 -1.43 0.00 0.00 32.58 28.60 2bw2 s HIS 30 CO 0.02 -0.72 -0.13 -1.83 -2.00 0.00 0.00 174.74 170.08 2bw2 s GLU 31 N 1.45 1.12 -0.29 -0.38 -1.05 0.13 -4.93 118.70 114.73 2bw2 s GLU 31 Ca -0.00 -0.46 -0.18 0.00 -0.15 0.00 0.00 54.97 54.18 2bw2 s GLU 31 Cb -0.20 -1.06 -0.02 0.00 -0.44 0.00 0.00 34.13 32.41 2bw2 s GLU 31 CO 0.04 0.26 0.53 0.15 0.95 0.00 0.00 175.26 177.18 2bw2 s LYS 32 N -0.21 3.91 0.10 -4.83 1.02 -1.23 -0.21 119.74 118.29 2bw2 s LYS 32 Ca 0.03 0.17 0.08 0.00 0.02 0.00 0.00 55.97 56.27 2bw2 s LYS 32 Cb -0.06 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 2bw2 s LYS 32 CO -0.00 -0.47 -0.17 0.14 -0.92 0.00 0.00 175.35 173.93 2bw2 s VAL 33 N 2.38 2.88 -0.05 3.17 -7.23 0.32 -4.75 120.40 117.12 2bw2 s VAL 33 Ca 0.21 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.87 2bw2 s VAL 33 Cb -0.15 -2.30 -0.29 0.00 0.56 0.00 0.00 36.38 34.19 2bw2 s VAL 33 CO 0.11 0.14 0.67 -0.26 -0.31 0.00 0.00 175.10 175.46 2bw2 h PHE 34 N 3.87 0.61 -3.23 2.82 0.04 -1.89 0.70 116.94 119.86 2bw2 h PHE 34 Ca -0.49 -0.45 -0.58 0.00 2.80 0.00 0.00 57.97 59.25 2bw2 h PHE 34 Cb 1.17 -0.02 -0.35 0.00 2.20 0.00 0.00 35.95 38.94 2bw2 h PHE 34 CO 0.59 1.61 -0.83 0.45 -0.60 0.00 0.00 178.31 179.53 2bw2 s SER 35 N -7.16 2.42 0.54 2.17 0.15 -1.26 -4.79 113.70 105.77 2bw2 s SER 35 Ca -0.15 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.32 2bw2 s SER 35 Cb 0.06 -1.06 1.51 0.00 -1.71 0.00 0.00 66.02 64.82 2bw2 s SER 35 CO 0.84 -0.02 2.16 0.24 1.20 0.00 0.00 173.24 177.67 2bw2 h MET 36 N 7.62 0.00 -1.00 5.44 2.86 -1.99 -1.74 114.93 126.12 2bw2 h MET 36 Ca -0.33 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.38 2bw2 h MET 36 Cb 1.16 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.76 2bw2 h MET 36 CO 0.49 0.05 0.65 0.22 1.06 0.00 0.00 176.91 179.37 2bw2 h ASP 37 N 0.00 1.04 -0.25 1.22 3.58 -1.99 0.10 116.42 120.12 2bw2 h ASP 37 Ca -0.00 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 2bw2 h ASP 37 Cb 0.11 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2bw2 h ASP 37 CO 0.01 0.67 -0.30 -0.78 -2.88 0.00 0.00 179.24 175.95 2bw2 h ASP 38 N 1.18 0.78 -0.48 2.28 3.58 -1.74 -1.31 116.42 120.71 2bw2 h ASP 38 Ca 0.43 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2bw2 h ASP 38 Cb 0.15 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2bw2 h ASP 38 CO -0.16 1.03 0.23 0.15 -2.88 0.00 0.00 179.24 177.60 2bw2 h PHE 39 N 0.64 0.69 -0.54 0.28 3.57 -1.07 0.42 116.94 120.94 2bw2 h PHE 39 Ca 0.07 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2bw2 h PHE 39 Cb 0.83 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2bw2 h PHE 39 CO 0.04 0.56 0.06 -1.49 -2.23 0.00 0.00 178.31 175.25 2bw2 h TRP 40 N 0.63 0.91 -0.39 0.41 -0.00 -0.51 -0.80 115.95 116.20 2bw2 h TRP 40 Ca 0.16 -0.11 -0.13 0.00 -0.00 0.00 0.00 58.89 58.81 2bw2 h TRP 40 Cb 0.13 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 29.02 2bw2 h TRP 40 CO -0.01 0.80 -0.27 0.00 -0.00 0.00 0.00 178.44 178.96 2bw2 h ALA 41 N 1.25 0.78 -0.68 1.49 0.00 -0.87 0.25 119.26 121.47 2bw2 h ALA 41 Ca 0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2bw2 h ALA 41 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2bw2 h ALA 41 CO 0.01 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.15 2bw2 h ALA 42 N 0.98 0.88 -0.35 0.00 0.00 -0.31 -2.94 119.26 117.53 2bw2 h ALA 42 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2bw2 h ALA 42 Cb 0.81 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2bw2 h ALA 42 CO 0.07 0.53 0.00 0.66 0.00 0.00 0.00 179.25 180.51 2bw2 n TYR 43 N -4.35 1.23 0.07 0.00 4.02 -0.36 -4.58 117.16 113.18 2bw2 n TYR 43 Ca 0.05 -0.82 0.20 0.00 -0.01 0.00 0.00 57.90 57.32 2bw2 n TYR 43 Cb 0.20 -0.35 0.74 0.00 -0.02 0.00 0.00 39.34 39.90 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 2.43 2.25 0.00 -0.72 0.00 -0.32 -1.03 119.26 121.87 2bw2 h ALA 44 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bw2 h ALA 44 Cb 1.