#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 4.48 0.52 0.00 2.12 -1.26 -5.04 118.70 119.52 2bw2 s GLU 2 Ca 0.00 1.03 0.03 0.00 0.36 0.00 0.00 54.97 56.39 2bw2 s GLU 2 Cb 0.00 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 31.01 2bw2 s GLU 2 CO 0.00 0.22 0.18 0.14 -0.54 0.00 0.00 175.26 175.27 2bw2 s VAL 3 N 0.17 1.40 -0.37 3.70 -7.23 -1.26 -5.09 120.40 111.72 2bw2 s VAL 3 Ca 0.39 -1.77 -0.20 0.00 -1.81 0.00 0.00 61.98 58.59 2bw2 s VAL 3 Cb -0.20 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.58 2bw2 s VAL 3 CO 0.22 0.00 0.63 -1.61 -0.31 0.00 0.00 175.10 174.03 2bw2 s GLU 4 N -4.06 3.60 0.20 4.82 2.02 -1.26 -5.05 118.70 118.96 2bw2 s GLU 4 Ca 0.19 -0.05 -0.03 0.00 0.02 0.00 0.00 54.97 55.10 2bw2 s GLU 4 Cb -0.00 -3.84 0.04 0.00 0.10 0.00 0.00 34.13 30.44 2bw2 s GLU 4 CO 0.11 -0.79 0.27 0.72 0.02 0.00 0.00 175.26 175.60 2bw2 n HIS 5 N 6.07 -3.90 0.15 1.61 8.25 -1.26 -4.96 115.22 121.17 2bw2 n HIS 5 Ca -0.02 -0.26 0.12 0.00 -0.26 0.00 0.00 57.72 57.30 2bw2 n HIS 5 Cb 0.48 -0.21 0.07 0.00 1.12 0.00 0.00 29.99 31.45 2bw2 n HIS 5 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2bw2 h TYR 6 N -1.06 0.00 -3.44 4.41 -1.99 -1.97 -3.43 116.97 109.49 2bw2 h TYR 6 Ca -0.09 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.11 2bw2 h TYR 6 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 2bw2 h TYR 6 CO 0.00 0.00 0.41 -1.21 -0.00 0.00 0.00 178.16 177.36 2bw2 s GLU 7 N -3.30 4.58 0.82 4.88 0.41 -1.26 -5.03 118.70 119.80 2bw2 s GLU 7 Ca 0.02 1.52 -0.11 0.00 -0.41 0.00 0.00 54.97 55.99 2bw2 s GLU 7 Cb 0.08 -3.40 0.08 0.00 -1.78 0.00 0.00 34.13 29.11 2bw2 s GLU 7 CO 0.74 0.01 1.09 -1.25 -0.49 0.00 0.00 175.26 175.36 2bw2 s PRO 8 N 0.57 1.89 -0.35 0.39 0.04 -1.26 -4.86 135.00 131.43 2bw2 s PRO 8 Ca 0.51 0.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 2bw2 s PRO 8 Cb -0.24 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2bw2 s PRO 8 CO 0.30 -1.81 0.41 -1.17 0.04 0.00 0.00 177.00 174.77 2bw2 s LEU 9 N -5.95 4.42 -0.60 -3.56 1.98 0.21 -4.76 118.68 110.42 2bw2 s LEU 9 Ca 0.62 -0.17 -0.28 0.00 -2.89 0.00 0.00 54.13 51.40 2bw2 s LEU 9 Cb -0.16 -2.42 0.03 0.00 0.66 0.00 0.00 46.19 44.30 2bw2 s LEU 9 CO 0.56 -0.39 1.24 -1.10 -1.89 0.00 0.00 176.35 174.77 2bw2 s GLN 10 N 2.13 3.44 -0.22 1.98 -0.21 -1.26 -0.66 119.66 124.87 2bw2 s GLN 10 Ca 0.14 0.22 -0.05 0.00 0.02 0.00 0.00 55.36 55.69 2bw2 s GLN 10 Cb -0.16 -4.05 -0.02 0.00 1.00 0.00 0.00 33.01 29.78 2bw2 s GLN 10 CO 0.12 -1.79 -0.01 0.08 -2.12 0.00 0.00 175.29 171.58 2bw2 s VAL 11 N 5.24 3.75 -0.42 1.09 1.01 0.57 -4.41 120.40 127.23 2bw2 s VAL 11 Ca 0.43 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 2bw2 s VAL 11 Cb -0.08 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2bw2 s VAL 11 CO 0.24 0.41 0.38 -2.28 0.00 0.00 0.00 175.10 173.85 2bw2 s HIS 12 N 1.32 3.20 -0.16 5.22 2.46 0.86 -0.27 115.29 127.92 2bw2 s HIS 12 Ca 0.04 -0.46 -0.07 0.00 0.47 0.00 0.00 55.06 55.04 2bw2 s HIS 12 Cb -0.15 -2.78 -0.04 0.00 -0.13 0.00 0.00 32.58 29.48 2bw2 s HIS 12 CO 0.00 -0.66 0.08 0.14 -2.47 0.00 0.00 174.74 171.83 2bw2 s VAL 13 N 1.96 4.97 -0.35 0.89 -7.23 0.73 -0.56 120.40 120.80 2bw2 s VAL 13 Ca 0.09 0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 60.19 2bw2 s VAL 13 Cb -0.18 -3.21 0.02 0.00 0.56 0.00 0.00 36.38 33.58 2bw2 s VAL 13 CO 0.12 0.52 0.17 -1.58 -0.31 0.00 0.00 175.10 174.02 2bw2 s GLN 14 N -0.15 2.89 -0.45 4.82 -0.44 -0.25 -0.55 119.66 125.52 2bw2 s GLN 14 Ca 0.08 -1.02 -0.09 0.00 -2.50 0.00 0.00 55.36 51.83 2bw2 s GLN 14 Cb -0.12 -3.63 0.10 0.00 -1.64 0.00 0.00 33.01 27.73 2bw2 s GLN 14 CO 0.01 -0.63 0.31 -0.51 0.50 0.00 0.00 175.29 174.98 2bw2 s LEU 15 N 1.53 5.51 0.26 3.68 1.43 0.73 -0.96 118.68 130.85 2bw2 s LEU 15 Ca 0.02 -1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 51.18 2bw2 s LEU 15 Cb -0.19 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 2bw2 s LEU 15 CO 0.06 -0.64 0.70 -1.61 0.23 0.00 0.00 176.35 175.09 2bw2 s GLU 16 N 1.38 4.10 -0.35 1.70 2.02 0.17 -1.81 118.70 125.92 2bw2 s GLU 16 Ca 0.05 0.72 0.01 0.00 0.02 0.00 0.00 54.97 55.77 2bw2 s GLU 16 Cb -0.25 -2.69 0.09 0.00 0.10 0.00 0.00 34.13 31.38 2bw2 s GLU 16 CO 0.00 0.30 0.07 0.15 0.02 0.00 0.00 175.26 175.81 2bw2 s LYS 17 N -2.42 1.83 -0.54 1.61 -0.14 0.18 -0.11 119.74 120.15 2bw2 s LYS 17 Ca 0.47 -1.73 -0.21 0.00 -1.36 0.00 0.00 55.97 53.14 2bw2 s LYS 17 Cb -0.14 -3.28 0.06 0.00 -1.68 0.00 0.00 37.83 32.79 2bw2 s LYS 17 CO 0.19 -0.90 0.76 0.08 -0.76 0.00 0.00 175.35 174.72 2bw2 s VAL 18 N 1.03 4.66 0.13 3.17 1.01 0.82 -2.37 120.40 128.85 2bw2 s VAL 18 Ca 0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 2bw2 s VAL 18 Cb -0.20 -4.42 -0.07 0.00 0.00 0.00 0.00 36.38 31.69 2bw2 s VAL 18 CO -0.06 -0.97 0.57 -0.31 0.00 0.00 0.00 175.10 174.33 2bw2 s TYR 19 N 3.19 3.68 0.31 5.22 1.51 -0.11 -3.82 117.35 127.32 2bw2 s TYR 19 Ca 0.21 1.16 0.01 0.00 -1.01 0.00 0.00 57.07 57.44 2bw2 s TYR 19 Cb -0.17 -2.44 0.55 0.00 -0.11 0.00 0.00 41.96 39.79 2bw2 s TYR 19 CO 0.14 0.47 1.91 -0.07 -1.11 0.00 0.00 175.55 176.89 2bw2 h LEU 20 N 3.86 0.89 0.00 -1.29 3.38 -1.82 -2.12 115.31 118.20 2bw2 h LEU 20 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2bw2 h LEU 20 Cb 1.