#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 2.30 0.97 0.00 8.01 -1.26 -5.03 118.70 123.69 2bw2 s GLU 2 Ca 0.00 -0.86 0.00 0.00 0.01 0.00 0.00 54.97 54.12 2bw2 s GLU 2 Cb 0.00 -2.34 0.00 0.00 -4.31 0.00 0.00 34.13 27.48 2bw2 s GLU 2 CO 0.00 0.57 0.00 0.28 0.01 0.00 0.00 175.26 176.12 2bw2 n VAL 3 N 1.52 0.00 -3.77 2.63 0.31 -1.26 -4.66 118.33 113.10 2bw2 n VAL 3 Ca -0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.82 2bw2 n VAL 3 Cb 0.52 -0.26 -0.10 0.00 -0.91 0.00 0.00 33.84 33.09 2bw2 n VAL 3 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2bw2 s GLU 4 N -1.24 4.02 0.20 5.55 -1.05 -1.26 -5.06 118.70 119.87 2bw2 s GLU 4 Ca 0.00 -0.30 0.08 0.00 -0.15 0.00 0.00 54.97 54.60 2bw2 s GLU 4 Cb 0.00 -3.41 -0.05 0.00 -0.44 0.00 0.00 34.13 30.23 2bw2 s GLU 4 CO 0.00 0.13 -0.15 -3.38 0.95 0.00 0.00 175.26 172.81 2bw2 s HIS 5 N 0.82 1.74 -0.31 4.83 -3.43 -1.26 -5.03 115.29 112.65 2bw2 s HIS 5 Ca 0.06 -0.55 0.23 0.00 -0.80 0.00 0.00 55.06 53.99 2bw2 s HIS 5 Cb -0.13 -0.81 0.06 0.00 -1.43 0.00 0.00 32.58 30.27 2bw2 s HIS 5 CO 0.02 0.37 1.10 1.88 -2.00 0.00 0.00 174.74 176.11 2bw2 h TYR 6 N 2.60 0.00 -2.79 0.38 -1.99 -1.98 -3.45 116.97 109.74 2bw2 h TYR 6 Ca -0.38 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 59.81 2bw2 h TYR 6 Cb 1.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 2bw2 h TYR 6 CO 0.72 0.00 0.93 -1.21 -0.00 0.00 0.00 178.16 178.60 2bw2 s GLU 7 N -3.33 4.24 0.77 4.88 0.41 -1.26 -5.01 118.70 119.40 2bw2 s GLU 7 Ca 0.01 2.12 -0.12 0.00 -0.41 0.00 0.00 54.97 56.57 2bw2 s GLU 7 Cb 0.10 -3.64 0.06 0.00 -1.78 0.00 0.00 34.13 28.86 2bw2 s GLU 7 CO 0.78 -0.67 1.15 -1.25 -0.49 0.00 0.00 175.26 174.78 2bw2 s PRO 8 N 2.74 2.27 -0.21 0.39 0.05 -1.26 -4.82 135.00 134.16 2bw2 s PRO 8 Ca 0.68 0.24 0.01 0.00 0.05 0.00 0.00 61.00 61.98 2bw2 s PRO 8 Cb -0.34 -1.97 0.03 0.00 0.05 0.00 0.00 34.50 32.26 2bw2 s PRO 8 CO 0.29 -1.40 -0.16 -1.17 0.05 0.00 0.00 177.00 174.60 2bw2 s LEU 9 N -5.51 2.55 -0.72 -3.56 1.98 0.95 -4.85 118.68 109.53 2bw2 s LEU 9 Ca 0.61 -0.83 -0.27 0.00 -2.89 0.00 0.00 54.13 50.74 2bw2 s LEU 9 Cb -0.11 -1.52 0.03 0.00 0.66 0.00 0.00 46.19 45.25 2bw2 s LEU 9 CO 0.50 -0.05 1.31 -1.10 -1.89 0.00 0.00 176.35 175.12 2bw2 s GLN 10 N 1.26 3.19 -0.25 1.98 -0.21 -1.26 -0.88 119.66 123.48 2bw2 s GLN 10 Ca 0.01 -0.13 -0.11 0.00 0.02 0.00 0.00 55.36 55.15 2bw2 s GLN 10 Cb -0.15 -4.18 -0.05 0.00 1.00 0.00 0.00 33.01 29.63 2bw2 s GLN 10 CO -0.10 -2.14 0.18 0.08 -2.12 0.00 0.00 175.29 171.19 2bw2 s VAL 11 N 5.88 5.34 -0.49 1.09 1.01 0.69 -4.62 120.40 129.29 2bw2 s VAL 11 Ca 0.38 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 2bw2 s VAL 11 Cb -0.08 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.85 2bw2 s VAL 11 CO 0.16 0.32 0.48 -2.28 0.00 0.00 0.00 175.10 173.78 2bw2 s HIS 12 N 1.24 3.18 -0.13 5.22 2.46 0.45 -0.67 115.29 127.03 2bw2 s HIS 12 Ca 0.08 -0.84 -0.13 0.00 0.47 0.00 0.00 55.06 54.64 2bw2 s HIS 12 Cb -0.14 -3.35 -0.05 0.00 -0.13 0.00 0.00 32.58 28.91 2bw2 s HIS 12 CO 0.06 -0.90 0.30 0.14 -2.47 0.00 0.00 174.74 171.87 2bw2 s VAL 13 N 1.97 5.28 -0.40 0.89 -7.23 0.98 -0.75 120.40 121.13 2bw2 s VAL 13 Ca 0.07 0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 60.70 2bw2 s VAL 13 Cb -0.23 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 33.12 2bw2 s VAL 13 CO 0.08 0.44 0.26 -1.58 -0.31 0.00 0.00 175.10 173.99 2bw2 s GLN 14 N 0.07 2.81 -0.34 4.82 0.74 -0.39 -1.18 119.66 126.19 2bw2 s GLN 14 Ca 0.18 -1.19 -0.19 0.00 0.05 0.00 0.00 55.36 54.21 2bw2 s GLN 14 Cb -0.14 -3.83 -0.00 0.00 1.10 0.00 0.00 33.01 30.14 2bw2 s GLN 14 CO 0.06 -0.80 0.58 -0.51 -0.55 0.00 0.00 175.29 174.06 2bw2 s LEU 15 N 1.56 4.26 -0.19 3.68 2.01 0.11 -1.34 118.68 128.77 2bw2 s LEU 15 Ca 0.03 0.15 -0.13 0.00 0.01 0.00 0.00 54.13 54.18 2bw2 s LEU 15 Cb -0.21 -2.71 -0.05 0.00 0.01 0.00 0.00 46.19 43.24 2bw2 s LEU 15 CO 0.06 -0.52 0.26 -1.61 1.01 0.00 0.00 176.35 175.55 2bw2 s GLU 16 N 2.56 4.21 -0.38 1.70 2.02 0.39 -0.31 118.70 128.88 2bw2 s GLU 16 Ca 0.22 -0.00 -0.02 0.00 0.02 0.00 0.00 54.97 55.19 2bw2 s GLU 16 Cb -0.15 -3.46 0.10 0.00 0.10 0.00 0.00 34.13 30.72 2bw2 s GLU 16 CO 0.13 0.18 0.15 0.15 0.02 0.00 0.00 175.26 175.90 2bw2 s LYS 17 N 0.66 2.07 -0.10 1.61 1.02 -0.10 -0.10 119.74 124.80 2bw2 s LYS 17 Ca 0.14 -1.70 -0.25 0.00 0.02 0.00 0.00 55.97 54.18 2bw2 s LYS 17 Cb -0.13 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2bw2 s LYS 17 CO 0.03 -0.97 0.77 0.08 -0.92 0.00 0.00 175.35 174.35 2bw2 s VAL 18 N 1.16 4.97 0.20 3.17 1.01 -1.17 -1.61 120.40 128.13 2bw2 s VAL 18 Ca 0.06 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.67 2bw2 s VAL 18 Cb -0.22 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2bw2 