#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 1.98 0.64 0.00 -1.05 -1.26 -4.93 118.70 114.08 2bw2 s GLU 2 Ca 0.00 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 52.98 2bw2 s GLU 2 Cb 0.00 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 2bw2 s GLU 2 CO 0.00 -0.82 0.00 1.33 0.95 0.00 0.00 175.26 176.72 2bw2 n VAL 3 N -0.61 -1.20 -2.94 1.83 0.24 -1.26 -4.81 118.33 109.59 2bw2 n VAL 3 Ca 0.02 1.04 -0.43 0.00 -2.04 0.00 0.00 64.34 62.94 2bw2 n VAL 3 Cb 0.61 -1.59 -0.05 0.00 -1.47 0.00 0.00 33.84 31.34 2bw2 n VAL 3 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2bw2 s GLU 4 N -4.48 3.55 0.00 7.34 -1.05 -1.26 -5.00 118.70 117.80 2bw2 s GLU 4 Ca 0.00 0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 2bw2 s GLU 4 Cb 0.00 -3.89 0.00 0.00 -0.44 0.00 0.00 34.13 29.80 2bw2 s GLU 4 CO 0.00 -1.03 0.00 0.72 0.95 0.00 0.00 175.26 175.90 2bw2 n HIS 5 N 6.67 -0.01 0.80 4.83 8.25 -1.26 -4.97 115.22 129.54 2bw2 n HIS 5 Ca 0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.62 2bw2 n HIS 5 Cb 0.48 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.99 2bw2 n HIS 5 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bw2 n TYR 6 N -0.00 0.40 -3.10 4.41 4.02 -1.26 -4.77 117.16 116.86 2bw2 n TYR 6 Ca 0.00 0.12 -0.32 0.00 -0.01 0.00 0.00 57.90 57.69 2bw2 n TYR 6 Cb 0.00 -0.63 -0.06 0.00 -0.02 0.00 0.00 39.34 38.64 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 -3.07 3.97 0.00 -0.72 2.02 -1.26 -5.10 118.70 114.54 2bw2 s GLU 7 Ca 0.11 0.64 0.00 0.00 0.02 0.00 0.00 54.97 55.74 2bw2 s GLU 7 Cb 0.16 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.96 2bw2 s GLU 7 CO 0.62 0.13 0.00 -0.35 0.02 0.00 0.00 175.26 175.68 2bw2 n PRO 8 N -0.49 0.20 -3.85 0.39 -0.05 -1.26 -4.81 135.00 125.12 2bw2 n PRO 8 Ca 0.03 0.00 -0.27 0.00 -0.05 0.00 0.00 63.50 63.21 2bw2 n PRO 8 Cb 0.53 0.00 -0.17 0.00 -0.05 0.00 0.00 33.50 33.82 2bw2 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 2bw2 s LEU 9 N 0.00 1.30 -0.43 1.53 1.98 0.11 -4.86 118.68 118.30 2bw2 s LEU 9 Ca 0.00 -0.51 -0.29 0.00 -2.89 0.00 0.00 54.13 50.44 2bw2 s LEU 9 Cb 0.00 -0.78 0.02 0.00 0.66 0.00 0.00 46.19 46.09 2bw2 s LEU 9 CO 0.00 -0.19 1.16 -1.10 -1.89 0.00 0.00 176.35 174.33 2bw2 s GLN 10 N 1.73 3.78 -0.15 1.98 -0.21 -1.26 -0.47 119.66 125.07 2bw2 s GLN 10 Ca 0.02 0.73 -0.02 0.00 0.02 0.00 0.00 55.36 56.11 2bw2 s GLN 10 Cb -0.14 -3.88 -0.02 0.00 1.00 0.00 0.00 33.01 29.96 2bw2 s GLN 10 CO -0.07 -1.30 -0.09 0.08 -2.12 0.00 0.00 175.29 171.79 2bw2 s VAL 11 N 4.39 3.36 -0.48 1.09 1.01 0.71 -4.52 120.40 125.96 2bw2 s VAL 11 Ca 0.49 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 2bw2 s VAL 11 Cb -0.09 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 33.96 2bw2 s VAL 11 CO 0.28 0.51 0.37 -2.28 0.00 0.00 0.00 175.10 173.97 2bw2 s HIS 12 N 0.45 3.36 -0.23 5.22 2.46 0.93 -0.75 115.29 126.74 2bw2 s HIS 12 Ca -0.07 -1.62 -0.16 0.00 0.47 0.00 0.00 55.06 53.69 2bw2 s HIS 12 Cb -0.15 -3.44 -0.04 0.00 -0.13 0.00 0.00 32.58 28.82 2bw2 s HIS 12 CO 0.04 -0.96 0.40 0.08 -2.47 0.00 0.00 174.74 171.83 2bw2 s VAL 13 N 1.44 5.18 -0.30 0.89 1.01 0.14 -0.84 120.40 127.92 2bw2 s VAL 13 Ca 0.05 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 2bw2 s VAL 13 Cb -0.26 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2bw2 s VAL 13 CO 0.01 0.21 0.27 -1.58 0.00 0.00 0.00 175.10 174.01 2bw2 s GLN 14 N 1.62 3.80 -0.31 2.72 -0.44 0.43 -0.43 119.66 127.04 2bw2 s GLN 14 Ca 0.18 -0.34 -0.07 0.00 -2.50 0.00 0.00 55.36 52.63 2bw2 s GLN 14 Cb -0.15 -3.72 0.02 0.00 -1.64 0.00 0.00 33.01 27.52 2bw2 s GLN 14 CO 0.08 -0.32 0.09 -0.51 0.50 0.00 0.00 175.29 175.14 2bw2 s LEU 15 N 1.86 4.05 -0.02 3.68 1.43 0.53 -0.78 118.68 129.43 2bw2 s LEU 15 Ca 0.09 -0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 2bw2 s LEU 15 Cb -0.16 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2bw2 s LEU 15 CO 0.11 -0.25 0.49 -1.61 0.23 0.00 0.00 176.35 175.32 2bw2 s GLU 16 N 1.46 4.15 -0.34 1.70 2.02 0.09 -0.73 118.70 127.05 2bw2 s GLU 16 Ca 0.01 0.53 0.04 0.00 0.02 0.00 0.00 54.97 55.57 2bw2 s GLU 16 Cb -0.18 -3.30 0.10 0.00 0.10 0.00 0.00 34.13 30.85 2bw2 s GLU 16 CO 0.03 0.49 0.06 0.15 0.02 0.00 0.00 175.26 176.01 2bw2 s LYS 17 N -0.50 1.42 -0.52 1.61 -0.14 -0.47 -0.13 119.74 121.01 2bw2 s LYS 17 Ca 0.26 -1.83 -0.24 0.00 -1.36 0.00 0.00 55.97 52.80 2bw2 s LYS 17 Cb -0.17 -3.09 0.04 0.00 -1.68 0.00 0.00 37.83 32.93 2bw2 s LYS 17 CO 0.14 -0.95 0.90 0.08 -0.76 0.00 0.00 175.35 174.76 2bw2 s VAL 18 N 0.92 4.46 0.28 3.17 1.01 -1.08 -1.78 120.40 127.38 2bw2 s VAL 18 Ca 0.11 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 2bw2 s VAL 18 Cb -0.19 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 2bw2 s