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2bw2 h ALA 44 CO 0.28 -0.60 -0.41 0.78 0.00 0.00 0.00 179.25 179.30 2bw2 h GLY 45 N 0.00 0.00 -1.77 0.00 0.00 -1.83 -3.46 103.07 96.01 2bw2 h GLY 45 Ca 0.21 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.04 2bw2 h GLY 45 CO -0.00 0.00 0.30 -0.98 0.00 0.00 0.00 176.54 175.86 2bw2 s TRP 46 N -3.16 3.54 -0.33 5.60 0.52 -0.39 -4.97 118.94 119.75 2bw2 s TRP 46 Ca 0.07 1.21 -0.22 0.00 0.02 0.00 0.00 56.10 57.19 2bw2 s TRP 46 Cb 0.12 -2.62 -0.00 0.00 -1.15 0.00 0.00 33.47 29.82 2bw2 s TRP 46 CO 0.68 -0.43 0.70 0.99 0.02 0.00 0.00 176.95 178.92 2bw2 s THR 47 N -2.81 4.85 -0.38 2.01 2.01 0.97 -4.87 115.64 117.41 2bw2 s THR 47 Ca 0.54 0.90 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 2bw2 s THR 47 Cb -0.10 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2bw2 s THR 47 CO 0.42 -0.26 1.34 -0.22 -0.69 0.00 0.00 174.62 175.21 2bw2 s LEU 48 N 2.82 3.69 -0.19 4.42 1.98 -1.26 -0.98 118.68 129.15 2bw2 s LEU 48 Ca 0.28 0.90 -0.16 0.00 -2.89 0.00 0.00 54.13 52.26 2bw2 s LEU 48 Cb -0.14 -3.54 -0.20 0.00 0.66 0.00 0.00 46.19 42.96 2bw2 s LEU 48 CO 0.13 -1.29 0.19 0.52 -1.89 0.00 0.00 176.35 174.01 2bw2 n VAL 49 N 6.76 1.60 -3.52 1.68 0.31 0.16 -5.01 118.33 120.32 2bw2 n VAL 49 Ca 0.15 -0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 64.09 2bw2 n VAL 49 Cb 0.48 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 2bw2 n VAL 49 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2bw2 s GLU 50 N -2.44 1.11 -0.01 5.55 -1.05 -1.08 -5.03 118.70 115.76 2bw2 s GLU 50 Ca -0.28 -0.19 -0.07 0.00 -0.15 0.00 0.00 54.97 54.28 2bw2 s GLU 50 Cb 0.07 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 2bw2 s GLU 50 CO 0.63 -0.42 0.14 1.14 0.95 0.00 0.00 175.26 177.70 2bw2 s GLN 51 N -2.55 0.42 0.25 -4.83 -2.07 -1.26 -0.08 119.66 109.54 2bw2 s GLN 51 Ca -0.05 -0.28 -0.03 0.00 -1.82 0.00 0.00 55.36 53.18 2bw2 s GLN 51 Cb -0.01 0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 2bw2 s GLN 51 CO -0.02 -0.09 0.29 -1.59 -1.32 0.00 0.00 175.29 172.55 2bw2 s LYS 52 N -1.08 1.47 -0.66 9.60 -2.85 0.28 -5.00 119.74 121.49 2bw2 s LYS 52 Ca -0.12 -1.61 -0.27 0.00 -1.00 0.00 0.00 55.97 52.98 2bw2 s LYS 52 Cb -0.06 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.07 2bw2 s LYS 52 CO 0.01 -0.55 1.55 0.21 0.10 0.00 0.00 175.35 176.67 2bw2 s LYS 53 N -3.86 2.96 0.00 1.78 2.47 -1.26 -2.20 119.74 119.64 2bw2 s LYS 53 Ca 0.34 0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.95 2bw2 s LYS 53 Cb 0.03 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.14 2bw2 s LYS 53 CO 0.15 -2.38 0.00 0.41 0.16 0.00 0.00 175.35 173.69 2bw2 n GLY 54 N 5.51 2.05 2.79 5.54 0.00 -1.26 -5.06 105.19 114.75 2bw2 n GLY 54 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 2bw2 n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bw2 s TYR 55 N -2.15 0.03 -0.02 1.61 6.14 -0.93 -0.29 117.35 121.74 2bw2 s TYR 55 Ca 0.00 0.11 0.03 0.00 0.64 0.00 0.00 57.07 57.85 2bw2 s TYR 55 Cb 0.00 -0.20 -0.00 0.00 0.42 0.00 0.00 41.96 42.17 2bw2 s TYR 55 CO 0.00 -0.08 -0.12 0.08 0.64 0.00 0.00 175.55 176.07 2bw2 s VAL 56 N 0.90 1.00 -0.23 3.14 1.01 0.50 -0.56 120.40 126.17 2bw2 s VAL 56 Ca -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2bw2 s VAL 56 Cb -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.42 2bw2 s VAL 56 CO -0.03 0.29 -0.08 -0.22 0.00 0.00 0.00 175.10 175.07 2bw2 s LEU 57 N -0.06 2.89 0.13 3.92 2.96 0.89 -0.21 118.68 129.20 2bw2 s LEU 57 Ca 0.00 -0.66 0.09 0.00 -0.22 0.00 0.00 54.13 53.35 2bw2 s LEU 57 Cb -0.07 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2bw2 s LEU 57 CO 0.00 -0.07 