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2bw2 h LEU 20 CO 0.65 0.56 0.00 -0.90 0.09 0.00 0.00 178.44 178.84 2bw2 n ASP 21 N -4.49 0.00 0.00 -0.43 5.75 -1.26 -4.81 116.55 111.30 2bw2 n ASP 21 Ca 0.14 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 2bw2 n ASP 21 Cb 0.21 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.37 2.75 3.78 6.12 0.00 -0.80 -4.75 105.19 112.66 2bw2 n GLY 22 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.53 6.48 -0.19 1.61 2.15 -1.26 -4.60 116.67 119.34 2bw2 s ASP 23 Ca 0.00 2.14 -0.05 0.00 0.43 0.00 0.00 52.55 55.07 2bw2 s ASP 23 Cb 0.00 -2.59 0.10 0.00 -0.30 0.00 0.00 42.92 40.13 2bw2 s ASP 23 CO 0.00 -0.69 0.35 0.54 -0.17 0.00 0.00 175.17 175.20 2bw2 s VAL 24 N -1.63 -0.55 -0.17 1.11 0.11 -1.25 -0.93 120.40 117.08 2bw2 s VAL 24 Ca 0.61 0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 59.54 2bw2 s VAL 24 Cb -0.24 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2bw2 s VAL 24 CO 0.30 0.00 0.70 -0.44 -3.33 0.00 0.00 175.10 172.33 2bw2 s SER 25 N 2.52 6.81 -0.20 3.54 0.01 -1.00 -4.84 113.70 120.54 2bw2 s SER 25 Ca 0.04 0.98 -0.08 0.00 1.31 0.00 0.00 55.95 58.20 2bw2 s SER 25 Cb -0.13 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2bw2 s SER 25 CO -0.13 -0.28 0.09 -0.63 0.41 0.00 0.00 173.24 172.70 2bw2 s ILE 26 N 1.80 4.87 0.07 1.44 -1.09 -1.26 -0.65 121.20 126.39 2bw2 s ILE 26 Ca 0.33 0.00 0.07 0.00 -2.23 0.00 0.00 60.65 58.82 2bw2 s ILE 26 Cb -0.16 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2bw2 s ILE 26 CO 0.12 0.42 -0.19 -0.70 -1.23 0.00 0.00 174.94 173.35 2bw2 s GLU 27 N 0.69 1.15 -0.23 2.79 2.56 -0.75 -4.97 118.70 119.93 2bw2 s GLU 27 Ca 0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 54.97 53.98 2bw2 s GLU 27 Cb -0.13 -1.31 0.07 0.00 2.00 0.00 0.00 34.13 34.76 2bw2 s GLU 27 CO 0.02 0.32 0.02 -1.01 -0.56 0.00 0.00 175.26 174.04 2bw2 s HIS 28 N -1.03 1.66 0.21 5.30 3.76 -1.26 -0.19 115.29 123.74 2bw2 s HIS 28 Ca 0.05 -1.35 0.09 0.00 -0.15 0.00 0.00 55.06 53.71 2bw2 s HIS 28 Cb -0.09 -1.36 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 2bw2 s HIS 28 CO 0.03 -0.72 -0.07 0.15 -0.85 0.00 0.00 174.74 173.28 2bw2 s LYS 29 N 1.64 2.11 -0.25 1.40 1.02 0.28 -4.95 119.74 121.00 2bw2 s LYS 29 Ca -0.01 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 54.65 2bw2 s LYS 29 Cb -0.18 -2.13 0.06 0.00 -0.52 0.00 0.00 37.83 35.06 2bw2 s LYS 29 CO -0.10 0.40 -0.07 -3.38 -0.92 0.00 0.00 175.35 171.28 2bw2 s HIS 30 N -1.96 2.75 -0.05 3.18 -3.43 -1.26 -0.19 115.29 114.33 2bw2 s HIS 30 Ca 0.27 -2.00 0.05 0.00 -0.80 0.00 0.00 55.06 52.59 2bw2 s HIS 30 Cb -0.08 -1.74 -0.01 0.00 -1.43 0.00 0.00 32.58 29.32 2bw2 s HIS 30 CO 0.17 -0.82 -0.21 -1.83 -2.00 0.00 0.00 174.74 170.05 2bw2 s GLU 31 N 1.28 2.12 -0.32 -0.38 -1.05 0.63 -4.92 118.70 116.05 2bw2 s GLU 31 Ca -0.07 -0.76 -0.15 0.00 -0.15 0.00 0.00 54.97 53.84 2bw2 s GLU 31 Cb -0.19 -1.84 -0.02 0.00 -0.44 0.00 0.00 34.13 31.64 2bw2 s GLU 31 CO -0.06 0.33 0.37 0.15 0.95 0.00 0.00 175.26 177.00 2bw2 s LYS 32 N -0.12 3.70 -0.11 -4.83 1.02 -1.24 -0.31 119.74 117.86 2bw2 s LYS 32 Ca -0.02 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.71 2bw2 s LYS 32 Cb -0.12 -3.76 -0.01 0.00 -0.52 0.00 0.00 37.83 33.42 2bw2 s LYS 32 CO 0.02 -0.45 -0.16 0.08 -0.92 0.00 0.00 175.35 173.92 2bw2 s VAL 33 N 2.05 2.83 0.12 3.17 1.01 0.17 -4.69 120.40 125.06 2bw2 s VAL 33 Ca 0.13 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 2bw2 s VAL 33 Cb -0.16 -2.15 -0.18 0.00 0.00 0.00 0.00 36.38 33.89 2bw2 s VAL 33 CO 0.11 0.54 1.30 -0.26 0.00 0.00 0.00 175.10 176.79 2bw2 h PHE 34 N 6.46 0.78 -3.62 5.22 0.04 -1.89 0.61 116.94 124.55 2bw2 h PHE 34 Ca -0.28 -0.40 -0.66 0.00 2.80 0.00 0.00 57.97 59.43 2bw2 h PHE 34 Cb 1.21 -0.10 -0.37 0.00 2.20 0.00 0.00 35.95 38.89 2bw2 h PHE 34 CO 0.49 1.21 -0.81 0.45 -0.60 0.00 0.00 178.31 179.05 2bw2 s SER 35 N -7.12 3.98 0.56 2.17 0.15 -1.26 -4.44 113.70 107.73 2bw2 s SER 35 Ca -0.07 -1.15 0.24 0.00 0.70 0.00 0.00 55.95 55.67 2bw2 s SER 35 Cb 0.09 -1.47 1.51 0.00 -1.71 0.00 0.00 66.02 64.44 2bw2 s SER 35 CO 0.88 -0.15 2.12 0.24 1.20 0.00 0.00 173.24 177.53 2bw2 h MET 36 N 7.85 0.00 -0.67 5.44 2.86 -1.99 0.51 114.93 128.93 2bw2 h MET 36 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2bw2 h MET 36 Cb 1.