#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 0.70 0.43 0.00 2.56 -1.26 -5.10 118.70 116.04 2bw2 s GLU 2 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.97 54.66 2bw2 s GLU 2 Cb 0.00 0.31 -0.03 0.00 2.00 0.00 0.00 34.13 36.41 2bw2 s GLU 2 CO 0.00 -0.20 0.70 0.14 -0.56 0.00 0.00 175.26 175.34 2bw2 s VAL 3 N -1.66 4.95 -0.63 3.70 -7.23 -1.26 -5.02 120.40 113.25 2bw2 s VAL 3 Ca -0.11 -0.06 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 2bw2 s VAL 3 Cb -0.04 -3.85 0.12 0.00 0.56 0.00 0.00 36.38 33.17 2bw2 s VAL 3 CO 0.02 -0.73 0.71 -1.61 -0.31 0.00 0.00 175.10 173.18 2bw2 s GLU 4 N -4.59 3.12 0.40 4.82 2.02 -1.26 -5.01 118.70 118.20 2bw2 s GLU 4 Ca 0.45 -1.50 0.08 0.00 0.02 0.00 0.00 54.97 54.01 2bw2 s GLU 4 Cb -0.10 -4.33 -0.06 0.00 0.10 0.00 0.00 34.13 29.75 2bw2 s GLU 4 CO 0.42 -1.51 0.13 -3.38 0.02 0.00 0.00 175.26 170.93 2bw2 s HIS 5 N 2.33 2.59 -0.86 1.61 -3.43 -1.26 -5.02 115.29 111.25 2bw2 s HIS 5 Ca 0.12 -0.57 0.24 0.00 -0.80 0.00 0.00 55.06 54.06 2bw2 s HIS 5 Cb -0.23 -1.85 0.38 0.00 -1.43 0.00 0.00 32.58 29.46 2bw2 s HIS 5 CO 0.03 0.27 1.32 0.66 -2.00 0.00 0.00 174.74 175.03 2bw2 n TYR 6 N -1.15 0.17 -1.49 0.38 4.02 -1.26 -4.89 117.16 112.93 2bw2 n TYR 6 Ca -0.02 0.05 -0.32 0.00 -0.01 0.00 0.00 57.90 57.60 2bw2 n TYR 6 Cb 0.64 -0.36 0.07 0.00 -0.02 0.00 0.00 39.34 39.67 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 2.56 1.19 -0.72 0.41 -1.26 -5.04 118.70 112.78 2bw2 s GLU 7 Ca 0.09 1.22 -0.19 0.00 -0.41 0.00 0.00 54.97 55.68 2bw2 s GLU 7 Cb 0.16 -1.93 0.28 0.00 -1.78 0.00 0.00 34.13 30.86 2bw2 s GLU 7 CO 0.72 -1.42 1.10 -1.25 -0.49 0.00 0.00 175.26 173.93 2bw2 s PRO 8 N -4.61 -1.14 -0.21 0.39 0.04 -1.26 -4.85 135.00 123.36 2bw2 s PRO 8 Ca 0.63 -0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.67 2bw2 s PRO 8 Cb -0.18 -1.60 0.03 0.00 0.04 0.00 0.00 34.50 32.79 2bw2 s PRO 8 CO 0.50 -3.67 -0.16 -1.17 0.04 0.00 0.00 177.00 172.55 2bw2 s LEU 9 N -6.93 2.59 -0.51 -3.56 1.98 0.14 -4.82 118.68 107.57 2bw2 s LEU 9 Ca 0.70 -0.84 -0.28 0.00 -2.89 0.00 0.00 54.13 50.82 2bw2 s LEU 9 Cb -0.11 -1.53 0.00 0.00 0.66 0.00 0.00 46.19 45.22 2bw2 s LEU 9 CO 0.56 -0.06 1.56 -1.10 -1.89 0.00 0.00 176.35 175.42 2bw2 s GLN 10 N 1.26 3.23 -0.21 1.98 -0.21 -1.26 -0.65 119.66 123.79 2bw2 s GLN 10 Ca 0.01 0.71 -0.05 0.00 0.02 0.00 0.00 55.36 56.05 2bw2 s GLN 10 Cb -0.15 -4.17 -0.02 0.00 1.00 0.00 0.00 33.01 29.67 2bw2 s GLN 10 CO -0.10 -2.01 -0.00 0.08 -2.12 0.00 0.00 175.29 171.14 2bw2 s VAL 11 N 6.64 3.86 -0.44 1.09 1.01 0.80 -4.46 120.40 128.89 2bw2 s VAL 11 Ca 0.61 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2bw2 s VAL 11 Cb -0.13 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.53 2bw2 s VAL 11 CO 0.27 0.41 0.39 -1.00 0.00 0.00 0.00 175.10 175.17 2bw2 s HIS 12 N 1.22 3.21 -0.18 5.22 3.76 0.87 -0.31 115.29 129.08 2bw2 s HIS 12 Ca 0.03 -0.65 -0.12 0.00 -0.15 0.00 0.00 55.06 54.18 2bw2 s HIS 12 Cb -0.15 -2.94 -0.05 0.00 1.11 0.00 0.00 32.58 30.56 2bw2 s HIS 12 CO 0.01 -0.73 0.20 0.14 -0.85 0.00 0.00 174.74 173.52 2bw2 s VAL 13 N 1.86 5.36 -0.37 -0.90 -7.23 0.77 -1.09 120.40 118.80 2bw2 s VAL 13 Ca 0.07 0.35 -0.14 0.00 -1.81 0.00 0.00 61.98 60.46 2bw2 s VAL 13 Cb -0.20 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.20 2bw2 s VAL 13 CO 0.10 0.43 0.27 -1.58 -0.31 0.00 0.00 175.10 174.00 2bw2 s GLN 14 N 0.34 3.22 -0.28 4.82 0.74 -0.04 -0.84 119.66 127.62 2bw2 s GLN 14 Ca 0.12 -0.84 -0.11 0.00 0.05 0.00 0.00 55.36 54.59 2bw2 s GLN 14 Cb -0.12 -3.88 -0.05 0.00 1.10 0.00 0.00 33.01 30.06 2bw2 s GLN 14 CO 0.01 -0.60 0.18 -0.51 -0.55 0.00 0.00 175.29 173.83 2bw2 s LEU 15 N 1.69 4.01 -0.09 3.68 1.43 0.55 -1.00 118.68 128.95 2bw2 s LEU 15 Ca 0.05 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2bw2 s LEU 15 Cb -0.18 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 2bw2 s LEU 15 CO 0.10 -0.04 0.25 -1.61 0.23 0.00 0.00 176.35 175.28 2bw2 s GLU 16 N 1.72 3.72 -0.30 1.70 2.02 0.52 -0.40 118.70 127.68 2bw2 s GLU 16 Ca 0.07 0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.17 2bw2 s GLU 16 Cb -0.16 -3.24 0.08 0.00 0.10 0.00 0.00 34.13 30.92 2bw2 s GLU 16 CO 0.10 0.67 -0.01 0.15 0.02 0.00 0.00 175.26 176.19 2bw2 s LYS 17 N -0.82 1.74 -0.76 1.61 1.02 -0.07 -0.08 119.74 122.38 2bw2 s LYS 17 Ca 0.18 -1.59 -0.20 0.00 0.02 0.00 0.00 55.97 54.38 2bw2 s LYS 17 Cb -0.14 -3.00 0.11 0.00 -0.52 0.00 0.00 37.83 34.28 2bw2 s LYS 17 CO 0.07 -0.78 0.97 0.08 -0.92 0.00 0.00 175.35 174.77 2bw2 s VAL 18 N 1.04 4.62 0.02 3.17 1.01 -1.05 -1.98 120.40 127.23 2bw2 s VAL 18 Ca 0.02 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 2bw2 s VAL 18 Cb -0.19 -4.