#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 4.71 0.47 0.00 2.12 -1.26 -5.02 118.70 119.72 2bw2 s GLU 2 Ca 0.00 1.70 0.08 0.00 0.36 0.00 0.00 54.97 57.11 2bw2 s GLU 2 Cb 0.00 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 31.19 2bw2 s GLU 2 CO 0.00 0.31 0.54 0.14 -0.54 0.00 0.00 175.26 175.71 2bw2 s VAL 3 N -1.13 2.56 0.32 3.70 -7.23 -1.26 -5.10 120.40 112.26 2bw2 s VAL 3 Ca 0.43 -1.16 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 2bw2 s VAL 3 Cb -0.30 -2.72 -0.09 0.00 0.56 0.00 0.00 36.38 33.84 2bw2 s VAL 3 CO 0.38 0.00 0.72 -1.83 -0.31 0.00 0.00 175.10 174.06 2bw2 s GLU 4 N -4.35 3.98 0.00 4.82 -1.05 -1.26 -5.07 118.70 115.77 2bw2 s GLU 4 Ca 0.52 0.63 0.00 0.00 -0.15 0.00 0.00 54.97 55.97 2bw2 s GLU 4 Cb -0.06 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 2bw2 s GLU 4 CO 0.31 0.16 0.00 0.72 0.95 0.00 0.00 175.26 177.41 2bw2 n HIS 5 N -0.38 0.00 0.21 4.83 8.25 -1.26 -4.99 115.22 121.87 2bw2 n HIS 5 Ca 0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 2bw2 n HIS 5 Cb 0.53 0.00 0.37 0.00 1.12 0.00 0.00 29.99 32.01 2bw2 n HIS 5 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2bw2 h TYR 6 N 0.93 0.00 -3.91 4.41 5.03 -1.99 -3.43 116.97 118.01 2bw2 h TYR 6 Ca 0.00 0.00 -0.47 0.00 2.58 0.00 0.00 58.73 60.84 2bw2 h TYR 6 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 2bw2 h TYR 6 CO 0.00 0.27 0.36 -1.21 -1.32 0.00 0.00 178.16 176.26 2bw2 s GLU 7 N -3.53 4.50 0.93 1.82 2.02 -1.26 -4.99 118.70 118.18 2bw2 s GLU 7 Ca 0.01 1.34 -0.12 0.00 0.02 0.00 0.00 54.97 56.22 2bw2 s GLU 7 Cb 0.10 -2.71 0.15 0.00 0.10 0.00 0.00 34.13 31.76 2bw2 s GLU 7 CO 0.66 0.19 1.09 -1.25 0.02 0.00 0.00 175.26 175.98 2bw2 s PRO 8 N -2.21 1.01 -0.17 0.39 0.04 -1.26 -4.79 135.00 128.01 2bw2 s PRO 8 Ca 0.52 0.73 0.01 0.00 0.04 0.00 0.00 61.00 62.30 2bw2 s PRO 8 Cb -0.18 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.60 2bw2 s PRO 8 CO 0.23 -2.39 -0.15 -1.17 0.04 0.00 0.00 177.00 173.57 2bw2 s LEU 9 N -6.29 1.95 -0.54 -3.56 1.98 0.17 -4.85 118.68 107.54 2bw2 s LEU 9 Ca 0.64 -0.63 -0.28 0.00 -2.89 0.00 0.00 54.13 50.97 2bw2 s LEU 9 Cb -0.18 -1.27 0.03 0.00 0.66 0.00 0.00 46.19 45.43 2bw2 s LEU 9 CO 0.57 -0.06 1.14 -1.10 -1.89 0.00 0.00 176.35 175.00 2bw2 s GLN 10 N 1.41 3.57 -0.18 1.98 -0.21 -1.26 -0.54 119.66 124.44 2bw2 s GLN 10 Ca 0.03 0.31 -0.06 0.00 0.02 0.00 0.00 55.36 55.66 2bw2 s GLN 10 Cb -0.14 -3.98 -0.04 0.00 1.00 0.00 0.00 33.01 29.86 2bw2 s GLN 10 CO -0.11 -1.54 0.03 0.08 -2.12 0.00 0.00 175.29 171.64 2bw2 s VAL 11 N 4.63 4.48 -0.41 1.09 1.01 0.78 -4.76 120.40 127.22 2bw2 s VAL 11 Ca 0.43 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 2bw2 s VAL 11 Cb -0.08 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.32 2bw2 s VAL 11 CO 0.27 0.47 0.30 -2.28 0.00 0.00 0.00 175.10 173.85 2bw2 s HIS 12 N 0.42 3.24 -0.12 5.22 2.46 0.63 -0.69 115.29 126.45 2bw2 s HIS 12 Ca 0.01 -0.63 -0.04 0.00 0.47 0.00 0.00 55.06 54.88 2bw2 s HIS 12 Cb -0.13 -2.60 -0.03 0.00 -0.13 0.00 0.00 32.58 29.69 2bw2 s HIS 12 CO 0.01 -0.60 0.02 0.14 -2.47 0.00 0.00 174.74 171.84 2bw2 s VAL 13 N 1.67 4.43 -0.30 0.89 -7.23 0.89 -0.43 120.40 120.33 2bw2 s VAL 13 Ca 0.05 -0.19 -0.09 0.00 -1.81 0.00 0.00 61.98 59.94 2bw2 s VAL 13 Cb -0.19 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 2bw2 s VAL 13 CO 0.10 0.56 0.14 -1.58 -0.31 0.00 0.00 175.10 174.01 2bw2 s GLN 14 N -0.49 3.40 -0.36 4.82 0.74 -0.22 -0.81 119.66 126.74 2bw2 s GLN 14 Ca 0.09 -0.67 -0.10 0.00 0.05 0.00 0.00 55.36 54.73 2bw2 s GLN 14 Cb -0.12 -3.53 0.03 0.00 1.10 0.00 0.00 33.01 30.49 2bw2 s GLN 14 CO 0.02 -0.37 0.18 -0.51 -0.55 0.00 0.00 175.29 174.06 2bw2 s LEU 15 N 1.62 4.60 0.17 3.68 1.43 0.57 -0.91 118.68 129.83 2bw2 s LEU 15 Ca 0.05 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2bw2 s LEU 15 Cb -0.17 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 2bw2 s LEU 15 CO 0.06 -0.36 0.42 -1.61 0.23 0.00 0.00 176.35 175.09 2bw2 s GLU 16 N 1.52 3.66 -0.27 1.70 2.02 0.31 -0.39 118.70 127.26 2bw2 s GLU 16 Ca 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.00 2bw2 s GLU 16 Cb -0.19 -2.80 0.08 0.00 0.10 0.00 0.00 34.13 31.32 2bw2 s GLU 16 CO 0.06 0.43 0.03 0.15 0.02 0.00 0.00 175.26 175.94 2bw2 s LYS 17 N -2.71 1.11 -0.15 1.61 -0.14 0.23 -0.19 119.74 119.50 2bw2 s LYS 17 Ca 0.43 -1.04 -0.19 0.00 -1.36 0.00 0.00 55.97 53.80 2bw2 s LYS 17 Cb -0.12 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.62 2bw2 s LYS 17 CO 0.24 -0.79 0.52 0.08 -0.76 0.00 0.00 175.35 174.64 2bw2 s VAL 18 N 1.49 5.13 0.34 3.17 1.01 -1.10 -1.41 120.40 129.03 2bw2 s VAL 18 Ca 0.03 1.02 0.07 0.00 0.00 0.00 0.00 61.98 63.10 2bw2 s VAL 18 Cb -0.18 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2bw2 s VAL 18 CO -0.14 