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 2bw2 h MET 36 CO 0.50 0.00 0.42 0.22 1.06 0.00 0.00 176.91 179.11 2bw2 h ASP 37 N 0.00 0.78 -0.22 1.22 3.58 -1.97 0.69 116.42 120.50 2bw2 h ASP 37 Ca 0.08 -0.03 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 2bw2 h ASP 37 Cb 0.38 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2bw2 h ASP 37 CO -0.00 0.58 -0.39 -0.78 -2.88 0.00 0.00 179.24 175.77 2bw2 h ASP 38 N 0.91 0.81 -0.25 2.28 3.58 -1.32 -1.79 116.42 120.65 2bw2 h ASP 38 Ca 0.24 -0.37 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2bw2 h ASP 38 Cb -0.07 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 2bw2 h ASP 38 CO -0.05 1.11 0.15 0.15 -2.88 0.00 0.00 179.24 177.72 2bw2 h PHE 39 N 0.63 0.33 -0.74 0.28 3.57 -0.94 0.14 116.94 120.21 2bw2 h PHE 39 Ca 0.05 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2bw2 h PHE 39 Cb 0.94 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 2bw2 h PHE 39 CO 0.05 0.25 0.23 -1.49 -2.23 0.00 0.00 178.31 175.12 2bw2 h TRP 40 N 0.31 1.18 -0.16 0.41 -0.00 -0.73 -1.32 115.95 115.64 2bw2 h TRP 40 Ca 0.09 -0.12 -0.11 0.00 -0.00 0.00 0.00 58.89 58.75 2bw2 h TRP 40 Cb 0.02 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 28.82 2bw2 h TRP 40 CO -0.05 0.93 -0.37 0.00 -0.00 0.00 0.00 178.44 178.96 2bw2 h ALA 41 N 1.12 1.08 -0.52 1.49 0.00 -1.13 0.17 119.26 121.48 2bw2 h ALA 41 Ca 0.24 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2bw2 h ALA 41 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2bw2 h ALA 41 CO -0.01 0.58 -0.09 0.00 0.00 0.00 0.00 179.25 179.74 2bw2 h ALA 42 N 1.32 0.86 -0.42 0.00 0.00 -0.22 -3.12 119.26 117.69 2bw2 h ALA 42 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2bw2 h ALA 42 Cb 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2bw2 h ALA 42 CO 0.06 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.62 2bw2 n TYR 43 N -4.16 0.95 0.11 0.00 4.02 -0.57 -4.62 117.16 112.90 2bw2 n TYR 43 Ca 0.02 -0.65 0.20 0.00 -0.01 0.00 0.00 57.90 57.45 2bw2 n TYR 43 Cb 0.38 -0.19 0.76 0.00 -0.02 0.00 0.00 39.34 40.27 2bw2 n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bw2 h ALA 44 N 2.64 2.07 0.00 -0.72 0.00 -0.60 -0.25 119.26 122.41 2bw2 h ALA 44 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2bw2 h ALA 44 Cb 1.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2bw2 h ALA 44 CO 0.15 -0.59 -0.70 0.78 0.00 0.00 0.00 179.25 178.89 2bw2 h GLY 45 N 0.00 0.00 -1.52 0.00 0.00 -1.84 -3.45 103.07 96.25 2bw2 h GLY 45 Ca 0.18 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.00 2bw2 h GLY 45 CO -0.00 0.00 0.36 -0.98 0.00 0.00 0.00 176.54 175.92 2bw2 s TRP 46 N -2.90 2.92 -0.33 5.60 0.52 -0.11 -4.92 118.94 119.73 2bw2 s TRP 46 Ca 0.03 1.49 -0.22 0.00 0.02 0.00 0.00 56.10 57.42 2bw2 s TRP 46 Cb 0.09 -2.99 0.00 0.00 -1.15 0.00 0.00 33.47 29.42 2bw2 s TRP 46 CO 0.77 -1.33 0.70 0.99 0.02 0.00 0.00 176.95 178.09 2bw2 s THR 47 N -2.72 4.85 -0.37 2.01 2.01 0.14 -4.87 115.64 116.69 2bw2 s THR 47 Ca 0.62 0.84 -0.29 0.00 0.31 0.00 0.00 61.69 63.17 2bw2 s THR 47 Cb -0.16 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2bw2 s THR 47 CO 0.47 -0.28 1.48 -0.22 -0.69 0.00 0.00 174.62 175.38 2bw2 s LEU 48 N 2.82 3.62 -0.14 4.42 1.98 -1.26 -0.96 118.68 129.16 2bw2 s LEU 48 Ca 0.28 1.00 -0.18 0.00 -2.89 0.00 0.00 54.13 52.34 2bw2 s LEU 48 Cb -0.14 -3.54 -0.25 0.00 0.66 0.00 0.00 46.19 42.92 2bw2 s LEU 48 CO 0.14 -1.43 0.46 0.58 -1.89 0.00 0.00 176.35 174.21 2bw2 h VAL 49 N 6.45 1.02 -2.53 1.68 2.07 -1.21 -3.49 116.25 120.24 2bw2 h VAL 49 Ca -0.29 -2.33 0.06 0.00 0.82 0.00 0.00 66.70 64.97 2bw2 h VAL 49 Cb 1.12 2.61 -0.14 0.00 -1.52 0.00 0.00 31.29 33.36 2bw2 h VAL 49 CO 1.07 0.60 0.39 -1.83 0.02 0.00 0.00 177.57 177.82 2bw2 s GLU 50 N -2.43 0.98 -0.04 1.57 -1.05 -1.08 -5.02 118.70 111.63 2bw2 s GLU 50 Ca -0.23 -0.35 -0.06 0.00 -0.15 0.00 0.00 54.97 54.18 2bw2 s GLU 50 Cb 0.04 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 2bw2 s GLU 50 CO 0.71 -0.43 0.15 1.14 0.95 0.00 0.00 175.26 177.79 2bw2 s GLN 51 N -3.31 0.29 0.11 -4.83 -2.07 -1.26 -0.22 119.66 108.36 2bw2 s GLN 51 Ca 0.03 0.02 0.00 0.00 -1.82 0.00 0.00 55.36 53.59 2bw2 s GLN 51 Cb -0.01 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 2bw2 s GLN 51 CO -0.10 -0.05 -0.00 -1.59 -1.32 0.00 0.00 175.29 172.22 2bw2 s LYS 52 N -0.40 0.85 -0.41 9.60 -2.85 0.32 -5.01 119.74 121.85 2bw2 s LYS 52 Ca -0.05 -1.38 -0.27 0.00 -1.00 0.00 0.00 55.97 53.27 2bw2 s LYS 52 Cb -0.03 0.05 -0.07 0.00 -2.06 0.00 0.00 37.83 35.72 2bw2 s LYS 52 CO 0.01 -0.15 2.35 1.17 0.10 0.00 0.00 175.35 178.83 2bw2 n LYS 53 N -0.05 1.33 0.00 1.78 3.00 -1.26 -1.04 118.16 121.91 2bw2 n LYS 53 Ca -0.09 