#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw2 s GLU 2 N 0.00 3.93 0.58 0.00 2.02 -1.26 -5.09 118.70 118.88 2bw2 s GLU 2 Ca 0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 2bw2 s GLU 2 Cb 0.00 -3.21 0.03 0.00 0.10 0.00 0.00 34.13 31.04 2bw2 s GLU 2 CO 0.00 0.33 0.83 0.14 0.02 0.00 0.00 175.26 176.58 2bw2 s VAL 3 N 0.22 2.97 -0.36 2.63 -7.23 -1.26 -4.93 120.40 112.45 2bw2 s VAL 3 Ca 0.05 -0.43 -0.09 0.00 -1.81 0.00 0.00 61.98 59.69 2bw2 s VAL 3 Cb -0.12 -3.16 0.03 0.00 0.56 0.00 0.00 36.38 33.69 2bw2 s VAL 3 CO 0.00 -0.14 0.16 -1.61 -0.31 0.00 0.00 175.10 173.21 2bw2 s GLU 4 N -4.88 2.75 1.06 4.82 2.02 0.31 -4.89 118.70 119.90 2bw2 s GLU 4 Ca 0.56 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2bw2 s GLU 4 Cb -0.10 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.51 2bw2 s GLU 4 CO 0.41 -0.68 0.00 0.72 0.02 0.00 0.00 175.26 175.73 2bw2 n HIS 5 N 4.92 -1.31 -0.01 1.61 8.25 -1.26 -4.71 115.22 122.70 2bw2 n HIS 5 Ca -0.12 0.04 0.06 0.00 -0.26 0.00 0.00 57.72 57.44 2bw2 n HIS 5 Cb 0.46 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.51 0.00 -4.42 4.41 4.02 -1.26 -4.95 117.16 114.45 2bw2 n TYR 6 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 2bw2 n TYR 6 Cb 0.01 -0.36 -0.11 0.00 -0.02 0.00 0.00 39.34 38.87 2bw2 n TYR 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2bw2 s GLU 7 N -2.96 1.69 0.68 -0.72 2.02 -1.26 -5.11 118.70 113.05 2bw2 s GLU 7 Ca -0.05 -1.57 -0.17 0.00 0.02 0.00 0.00 54.97 53.20 2bw2 s GLU 7 Cb 0.09 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 2bw2 s GLU 7 CO 0.61 0.38 0.88 -0.35 0.02 0.00 0.00 175.26 176.79 2bw2 n PRO 8 N -0.15 0.58 -3.51 0.39 -0.04 -1.26 -4.88 135.00 126.11 2bw2 n PRO 8 Ca -0.09 0.25 -0.38 0.00 -0.04 0.00 0.00 63.50 63.23 2bw2 n PRO 8 Cb 0.58 -2.12 -0.09 0.00 -0.04 0.00 0.00 33.50 31.82 2bw2 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bw2 s LEU 9 N -2.21 4.07 -0.71 1.53 1.98 0.16 -4.76 118.68 118.75 2bw2 s LEU 9 Ca 0.73 0.20 -0.24 0.00 -2.89 0.00 0.00 54.13 51.93 2bw2 s LEU 9 Cb -0.37 -2.27 0.06 0.00 0.66 0.00 0.00 46.19 44.27 2bw2 s LEU 9 CO 0.50 -0.06 1.08 -1.10 -1.89 0.00 0.00 176.35 174.88 2bw2 s GLN 10 N 1.60 3.18 -0.23 1.98 -0.21 -1.26 -0.70 119.66 124.02 2bw2 s GLN 10 Ca 0.12 -0.73 -0.12 0.00 0.02 0.00 0.00 55.36 54.64 2bw2 s GLN 10 Cb -0.15 -4.29 -0.05 0.00 1.00 0.00 0.00 33.01 29.52 2bw2 s GLN 10 CO 0.08 -1.92 0.24 0.08 -2.12 0.00 0.00 175.29 171.65 2bw2 s VAL 11 N 4.49 5.31 -0.45 1.09 1.01 0.89 -4.53 120.40 128.21 2bw2 s VAL 11 Ca 0.27 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 2bw2 s VAL 11 Cb -0.13 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.72 2bw2 s VAL 11 CO 0.10 0.31 0.43 -1.00 0.00 0.00 0.00 175.10 174.94 2bw2 s HIS 12 N 1.16 3.19 -0.26 5.22 3.76 0.48 -0.40 115.29 128.43 2bw2 s HIS 12 Ca 0.11 -0.63 -0.09 0.00 -0.15 0.00 0.00 55.06 54.30 2bw2 s HIS 12 Cb -0.14 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.46 2bw2 s HIS 12 CO 0.06 -0.77 0.13 0.08 -0.85 0.00 0.00 174.74 173.39 2bw2 s VAL 13 N 1.97 4.86 -0.39 -0.90 1.01 0.11 -0.35 120.40 126.71 2bw2 s VAL 13 Ca 0.09 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2bw2 s VAL 13 Cb -0.20 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2bw2 s VAL 13 CO 0.10 0.29 0.49 -1.58 0.00 0.00 0.00 175.10 174.40 2bw2 s GLN 14 N 1.68 3.35 -0.37 2.72 0.74 0.05 -0.34 119.66 127.49 2bw2 s GLN 14 Ca 0.07 -0.46 -0.13 0.00 0.05 0.00 0.00 55.36 54.89 2bw2 s GLN 14 Cb -0.16 -3.89 0.00 0.00 1.10 0.00 0.00 33.01 30.06 2bw2 s GLN 14 CO 0.08 -0.77 0.26 -0.51 -0.55 0.00 0.00 175.29 173.79 2bw2 s LEU 15 N 2.33 4.73 -0.01 3.68 1.43 0.45 -1.38 118.68 129.92 2bw2 s LEU 15 Ca 0.16 -0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2bw2 s LEU 15 Cb -0.16 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 2bw2 s LEU 15 CO 0.14 -0.32 0.26 -1.61 0.23 0.00 0.00 176.35 175.05 2bw2 s GLU 16 N 1.69 3.58 -0.37 1.70 2.02 0.11 -0.51 118.70 126.92 2bw2 s GLU 16 Ca 0.05 -0.06 -0.00 0.00 0.02 0.00 0.00 54.97 54.98 2bw2 s GLU 16 Cb -0.18 -3.10 0.10 0.00 0.10 0.00 0.00 34.13 31.05 2bw2 s GLU 16 CO 0.10 0.66 0.13 0.15 0.02 0.00 0.00 175.26 176.32 2bw2 s LYS 17 N -1.66 1.85 -0.31 1.61 3.01 -0.11 -0.05 119.74 124.09 2bw2 s LYS 17 Ca 0.26 -1.79 -0.18 0.00 -1.01 0.00 0.00 55.97 53.25 2bw2 s LYS 17 Cb -0.13 -3.41 -0.02 0.00 -1.01 0.00 0.00 37.83 33.26 2bw2 s LYS 17 CO 0.15 -0.98 0.52 0.08 0.51 0.00 0.00 175.35 175.62 2bw2 s VAL 18 N 1.06 5.04 0.43 3.17 1.01 0.13 -2.30 120.40 128.94 2bw2 s VAL 18 Ca 0.08 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.75 2bw2 s VAL 18 Cb -0.21 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2bw2 s VAL 18 CO -0.05 -0.07 0.32 -0.31 0.00 0.00 0.00 175.10 174.99 2bw2 s TYR 19 N 