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.39 2bw2 s PHE 58 N 1.38 1.93 0.04 5.38 0.08 0.13 -0.67 117.98 126.25 2bw2 s PHE 58 Ca 0.03 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 56.72 2bw2 s PHE 58 Cb -0.15 -1.02 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 2bw2 s PHE 58 CO -0.06 0.29 -0.16 -0.98 -0.10 0.00 0.00 175.22 174.21 2bw2 s ARG 59 N -2.25 1.11 -0.05 0.44 1.70 -0.15 -0.66 118.95 119.09 2bw2 s ARG 59 Ca 0.12 -0.81 -0.02 0.00 -0.47 0.00 0.00 55.73 54.55 2bw2 s ARG 59 Cb -0.09 -1.16 0.04 0.00 -0.57 0.00 0.00 34.95 33.17 2bw2 s ARG 59 CO 0.06 0.29 0.10 0.21 -1.08 0.00 0.00 175.30 174.88 2bw2 s LYS 60 N -1.10 0.02 -0.41 3.89 2.47 0.33 -0.02 119.74 124.92 2bw2 s LYS 60 Ca 0.04 0.37 0.04 0.00 -1.56 0.00 0.00 55.97 54.86 2bw2 s LYS 60 Cb -0.08 -0.27 0.11 0.00 -1.46 0.00 0.00 37.83 36.13 2bw2 s LYS 60 CO 0.01 -0.22 0.14 1.14 0.16 0.00 0.00 175.35 176.58 2bw2 s GLN 61 N 1.56 1.63 -0.14 4.03 -2.07 -1.26 -3.42 119.66 119.99 2bw2 s GLN 61 Ca -0.04 -2.14 0.17 0.00 -1.82 0.00 0.00 55.36 51.53 2bw2 s GLN 61 Cb -0.12 -3.17 0.37 0.00 -1.09 0.00 0.00 33.01 29.00 2bw2 s GLN 61 CO -0.05 -1.02 1.25 0.00 -1.32 0.00 0.00 175.29 174.16 2bw2 n MET 62 N 3.81 2.04 -4.15 9.60 0.00 -1.26 -4.98 117.12 122.18 2bw2 n MET 62 Ca 0.04 -2.61 -0.14 0.00 0.00 0.00 0.00 57.70 54.99 2bw2 n MET 62 Cb 0.38 -1.60 -0.07 0.00 0.00 0.00 0.00 33.22 31.92 2bw2 n MET 62 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2bw2 s ASP 63 N -2.37 0.59 0.00 3.17 -1.08 -1.26 -5.15 116.67 110.58 2bw2 s ASP 63 Ca 0.34 -1.40 0.00 0.00 -0.52 0.00 0.00 52.55 50.97 2bw2 s ASP 63 Cb 0.29 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 42.27 2bw2 s ASP 63 CO 0.05 -1.06 0.00 -0.90 0.52 0.00 0.00 175.17 173.79 2bw2 n ASP 64 N -0.83 0.00 -4.99 -0.34 5.75 -1.26 -4.84 116.55 110.04 2bw2 n ASP 64 Ca 0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.61 2bw2 n ASP 64 Cb 0.63 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.74 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2bw2 s ILE 65 N 0.14 2.66 0.40 2.12 -4.36 -1.26 -0.11 121.20 120.79 2bw2 s ILE 65 Ca 0.00 -1.08 0.08 0.00 -0.26 0.00 0.00 60.65 59.39 2bw2 s ILE 65 Cb 0.00 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 2bw2 s ILE 65 CO 0.00 0.00 0.33 -0.94 0.24 0.00 0.00 174.94 174.57 2bw2 s SER 66 N -4.39 5.00 0.59 4.36 1.04 -1.26 -4.94 113.70 114.09 2bw2 s SER 66 Ca 0.55 -0.75 0.29 0.00 0.48 0.00 0.00 55.95 56.52 2bw2 s SER 66 Cb -0.07 -0.63 1.78 0.00 0.10 0.00 0.00 66.02 67.20 2bw2 s SER 66 CO 0.33 -0.58 2.25 1.55 0.98 0.00 0.00 173.24 177.77 2bw2 h PRO 67 N 1.13 0.00 -0.14 4.02 0.13 -2.00 -1.81 132.00 133.32 2bw2 h PRO 67 Ca -0.42 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 2bw2 h PRO 67 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2bw2 h PRO 67 CO 0.59 0.00 -0.50 1.25 -0.23 0.00 0.00 178.00 179.11 2bw2 h LEU 68 N 0.00 0.42 -1.58 1.56 7.12 -1.99 -2.36 115.31 118.48 2bw2 h LEU 68 Ca 0.00 -0.21 0.05 0.00 0.13 0.00 0.00 57.88 57.85 2bw2 h LEU 68 Cb 0.02 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.00 2bw2 h LEU 68 CO -0.00 0.86 0.36 0.28 -0.13 0.00 0.00 178.44 179.80 2bw2 h SER 69 N 0.31 0.46 1.48 1.25 0.02 -1.70 0.24 113.55 115.61 2bw2 h SER 69 Ca 0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2bw2 h SER 69 Cb 0.99 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2bw2 h SER 69 CO 0.09 0.31 -0.06 0.11 -1.14 0.00 0.00 176.83 176.13 2bw2 h LYS 70 N 0.53 0.00 0.02 3.45 1.57 -1.43 0.32 116.57 121.02 2bw2 h LYS 70 Ca 0.23 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.66 2bw2 h LYS 70 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 2bw2 h LYS 70 CO -0.06 0.00 -2.07 1.33 -0.57 0.00 0.00 179.45 178.07 2bw2 n VAL 71 N -2.34 1.56 0.00 0.50 0.24 -0.23 -4.79 118.33 113.28 