s VAL 18 CO -0.04 0.16 0.07 -0.31 0.00 0.00 0.00 175.10 174.99 2bw2 s TYR 19 N 1.31 2.96 0.51 5.22 1.51 -0.33 -2.92 117.35 125.62 2bw2 s TYR 19 Ca 0.39 -0.11 0.17 0.00 -1.01 0.00 0.00 57.07 56.52 2bw2 s TYR 19 Cb -0.18 -1.40 1.28 0.00 -0.11 0.00 0.00 41.96 41.55 2bw2 s TYR 19 CO 0.17 0.53 2.13 -0.07 -1.11 0.00 0.00 175.55 177.21 2bw2 h LEU 20 N 2.30 0.00 -2.01 -1.29 4.07 -1.59 -2.29 115.31 114.50 2bw2 h LEU 20 Ca -0.47 0.00 0.15 0.00 0.08 0.00 0.00 57.88 57.64 2bw2 h LEU 20 Cb 1.21 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 2bw2 h LEU 20 CO 0.60 0.03 0.43 -0.78 -1.08 0.00 0.00 178.44 177.65 2bw2 h ASP 21 N 0.00 0.00 0.00 -0.43 3.58 -1.81 -3.44 116.42 114.32 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 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2bw2 h ASP 21 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2bw2 n GLY 22 N -1.59 1.33 3.85 -0.78 0.00 -0.86 -4.71 105.19 102.42 2bw2 n GLY 22 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.70 6.71 -0.12 1.61 2.15 -1.26 -4.46 116.67 119.60 2bw2 s ASP 23 Ca 0.00 1.40 -0.05 0.00 0.43 0.00 0.00 52.55 54.33 2bw2 s ASP 23 Cb 0.00 -2.43 0.06 0.00 -0.30 0.00 0.00 42.92 40.25 2bw2 s ASP 23 CO 0.00 -0.37 0.26 0.54 -0.17 0.00 0.00 175.17 175.43 2bw2 s VAL 24 N -2.26 -0.33 -0.18 1.11 0.11 -1.26 -1.18 120.40 116.40 2bw2 s VAL 24 Ca 0.56 0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 59.60 2bw2 s VAL 24 Cb -0.10 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2bw2 s VAL 24 CO 0.23 0.11 0.88 -0.55 -3.33 0.00 0.00 175.10 172.44 2bw2 s SER 25 N 2.16 6.99 -0.33 3.54 0.15 -0.63 -4.81 113.70 120.77 2bw2 s SER 25 Ca -0.01 1.23 -0.14 0.00 0.70 0.00 0.00 55.95 57.72 2bw2 s SER 25 Cb -0.12 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 61.70 2bw2 s SER 25 CO -0.09 -0.46 0.33 -0.63 1.20 0.00 0.00 173.24 173.59 2bw2 s ILE 26 N 2.40 5.20 -0.17 6.45 -1.09 -1.26 -0.92 121.20 131.80 2bw2 s ILE 26 Ca 0.40 0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.89 2bw2 s ILE 26 Cb -0.16 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 2bw2 s ILE 26 CO 0.11 -0.02 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.01 2bw2 s GLU 27 N 1.96 3.36 -0.21 2.79 2.12 0.58 -4.94 118.70 124.36 2bw2 s GLU 27 Ca 0.11 -0.67 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 2bw2 s GLU 27 Cb -0.17 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2bw2 s GLU 27 CO 0.11 0.01 0.09 -1.01 -0.54 0.00 0.00 175.26 173.92 2bw2 s HIS 28 N 0.89 3.22 0.02 5.30 3.76 -1.26 0.04 115.29 127.26 2bw2 s HIS 28 Ca -0.02 -0.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 2bw2 s HIS 28 Cb -0.15 -2.16 -0.01 0.00 1.11 0.00 0.00 32.58 31.36 2bw2 s HIS 28 CO 0.00 0.01 -0.07 0.15 -0.85 0.00 0.00 174.74 173.98 2bw2 s LYS 29 N 0.83 0.53 -0.25 1.40 1.02 -0.33 -5.00 119.74 117.95 2bw2 s LYS 29 Ca 0.05 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 55.58 2bw2 s LYS 29 Cb -0.13 -0.43 0.06 0.00 -0.52 0.00 0.00 37.83 36.81 2bw2 s LYS 29 CO 0.02 0.10 -0.07 -3.38 -0.92 0.00 0.00 175.35 171.11 2bw2 s HIS 30 N -0.68 2.72 0.01 3.18 -3.43 -1.25 -0.01 115.29 115.82 2bw2 s HIS 30 Ca -0.03 -1.98 0.04 0.00 -0.80 0.00 0.00 55.06 52.30 2bw2 s HIS 30 Cb -0.06 -1.73 -0.01 0.00 -1.43 0.00 0.00 32.58 29.35 2bw2 s HIS 30 CO 0.00 -0.82 -0.13 -1.83 -2.00 0.00 0.00 174.74 169.97 2bw2 s GLU 31 N 1.29 0.95 -0.08 -0.38 -1.05 0.15 -4.90 118.70 114.68 2bw2 s GLU 31 Ca -0.06 -0.57 -0.21 0.00 -0.15 0.00 0.00 54.97 53.98 2bw2 s GLU 31 Cb -0.19 -0.93 -0.04 0.00 -0.44 0.00 0.00 34.13 32.52 2bw2 s GLU 31 CO -0.06 0.25 0.58 0.15 0.95 0.00 0.00 175.26 177.13 2bw2 s LYS 32 N -0.66 4.37 0.07 -4.83 1.02 -1.24 -0.22 119.74 118.24 2bw2 s LYS 32 Ca 0.03 0.67 0.08 0.00 0.02 0.00 0.00 55.97 56.77 2bw2 s LYS 32 Cb -0.06 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2bw2 s LYS 32 CO 0.00 0.16 -0.20 0.14 -0.92 0.00 0.00 175.35 174.53 2bw2 s VAL 33 N 0.55 2.68 -0.12 3.17 -7.23 -0.06 -4.81 120.40 114.59 2bw2 s VAL 33 Ca 0.31 -1.34 0.20 0.00 -1.81 0.00 0.00 61.98 59.34 2bw2 s VAL 33 Cb -0.17 -2.15 -0.23 0.00 0.56 0.00 0.00 36.38 34.39 2bw2 s VAL 33 CO 0.15 0.26 0.50 0.49 -0.31 0.00 0.00 175.10 176.18 2bw2 n PHE 34 N 1.33 0.33 -3.89 2.82 3.72 -1.26 -0.03 117.46 120.48 2bw2 n PHE 34 Ca -0.16 0.11 -0.23 0.00 -0.05 0.00 0.00 57.45 57.12 2bw2 n PHE 34 Cb 0.52 -0.83 -0.17 0.00 -0.94 0.00 0.00 39.48 38.06 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 -5.19 1.56 0.38 4.37 0.15 -1.26 -4.67 113.70 109.04 2bw2 s SER 35 Ca -0.07 -0.14 0.11 0.00 0.70 0.00 0.00 55.95 56.56 2bw2 s SER 35 Cb 0.10 -0.52 0.77 0.00 -1.71 0.00 0.00 66.02 64.66 2bw2 s SER 35 CO 0.85 -0.15 1.87 0.24 1.20 0.00 0.00 173.24 177.26 2bw2 h MET 36 N 