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2bw2 n LYS 53 Cb 0.62 -3.25 0.00 0.00 0.00 0.00 0.00 35.03 32.40 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 5.98 0.66 2.82 3.14 0.00 -1.26 -5.03 105.19 111.50 2bw2 n GLY 54 Ca 0.36 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.17 0.53 -0.04 1.61 6.14 -0.21 -0.10 117.35 123.12 2bw2 s TYR 55 Ca 0.00 -0.10 0.04 0.00 0.64 0.00 0.00 57.07 57.65 2bw2 s TYR 55 Cb 0.00 -0.61 -0.00 0.00 0.42 0.00 0.00 41.96 41.77 2bw2 s TYR 55 CO 0.00 -0.21 -0.16 0.08 0.64 0.00 0.00 175.55 175.90 2bw2 s VAL 56 N 1.34 1.36 -0.28 3.14 1.01 0.27 -0.52 120.40 126.72 2bw2 s VAL 56 Ca -0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2bw2 s VAL 56 Cb -0.13 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2bw2 s VAL 56 CO -0.02 0.40 0.04 -0.22 0.00 0.00 0.00 175.10 175.30 2bw2 s LEU 57 N 0.06 3.62 0.03 3.92 2.96 0.69 -1.09 118.68 128.88 2bw2 s LEU 57 Ca -0.04 -0.68 0.08 0.00 -0.22 0.00 0.00 54.13 53.26 2bw2 s LEU 57 Cb -0.11 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2bw2 s LEU 57 CO 0.02 -0.16 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.32 2bw2 s PHE 58 N 1.47 1.92 -0.02 5.38 0.08 -0.14 -0.58 117.98 126.09 2bw2 s PHE 58 Ca 0.03 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.75 2bw2 s PHE 58 Cb -0.17 -1.16 -0.01 0.00 -0.57 0.00 0.00 43.02 41.11 2bw2 s PHE 58 CO 0.01 0.08 -0.18 -0.98 -0.10 0.00 0.00 175.22 174.04 2bw2 s ARG 59 N -1.08 1.60 -0.12 0.44 1.70 -0.13 -0.66 118.95 120.70 2bw2 s ARG 59 Ca 0.08 -0.65 0.03 0.00 -0.47 0.00 0.00 55.73 54.72 2bw2 s ARG 59 Cb -0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 34.95 32.80 2bw2 s ARG 59 CO 0.01 0.36 -0.23 0.21 -1.08 0.00 0.00 175.30 174.57 2bw2 s LYS 60 N -0.30 3.05 -0.41 3.89 2.47 0.84 0.25 119.74 129.53 2bw2 s LYS 60 Ca 0.04 -0.86 0.04 0.00 -1.56 0.00 0.00 55.97 53.62 2bw2 s LYS 60 Cb -0.08 -2.37 0.11 0.00 -1.46 0.00 0.00 37.83 34.03 2bw2 s LYS 60 CO 0.00 0.10 0.14 -0.65 0.16 0.00 0.00 175.35 175.10 2bw2 s GLN 61 N 0.54 1.62 0.18 4.03 -0.21 -1.26 -0.13 119.66 124.43 2bw2 s GLN 61 Ca -0.14 -2.13 -0.28 0.00 0.02 0.00 0.00 55.36 52.83 2bw2 s GLN 61 Cb -0.17 -3.15 -0.08 0.00 1.00 0.00 0.00 33.01 30.61 2bw2 s GLN 61 CO 0.04 -1.02 0.88 -1.64 -2.12 0.00 0.00 175.29 171.43 2bw2 s MET 62 N 0.45 4.71 -1.21 2.91 -1.94 -1.25 -4.95 119.30 118.02 2bw2 s MET 62 Ca 0.14 1.34 -0.18 0.00 -1.71 0.00 0.00 55.69 55.27 2bw2 s MET 62 Cb -0.22 -3.30 0.08 0.00 2.01 0.00 0.00 34.83 33.41 2bw2 s MET 62 CO -0.05 0.46 1.61 -0.51 -0.01 0.00 0.00 175.02 176.51 2bw2 s ASP 63 N -0.86 6.80 0.00 3.03 1.11 -1.26 -4.65 116.67 120.84 2bw2 s ASP 63 Ca 0.40 -2.31 0.00 0.00 0.18 0.00 0.00 52.55 50.82 2bw2 s ASP 63 Cb -0.24 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.21 2bw2 s ASP 63 CO 0.29 -1.17 0.00 -0.67 1.18 0.00 0.00 175.17 174.80 2bw2 n ASP 64 N 8.01 0.00 -4.90 0.27 2.03 -1.26 -5.13 116.55 115.57 2bw2 n ASP 64 Ca 0.43 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.53 2bw2 n ASP 64 Cb 0.47 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.92 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2bw2 s ILE 65 N -2.00 2.49 0.42 5.18 -4.36 -1.26 -3.62 121.20 118.04 2bw2 s ILE 65 Ca 0.00 -0.71 -0.24 0.00 -0.26 0.00 0.00 60.65 59.44 2bw2 s ILE 65 Cb 0.00 -2.77 -0.08 0.00 1.25 0.00 0.00 42.46 40.86 2bw2 s ILE 65 CO 0.00 0.00 1.11 -0.94 0.24 0.00 0.00 174.94 175.35 2bw2 s SER 66 N -4.54 6.52 0.27 4.36 1.04 -1.26 -4.95 113.70 115.14 2bw2 s SER 66 Ca 0.60 2.18 -0.03 0.00 0.48 0.00 0.00 55.95 59.19 2bw2 s SER 66 Cb -0.08 -2.60 0.40 0.00 0.10 0.00 0.00 66.02 63.84 2bw2 s SER 66 CO 0.40 -0.67 1.89 1.55 0.98 0.00 0.00 173.24 177.39 2bw2 h PRO 67 N 2.37 1.16 -0.13 4.02 0.13 -2.01 -1.79 132.00 135.76 2bw2 h PRO 67 Ca -0.49 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.47 2bw2 h PRO 67 Cb 1.23 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2bw2 h PRO 67 CO 0.62 0.77 -0.39 1.25 -0.23 0.00 0.00 178.00 180.02 2bw2 h LEU 68 N 1.20 0.28 -1.76 1.56 7.12 -2.00 -1.39 115.31 120.32 2bw2 h LEU 68 Ca 0.42 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 2bw2 h LEU 68 Cb 0.12 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.17 2bw2 h LEU 68 CO -0.16 0.65 -0.08 0.28 -0.13 0.00 0.00 178.44 179.00 2bw2 h SER 69 N 0.23 0.00 1.13 1.25 0.02 -1.71 0.27 113.55 114.74 2bw2 h SER 69 Ca 0.02 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2bw2 h SER 69 Cb 0.79 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2bw2 h SER 69 CO 0.06 0.08 -0.53 0.11 -1.14 0.00 0.00 176.83 175.42 2bw2 h LYS 70 N 0.00 0.00 0.04 3.45 1.57 -1.03 -0.39 116.57 120.22 2bw2 h LYS 70 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2bw2 h LYS 70 Cb 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 