0.25 0.39 -0.31 0.00 0.00 0.00 175.10 175.30 2bw2 s TYR 19 N 1.09 2.99 0.20 5.22 1.51 0.19 -4.19 117.35 124.35 2bw2 s TYR 19 Ca 0.27 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.95 2bw2 s TYR 19 Cb -0.15 -1.94 0.13 0.00 -0.11 0.00 0.00 41.96 39.89 2bw2 s TYR 19 CO 0.11 0.04 1.77 -0.07 -1.11 0.00 0.00 175.55 176.29 2bw2 h LEU 20 N 1.04 1.00 0.00 -1.29 3.38 -0.92 -2.32 115.31 116.19 2bw2 h LEU 20 Ca -0.45 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2bw2 h LEU 20 Cb 1.26 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2bw2 h LEU 20 CO 0.55 0.88 0.00 -0.90 0.09 0.00 0.00 178.44 179.06 2bw2 n ASP 21 N -4.36 0.00 0.00 -0.43 5.75 -1.26 -4.82 116.55 111.43 2bw2 n ASP 21 Ca 0.06 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 2bw2 n ASP 21 Cb 0.17 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 2bw2 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bw2 n GLY 22 N -0.04 0.85 3.75 6.12 0.00 -0.87 -4.69 105.19 110.30 2bw2 n GLY 22 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.81 7.08 -0.17 1.61 2.15 -1.26 -4.31 116.67 119.95 2bw2 s ASP 23 Ca 0.00 2.30 0.00 0.00 0.43 0.00 0.00 52.55 55.29 2bw2 s ASP 23 Cb 0.00 -2.62 0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2bw2 s ASP 23 CO 0.00 -0.35 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.88 2bw2 s VAL 24 N -0.42 1.38 -0.01 1.11 1.01 -1.25 -0.64 120.40 121.57 2bw2 s VAL 24 Ca 0.51 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 2bw2 s VAL 24 Cb -0.34 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2bw2 s VAL 24 CO 0.40 0.20 0.96 -0.55 0.00 0.00 0.00 175.10 176.10 2bw2 s SER 25 N 1.52 7.33 -0.24 3.32 0.15 -0.50 -4.80 113.70 120.48 2bw2 s SER 25 Ca 0.01 1.62 -0.06 0.00 0.70 0.00 0.00 55.95 58.21 2bw2 s SER 25 Cb -0.15 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.58 2bw2 s SER 25 CO -0.08 -0.26 0.04 -0.63 1.20 0.00 0.00 173.24 173.51 2bw2 s ILE 26 N 1.04 4.00 0.08 6.45 -1.09 -1.26 -0.60 121.20 129.82 2bw2 s ILE 26 Ca 0.51 -0.29 0.07 0.00 -2.23 0.00 0.00 60.65 58.70 2bw2 s ILE 26 Cb -0.21 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 2bw2 s ILE 26 CO 0.27 0.35 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.52 2bw2 s GLU 27 N 1.57 2.14 -0.17 2.79 2.56 0.48 -4.96 118.70 123.10 2bw2 s GLU 27 Ca 0.06 -0.99 0.01 0.00 0.00 0.00 0.00 54.97 54.05 2bw2 s GLU 27 Cb -0.15 -2.30 0.03 0.00 2.00 0.00 0.00 34.13 33.72 2bw2 s GLU 27 CO 0.01 0.52 -0.13 -1.01 -0.56 0.00 0.00 175.26 174.10 2bw2 s HIS 28 N -1.13 2.34 0.08 5.30 3.76 -1.26 -0.32 115.29 124.06 2bw2 s HIS 28 Ca 0.19 -1.43 0.06 0.00 -0.15 0.00 0.00 55.06 53.74 2bw2 s HIS 28 Cb -0.11 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 2bw2 s HIS 28 CO 0.11 -0.72 -0.17 0.15 -0.85 0.00 0.00 174.74 173.26 2bw2 s LYS 29 N 1.43 1.00 -0.18 1.40 1.02 0.01 -4.99 119.74 119.42 2bw2 s LYS 29 Ca 0.02 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.02 2bw2 s LYS 29 Cb -0.14 -1.11 0.03 0.00 -0.52 0.00 0.00 37.83 36.09 2bw2 s LYS 29 CO -0.10 0.26 -0.14 -3.38 -0.92 0.00 0.00 175.35 171.07 2bw2 s HIS 30 N -1.13 2.41 0.04 3.18 -3.43 -1.26 -0.07 115.29 115.03 2bw2 s HIS 30 Ca 0.02 -1.47 0.03 0.00 -0.80 0.00 0.00 55.06 52.85 2bw2 s HIS 30 Cb -0.10 -1.68 -0.02 0.00 -1.43 0.00 0.00 32.58 29.35 2bw2 s HIS 30 CO 0.03 -0.73 -0.10 -1.83 -2.00 0.00 0.00 174.74 170.11 2bw2 s GLU 31 N 1.41 0.64 -0.28 -0.38 -1.05 0.13 -4.93 118.70 114.24 2bw2 s GLU 31 Ca 0.02 -0.72 -0.16 0.00 -0.15 0.00 0.00 54.97 53.96 2bw2 s GLU 31 Cb -0.14 -0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 32.99 2bw2 s GLU 31 CO -0.10 0.12 0.41 0.15 0.95 0.00 0.00 175.26 176.78 2bw2 s LYS 32 N -1.35 3.94 0.02 -4.83 1.02 -1.25 -0.15 119.74 117.14 2bw2 s LYS 32 Ca -0.05 0.01 0.02 0.00 0.02 0.00 0.00 55.97 55.97 2bw2 s LYS 32 Cb -0.09 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 2bw2 s LYS 32 CO 0.01 -0.35 0.03 0.14 -0.92 0.00 0.00 175.35 174.26 2bw2 s VAL 33 N 2.13 4.32 -0.08 3.17 -7.23 0.30 -4.75 120.40 118.27 2bw2 s VAL 33 Ca 0.16 -0.63 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 2bw2 s VAL 33 Cb -0.16 -2.98 -0.25 0.00 0.56 0.00 0.00 36.38 33.55 2bw2 s VAL 33 CO 0.10 0.30 0.53 -0.26 -0.31 0.00 0.00 175.10 175.47 2bw2 h PHE 34 N 4.01 0.24 -3.22 2.82 0.04 -1.88 0.48 116.94 119.43 2bw2 h PHE 34 Ca -0.48 -0.18 -0.54 0.00 2.80 0.00 0.00 57.97 59.57 2bw2 h PHE 34 Cb 1.17 -0.01 -0.36 0.00 2.20 0.00 0.00 35.95 38.95 2bw2 h PHE 34 CO 0.62 1.38 -0.81 0.45 -0.60 0.00 0.00 178.31 179.35 2bw2 s SER 35 N -6.57 2.18 0.45 2.17 0.15 -1.26 -4.31 113.70 106.51 2bw2 s SER 35 Ca -0.13 -0.33 0.19 0.00 0.70 0.00 0.00 55.95 56.38 2bw2 s SER 35 Cb 0.07 -0.90 1.07 0.00 -1.71 0.00 0.00 66.02 64.56 2bw2 s SER 35 CO 0.80 -0.07 1.96 0.24 1.20 0.00 0.00 173.24 177.37 2bw2 h MET 36 N 7.89 0.00 -0.04 5.44 2.86 -1.93 -0.78 114.93 128.37 2bw2 h MET 36 Ca -0.31 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.25 2bw2 h MET 36 Cb 1.