8.04 0.11 -0.22 5.44 2.86 -1.97 -1.77 114.93 127.41 2bw2 h MET 36 Ca -0.26 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.30 2bw2 h MET 36 Cb 1.13 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2bw2 h MET 36 CO 0.33 0.36 -0.10 0.22 1.06 0.00 0.00 176.91 178.78 2bw2 h ASP 37 N 0.10 0.32 0.05 1.22 3.58 -1.99 0.16 116.42 119.87 2bw2 h ASP 37 Ca 0.02 -0.07 -0.25 0.00 0.42 0.00 0.00 57.03 57.15 2bw2 h ASP 37 Cb 0.51 -0.09 0.02 0.00 1.72 0.00 0.00 39.33 41.49 2bw2 h ASP 37 CO 0.04 0.47 -0.98 -0.78 -2.88 0.00 0.00 179.24 175.11 2bw2 h ASP 38 N 0.33 0.83 -0.51 2.28 3.58 -1.77 -2.40 116.42 118.76 2bw2 h ASP 38 Ca 0.07 -0.64 0.01 0.00 0.42 0.00 0.00 57.03 56.89 2bw2 h ASP 38 Cb 0.39 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 2bw2 h ASP 38 CO 0.02 1.44 0.33 0.15 -2.88 0.00 0.00 179.24 178.30 2bw2 h PHE 39 N 0.38 0.62 -0.63 0.28 3.57 -0.50 0.15 116.94 120.80 2bw2 h PHE 39 Ca -0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 2bw2 h PHE 39 Cb 1.62 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 2bw2 h PHE 39 CO 0.09 0.37 0.20 -1.49 -2.23 0.00 0.00 178.31 175.25 2bw2 h TRP 40 N 0.66 0.98 -0.08 0.41 -0.00 -0.71 -0.73 115.95 116.47 2bw2 h TRP 40 Ca 0.20 -0.08 -0.14 0.00 -0.00 0.00 0.00 58.89 58.87 2bw2 h TRP 40 Cb -0.04 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 28.82 2bw2 h TRP 40 CO -0.05 0.78 -0.56 0.00 -0.00 0.00 0.00 178.44 178.61 2bw2 h ALA 41 N 1.29 0.90 -0.17 1.49 0.00 -0.89 0.23 119.26 122.10 2bw2 h ALA 41 Ca 0.21 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2bw2 h ALA 41 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2bw2 h ALA 41 CO -0.01 0.70 -0.52 0.00 0.00 0.00 0.00 179.25 179.42 2bw2 h ALA 42 N 1.22 0.78 -0.14 0.00 0.00 0.14 -3.20 119.26 118.06 2bw2 h ALA 42 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2bw2 h ALA 42 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2bw2 h ALA 42 CO 0.09 0.68 0.00 0.66 0.00 0.00 0.00 179.25 180.68 2bw2 n TYR 43 N -3.96 0.47 -0.19 0.00 4.02 -0.36 -4.73 117.16 112.41 2bw2 n TYR 43 Ca -0.03 -0.88 0.24 0.00 -0.01 0.00 0.00 57.90 57.22 2bw2 n TYR 43 Cb 0.58 -0.21 0.64 0.00 -0.02 0.00 0.00 39.34 40.33 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 0.97 2.57 -0.20 -0.72 0.00 -0.54 -0.57 119.26 120.77 2bw2 h ALA 44 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2bw2 h ALA 44 Cb 1.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2bw2 h ALA 44 CO 0.10 -0.83 -0.53 0.78 0.00 0.00 0.00 179.25 178.78 2bw2 h GLY 45 N 0.16 0.61 -2.29 0.00 0.00 -1.84 -3.44 103.07 96.26 2bw2 h GLY 45 Ca 0.43 -0.70 -0.53 0.00 0.00 0.00 0.00 47.33 46.53 2bw2 h GLY 45 CO -0.08 0.63 0.50 -0.98 0.00 0.00 0.00 176.54 176.61 2bw2 s TRP 46 N -4.04 2.40 -0.34 5.60 0.52 -0.22 -4.94 118.94 117.90 2bw2 s TRP 46 Ca -0.07 1.49 -0.28 0.00 0.02 0.00 0.00 56.10 57.25 2bw2 s TRP 46 Cb 0.11 -3.55 0.02 0.00 -1.15 0.00 0.00 33.47 28.90 2bw2 s TRP 46 CO 0.84 -2.33 1.04 0.99 0.02 0.00 0.00 176.95 177.51 2bw2 s THR 47 N -1.51 4.51 -0.45 2.01 2.01 0.11 -4.83 115.64 117.48 2bw2 s THR 47 Ca 0.75 1.55 -0.28 0.00 0.31 0.00 0.00 61.69 64.03 2bw2 s THR 47 Cb -0.33 -4.41 -0.00 0.00 0.01 0.00 0.00 72.50 67.77 2bw2 s THR 47 CO 0.36 -0.53 1.61 -0.22 -0.69 0.00 0.00 174.62 175.15 2bw2 s LEU 48 N 3.67 3.47 -0.15 4.42 1.98 -1.26 -1.13 118.68 129.67 2bw2 s LEU 48 Ca 0.44 0.77 -0.25 0.00 -2.89 0.00 0.00 54.13 52.19 2bw2 s LEU 48 Cb -0.12 -3.25 -0.22 0.00 0.66 0.00 0.00 46.19 43.26 2bw2 s LEU 48 CO 0.18 -1.74 0.60 0.58 -1.89 0.00 0.00 176.35 174.07 2bw2 h VAL 49 N 6.62 1.47 -2.82 1.68 2.07 -0.87 -3.49 116.25 120.91 2bw2 h VAL 49 Ca -0.29 -2.19 0.01 0.00 0.82 0.00 0.00 66.70 65.04 2bw2 h VAL 49 Cb 1.13 2.87 -0.13 0.00 -1.52 0.00 0.00 31.29 33.64 2bw2 h VAL 49 CO 1.11 0.50 0.27 -1.83 0.02 0.00 0.00 177.57 177.64 2bw2 s GLU 50 N -2.20 1.18 -0.06 1.57 -1.05 -1.06 -5.00 118.70 112.08 2bw2 s GLU 50 Ca -0.19 -0.41 -0.07 0.00 -0.15 0.00 0.00 54.97 54.14 2bw2 s GLU 50 Cb -0.01 0.54 0.02 0.00 -0.44 0.00 0.00 34.13 34.24 2bw2 s GLU 50 CO 0.61 -0.51 0.19 1.14 0.95 0.00 0.00 175.26 177.64 2bw2 s GLN 51 N -3.54 0.31 0.23 -4.83 -2.07 -1.26 -0.12 119.66 108.37 2bw2 s GLN 51 Ca 0.02 0.12 -0.00 0.00 -1.82 0.00 0.00 55.36 53.67 2bw2 s GLN 51 Cb -0.01 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 2bw2 s GLN 51 CO -0.12 -0.05 0.18 -1.59 -1.32 0.00 0.00 175.29 172.40 2bw2 s LYS 52 N -0.27 1.33 0.56 9.60 -2.85 0.54 -5.01 119.74 123.65 2bw2 s LYS 52 Ca -0.04 -1.67 0.37 0.00 -1.00 0.00 0.00 55.97 53.64 2bw2 s LYS 52 Cb -0.03 0.30 1.51 0.00 -2.06 0.00 0.00 37.83 37.55 2bw2 s LYS 52 CO 0.01 -0.46 1.71 -0.22 0.10 0.00 0.00 175.35 176.49 2bw2 h LYS 53 N 2.51 0.00 0.00 1.78 1.63 -2.02 -2.12 116.57 118.35 2bw2 