VAL 18 CO -0.09 -1.01 0.50 -0.31 0.00 0.00 0.00 175.10 174.19 2bw2 s TYR 19 N 3.77 3.48 -1.33 5.22 1.51 -1.22 -3.08 117.35 125.70 2bw2 s TYR 19 Ca 0.30 0.48 0.28 0.00 -1.01 0.00 0.00 57.07 57.13 2bw2 s TYR 19 Cb -0.13 -1.98 1.38 0.00 -0.11 0.00 0.00 41.96 41.13 2bw2 s TYR 19 CO 0.20 0.22 1.96 1.28 -1.11 0.00 0.00 175.55 178.10 2bw2 n LEU 20 N -1.06 0.00 0.14 -1.29 4.77 -0.52 -2.00 117.00 117.05 2bw2 n LEU 20 Ca -0.03 0.33 0.01 0.00 -0.03 0.00 0.00 56.01 56.29 2bw2 n LEU 20 Cb 0.54 -0.33 0.14 0.00 -2.33 0.00 0.00 43.42 41.44 2bw2 n LEU 20 CO 0.48 -0.02 0.48 -2.24 -1.33 0.00 0.00 177.39 174.76 2bw2 h ASP 21 N 0.00 0.00 0.00 -1.43 3.04 -1.75 -3.46 116.42 112.82 2bw2 h ASP 21 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2bw2 h ASP 21 Cb 0.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 2bw2 h ASP 21 CO 0.00 0.59 0.00 0.61 -2.04 0.00 0.00 179.24 178.40 2bw2 n GLY 22 N 0.66 1.68 3.63 7.15 0.00 -0.84 -4.80 105.19 112.66 2bw2 n GLY 22 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.68 6.67 -0.33 1.61 2.15 -1.26 -4.53 116.67 119.29 2bw2 s ASP 23 Ca 0.00 0.80 -0.17 0.00 0.43 0.00 0.00 52.55 53.60 2bw2 s ASP 23 Cb 0.00 -2.38 -0.01 0.00 -0.30 0.00 0.00 42.92 40.23 2bw2 s ASP 23 CO 0.00 -0.46 0.48 -0.69 -0.17 0.00 0.00 175.17 174.33 2bw2 s VAL 24 N 2.69 5.06 -0.25 1.11 1.01 -1.26 -3.38 120.40 125.38 2bw2 s VAL 24 Ca 0.30 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 2bw2 s VAL 24 Cb -0.15 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 2bw2 s VAL 24 CO 0.09 -0.13 0.85 -0.44 0.00 0.00 0.00 175.10 175.47 2bw2 s SER 25 N 1.72 6.84 -0.17 3.32 0.01 -0.73 -4.80 113.70 119.90 2bw2 s SER 25 Ca 0.17 1.03 -0.19 0.00 1.31 0.00 0.00 55.95 58.27 2bw2 s SER 25 Cb -0.16 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2bw2 s SER 25 CO 0.12 -0.55 0.55 -0.63 0.41 0.00 0.00 173.24 173.14 2bw2 s ILE 26 N 2.92 5.10 0.07 1.44 -1.09 -1.26 -1.36 121.20 127.01 2bw2 s ILE 26 Ca 0.36 1.05 0.08 0.00 -2.23 0.00 0.00 60.65 59.90 2bw2 s ILE 26 Cb -0.15 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 2bw2 s ILE 26 CO 0.08 0.20 -0.21 -0.70 -1.23 0.00 0.00 174.94 173.07 2bw2 s GLU 27 N 1.42 1.31 -0.14 2.79 2.56 0.09 -4.98 118.70 121.75 2bw2 s GLU 27 Ca 0.27 -1.05 0.02 0.00 0.00 0.00 0.00 54.97 54.20 2bw2 s GLU 27 Cb -0.16 -1.50 0.01 0.00 2.00 0.00 0.00 34.13 34.48 2bw2 s GLU 27 CO 0.11 0.37 -0.21 -1.01 -0.56 0.00 0.00 175.26 173.95 2bw2 s HIS 28 N -0.95 2.58 -0.05 5.30 3.76 -1.26 -0.35 115.29 124.31 2bw2 s HIS 28 Ca 0.08 -1.29 0.03 0.00 -0.15 0.00 0.00 55.06 53.72 2bw2 s HIS 28 Cb -0.09 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.84 2bw2 s HIS 28 CO 0.03 -0.60 -0.14 0.15 -0.85 0.00 0.00 174.74 173.33 2bw2 s LYS 29 N 0.85 1.70 -0.16 1.40 -0.14 0.43 -5.00 119.74 118.81 2bw2 s LYS 29 Ca -0.07 -0.50 0.01 0.00 -1.36 0.00 0.00 55.97 54.05 2bw2 s LYS 29 Cb -0.15 -1.44 0.02 0.00 -1.68 0.00 0.00 37.83 34.58 2bw2 s LYS 29 CO -0.02 0.14 -0.18 -3.38 -0.76 0.00 0.00 175.35 171.14 2bw2 s HIS 30 N 0.31 2.54 0.01 3.18 -3.43 -1.26 0.24 115.29 116.89 2bw2 s HIS 30 Ca -0.09 -1.44 0.02 0.00 -0.80 0.00 0.00 55.06 52.76 2bw2 s HIS 30 Cb -0.13 -1.78 -0.01 0.00 -1.43 0.00 0.00 32.58 29.23 2bw2 s HIS 30 CO 0.03 -0.72 -0.06 -1.83 -2.00 0.00 0.00 174.74 170.16 2bw2 s GLU 31 N 1.25 0.45 -0.40 -0.38 -1.05 0.07 -4.96 118.70 113.69 2bw2 s GLU 31 Ca 0.02 -0.41 -0.13 0.00 -0.15 0.00 0.00 54.97 54.31 2bw2 s GLU 31 Cb -0.13 -0.35 0.03 0.00 -0.44 0.00 0.00 34.13 33.24 2bw2 s GLU 31 CO -0.10 0.08 0.26 0.15 0.95 0.00 0.00 175.26 176.61 2bw2 s LYS 32 N -0.71 2.87 -0.12 -4.83 1.02 -1.25 -0.21 119.74 116.51 2bw2 s LYS 32 Ca -0.03 -1.11 -0.01 0.00 0.02 0.00 0.00 55.97 54.84 2bw2 s LYS 32 Cb -0.05 -3.86 -0.02 0.00 -0.52 0.00 0.00 37.83 33.38 2bw2 s LYS 32 CO 0.00 -0.77 -0.11 0.54 -0.92 0.00 0.00 175.35 174.10 2bw2 s VAL 33 N 1.60 3.30 0.22 3.17 0.11 0.37 -4.68 120.40 124.49 2bw2 s VAL 33 Ca 0.03 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 2bw2 s VAL 33 Cb -0.20 -2.39 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 2bw2 s VAL 33 CO 0.08 0.53 1.56 -0.26 -3.33 0.00 0.00 175.10 173.67 2bw2 h PHE 34 N 6.46 0.51 -3.19 1.54 0.04 -1.87 0.31 116.94 120.75 2bw2 h PHE 34 Ca -0.30 -0.18 -0.53 0.00 2.80 0.00 0.00 57.97 59.76 2bw2 h PHE 34 Cb 1.20 -0.10 -0.37 0.00 2.20 0.00 0.00 35.95 38.88 2bw2 h PHE 34 CO 0.51 0.86 -0.80 0.45 -0.60 0.00 0.00 178.31 178.73 2bw2 s SER 35 N -6.90 2.25 0.54 2.17 0.15 -1.26 -4.44 113.70 106.21 2bw2 s SER 35 Ca -0.06 -0.34 0.22 0.00 0.70 0.00 0.00 55.95 56.48 2bw2 s SER 35 Cb 0.12 -0.86 1.43 0.00 -1.71 0.00 0.00 66.02 65.00 2bw2 s SER 35 CO 0.82 -0.12 2.11 0.24 1.20 0.00 0.00 173.24 177.49 2bw2 h MET 36 N 8.17 0.00 -0.51 5.44 2.86 -1.95 -0.37 114.93 128.57 2bw2 h MET 36 Ca -0.30 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.29 2bw2 h MET 36 Cb 1.