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 2bw2 h MET 36 CO 0.44 0.22 -0.32 0.22 1.06 0.00 0.00 176.91 178.53 2bw2 h ASP 37 N 0.00 0.06 0.40 1.22 3.58 -1.99 0.31 116.42 120.00 2bw2 h ASP 37 Ca -0.00 -0.02 -0.21 0.00 0.42 0.00 0.00 57.03 57.22 2bw2 h ASP 37 Cb 0.45 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 2bw2 h ASP 37 CO 0.03 0.39 -0.88 -0.78 -2.88 0.00 0.00 179.24 175.11 2bw2 h ASP 38 N 0.06 0.44 -0.41 2.28 3.58 -1.60 -2.44 116.42 118.32 2bw2 h ASP 38 Ca 0.01 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 2bw2 h ASP 38 Cb 0.60 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2bw2 h ASP 38 CO 0.04 1.13 0.19 0.15 -2.88 0.00 0.00 179.24 177.87 2bw2 h PHE 39 N 0.20 0.60 -0.62 0.28 3.04 -0.13 0.13 116.94 120.44 2bw2 h PHE 39 Ca -0.06 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.80 2bw2 h PHE 39 Cb 1.51 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.80 2bw2 h PHE 39 CO 0.05 0.50 0.17 -1.49 -2.02 0.00 0.00 178.31 175.52 2bw2 h TRP 40 N 0.52 0.98 -0.42 0.41 -0.00 -0.96 -1.14 115.95 115.33 2bw2 h TRP 40 Ca 0.14 -0.09 -0.11 0.00 -0.00 0.00 0.00 58.89 58.83 2bw2 h TRP 40 Cb 0.14 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 28.99 2bw2 h TRP 40 CO -0.01 0.79 -0.18 0.00 -0.00 0.00 0.00 178.44 179.05 2bw2 h ALA 41 N 1.27 0.89 -0.53 1.49 0.00 -1.13 0.22 119.26 121.47 2bw2 h ALA 41 Ca 0.20 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2bw2 h ALA 41 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2bw2 h ALA 41 CO -0.01 0.63 0.14 0.00 0.00 0.00 0.00 179.25 180.01 2bw2 h ALA 42 N 1.08 1.25 -0.28 0.00 0.00 0.13 -2.66 119.26 118.78 2bw2 h ALA 42 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2bw2 h ALA 42 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2bw2 h ALA 42 CO 0.05 0.53 0.00 0.66 0.00 0.00 0.00 179.25 180.49 2bw2 n TYR 43 N -4.29 0.96 -1.79 0.00 4.02 -0.51 -4.88 117.16 110.67 2bw2 n TYR 43 Ca 0.04 -0.85 -0.20 0.00 -0.01 0.00 0.00 57.90 56.88 2bw2 n TYR 43 Cb 0.21 -0.31 -0.07 0.00 -0.02 0.00 0.00 39.34 39.16 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bw2 s ALA 44 N -2.71 1.08 0.00 -0.72 0.00 0.76 -1.03 121.76 119.13 2bw2 s ALA 44 Ca 0.42 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2bw2 s ALA 44 Cb 0.33 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.83 2bw2 s ALA 44 CO 0.10 -5.75 0.00 0.41 0.00 0.00 0.00 175.76 170.51 2bw2 n GLY 45 N 6.51 2.18 3.76 0.00 0.00 -1.26 -5.03 105.19 111.35 2bw2 n GLY 45 Ca 0.43 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2bw2 n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bw2 s TRP 46 N 0.00 2.45 -0.33 1.61 0.52 -0.20 -4.93 118.94 118.06 2bw2 s TRP 46 Ca 0.00 1.33 -0.29 0.00 0.02 0.00 0.00 56.10 57.16 2bw2 s TRP 46 Cb 0.00 -3.83 0.01 0.00 -1.15 0.00 0.00 33.47 28.50 2bw2 s TRP 46 CO 0.00 -2.78 1.18 0.99 0.02 0.00 0.00 176.95 176.36 2bw2 s THR 47 N -1.26 4.31 -0.42 2.01 2.01 0.14 -4.81 115.64 117.62 2bw2 s THR 47 Ca 0.65 1.48 -0.28 0.00 0.31 0.00 0.00 61.69 63.85 2bw2 s THR 47 Cb -0.41 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 67.78 2bw2 s THR 47 CO 0.51 -0.54 1.53 -0.22 -0.69 0.00 0.00 174.62 175.22 2bw2 s LEU 48 N 4.05 3.53 -0.13 4.42 1.98 -1.26 -1.23 118.68 130.04 2bw2 s LEU 48 Ca 0.50 0.85 -0.20 0.00 -2.89 0.00 0.00 54.13 52.39 2bw2 s LEU 48 Cb -0.14 -3.42 -0.25 0.00 0.66 0.00 0.00 46.19 43.04 2bw2 s LEU 48 CO 0.21 -1.59 0.53 0.58 -1.89 0.00 0.00 176.35 174.19 2bw2 h VAL 49 N 6.56 1.18 -2.44 1.68 2.07 -1.24 -3.49 116.25 120.57 2bw2 h VAL 49 Ca -0.29 -2.34 0.09 0.00 0.82 0.00 0.00 66.70 64.98 2bw2 h VAL 49 Cb 1.12 2.76 -0.13 0.00 -1.52 0.00 0.00 31.29 33.52 2bw2 h VAL 49 CO 1.09 0.59 0.43 -1.83 0.02 0.00 0.00 177.57 177.87 2bw2 s GLU 50 N -2.39 0.99 -0.00 1.57 -1.05 -1.08 -5.03 118.70 111.70 2bw2 s GLU 50 Ca -0.22 -0.41 -0.03 0.00 -0.15 0.00 0.00 54.97 54.17 2bw2 s GLU 50 Cb 0.03 0.43 -0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2bw2 s GLU 50 CO 0.71 -0.44 0.05 1.14 0.95 0.00 0.00 175.26 177.68 2bw2 s GLN 51 N -3.29 0.26 -0.35 -4.83 -2.07 -1.26 -0.14 119.66 107.99 2bw2 s GLN 51 Ca 0.06 -0.27 0.02 0.00 -1.82 0.00 0.00 55.36 53.34 2bw2 s GLN 51 Cb -0.01 0.10 0.15 0.00 -1.09 0.00 0.00 33.01 32.16 2bw2 s GLN 51 CO -0.08 -0.05 0.32 -1.59 -1.32 0.00 0.00 175.29 172.58 2bw2 s LYS 52 N -0.83 0.53 0.00 9.60 -2.85 0.75 -5.00 119.74 121.94 2bw2 s LYS 52 Ca -0.09 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.12 2bw2 s LYS 52 Cb -0.06 -0.81 0.00 0.00 -2.06 0.00 0.00 37.83 34.90 2bw2 s LYS 52 CO 0.00 -1.15 0.00 1.17 0.10 0.00 0.00 175.35 175.47 2bw2 