2bw2 n VAL 71 Ca 0.05 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 2bw2 n VAL 71 Cb 0.44 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 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 -3.07 0.00 -2.62 -1.34 5.15 -0.09 -5.09 115.26 108.20 2bw2 n ASN 72 Ca -0.29 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.64 2bw2 n ASN 72 Cb 1.07 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 40.33 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 2.58 -1.85 3.15 8.20 0.00 0.10 -4.94 105.19 112.41 2bw2 n GLY 73 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 46.02 46.96 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 -2.15 -1.66 0.02 1.61 2.02 -1.11 -3.61 117.35 112.47 2bw2 s TYR 74 Ca 0.16 1.58 -0.29 0.00 -0.37 0.00 0.00 57.07 58.16 2bw2 s TYR 74 Cb -0.05 0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 41.99 2bw2 s TYR 74 CO 0.65 -0.92 0.94 0.42 -1.57 0.00 0.00 175.55 175.07 2bw2 s ILE 75 N 2.85 4.81 -0.13 2.71 1.01 -1.05 -2.05 121.20 129.36 2bw2 s ILE 75 Ca 0.19 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.83 2bw2 s ILE 75 Cb -0.14 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.07 2bw2 s ILE 75 CO -0.22 0.21 -0.12 -0.83 0.00 0.00 0.00 174.94 173.98 2bw2 s GLY 76 N 0.75 0.99 -0.07 6.18 0.00 0.75 -1.35 107.32 114.57 2bw2 s GLY 76 Ca 0.49 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.50 2bw2 s GLY 76 CO 0.27 0.58 -0.14 0.14 0.00 0.00 0.00 173.10 173.95 2bw2 s VAL 77 N 1.48 3.02 0.47 1.40 1.01 -0.94 -2.08 120.40 124.76 2bw2 s VAL 77 Ca 0.03 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2bw2 s VAL 77 Cb -0.13 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.06 2bw2 s VAL 77 CO -0.08 0.57 0.53 -0.44 0.00 0.00 0.00 175.10 175.68 2bw2 s SER 78 N -0.39 5.17 0.37 3.32 0.01 -0.97 -4.16 113.70 117.05 2bw2 s SER 78 Ca 0.04 -0.75 0.15 0.00 1.31 0.00 0.00 55.95 56.71 2bw2 s SER 78 Cb -0.12 -0.26 1.03 0.00 0.21 0.00 0.00 66.02 66.88 2bw2 s SER 78 CO 0.02 -0.90 1.75 0.44 0.41 0.00 0.00 173.24 174.96 2bw2 h ASP 79 N 0.69 0.53 -0.20 2.44 5.19 -1.96 0.46 116.42 123.57 2bw2 h ASP 79 Ca -0.38 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 2bw2 h ASP 79 Cb 1.28 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2bw2 h ASP 79 CO 0.50 0.08 0.00 0.59 -3.12 0.00 0.00 179.24 177.30 2bw2 n ASN 80 N -4.73 2.57 -1.75 6.45 3.02 -1.26 -4.04 115.26 115.52 2bw2 n ASN 80 Ca 0.26 -2.31 -0.12 0.00 -0.03 0.00 0.00 54.58 52.39 2bw2 n ASN 80 Cb 0.85 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.23 0.09 3.59 7.41 0.00 0.16 -2.21 105.19 114.47 2bw2 n GLY 81 Ca 0.09 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.93 3.75 -0.03 1.61 1.01 -1.02 -0.86 120.40 121.92 2bw2 s VAL 82 Ca 0.19 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 2bw2 s VAL 82 Cb -0.08 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2bw2 s VAL 82 CO 0.23 -0.80 1.89 -0.38 0.00 0.00 0.00 175.10 176.04 2bw2 n ILE 83 N 7.11 1.97 -2.61 2.22 2.08 0.48 -2.29 119.36 128.31 2bw2 n ILE 83 Ca 0.17 -0.56 -0.22 0.00 0.56 0.00 0.00 62.75 62.70 2bw2 n ILE 83 Cb 0.48 -1.42 0.06 0.00 -0.75 0.00 0.00 39.64 38.02 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 1.69 4.91 0.02 4.38 0.01 -0.88 -3.77 113.70 120.06 2bw2 s SER 84 Ca 0.03 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.18 2bw2 s SER 84 Cb 0.03 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 2bw2 s SER 84 CO 0.00 -1.43 -0.08 0.42 0.41 0.00 0.00 173.24 172.56 2bw2 s THR 85 N -2.92 3.55 0.13 1.44 -4.23 -1.26 -0.18 115.64 112.18 2bw2 s THR 85 Ca 0.61 -0.86 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 2bw2 s THR 85 Cb -0.08 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2bw2 s THR 85 CO 0.41 0.35 -0.17 -0.36 -0.54 0.00 0.00 174.62 174.31 2bw2 s PHE 