2bw2 h LYS 70 CO 0.01 0.53 -1.81 1.33 -0.57 0.00 0.00 179.45 178.94 2bw2 n VAL 71 N -3.39 1.67 0.00 0.50 0.24 -0.44 -4.32 118.33 112.60 2bw2 n VAL 71 Ca 0.01 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2bw2 n VAL 71 Cb 0.67 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 2bw2 n VAL 71 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2bw2 n ASN 72 N -3.20 0.00 0.00 -1.34 2.85 0.82 -4.90 115.26 109.49 2bw2 n ASN 72 Ca -0.22 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2bw2 n ASN 72 Cb 1.05 -0.25 0.00 0.00 1.24 0.00 0.00 39.78 41.82 2bw2 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bw2 n GLY 73 N 2.14 0.84 3.54 8.20 0.00 -0.16 -3.79 105.19 115.97 2bw2 n GLY 73 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.31 2.79 0.06 1.61 2.02 -1.05 -4.14 117.35 115.33 2bw2 s TYR 74 Ca 0.00 0.13 -0.23 0.00 -0.37 0.00 0.00 57.07 56.60 2bw2 s TYR 74 Cb 0.00 -4.11 -0.06 0.00 -0.40 0.00 0.00 41.96 37.39 2bw2 s TYR 74 CO 0.00 -1.33 0.70 0.42 -1.57 0.00 0.00 175.55 173.77 2bw2 s ILE 75 N 4.05 4.70 -0.43 2.71 1.01 -1.26 -2.94 121.20 129.04 2bw2 s ILE 75 Ca 0.34 1.50 -0.01 0.00 0.00 0.00 0.00 60.65 62.48 2bw2 s ILE 75 Cb -0.11 -4.05 0.12 0.00 0.01 0.00 0.00 42.46 38.42 2bw2 s ILE 75 CO 0.22 0.43 0.21 -0.83 0.00 0.00 0.00 174.94 174.97 2bw2 s GLY 76 N -0.42 2.08 -0.22 6.18 0.00 0.96 -3.95 107.32 111.94 2bw2 s GLY 76 Ca 0.35 -2.68 -0.07 0.00 0.00 0.00 0.00 44.72 42.32 2bw2 s GLY 76 CO 0.22 1.02 0.05 0.14 0.00 0.00 0.00 173.10 174.53 2bw2 s VAL 77 N 0.85 4.31 0.57 1.40 1.01 -0.90 -2.10 120.40 125.54 2bw2 s VAL 77 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2bw2 s VAL 77 Cb -0.22 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2bw2 s VAL 77 CO -0.05 0.39 0.84 -0.44 0.00 0.00 0.00 175.10 175.84 2bw2 s SER 78 N 1.21 5.47 0.56 3.32 0.01 -0.98 -4.10 113.70 119.18 2bw2 s SER 78 Ca 0.04 0.44 0.27 0.00 1.31 0.00 0.00 55.95 58.01 2bw2 s SER 78 Cb -0.14 -1.42 1.47 0.00 0.21 0.00 0.00 66.02 66.14 2bw2 s SER 78 CO 0.03 -1.07 1.99 -0.78 0.41 0.00 0.00 173.24 173.81 2bw2 h ASP 79 N -0.06 0.00 -0.01 2.44 3.58 -1.98 0.41 116.42 120.81 2bw2 h ASP 79 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 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 0.58 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.53 2bw2 n ASN 80 N -4.09 0.31 -0.12 2.28 3.02 -1.26 -4.47 115.26 110.93 2bw2 n ASN 80 Ca 0.08 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2bw2 n ASN 80 Cb 0.58 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 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 1.00 1.05 3.64 7.41 0.00 0.14 -3.83 105.19 114.60 2bw2 n GLY 81 Ca 0.21 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.24 4.43 -0.07 1.61 1.01 -1.03 -0.25 120.40 123.85 2bw2 s VAL 82 Ca 0.00 1.65 -0.00 0.00 0.00 0.00 0.00 61.98 63.63 2bw2 s VAL 82 Cb 0.00 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 32.11 2bw2 s VAL 82 CO 0.00 -0.43 1.91 -0.38 0.00 0.00 0.00 175.10 176.20 2bw2 n ILE 83 N 5.86 2.08 -2.66 2.22 2.08 0.64 -2.33 119.36 127.25 2bw2 n ILE 83 Ca 0.13 -0.70 -0.23 0.00 0.56 0.00 0.00 62.75 62.51 2bw2 n ILE 83 Cb 0.47 -1.41 0.03 0.00 -0.75 0.00 0.00 39.64 37.98 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 1.52 5.45 -0.02 4.38 0.15 -0.89 -3.71 113.70 120.58 2bw2 s SER 84 Ca 0.07 0.26 0.05 0.00 0.70 0.00 0.00 55.95 57.03 2bw2 s SER 84 Cb 0.05 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.09 2bw2 s SER 84 CO 0.00 -1.04 -0.17 0.42 1.20 0.00 0.00 173.24 173.65 2bw2 s THR 85 N -2.79 2.85 0.43 6.45 -4.23 -1.26 -0.03 115.64 117.05 2bw2 s THR 85 Ca 0.54 -0.93 0.06 0.00 -1.18 0.00 0.00 61.69 60.19 2bw2 s THR 85 Cb -0.10 -2.13 -0.06 0.00 1.34 0.00 0.00 72.50 71.55 2bw2 s THR 85 CO 0.40 0.50 0.05 -0.36 -0.54 0.00 0.00 174.62 174.67 2bw2 s PHE 86 N -0.78 2.42 -0.48 3.99 0.40 -1.15 -0.98 117.98 121.39 2bw2 s PHE 86 Ca 0.12 -0.70 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 2bw2 s PHE 86 Cb -0.10 -1.79 0.11 0.00 0.51 0.00 0.00 43.02 41.74 2bw2 s PHE 86 CO 0.02 0.35 0.38 -1.58 0.70 0.00 0.00 175.22 175.09 2bw2 s HIS 87 N -2.72 3.33 0.00 0.36 2.46 -1.24 -4.59 115.29 112.88 2bw2 s HIS 87 Ca 0.32 -1.48 0.00 0.00 0.47 0.00 0.00 55.06 54.37 2bw2 s HIS 87 Cb 0.07 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 29.11 2bw2 s HIS 87 CO 0.17 -0.94 0.00 0.41 -2.47 0.00 0.00 174.74 171.91 2bw2 n GLY 88 N 5.06 -3.58 3.68 1.59 0.00 -1.26 -4.72 105.19 105.96 2bw2 n GLY 88 Ca -0.11 -1.96 -0.57 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.23 1.06 -1.69 1.61 5.12 -1.26 -4.74 116.66 116.53 2bw2 n ARG 89 Ca 0.00 0.39 -0.38 0.00 -1.93 0.00 0.00 57.85 55.93 2bw2 n ARG 89 Cb 0.00 -2.04 -0.03 0.00 -1.16 0.00 0.00 32.46 29.23 