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.46 2bw2 s VAL 18 CO -0.08 -1.40 0.72 -0.31 0.00 0.00 0.00 175.10 174.03 2bw2 s TYR 19 N 3.14 3.71 -0.26 5.22 2.02 -1.02 -4.55 117.35 125.60 2bw2 s TYR 19 Ca 0.24 1.38 0.22 0.00 -0.37 0.00 0.00 57.07 58.54 2bw2 s TYR 19 Cb -0.13 -2.77 1.13 0.00 -0.40 0.00 0.00 41.96 39.79 2bw2 s TYR 19 CO 0.01 0.27 1.67 1.47 -1.57 0.00 0.00 175.55 177.40 2bw2 n LEU 20 N 2.89 0.58 0.00 -1.29 -0.00 -1.24 -1.03 117.00 116.91 2bw2 n LEU 20 Ca -0.03 0.74 0.14 0.00 -0.00 0.00 0.00 56.01 56.85 2bw2 n LEU 20 Cb 0.51 -0.78 0.62 0.00 -0.00 0.00 0.00 43.42 43.76 2bw2 n LEU 20 CO 0.46 -0.88 0.95 -0.90 -0.00 0.00 0.00 177.39 177.03 2bw2 n ASP 21 N -2.25 0.00 0.00 1.45 5.75 -1.26 -4.88 116.55 115.36 2bw2 n ASP 21 Ca -0.01 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 2bw2 n ASP 21 Cb 0.07 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 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 1.33 1.71 3.68 6.12 0.00 -0.20 -4.67 105.19 113.16 2bw2 n GLY 22 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.86 6.68 -0.25 1.61 2.15 -1.24 -4.32 116.67 119.43 2bw2 s ASP 23 Ca 0.00 0.82 -0.02 0.00 0.43 0.00 0.00 52.55 53.78 2bw2 s ASP 23 Cb 0.00 -2.33 0.02 0.00 -0.30 0.00 0.00 42.92 40.32 2bw2 s ASP 23 CO 0.00 -0.18 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.08 2bw2 s VAL 24 N 1.48 2.98 -0.24 1.11 1.01 -1.26 -2.44 120.40 123.05 2bw2 s VAL 24 Ca 0.28 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2bw2 s VAL 24 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2bw2 s VAL 24 CO 0.11 0.20 1.11 -0.55 0.00 0.00 0.00 175.10 175.98 2bw2 s SER 25 N 1.35 7.00 -0.32 3.32 0.15 -0.84 -4.77 113.70 119.60 2bw2 s SER 25 Ca 0.01 1.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.91 2bw2 s SER 25 Cb -0.16 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2bw2 s SER 25 CO -0.04 -0.76 0.22 -0.63 1.20 0.00 0.00 173.24 173.23 2bw2 s ILE 26 N 3.43 5.29 0.10 6.45 -1.09 -1.26 -0.89 121.20 133.24 2bw2 s ILE 26 Ca 0.47 -0.07 0.07 0.00 -2.23 0.00 0.00 60.65 58.89 2bw2 s ILE 26 Cb -0.16 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2bw2 s ILE 26 CO 0.11 0.09 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.09 2bw2 s GLU 27 N 1.74 2.08 -0.12 2.79 2.56 0.46 -4.95 118.70 123.26 2bw2 s GLU 27 Ca 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 54.97 53.99 2bw2 s GLU 27 Cb -0.17 -2.28 0.02 0.00 2.00 0.00 0.00 34.13 33.71 2bw2 s GLU 27 CO 0.11 0.51 -0.10 -1.01 -0.56 0.00 0.00 175.26 174.20 2bw2 s HIS 28 N -1.19 1.71 0.15 5.30 3.76 -1.26 -0.33 115.29 123.42 2bw2 s HIS 28 Ca 0.21 -0.88 0.09 0.00 -0.15 0.00 0.00 55.06 54.32 2bw2 s HIS 28 Cb -0.11 -1.34 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 2bw2 s HIS 28 CO 0.13 -0.55 -0.20 0.15 -0.85 0.00 0.00 174.74 173.42 2bw2 s LYS 29 N 1.56 1.25 -0.19 1.40 1.02 -0.02 -4.98 119.74 119.79 2bw2 s LYS 29 Ca 0.04 -1.35 0.01 0.00 0.02 0.00 0.00 55.97 54.69 2bw2 s LYS 29 Cb -0.13 -1.40 0.04 0.00 -0.52 0.00 0.00 37.83 35.82 2bw2 s LYS 29 CO -0.08 0.30 -0.12 -3.38 -0.92 0.00 0.00 175.35 171.14 2bw2 s HIS 30 N -1.75 2.52 -0.02 3.18 -3.43 -1.26 -0.17 115.29 114.37 2bw2 s HIS 30 Ca 0.13 -1.62 0.04 0.00 -0.80 0.00 0.00 55.06 52.81 2bw2 s HIS 30 Cb -0.07 -1.70 -0.01 0.00 -1.43 0.00 0.00 32.58 29.37 2bw2 s HIS 30 CO 0.06 -0.76 -0.13 -1.83 -2.00 0.00 0.00 174.74 170.08 2bw2 s GLU 31 N 1.36 1.13 -0.38 -0.38 -1.05 0.57 -4.93 118.70 115.02 2bw2 s GLU 31 Ca -0.00 -0.47 -0.15 0.00 -0.15 0.00 0.00 54.97 54.20 2bw2 s GLU 31 Cb -0.16 -1.08 0.00 0.00 -0.44 0.00 0.00 34.13 32.46 2bw2 s GLU 31 CO -0.09 0.26 0.32 0.15 0.95 0.00 0.00 175.26 176.86 2bw2 s LYS 32 N -0.22 3.26 -0.07 -4.83 1.02 -1.25 -0.14 119.74 117.51 2bw2 s LYS 32 Ca 0.03 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2bw2 s LYS 32 Cb -0.06 -3.89 -0.01 0.00 -0.52 0.00 0.00 37.83 33.34 2bw2 s LYS 32 CO -0.00 -0.64 -0.21 0.54 -0.92 0.00 0.00 175.35 174.12 2bw2 s VAL 33 N 1.85 2.39 0.02 3.17 0.11 0.18 -4.68 