2.37 2.54 0.22 5.22 2.02 -1.25 -0.58 117.35 127.89 2bw2 s TYR 19 Ca 0.20 -0.57 -0.07 0.00 -0.37 0.00 0.00 57.07 56.26 2bw2 s TYR 19 Cb -0.15 -2.08 0.17 0.00 -0.40 0.00 0.00 41.96 39.50 2bw2 s TYR 19 CO 0.11 -0.08 1.78 -0.07 -1.57 0.00 0.00 175.55 175.72 2bw2 h LEU 20 N 1.11 1.09 -0.67 -1.29 4.07 -1.74 -3.21 115.31 114.67 2bw2 h LEU 20 Ca -0.41 -0.18 0.12 0.00 0.08 0.00 0.00 57.88 57.49 2bw2 h LEU 20 Cb 1.27 -0.28 -0.09 0.00 1.08 0.00 0.00 40.66 42.64 2bw2 h LEU 20 CO 0.61 0.97 0.22 -0.78 -1.08 0.00 0.00 178.44 178.39 2bw2 h ASP 21 N 1.14 0.17 0.00 -0.43 1.82 -1.95 -3.46 116.42 113.71 2bw2 h ASP 21 Ca 0.26 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 2bw2 h ASP 21 Cb 0.24 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2bw2 h ASP 21 CO -0.02 0.08 0.00 0.61 -1.61 0.00 0.00 179.24 178.30 2bw2 n GLY 22 N -1.32 3.70 3.72 -0.78 0.00 -1.21 -4.61 105.19 104.69 2bw2 n GLY 22 Ca 0.11 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 6.68 -0.07 1.61 2.15 -1.26 -4.84 116.67 120.94 2bw2 s ASP 23 Ca 0.00 2.52 0.03 0.00 0.43 0.00 0.00 52.55 55.54 2bw2 s ASP 23 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2bw2 s ASP 23 CO 0.00 -0.75 -0.17 0.54 -0.17 0.00 0.00 175.17 174.62 2bw2 s VAL 24 N 1.00 1.49 -0.30 1.11 0.11 -1.26 -3.78 120.40 118.78 2bw2 s VAL 24 Ca 0.67 -0.71 -0.22 0.00 -2.93 0.00 0.00 61.98 58.79 2bw2 s VAL 24 Cb -0.41 -1.31 -0.00 0.00 -1.53 0.00 0.00 36.38 33.13 2bw2 s VAL 24 CO 0.32 0.43 0.74 -0.44 -3.33 0.00 0.00 175.10 172.82 2bw2 s SER 25 N 0.38 6.62 -0.21 3.54 0.01 -0.97 -4.85 113.70 118.21 2bw2 s SER 25 Ca -0.12 0.63 -0.13 0.00 1.31 0.00 0.00 55.95 57.64 2bw2 s SER 25 Cb -0.15 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2bw2 s SER 25 CO 0.05 -0.55 0.26 -0.63 0.41 0.00 0.00 173.24 172.78 2bw2 s ILE 26 N 2.82 5.30 0.07 1.44 -1.09 -1.26 -0.94 121.20 127.53 2bw2 s ILE 26 Ca 0.30 0.43 0.09 0.00 -2.23 0.00 0.00 60.65 59.24 2bw2 s ILE 26 Cb -0.15 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2bw2 s ILE 26 CO 0.12 0.33 -0.24 -0.70 -1.23 0.00 0.00 174.94 173.21 2bw2 s GLU 27 N 0.99 1.50 -0.22 2.79 2.56 0.34 -4.98 118.70 121.67 2bw2 s GLU 27 Ca 0.13 -1.11 0.01 0.00 0.00 0.00 0.00 54.97 54.00 2bw2 s GLU 27 Cb -0.14 -1.73 0.05 0.00 2.00 0.00 0.00 34.13 34.31 2bw2 s GLU 27 CO 0.05 0.43 -0.08 -1.01 -0.56 0.00 0.00 175.26 174.09 2bw2 s HIS 28 N -0.90 2.50 0.11 5.30 3.76 -1.26 -0.41 115.29 124.39 2bw2 s HIS 28 Ca 0.10 -1.74 0.08 0.00 -0.15 0.00 0.00 55.06 53.35 2bw2 s HIS 28 Cb -0.10 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 2bw2 s HIS 28 CO 0.03 -0.77 -0.13 0.15 -0.85 0.00 0.00 174.74 173.17 2bw2 s LYS 29 N 1.36 2.00 -0.19 1.40 1.02 0.54 -4.97 119.74 120.91 2bw2 s LYS 29 Ca -0.04 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 54.86 2bw2 s LYS 29 Cb -0.18 -2.23 0.04 0.00 -0.52 0.00 0.00 37.83 34.94 2bw2 s LYS 29 CO -0.07 0.49 -0.11 -3.38 -0.92 0.00 0.00 175.35 171.36 2bw2 s HIS 30 N -1.23 2.42 0.10 3.18 -3.43 -1.26 0.06 115.29 115.12 2bw2 s HIS 30 Ca 0.21 -1.56 0.05 0.00 -0.80 0.00 0.00 55.06 52.96 2bw2 s HIS 30 Cb -0.11 -1.65 -0.03 0.00 -1.43 0.00 0.00 32.58 29.36 2bw2 s HIS 30 CO 0.13 -0.74 -0.14 -1.83 -2.00 0.00 0.00 174.74 170.16 2bw2 s GLU 31 N 1.40 0.92 -0.19 -0.38 -1.05 0.46 -4.94 118.70 114.92 2bw2 s GLU 31 Ca -0.00 -1.10 -0.08 0.00 -0.15 0.00 0.00 54.97 53.63 2bw2 s GLU 31 Cb -0.16 -0.86 -0.04 0.00 -0.44 0.00 0.00 34.13 32.63 2bw2 s GLU 31 CO -0.09 0.18 0.08 0.15 0.95 0.00 0.00 175.26 176.53 2bw2 s LYS 32 N -2.23 4.04 -0.02 -4.83 1.02 -1.24 -0.07 119.74 116.40 2bw2 s LYS 32 Ca 0.04 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.73 2bw2 s LYS 32 Cb -0.07 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 2bw2 s LYS 32 CO 0.02 0.27 -0.02 0.54 -0.92 0.00 0.00 175.35 175.24 2bw2 s VAL 33 N 0.39 0.31 0.15 3.17 0.11 0.13 -4.81 120.40 119.84 2bw2 s VAL 33 Ca 0.05 -0.05 0.12 0.00 -2.93 0.00 0.00 61.98 59.17 2bw2 s VAL 33 Cb -0.12 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2bw2 s VAL 33 CO -0.00 0.15 1.51 -0.26 -3.33 0.00 0.00 175.10 173.17 2bw2 h PHE 34 N 6.86 0.00 -3.27 1.54 0.04 -1.90 0.46 116.94 120.68 2bw2 h PHE 34 Ca -0.37 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 59.90 2bw2 h PHE 34 Cb 1.16 0.00 -0.39 0.00 2.20 0.00 0.00 35.95 38.91 2bw2 h PHE 34 CO 0.47 0.67 -0.77 0.45 -0.60 0.00 0.00 178.31 178.54 2bw2 s SER 35 N -6.67 2.56 0.52 2.17 0.15 -1.26 -0.53 113.70 110.64 2bw2 s SER 35 Ca 0.00 -0.62 0.28 0.00 0.70 0.00 0.00 55.95 56.31 2bw2 s SER 35 Cb 0.11 -0.57 1.41 0.00 -1.71 0.00 0.00 66.02 65.25 2bw2 s SER 35 CO 0.76 -0.27 1.92 0.24 1.20 0.00 0.00 173.24 177.09 2bw2 h MET 36 N 8.26 0.05 -0.14 5.44 2.86 -1.87 0.16 114.93 129.68 2bw2 h MET 36 Ca -0.18 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 