86 N -1.02 1.62 -0.61 3.99 0.40 -0.87 -2.61 117.98 118.89 2bw2 s PHE 86 Ca 0.17 -0.49 -0.22 0.00 -0.60 0.00 0.00 56.93 55.79 2bw2 s PHE 86 Cb -0.11 -0.85 0.06 0.00 0.51 0.00 0.00 43.02 42.64 2bw2 s PHE 86 CO 0.08 0.22 0.91 -1.58 0.70 0.00 0.00 175.22 175.55 2bw2 s HIS 87 N -1.83 2.77 0.00 0.36 2.46 -0.45 -4.43 115.29 114.16 2bw2 s HIS 87 Ca 0.10 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.21 2bw2 s HIS 87 Cb -0.07 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.25 2bw2 s HIS 87 CO 0.05 -1.48 0.00 0.41 -2.47 0.00 0.00 174.74 171.25 2bw2 n GLY 88 N 5.25 -1.80 3.66 1.59 0.00 -1.26 -3.77 105.19 108.85 2bw2 n GLY 88 Ca -0.03 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2bw2 n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bw2 s ARG 89 N 0.00 4.13 -0.57 1.61 1.81 -1.26 -4.82 118.95 119.85 2bw2 s ARG 89 Ca 0.00 2.41 -0.26 0.00 -1.72 0.00 0.00 55.73 56.16 2bw2 s ARG 89 Cb 0.00 -4.09 -0.05 0.00 -0.45 0.00 0.00 34.95 30.36 2bw2 s ARG 89 CO 0.00 -0.94 2.14 -1.25 -0.68 0.00 0.00 175.30 174.58 2bw2 s PRO 90 N 4.32 2.34 0.28 3.54 0.04 -1.26 -4.55 135.00 139.71 2bw2 s PRO 90 Ca 0.82 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.85 2bw2 s PRO 90 Cb -0.38 -4.51 -0.03 0.00 0.04 0.00 0.00 34.50 29.61 2bw2 s PRO 90 CO 0.36 -3.06 0.24 -1.83 0.04 0.00 0.00 177.00 172.75 2bw2 s GLU 91 N 7.69 1.54 0.00 4.56 -1.05 -1.26 -4.84 118.70 125.34 2bw2 s GLU 91 Ca 0.82 -1.82 0.19 0.00 -0.15 0.00 0.00 54.97 54.01 2bw2 s GLU 91 Cb -0.15 0.32 0.85 0.00 -0.44 0.00 0.00 34.13 34.71 2bw2 s GLU 91 CO 0.22 -0.56 1.61 -0.35 0.95 0.00 0.00 175.26 177.14 2bw2 n PRO 92 N -0.47 0.05 0.00 -4.83 -0.04 -1.26 -1.55 135.00 126.90 2bw2 n PRO 92 Ca 0.05 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2bw2 n PRO 92 Cb 0.64 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.90 2bw2 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bw2 n ALA 93 N -1.46 2.76 -2.89 0.55 0.00 -1.26 -4.89 120.51 113.31 2bw2 n ALA 93 Ca 0.05 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 2bw2 n ALA 93 Cb 0.21 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2bw2 n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bw2 s SER 94 N -2.15 6.03 -0.18 0.00 1.04 -0.60 -5.05 113.70 112.78 2bw2 s SER 94 Ca 0.30 0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.47 2bw2 s SER 94 Cb 0.20 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 2bw2 s SER 94 CO 0.39 0.03 1.39 -1.61 0.98 0.00 0.00 173.24 174.42 2bw2 s GLU 95 N -3.35 4.10 0.07 4.02 2.02 -1.25 -4.80 118.70 119.51 2bw2 s GLU 95 Ca 0.33 1.67 -0.30 0.00 0.02 0.00 0.00 54.97 56.70 2bw2 s GLU 95 Cb -0.10 -3.87 -0.05 0.00 0.10 0.00 0.00 34.13 30.21 2bw2 s GLU 95 CO 0.27 -0.90 1.04 -1.25 0.02 0.00 0.00 175.26 174.44 2bw2 s PRO 96 N 3.90 4.57 -0.23 0.39 0.04 -1.26 -1.34 135.00 141.06 2bw2 s PRO 96 Ca 0.61 1.55 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 2bw2 s PRO 96 Cb -0.23 -3.38 -0.17 0.00 0.04 0.00 0.00 34.50 30.76 2bw2 s PRO 96 CO 0.21 -0.01 0.03 -0.89 0.04 0.00 0.00 177.00 176.38 2bw2 n ILE 97 N 3.37 1.54 -2.88 0.56 5.41 -1.07 -4.97 119.36 121.32 2bw2 n ILE 97 Ca 0.05 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2bw2 n ILE 97 Cb 0.49 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.43 2bw2 n ILE 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bw2 n GLN 98 N -4.36 0.00 -3.62 0.38 0.00 -1.26 -4.89 117.38 103.64 2bw2 n GLN 98 Ca -0.40 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 56.46 2bw2 n GLN 98 Cb 0.75 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.86 2bw2 n GLN 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2bw2 s SER 99 N -0.62 0.55 0.00 2.61 0.01 -1.26 -4.40 113.70 110.60 2bw2 s SER 99 Ca 0.00 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2bw2 s SER 99 Cb 0.00 