n LYS 53 N 4.50 0.00 0.00 1.78 0.00 -1.26 -0.67 118.16 122.51 2bw2 n LYS 53 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.45 2bw2 n LYS 53 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.43 2bw2 n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bw2 n GLY 54 N 0.00 -0.15 3.35 3.14 0.00 -1.26 -4.92 105.19 105.35 2bw2 n GLY 54 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2bw2 n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bw2 s TYR 55 N -1.95 2.72 -0.04 1.61 6.14 0.16 -0.27 117.35 125.72 2bw2 s TYR 55 Ca 0.08 -0.66 0.04 0.00 0.64 0.00 0.00 57.07 57.17 2bw2 s TYR 55 Cb 0.10 -1.77 -0.00 0.00 0.42 0.00 0.00 41.96 40.71 2bw2 s TYR 55 CO 0.44 -0.20 -0.14 0.08 0.64 0.00 0.00 175.55 176.37 2bw2 s VAL 56 N 0.16 1.20 -0.28 3.14 1.01 0.43 -0.18 120.40 125.88 2bw2 s VAL 56 Ca -0.09 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2bw2 s VAL 56 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.21 2bw2 s VAL 56 CO 0.05 0.35 0.01 -0.22 0.00 0.00 0.00 175.10 175.29 2bw2 s LEU 57 N 0.07 3.57 0.11 3.92 2.96 0.81 -1.05 118.68 129.06 2bw2 s LEU 57 Ca -0.03 -0.85 0.10 0.00 -0.22 0.00 0.00 54.13 53.12 2bw2 s LEU 57 Cb -0.10 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2bw2 s LEU 57 CO 0.01 -0.17 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.27 2bw2 s PHE 58 N 1.39 2.10 0.03 5.38 0.08 -0.08 -0.64 117.98 126.23 2bw2 s PHE 58 Ca 0.01 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.71 2bw2 s PHE 58 Cb -0.17 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.10 2bw2 s PHE 58 CO -0.01 0.26 -0.14 -0.98 -0.10 0.00 0.00 175.22 174.25 2bw2 s ARG 59 N -1.88 1.00 -0.09 0.44 1.70 -0.36 -0.53 118.95 119.23 2bw2 s ARG 59 Ca 0.11 -0.69 -0.01 0.00 -0.47 0.00 0.00 55.73 54.67 2bw2 s ARG 59 Cb -0.10 -1.00 0.03 0.00 -0.57 0.00 0.00 34.95 33.30 2bw2 s ARG 59 CO 0.05 0.26 -0.04 0.21 -1.08 0.00 0.00 175.30 174.70 2bw2 s LYS 60 N -0.92 1.04 -0.33 3.89 2.47 0.73 0.26 119.74 126.89 2bw2 s LYS 60 Ca 0.03 -0.06 0.03 0.00 -1.56 0.00 0.00 55.97 54.41 2bw2 s LYS 60 Cb -0.07 -1.26 0.10 0.00 -1.46 0.00 0.00 37.83 35.14 2bw2 s LYS 60 CO 0.01 -0.28 0.05 1.14 0.16 0.00 0.00 175.35 176.43 2bw2 s GLN 61 N 1.83 1.40 -0.47 4.03 -2.07 -1.26 -2.71 119.66 120.42 2bw2 s GLN 61 Ca 0.05 -1.75 0.06 0.00 -1.82 0.00 0.00 55.36 51.90 2bw2 s GLN 61 Cb -0.12 -3.03 0.18 0.00 -1.09 0.00 0.00 33.01 28.95 2bw2 s GLN 61 CO -0.07 -0.93 0.55 0.00 -1.32 0.00 0.00 175.29 173.52 2bw2 n MET 62 N 4.34 0.38 -3.92 9.60 0.00 -1.26 -4.94 117.12 121.32 2bw2 n MET 62 Ca 0.02 -2.58 0.02 0.00 0.00 0.00 0.00 57.70 55.17 2bw2 n MET 62 Cb 0.42 -1.56 0.01 0.00 0.00 0.00 0.00 33.22 32.09 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 0.41 -0.00 0.00 3.17 -1.08 -1.26 -5.11 116.67 112.79 2bw2 s ASP 63 Ca 0.32 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 2bw2 s ASP 63 Cb 0.03 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.65 2bw2 s ASP 63 CO -0.12 -0.33 0.00 -0.90 0.52 0.00 0.00 175.17 174.33 2bw2 n ASP 64 N -0.98 0.00 -4.75 -0.34 5.68 -1.26 -4.56 116.55 110.33 2bw2 n ASP 64 Ca 0.01 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.02 2bw2 n ASP 64 Cb 0.59 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.51 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2bw2 s ILE 65 N 0.83 4.32 0.72 2.12 -4.36 -1.26 -0.33 121.20 123.24 2bw2 s ILE 65 Ca 0.00 -1.00 -0.15 0.00 -0.26 0.00 0.00 60.65 59.24 2bw2 s ILE 65 Cb 0.00 -3.13 0.03 0.00 1.25 0.00 0.00 42.46 40.61 2bw2 s ILE 65 CO 0.00 0.01 1.20 -0.94 0.24 0.00 0.00 174.94 175.45 2bw2 s SER 66 N -2.70 4.32 0.50 4.36 1.04 -1.26 -4.90 113.70 115.06 2bw2 s SER 66 Ca 0.29 2.33 0.18 0.00 0.48 0.00 0.00 55.95 59.23 2bw2 s SER 66 Cb -0.11 -2.59 1.26 0.00 0.10 0.00 0.00 66.02 64.68 2bw2 s SER 66 CO 0.21 -2.17 2.10 1.55 0.98 0.00 0.00 173.24 175.91 2bw2 h PRO 67 N -0.20 0.00 -0.24 4.02 0.13 -2.01 -2.58 132.00 131.11 2bw2 h PRO 67 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2bw2 h PRO 67 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2bw2 h PRO 67 CO 0.50 0.08 -0.34 1.25 -0.23 0.00 0.00 178.00 179.27 2bw2 h LEU 68 N 0.00 0.53 -1.81 1.56 7.12 -2.01 -2.73 115.31 117.96 2bw2 h LEU 68 Ca -0.00 -0.21 0.06 0.00 0.13 0.00 0.00 57.88 57.86 2bw2 h LEU 68 Cb 0.15 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 2bw2 h LEU 68 CO 0.01 0.83 0.25 0.77 -0.13 0.00 0.00 178.44 180.17 2bw2 h SER 69 N 0.43 0.21 0.70 1.25 4.64 -1.82 0.86 113.55 119.82 2bw2 h SER 69 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2bw2 h SER 69 Cb 0.80 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2bw2 h SER 69 CO 0.06 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.45 2bw2 n LYS 70 N -4.48 0.26 -0.05 4.77 4.01 -1.03 -0.48 118.16 121.16 2bw2 n