2bw2 h MET 36 Cb 1.12 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2bw2 h MET 36 CO 0.32 0.03 -0.04 0.22 1.06 0.00 0.00 176.91 178.50 2bw2 h ASP 37 N 0.05 0.18 0.24 1.22 3.58 -1.98 0.24 116.42 119.94 2bw2 h ASP 37 Ca 0.37 -0.02 -0.23 0.00 0.42 0.00 0.00 57.03 57.57 2bw2 h ASP 37 Cb 1.41 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.42 2bw2 h ASP 37 CO -0.02 0.26 -0.91 -0.78 -2.88 0.00 0.00 179.24 174.91 2bw2 h ASP 38 N 0.20 0.61 -0.40 2.28 3.58 -1.11 -2.54 116.42 119.04 2bw2 h ASP 38 Ca 0.05 -0.47 -0.03 0.00 0.42 0.00 0.00 57.03 56.99 2bw2 h ASP 38 Cb 0.21 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2bw2 h ASP 38 CO 0.01 1.26 0.11 0.15 -2.88 0.00 0.00 179.24 177.89 2bw2 h PHE 39 N 0.28 0.65 -0.72 0.28 3.04 -0.97 -0.44 116.94 119.06 2bw2 h PHE 39 Ca -0.08 -0.07 -0.05 0.00 3.98 0.00 0.00 57.97 61.75 2bw2 h PHE 39 Cb 1.54 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.84 2bw2 h PHE 39 CO 0.07 0.62 0.24 -1.49 -2.02 0.00 0.00 178.31 175.72 2bw2 h TRP 40 N 0.50 1.13 0.00 0.41 -0.00 -0.57 -0.32 115.95 117.10 2bw2 h TRP 40 Ca 0.13 -0.10 -0.11 0.00 -0.00 0.00 0.00 58.89 58.80 2bw2 h TRP 40 Cb 0.28 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 2bw2 h TRP 40 CO 0.01 0.89 -0.53 0.00 -0.00 0.00 0.00 178.44 178.81 2bw2 h ALA 41 N 1.19 0.98 -0.10 1.49 0.00 -1.26 0.25 119.26 121.80 2bw2 h ALA 41 Ca 0.23 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 2bw2 h ALA 41 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bw2 h ALA 41 CO -0.01 0.66 -0.75 0.00 0.00 0.00 0.00 179.25 179.15 2bw2 h ALA 42 N 1.47 0.51 -0.25 0.00 0.00 -0.20 -3.28 119.26 117.50 2bw2 h ALA 42 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2bw2 h ALA 42 Cb 1.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2bw2 h ALA 42 CO 0.07 0.74 0.00 0.66 0.00 0.00 0.00 179.25 180.72 2bw2 n TYR 43 N -3.87 0.70 -0.12 0.00 4.01 -0.21 -4.66 117.16 113.01 2bw2 n TYR 43 Ca -0.05 -0.78 0.20 0.00 -0.16 0.00 0.00 57.90 57.11 2bw2 n TYR 43 Cb 0.72 -0.22 0.62 0.00 -0.31 0.00 0.00 39.34 40.15 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bw2 h ALA 44 N 1.62 2.42 0.00 -0.72 0.00 -0.57 0.75 119.26 122.76 2bw2 h ALA 44 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bw2 h ALA 44 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2bw2 h ALA 44 CO 0.14 -0.63 0.00 0.78 0.00 0.00 0.00 179.25 179.54 2bw2 h GLY 45 N 0.17 0.00 -2.02 0.00 0.00 -1.85 -3.44 103.07 95.94 2bw2 h GLY 45 Ca 0.35 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.19 2bw2 h GLY 45 CO -0.06 0.00 0.22 -0.98 0.00 0.00 0.00 176.54 175.72 2bw2 s TRP 46 N -3.38 3.52 -0.28 5.60 0.52 0.25 -4.90 118.94 120.27 2bw2 s TRP 46 Ca 0.05 1.10 -0.23 0.00 0.02 0.00 0.00 56.10 57.05 2bw2 s TRP 46 Cb 0.08 -2.52 -0.01 0.00 -1.15 0.00 0.00 33.47 29.88 2bw2 s TRP 46 CO 0.56 -0.31 0.75 0.99 0.02 0.00 0.00 176.95 178.96 2bw2 s THR 47 N -2.66 4.86 -0.37 2.01 2.01 0.20 -4.84 115.64 116.85 2bw2 s THR 47 Ca 0.52 1.20 -0.29 0.00 0.31 0.00 0.00 61.69 63.44 2bw2 s THR 47 Cb -0.10 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.34 2bw2 s THR 47 CO 0.39 -0.15 1.28 -0.22 -0.69 0.00 0.00 174.62 175.23 2bw2 s LEU 48 N 2.81 3.75 -0.16 4.42 1.98 -1.26 -0.82 118.68 129.40 2bw2 s LEU 48 Ca 0.31 0.94 -0.06 0.00 -2.89 0.00 0.00 54.13 52.42 2bw2 s LEU 48 Cb -0.15 -3.54 -0.23 0.00 0.66 0.00 0.00 46.19 42.93 2bw2 s LEU 48 CO 0.11 -1.19 0.22 0.52 -1.89 0.00 0.00 176.35 174.11 2bw2 n VAL 49 N 6.54 1.70 -3.52 1.68 0.31 0.11 -5.00 118.33 120.15 2bw2 n VAL 49 Ca 0.14 -0.58 -0.12 0.00 -0.01 0.00 0.00 64.34 63.77 2bw2 n VAL 49 Cb 0.47 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 2bw2 n VAL 49 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2bw2 s GLU 50 N -2.53 0.86 -0.04 5.55 -1.05 -1.08 -5.03 118.70 115.39 2bw2 s GLU 50 Ca -0.26 -0.07 -0.03 0.00 -0.15 0.00 0.00 54.97 54.46 2bw2 s GLU 50 Cb 0.07 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.18 2bw2 s GLU 50 CO 0.71 -0.33 0.10 1.14 0.95 0.00 0.00 175.26 177.83 2bw2 s GLN 51 N -2.18 0.09 0.19 -4.83 -2.07 -1.26 -0.11 119.66 109.49 2bw2 s GLN 51 Ca -0.01 0.18 0.01 0.00 -1.82 0.00 0.00 55.36 53.71 2bw2 s GLN 51 Cb -0.01 -0.01 -0.05 0.00 -1.09 0.00 0.00 33.01 31.85 2bw2 s GLN 51 CO -0.02 -0.05 0.06 -1.59 -1.32 0.00 0.00 175.29 172.36 2bw2 s LYS 52 N 0.33 1.16 -0.63 9.60 -2.85 0.50 -5.01 119.74 122.85 2bw2 s LYS 52 Ca -0.02 -1.59 -0.26 0.00 -1.00 0.00 0.00 55.97 53.10 2bw2 s LYS 52 Cb -0.04 -0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.61 2bw2 s LYS 52 CO -0.01 -0.24 1.96 0.21 0.10 0.00 0.00 175.35 177.38 2bw2 s LYS 53 N -4.01 2.51 0.00 1.78 2.47 -1.26 -1.69 119.74 119.55 2bw2 s LYS 53 Ca 0.30 0.63 0.00 0.00 -1.56 0.00 0.00 55.97 55.34 2bw2 s LYS 53 Cb 