120.40 123.44 2bw2 s VAL 33 Ca 0.08 -0.94 -0.18 0.00 -2.93 0.00 0.00 61.98 58.01 2bw2 s VAL 33 Cb -0.18 -1.91 -0.27 0.00 -1.53 0.00 0.00 36.38 32.50 2bw2 s VAL 33 CO 0.11 0.57 1.07 -0.26 -3.33 0.00 0.00 175.10 173.26 2bw2 h PHE 34 N 6.11 0.78 -3.41 1.54 -1.00 -1.89 0.39 116.94 119.47 2bw2 h PHE 34 Ca -0.32 -0.47 -0.67 0.00 2.81 0.00 0.00 57.97 59.32 2bw2 h PHE 34 Cb 1.18 -0.07 -0.34 0.00 3.61 0.00 0.00 35.95 40.34 2bw2 h PHE 34 CO 0.45 1.32 -0.80 0.45 -1.61 0.00 0.00 178.31 178.13 2bw2 s SER 35 N -7.08 3.92 0.53 2.17 0.15 -1.26 -4.80 113.70 107.34 2bw2 s SER 35 Ca -0.12 -0.86 0.21 0.00 0.70 0.00 0.00 55.95 55.88 2bw2 s SER 35 Cb 0.04 -1.58 1.37 0.00 -1.71 0.00 0.00 66.02 64.14 2bw2 s SER 35 CO 0.87 -0.09 2.11 0.24 1.20 0.00 0.00 173.24 177.57 2bw2 h MET 36 N 7.95 0.00 -0.46 5.44 2.86 -2.00 0.10 114.93 128.81 2bw2 h MET 36 Ca -0.35 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.22 2bw2 h MET 36 Cb 1.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 2bw2 h MET 36 CO 0.58 0.00 0.01 0.22 1.06 0.00 0.00 176.91 178.77 2bw2 h ASP 37 N 0.00 0.73 -0.55 1.22 3.58 -1.98 0.14 116.42 119.56 2bw2 h ASP 37 Ca 0.08 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 2bw2 h ASP 37 Cb 0.35 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2bw2 h ASP 37 CO -0.00 0.79 0.10 -0.78 -2.88 0.00 0.00 179.24 176.48 2bw2 h ASP 38 N 0.71 0.86 -0.50 2.28 3.58 -1.40 0.54 116.42 122.50 2bw2 h ASP 38 Ca 0.14 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.30 2bw2 h ASP 38 Cb 0.43 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2bw2 h ASP 38 CO 0.02 0.89 0.17 0.15 -2.88 0.00 0.00 179.24 177.59 2bw2 h PHE 39 N 0.80 0.79 -0.40 0.28 3.04 -1.00 0.15 116.94 120.60 2bw2 h PHE 39 Ca 0.17 -0.07 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 2bw2 h PHE 39 Cb 0.39 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 2bw2 h PHE 39 CO 0.03 0.68 -0.19 -1.49 -2.02 0.00 0.00 178.31 175.32 2bw2 h TRP 40 N 0.67 0.87 -0.14 0.41 -0.00 -0.37 0.55 115.95 117.95 2bw2 h TRP 40 Ca 0.16 -0.19 -0.14 0.00 -0.00 0.00 0.00 58.89 58.72 2bw2 h TRP 40 Cb 0.25 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.18 2bw2 h TRP 40 CO 0.01 0.90 -0.53 0.00 -0.00 0.00 0.00 178.44 178.83 2bw2 h ALA 41 N 1.10 0.84 -0.31 1.49 0.00 -0.66 0.23 119.26 121.95 2bw2 h ALA 41 Ca 0.10 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2bw2 h ALA 41 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2bw2 h ALA 41 CO 0.05 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.95 2bw2 h ALA 42 N 1.13 0.42 -0.46 0.00 0.00 -0.23 -3.18 119.26 116.94 2bw2 h ALA 42 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2bw2 h ALA 42 Cb 1.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2bw2 h ALA 42 CO 0.09 0.21 0.05 0.66 0.00 0.00 0.00 179.25 180.26 2bw2 n TYR 43 N -4.51 1.60 -0.33 0.00 4.01 0.14 -4.62 117.16 113.44 2bw2 n TYR 43 Ca -0.03 -0.95 0.16 0.00 -0.16 0.00 0.00 57.90 56.92 2bw2 n TYR 43 Cb 0.29 -0.46 0.36 0.00 -0.31 0.00 0.00 39.34 39.22 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 2.56 1.69 0.00 -0.72 0.00 -0.52 -1.07 119.26 121.20 2bw2 h ALA 44 Ca 0.07 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 2bw2 h ALA 44 Cb 1.80 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2bw2 h ALA 44 CO 0.42 -0.28 -0.61 0.78 0.00 0.00 0.00 179.25 179.57 2bw2 h GLY 45 N 0.54 0.00 -2.62 0.00 0.00 -1.86 -3.44 103.07 95.69 2bw2 h GLY 45 Ca 0.62 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.43 2bw2 h GLY 45 CO -0.48 0.00 0.51 -0.98 0.00 0.00 0.00 176.54 175.59 2bw2 s TRP 46 N -3.30 2.65 -0.31 5.60 0.52 -0.41 -4.96 118.94 118.73 2bw2 s TRP 46 Ca 0.01 1.49 -0.24 0.00 0.02 0.00 0.00 56.10 57.37 2bw2 s TRP 46 Cb 0.11 -3.50 0.00 0.00 -1.15 0.00 0.00 33.47 28.93 2bw2 s TRP 46 CO 0.75 -1.96 0.83 0.99 0.02 0.00 0.00 176.95 177.57 2bw2 s THR 47 N -1.50 4.75 -0.31 2.01 2.01 0.85 -4.86 115.64 118.59 2bw2 s THR 47 Ca 0.68 1.24 -0.29 0.00 0.31 0.00 0.00 61.69 63.63 2bw2 s THR 47 Cb -0.32 -4.19 -0.00 0.00 0.01 0.00 0.00 72.50 68.00 2bw2 s THR 47 CO 0.37 -0.30 1.34 -0.22 -0.69 0.00 0.00 174.62 175.13 2bw2 s LEU 48 N 3.07 3.85 -0.20 4.42 1.98 -1.26 -1.00 118.68 129.54 2bw2 s LEU 48 Ca 0.34 1.20 -0.11 0.00 -2.89 0.00 0.00 54.13 52.67 2bw2 s LEU 48 Cb -0.14 -3.54 -0.20 0.00 0.66 0.00 0.00 46.19 42.97 