LYS 70 Ca 0.04 0.01 -0.17 0.00 -0.51 0.00 0.00 58.31 57.69 2bw2 n LYS 70 Cb 0.27 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.15 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 -1.37 1.62 -2.40 -0.18 0.24 0.27 -4.83 118.33 111.69 2bw2 n VAL 71 Ca 0.11 -0.67 -0.02 0.00 -2.04 0.00 0.00 64.34 61.72 2bw2 n VAL 71 Cb 0.27 -1.39 0.05 0.00 -1.47 0.00 0.00 33.84 31.29 2bw2 n VAL 71 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2bw2 n ASN 72 N -3.27 -0.76 -4.74 -1.34 6.94 -1.05 -5.06 115.26 105.98 2bw2 n ASN 72 Ca -0.34 -1.55 -0.41 0.00 -0.02 0.00 0.00 54.58 52.26 2bw2 n ASN 72 Cb 1.04 0.33 -0.03 0.00 -2.36 0.00 0.00 39.78 38.77 2bw2 n ASN 72 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2bw2 s GLY 73 N -0.62 2.60 -0.21 4.83 0.00 0.37 -1.22 107.32 113.08 2bw2 s GLY 73 Ca 0.04 1.11 -0.05 0.00 0.00 0.00 0.00 44.72 45.82 2bw2 s GLY 73 CO -0.06 1.99 0.40 -0.19 0.00 0.00 0.00 173.10 175.24 2bw2 s TYR 74 N -0.21 -0.79 -0.16 1.90 2.02 -1.11 -3.38 117.35 115.63 2bw2 s TYR 74 Ca 0.54 1.27 -0.29 0.00 -0.37 0.00 0.00 57.07 58.22 2bw2 s TYR 74 Cb -0.37 0.19 -0.01 0.00 -0.40 0.00 0.00 41.96 41.38 2bw2 s TYR 74 CO 0.41 -0.55 1.16 0.42 -1.57 0.00 0.00 175.55 175.41 2bw2 s ILE 75 N 2.58 4.45 -0.06 2.71 1.01 -1.26 -0.55 121.20 130.09 2bw2 s ILE 75 Ca 0.03 1.75 0.03 0.00 0.00 0.00 0.00 60.65 62.47 2bw2 s ILE 75 Cb -0.13 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.22 2bw2 s ILE 75 CO -0.13 -0.11 -0.14 -0.83 0.00 0.00 0.00 174.94 173.73 2bw2 s GLY 76 N 1.55 0.83 0.04 6.18 0.00 0.56 -1.71 107.32 114.77 2bw2 s GLY 76 Ca 0.51 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.73 2bw2 s GLY 76 CO 0.14 -0.08 0.04 -1.34 0.00 0.00 0.00 173.10 171.85 2bw2 s VAL 77 N 0.39 4.35 0.59 1.40 -7.23 -0.35 -2.25 120.40 117.30 2bw2 s VAL 77 Ca -0.10 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2bw2 s VAL 77 Cb -0.14 -3.02 0.04 0.00 0.56 0.00 0.00 36.38 33.83 2bw2 s VAL 77 CO 0.03 0.25 0.84 -0.44 -0.31 0.00 0.00 175.10 175.47 2bw2 s SER 78 N -1.96 5.15 0.58 4.85 0.01 -1.00 -4.51 113.70 116.82 2bw2 s SER 78 Ca 0.24 0.10 0.30 0.00 1.31 0.00 0.00 55.95 57.90 2bw2 s SER 78 Cb -0.12 -0.92 1.40 0.00 0.21 0.00 0.00 66.02 66.59 2bw2 s SER 78 CO 0.16 -1.27 1.77 0.44 0.41 0.00 0.00 173.24 174.75 2bw2 h ASP 79 N -0.11 0.00 -0.55 2.44 5.19 -1.99 0.48 116.42 121.89 2bw2 h ASP 79 Ca -0.43 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.96 2bw2 h ASP 79 Cb 1.30 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 2bw2 h ASP 79 CO 0.54 0.00 0.03 0.59 -3.12 0.00 0.00 179.24 177.28 2bw2 n ASN 80 N -3.74 5.30 -1.38 6.45 3.02 -1.26 -4.85 115.26 118.80 2bw2 n ASN 80 Ca 0.15 -2.89 -0.08 0.00 -0.03 0.00 0.00 54.58 51.73 2bw2 n ASN 80 Cb 0.96 -0.68 0.02 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.50 0.28 3.65 7.41 0.00 0.17 -3.02 105.19 114.18 2bw2 n GLY 81 Ca 0.27 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.86 4.21 -0.02 1.61 1.01 -1.05 -0.27 120.40 123.02 2bw2 s VAL 82 Ca 0.14 1.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 2bw2 s VAL 82 Cb -0.06 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2bw2 s VAL 82 CO 0.18 -0.23 1.94 -0.38 0.00 0.00 0.00 175.10 176.61 2bw2 n ILE 83 N 5.63 2.00 -2.85 2.22 2.08 0.23 -2.37 119.36 126.31 2bw2 n ILE 83 Ca 0.14 -0.55 -0.23 0.00 0.56 0.00 0.00 62.75 62.67 2bw2 n ILE 83 Cb 0.45 -1.45 0.02 0.00 -0.75 0.00 0.00 39.64 37.91 2bw2 n ILE 83 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2bw2 s SER 84 N 1.80 5.71 0.02 4.38 0.15 -0.95 -3.54 113.70 121.27 2bw2 s SER 84 Ca 0.02 0.30 0.04 0.00 0.70 0.00 0.00 55.95 57.02 2bw2 s SER 84 Cb 0.02 -1.46 -0.03 0.00 -1.71 0.00 0.00 66.02 62.83 2bw2 s SER 84 CO -0.00 -0.82 -0.10 0.42 1.20 0.00 0.00 173.24 173.94 2bw2 s THR 85 N -2.65 3.42 0.12 6.45 -4.23 -1.26 -0.32 115.64 117.16 2bw2 s THR 85 Ca 0.50 -0.92 0.06 0.00 -1.18 0.00 0.00 61.69 60.16 2bw2 s THR 85 Cb -0.10 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2bw2 s THR 85 CO 0.39 0.35 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.31 2bw2 s PHE 86 N -1.00 1.48 -0.56 3.99 0.40 0.28 -3.12 117.98 119.44 2bw2 s PHE 86 Ca 0.17 -0.51 -0.21 0.00 -0.60 0.00 0.00 56.93 55.78 2bw2 s PHE 86 Cb -0.11 -0.78 0.07 0.00 0.51 0.00 0.00 43.02 42.71 2bw2 s PHE 86 CO 0.08 0.16 0.78 -3.38 0.70 0.00 0.00 175.22 173.56 2bw2 s HIS 87 N -1.87 2.90 0.00 0.36 -3.43 -1.26 -2.76 115.29 109.24 2bw2 s HIS 87 Ca 0.08 -0.50 0.00 0.00 -0.80 0.00 0.00 55.06 53.84 2bw2 s HIS 87 Cb -0.06 -3.91 0.00 0.00 -1.43 0.00 0.00 32.58 27.18 2bw2 s HIS 87 CO 0.04 -1.29 0.00 0.41 -2.00 0.00 0.00 174.74 171.90 2bw2 n GLY 88 N 5.21 -3.09 3.68 -1.38 0.00 -0.36 -4.91 105.19 104.34 2bw2 n GLY 88 Ca -0.05 -1.97 -0.46 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.13 