0.07 -4.50 0.00 0.00 -1.46 0.00 0.00 37.83 31.94 2bw2 s LYS 53 CO 0.07 -2.92 0.00 0.41 0.16 0.00 0.00 175.35 173.07 2bw2 n GLY 54 N 5.89 2.23 2.98 5.54 0.00 -1.26 -5.07 105.19 115.49 2bw2 n GLY 54 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 2bw2 n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bw2 s TYR 55 N -2.06 -0.19 -0.03 1.61 6.14 -0.68 -0.39 117.35 121.75 2bw2 s TYR 55 Ca 0.00 0.50 0.05 0.00 0.64 0.00 0.00 57.07 58.25 2bw2 s TYR 55 Cb 0.00 -0.02 -0.01 0.00 0.42 0.00 0.00 41.96 42.36 2bw2 s TYR 55 CO 0.00 -0.15 -0.17 0.08 0.64 0.00 0.00 175.55 175.96 2bw2 s VAL 56 N 0.81 1.37 -0.28 3.14 1.01 0.52 -0.37 120.40 126.60 2bw2 s VAL 56 Ca -0.06 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2bw2 s VAL 56 Cb -0.08 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.18 2bw2 s VAL 56 CO -0.04 0.39 -0.02 -0.22 0.00 0.00 0.00 175.10 175.21 2bw2 s LEU 57 N -0.10 3.62 0.01 3.92 2.96 0.85 -0.77 118.68 129.17 2bw2 s LEU 57 Ca -0.00 -1.11 0.08 0.00 -0.22 0.00 0.00 54.13 52.88 2bw2 s LEU 57 Cb -0.10 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2bw2 s LEU 57 CO 0.01 -0.21 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.22 2bw2 s PHE 58 N 1.28 2.22 -0.01 5.38 0.08 -0.48 -0.71 117.98 125.74 2bw2 s PHE 58 Ca -0.03 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.66 2bw2 s PHE 58 Cb -0.19 -1.38 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2bw2 s PHE 58 CO -0.02 0.04 -0.17 -0.98 -0.10 0.00 0.00 175.22 173.99 2bw2 s ARG 59 N -0.91 1.40 -0.06 0.44 1.70 0.00 -0.71 118.95 120.82 2bw2 s ARG 59 Ca 0.10 -0.62 0.06 0.00 -0.47 0.00 0.00 55.73 54.80 2bw2 s ARG 59 Cb -0.10 -1.36 -0.01 0.00 -0.57 0.00 0.00 34.95 32.92 2bw2 s ARG 59 CO 0.01 0.37 -0.24 0.21 -1.08 0.00 0.00 175.30 174.56 2bw2 s LYS 60 N -0.42 2.49 -0.10 3.89 2.47 0.93 0.62 119.74 129.62 2bw2 s LYS 60 Ca 0.07 -0.88 -0.01 0.00 -1.56 0.00 0.00 55.97 53.59 2bw2 s LYS 60 Cb -0.07 -2.11 -0.03 0.00 -1.46 0.00 0.00 37.83 34.16 2bw2 s LYS 60 CO -0.01 0.37 -0.07 -0.65 0.16 0.00 0.00 175.35 175.15 2bw2 s GLN 61 N -0.15 3.12 0.16 4.03 -0.21 -1.26 0.18 119.66 125.53 2bw2 s GLN 61 Ca -0.04 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.83 2bw2 s GLN 61 Cb -0.14 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 2bw2 s GLN 61 CO 0.04 0.46 0.10 -1.64 -2.12 0.00 0.00 175.29 172.12 2bw2 s MET 62 N -0.27 2.78 0.00 2.91 -1.94 0.25 -4.91 119.30 118.12 2bw2 s MET 62 Ca 0.04 -0.90 0.26 0.00 -1.71 0.00 0.00 55.69 53.37 2bw2 s MET 62 Cb -0.13 -2.59 0.94 0.00 2.01 0.00 0.00 34.83 35.07 2bw2 s MET 62 CO 0.03 0.49 1.68 -0.40 -0.01 0.00 0.00 175.02 176.80 2bw2 n ASP 63 N -0.19 1.63 -4.71 3.03 5.75 -1.26 -4.26 116.55 116.54 2bw2 n ASP 63 Ca -0.09 -1.57 -0.24 0.00 -0.01 0.00 0.00 54.79 52.89 2bw2 n ASP 63 Cb 0.54 -0.03 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bw2 s ASP 64 N -1.90 4.56 0.70 -1.12 2.15 -1.26 -4.90 116.67 114.89 2bw2 s ASP 64 Ca 0.36 -0.85 -0.05 0.00 0.43 0.00 0.00 52.55 52.44 2bw2 s ASP 64 Cb 0.20 -0.66 0.08 0.00 -0.30 0.00 0.00 42.92 42.24 2bw2 s ASP 64 CO 0.32 -0.32 1.00 0.27 -0.17 0.00 0.00 175.17 176.27 2bw2 s ILE 65 N -2.46 2.30 0.57 4.11 -4.36 -1.26 -3.85 121.20 116.24 2bw2 s ILE 65 Ca 0.38 -0.35 -0.20 0.00 -0.26 0.00 0.00 60.65 60.22 2bw2 s ILE 65 Cb -0.01 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.71 2bw2 s ILE 65 CO 0.22 0.00 1.21 -0.44 0.24 0.00 0.00 174.94 176.17 2bw2 s SER 66 N -4.56 5.38 0.33 4.36 0.01 -1.26 -4.87 113.70 113.09 2bw2 s SER 66 Ca 0.61 2.39 0.01 0.00 1.31 0.00 0.00 55.95 60.28 2bw2 s SER 66 Cb -0.09 -2.60 0.58 0.00 0.21 0.00 0.00 66.02 64.12 2bw2 s SER 66 CO 0.44 -1.46 1.98 1.55 0.41 0.00 0.00 173.24 176.16 2bw2 h PRO 67 N 1.13 0.91 -0.05 12.44 0.13 -1.96 -0.59 132.00 144.02 2bw2 h PRO 67 Ca -0.50 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.41 2bw2 h PRO 67 Cb 1.29 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2bw2 h PRO 67 CO 0.56 0.60 -0.68 1.25 -0.23 0.00 0.00 178.00 179.51 2bw2 h LEU 68 N 0.94 0.26 -1.45 1.56 7.12 -1.98 -2.75 115.31 119.01 2bw2 h LEU 68 Ca 0.28 -0.17 -0.04 0.00 0.13 0.00 0.00 57.88 58.09 2bw2 h LEU 68 Cb -0.02 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.02 2bw2 h LEU 68 CO -0.07 0.86 -0.04 -1.28 -0.13 0.00 0.00 178.44 177.77 2bw2 h SER 69 N 0.16 0.28 0.51 1.25 0.87 -1.50 -0.66 113.55 114.46 2bw2 h SER 69 Ca -0.02 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 2bw2 h SER 69 Cb 1.21 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2bw2 h SER 69 CO 0.10 0.37 -0.51 0.11 -0.53 0.00 0.00 176.83 176.38 2bw2 h LYS 70 N 0.29 0.00 0.00 2.24 1.57 -1.00 0.63 116.57 120.30 2bw2 h LYS 70 Ca 0.07 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 2bw2 h LYS 70 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2bw2 