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 2bw2 h MET 36 CO 0.41 0.00 0.10 0.22 1.06 0.00 0.00 176.91 178.70 2bw2 h ASP 37 N 0.00 0.73 -0.53 1.22 3.58 -1.98 0.62 116.42 120.06 2bw2 h ASP 37 Ca 0.08 -0.13 -0.12 0.00 0.42 0.00 0.00 57.03 57.28 2bw2 h ASP 37 Cb 0.35 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2bw2 h ASP 37 CO -0.00 0.74 -0.12 -0.78 -2.88 0.00 0.00 179.24 176.20 2bw2 h ASP 38 N 0.76 1.03 -0.25 2.28 1.82 -1.49 -0.66 116.42 119.90 2bw2 h ASP 38 Ca 0.16 -0.34 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 2bw2 h ASP 38 Cb 0.31 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 2bw2 h ASP 38 CO 0.00 1.14 0.08 0.15 -1.61 0.00 0.00 179.24 179.00 2bw2 h PHE 39 N 0.91 0.40 -0.63 0.28 3.04 -1.14 0.74 116.94 120.55 2bw2 h PHE 39 Ca 0.14 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 2bw2 h PHE 39 Cb 0.68 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 2bw2 h PHE 39 CO 0.05 0.44 0.19 -1.49 -2.02 0.00 0.00 178.31 175.48 2bw2 h TRP 40 N 0.25 0.97 -0.15 0.41 -0.00 -0.65 -1.35 115.95 115.43 2bw2 h TRP 40 Ca 0.08 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.89 58.80 2bw2 h TRP 40 Cb 0.22 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.08 2bw2 h TRP 40 CO 0.00 0.78 -0.31 0.00 -0.00 0.00 0.00 178.44 178.91 2bw2 h ALA 41 N 1.29 1.19 -0.55 1.49 0.00 -0.84 0.20 119.26 122.04 2bw2 h ALA 41 Ca 0.21 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2bw2 h ALA 41 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2bw2 h ALA 41 CO -0.01 0.53 -0.10 0.00 0.00 0.00 0.00 179.25 179.67 2bw2 h ALA 42 N 1.42 0.78 -0.37 0.00 0.00 0.09 -3.08 119.26 118.10 2bw2 h ALA 42 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2bw2 h ALA 42 Cb 0.69 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bw2 h ALA 42 CO 0.05 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.63 2bw2 n TYR 43 N -4.15 1.24 -1.60 0.00 4.02 -0.60 -4.82 117.16 111.26 2bw2 n TYR 43 Ca 0.02 -0.81 -0.33 0.00 -0.01 0.00 0.00 57.90 56.77 2bw2 n TYR 43 Cb 0.40 -0.35 -0.07 0.00 -0.02 0.00 0.00 39.34 39.30 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bw2 n ALA 44 N -0.08 2.11 0.00 -0.72 0.00 0.68 -1.57 120.51 120.92 2bw2 n ALA 44 Ca 0.23 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.64 2bw2 n ALA 44 Cb 0.95 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.86 2bw2 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bw2 n GLY 45 N 5.33 1.05 3.74 0.00 0.00 -1.26 -5.04 105.19 109.01 2bw2 n GLY 45 Ca 0.46 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 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 2.27 -0.33 1.61 0.52 -0.61 -4.96 118.94 117.44 2bw2 s TRP 46 Ca 0.00 1.54 -0.26 0.00 0.02 0.00 0.00 56.10 57.40 2bw2 s TRP 46 Cb 0.00 -3.47 0.01 0.00 -1.15 0.00 0.00 33.47 28.86 2bw2 s TRP 46 CO 0.00 -2.36 0.91 0.99 0.02 0.00 0.00 176.95 176.51 2bw2 s THR 47 N -1.76 4.65 -0.43 2.01 2.01 0.55 -4.86 115.64 117.80 2bw2 s THR 47 Ca 0.76 1.32 -0.28 0.00 0.31 0.00 0.00 61.69 63.79 2bw2 s THR 47 Cb -0.30 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 67.93 2bw2 s THR 47 CO 0.38 -0.42 1.54 -0.22 -0.69 0.00 0.00 174.62 175.21 2bw2 s LEU 48 N 3.32 3.51 -0.16 4.42 1.98 -1.26 -1.09 118.68 129.40 2bw2 s LEU 48 Ca 0.38 0.81 -0.16 0.00 -2.89 0.00 0.00 54.13 52.26 2bw2 s LEU 48 Cb -0.13 -3.38 -0.23 0.00 0.66 0.00 0.00 46.19 43.11 2bw2 s LEU 48 CO 0.15 -1.62 0.35 0.58 -1.89 0.00 0.00 176.35 173.93 2bw2 h VAL 49 N 6.56 0.87 -2.53 1.68 2.07 -1.17 -3.49 116.25 120.24 2bw2 h VAL 49 Ca -0.29 -2.28 -0.04 0.00 0.82 0.00 0.00 66.70 64.91 2bw2 h VAL 49 Cb 1.12 2.45 -0.16 0.00 -1.52 0.00 0.00 31.29 33.19 2bw2 h VAL 49 CO 1.10 0.59 0.18 -1.83 0.02 0.00 0.00 177.57 177.63 2bw2 s GLU 50 N -2.45 1.15 -0.06 1.57 -1.05 -1.05 -5.01 118.70 111.80 2bw2 s GLU 50 Ca -0.25 -0.12 -0.05 0.00 -0.15 0.00 0.00 54.97 54.40 2bw2 s GLU 50 Cb 0.06 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 34.30 2bw2 s GLU 50 CO 0.69 -0.43 0.16 1.14 0.95 0.00 0.00 175.26 177.77 2bw2 s GLN 51 N -2.45 0.18 -0.22 -4.83 -2.07 -1.26 -0.08 119.66 108.93 2bw2 s GLN 51 Ca -0.05 0.24 -0.03 0.00 -1.82 0.00 0.00 55.36 53.70 2bw2 s GLN 51 Cb -0.01 0.07 0.10 0.00 -1.09 0.00 0.00 33.01 32.09 2bw2 s GLN 51 CO -0.01 -0.03 0.25 -1.59 -1.32 0.00 0.00 175.29 172.58 2bw2 s LYS 52 N 0.17 0.23 0.83 9.60 -2.85 0.66 -5.00 119.74 123.38 2bw2 s LYS 52 Ca -0.01 0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.15 2bw2 s LYS 52 Cb -0.02 -1.05 0.00 0.00 -2.06 0.00 0.00 37.83 34.70 2bw2 s LYS 52 CO -0.00 -0.71 0.00 1.17 0.10 0.00 0.00 175.35 175.91 2bw2 n LYS 53 N 5.32 0.00 