2bw2 s LEU 48 CO 0.13 -1.14 0.08 0.52 -1.89 0.00 0.00 176.35 174.06 2bw2 n VAL 49 N 6.33 1.61 -3.44 1.68 0.31 0.03 -5.00 118.33 119.86 2bw2 n VAL 49 Ca 0.15 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.95 2bw2 n VAL 49 Cb 0.47 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.49 1.21 -0.12 5.55 -1.05 -1.03 -5.01 118.70 115.76 2bw2 s GLU 50 Ca -0.30 -0.38 -0.10 0.00 -0.15 0.00 0.00 54.97 54.04 2bw2 s GLU 50 Cb 0.08 0.56 0.03 0.00 -0.44 0.00 0.00 34.13 34.37 2bw2 s GLU 50 CO 0.64 -0.52 0.32 1.14 0.95 0.00 0.00 175.26 177.79 2bw2 s GLN 51 N -3.44 0.35 -0.35 -4.83 -2.07 -1.26 -0.18 119.66 107.87 2bw2 s GLN 51 Ca 0.00 0.48 0.02 0.00 -1.82 0.00 0.00 55.36 54.04 2bw2 s GLN 51 Cb -0.01 0.13 0.15 0.00 -1.09 0.00 0.00 33.01 32.19 2bw2 s GLN 51 CO -0.10 -0.07 0.35 -1.59 -1.32 0.00 0.00 175.29 172.56 2bw2 s LYS 52 N 0.38 0.57 0.00 9.60 -2.85 0.69 -5.00 119.74 123.13 2bw2 s LYS 52 Ca -0.02 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2bw2 s LYS 52 Cb -0.04 -0.76 0.00 0.00 -2.06 0.00 0.00 37.83 34.98 2bw2 s LYS 52 CO -0.02 -1.17 0.00 1.63 0.10 0.00 0.00 175.35 175.90 2bw2 n LYS 53 N 4.43 0.00 0.15 1.78 4.76 -1.26 -0.48 118.16 127.54 2bw2 n LYS 53 Ca 0.09 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.66 2bw2 n LYS 53 Cb 0.45 0.00 0.44 0.00 -1.84 0.00 0.00 35.03 34.08 2bw2 n LYS 53 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2bw2 h GLY 54 N 0.00 0.00 -6.04 0.72 0.00 -1.96 -3.43 103.07 92.35 2bw2 h GLY 54 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2bw2 h GLY 54 CO 0.00 0.00 -0.78 -0.47 0.00 0.00 0.00 176.54 175.29 2bw2 s TYR 55 N -3.27 0.93 -0.03 5.60 5.04 0.37 -0.09 117.35 125.89 2bw2 s TYR 55 Ca 0.07 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 54.45 2bw2 s TYR 55 Cb 0.10 -0.75 -0.00 0.00 0.35 0.00 0.00 41.96 41.66 2bw2 s TYR 55 CO 0.53 -0.20 -0.14 0.08 -1.34 0.00 0.00 175.55 174.48 2bw2 s VAL 56 N 0.75 1.21 -0.24 3.14 1.01 -0.25 -0.23 120.40 125.80 2bw2 s VAL 56 Ca -0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2bw2 s VAL 56 Cb -0.14 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2bw2 s VAL 56 CO 0.01 0.35 -0.02 -0.22 0.00 0.00 0.00 175.10 175.23 2bw2 s LEU 57 N 0.02 3.10 0.25 3.92 2.96 0.74 -0.86 118.68 128.81 2bw2 s LEU 57 Ca -0.02 -0.46 0.11 0.00 -0.22 0.00 0.00 54.13 53.54 2bw2 s LEU 57 Cb -0.10 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2bw2 s LEU 57 CO 0.01 -0.05 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.43 2bw2 s PHE 58 N 1.48 2.18 0.02 5.38 0.08 -0.18 -0.79 117.98 126.16 2bw2 s PHE 58 Ca 0.05 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.75 2bw2 s PHE 58 Cb -0.15 -0.97 -0.01 0.00 -0.57 0.00 0.00 43.02 41.31 2bw2 s PHE 58 CO -0.02 0.62 -0.09 -0.98 -0.10 0.00 0.00 175.22 174.65 2bw2 s ARG 59 N -3.41 0.65 -0.03 0.44 1.70 -0.17 -0.35 118.95 117.78 2bw2 s ARG 59 Ca 0.27 -0.51 -0.01 0.00 -0.47 0.00 0.00 55.73 55.01 2bw2 s ARG 59 Cb -0.05 -0.58 0.03 0.00 -0.57 0.00 0.00 34.95 33.79 2bw2 s ARG 59 CO 0.13 0.14 0.05 0.21 -1.08 0.00 0.00 175.30 174.76 2bw2 s LYS 60 N -0.79 -0.02 -0.28 3.89 2.47 0.89 -0.10 119.74 125.80 2bw2 s LYS 60 Ca -0.01 0.23 0.03 0.00 -1.56 0.00 0.00 55.97 54.66 2bw2 s LYS 60 Cb -0.06 -0.24 0.07 0.00 -1.46 0.00 0.00 37.83 36.14 2bw2 s LYS 60 CO 0.00 -0.17 -0.05 1.14 0.16 0.00 0.00 175.35 176.43 2bw2 s GLN 61 N 1.12 1.87 0.37 4.03 -2.07 -1.26 -2.51 119.66 121.21 2bw2 s GLN 61 Ca -0.09 -1.42 0.05 0.00 -1.82 0.00 0.00 55.36 52.09 2bw2 s GLN 61 Cb -0.13 -2.89 -0.02 0.00 -1.09 0.00 0.00 33.01 28.89 2bw2 s GLN 61 CO -0.04 -0.69 0.18 0.00 -1.32 0.00 0.00 175.29 173.43 2bw2 n MET 62 N 4.44 0.53 0.00 9.60 0.00 -1.26 -4.95 117.12 125.48 2bw2 n MET 62 Ca -0.08 -3.28 0.00 0.00 0.00 0.00 0.00 57.70 54.34 2bw2 n MET 62 Cb 0.42 2.06 0.00 0.00 0.00 0.00 0.00 33.22 35.71 2bw2 n MET 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2bw2 n ASP 63 N -1.61 0.00 0.00 3.17 2.03 -1.26 -4.66 116.55 114.22 2bw2 n ASP 63 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2bw2 n ASP 63 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2bw2 n ASP 63 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2bw2 n ASP 64 N 2.67 0.00 -4.80 1.67 5.68 -1.26 -5.15 116.55 115.36 2bw2 n ASP 64 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.07 2bw2 n ASP 64 