h LYS 70 CO 0.01 0.51 -0.87 -0.39 -0.57 0.00 0.00 179.45 178.14 2bw2 h VAL 71 N 0.00 1.12 0.00 0.50 -1.51 -1.16 -3.38 116.25 111.81 2bw2 h VAL 71 Ca -0.01 -2.65 0.00 0.00 -1.23 0.00 0.00 66.70 62.81 2bw2 h VAL 71 Cb 0.90 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.59 2bw2 h VAL 71 CO 0.07 0.64 0.00 -3.20 -1.23 0.00 0.00 177.57 173.84 2bw2 n ASN 72 N -3.22 0.00 -0.77 4.19 5.15 -0.36 -4.99 115.26 115.26 2bw2 n ASN 72 Ca -0.01 0.22 -0.08 0.00 -0.60 0.00 0.00 54.58 54.10 2bw2 n ASN 72 Cb 0.84 -0.30 -0.02 0.00 -0.53 0.00 0.00 39.78 39.77 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 2.11 0.56 3.11 8.20 0.00 0.22 -4.54 105.19 114.85 2bw2 n GLY 73 Ca 0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.35 3.37 -0.09 1.61 1.51 -1.24 -2.83 117.35 117.31 2bw2 s TYR 74 Ca 0.00 -2.24 -0.16 0.00 -1.01 0.00 0.00 57.07 53.67 2bw2 s TYR 74 Cb 0.00 -2.28 -0.05 0.00 -0.11 0.00 0.00 41.96 39.53 2bw2 s TYR 74 CO 0.00 -0.87 0.40 0.42 -1.11 0.00 0.00 175.55 174.39 2bw2 s ILE 75 N 1.14 5.18 -0.24 2.71 1.01 -1.26 -2.47 121.20 127.27 2bw2 s ILE 75 Ca -0.03 0.79 0.01 0.00 0.00 0.00 0.00 60.65 61.43 2bw2 s ILE 75 Cb -0.20 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.60 2bw2 s ILE 75 CO -0.04 0.43 -0.08 -0.83 0.00 0.00 0.00 174.94 174.42 2bw2 s GLY 76 N 0.01 1.41 -0.14 6.18 0.00 0.92 -3.55 107.32 112.15 2bw2 s GLY 76 Ca 0.22 -1.47 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 2bw2 s GLY 76 CO 0.09 0.80 -0.04 0.14 0.00 0.00 0.00 173.10 174.09 2bw2 s VAL 77 N 1.30 3.89 0.51 1.40 1.01 -0.41 -2.27 120.40 125.84 2bw2 s VAL 77 Ca -0.06 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2bw2 s VAL 77 Cb -0.19 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.54 2bw2 s VAL 77 CO -0.06 0.52 0.72 -0.44 0.00 0.00 0.00 175.10 175.83 2bw2 s SER 78 N 0.11 5.36 0.53 3.32 0.01 -0.97 -4.16 113.70 117.90 2bw2 s SER 78 Ca -0.01 -0.19 0.29 0.00 1.31 0.00 0.00 55.95 57.35 2bw2 s SER 78 Cb -0.14 -0.73 1.45 0.00 0.21 0.00 0.00 66.02 66.81 2bw2 s SER 78 CO 0.03 -1.05 1.94 -0.78 0.41 0.00 0.00 173.24 173.79 2bw2 h ASP 79 N 0.24 0.00 -0.13 2.44 3.58 -1.98 0.31 116.42 120.88 2bw2 h ASP 79 Ca -0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2bw2 h ASP 79 Cb 1.29 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2bw2 h ASP 79 CO 0.49 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.44 2bw2 n ASN 80 N -4.32 1.08 -1.35 2.28 5.03 -1.26 -4.55 115.26 112.18 2bw2 n ASN 80 Ca 0.15 -2.05 -0.09 0.00 0.87 0.00 0.00 54.58 53.46 2bw2 n ASN 80 Cb 0.81 -0.22 0.02 0.00 -1.02 0.00 0.00 39.78 39.36 2bw2 n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bw2 n GLY 81 N 0.54 0.25 3.59 7.41 0.00 0.10 -1.79 105.19 115.30 2bw2 n GLY 81 Ca 0.05 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.82 3.97 -0.05 1.61 1.01 -1.03 -1.14 120.40 121.94 2bw2 s VAL 82 Ca 0.13 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2bw2 s VAL 82 Cb -0.06 -4.38 0.04 0.00 0.00 0.00 0.00 36.38 31.98 2bw2 s VAL 82 CO 0.16 -0.94 1.68 -0.38 0.00 0.00 0.00 175.10 175.62 2bw2 n ILE 83 N 6.97 1.80 -2.78 2.22 2.08 0.58 -2.28 119.36 127.95 2bw2 n ILE 83 Ca 0.14 -0.51 -0.21 0.00 0.56 0.00 0.00 62.75 62.73 2bw2 n ILE 83 Cb 0.49 -1.29 0.03 0.00 -0.75 0.00 0.00 39.64 38.11 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 1.37 5.47 0.02 4.38 0.01 -0.96 -4.09 113.70 119.90 2bw2 s SER 84 Ca 0.05 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.36 2bw2 s SER 84 Cb 0.04 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 2bw2 s SER 84 CO 0.00 -0.98 0.07 0.42 0.41 0.00 0.00 173.24 173.16 2bw2 s THR 85 N -2.67 4.55 0.22 1.44 -4.23 -1.26 -0.06 115.64 113.64 2bw2 s THR 85 Ca 0.54 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2bw2 s THR 85 Cb -0.10 -3.11 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2bw2 s THR 85 CO 0.38 0.28 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.37 2bw2 s PHE 86 N -1.24 1.49 -0.60 3.99 0.40 -1.03 -0.35 117.98 120.64 2bw2 s PHE 86 Ca 0.24 -0.93 -0.22 0.00 -0.60 0.00 0.00 56.93 55.42 2bw2 s PHE 86 Cb -0.12 -0.86 0.07 0.00 0.51 0.00 0.00 43.02 42.62 2bw2 s PHE 86 CO 0.16 -0.07 0.86 -1.01 0.70 0.00 0.00 175.22 175.86 2bw2 s HIS 87 N -3.46 2.81 0.00 0.36 3.76 -1.23 -4.52 115.29 113.01 2bw2 s HIS 87 Ca 0.27 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 2bw2 s HIS 87 Cb 0.06 -4.08 0.00 0.00 1.11 0.00 0.00 32.58 29.67 2bw2 s HIS 87 CO 0.08 -1.43 0.00 0.41 -0.85 0.00 0.00 174.74 172.95 2bw2 n GLY 88 N 5.25 -0.78 3.35 -2.22 0.00 -1.26 -4.81 105.19 104.72 2bw2 n GLY 88 Ca -0.04 -1.16 -0.58 0.00 0.00 0.00 0.00 46.02 44.24 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 0.36 -2.81 1.61 5.12 -1.26 -4.89 116.66 114.79 2bw2 n ARG 89 Ca 0.00 0.10 -0.43 0.00 -1.93 0.00 0.00 57.85 55.60 2bw2 n ARG 89 Cb 0.00 -1.81 -0.04 0.00 -1.16 0.00 0.00 32.46 29.45 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 5.81 3.67 0.10 5.56 0.04 -1.26 -4.82 135.00 144.11 2bw2 s PRO 90 Ca 1.15 0.