2.34 -2.02 1.61 5.12 -1.26 -4.61 116.66 117.71 2bw2 n ARG 89 Ca 0.00 0.85 -0.41 0.00 -1.93 0.00 0.00 57.85 56.36 2bw2 n ARG 89 Cb 0.00 -2.68 -0.03 0.00 -1.16 0.00 0.00 32.46 28.59 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 2.43 3.09 0.16 5.56 0.04 -1.26 -4.89 135.00 140.13 2bw2 s PRO 90 Ca 0.84 1.15 0.05 0.00 0.04 0.00 0.00 61.00 63.09 2bw2 s PRO 90 Cb -0.63 -4.26 -0.05 0.00 0.04 0.00 0.00 34.50 29.61 2bw2 s PRO 90 CO 0.42 -2.16 -0.11 -1.83 0.04 0.00 0.00 177.00 173.36 2bw2 s GLU 91 N 6.13 1.14 0.37 4.56 -1.05 -1.26 -4.84 118.70 123.75 2bw2 s GLU 91 Ca 0.76 -1.49 0.27 0.00 -0.15 0.00 0.00 54.97 54.36 2bw2 s GLU 91 Cb -0.19 -0.75 1.22 0.00 -0.44 0.00 0.00 34.13 33.98 2bw2 s GLU 91 CO 0.29 0.10 1.82 -1.00 0.95 0.00 0.00 175.26 177.42 2bw2 h PRO 92 N 2.72 0.00 -0.00 -4.83 0.13 -2.01 -0.19 132.00 127.82 2bw2 h PRO 92 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2bw2 h PRO 92 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bw2 h PRO 92 CO 0.63 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.25 2bw2 n ALA 93 N -1.87 2.78 -2.58 -0.56 0.00 -1.26 -4.79 120.51 112.24 2bw2 n ALA 93 Ca 0.01 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 2bw2 n ALA 93 Cb 0.20 -1.34 0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.19 1.29 -4.14 0.00 2.88 -0.08 -5.11 113.62 107.26 2bw2 n SER 94 Ca 0.11 -2.11 -0.22 0.00 -1.33 0.00 0.00 58.87 55.32 2bw2 n SER 94 Cb 0.30 -0.68 -0.15 0.00 -0.75 0.00 0.00 64.21 62.94 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 -5.18 1.16 0.08 -1.46 -1.05 -1.26 -4.94 118.70 106.06 2bw2 s GLU 95 Ca 0.67 -0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 54.56 2bw2 s GLU 95 Cb -0.04 -1.15 -0.06 0.00 -0.44 0.00 0.00 34.13 32.45 2bw2 s GLU 95 CO 0.45 0.31 1.09 -1.25 0.95 0.00 0.00 175.26 176.81 2bw2 s PRO 96 N -0.63 4.53 0.05 -4.83 0.05 -1.26 -4.67 135.00 128.25 2bw2 s PRO 96 Ca 0.05 1.64 -0.01 0.00 0.05 0.00 0.00 61.00 62.73 2bw2 s PRO 96 Cb -0.07 -3.36 -0.27 0.00 0.05 0.00 0.00 34.50 30.86 2bw2 s PRO 96 CO 0.00 -0.07 1.04 0.82 0.05 0.00 0.00 177.00 178.84 2bw2 h ILE 97 N 4.32 1.38 -2.22 0.56 2.04 -1.88 -3.48 117.51 118.23 2bw2 h ILE 97 Ca -0.42 -3.02 -0.01 0.00 1.00 0.00 0.00 64.86 62.40 2bw2 h ILE 97 Cb 1.21 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 40.13 2bw2 h ILE 97 CO 0.76 0.86 0.04 0.00 0.00 0.00 0.00 178.15 179.81 2bw2 n GLN 98 N -3.44 0.20 -3.53 2.37 0.00 -1.26 -4.79 117.38 106.93 2bw2 n GLN 98 Ca -0.10 -0.44 -0.17 0.00 0.00 0.00 0.00 57.00 56.29 2bw2 n GLN 98 Cb 1.02 0.52 -0.13 0.00 0.00 0.00 0.00 30.24 31.65 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 -1.39 1.16 -0.06 2.61 0.01 -1.26 -4.58 113.70 110.19 2bw2 s SER 99 Ca 0.03 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.20 2bw2 s SER 99 Cb -0.01 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.63 2bw2 s SER 99 CO 0.03 -0.31 0.19 -0.26 0.41 0.00 0.00 173.24 173.30 2bw2 h PHE 100 N 8.31 -0.13 -4.07 2.43 0.04 -1.96 -3.50 116.94 118.07 2bw2 h PHE 100 Ca -0.16 -0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.29 2bw2 h PHE 100 Cb 1.14 0.04 -0.08 0.00 2.20 0.00 0.00 35.95 39.26 2bw2 h PHE 100 CO 0.19 -0.08 -0.22 1.19 -0.60 0.00 0.00 178.31 178.79 2bw2 n PHE 101 N -4.23 -1.16 -3.85 -0.55 3.72 -1.26 -4.98 117.46 105.15 2bw2 n PHE 101 Ca -0.02 -2.27 -0.25 0.00 -0.05 0.00 0.00 57.45 54.86 2bw2 n PHE 101 Cb 0.06 0.43 -0.17 0.00 -0.94 0.00 0.00 39.48 38.85 2bw2 n PHE 101 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2bw2 s GLN 102 N -2.88 1.15 0.16 -1.08 0.74 -1.25 -0.60 119.66 115.89 2bw2 s GLN 102 Ca 0.29 -0.10 0.07 0.00 0.05 0.00 0.00 55.36 55.67 2bw2 s GLN 102 Cb -0.00 -1.33 -0.04 0.00 1.10 0.00 0.00 33.01 32.74 2bw2 s GLN 102 CO 0.21 -0.28 -0.14 0.96 -0.55 0.00 0.00 175.29 175.49 2bw2 s ILE 103 N 1.82 1.51 -0.40 -2.34 -4.36 0.63 -2.82 121.20 115.24 2bw2 s ILE 103 Ca 0.05 -1.95 -0.29 0.00 -0.26 0.00 0.00 60.65 58.20 2bw2 s ILE 103 Cb -0.12 -1.79 0.02 0.00 1.25 0.00 0.00 42.46 41.82 2bw2 s ILE 103 CO -0.07 -0.50 1.10 -1.81 0.24 0.00 0.00 174.94 173.89 2bw2 s ASP 104 N -2.86 6.77 0.39 4.36 1.11 0.89 -2.87 116.67 124.46 2bw2 s ASP 104 Ca 0.15 0.73 0.15 0.00 0.18 0.00 0.00 52.55 53.77 2bw2 s ASP 104 Cb -0.03 -2.54 0.79 0.00 1.07 0.00 0.00 42.92 42.21 2bw2 s ASP 104 CO 0.04 -1.06 1.84 -0.07 1.18 0.00 0.00 175.17 177.10 2bw2 h LEU 105 N 10.64 0.00 -0.04 1.23 3.38 -1.87 -0.43 115.31 128.23 2bw2 h LEU 105 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 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 1.08 0.35 0.00 -1.84 0.09 0.00 0.00 178.44 178.12 2bw2 n GLU 106 N -3.97 0.02 0.06 1.13 0.28 -1.26 -1.77 120.64 115.12 2bw2 n GLU 106 Ca -0.02 0.14 0.10 0.00 -0.16 0.00 0.00 57.16 57.22 2bw2 n GLU 106 Cb 0.40 -1.54 -0.07 0.00 1.43 0.00 0.00 31.44 31.67 2bw2 n GLU 106 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2bw2 n ARG 107 N -1.58 0.63 -0.59 3.44 0.63 -0.20 -4.90 116.66 114.09 2bw2 n ARG 107 Ca 0.05 0.03 -0.30 0.00 -0.92 0.00 0.00 57.85 56.71 2bw2 n ARG 107 Cb 0.26 -1.72 0.21 0.00 0.45 0.00 0.00 32.46 31.66 2bw2 n ARG 107 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2bw2 n LEU 108 N -2.57 -0.54 0.03 6.15 7.99 -0.73 -5.01 117.00 122.32 2bw2 n LEU 108 Ca -0.03 0.01 -0.01 0.00 -0.01 0.00 0.00 56.01 55.97 2bw2 n LEU 108 Cb 0.60 -1.24 -0.01 0.00 -0.11 0.00 0.00 43.42 42.67 2bw2 n LEU 108 CO 0.42 -3.06 0.34 1.05 -1.51 0.00 0.00 177.39 174.62 2bw2 h GLU 109 N -2.30 -0.07 0.00 3.23 -0.00 -1.91 -3.50 114.58 110.04 2bw2 h GLU 109 Ca -0.55 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.82 2bw2 h GLU 109 Cb 1.32 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.09 2bw2 h GLU 109 CO 0.44 -0.04 0.00 -1.13 -0.00 0.00 0.00 179.01 178.27 2bw2 n SER 110 N -2.26 0.00 0.07 3.06 3.41 -1.26 -4.99 113.62 111.66 2bw2 n SER 110 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.73 2bw2 n SER 110 Cb 0.03 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.42 2bw2 n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bw2 n HIS 111 N -0.67 0.66 -0.02 7.33 1.44 -1.26 -3.79 115.22 118.91 2bw2 n HIS 111 Ca 0.00 0.19 -0.09 0.00 -2.01 0.00 0.00 57.72 55.82 2bw2 n HIS 111 Cb 0.00 -0.81 -0.02 0.00 0.12 0.00 0.00 29.99 29.28 2bw2 n HIS 111 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2bw2 h MET 112 N 0.00 -0.17 -0.50 -1.40 2.86 -1.97 -1.62 114.93 112.13 2bw2 h MET 112 Ca 0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2bw2 h MET 112 Cb 0.67 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 2bw2 h MET 112 CO 0.00 -0.11 0.26 -0.56 1.06 0.00 0.00 176.91 177.56 2bw2 h GLN 113 N -0.17 0.69 0.00 1.72 3.07 -1.89 -2.06 115.11 116.46 2bw2 h GLN 113 Ca 0.11 -0.07 -0.10 0.00 0.09 0.00 0.00 58.65 58.68 2bw2 h GLN 113 Cb 0.33 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 2bw2 h GLN 113 CO -0.28 0.52 -0.47 0.87 0.09 0.00 0.00 178.83 179.57 2bw2 h LYS 114 N 0.70 0.00 -0.05 0.06 1.57 -1.58 -1.26 116.57 116.01 2bw2 h LYS 114 Ca 0.18 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 2bw2 h LYS 114 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2bw2 h LYS 114 CO -0.03 0.47 -0.63 -0.97 -0.57 0.00 0.00 179.45 177.72 2bw2 h ASN 115 N 0.00 0.21 -0.04 0.86 -1.24 -0.62 -2.20 115.58 112.54 2bw2 h ASN 115 Ca -0.00 -0.12 -0.14 0.00 0.71 0.00 0.00 56.30 56.74 2bw2 h ASN 115 Cb 1.01 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 2bw2 h ASN 115 CO 0.06 0.78 -0.42 -0.07 -1.29 0.00 0.00 177.43 176.49 2bw2 h LEU 116 N 0.13 0.61 -0.37 0.34 3.38 -1.02 0.64 115.31 119.03 2bw2 h LEU 116 Ca -0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2bw2 h LEU 116 Cb 1.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2bw2 h LEU 116 CO 0.09 0.96 0.22 -0.07 0.09 0.00 0.00 178.44 179.73 2bw2 h LEU 117 N 0.47 0.45 0.00 1.67 3.38 -0.81 -0.89 115.31 119.58 2bw2 h LEU 117 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2bw2 h LEU 117 Cb 0.93 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2bw2 h LEU 117 CO 0.08 0.38 -0.59 0.07 0.09 0.00 0.00 178.44 178.47 2bw2 h LYS 118 N 0.48 0.00 0.00 1.13 2.10 -1.33 -3.42 116.57 115.52 2bw2 h LYS 118 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2bw2 h LYS 118 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2bw2 h LYS 118 CO -0.02 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.84 2bw2 n GLY 119 N 1.15 2.76 3.69 0.07 0.00 0.21 -4.24 105.19 108.84 2bw2 n GLY 119 Ca 0.02 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.13 3.45 0.00 -0.61 -1.09 -0.70 -4.79 121.20 117.34 2bw2 s ILE 120 Ca 0.00 0.90 -0.00 0.00 -2.23 0.00 0.00 60.65 59.32 2bw2 s ILE 120 Cb 0.00 -3.58 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2bw2 s ILE 120 CO 0.00 0.01 1.19 -0.81 -1.23 0.00 0.00 174.94 174.10 2bw2 n PRO 121 N 5.12 0.59 -0.24 2.79 -0.04 -1.26 -3.93 135.00 138.03 2bw2 n PRO 121 Ca 0.13 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2bw2 n PRO 121 Cb 0.43 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2bw2 n PRO 121 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2bw2 n PHE 122 N 1.73 -0.65 -3.92 0.54 7.35 -1.22 -5.07 117.46 116.22 2bw2 n PHE 122 Ca 0.01 0.35 -0.10 0.00 -0.76 0.00 0.00 57.45 56.94 2bw2 n PHE 122 Cb 0.30 -1.47 -0.11 0.00 0.35 0.00 0.00 39.48 38.55 2bw2 n PHE 122 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2bw2 s ARG 123 N -5.24 0.38 0.99 -4.13 0.52 -1.26 -5.08 118.95 105.12 2bw2 s ARG 123 Ca 0.00 -0.46 -0.16 0.00 -0.52 0.00 0.00 55.73 54.59 2bw2 s ARG 123 Cb 0.00 0.15 0.21 0.00 0.52 0.00 