0.00 1.78 0.00 -1.26 -0.33 118.16 123.67 2bw2 n LYS 53 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.26 2bw2 n LYS 53 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 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 -0.65 3.61 3.14 0.00 -1.26 -4.95 105.19 105.07 2bw2 n GLY 54 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.01 3.25 -0.08 1.61 6.14 0.55 -0.05 117.35 128.77 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 -2.31 0.01 0.00 0.42 0.00 0.00 41.96 40.08 2bw2 s TYR 55 CO 0.00 -0.08 -0.17 0.08 0.64 0.00 0.00 175.55 176.03 2bw2 s VAL 56 N 1.42 1.50 -0.24 3.14 1.01 -0.02 -0.25 120.40 126.96 2bw2 s VAL 56 Ca 0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2bw2 s VAL 56 Cb -0.15 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2bw2 s VAL 56 CO 0.07 0.44 0.00 -0.22 0.00 0.00 0.00 175.10 175.39 2bw2 s LEU 57 N 0.55 3.19 0.07 3.92 2.96 0.89 -0.43 118.68 129.83 2bw2 s LEU 57 Ca -0.16 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 2bw2 s LEU 57 Cb -0.17 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2bw2 s LEU 57 CO 0.06 -0.05 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.45 2bw2 s PHE 58 N 1.51 1.94 -0.04 5.38 0.08 0.04 -0.52 117.98 126.37 2bw2 s PHE 58 Ca 0.05 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.77 2bw2 s PHE 58 Cb -0.15 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 2bw2 s PHE 58 CO -0.01 0.17 -0.23 -0.98 -0.10 0.00 0.00 175.22 174.07 2bw2 s ARG 59 N -1.53 2.17 -0.18 0.44 1.70 -0.25 -0.73 118.95 120.57 2bw2 s ARG 59 Ca 0.09 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 54.51 2bw2 s ARG 59 Cb -0.09 -1.94 0.05 0.00 -0.57 0.00 0.00 34.95 32.39 2bw2 s ARG 59 CO 0.03 0.41 -0.04 0.21 -1.08 0.00 0.00 175.30 174.83 2bw2 s LYS 60 N -0.29 1.38 -0.21 3.89 2.47 0.81 -0.33 119.74 127.45 2bw2 s LYS 60 Ca 0.02 -0.59 -0.04 0.00 -1.56 0.00 0.00 55.97 53.80 2bw2 s LYS 60 Cb -0.12 -2.11 -0.02 0.00 -1.46 0.00 0.00 37.83 34.13 2bw2 s LYS 60 CO 0.02 -0.48 -0.02 1.14 0.16 0.00 0.00 175.35 176.16 2bw2 s GLN 61 N 1.62 3.48 0.29 4.03 -2.07 -1.26 -2.62 119.66 123.13 2bw2 s GLN 61 Ca -0.01 -0.58 0.06 0.00 -1.82 0.00 0.00 55.36 53.02 2bw2 s GLN 61 Cb -0.16 -3.05 -0.02 0.00 -1.09 0.00 0.00 33.01 28.69 2bw2 s GLN 61 CO -0.07 -0.12 0.35 -1.64 -1.32 0.00 0.00 175.29 172.48 2bw2 s MET 62 N 1.31 3.07 -0.17 9.60 -1.94 -1.18 -4.92 119.30 125.07 2bw2 s MET 62 Ca 0.04 -1.02 -0.05 0.00 -1.71 0.00 0.00 55.69 52.94 2bw2 s MET 62 Cb -0.14 -2.71 -0.13 0.00 2.01 0.00 0.00 34.83 33.86 2bw2 s MET 62 CO -0.01 0.23 3.24 -3.47 -0.01 0.00 0.00 175.02 175.00 2bw2 n ASP 63 N -1.43 5.72 -3.96 3.03 2.03 -1.26 -4.56 116.55 116.13 2bw2 n ASP 63 Ca -0.04 -2.76 -0.19 0.00 0.52 0.00 0.00 54.79 52.32 2bw2 n ASP 63 Cb 0.58 -1.34 -0.15 0.00 -0.72 0.00 0.00 41.12 39.49 2bw2 n ASP 63 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2bw2 s ASP 64 N 1.36 0.92 0.00 1.67 1.01 -1.26 -5.00 116.67 115.36 2bw2 s ASP 64 Ca 0.61 -0.14 0.25 0.00 0.71 0.00 0.00 52.55 53.99 2bw2 s ASP 64 Cb 0.33 -0.24 0.61 0.00 1.01 0.00 0.00 42.92 44.63 2bw2 s ASP 64 CO -0.08 0.04 1.49 2.30 0.21 0.00 0.00 175.17 179.13 2bw2 n ILE 65 N 3.33 0.05 -0.82 0.77 -5.35 -1.26 -1.43 119.36 114.65 2bw2 n ILE 65 Ca -0.18 -0.40 0.10 0.00 -0.27 0.00 0.00 62.75 62.00 2bw2 n ILE 65 Cb 0.55 0.96 -0.05 0.00 -1.74 0.00 0.00 39.64 39.36 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 0.79 -4.48 0.27 7.28 7.64 -1.26 -3.53 113.62 120.32 2bw2 n SER 66 Ca 0.17 0.82 0.12 0.00 1.01 0.00 0.00 58.87 60.99 2bw2 n SER 66 Cb 0.48 -2.82 0.74 0.00 -1.01 0.00 0.00 64.21 61.60 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 -0.81 0.00 -0.06 1.43 0.13 -2.01 -2.83 132.00 127.85 2bw2 h PRO 67 Ca -0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 2bw2 h PRO 67 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2bw2 h PRO 67 CO 0.04 0.10 -0.32 1.25 -0.23 0.00 0.00 178.00 178.84 2bw2 h LEU 68 N 0.00 0.11 -1.56 1.56 7.12 -2.00 -1.55 115.31 118.98 2bw2 h LEU 68 Ca -0.00 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 2bw2 h LEU 68 Cb 0.26 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 2bw2 h LEU 68 CO 0.01 0.43 -0.12 0.28 -0.13 0.00 0.00 178.44 178.92 2bw2 h SER 69 N 0.10 0.00 1.56 1.25 0.02 -1.54 0.26 113.55 115.20 2bw2 h SER 69 Ca 0.01 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 2bw2 h SER 69 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2bw2 h SER 69 CO 0.05 0.12 -0.44 0.11 -1.14 0.00 0.00 176.83 175.52 2bw2 h LYS 70 N 0.00 0.00 0.03 3.45 1.57 -1.42 -0.36 116.57 119.83 2bw2 h LYS 70 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2bw2 h LYS 70 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 2bw2 h LYS 70 CO 0.01 0.40 -2.03 1.33 -0.57 0.00 0.00 179.45 178.60 2bw2 n VAL 71 N -3.19 1.58 0.00 0.50 0.24 -0.77 -4.77 118.33 111.92 2bw2 n VAL 71 Ca 0.02 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2bw2 n VAL 71 Cb 0.70 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 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 -3.09 0.00 0.00 -1.34 5.15 0.85 -4.97 115.26 111.86 2bw2 n ASN 72 Ca -0.27 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 2bw2 n ASN 72 Cb 1.07 -0.17 0.00 0.00 -0.53 0.00 0.00 39.78 40.15 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 2.21 0.41 3.62 8.20 0.00 -0.15 -3.78 105.19 115.70 2bw2 n GLY 73 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.02 3.19 -0.23 1.61 2.02 -1.11 -4.19 117.35 116.62 2bw2 s TYR 74 Ca 0.00 0.86 -0.11 0.00 -0.37 0.00 0.00 57.07 57.45 2bw2 s TYR 74 Cb 0.00 -3.31 -0.05 0.00 -0.40 0.00 0.00 41.96 38.20 2bw2 s TYR 74 CO 0.00 -0.61 0.19 0.42 -1.57 0.00 0.00 175.55 173.98 2bw2 s ILE 75 N 3.08 5.35 -0.42 2.71 1.01 -1.26 -3.00 121.20 128.67 2bw2 s ILE 75 Ca 0.34 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.20 2bw2 s ILE 75 Cb -0.14 -3.53 0.11 0.00 0.01 0.00 0.00 42.46 38.92 2bw2 s ILE 75 CO 0.13 0.35 0.23 -0.83 0.00 0.00 0.00 174.94 174.83 2bw2 s GLY 76 N 0.92 2.00 -0.18 6.18 0.00 0.11 -3.94 107.32 112.40 2bw2 s GLY 76 Ca 0.09 -2.51 -0.05 0.00 0.00 0.00 0.00 44.72 42.25 2bw2 s GLY 76 CO 0.04 1.04 0.01 0.14 0.00 0.00 0.00 173.10 174.32 2bw2 s VAL 77 N 1.20 4.19 0.42 1.40 1.01 -1.02 -1.98 120.40 125.63 2bw2 s VAL 77 Ca 0.07 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2bw2 s VAL 77 Cb -0.23 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2bw2 s VAL 77 CO -0.03 0.46 0.61 -0.44 0.00 0.00 0.00 175.10 175.69 2bw2 s SER 78 N 0.61 5.76 0.55 3.32 0.01 -1.01 -4.01 113.70 118.92 2bw2 s SER 78 Ca -0.00 -0.03 0.29 0.00 1.31 0.00 0.00 55.95 57.52 2bw2 s SER 78 Cb -0.14 -1.19 1.46 0.00 0.21 0.00 0.00 66.02 66.36 2bw2 s SER 78 CO 0.02 -0.70 1.93 -0.78 0.41 0.00 0.00 173.24 174.12 2bw2 h ASP 79 N 0.54 0.00 -0.03 2.44 3.58 -1.98 0.47 116.42 121.45 2bw2 h ASP 79 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2bw2 h ASP 79 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2bw2 h ASP 79 CO 0.53 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.48 2bw2 n ASN 80 N -4.18 0.15 -0.70 2.28 3.02 -1.26 -4.50 115.26 110.07 2bw2 n ASN 80 Ca 0.13 -1.87 -0.04 0.00 -0.03 0.00 0.00 54.58 52.77 2bw2 n ASN 80 Cb 0.78 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.94 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 0.61 0.43 3.62 7.41 0.00 0.16 -3.40 105.19 114.02 2bw2 n GLY 81 Ca 0.04 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 2bw2 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bw2 s VAL 82 N -2.57 4.08 -0.07 1.61 1.01 -1.02 -0.30 120.40 123.14 2bw2 s VAL 82 Ca 0.05 1.17 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 2bw2 s VAL 82 Cb -0.02 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.18 2bw2 s VAL 82 CO 0.06 -0.64 1.84 -0.38 0.00 0.00 0.00 175.10 175.98 2bw2 n ILE 83 N 6.58 2.02 -2.55 2.22 2.08 0.11 -2.41 119.36 127.41 2bw2 n ILE 83 Ca 0.15 -0.68 -0.23 0.00 0.56 0.00 0.00 62.75 62.55 2bw2 n ILE 83 Cb 0.47 -1.37 0.08 0.00 -0.75 0.00 0.00 39.64 38.08 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 1.41 4.66 0.02 4.38 0.15 -0.84 -3.47 113.70 120.02 2bw2 s SER 84 Ca 0.07 -0.15 0.07 0.00 0.70 0.00 0.00 55.95 56.65 2bw2 s SER 84 Cb 0.06 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2bw2 s SER 84 CO 0.00 -1.63 -0.21 0.42 1.20 0.00 0.00 173.24 173.02 2bw2 s THR 85 N -3.05 2.52 0.22 6.45 -4.23 -1.26 0.06 115.64 116.36 2bw2 s THR 85 Ca 0.63 -1.18 0.11 0.00 -1.18 0.00 0.00 61.69 60.06 2bw2 s THR 85 Cb -0.07 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 2bw2 s THR 85 CO 0.43 0.41 -0.21 -0.36 -0.54 0.00 0.00 174.62 174.35 2bw2 s PHE 86 N -0.82 2.15 -0.56 3.99 0.40 -1.16 -0.78 117.98 121.20 2bw2 s PHE 86 Ca 0.13 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.87 2bw2 s PHE 86 Cb -0.10 -1.01 0.08 0.00 0.51 0.00 0.00 43.02 42.49 2bw2 s PHE 86 CO 0.03 0.53 0.71 -1.58 0.70 0.00 0.00 175.22 175.61 2bw2 s HIS 87 N -2.13 2.97 0.00 0.36 5.65 -1.25 -4.51 115.29 116.37 2bw2 s HIS 87 Ca 0.23 -0.68 0.00 0.00 0.25 0.00 0.00 55.06 54.86 2bw2 s HIS 87 Cb -0.06 -3.85 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 2bw2 s HIS 87 CO 0.11 -1.23 0.00 0.41 -0.65 0.00 0.00 174.74 173.38 2bw2 n GLY 88 N 5.23 -2.38 3.71 1.59 0.00 -1.26 -4.75 105.19 107.32 2bw2 n GLY 88 Ca -0.07 -1.90 -0.62 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.09 0.58 -2.50 1.61 5.12 -1.26 -4.84 116.66 115.28 2bw2 n ARG 89 Ca 0.00 0.21 -0.40 0.00 -1.93 0.00 0.00 57.85 55.73 