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2bw2 s SER 99 CO 0.00 -0.26 0.00 0.49 0.41 0.00 0.00 173.24 173.88 2bw2 n PHE 100 N 5.34 0.00 -4.61 2.43 3.72 -1.25 -4.98 117.46 118.12 2bw2 n PHE 100 Ca -0.06 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.07 2bw2 n PHE 100 Cb 0.50 -0.38 -0.11 0.00 -0.94 0.00 0.00 39.48 38.55 2bw2 n PHE 100 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2bw2 s PHE 101 N -0.92 2.48 -0.08 1.38 0.40 -1.26 -4.95 117.98 115.04 2bw2 s PHE 101 Ca 0.00 -0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 2bw2 s PHE 101 Cb 0.00 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.83 2bw2 s PHE 101 CO 0.00 0.44 -0.01 -0.65 0.70 0.00 0.00 175.22 175.70 2bw2 s GLN 102 N -3.71 0.73 0.32 0.44 -0.21 -1.21 -0.39 119.66 115.64 2bw2 s GLN 102 Ca 0.35 0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.83 2bw2 s GLN 102 Cb 0.09 -1.05 -0.06 0.00 1.00 0.00 0.00 33.01 32.99 2bw2 s GLN 102 CO 0.18 -0.29 0.04 0.96 -2.12 0.00 0.00 175.29 174.05 2bw2 s ILE 103 N 1.91 1.30 -0.44 1.08 -4.36 -0.04 -3.30 121.20 117.35 2bw2 s ILE 103 Ca 0.05 -2.02 -0.24 0.00 -0.26 0.00 0.00 60.65 58.18 2bw2 s ILE 103 Cb -0.12 -2.75 0.02 0.00 1.25 0.00 0.00 42.46 40.87 2bw2 s ILE 103 CO -0.06 -0.05 0.81 -1.81 0.24 0.00 0.00 174.94 174.07 2bw2 s ASP 104 N -3.49 6.44 0.37 4.36 1.01 -1.25 -1.85 116.67 122.27 2bw2 s ASP 104 Ca 0.35 -0.02 0.16 0.00 0.71 0.00 0.00 52.55 53.75 2bw2 s ASP 104 Cb 0.08 -2.40 0.73 0.00 1.01 0.00 0.00 42.92 42.34 2bw2 s ASP 104 CO 0.15 -0.92 1.79 -0.07 0.21 0.00 0.00 175.17 176.33 2bw2 h LEU 105 N 10.18 0.00 -1.84 1.23 3.38 -1.88 -1.15 115.31 125.22 2bw2 h LEU 105 Ca -0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 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 0.97 0.39 -0.14 1.05 0.09 0.00 0.00 178.44 180.80 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.89 -1.63 114.58 116.30 2bw2 h GLU 106 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2bw2 h GLU 106 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2bw2 h GLU 106 CO 0.05 0.14 -0.73 0.07 0.07 0.00 0.00 179.01 178.61 2bw2 h ARG 107 N 0.00 0.00 -7.16 1.06 0.11 -1.63 -3.46 114.38 103.30 2bw2 h ARG 107 Ca -0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 2bw2 h ARG 107 Cb 0.34 0.00 0.13 0.00 1.11 0.00 0.00 29.97 31.56 2bw2 h ARG 107 CO 0.02 0.02 0.41 -0.51 0.10 0.00 0.00 179.97 180.01 2bw2 s LEU 108 N -5.63 3.42 0.39 0.08 2.01 -0.61 -5.02 118.68 113.33 2bw2 s LEU 108 Ca 0.02 2.30 -0.24 0.00 0.01 0.00 0.00 54.13 56.21 2bw2 s LEU 108 Cb 0.08 -4.58 -0.09 0.00 0.01 0.00 0.00 46.19 41.61 2bw2 s LEU 108 CO 0.76 -1.96 1.05 -1.83 1.01 0.00 0.00 176.35 175.37 2bw2 s GLU 109 N -3.79 4.19 0.16 1.70 -1.05 -1.26 -4.92 118.70 113.72 2bw2 s GLU 109 Ca 0.74 1.52 -0.31 0.00 -0.15 0.00 0.00 54.97 56.77 2bw2 s GLU 109 Cb -0.28 -2.57 -0.06 0.00 -0.44 0.00 0.00 34.13 30.79 2bw2 s GLU 109 CO 0.41 -0.12 1.54 0.77 0.95 0.00 0.00 175.26 178.81 2bw2 h SER 110 N 2.55 -2.08 1.58 0.83 0.02 -1.95 -1.80 113.55 112.70 2bw2 h SER 110 Ca -0.48 0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2bw2 h SER 110 Cb 1.21 0.92 0.00 0.00 0.14 0.00 0.00 62.40 64.67 2bw2 h SER 110 CO 0.62 -0.26 0.00 0.45 -1.14 0.00 0.00 176.83 176.50 2bw2 h HIS 111 N -0.06 0.00 0.09 3.45 3.86 -1.98 -2.92 115.15 117.59 2bw2 h HIS 111 Ca 0.16 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2bw2 h HIS 111 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2bw2 h HIS 111 CO -0.97 0.00 -0.05 0.52 0.86 0.00 0.00 177.93 178.29 2bw2 h MET 112 N 0.00 -0.12 -0.46 2.45 2.07 -1.72 -1.55 114.93 115.60 2bw2 h MET 112 Ca 0.00 0.01 -0.11 0.00 -2.07 0.00 0.00 59.70 57.53 2bw2 h MET 112 Cb 0.79 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.53 2bw2 h MET 112 CO 0.00 0.31 -0.16 -0.56 1.07 0.00 0.00 176.91 177.56 