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 2bw2 n ASP 64 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2bw2 s ILE 65 N 1.12 2.72 0.40 2.12 -4.36 -1.26 -3.66 121.20 118.28 2bw2 s ILE 65 Ca 0.00 -1.53 -0.27 0.00 -0.26 0.00 0.00 60.65 58.60 2bw2 s ILE 65 Cb 0.00 -3.01 -0.09 0.00 1.25 0.00 0.00 42.46 40.61 2bw2 s ILE 65 CO 0.00 -0.06 1.33 -0.55 0.24 0.00 0.00 174.94 175.91 2bw2 s SER 66 N -3.99 6.33 0.33 4.36 0.15 -1.26 -4.92 113.70 114.71 2bw2 s SER 66 Ca 0.43 2.73 0.05 0.00 0.70 0.00 0.00 55.95 59.85 2bw2 s SER 66 Cb -0.01 -2.64 0.57 0.00 -1.71 0.00 0.00 66.02 62.22 2bw2 s SER 66 CO 0.25 -0.84 1.83 1.55 1.20 0.00 0.00 173.24 177.23 2bw2 h PRO 67 N 2.77 0.46 -0.07 5.44 0.13 -1.99 -1.94 132.00 136.80 2bw2 h PRO 67 Ca -0.50 -0.12 -0.09 0.00 -0.87 0.00 0.00 66.00 64.42 2bw2 h PRO 67 Cb 1.24 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2bw2 h PRO 67 CO 0.63 0.57 -0.38 1.25 -0.23 0.00 0.00 178.00 179.84 2bw2 h LEU 68 N 0.43 0.16 -1.82 1.56 7.12 -2.00 -2.09 115.31 118.67 2bw2 h LEU 68 Ca 0.08 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 2bw2 h LEU 68 Cb 0.45 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 2bw2 h LEU 68 CO 0.02 0.53 -0.11 0.28 -0.13 0.00 0.00 178.44 179.03 2bw2 h SER 69 N 0.13 0.00 1.79 1.25 0.02 -1.72 0.10 113.55 115.11 2bw2 h SER 69 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2bw2 h SER 69 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2bw2 h SER 69 CO 0.06 0.11 -0.03 0.11 -1.14 0.00 0.00 176.83 175.94 2bw2 h LYS 70 N 0.00 0.00 0.00 3.45 1.57 -1.28 0.32 116.57 120.63 2bw2 h LYS 70 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2bw2 h LYS 70 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2bw2 h LYS 70 CO 0.01 0.00 -1.71 1.33 -0.57 0.00 0.00 179.45 178.52 2bw2 n VAL 71 N -2.80 1.13 0.00 0.50 0.24 -0.18 -4.62 118.33 112.60 2bw2 n VAL 71 Ca 0.04 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 2bw2 n VAL 71 Cb 0.50 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 -2.80 0.00 0.00 -1.34 5.15 0.17 -4.98 115.26 111.46 2bw2 n ASN 72 Ca -0.14 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 2bw2 n ASN 72 Cb 0.89 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 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 1.99 2.92 3.59 8.20 0.00 0.11 -4.63 105.19 117.37 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 -1.76 2.59 -0.15 1.61 1.51 -1.06 -3.96 117.35 116.13 2bw2 s TYR 74 Ca 0.00 0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 56.58 2bw2 s TYR 74 Cb 0.00 -4.44 -0.04 0.00 -0.11 0.00 0.00 41.96 37.38 2bw2 s TYR 74 CO 0.00 -1.62 0.04 0.42 -1.11 0.00 0.00 175.55 173.28 2bw2 s ILE 75 N 5.06 4.59 0.25 2.71 1.01 -1.26 -2.19 121.20 131.36 2bw2 s ILE 75 Ca 0.50 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.04 2bw2 s ILE 75 Cb -0.09 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 2bw2 s ILE 75 CO 0.29 0.51 0.15 -0.83 0.00 0.00 0.00 174.94 175.05 2bw2 s GLY 76 N 0.00 1.73 0.07 6.18 0.00 -0.60 -2.32 107.32 112.39 2bw2 s GLY 76 Ca 0.05 -1.79 0.06 0.00 0.00 0.00 0.00 44.72 43.04 2bw2 s GLY 76 CO 0.01 -1.49 -0.16 -1.34 0.00 0.00 0.00 173.10 170.13 2bw2 s VAL 77 N -3.88 1.26 0.59 1.40 -7.23 -0.58 -1.61 120.40 110.35 2bw2 s VAL 77 Ca 0.38 -1.31 -0.06 0.00 -1.81 0.00 0.00 61.98 59.18 2bw2 s VAL 77 Cb 0.06 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.84 2bw2 s VAL 77 CO 0.15 -0.15 0.90 -0.44 -0.31 0.00 0.00 175.10 175.25 2bw2 s SER 78 N -1.68 5.53 0.67 4.85 0.01 -0.92 -4.68 113.70 117.47 2bw2 s SER 78 Ca 0.01 0.66 0.35 0.00 1.31 0.00 0.00 55.95 58.27 2bw2 s SER 78 Cb -0.10 -1.63 1.89 0.00 0.21 0.00 0.00 66.02 66.39 2bw2 s SER 78 CO 0.03 -1.09 2.07 0.44 0.41 0.00 0.00 173.24 175.09 2bw2 h ASP 79 N -0.18 0.00 -0.56 2.44 3.32 -1.95 0.36 116.42 119.84 2bw2 h ASP 79 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2bw2 h ASP 79 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2bw2 h ASP 79 CO 0.60 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.71 2bw2 n ASN 80 N -2.95 3.40 -0.22 6.45 3.02 -1.26 -4.75 115.26 118.95 2bw2 n ASN 80 Ca -0.02 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 2bw2 n ASN 80 Cb 0.28 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.27 0.90 3.65 7.41 0.00 0.12 -3.70 105.19 114.84 2bw2 n GLY 81 Ca 0.20 