2bw2 n ARG 89 Cb 0.00 -1.80 -0.02 0.00 -1.16 0.00 0.00 32.46 29.48 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 2.92 3.64 0.20 5.56 0.04 -1.26 -4.49 135.00 141.61 2bw2 s PRO 90 Ca 1.00 -1.53 -0.00 0.00 0.04 0.00 0.00 61.00 60.51 2bw2 s PRO 90 Cb -1.26 -5.43 -0.04 0.00 0.04 0.00 0.00 34.50 27.81 2bw2 s PRO 90 CO 0.71 -2.45 0.10 -1.83 0.04 0.00 0.00 177.00 173.57 2bw2 s GLU 91 N 4.84 1.18 0.40 4.56 -1.05 -1.26 -4.71 118.70 122.66 2bw2 s GLU 91 Ca 0.53 -1.61 0.28 0.00 -0.15 0.00 0.00 54.97 54.02 2bw2 s GLU 91 Cb 0.02 0.10 1.40 0.00 -0.44 0.00 0.00 34.13 35.21 2bw2 s GLU 91 CO 0.02 -0.32 1.84 -1.00 0.95 0.00 0.00 175.26 176.74 2bw2 h PRO 92 N 2.62 0.00 0.00 -4.83 0.13 -1.99 0.15 132.00 128.08 2bw2 h PRO 92 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2bw2 h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2bw2 h PRO 92 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 2bw2 n ALA 93 N -1.86 2.08 -2.54 -0.56 0.00 -1.26 -4.74 120.51 111.63 2bw2 n ALA 93 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 2bw2 n ALA 93 Cb 0.10 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.08 2bw2 n ALA 93 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2bw2 s SER 94 N -3.06 4.10 -0.05 0.00 0.01 0.52 -5.13 113.70 110.09 2bw2 s SER 94 Ca 0.11 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.41 2bw2 s SER 94 Cb 0.15 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 2bw2 s SER 94 CO 0.43 -0.18 -0.07 -1.61 0.41 0.00 0.00 173.24 172.23 2bw2 s GLU 95 N -3.68 2.69 0.34 12.44 2.02 -1.26 -4.73 118.70 126.53 2bw2 s GLU 95 Ca 0.34 -0.60 -0.28 0.00 0.02 0.00 0.00 54.97 54.45 2bw2 s GLU 95 Cb -0.01 -2.57 -0.09 0.00 0.10 0.00 0.00 34.13 31.56 2bw2 s GLU 95 CO 0.19 0.65 1.19 -2.14 0.02 0.00 0.00 175.26 175.16 2bw2 s PRO 96 N -0.99 4.34 0.02 0.39 0.02 -1.26 -3.94 135.00 133.57 2bw2 s PRO 96 Ca 0.14 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 63.03 2bw2 s PRO 96 Cb -0.11 -2.96 -0.30 0.00 0.02 0.00 0.00 34.50 31.14 2bw2 s PRO 96 CO 0.03 -0.10 0.92 0.82 -0.33 0.00 0.00 177.00 178.34 2bw2 h ILE 97 N 2.80 1.22 -1.04 2.83 2.04 -1.33 -3.49 117.51 120.53 2bw2 h ILE 97 Ca -0.48 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 62.59 2bw2 h ILE 97 Cb 1.22 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.17 2bw2 h ILE 97 CO 0.65 0.84 0.00 0.00 0.00 0.00 0.00 178.15 179.64 2bw2 n GLN 98 N -3.55 0.00 -3.69 2.37 0.00 -1.26 -4.91 117.38 106.34 2bw2 n GLN 98 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.71 2bw2 n GLN 98 Cb 1.06 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 31.17 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 1.75 0.07 -0.07 2.61 0.01 -1.26 -4.58 113.70 112.24 2bw2 s SER 99 Ca 0.00 0.56 -0.04 0.00 1.31 0.00 0.00 55.95 57.78 2bw2 s SER 99 Cb 0.00 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 2bw2 s SER 99 CO 0.00 -0.21 -0.08 -0.26 0.41 0.00 0.00 173.24 173.11 2bw2 h PHE 100 N 7.78 0.00 -4.52 2.43 0.04 -1.94 -3.49 116.94 117.25 2bw2 h PHE 100 Ca -0.26 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.24 2bw2 h PHE 100 Cb 1.13 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.15 2bw2 h PHE 100 CO 0.37 0.00 -0.52 -0.06 -0.60 0.00 0.00 178.31 177.50 2bw2 s PHE 101 N -1.60 1.18 -0.08 -0.55 0.40 -1.26 -4.99 117.98 111.07 2bw2 s PHE 101 Ca -0.06 -1.35 -0.01 0.00 -0.60 0.00 0.00 56.93 54.90 2bw2 s PHE 101 Cb 0.01 -0.48 0.03 0.00 0.51 0.00 0.00 43.02 43.08 2bw2 s PHE 101 CO 0.10 -0.75 -0.03 -0.65 0.70 0.00 0.00 175.22 174.59 2bw2 s GLN 102 N -3.96 0.91 0.27 0.44 -0.21 -1.24 0.09 119.66 115.96 2bw2 s GLN 102 Ca 0.37 -0.02 0.04 0.00 0.02 0.00 0.00 55.36 55.77 2bw2 s GLN 102 Cb 0.05 -1.15 -0.06 0.00 1.00 0.00 0.00 33.01 32.85 2bw2 s GLN 102 CO 0.15 -0.27 0.01 0.96 -2.12 0.00 0.00 175.29 174.02 2bw2 s ILE 103 N 1.79 1.13 -0.46 1.08 -4.36 0.59 -3.72 121.20 117.25 2bw2 s ILE 103 Ca 0.03 -2.04 -0.27 0.00 -0.26 0.00 0.00 60.65 58.12 2bw2 s ILE 103 Cb -0.13 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.11 2bw2 s ILE 103 CO -0.06 -0.21 1.00 -1.81 0.24 0.00 0.00 174.94 174.11 2bw2 s ASP 104 N -3.38 6.56 0.40 4.36 1.11 -1.26 -2.74 116.67 121.73 2bw2 s ASP 104 Ca 0.31 0.27 0.19 0.00 0.18 0.00 0.00 52.55 53.50 2bw2 s ASP 104 Cb 0.06 -2.49 0.85 0.00 1.07 0.00 0.00 42.92 42.41 2bw2 s ASP 104 CO 0.11 -1.12 1.83 -0.07 1.18 0.00 0.00 175.17 177.11 2bw2 h LEU 105 N 10.78 0.00 -0.95 1.23 3.38 -1.86 -0.60 115.31 127.29 2bw2 h LEU 105 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2bw2 h LEU 105 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2bw2 h LEU 105 CO 1.06 0.33 0.00 1.05 0.09 0.00 0.00 178.44 180.97 2bw2 h GLU 106 N 0.00 0.00 0.00 1.13 4.11 -1.89 -1.59 114.58 116.34 2bw2 h GLU 106 