2bw2 h GLN 113 N -0.60 0.87 0.00 1.72 3.07 -1.55 -2.52 115.11 116.11 2bw2 h GLN 113 Ca -0.01 -0.33 -0.06 0.00 0.09 0.00 0.00 58.65 58.33 2bw2 h GLN 113 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 2bw2 h GLN 113 CO 0.02 0.97 -0.30 0.87 0.09 0.00 0.00 178.83 180.48 2bw2 h LYS 114 N 0.77 0.00 -0.56 0.06 1.57 -1.56 0.32 116.57 117.18 2bw2 h LYS 114 Ca 0.12 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2bw2 h LYS 114 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2bw2 h LYS 114 CO 0.05 0.30 -0.01 -0.97 -0.57 0.00 0.00 179.45 178.26 2bw2 h ASN 115 N 0.00 0.97 0.32 0.86 -1.24 -0.86 -2.44 115.58 113.19 2bw2 h ASN 115 Ca -0.00 -0.31 -0.13 0.00 0.71 0.00 0.00 56.30 56.57 2bw2 h ASN 115 Cb 0.63 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2bw2 h ASN 115 CO 0.04 1.04 -0.52 -0.07 -1.29 0.00 0.00 177.43 176.63 2bw2 h LEU 116 N 0.87 0.25 -0.74 0.34 3.38 -1.06 -2.54 115.31 115.80 2bw2 h LEU 116 Ca 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2bw2 h LEU 116 Cb 0.55 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2bw2 h LEU 116 CO 0.03 0.73 0.47 -0.07 0.09 0.00 0.00 178.44 179.69 2bw2 h LEU 117 N 0.18 0.88 -0.39 1.67 3.38 -0.49 -2.33 115.31 118.20 2bw2 h LEU 117 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bw2 h LEU 117 Cb 0.98 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2bw2 h LEU 117 CO 0.08 0.66 -0.30 2.29 0.09 0.00 0.00 178.44 181.26 2bw2 n LYS 118 N -4.53 0.66 0.00 1.13 0.00 -1.00 -4.46 118.16 109.96 2bw2 n LYS 118 Ca 0.07 -0.39 0.00 0.00 -0.00 0.00 0.00 58.31 57.99 2bw2 n LYS 118 Cb 0.04 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.58 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 1.37 2.35 3.46 2.58 0.00 -0.92 -4.42 105.19 109.62 2bw2 n GLY 119 Ca 0.11 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.80 5.04 -1.56 -0.61 -1.09 -0.46 -4.70 121.20 116.02 2bw2 s ILE 120 Ca 0.00 -0.52 0.30 0.00 -2.23 0.00 0.00 60.65 58.20 2bw2 s ILE 120 Cb 0.00 -3.70 0.61 0.00 -1.58 0.00 0.00 42.46 37.79 2bw2 s ILE 120 CO 0.00 -0.14 2.09 -0.81 -1.23 0.00 0.00 174.94 174.84 2bw2 n PRO 121 N 5.09 0.56 -3.42 2.79 -0.04 -1.24 -2.54 135.00 136.20 2bw2 n PRO 121 Ca -0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 2bw2 n PRO 121 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 2bw2 n PRO 121 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2bw2 s PHE 122 N -2.44 3.21 -0.19 0.54 0.08 -1.26 -4.84 117.98 113.08 2bw2 s PHE 122 Ca 0.33 -0.17 -0.14 0.00 0.12 0.00 0.00 56.93 57.07 2bw2 s PHE 122 Cb 0.21 -2.67 0.06 0.00 -0.57 0.00 0.00 43.02 40.04 2bw2 s PHE 122 CO 0.44 -0.48 0.48 -0.98 -0.10 0.00 0.00 175.22 174.58 2bw2 s ARG 123 N 1.95 0.52 0.31 0.44 1.04 -1.26 -4.78 118.95 117.17 2bw2 s ARG 123 Ca 0.10 0.80 -0.12 0.00 -1.04 0.00 0.00 55.73 55.47 2bw2 s ARG 123 Cb -0.17 0.14 0.02 0.00 -2.04 0.00 0.00 34.95 32.89 2bw2 s ARG 123 CO 0.12 -0.12 0.60 0.99 -0.04 0.00 0.00 175.30 176.85 2bw2 s THR 124 N 0.91 0.00 0.16 4.99 2.01 -1.26 -4.98 115.64 117.47 2bw2 s THR 124 Ca -0.05 -1.29 -0.15 0.00 0.31 0.00 0.00 61.69 60.51 2bw2 s THR 124 Cb -0.06 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 70.02 2bw2 s THR 124 CO -0.08 0.00 1.79 0.07 -0.69 0.00 0.00 174.62 175.71 2bw2 h LYS 125 N 2.11 0.44 0.00 4.92 2.10 -1.98 -1.08 116.57 123.08 2bw2 h LYS 125 Ca -0.27 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.23 2bw2 h LYS 125 Cb 1.25 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2bw2 h LYS 125 CO 0.36 0.29 -0.75 0.00 -2.00 0.00 0.00 179.45 177.35 2bw2 h ALA 126 N 1.21 0.65 -0.01 0.07 0.00 -1.98 -3.11 119.26 116.08 2bw2 h ALA 126 Ca 0.18 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2bw2 h ALA 126 Cb 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2bw2 h ALA 126 CO -0.11 0.73 -0.76 0.93 0.00 