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 2.61 2.37 0.14 5.56 0.04 -1.26 -4.73 135.00 139.73 2bw2 s PRO 90 Ca 0.95 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 2bw2 s PRO 90 Cb -1.07 -4.50 -0.04 0.00 0.04 0.00 0.00 34.50 28.93 2bw2 s PRO 90 CO 0.61 -2.98 0.06 -1.83 0.04 0.00 0.00 177.00 172.90 2bw2 s GLU 91 N 7.69 0.95 0.18 4.56 -1.05 -1.26 -4.84 118.70 124.93 2bw2 s GLU 91 Ca 0.90 -1.45 0.19 0.00 -0.15 0.00 0.00 54.97 54.46 2bw2 s GLU 91 Cb -0.18 0.25 0.84 0.00 -0.44 0.00 0.00 34.13 34.60 2bw2 s GLU 91 CO 0.26 -0.27 1.58 -0.35 0.95 0.00 0.00 175.26 177.43 2bw2 n PRO 92 N -0.11 0.12 0.00 -4.83 -0.04 -1.26 -0.83 135.00 128.05 2bw2 n PRO 92 Ca -0.05 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 2bw2 n PRO 92 Cb 0.64 -1.77 0.47 0.00 -0.04 0.00 0.00 33.50 32.81 2bw2 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bw2 n ALA 93 N -1.69 2.86 -2.30 0.55 0.00 -1.26 -4.82 120.51 113.85 2bw2 n ALA 93 Ca 0.02 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 2bw2 n ALA 93 Cb 0.16 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.32 4.85 0.01 0.00 0.15 -0.01 -5.13 113.70 111.24 2bw2 s SER 94 Ca 0.30 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 56.16 2bw2 s SER 94 Cb 0.20 -0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2bw2 s SER 94 CO 0.45 -0.60 -0.14 -1.83 1.20 0.00 0.00 173.24 172.31 2bw2 s GLU 95 N -4.05 2.28 -0.16 5.44 -1.05 -1.26 -4.77 118.70 115.13 2bw2 s GLU 95 Ca 0.45 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 54.12 2bw2 s GLU 95 Cb -0.01 -2.31 -0.01 0.00 -0.44 0.00 0.00 34.13 31.37 2bw2 s GLU 95 CO 0.26 0.57 1.13 -2.14 0.95 0.00 0.00 175.26 176.03 2bw2 s PRO 96 N -1.30 4.30 0.09 -4.83 0.02 -1.26 -3.71 135.00 128.30 2bw2 s PRO 96 Ca 0.15 1.51 -0.12 0.00 0.02 0.00 0.00 61.00 62.56 2bw2 s PRO 96 Cb -0.11 -3.65 -0.21 0.00 0.02 0.00 0.00 34.50 30.56 2bw2 s PRO 96 CO 0.05 -0.57 1.21 0.82 -0.33 0.00 0.00 177.00 178.18 2bw2 h ILE 97 N 5.33 1.31 -2.83 2.83 2.04 -1.43 -3.48 117.51 121.28 2bw2 h ILE 97 Ca -0.26 -2.31 -0.07 0.00 1.00 0.00 0.00 64.86 63.22 2bw2 h ILE 97 Cb 1.10 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 2bw2 h ILE 97 CO 0.94 0.71 0.08 0.00 0.00 0.00 0.00 178.15 179.88 2bw2 n GLN 98 N -3.82 0.62 -3.54 2.37 0.00 -1.26 -5.00 117.38 106.73 2bw2 n GLN 98 Ca -0.10 -1.50 -0.21 0.00 0.00 0.00 0.00 57.00 55.18 2bw2 n GLN 98 Cb 0.88 1.71 -0.15 0.00 0.00 0.00 0.00 30.24 32.69 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 -2.31 1.69 -0.01 2.61 0.01 -1.26 -4.32 113.70 110.11 2bw2 s SER 99 Ca 0.13 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 2bw2 s SER 99 Cb -0.02 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.34 2bw2 s SER 99 CO 0.09 -0.33 0.39 -0.26 0.41 0.00 0.00 173.24 173.55 2bw2 h PHE 100 N 8.35 -0.09 -3.50 2.43 0.04 -1.95 -3.49 116.94 118.73 2bw2 h PHE 100 Ca -0.16 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.52 2bw2 h PHE 100 Cb 1.15 0.03 -0.06 0.00 2.20 0.00 0.00 35.95 39.27 2bw2 h PHE 100 CO 0.16 -0.06 0.02 0.12 -0.60 0.00 0.00 178.31 177.95 2bw2 s PHE 101 N -1.99 0.39 -0.05 -0.55 5.36 -1.26 -5.00 117.98 114.87 2bw2 s PHE 101 Ca -0.01 -0.82 0.02 0.00 -0.96 0.00 0.00 56.93 55.16 2bw2 s PHE 101 Cb 0.00 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 43.07 2bw2 s PHE 101 CO 0.04 -1.22 -0.09 -1.14 -1.46 0.00 0.00 175.22 171.35 2bw2 s GLN 102 N -3.31 1.33 0.22 10.12 0.74 -1.25 -0.26 119.66 127.24 2bw2 s GLN 102 Ca 0.21 -0.30 0.05 0.00 0.05 0.00 0.00 55.36 55.37 2bw2 s GLN 102 Cb -0.03 -1.16 -0.05 0.00 1.10 0.00 0.00 33.01 32.88 2bw2 s GLN 102 CO 0.12 0.00 -0.06 0.96 -0.55 0.00 0.00 175.29 175.77 2bw2 s ILE 103 N 0.69 1.29 -0.35 -2.34 -4.36 0.65 -4.62 121.20 112.16 2bw2 s ILE 103 Ca -0.13 -2.08 -0.29 0.00 -0.26 0.00 0.00 60.65 57.89 2bw2 s ILE 103 Cb -0.15 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.35 2bw2 s ILE 103 CO 0.02 -0.45 1.31 -1.81 0.24 0.00 0.00 174.94 174.25 2bw2 s ASP 104 N -3.31 6.58 0.26 4.36 1.11 0.16 -2.87 116.67 122.96 2bw2 s ASP 104 Ca 0.25 1.02 0.09 0.00 0.18 0.00 0.00 52.55 54.09 2bw2 s ASP 104 Cb 0.04 -2.54 0.30 0.00 1.07 0.00 0.00 42.92 41.79 2bw2 s ASP 104 CO 0.07 -1.19 1.58 -0.07 1.18 0.00 0.00 175.17 176.74 2bw2 h LEU 105 N 11.25 0.07 -1.20 1.23 3.38 -1.79 -1.78 115.31 126.48 2bw2 h LEU 105 Ca -0.26 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2bw2 h LEU 105 Cb 1.