h LYS 53 Ca -0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2bw2 h LYS 53 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2bw2 h LYS 53 CO 0.49 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.90 2bw2 n GLY 54 N -1.76 -0.60 3.02 5.01 0.00 -1.26 -4.90 105.19 104.70 2bw2 n GLY 54 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.13 -0.23 -0.05 1.61 6.14 -0.80 -0.41 117.35 123.48 2bw2 s TYR 55 Ca 0.00 0.59 0.04 0.00 0.64 0.00 0.00 57.07 58.34 2bw2 s TYR 55 Cb 0.00 0.02 0.00 0.00 0.42 0.00 0.00 41.96 42.40 2bw2 s TYR 55 CO 0.00 -0.16 -0.15 0.08 0.64 0.00 0.00 175.55 175.96 2bw2 s VAL 56 N 0.77 1.28 -0.28 3.14 1.01 0.07 -0.34 120.40 126.05 2bw2 s VAL 56 Ca -0.05 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 2bw2 s VAL 56 Cb -0.07 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 2bw2 s VAL 56 CO -0.04 0.38 0.08 -0.22 0.00 0.00 0.00 175.10 175.30 2bw2 s LEU 57 N 0.19 3.71 0.14 3.92 2.96 0.83 -1.26 118.68 129.16 2bw2 s LEU 57 Ca -0.06 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 2bw2 s LEU 57 Cb -0.12 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2bw2 s LEU 57 CO 0.02 -0.13 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.35 2bw2 s PHE 58 N 1.56 1.96 0.01 5.38 0.08 -0.45 -0.12 117.98 126.40 2bw2 s PHE 58 Ca 0.04 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.71 2bw2 s PHE 58 Cb -0.16 -1.03 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2bw2 s PHE 58 CO 0.03 0.30 -0.10 -0.98 -0.10 0.00 0.00 175.22 174.38 2bw2 s ARG 59 N -2.26 0.72 -0.05 0.44 1.70 -0.29 -0.46 118.95 118.76 2bw2 s ARG 59 Ca 0.12 -0.48 -0.02 0.00 -0.47 0.00 0.00 55.73 54.89 2bw2 s ARG 59 Cb -0.09 -0.68 0.03 0.00 -0.57 0.00 0.00 34.95 33.65 2bw2 s ARG 59 CO 0.06 0.18 0.05 0.21 -1.08 0.00 0.00 175.30 174.71 2bw2 s LYS 60 N -0.62 0.06 -0.11 3.89 2.47 0.85 0.06 119.74 126.35 2bw2 s LYS 60 Ca 0.01 0.31 0.02 0.00 -1.56 0.00 0.00 55.97 54.76 2bw2 s LYS 60 Cb -0.05 -0.59 -0.01 0.00 -1.46 0.00 0.00 37.83 35.72 2bw2 s LYS 60 CO 0.00 -0.31 -0.18 1.14 0.16 0.00 0.00 175.35 176.15 2bw2 s GLN 61 N 2.07 3.14 0.02 4.03 -2.07 -1.26 -3.02 119.66 122.58 2bw2 s GLN 61 Ca 0.04 -0.78 0.02 0.00 -1.82 0.00 0.00 55.36 52.82 2bw2 s GLN 61 Cb -0.12 -2.45 -0.04 0.00 -1.09 0.00 0.00 33.01 29.31 2bw2 s GLN 61 CO -0.03 0.24 0.01 0.00 -1.32 0.00 0.00 175.29 174.19 2bw2 s MET 62 N 0.25 2.78 -1.16 9.60 0.23 -1.15 -4.92 119.30 124.93 2bw2 s MET 62 Ca -0.12 -0.64 -0.20 0.00 -1.03 0.00 0.00 55.69 53.69 2bw2 s MET 62 Cb -0.16 -2.67 0.06 0.00 -1.53 0.00 0.00 34.83 30.53 2bw2 s MET 62 CO 0.07 0.61 1.59 0.34 -2.03 0.00 0.00 175.02 175.59 2bw2 s ASP 63 N -1.77 6.68 0.15 -1.18 2.15 -1.26 -4.48 116.67 116.96 2bw2 s ASP 63 Ca 0.22 -1.98 -0.24 0.00 0.43 0.00 0.00 52.55 50.98 2bw2 s ASP 63 Cb -0.12 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.01 2bw2 s ASP 63 CO 0.13 -1.32 1.04 -0.62 -0.17 0.00 0.00 175.17 174.23 2bw2 s ASP 64 N 4.55 -0.06 -0.00 -0.34 2.15 -1.26 -5.05 116.67 116.66 2bw2 s ASP 64 Ca 0.50 -0.53 0.01 0.00 0.43 0.00 0.00 52.55 52.97 2bw2 s ASP 64 Cb 0.02 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 2bw2 s ASP 64 CO -0.01 -0.89 0.06 2.30 -0.17 0.00 0.00 175.17 176.46 2bw2 n ILE 65 N -0.61 0.00 0.00 4.11 -5.35 -1.26 -1.85 119.36 114.40 2bw2 n ILE 65 Ca -0.04 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2bw2 n ILE 65 Cb 0.60 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2bw2 n ILE 65 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2bw2 n SER 66 N -1.12 0.00 0.13 7.28 7.64 -1.26 -4.59 113.62 121.70 2bw2 n SER 66 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 2bw2 n SER 66 Cb 0.02 0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 2bw2 n SER 66 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2bw2 h PRO 67 N 0.00 -0.33 -0.07 1.43 0.13 -2.02 -3.29 132.00 127.84 2bw2 h PRO 67 Ca 0.00 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.17 2bw2 h PRO 67 Cb 0.00 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 2bw2 h PRO 67 CO 0.00 0.01 0.10 1.25 -0.23 0.00 0.00 178.00 179.13 2bw2 h LEU 68 N -0.72 0.00 -2.18 1.56 7.12 -2.02 -1.14 115.31 117.94 2bw2 h LEU 68 Ca -0.03 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 2bw2 h LEU 68 Cb 0.49 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 2bw2 h LEU 68 CO 0.06 0.00 -0.06 0.28 -0.13 0.00 0.00 178.44 178.59 2bw2 h SER 69 N 0.00 0.00 0.95 1.25 0.02 -1.82 -1.08 113.55 112.86 2bw2 h SER 69 Ca 0.03 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 2bw2 h SER 69 Cb 0.