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bw2 h GLU 106 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2bw2 h GLU 106 CO 0.04 0.00 -1.48 2.89 0.07 0.00 0.00 179.01 180.53 2bw2 n ARG 107 N -2.39 0.51 -1.25 1.06 1.85 -0.27 -4.91 116.66 111.26 2bw2 n ARG 107 Ca 0.01 -0.07 -0.35 0.00 -1.00 0.00 0.00 57.85 56.45 2bw2 n ARG 107 Cb 0.21 -1.60 0.11 0.00 -1.05 0.00 0.00 32.46 30.13 2bw2 n ARG 107 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2bw2 n LEU 108 N -2.23 3.96 0.00 2.89 7.99 -0.60 -4.98 117.00 124.03 2bw2 n LEU 108 Ca -0.01 0.63 0.00 0.00 -0.01 0.00 0.00 56.01 56.62 2bw2 n LEU 108 Cb 0.52 -1.46 0.00 0.00 -0.11 0.00 0.00 43.42 42.37 2bw2 n LEU 108 CO 0.43 -1.87 0.37 -0.62 -1.51 0.00 0.00 177.39 174.19 2bw2 n GLU 109 N -2.48 0.00 0.00 3.23 1.02 -1.26 -4.97 120.64 116.18 2bw2 n GLU 109 Ca 0.13 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2bw2 n GLU 109 Cb 0.50 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 2bw2 n GLU 109 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bw2 n SER 110 N -1.47 0.00 0.18 1.62 3.41 -1.26 -4.98 113.62 111.12 2bw2 n SER 110 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2bw2 n SER 110 Cb 0.00 0.31 0.12 0.00 -0.26 0.00 0.00 64.21 64.38 2bw2 n SER 110 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2bw2 h HIS 111 N 0.00 0.00 -0.32 7.33 3.86 -1.99 -3.28 115.15 120.75 2bw2 h HIS 111 Ca 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2bw2 h HIS 111 Cb 0.00 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 2bw2 h HIS 111 CO 0.00 0.29 -0.42 0.52 0.86 0.00 0.00 177.93 179.18 2bw2 h MET 112 N 0.00 -0.36 -0.37 2.45 2.07 -1.96 0.18 114.93 116.94 2bw2 h MET 112 Ca -0.00 0.02 -0.07 0.00 -2.07 0.00 0.00 59.70 57.58 2bw2 h MET 112 Cb 1.19 0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 30.98 2bw2 h MET 112 CO 0.04 -0.24 -0.06 -0.56 1.07 0.00 0.00 176.91 177.16 2bw2 h GLN 113 N -0.37 0.62 0.00 1.72 3.07 -1.90 -2.49 115.11 115.76 2bw2 h GLN 113 Ca 0.12 -0.17 -0.09 0.00 0.09 0.00 0.00 58.65 58.60 2bw2 h GLN 113 Cb 0.59 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2bw2 h GLN 113 CO -0.52 0.69 -0.44 0.87 0.09 0.00 0.00 178.83 179.52 2bw2 h LYS 114 N 0.58 0.00 -0.21 0.06 1.57 -1.36 -0.02 116.57 117.19 2bw2 h LYS 114 Ca 0.11 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 2bw2 h LYS 114 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2bw2 h LYS 114 CO 0.02 0.44 -0.50 -0.91 -0.57 0.00 0.00 179.45 177.94 2bw2 h ASN 115 N 0.00 0.62 0.48 0.86 2.35 -0.24 -2.51 115.58 117.15 2bw2 h ASN 115 Ca -0.00 -0.31 -0.11 0.00 -0.55 0.00 0.00 56.30 55.32 2bw2 h ASN 115 Cb 0.93 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 2bw2 h ASN 115 CO 0.06 1.02 -0.52 -0.07 -1.65 0.00 0.00 177.43 176.26 2bw2 h LEU 116 N 0.45 0.05 -0.03 1.61 3.38 -1.07 0.38 115.31 120.08 2bw2 h LEU 116 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2bw2 h LEU 116 Cb 1.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2bw2 h LEU 116 CO 0.10 0.56 0.01 -0.07 0.09 0.00 0.00 178.44 179.13 2bw2 h LEU 117 N 0.03 0.04 0.00 1.67 3.38 -0.73 -2.67 115.31 117.03 2bw2 h LEU 117 Ca -0.00 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2bw2 h LEU 117 Cb 0.94 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2bw2 h LEU 117 CO 0.07 0.22 -0.40 0.07 0.09 0.00 0.00 178.44 178.49 2bw2 h LYS 118 N -0.14 0.00 0.00 1.13 -0.00 -1.41 -3.41 116.57 112.74 2bw2 h LYS 118 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 2bw2 h LYS 118 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.43 2bw2 h LYS 118 CO -0.00 0.29 0.00 0.41 -0.00 0.00 0.00 179.45 180.15 2bw2 n GLY 119 N 1.19 2.53 3.66 0.07 0.00 0.12 -4.10 105.19 108.65 2bw2 n GLY 119 Ca 0.02 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.75 4.44 -1.96 -0.61 -1.09 -1.22 -4.82 121.20 115.18 2bw2 s ILE 120 Ca 0.00 1.73 0.15 0.00 -2.23 0.00 0.00 60.65 60.30 2bw2 s ILE 120 Cb 0.00 -4.16 0.42 0.00 -1.58 0.00 0.00 42.46 37.14 2bw2 s ILE 120 CO 0.00 -0.20 1.33 -0.81 -1.23 0.00 0.00 174.94 174.03 2bw2 n PRO 121 N 6.57 0.46 0.00 2.79 -0.04 -1.26 -2.75 135.00 140.76 2bw2 n PRO 121 Ca 0.13 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2bw2 n PRO 121 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.02 0.00 -3.61 0.54 7.35 -1.25 -4.71 117.46 114.77 2bw2 n PHE 122 Ca 0.11 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.69 2bw2 n PHE 122 Cb 0.06 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.84 2bw2 n PHE 122 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2bw2 s ARG 123 N -1.65 1.07 0.51 -4.13 1.70 -1.26 -4.90 118.95 110.28 2bw2 s ARG 123 Ca 0.00 -0.59 0.04 0.00 -0.47 0.00 0.00 55.73 54.71 2bw2 s ARG 123 Cb 