0.00 0.00 179.25 180.04 2bw2 h GLU 127 N 0.00 0.07 0.08 0.00 5.08 -1.83 0.72 114.58 118.71 2bw2 h GLU 127 Ca -0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2bw2 h GLU 127 Cb 1.45 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2bw2 h GLU 127 CO 0.06 0.79 -0.04 0.35 -1.00 0.00 0.00 179.01 179.17 2bw2 h PHE 128 N 0.04 -0.10 0.00 4.33 3.04 -1.21 -2.40 116.94 120.64 2bw2 h PHE 128 Ca -0.02 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2bw2 h PHE 128 Cb 1.33 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.87 2bw2 h PHE 128 CO 0.01 0.31 -0.07 1.05 -2.02 0.00 0.00 178.31 177.59 2bw2 h GLU 129 N -0.55 0.00 -0.28 1.11 4.11 -1.47 -0.30 114.58 117.19 2bw2 h GLU 129 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.35 2bw2 h GLU 129 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2bw2 h GLU 129 CO 0.02 0.07 -0.10 0.22 0.07 0.00 0.00 179.01 179.29 2bw2 h ASP 130 N 0.00 0.57 0.08 3.06 1.82 -0.69 0.22 116.42 121.48 2bw2 h ASP 130 Ca -0.00 -0.38 -0.22 0.00 -0.39 0.00 0.00 57.03 56.04 2bw2 h ASP 130 Cb 0.46 -0.16 0.01 0.00 0.68 0.00 0.00 39.33 40.32 2bw2 h ASP 130 CO 0.01 0.83 -0.84 1.62 -1.61 0.00 0.00 179.24 179.25 2bw2 h VAL 131 N 0.32 1.33 -0.41 2.25 3.04 -1.16 -3.08 116.25 118.54 2bw2 h VAL 131 Ca 0.07 -2.15 -0.08 0.00 -1.01 0.00 0.00 66.70 63.53 2bw2 h VAL 131 Cb 0.59 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 32.01 2bw2 h VAL 131 CO 0.03 0.66 -0.08 0.40 -1.01 0.00 0.00 177.57 177.58 2bw2 h ILE 132 N 0.39 1.25 0.00 3.17 5.03 -0.96 0.55 117.51 126.94 2bw2 h ILE 132 Ca -0.06 -1.08 -0.00 0.00 -0.12 0.00 0.00 64.86 63.59 2bw2 h ILE 132 Cb 1.46 1.01 -0.00 0.00 -3.03 0.00 0.00 36.82 36.26 2bw2 h ILE 132 CO 0.16 0.37 -0.01 1.05 -0.68 0.00 0.00 178.15 179.03 2bw2 h GLU 133 N 0.66 0.00 0.15 2.37 4.11 -0.57 -0.13 114.58 121.17 2bw2 h GLU 133 Ca 0.12 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.26 2bw2 h GLU 133 Cb 0.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2bw2 h GLU 133 CO 0.03 0.01 -1.42 1.25 0.07 0.00 0.00 179.01 178.95 2bw2 h HIS 134 N 0.00 0.58 -0.86 2.06 2.76 -1.25 -3.29 115.15 115.14 2bw2 h HIS 134 Ca -0.00 -0.42 0.09 0.00 -2.20 0.00 0.00 60.37 57.83 2bw2 h HIS 134 Cb 0.48 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.35 2bw2 h HIS 134 CO 0.00 1.55 0.52 0.52 -1.30 0.00 0.00 177.93 179.22 2bw2 h MET 135 N -0.17 0.86 0.00 5.26 2.86 -0.26 -1.21 114.93 122.27 2bw2 h MET 135 Ca -0.29 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2bw2 h MET 135 Cb 1.87 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.34 2bw2 h MET 135 CO 0.12 0.57 0.00 1.57 1.06 0.00 0.00 176.91 180.23 2bw2 h LYS 136 N 0.89 0.00 -0.06 1.72 2.10 -1.17 -1.48 116.57 118.57 2bw2 h LYS 136 Ca 0.40 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.99 2bw2 h LYS 136 Cb 0.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 2bw2 h LYS 136 CO -0.22 0.00 -0.26 1.79 -2.00 0.00 0.00 179.45 178.76 2bw2 h THR 137 N 0.00 1.21 0.00 0.07 1.35 -1.28 -3.24 112.91 111.02 2bw2 h THR 137 Ca 0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2bw2 h THR 137 Cb 0.34 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2bw2 h THR 137 CO 0.00 0.29 -0.02 1.88 -0.25 0.00 0.00 175.52 177.42 2bw2 h TYR 138 N 0.09 0.00 -1.58 4.73 -1.99 -1.40 -3.47 116.97 113.35 2bw2 h TYR 138 Ca 0.01 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.47 2bw2 h TYR 138 Cb 0.51 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 39.14 2bw2 h TYR 138 CO 0.00 0.00 -0.26 0.45 -0.00 0.00 0.00 178.16 178.35 2bw2 n SER 139 N -2.56 -3.63 0.00 3.88 2.88 -0.65 -4.91 113.62 108.63 2bw2 n SER 139 Ca -0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2bw2 n SER 139 Cb 0.01 -3.35 0.00 0.00 -0.75 0.00 0.00 64.21 60.12 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42