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2bw2 h LEU 105 CO 1.06 0.69 0.00 1.05 0.09 0.00 0.00 178.44 181.33 2bw2 h GLU 106 N 0.04 0.00 0.00 1.13 4.11 -1.89 0.69 114.58 118.67 2bw2 h GLU 106 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2bw2 h GLU 106 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2bw2 h GLU 106 CO 0.09 0.00 -1.06 2.89 0.07 0.00 0.00 179.01 181.00 2bw2 n ARG 107 N -2.56 0.49 -1.71 1.06 1.85 -0.73 -4.92 116.66 110.13 2bw2 n ARG 107 Ca 0.01 0.05 -0.40 0.00 -1.00 0.00 0.00 57.85 56.51 2bw2 n ARG 107 Cb 0.22 -1.72 0.03 0.00 -1.05 0.00 0.00 32.46 29.93 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 -2.39 4.55 -4.57 2.89 4.32 0.23 -4.87 117.00 117.17 2bw2 n LEU 108 Ca 0.00 1.04 -0.32 0.00 -0.02 0.00 0.00 56.01 56.72 2bw2 n LEU 108 Cb 0.51 -1.52 -0.04 0.00 -1.62 0.00 0.00 43.42 40.74 2bw2 n LEU 108 CO 0.40 -0.69 1.50 -1.61 -1.22 0.00 0.00 177.39 175.77 2bw2 s GLU 109 N -2.48 2.94 0.32 3.23 2.02 -1.26 -4.84 118.70 118.63 2bw2 s GLU 109 Ca 0.65 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2bw2 s GLU 109 Cb -0.47 -5.24 0.00 0.00 0.10 0.00 0.00 34.13 28.52 2bw2 s GLU 109 CO 0.54 -3.16 0.00 0.43 0.02 0.00 0.00 175.26 173.09 2bw2 n SER 110 N 12.31 0.00 0.18 -0.19 7.64 -1.26 -1.42 113.62 130.88 2bw2 n SER 110 Ca 0.41 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.42 2bw2 n SER 110 Cb 0.47 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.96 2bw2 n SER 110 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2bw2 h HIS 111 N 0.00 0.00 0.06 1.43 2.07 -1.99 -3.29 115.15 113.43 2bw2 h HIS 111 Ca 0.00 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 2bw2 h HIS 111 Cb 0.00 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.93 2bw2 h HIS 111 CO 0.00 0.00 -0.33 0.52 -3.07 0.00 0.00 177.93 175.05 2bw2 h MET 112 N 0.00 -0.50 -0.44 5.12 2.07 -1.59 0.45 114.93 120.03 2bw2 h MET 112 Ca 0.00 0.03 -0.10 0.00 -2.07 0.00 0.00 59.70 57.56 2bw2 h MET 112 Cb 0.86 0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 30.69 2bw2 h MET 112 CO 0.00 -0.34 -0.14 -0.56 1.07 0.00 0.00 176.91 176.94 2bw2 h GLN 113 N -0.52 0.82 -0.52 1.72 3.07 -1.80 -2.58 115.11 115.31 2bw2 h GLN 113 Ca 0.04 -0.30 -0.04 0.00 0.09 0.00 0.00 58.65 58.45 2bw2 h GLN 113 Cb 0.58 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.06 2bw2 h GLN 113 CO -0.23 0.92 0.17 0.87 0.09 0.00 0.00 178.83 180.64 2bw2 h LYS 114 N 0.73 0.77 -0.24 0.06 1.79 -1.53 0.00 116.57 118.16 2bw2 h LYS 114 Ca 0.12 -0.13 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 2bw2 h LYS 114 Cb 0.65 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2bw2 h LYS 114 CO 0.05 0.67 -0.41 -0.91 -1.08 0.00 0.00 179.45 177.76 2bw2 h ASN 115 N 0.75 0.60 1.16 0.86 2.35 -0.67 -2.34 115.58 118.30 2bw2 h ASN 115 Ca 0.17 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 2bw2 h ASN 115 Cb 0.22 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2bw2 h ASN 115 CO -0.01 0.94 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.44 2bw2 h LEU 116 N 0.47 0.00 -0.62 1.61 3.38 -0.95 0.42 115.31 119.62 2bw2 h LEU 116 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2bw2 h LEU 116 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2bw2 h LEU 116 CO 0.08 0.20 -0.35 -0.07 0.09 0.00 0.00 178.44 178.39 2bw2 h LEU 117 N 0.00 0.73 0.02 1.67 3.38 -0.50 -2.36 115.31 118.25 2bw2 h LEU 117 Ca -0.00 -0.31 -0.26 0.00 0.09 0.00 0.00 57.88 57.40 2bw2 h LEU 117 Cb 0.84 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2bw2 h LEU 117 CO 0.03 1.02 -1.40 0.11 0.09 0.00 0.00 178.44 178.28 2bw2 h LYS 118 N 0.58 0.04 0.00 1.13 1.57 -1.16 -3.39 116.57 115.34 2bw2 h LYS 118 Ca 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2bw2 h LYS 118 Cb 0.87 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2bw2 h LYS 118 CO 0.08 0.80 0.00 0.41 -0.57 0.00 0.00 179.45 180.17 2bw2 n GLY 119 N 1.50 1.43 3.69 3.86 0.00 0.15 -4.03 105.19 111.79 2bw2 n GLY 119 Ca -0.10 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.90 4.81 -1.84 -0.61 -1.09 -1.25 -4.79 121.20 114.53 2bw2 s ILE 120 Ca 0.00 2.04 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 2bw2 s ILE 120 Cb 0.00 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2bw2 s ILE 120 CO 0.00 0.05 0.66 -0.81 -1.23 0.00 0.00 174.94 173.61 2bw2 n PRO 121 N 4.71 0.71 -3.63 2.79 -0.04 -1.26 -2.52 135.00 135.76 2bw2 n PRO 121 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2bw2 n PRO 121 Cb 0.49 -1.06 -0.07 0.00 -0.04 0.00 0.00 33.50 32.83 2bw2 n PRO 121 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2bw2 s PHE 122 N -1.84 -0.73 0.00 0.54 5.36 -1.25 -4.76 117.98 115.31 2bw2 s PHE 122 Ca 0.00 1.72 -0.08 0.00 -0.96 0.00 0.00 56.93 57.61 2bw2 s PHE 122 Cb 0.00 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 2bw2 s PHE 122 CO 0.00 -0.35 0.16 0.50 -1.46 0.00 0.00 175.22 174.07 2bw2 s ARG 123 N 0.49 0.53 0.20 10.12 3.52 -1.26 -4.83 118.95 127.72 2bw2 s ARG 123 Ca -0.00 -0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.10 2bw2 s ARG 123 Cb -0.05 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 2bw2 