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2bw2 s ARG 123 CO 0.00 -0.42 0.23 0.99 -1.08 0.00 0.00 175.30 175.02 2bw2 s THR 124 N -3.50 1.63 0.06 4.99 2.01 -1.26 -4.48 115.64 115.08 2bw2 s THR 124 Ca 0.01 -1.70 -0.32 0.00 0.31 0.00 0.00 61.69 59.99 2bw2 s THR 124 Cb 0.01 -2.32 -0.18 0.00 0.01 0.00 0.00 72.50 70.01 2bw2 s THR 124 CO -0.10 0.00 1.52 0.50 -0.69 0.00 0.00 174.62 175.85 2bw2 h LYS 125 N 1.08 -0.85 0.00 4.92 3.11 -1.98 -0.29 116.57 122.56 2bw2 h LYS 125 Ca -0.40 0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.46 2bw2 h LYS 125 Cb 1.30 0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 32.72 2bw2 h LYS 125 CO 0.65 -0.55 -0.14 0.00 -2.81 0.00 0.00 179.45 176.60 2bw2 h ALA 126 N -0.65 1.07 -0.01 5.00 0.00 -1.97 -2.14 119.26 120.55 2bw2 h ALA 126 Ca -0.09 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2bw2 h ALA 126 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2bw2 h ALA 126 CO 0.15 0.18 -0.80 0.93 0.00 0.00 0.00 179.25 179.71 2bw2 h GLU 127 N 0.00 0.16 0.20 0.00 5.08 -1.85 -1.67 114.58 116.50 2bw2 h GLU 127 Ca -0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2bw2 h GLU 127 Cb 0.58 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2bw2 h GLU 127 CO 0.02 0.88 -0.10 0.35 -1.00 0.00 0.00 179.01 179.16 2bw2 h PHE 128 N 0.10 -0.25 0.00 4.33 3.57 -0.39 0.13 116.94 124.43 2bw2 h PHE 128 Ca -0.03 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2bw2 h PHE 128 Cb 1.39 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.22 2bw2 h PHE 128 CO 0.02 0.02 -0.08 1.05 -2.23 0.00 0.00 178.31 177.09 2bw2 h GLU 129 N -0.51 0.00 0.06 1.11 4.11 -1.51 0.12 114.58 117.95 2bw2 h GLU 129 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2bw2 h GLU 129 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2bw2 h GLU 129 CO 0.05 0.08 -0.03 0.22 0.07 0.00 0.00 179.01 179.40 2bw2 h ASP 130 N 0.00 -0.07 -0.05 3.06 3.58 -0.96 0.13 116.42 122.11 2bw2 h ASP 130 Ca -0.00 -0.49 -0.11 0.00 0.42 0.00 0.00 57.03 56.85 2bw2 h ASP 130 Cb 0.35 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2bw2 h ASP 130 CO 0.01 0.48 -0.31 1.62 -2.88 0.00 0.00 179.24 178.16 2bw2 h VAL 131 N -0.65 1.28 -0.30 2.25 3.04 -0.61 -2.69 116.25 118.58 2bw2 h VAL 131 Ca -0.01 -1.39 -0.10 0.00 -1.01 0.00 0.00 66.70 64.19 2bw2 h VAL 131 Cb 0.55 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 2bw2 h VAL 131 CO 0.01 0.44 -0.23 0.40 -1.01 0.00 0.00 177.57 177.19 2bw2 h ILE 132 N 0.45 1.26 0.00 3.17 5.03 -0.79 -0.40 117.51 126.24 2bw2 h ILE 132 Ca 0.06 -1.26 -0.04 0.00 -0.12 0.00 0.00 64.86 63.49 2bw2 h ILE 132 Cb 0.76 1.28 -0.01 0.00 -3.03 0.00 0.00 36.82 35.83 2bw2 h ILE 132 CO 0.06 0.41 -0.20 1.05 -0.68 0.00 0.00 178.15 178.79 2bw2 h GLU 133 N 0.51 0.00 0.09 2.37 4.11 -0.72 0.26 114.58 121.19 2bw2 h GLU 133 Ca 0.08 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.22 2bw2 h GLU 133 Cb 0.67 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.94 2bw2 h GLU 133 CO 0.05 0.20 -1.18 1.25 0.07 0.00 0.00 179.01 179.40 2bw2 h HIS 134 N 0.00 1.02 -0.40 2.06 2.76 -1.09 -2.14 115.15 117.37 2bw2 h HIS 134 Ca -0.00 -0.62 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 2bw2 h HIS 134 Cb 0.70 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 2bw2 h HIS 134 CO 0.00 1.46 0.26 0.52 -1.30 0.00 0.00 177.93 178.86 2bw2 h MET 135 N 0.30 0.53 0.00 5.26 2.86 -0.53 -2.15 114.93 121.19 2bw2 h MET 135 Ca -0.17 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2bw2 h MET 135 Cb 1.85 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.39 2bw2 h MET 135 CO 0.23 0.37 0.00 1.57 1.06 0.00 0.00 176.91 180.14 2bw2 h LYS 136 N 0.53 0.00 0.00 1.72 2.10 -1.00 -1.17 116.57 118.75 2bw2 h LYS 136 Ca 0.15 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.78 2bw2 h LYS 136 Cb -0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2bw2 h LYS 136 CO -0.03 0.00 -0.08 0.00 -2.00 0.00 0.00 179.45 177.34 2bw2 h THR 137 N 0.00 0.42 0.00 0.07 1.03 -0.69 -3.09 112.91 110.66 2bw2 h THR 137 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 2bw2 h THR 137 Cb 0.57 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 2bw2 h THR 137 CO 0.00 0.08 -0.52 -1.22 -0.01 0.00 0.00 175.52 173.84 2bw2 n TYR 138 N -3.52 0.67 -1.25 0.00 4.01 -0.57 -4.96 117.16 111.54 2bw2 n TYR 138 Ca -0.02 0.29 -0.11 0.00 -0.16 0.00 0.00 57.90 57.90 2bw2 n TYR 138 Cb 0.21 -0.66 -0.05 0.00 -0.31 0.00 0.00 39.34 38.53 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 -4.30 -3.80 0.00 7.72 3.41 -0.55 -4.95 113.62 111.15 2bw2 n SER 139 Ca -0.07 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2bw2 n SER 139 Cb 0.27 -3.25 0.00 0.00 -0.26 0.00 0.00 64.21 60.97 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49