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2bw2 s PRO 90 Cb -1.29 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 29.34 2bw2 s PRO 90 CO 0.62 -1.10 0.04 -1.83 0.04 0.00 0.00 177.00 174.77 2bw2 s GLU 91 N 3.63 0.82 0.44 4.56 -1.05 -1.26 -4.83 118.70 121.02 2bw2 s GLU 91 Ca 0.38 -1.34 0.31 0.00 -0.15 0.00 0.00 54.97 54.16 2bw2 s GLU 91 Cb -0.11 0.24 1.39 0.00 -0.44 0.00 0.00 34.13 35.21 2bw2 s GLU 91 CO 0.23 -0.21 1.91 -1.00 0.95 0.00 0.00 175.26 177.14 2bw2 h PRO 92 N 2.95 0.00 -0.26 -4.83 0.13 -1.99 0.08 132.00 128.08 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2bw2 h PRO 92 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 2bw2 n ALA 93 N -1.94 2.48 -2.12 -0.56 0.00 -1.26 -4.88 120.51 112.23 2bw2 n ALA 93 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 53.44 52.53 2bw2 n ALA 93 Cb 0.20 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2bw2 n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bw2 s SER 94 N -1.51 5.24 -0.28 0.00 0.15 0.01 -5.09 113.70 112.22 2bw2 s SER 94 Ca 0.34 -0.70 -0.11 0.00 0.70 0.00 0.00 55.95 56.18 2bw2 s SER 94 Cb 0.19 -0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 2bw2 s SER 94 CO 0.28 -0.88 0.20 -1.61 1.20 0.00 0.00 173.24 172.42 2bw2 s GLU 95 N -4.34 3.96 0.26 5.44 2.02 -1.26 -4.85 118.70 119.93 2bw2 s GLU 95 Ca 0.52 -0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.91 2bw2 s GLU 95 Cb -0.06 -3.65 -0.09 0.00 0.10 0.00 0.00 34.13 30.42 2bw2 s GLU 95 CO 0.31 -0.17 1.03 -1.25 0.02 0.00 0.00 175.26 175.21 2bw2 s PRO 96 N 1.74 4.73 0.08 0.39 0.04 -1.26 -3.55 135.00 137.17 2bw2 s PRO 96 Ca 0.07 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.66 2bw2 s PRO 96 Cb -0.16 -3.23 -0.22 0.00 0.04 0.00 0.00 34.50 30.94 2bw2 s PRO 96 CO 0.11 0.34 1.20 0.82 0.04 0.00 0.00 177.00 179.51 2bw2 h ILE 97 N 3.14 1.29 -1.73 0.56 2.04 -1.05 -3.48 117.51 118.28 2bw2 h ILE 97 Ca -0.46 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.12 2bw2 h ILE 97 Cb 1.21 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 2bw2 h ILE 97 CO 0.67 0.70 0.00 0.00 0.00 0.00 0.00 178.15 179.53 2bw2 n GLN 98 N -3.84 0.00 -3.70 2.37 0.00 -1.26 -4.83 117.38 106.12 2bw2 n GLN 98 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.76 2bw2 n GLN 98 Cb 0.88 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.99 2bw2 n GLN 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2bw2 s SER 99 N -0.22 0.04 0.00 2.61 0.01 -1.26 -4.40 113.70 110.48 2bw2 s SER 99 Ca 0.00 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2bw2 s SER 99 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2bw2 s SER 99 CO 0.00 -0.20 0.00 0.49 0.41 0.00 0.00 173.24 173.94 2bw2 n PHE 100 N 4.70 0.00 -3.69 2.43 3.72 -1.26 -4.99 117.46 118.38 2bw2 n PHE 100 Ca -0.17 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.01 2bw2 n PHE 100 Cb 0.51 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.02 2bw2 n PHE 100 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2bw2 s PHE 101 N 0.15 2.72 -0.11 1.38 0.40 -1.26 -4.89 117.98 116.37 2bw2 s PHE 101 Ca 0.00 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.85 2bw2 s PHE 101 Cb 0.00 -2.08 0.03 0.00 0.51 0.00 0.00 43.02 41.48 2bw2 s PHE 101 CO 0.00 -0.03 -0.07 -0.65 0.70 0.00 0.00 175.22 175.18 2bw2 s GLN 102 N -4.07 1.41 0.16 0.44 -0.21 -1.21 -0.31 119.66 115.88 2bw2 s GLN 102 Ca 0.46 -0.21 0.05 0.00 0.02 0.00 0.00 55.36 55.68 2bw2 s GLN 102 Cb -0.03 -1.52 -0.04 0.00 1.00 0.00 0.00 33.01 32.42 2bw2 s GLN 102 CO 0.27 -0.27 -0.10 0.96 -2.12 0.00 0.00 175.29 174.02 2bw2 s ILE 103 N 1.74 1.24 -0.45 1.08 -4.36 -0.29 -3.61 121.20 116.55 2bw2 s ILE 103 Ca 0.05 -2.08 -0.29 0.00 -0.26 0.00 0.00 60.65 58.07 2bw2 s ILE 103 Cb -0.13 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.70 2bw2 s ILE 103 CO -0.08 -0.71 1.43 -1.81 0.24 0.00 0.00 174.94 174.01 2bw2 s ASP 104 N -3.19 6.26 0.32 4.36 1.11 -1.23 -2.66 116.67 121.64 2bw2 s ASP 104 Ca 0.18 0.70 0.11 0.00 0.18 0.00 0.00 52.55 53.73 2bw2 s ASP 104 Cb 0.02 -2.54 0.54 0.00 1.07 0.00 0.00 42.92 42.02 2bw2 s ASP 104 CO 0.02 -1.52 1.72 -0.07 1.18 0.00 0.00 175.17 176.50 2bw2 h LEU 105 N 12.52 0.02 -2.05 1.23 3.38 -1.87 -0.83 115.31 127.71 2bw2 h LEU 105 Ca -0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2bw2 h LEU 105 Cb 1.10 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2bw2 h LEU 105 CO 1.11 0.50 -0.04 1.05 0.09 0.00 0.00 178.44 181.14 2bw2 h GLU 106 N 0.01 0.00 0.00 1.13 4.11 -1.91 -1.89 114.58 116.04 