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.45 4.74 -0.01 1.61 1.01 -1.05 -0.17 120.40 124.08 2bw2 s VAL 82 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.75 2bw2 s VAL 82 Cb 0.00 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.15 2bw2 s VAL 82 CO 0.00 -0.16 1.64 -0.38 0.00 0.00 0.00 175.10 176.19 2bw2 n ILE 83 N 5.35 1.65 -3.53 2.22 2.08 0.65 -2.16 119.36 125.61 2bw2 n ILE 83 Ca 0.09 -0.34 -0.38 0.00 0.56 0.00 0.00 62.75 62.68 2bw2 n ILE 83 Cb 0.47 -1.31 -0.06 0.00 -0.75 0.00 0.00 39.64 37.99 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 1.60 6.78 0.17 4.38 0.01 -0.63 -4.23 113.70 121.77 2bw2 s SER 84 Ca 0.01 0.92 -0.17 0.00 1.31 0.00 0.00 55.95 58.03 2bw2 s SER 84 Cb 0.01 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 2bw2 s SER 84 CO 0.00 0.33 0.62 0.42 0.41 0.00 0.00 173.24 175.02 2bw2 s THR 85 N -1.09 4.74 0.24 1.44 -4.23 -1.26 -1.56 115.64 113.92 2bw2 s THR 85 Ca 0.23 1.03 0.07 0.00 -1.18 0.00 0.00 61.69 61.84 2bw2 s THR 85 Cb -0.16 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 2bw2 s THR 85 CO 0.13 0.25 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.99 2bw2 s PHE 86 N -1.47 1.83 -0.54 3.99 0.40 -0.93 -1.50 117.98 119.77 2bw2 s PHE 86 Ca 0.39 -0.62 -0.18 0.00 -0.60 0.00 0.00 56.93 55.92 2bw2 s PHE 86 Cb -0.16 -0.94 0.09 0.00 0.51 0.00 0.00 43.02 42.52 2bw2 s PHE 86 CO 0.20 0.33 0.59 -3.38 0.70 0.00 0.00 175.22 173.66 2bw2 s HIS 87 N -2.98 3.10 0.00 0.36 -3.43 -1.26 -4.39 115.29 106.69 2bw2 s HIS 87 Ca 0.26 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 2bw2 s HIS 87 Cb 0.01 -3.68 0.00 0.00 -1.43 0.00 0.00 32.58 27.48 2bw2 s HIS 87 CO 0.09 -1.08 0.00 0.41 -2.00 0.00 0.00 174.74 172.16 2bw2 n GLY 88 N 5.23 -1.71 3.67 -1.38 0.00 -1.26 -4.87 105.19 104.86 2bw2 n GLY 88 Ca -0.10 -1.57 -0.56 0.00 0.00 0.00 0.00 46.02 43.79 2bw2 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bw2 n ARG 89 N 0.00 1.18 -2.62 1.61 5.12 -1.26 -4.86 116.66 115.82 2bw2 n ARG 89 Ca 0.00 0.42 -0.42 0.00 -1.93 0.00 0.00 57.85 55.92 2bw2 n ARG 89 Cb 0.00 -2.17 -0.02 0.00 -1.16 0.00 0.00 32.46 29.11 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 4.00 3.70 0.23 5.56 0.04 -1.26 -4.57 135.00 142.70 2bw2 s PRO 90 Ca 1.00 -1.45 -0.01 0.00 0.04 0.00 0.00 61.00 60.59 2bw2 s PRO 90 Cb -1.04 -5.34 -0.03 0.00 0.04 0.00 0.00 34.50 28.13 2bw2 s PRO 90 CO 0.63 -2.15 0.19 -1.83 0.04 0.00 0.00 177.00 173.88 2bw2 s GLU 91 N 4.40 1.33 0.45 4.56 -1.05 -1.26 -4.72 118.70 122.42 2bw2 s GLU 91 Ca 0.46 -1.67 0.31 0.00 -0.15 0.00 0.00 54.97 53.92 2bw2 s GLU 91 Cb 0.00 0.30 1.53 0.00 -0.44 0.00 0.00 34.13 35.52 2bw2 s GLU 91 CO -0.06 -0.46 1.94 -1.00 0.95 0.00 0.00 175.26 176.63 2bw2 h PRO 92 N 2.50 0.00 0.00 -4.83 0.13 -1.97 0.12 132.00 127.95 2bw2 h PRO 92 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2bw2 h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bw2 h PRO 92 CO 0.49 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 2bw2 h ALA 93 N 2.06 1.00 -6.02 -0.56 0.00 -1.96 -3.45 119.26 110.33 2bw2 h ALA 93 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2bw2 h ALA 93 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2bw2 h ALA 93 CO 0.00 0.00 -0.20 0.43 0.00 0.00 0.00 179.25 179.48 2bw2 n SER 94 N -2.50 2.50 -4.24 0.00 7.64 0.40 -5.13 113.62 112.30 2bw2 n SER 94 Ca 0.03 -2.72 -0.32 0.00 1.01 0.00 0.00 58.87 56.87 2bw2 n SER 94 Cb 0.34 -0.16 -0.17 0.00 -1.01 0.00 0.00 64.21 63.22 2bw2 n SER 94 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2bw2 s GLU 95 N -4.30 2.78 0.26 1.43 2.02 -1.26 -4.83 118.70 114.79 2bw2 s GLU 95 Ca 0.39 -0.88 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 2bw2 s GLU 95 Cb -0.03 -2.21 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 2bw2 s GLU 95 CO 0.25 0.27 1.22 -2.14 0.02 0.00 0.00 175.26 174.88 2bw2 s PRO 96 N 0.11 4.48 0.09 0.39 0.02 -1.26 -4.26 135.00 134.56 2bw2 s PRO 96 Ca -0.12 1.99 -0.06 0.00 0.02 0.00 0.00 61.00 62.83 2bw2 s PRO 96 Cb -0.16 -3.17 -0.23 0.00 0.02 0.00 0.00 34.50 30.97 2bw2 s PRO 96 CO 0.06 -0.06 1.18 0.82 -0.33 0.00 0.00 177.00 178.68 2bw2 h ILE 97 N 3.35 1.43 -2.16 2.83 2.04 -1.61 -3.48 117.51 119.91 2bw2 h ILE 97 Ca -0.46 -2.79 -0.01 0.00 1.00 0.00 0.00 64.86 62.59 2bw2 h ILE 97 Cb 1.22 2.77 -0.00 0.00 -0.74 0.00 0.00 36.82 40.06 2bw2 h ILE 97 CO 0.70 0.82 0.03 0.00 