s ARG 123 CO -0.03 -0.13 0.34 0.99 -0.81 0.00 0.00 175.30 175.66 2bw2 s THR 124 N -1.51 0.03 0.09 4.11 2.01 -1.26 -4.35 115.64 114.76 2bw2 s THR 124 Ca -0.14 -1.47 -0.35 0.00 0.31 0.00 0.00 61.69 60.04 2bw2 s THR 124 Cb -0.07 -2.08 -0.16 0.00 0.01 0.00 0.00 72.50 70.20 2bw2 s THR 124 CO 0.01 -0.13 1.56 0.50 -0.69 0.00 0.00 174.62 175.87 2bw2 h LYS 125 N 2.43 -0.85 0.00 4.92 3.11 -1.96 0.16 116.57 124.37 2bw2 h LYS 125 Ca -0.30 0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.56 2bw2 h LYS 125 Cb 1.24 0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.66 2bw2 h LYS 125 CO 0.44 -0.57 -0.17 0.00 -2.81 0.00 0.00 179.45 176.34 2bw2 h ALA 126 N -0.72 1.04 0.06 5.00 0.00 -1.99 -2.40 119.26 120.26 2bw2 h ALA 126 Ca -0.03 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 2bw2 h ALA 126 Cb 0.82 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2bw2 h ALA 126 CO -0.18 0.21 -1.26 0.93 0.00 0.00 0.00 179.25 178.95 2bw2 h GLU 127 N 0.00 0.13 0.18 0.00 4.39 -1.85 -1.77 114.58 115.65 2bw2 h GLU 127 Ca -0.00 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2bw2 h GLU 127 Cb 0.66 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2bw2 h GLU 127 CO 0.02 1.04 -0.09 0.35 -1.16 0.00 0.00 179.01 179.17 2bw2 h PHE 128 N 0.04 -0.22 0.00 4.33 3.57 -0.19 -0.56 116.94 123.90 2bw2 h PHE 128 Ca -0.12 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2bw2 h PHE 128 Cb 1.91 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.72 2bw2 h PHE 128 CO 0.03 0.15 -0.09 1.05 -2.23 0.00 0.00 178.31 177.23 2bw2 h GLU 129 N -0.67 0.00 0.04 1.11 4.11 -1.58 0.17 114.58 117.76 2bw2 h GLU 129 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2bw2 h GLU 129 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2bw2 h GLU 129 CO 0.04 0.09 -0.02 0.22 0.07 0.00 0.00 179.01 179.41 2bw2 h ASP 130 N 0.00 -0.04 -0.23 3.06 3.58 -1.08 0.89 116.42 122.59 2bw2 h ASP 130 Ca -0.00 -0.49 -0.13 0.00 0.42 0.00 0.00 57.03 56.82 2bw2 h ASP 130 Cb 0.26 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 2bw2 h ASP 130 CO 0.01 0.49 -0.32 1.62 -2.88 0.00 0.00 179.24 178.16 2bw2 h VAL 131 N -0.59 1.28 -0.48 2.25 3.04 -0.75 -2.54 116.25 118.46 2bw2 h VAL 131 Ca -0.01 -1.46 -0.10 0.00 -1.01 0.00 0.00 66.70 64.12 2bw2 h VAL 131 Cb 0.54 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 2bw2 h VAL 131 CO 0.01 0.48 -0.11 0.40 -1.01 0.00 0.00 177.57 177.34 2bw2 h ILE 132 N 0.63 1.26 0.00 3.17 5.03 -0.69 -1.04 117.51 125.87 2bw2 h ILE 132 Ca 0.07 -1.21 -0.04 0.00 -0.12 0.00 0.00 64.86 63.56 2bw2 h ILE 132 Cb 0.85 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 35.64 2bw2 h ILE 132 CO 0.07 0.42 -0.21 1.05 -0.68 0.00 0.00 178.15 178.80 2bw2 h GLU 133 N 0.78 0.00 0.00 2.37 4.11 -0.72 -1.58 114.58 119.54 2bw2 h GLU 133 Ca 0.13 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.41 2bw2 h GLU 133 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2bw2 h GLU 133 CO 0.04 0.21 -0.72 1.25 0.07 0.00 0.00 179.01 179.86 2bw2 h HIS 134 N 0.00 0.00 -0.10 2.06 2.76 -0.94 -1.05 115.15 117.88 2bw2 h HIS 134 Ca -0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2bw2 h HIS 134 Cb 0.67 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 2bw2 h HIS 134 CO 0.00 0.72 -0.07 0.52 -1.30 0.00 0.00 177.93 177.80 2bw2 h MET 135 N 0.00 0.23 0.00 5.26 2.86 -0.51 -3.07 114.93 119.70 2bw2 h MET 135 Ca -0.01 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2bw2 h MET 135 Cb 1.48 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.14 2bw2 h MET 135 CO 0.09 0.62 0.00 1.57 1.06 0.00 0.00 176.91 180.25 2bw2 h LYS 136 N -0.15 0.00 0.00 1.72 2.10 -1.28 -0.35 116.57 118.60 2bw2 h LYS 136 Ca 0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2bw2 h LYS 136 Cb 0.56 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.89 2bw2 h LYS 136 CO 0.02 0.00 -0.04 1.15 -2.00 0.00 0.00 179.45 178.58 2bw2 h THR 137 N 0.00 0.46 0.00 0.07 2.02 -1.08 -2.94 112.91 111.43 2bw2 h THR 137 Ca 0.00 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 2bw2 h THR 137 Cb 0.54 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2bw2 h THR 137 CO 0.00 0.04 -0.67 1.88 0.37 0.00 0.00 175.52 177.14 2bw2 h TYR 138 N 0.00 0.00 -2.48 3.16 0.05 -1.13 -3.48 116.97 113.09 2bw2 h TYR 138 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.62 2bw2 h TYR 138 Cb 0.14 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 2bw2 h TYR 138 CO 0.00 0.53 -0.16 -1.13 -1.05 0.00 0.00 178.16 176.35 2bw2 n SER 139 N -4.57 -2.28 0.00 3.88 3.41 -0.97 -5.01 113.62 108.08 2bw2 n SER 139 Ca -0.15 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2bw2 n SER 139 Cb 0.38 -2.22 0.00 0.00 -0.26 0.00 0.00 64.21 62.12 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49