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 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2bw2 h GLU 106 CO 0.06 0.04 -0.78 0.07 0.07 0.00 0.00 179.01 178.48 2bw2 h ARG 107 N 0.00 0.00 -7.14 1.06 0.11 -1.55 -3.46 114.38 103.41 2bw2 h ARG 107 Ca -0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.61 2bw2 h ARG 107 Cb 0.31 0.00 0.21 0.00 1.11 0.00 0.00 29.97 31.61 2bw2 h ARG 107 CO 0.01 0.00 -0.01 1.28 0.10 0.00 0.00 179.97 181.34 2bw2 n LEU 108 N -2.34 0.07 0.00 0.08 7.99 -0.71 -4.99 117.00 117.09 2bw2 n LEU 108 Ca 0.02 0.04 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2bw2 n LEU 108 Cb 0.48 -1.31 0.00 0.00 -0.11 0.00 0.00 43.42 42.48 2bw2 n LEU 108 CO 0.38 -2.94 0.37 -0.62 -1.51 0.00 0.00 177.39 173.07 2bw2 n GLU 109 N -4.50 0.00 0.01 3.23 1.02 -1.26 -5.00 120.64 114.14 2bw2 n GLU 109 Ca 0.06 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2bw2 n GLU 109 Cb 0.54 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bw2 n SER 110 N -1.22 -0.14 0.16 1.62 2.88 -1.26 -4.98 113.62 110.68 2bw2 n SER 110 Ca 0.00 0.06 0.01 0.00 -1.33 0.00 0.00 58.87 57.61 2bw2 n SER 110 Cb 0.00 0.32 0.32 0.00 -0.75 0.00 0.00 64.21 64.10 2bw2 n SER 110 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2bw2 h HIS 111 N 0.00 0.07 -0.24 0.66 -0.00 -1.99 -2.78 115.15 110.88 2bw2 h HIS 111 Ca 0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.41 2bw2 h HIS 111 Cb 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 27.32 2bw2 h HIS 111 CO 0.00 0.44 -0.28 0.52 -0.00 0.00 0.00 177.93 178.61 2bw2 h MET 112 N 0.06 -0.28 -0.16 5.26 2.86 -1.97 0.30 114.93 120.99 2bw2 h MET 112 Ca 0.00 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 2bw2 h MET 112 Cb 0.70 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2bw2 h MET 112 CO 0.05 -0.19 -0.38 -0.56 1.06 0.00 0.00 176.91 176.89 2bw2 h GLN 113 N -0.29 0.34 -0.50 1.72 3.07 -1.85 -2.49 115.11 115.11 2bw2 h GLN 113 Ca 0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 58.65 58.66 2bw2 h GLN 113 Cb 0.50 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 2bw2 h GLN 113 CO -0.40 0.67 0.08 0.87 0.09 0.00 0.00 178.83 180.14 2bw2 h LYS 114 N 0.29 0.78 -0.83 0.06 1.79 -1.25 -0.15 116.57 117.25 2bw2 h LYS 114 Ca 0.03 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 2bw2 h LYS 114 Cb 0.80 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.30 2bw2 h LYS 114 CO 0.06 0.74 0.43 -0.91 -1.08 0.00 0.00 179.45 178.69 2bw2 h ASN 115 N 0.75 1.05 0.67 0.86 2.35 -0.52 -1.18 115.58 119.56 2bw2 h ASN 115 Ca 0.16 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 2bw2 h ASN 115 Cb 0.34 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2bw2 h ASN 115 CO 0.01 0.87 -0.38 -0.07 -1.65 0.00 0.00 177.43 176.21 2bw2 h LEU 116 N 1.16 0.00 -0.11 1.61 3.38 -1.07 -0.87 115.31 119.42 2bw2 h LEU 116 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2bw2 h LEU 116 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2bw2 h LEU 116 CO -0.04 0.38 -0.40 -0.07 0.09 0.00 0.00 178.44 178.40 2bw2 h LEU 117 N 0.00 0.54 0.00 1.67 3.38 0.07 -1.07 115.31 119.90 2bw2 h LEU 117 Ca -0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2bw2 h LEU 117 Cb 0.81 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2bw2 h LEU 117 CO 0.05 1.07 -0.53 0.07 0.09 0.00 0.00 178.44 179.18 2bw2 h LYS 118 N 0.04 0.00 0.00 1.13 -0.00 -1.22 -3.41 116.57 113.11 2bw2 h LYS 118 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 2bw2 h LYS 118 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.26 2bw2 h LYS 118 CO 0.08 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.94 2bw2 n GLY 119 N 1.21 2.16 3.73 0.07 0.00 -0.34 -4.41 105.19 107.60 2bw2 n GLY 119 Ca 0.02 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2bw2 n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bw2 s ILE 120 N -1.01 4.46 -1.87 -0.61 -1.09 -1.23 -4.84 121.20 115.00 2bw2 s ILE 120 Ca 0.00 1.97 0.31 0.00 -2.23 0.00 0.00 60.65 60.70 2bw2 s ILE 120 Cb 0.00 -4.26 0.79 0.00 -1.58 0.00 0.00 42.46 37.42 2bw2 s ILE 120 CO 0.00 0.27 2.16 -0.81 -1.23 0.00 0.00 174.94 175.33 2bw2 n PRO 121 N 3.02 0.88 -3.65 2.79 -0.04 -1.26 -3.68 135.00 133.06 2bw2 n PRO 121 Ca 0.04 -0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 2bw2 n PRO 121 Cb 0.49 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.15 -0.05 -0.15 0.54 5.36 -1.13 -4.86 117.98 115.54 2bw2 s PHE 122 Ca 0.43 0.13 -0.14 0.00 -0.96 0.00 0.00 56.93 56.38 2bw2 s PHE 122 Cb 0.22 0.46 0.04 0.00 -0.34 0.00 0.00 43.02 43.39 2bw2 s PHE 122 CO 0.39 -0.03 0.41 0.50 -1.46 0.00 0.00 175.22 175.03 2bw2 s ARG 123 N 0.09 0.49 0.45 10.12 6.06 -1.23 -4.92 118.95 130.02 2bw2 s ARG 123 Ca 0.06 0.53 0.06 0.00 -2.50 0.00 0.00 55.73 53.89 2bw2 s ARG 