0.00 34.95 35.83 2bw2 s ARG 123 CO 0.00 -0.08 1.29 0.99 0.02 0.00 0.00 175.30 177.52 2bw2 s THR 124 N -1.32 1.95 0.26 0.02 2.01 -1.26 -4.60 115.64 112.70 2bw2 s THR 124 Ca -0.14 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 2bw2 s THR 124 Cb -0.08 -2.94 0.25 0.00 0.01 0.00 0.00 72.50 69.74 2bw2 s THR 124 CO 0.00 0.00 1.88 0.07 -0.69 0.00 0.00 174.62 175.88 2bw2 h LYS 125 N -1.74 1.10 0.00 4.92 5.09 -1.98 0.39 116.57 124.35 2bw2 h LYS 125 Ca -0.45 -0.07 -0.21 0.00 0.09 0.00 0.00 60.65 60.02 2bw2 h LYS 125 Cb 1.24 -0.25 -0.03 0.00 0.10 0.00 0.00 32.23 33.30 2bw2 h LYS 125 CO 0.39 0.72 -1.10 0.00 -2.09 0.00 0.00 179.45 177.37 2bw2 h ALA 126 N 1.44 0.48 -0.02 0.07 0.00 -1.98 -2.17 119.26 117.07 2bw2 h ALA 126 Ca 0.41 -0.97 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 2bw2 h ALA 126 Cb 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2bw2 h ALA 126 CO -0.17 1.23 -0.72 0.93 0.00 0.00 0.00 179.25 180.53 2bw2 h GLU 127 N 0.00 0.10 0.12 0.00 5.08 -1.60 -1.24 114.58 117.03 2bw2 h GLU 127 Ca -0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2bw2 h GLU 127 Cb 1.77 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2bw2 h GLU 127 CO 0.11 0.77 -0.06 0.35 -1.00 0.00 0.00 179.01 179.18 2bw2 h PHE 128 N 0.07 -0.15 0.00 4.33 3.04 -0.18 -2.58 116.94 121.47 2bw2 h PHE 128 Ca -0.01 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2bw2 h PHE 128 Cb 1.27 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.82 2bw2 h PHE 128 CO 0.01 0.24 -0.02 1.05 -2.02 0.00 0.00 178.31 177.57 2bw2 h GLU 129 N -0.57 0.00 -0.14 1.11 4.11 -1.29 0.52 114.58 118.31 2bw2 h GLU 129 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2bw2 h GLU 129 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2bw2 h GLU 129 CO 0.03 0.02 -0.01 0.22 0.07 0.00 0.00 179.01 179.34 2bw2 h ASP 130 N 0.00 0.25 -0.02 3.06 1.82 -1.10 0.18 116.42 120.61 2bw2 h ASP 130 Ca -0.00 -0.32 -0.18 0.00 -0.39 0.00 0.00 57.03 56.14 2bw2 h ASP 130 Cb 0.32 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.26 2bw2 h ASP 130 CO 0.00 0.52 -0.60 1.62 -1.61 0.00 0.00 179.24 179.17 2bw2 h VAL 131 N -0.02 1.32 -0.36 2.25 3.04 -0.98 -2.79 116.25 118.71 2bw2 h VAL 131 Ca 0.04 -1.86 -0.09 0.00 -1.01 0.00 0.00 66.70 63.78 2bw2 h VAL 131 Cb 0.39 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 2bw2 h VAL 131 CO 0.01 0.58 -0.16 0.40 -1.01 0.00 0.00 177.57 177.39 2bw2 h ILE 132 N 0.47 1.26 -0.01 3.17 5.03 -0.84 0.59 117.51 127.18 2bw2 h ILE 132 Ca -0.00 -1.19 -0.09 0.00 -0.12 0.00 0.00 64.86 63.45 2bw2 h ILE 132 Cb 1.18 1.16 -0.01 0.00 -3.03 0.00 0.00 36.82 36.11 2bw2 h ILE 132 CO 0.12 0.40 -0.41 1.05 -0.68 0.00 0.00 178.15 178.62 2bw2 h GLU 133 N 0.59 0.02 -0.21 2.37 4.11 -0.62 0.20 114.58 121.05 2bw2 h GLU 133 Ca 0.10 -0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.32 2bw2 h GLU 133 Cb 0.61 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2bw2 h GLU 133 CO 0.04 0.43 -0.66 1.25 0.07 0.00 0.00 179.01 180.15 2bw2 h HIS 134 N 0.02 1.02 -0.54 2.06 2.76 -1.11 -1.95 115.15 117.41 2bw2 h HIS 134 Ca -0.00 -0.41 -0.00 0.00 -2.20 0.00 0.00 60.37 57.76 2bw2 h HIS 134 Cb 0.74 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 2bw2 h HIS 134 CO 0.00 1.22 0.33 0.52 -1.30 0.00 0.00 177.93 178.70 2bw2 h MET 135 N 0.57 0.73 0.00 5.26 2.86 -0.24 -2.38 114.93 121.73 2bw2 h MET 135 Ca -0.02 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2bw2 h MET 135 Cb 1.27 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2bw2 h MET 135 CO 0.14 0.53 0.00 1.57 1.06 0.00 0.00 176.91 180.21 2bw2 h LYS 136 N 0.73 0.00 0.00 1.72 2.10 -0.90 -0.51 116.57 119.71 2bw2 h LYS 136 Ca 0.19 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.84 2bw2 h LYS 136 Cb -0.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2bw2 h LYS 136 CO -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 179.45 177.38 2bw2 h THR 137 N 0.00 0.12 0.00 0.07 1.03 -0.80 -3.27 112.91 110.06 2bw2 h THR 137 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2bw2 h THR 137 Cb 0.56 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 2bw2 h THR 137 CO 0.00 0.03 -0.28 -1.22 -0.01 0.00 0.00 175.52 174.05 2bw2 n TYR 138 N -3.18 0.12 -1.99 0.00 4.01 -0.53 -4.96 117.16 110.63 2bw2 n TYR 138 Ca -0.01 0.05 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 2bw2 n TYR 138 Cb 0.25 -0.26 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 2bw2 n TYR 138 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2bw2 n SER 139 N -3.12 -3.48 0.00 7.72 7.64 -0.31 -4.93 113.62 117.13 2bw2 n SER 139 Ca -0.04 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2bw2 n SER 139 Cb 0.14 -3.10 0.00 0.00 -1.01 0.00 0.00 64.21 60.25 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64