0.00 0.00 0.00 178.15 179.70 2bw2 n GLN 98 N -3.64 0.15 -3.80 2.37 0.00 -1.26 -4.92 117.38 106.28 2bw2 n GLN 98 Ca -0.09 -0.33 -0.13 0.00 0.00 0.00 0.00 57.00 56.46 2bw2 n GLN 98 Cb 0.97 0.39 -0.13 0.00 0.00 0.00 0.00 30.24 31.46 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 -1.29 -0.11 0.00 2.61 0.01 -1.26 -4.43 113.70 109.22 2bw2 s SER 99 Ca 0.03 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2bw2 s SER 99 Cb -0.01 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2bw2 s SER 99 CO 0.02 -0.08 0.00 0.49 0.41 0.00 0.00 173.24 174.08 2bw2 n PHE 100 N 3.42 0.00 -4.14 2.43 3.72 -1.26 -4.99 117.46 116.64 2bw2 n PHE 100 Ca -0.17 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.11 2bw2 n PHE 100 Cb 0.57 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.03 2bw2 n PHE 100 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2bw2 s PHE 101 N -0.42 1.00 -0.11 1.38 5.36 -1.26 -4.97 117.98 118.96 2bw2 s PHE 101 Ca 0.00 -1.22 0.01 0.00 -0.96 0.00 0.00 56.93 54.75 2bw2 s PHE 101 Cb 0.00 -0.33 0.02 0.00 -0.34 0.00 0.00 43.02 42.37 2bw2 s PHE 101 CO 0.00 -0.80 -0.12 -1.14 -1.46 0.00 0.00 175.22 171.69 2bw2 s GLN 102 N -3.95 1.93 0.25 10.12 0.74 -1.25 -0.26 119.66 127.24 2bw2 s GLN 102 Ca 0.34 -0.44 0.09 0.00 0.05 0.00 0.00 55.36 55.40 2bw2 s GLN 102 Cb 0.04 -1.75 -0.05 0.00 1.10 0.00 0.00 33.01 32.35 2bw2 s GLN 102 CO 0.13 -0.14 -0.14 0.96 -0.55 0.00 0.00 175.29 175.55 2bw2 s ILE 103 N 1.22 1.98 -0.48 -2.34 -4.36 0.76 -4.48 121.20 113.51 2bw2 s ILE 103 Ca -0.03 -2.26 -0.28 0.00 -0.26 0.00 0.00 60.65 57.82 2bw2 s ILE 103 Cb -0.14 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.35 2bw2 s ILE 103 CO -0.04 -0.46 1.47 -1.81 0.24 0.00 0.00 174.94 174.34 2bw2 s ASP 104 N -3.42 6.15 0.38 4.36 1.01 0.14 -2.96 116.67 122.34 2bw2 s ASP 104 Ca 0.27 0.60 0.09 0.00 0.71 0.00 0.00 52.55 54.22 2bw2 s ASP 104 Cb -0.01 -2.54 0.77 0.00 1.01 0.00 0.00 42.92 42.15 2bw2 s ASP 104 CO 0.11 -1.63 1.91 -0.07 0.21 0.00 0.00 175.17 175.70 2bw2 h LEU 105 N 12.96 0.25 -1.42 1.23 3.38 -1.85 -0.06 115.31 129.80 2bw2 h LEU 105 Ca -0.28 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2bw2 h LEU 105 Cb 1.11 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2bw2 h LEU 105 CO 1.13 0.40 0.00 1.05 0.09 0.00 0.00 178.44 181.11 2bw2 h GLU 106 N 0.25 0.00 0.00 1.13 4.11 -1.92 -1.19 114.58 116.97 2bw2 h GLU 106 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2bw2 h GLU 106 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2bw2 h GLU 106 CO 0.02 0.00 -1.13 2.89 0.07 0.00 0.00 179.01 180.86 2bw2 n ARG 107 N -2.64 0.47 -0.75 1.06 1.85 -0.06 -4.90 116.66 111.69 2bw2 n ARG 107 Ca 0.00 0.02 -0.29 0.00 -1.00 0.00 0.00 57.85 56.58 2bw2 n ARG 107 Cb 0.19 -1.68 0.21 0.00 -1.05 0.00 0.00 32.46 30.13 2bw2 n ARG 107 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2bw2 s LEU 108 N -4.59 1.57 -0.09 2.89 1.02 -0.45 -4.93 118.68 114.10 2bw2 s LEU 108 Ca 0.01 1.62 0.05 0.00 0.02 0.00 0.00 54.13 55.83 2bw2 s LEU 108 Cb 0.12 -3.75 0.32 0.00 0.02 0.00 0.00 46.19 42.91 2bw2 s LEU 108 CO 0.81 -3.61 0.99 -1.84 0.02 0.00 0.00 176.35 172.71 2bw2 n GLU 109 N -4.53 2.53 0.00 1.70 -0.00 -1.26 -4.95 120.64 114.12 2bw2 n GLU 109 Ca 0.06 -1.23 0.00 0.00 -0.00 0.00 0.00 57.16 55.99 2bw2 n GLU 109 Cb 0.54 -1.80 0.00 0.00 -0.00 0.00 0.00 31.44 30.18 2bw2 n GLU 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2bw2 n SER 110 N 0.24 0.00 -0.17 -1.84 2.88 -1.26 -4.68 113.62 108.80 2bw2 n SER 110 Ca 0.11 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.75 2bw2 n SER 110 Cb 0.62 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.50 2bw2 n SER 110 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2bw2 h HIS 111 N 0.00 0.65 -0.23 0.66 3.86 -1.98 0.11 115.15 118.22 2bw2 h HIS 111 Ca 0.00 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 2bw2 h HIS 111 Cb 0.00 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.22 2bw2 h HIS 111 CO 0.00 0.30 -0.05 0.52 0.86 0.00 0.00 177.93 179.56 2bw2 h MET 112 N 0.61 0.01 0.00 2.45 2.86 -1.97 -0.10 114.93 118.78 2bw2 h MET 112 Ca 0.33 -0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.79 2bw2 h MET 112 Cb 0.49 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2bw2 h MET 112 CO -0.12 0.00 -0.90 -0.56 1.06 0.00 0.00 176.91 176.40 2bw2 h GLN 