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2bw2 h SER 69 CO -0.00 0.06 -0.95 0.11 -1.14 0.00 0.00 176.83 174.91 2bw2 h LYS 70 N 0.00 0.00 -0.04 3.45 6.56 -1.37 -0.05 116.57 125.12 2bw2 h LYS 70 Ca -0.00 -0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 2bw2 h LYS 70 Cb 0.23 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 2bw2 h LYS 70 CO 0.01 0.95 -0.68 -0.39 -2.06 0.00 0.00 179.45 177.28 2bw2 h VAL 71 N 0.00 1.43 -0.01 0.50 -1.51 -1.35 -2.93 116.25 112.38 2bw2 h VAL 71 Ca -0.01 -2.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.26 2bw2 h VAL 71 Cb 1.68 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 33.00 2bw2 h VAL 71 CO 0.12 0.64 -0.19 -0.46 -1.23 0.00 0.00 177.57 176.45 2bw2 n ASN 72 N -3.80 1.91 -4.40 4.19 0.23 -0.92 -4.89 115.26 107.58 2bw2 n ASN 72 Ca -0.02 -1.45 -0.50 0.00 -0.53 0.00 0.00 54.58 52.07 2bw2 n ASN 72 Cb 0.67 0.28 -0.10 0.00 -2.08 0.00 0.00 39.78 38.55 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bw2 n GLY 73 N 1.04 0.08 3.54 4.83 0.00 -0.03 -1.86 105.19 112.79 2bw2 n GLY 73 Ca 0.08 1.01 -0.10 0.00 0.00 0.00 0.00 46.02 47.01 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 7.69 -0.86 -0.19 1.61 2.02 -1.23 -2.55 117.35 123.83 2bw2 s TYR 74 Ca 1.17 1.84 -0.05 0.00 -0.37 0.00 0.00 57.07 59.66 2bw2 s TYR 74 Cb -1.07 0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 2bw2 s TYR 74 CO 0.52 -0.43 0.01 0.42 -1.57 0.00 0.00 175.55 174.50 2bw2 s ILE 75 N 1.16 4.12 -0.01 2.71 1.01 -1.24 -2.04 121.20 126.91 2bw2 s ILE 75 Ca -0.07 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2bw2 s ILE 75 Cb -0.05 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 2bw2 s ILE 75 CO -0.12 0.44 -0.10 -0.83 0.00 0.00 0.00 174.94 174.34 2bw2 s GLY 76 N 0.75 0.50 0.09 6.18 0.00 0.09 -2.22 107.32 112.71 2bw2 s GLY 76 Ca 0.01 -0.41 0.05 0.00 0.00 0.00 0.00 44.72 44.37 2bw2 s GLY 76 CO 0.02 -0.30 -0.03 -1.34 0.00 0.00 0.00 173.10 171.45 2bw2 s VAL 77 N -0.15 3.85 0.58 1.40 -7.23 -0.19 -2.10 120.40 116.57 2bw2 s VAL 77 Ca 0.02 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2bw2 s VAL 77 Cb -0.05 -2.83 0.04 0.00 0.56 0.00 0.00 36.38 34.10 2bw2 s VAL 77 CO -0.00 0.12 0.82 -0.44 -0.31 0.00 0.00 175.10 175.29 2bw2 s SER 78 N -2.27 5.20 0.58 4.85 0.01 -1.00 -4.60 113.70 116.47 2bw2 s SER 78 Ca 0.25 0.10 0.30 0.00 1.31 0.00 0.00 55.95 57.90 2bw2 s SER 78 Cb -0.12 -0.94 1.44 0.00 0.21 0.00 0.00 66.02 66.61 2bw2 s SER 78 CO 0.17 -1.23 1.84 0.44 0.41 0.00 0.00 173.24 174.88 2bw2 h ASP 79 N -0.06 0.00 -0.38 2.44 5.19 -1.98 0.48 116.42 122.10 2bw2 h ASP 79 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2bw2 h ASP 79 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2bw2 h ASP 79 CO 0.54 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.25 2bw2 n ASN 80 N -3.83 3.56 -1.97 6.45 3.02 -1.26 -4.66 115.26 116.57 2bw2 n ASN 80 Ca 0.13 -2.44 -0.12 0.00 -0.03 0.00 0.00 54.58 52.12 2bw2 n ASN 80 Cb 0.84 -0.54 0.03 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.58 0.13 3.66 7.41 0.00 0.16 -2.58 105.19 114.55 2bw2 n GLY 81 Ca 0.17 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.06 4.44 -0.01 1.61 1.01 -1.07 -0.78 120.40 122.55 2bw2 s VAL 82 Ca 0.26 1.73 -0.00 0.00 0.00 0.00 0.00 61.98 63.96 2bw2 s VAL 82 Cb -0.11 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2bw2 s VAL 82 CO 0.32 -0.22 1.88 -0.38 0.00 0.00 0.00 175.10 176.70 2bw2 n ILE 83 N 5.48 1.89 -3.45 2.22 2.08 0.45 -2.37 119.36 125.66 2bw2 n ILE 83 Ca 0.13 -0.46 -0.34 0.00 0.56 0.00 0.00 62.75 62.64 2bw2 n ILE 83 Cb 0.46 -1.44 -0.06 0.00 -0.75 0.00 0.00 39.64 37.85 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 1.85 6.71 0.18 4.38 0.01 -0.89 -4.22 113.70 121.72 2bw2 s SER 84 Ca 0.01 0.93 -0.12 0.00 1.31 0.00 0.00 55.95 58.08 2bw2 s SER 84 Cb 0.00 -2.23 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 2bw2 s SER 84 CO 0.00 0.09 0.54 0.42 0.41 0.00 0.00 173.24 174.70 2bw2 s THR 85 N -1.52 4.90 0.26 1.44 -4.23 -1.26 -0.73 115.64 114.50 2bw2 s THR 85 Ca 0.38 0.65 0.08 0.00 -1.18 0.00 0.00 61.69 61.62 2bw2 s THR 85 Cb -0.14 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 2bw2 s THR 85 CO 0.19 0.10 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.90 2bw2 s PHE 86 N -1.62 1.99 -0.60 3.99 0.40 -0.87 -0.83 117.98 120.44 2bw2 s PHE 86 Ca 0.42 -0.57 -0.21 0.00 -0.60 0.00 0.00 56.93 55.97 2bw2 s PHE 86 Cb -0.13 -1.02 0.08 0.00 0.51 0.00 0.00 43.02 42.45 2bw2 s PHE 86 CO 0.20 0.42 0.81 -1.58 0.70 0.00 0.00 175.22 175.77 2bw2 s HIS 87 N -2.86 2.87 0.00 0.36 5.65 -1.22 -4.05 115.29 116.03 2bw2 s HIS 87 Ca 0.28 -0.64 0.00 0.00 0.25 0.00 0.00 55.06 54.95 2bw2 s HIS 87 Cb 0.01 -4.04 0.00 0.00 -1.18 0.00 0.00 32.58 27.37 2bw2 s HIS 87 CO 0.11 -1.38 0.00 0.41 -0.65 0.00 0.00 174.74 173.23 2bw2 n GLY 88 N 5.26 -1.85 3.67 1.59 0.00 -0.78 -4.70 105.19 108.38 2bw2 n GLY 88 Ca -0.06 -1.40 -0.52 0.00 0.00 0.00 0.00 46.02 44.04 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 1.60 -2.30 1.61 5.12 -1.26 -4.67 116.66 116.76 2bw2 n ARG 89 Ca 0.00 0.58 -0.40 0.00 -1.93 0.00 0.00 57.85 56.11 2bw2 n ARG 89 Cb 0.00 -2.32 -0.03 0.00 -1.16 0.00 0.00 32.46 28.95 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 2.72 2.93 0.20 5.56 0.04 -1.26 -4.67 135.00 140.52 2bw2 s PRO 90 Ca 0.91 0.21 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 2bw2 s PRO 90 Cb -0.88 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 29.35 2bw2 s PRO 90 CO 0.54 -2.41 0.16 -1.83 0.04 0.00 0.00 177.00 173.50 2bw2 s GLU 91 N 6.34 1.23 0.56 4.56 -1.05 -1.26 -4.79 118.70 124.29 2bw2 s GLU 91 Ca 0.51 -1.59 0.35 0.00 -0.15 0.00 0.00 54.97 54.09 2bw2 s GLU 91 Cb -0.10 0.29 1.47 0.00 -0.44 0.00 0.00 34.13 35.35 2bw2 s GLU 91 CO 0.18 -0.41 2.02 -1.00 0.95 0.00 0.00 175.26 177.00 2bw2 h PRO 92 N 2.59 0.00 -0.00 -4.83 0.13 -2.02 -1.66 132.00 126.21 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bw2 h PRO 92 CO 0.51 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.25 2bw2 n ALA 93 N -2.09 2.60 -2.43 -0.56 0.00 -1.26 -4.77 120.51 112.01 2bw2 n ALA 93 Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 2bw2 n ALA 93 Cb 0.28 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.47 4.45 0.02 0.00 1.04 -0.62 -5.14 113.70 110.98 2bw2 s SER 94 Ca 0.31 -1.06 0.05 0.00 0.48 0.00 0.00 55.95 55.73 2bw2 s SER 94 Cb 0.20 -0.49 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 2bw2 s SER 94 CO 0.45 -0.54 -0.11 -1.83 0.98 0.00 0.00 173.24 172.19 2bw2 s GLU 95 N -3.91 2.35 0.34 4.02 -1.05 -1.26 -4.74 118.70 114.45 2bw2 s GLU 95 Ca 0.41 -0.84 -0.27 0.00 -0.15 0.00 0.00 54.97 54.13 2bw2 s GLU 95 Cb 0.04 -2.37 -0.09 0.00 -0.44 0.00 0.00 34.13 31.26 2bw2 s GLU 95 CO 0.23 0.57 1.09 -2.14 0.95 0.00 0.00 175.26 175.96 2bw2 s PRO 96 N -1.48 4.37 0.08 -4.83 0.02 -1.26 -3.43 135.00 128.47 2bw2 s PRO 96 Ca 0.17 1.69 -0.02 0.00 0.02 0.00 0.00 61.00 62.86 2bw2 s PRO 96 Cb -0.11 -2.87 -0.27 0.00 0.02 0.00 0.00 34.50 31.28 2bw2 s PRO 96 CO 0.07 0.00 1.17 0.82 -0.33 0.00 0.00 177.00 178.73 2bw2 h ILE 97 N 2.64 1.54 -2.24 2.83 2.04 -1.34 -3.48 117.51 119.50 2bw2 h ILE 97 Ca -0.48 -3.13 0.07 0.00 1.00 0.00 0.00 64.86 62.32 2bw2 h ILE 97 Cb 1.22 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 2bw2 h ILE 97 CO 0.64 0.91 0.30 0.00 0.00 0.00 0.00 178.15 180.00 2bw2 n GLN 98 N -3.50 0.44 -3.57 2.37 0.00 -1.26 -4.86 117.38 106.99 2bw2 n GLN 98 Ca -0.07 -0.95 -0.15 0.00 0.00 0.00 0.00 57.00 55.83 2bw2 n GLN 98 Cb 1.01 1.25 -0.13 0.00 0.00 0.00 0.00 30.24 32.37 2bw2 n GLN 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2bw2 s SER 99 N -2.35 0.73 0.00 2.61 1.04 -1.26 -4.25 113.70 110.23 2bw2 s SER 99 Ca 0.12 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2bw2 s SER 99 Cb -0.02 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2bw2 s SER 99 CO 0.04 -0.28 0.06 0.49 0.98 0.00 0.00 173.24 174.54 2bw2 n PHE 100 N 5.34 0.00 -3.79 5.02 3.72 -1.26 -5.00 117.46 121.49 2bw2 n PHE 100 Ca -0.06 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.25 2bw2 n PHE 100 Cb 0.50 -0.42 0.01 0.00 -0.94 0.00 0.00 39.48 38.62 2bw2 n PHE 100 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2bw2 n PHE 101 N -1.76 -1.87 -4.26 1.38 1.16 -1.26 -4.98 117.46 105.87 2bw2 n PHE 101 Ca 0.00 -1.76 -0.29 0.00 -1.87 0.00 0.00 57.45 53.54 2bw2 n PHE 101 Cb 0.00 0.68 -0.10 0.00 -1.61 0.00 0.00 39.48 38.45 2bw2 n PHE 101 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2bw2 s GLN 102 N -2.30 2.01 0.04 3.97 -0.21 -1.25 -0.42 119.66 121.50 2bw2 s GLN 102 Ca 0.18 -1.13 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 2bw2 s GLN 102 Cb -0.03 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.74 2bw2 s GLN 102 CO 0.13 0.48 -0.01 0.96 -2.12 0.00 0.00 175.29 174.73 2bw2 s ILE 103 N -1.33 0.17 -0.44 1.08 -4.36 0.04 -3.34 121.20 113.02 2bw2 s ILE 103 Ca 0.21 -1.38 -0.28 0.00 -0.26 0.00 0.00 60.65 58.94 2bw2 s ILE 103 Cb -0.10 -0.97 0.03 0.00 1.25 0.00 0.00 42.46 42.67 2bw2 s ILE 103 CO 0.13 -0.76 1.08 -1.81 0.24 0.00 0.00 174.94 173.82 2bw2 s ASP 104 N -2.27 6.68 0.39 4.36 1.01 -1.25 -2.72 116.67 122.86 2bw2 s ASP 104 Ca -0.03 0.54 0.18 0.00 0.71 0.00 0.00 52.55 53.95 2bw2 s ASP 104 Cb 0.00 -2.53 0.79 0.00 1.01 0.00 0.00 42.92 42.19 2bw2 s ASP 104 CO -0.06 -1.13 1.80 -0.07 0.21 0.00 0.00 175.17 175.93 2bw2 h LEU 105 N 10.84 0.00 -1.26 1.23 3.38 -1.86 -0.45 115.31 127.18 2bw2 h LEU 105 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2bw2 h LEU 105 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2bw2 h LEU 105 CO 1.09 0.35 0.00 1.05 0.09 0.00 0.00 178.44 181.02 