123 Cb -0.05 0.24 -0.03 0.00 0.06 0.00 0.00 34.95 35.17 2bw2 s ARG 123 CO -0.15 -0.07 0.20 0.99 -2.50 0.00 0.00 175.30 173.77 2bw2 s THR 124 N 0.13 2.06 0.17 4.11 2.01 -1.26 -4.75 115.64 118.12 2bw2 s THR 124 Ca -0.01 -1.69 -0.14 0.00 0.31 0.00 0.00 61.69 60.16 2bw2 s THR 124 Cb -0.03 -2.75 0.06 0.00 0.01 0.00 0.00 72.50 69.79 2bw2 s THR 124 CO 0.01 0.00 1.79 0.07 -0.69 0.00 0.00 174.62 175.80 2bw2 h LYS 125 N 1.29 0.47 0.00 4.92 2.10 -1.97 0.70 116.57 124.08 2bw2 h LYS 125 Ca -0.42 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.11 2bw2 h LYS 125 Cb 1.27 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 2bw2 h LYS 125 CO 0.68 0.31 -0.58 0.00 -2.00 0.00 0.00 179.45 177.86 2bw2 h ALA 126 N 1.24 0.72 -0.04 0.07 0.00 -1.97 -2.82 119.26 116.45 2bw2 h ALA 126 Ca 0.20 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2bw2 h ALA 126 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bw2 h ALA 126 CO -0.13 0.52 -0.76 0.93 0.00 0.00 0.00 179.25 179.80 2bw2 h GLU 127 N 0.00 0.27 0.32 0.00 5.08 -1.84 -1.99 114.58 116.42 2bw2 h GLU 127 Ca -0.03 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2bw2 h GLU 127 Cb 1.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2bw2 h GLU 127 CO 0.05 0.91 -0.15 0.35 -1.00 0.00 0.00 179.01 179.16 2bw2 h PHE 128 N 0.17 -0.40 0.00 4.33 3.04 -0.63 0.60 116.94 124.05 2bw2 h PHE 128 Ca -0.03 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.88 2bw2 h PHE 128 Cb 1.34 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.98 2bw2 h PHE 128 CO 0.03 -0.16 -0.12 1.05 -2.02 0.00 0.00 178.31 177.09 2bw2 h GLU 129 N -0.57 0.00 -0.04 1.11 4.11 -1.55 0.90 114.58 118.54 2bw2 h GLU 129 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2bw2 h GLU 129 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2bw2 h GLU 129 CO 0.07 0.12 -0.03 0.22 0.07 0.00 0.00 179.01 179.46 2bw2 h ASP 130 N 0.00 0.09 -0.34 3.06 1.82 -0.85 0.19 116.42 120.39 2bw2 h ASP 130 Ca -0.00 -0.47 -0.15 0.00 -0.39 0.00 0.00 57.03 56.02 2bw2 h ASP 130 Cb 0.28 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 2bw2 h ASP 130 CO 0.02 0.54 -0.34 1.62 -1.61 0.00 0.00 179.24 179.47 2bw2 h VAL 131 N -0.36 1.27 -0.37 2.25 3.04 -0.62 -2.80 116.25 118.67 2bw2 h VAL 131 Ca 0.01 -1.51 -0.08 0.00 -1.01 0.00 0.00 66.70 64.11 2bw2 h VAL 131 Cb 0.52 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 31.12 2bw2 h VAL 131 CO 0.01 0.50 -0.08 0.40 -1.01 0.00 0.00 177.57 177.39 2bw2 h ILE 132 N 0.73 1.24 0.00 3.17 5.03 -0.78 -0.66 117.51 126.24 2bw2 h ILE 132 Ca 0.07 -1.04 -0.08 0.00 -0.12 0.00 0.00 64.86 63.69 2bw2 h ILE 132 Cb 0.91 1.05 -0.01 0.00 -3.03 0.00 0.00 36.82 35.74 2bw2 h ILE 132 CO 0.08 0.35 -0.39 1.05 -0.68 0.00 0.00 178.15 178.56 2bw2 h GLU 133 N 0.58 0.00 -0.11 2.37 4.11 -0.54 0.11 114.58 121.10 2bw2 h GLU 133 Ca 0.11 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.31 2bw2 h GLU 133 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2bw2 h GLU 133 CO 0.03 0.39 -0.82 1.25 0.07 0.00 0.00 179.01 179.93 2bw2 h HIS 134 N 0.00 0.96 -0.33 2.06 2.76 -1.13 -2.16 115.15 117.32 2bw2 h HIS 134 Ca -0.00 -0.45 -0.02 0.00 -2.20 0.00 0.00 60.37 57.70 2bw2 h HIS 134 Cb 0.77 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 2bw2 h HIS 134 CO 0.00 1.27 0.14 0.52 -1.30 0.00 0.00 177.93 178.56 2bw2 h MET 135 N 0.46 0.49 0.00 5.26 2.86 -0.47 -2.34 114.93 121.19 2bw2 h MET 135 Ca -0.06 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2bw2 h MET 135 Cb 1.45 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2bw2 h MET 135 CO 0.16 0.47 0.00 1.57 1.06 0.00 0.00 176.91 180.18 2bw2 h LYS 136 N 0.39 0.00 0.00 1.72 2.10 -0.81 -0.36 116.57 119.62 2bw2 h LYS 136 Ca 0.11 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.73 2bw2 h LYS 136 Cb 0.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2bw2 h LYS 136 CO -0.01 0.00 -0.16 0.00 -2.00 0.00 0.00 179.45 177.28 2bw2 h THR 137 N 0.00 0.49 0.00 0.07 1.03 -0.81 -3.12 112.91 110.58 2bw2 h THR 137 Ca 0.00 -0.82 0.00 0.00 -0.01 0.00 0.00 66.41 65.58 2bw2 h THR 137 Cb 0.50 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 2bw2 h THR 137 CO 0.00 0.16 -0.36 1.88 -0.01 0.00 0.00 175.52 177.19 2bw2 h TYR 138 N 0.00 0.00 0.00 0.00 0.05 -1.28 -3.47 116.97 112.27 2bw2 h TYR 138 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2bw2 h TYR 138 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2bw2 h TYR 138 CO 0.00 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 175.98 2bw2 n SER 139 N -4.23 -3.56 0.00 3.88 3.41 -0.24 -4.92 113.62 107.96 2bw2 n SER 139 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2bw2 n SER 139 Cb 0.19 -2.57 0.00 0.00 -0.26 0.00 0.00 64.21 61.56 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49