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.92 -1.97 114.58 115.94 2bw2 h GLU 106 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2bw2 h GLU 106 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2bw2 h GLU 106 CO 0.05 0.00 -1.20 2.89 0.07 0.00 0.00 179.01 180.82 2bw2 n ARG 107 N -2.69 0.61 -1.81 1.06 1.85 -0.21 -4.86 116.66 110.61 2bw2 n ARG 107 Ca 0.01 0.11 -0.38 0.00 -1.00 0.00 0.00 57.85 56.59 2bw2 n ARG 107 Cb 0.24 -1.79 0.05 0.00 -1.05 0.00 0.00 32.46 29.91 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 -5.35 3.73 0.00 2.89 2.01 -0.74 -4.99 118.68 116.24 2bw2 s LEU 108 Ca -0.02 2.66 0.00 0.00 0.01 0.00 0.00 54.13 56.78 2bw2 s LEU 108 Cb 0.10 -4.44 0.00 0.00 0.01 0.00 0.00 46.19 41.86 2bw2 s LEU 108 CO 0.81 -1.72 0.87 -1.84 1.01 0.00 0.00 176.35 175.48 2bw2 n GLU 109 N -1.40 0.00 0.00 1.70 -0.00 -1.26 -4.95 120.64 114.72 2bw2 n GLU 109 Ca 0.13 0.53 0.00 0.00 -0.00 0.00 0.00 57.16 57.82 2bw2 n GLU 109 Cb 0.47 -1.37 0.00 0.00 -0.00 0.00 0.00 31.44 30.54 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2bw2 n SER 110 N -1.89 0.00 0.18 -1.84 7.64 -1.26 -4.98 113.62 111.47 2bw2 n SER 110 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 2bw2 n SER 110 Cb 0.00 0.28 0.29 0.00 -1.01 0.00 0.00 64.21 63.77 2bw2 n SER 110 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2bw2 h HIS 111 N 0.00 0.00 0.23 1.43 3.86 -1.98 -3.17 115.15 115.52 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 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 2bw2 h HIS 111 CO 0.00 0.00 -0.33 0.52 0.86 0.00 0.00 177.93 178.98 2bw2 h MET 112 N 0.00 -0.60 -0.11 2.45 2.86 -1.95 0.14 114.93 117.72 2bw2 h MET 112 Ca 0.00 0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2bw2 h MET 112 Cb 0.86 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 2bw2 h MET 112 CO 0.00 -0.40 -0.31 -0.56 1.06 0.00 0.00 176.91 176.70 2bw2 h GLN 113 N -0.62 0.21 -0.35 1.72 3.07 -1.90 -2.32 115.11 114.92 2bw2 h GLN 113 Ca 0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 58.65 58.59 2bw2 h GLN 113 Cb 0.60 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.13 2bw2 h GLN 113 CO -0.12 0.50 -0.10 0.87 0.09 0.00 0.00 178.83 180.07 2bw2 h LYS 114 N 0.18 0.59 -0.60 0.06 1.57 -1.42 0.74 116.57 117.70 2bw2 h LYS 114 Ca 0.03 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2bw2 h LYS 114 Cb 0.65 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2bw2 h LYS 114 CO 0.05 0.69 0.18 -0.91 -0.57 0.00 0.00 179.45 178.88 2bw2 h ASN 115 N 0.55 0.84 0.85 0.86 2.35 -0.19 -1.77 115.58 119.07 2bw2 h ASN 115 Ca 0.10 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 2bw2 h ASN 115 Cb 0.50 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2bw2 h ASN 115 CO 0.03 0.80 -0.51 -0.07 -1.65 0.00 0.00 177.43 176.03 2bw2 h LEU 116 N 0.88 0.00 0.17 1.61 3.38 -1.09 0.08 115.31 120.33 2bw2 h LEU 116 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2bw2 h LEU 116 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2bw2 h LEU 116 CO -0.01 0.51 -0.08 -0.07 0.09 0.00 0.00 178.44 178.88 2bw2 h LEU 117 N 0.00 -0.19 0.00 1.67 3.38 0.00 -0.49 115.31 119.69 2bw2 h LEU 117 Ca -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2bw2 h LEU 117 Cb 1.07 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2bw2 h LEU 117 CO 0.07 0.06 -0.84 2.29 0.09 0.00 0.00 178.44 180.10 2bw2 n LYS 118 N -5.09 0.33 0.00 1.13 0.00 -1.01 -4.65 118.16 108.87 2bw2 n LYS 118 Ca -0.09 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2bw2 n LYS 118 Cb 0.19 -1.66 0.00 0.00 -0.00 0.00 0.00 35.03 33.55 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 1.33 2.60 3.66 2.58 0.00 0.01 -4.17 105.19 111.20 2bw2 n GLY 119 Ca 0.02 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.19 3.52 -1.98 -0.61 -1.09 -0.94 -4.83 121.20 115.08 2bw2 s ILE 120 Ca 0.00 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 2bw2 s ILE 120 Cb 0.00 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 2bw2 s ILE 120 CO 0.00 -0.07 0.35 -0.81 -1.23 0.00 0.00 174.94 173.18 2bw2 n PRO 121 N 7.24 0.35 -3.60 2.79 -0.04 -1.26 -3.56 135.00 136.91 2bw2 n PRO 121 Ca 0.18 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2bw2 n PRO 121 Cb 0.43 -1.00 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.98 -0.29 -0.03 0.54 5.36 -1.06 -4.93 117.98 115.59 2bw2 s PHE 122 Ca 0.00 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 2bw2 s PHE 122 Cb 0.00 0.45 0.03 0.00 -0.34 0.00 0.00 43.02 43.16 2bw2 s PHE 122 CO 0.00 -0.24 0.00 0.50 -1.46 0.00 0.00 175.22 174.02 2bw2 s ARG 123 N -0.81 0.31 0.26 10.12 3.52 -1.23 -4.63 118.95 126.47 2bw2 s ARG 123 Ca 0.02 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.71 2bw2 s ARG 123 Cb -0.02 -0.50 -0.05 0.00 -1.56 0.00 0.00 34.95 32.82 2bw2 s ARG 123 CO -0.03 -0.14 0.10 0.99 -0.81 0.00 0.00 175.30 175.41 2bw2 s THR 124 N 1.08 0.50 0.13 4.11 2.01 -1.26 -4.29 115.64 117.91 2bw2 s THR 124 Ca -0.09 -2.00 -0.14 0.00 0.31 0.00 0.00 61.69 59.77 2bw2 s THR 124 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 2bw2 s THR 124 CO -0.02 0.00 1.58 0.07 -0.69 0.00 0.00 174.62 175.56 2bw2 h LYS 125 N 2.40 0.72 0.00 4.92 5.09 -1.97 0.16 116.57 127.88 2bw2 h LYS 125 Ca -0.38 -0.22 -0.19 0.00 0.09 0.00 0.00 60.65 59.95 2bw2 h LYS 125 Cb 1.25 -0.07 -0.03 0.00 0.10 0.00 0.00 32.23 33.48 2bw2 h LYS 125 CO 0.60 0.79 -1.00 0.00 -2.09 0.00 0.00 179.45 177.75 2bw2 h ALA 126 N 0.90 0.53 -0.05 0.07 0.00 -1.99 -2.82 119.26 115.89 2bw2 h ALA 126 Ca 0.12 -0.85 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 2bw2 h ALA 126 Cb 0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bw2 h ALA 126 CO 0.02 1.09 -0.69 0.93 0.00 0.00 0.00 179.25 180.59 2bw2 h GLU 127 N 0.00 0.25 0.35 0.00 5.08 -1.92 -2.00 114.58 116.34 2bw2 h GLU 127 Ca -0.06 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2bw2 h GLU 127 Cb 1.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2bw2 h GLU 127 CO 0.10 0.85 -0.17 0.35 -1.00 0.00 0.00 179.01 179.14 2bw2 h PHE 128 N 0.17 -0.43 0.00 4.33 3.04 -0.63 -2.31 116.94 121.11 2bw2 h PHE 128 Ca -0.02 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 2bw2 h PHE 128 Cb 1.24 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.89 2bw2 h PHE 128 CO 0.03 -0.11 -0.11 1.05 -2.02 0.00 0.00 178.31 177.15 2bw2 h GLU 129 N -0.79 0.00 -0.03 1.11 4.11 -1.48 0.29 114.58 117.79 2bw2 h GLU 129 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 2bw2 h GLU 129 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2bw2 h GLU 129 CO 0.08 0.11 -0.08 0.22 0.07 0.00 0.00 179.01 179.41 2bw2 h ASP 130 N 0.00 0.12 -0.17 3.06 3.58 -1.33 0.34 116.42 122.03 2bw2 h ASP 130 Ca -0.00 -0.59 -0.17 0.00 0.42 0.00 0.00 57.03 56.69 2bw2 h ASP 130 Cb 0.25 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2bw2 h ASP 130 CO 0.01 0.69 -0.52 1.62 -2.88 0.00 0.00 179.24 178.16 2bw2 h VAL 131 N -0.43 1.29 -0.14 2.25 3.04 -0.95 -3.01 116.25 118.30 2bw2 h VAL 131 Ca -0.00 -1.73 -0.10 0.00 -1.01 0.00 0.00 66.70 63.86 2bw2 h VAL 131 Cb 0.67 1.65 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 2bw2 h VAL 131 CO 0.02 0.55 -0.37 0.40 -1.01 0.00 0.00 177.57 177.16 2bw2 h ILE 132 N 0.58 1.29 0.00 3.17 5.03 -0.46 0.81 117.51 127.94 2bw2 h ILE 132 Ca 0.02 -1.43 -0.07 0.00 -0.12 0.00 0.00 64.86 63.25 2bw2 h ILE 132 Cb 1.10 1.60 -0.01 0.00 -3.03 0.00 0.00 36.82 36.48 2bw2 h ILE 132 CO 0.11 0.43 -0.36 1.05 -0.68 0.00 0.00 178.15 178.71 2bw2 h GLU 133 N 0.25 0.00 0.03 2.37 4.11 -0.89 0.85 114.58 121.30 2bw2 h GLU 133 Ca 0.03 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.20 2bw2 h GLU 133 Cb 0.77 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2bw2 h GLU 133 CO 0.06 0.36 -1.04 1.25 0.07 0.00 0.00 179.01 179.70 2bw2 h HIS 134 N 0.00 0.77 -0.41 2.06 2.76 -1.21 -2.08 115.15 117.03 2bw2 h HIS 134 Ca -0.00 -0.44 0.02 0.00 -2.20 0.00 0.00 60.37 57.75 2bw2 h HIS 134 Cb 0.74 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.60 2bw2 h HIS 134 CO 0.00 1.28 0.23 0.52 -1.30 0.00 0.00 177.93 178.66 2bw2 h MET 135 N 0.26 0.46 0.00 5.26 2.86 -0.18 -2.09 114.93 121.51 2bw2 h MET 135 Ca -0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2bw2 h MET 135 Cb 1.70 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.25 2bw2 h MET 135 CO 0.19 0.31 0.00 1.57 1.06 0.00 0.00 176.91 180.03 2bw2 h LYS 136 N 0.48 0.00 0.00 1.72 2.10 -0.84 0.25 116.57 120.28 2bw2 h LYS 136 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2bw2 h LYS 136 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2bw2 h LYS 136 CO -0.08 0.00 0.00 1.15 -2.00 0.00 0.00 179.45 178.52 2bw2 h THR 137 N 0.00 0.00 0.00 0.07 2.02 -0.65 -3.20 112.91 111.15 2bw2 h THR 137 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2bw2 h THR 137 Cb 0.52 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2bw2 h THR 137 CO 0.00 0.00 -0.66 -1.22 0.37 0.00 0.00 175.52 174.01 2bw2 n TYR 138 N -2.78 0.38 -1.30 3.16 4.01 -0.17 -4.96 117.16 115.50 2bw2 n TYR 138 Ca 0.01 0.17 -0.11 0.00 -0.16 0.00 0.00 57.90 57.81 2bw2 n TYR 138 Cb 0.27 -0.56 -0.05 0.00 -0.31 0.00 0.00 39.34 38.70 2bw2 n TYR 138 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2bw2 n SER 139 N -4.23 -3.06 0.00 7.72 3.41 -0.10 -4.94 113.62 112.42 2bw2 n SER 139 Ca -0.09 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2bw2 n SER 139 Cb 0.34 -2.87 0.00 0.00 -0.26 0.00 0.00 64.21 61.42 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49