113 N 0.01 0.00 -0.58 1.72 -0.00 -1.42 -2.41 115.11 112.42 2bw2 h GLN 113 Ca 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.80 2bw2 h GLN 113 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.61 2bw2 h GLN 113 CO -0.23 0.90 0.39 0.87 -0.00 0.00 0.00 178.83 180.76 2bw2 h LYS 114 N 0.00 0.63 -0.40 0.06 1.79 -0.61 -0.13 116.57 117.90 2bw2 h LYS 114 Ca -0.01 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.30 2bw2 h LYS 114 Cb 1.68 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 32.18 2bw2 h LYS 114 CO 0.12 0.41 -0.24 -0.91 -1.08 0.00 0.00 179.45 177.75 2bw2 h ASN 115 N 0.64 0.83 0.66 0.86 2.35 -0.55 -1.91 115.58 118.47 2bw2 h ASN 115 Ca 0.24 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2bw2 h ASN 115 Cb 0.15 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 2bw2 h ASN 115 CO -0.07 1.03 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.51 2bw2 h LEU 116 N 0.70 0.00 0.02 1.61 3.38 -0.86 0.50 115.31 120.66 2bw2 h LEU 116 Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 2bw2 h LEU 116 Cb 0.77 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.54 2bw2 h LEU 116 CO 0.06 0.16 -1.07 -0.07 0.09 0.00 0.00 178.44 177.61 2bw2 h LEU 117 N 0.00 0.92 0.04 1.67 3.38 -0.48 -1.56 115.31 119.28 2bw2 h LEU 117 Ca -0.00 -0.75 -0.23 0.00 0.09 0.00 0.00 57.88 56.99 2bw2 h LEU 117 Cb 0.54 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.03 2bw2 h LEU 117 CO 0.02 1.55 -0.92 0.11 0.09 0.00 0.00 178.44 179.29 2bw2 h LYS 118 N 0.38 0.55 0.00 1.13 1.57 -0.90 -3.36 116.57 115.94 2bw2 h LYS 118 Ca -0.14 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 2bw2 h LYS 118 Cb 1.73 0.20 0.00 0.00 0.08 0.00 0.00 32.23 34.23 2bw2 h LYS 118 CO 0.21 1.26 0.00 0.41 -0.57 0.00 0.00 179.45 180.76 2bw2 n GLY 119 N 1.20 2.63 3.68 3.86 0.00 0.17 -4.28 105.19 112.45 2bw2 n GLY 119 Ca -0.12 -1.12 -0.45 0.00 0.00 0.00 0.00 46.02 44.33 2bw2 n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bw2 n ILE 120 N 1.12 0.12 1.42 -0.61 2.08 -0.98 -4.80 119.36 117.72 2bw2 n ILE 120 Ca 0.00 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2bw2 n ILE 120 Cb 0.00 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 37.19 2bw2 n ILE 120 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2bw2 n PRO 121 N 4.19 0.82 -3.60 0.38 -0.04 -1.26 -2.57 135.00 132.92 2bw2 n PRO 121 Ca 0.18 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.50 2bw2 n PRO 121 Cb 0.30 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 2bw2 n PRO 121 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2bw2 s PHE 122 N -1.74 -0.68 -0.15 0.54 -0.71 -1.25 -4.86 117.98 109.12 2bw2 s PHE 122 Ca 0.00 1.52 -0.07 0.00 -1.04 0.00 0.00 56.93 57.34 2bw2 s PHE 122 Cb 0.00 0.33 0.06 0.00 -1.21 0.00 0.00 43.02 42.20 2bw2 s PHE 122 CO 0.00 -0.42 0.35 0.50 -1.34 0.00 0.00 175.22 174.30 2bw2 s ARG 123 N -0.17 0.31 0.21 1.99 3.52 -1.26 -4.71 118.95 118.84 2bw2 s ARG 123 Ca -0.03 0.71 -0.02 0.00 -0.13 0.00 0.00 55.73 56.26 2bw2 s ARG 123 Cb -0.03 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.28 2bw2 s ARG 123 CO 0.03 -0.17 0.19 0.99 -0.81 0.00 0.00 175.30 175.52 2bw2 s THR 124 N 1.48 0.00 0.15 4.11 2.01 -1.26 -4.29 115.64 117.84 2bw2 s THR 124 Ca -0.08 -1.91 -0.16 0.00 0.31 0.00 0.00 61.69 59.84 2bw2 s THR 124 Cb -0.09 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.97 2bw2 s THR 124 CO -0.11 0.00 1.77 0.07 -0.69 0.00 0.00 174.62 175.66 2bw2 h LYS 125 N 2.55 0.35 0.01 4.92 2.10 -1.97 0.86 116.57 125.39 2bw2 h LYS 125 Ca -0.34 -0.02 -0.23 0.00 -2.00 0.00 0.00 60.65 58.05 2bw2 h LYS 125 Cb 1.25 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 2bw2 h LYS 125 CO 0.50 0.23 -1.18 0.00 -2.00 0.00 0.00 179.45 176.99 2bw2 h ALA 126 N 1.20 0.41 -0.05 0.07 0.00 -1.99 -3.03 119.26 115.88 2bw2 h ALA 126 Ca 0.16 -1.03 -0.17 0.00 0.00 0.00 0.00 54.91 53.87 2bw2 h ALA 126 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bw2 h ALA 126 CO -0.12 1.29 -0.72 0.93 0.00 0.00 0.00 179.25 180.63 2bw2 h GLU 127 N 0.01 0.27 0.31 0.00 5.08 -1.89 -0.42 114.58 117.94 2bw2 h GLU 127 Ca -0.08 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2bw2 h GLU 127 Cb 1.84 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2bw2 h GLU 127 CO 0.13 0.88 -0.15 0.35 -1.00 0.00 0.00 179.01 179.22 2bw2 h PHE 128 N 0.18 -0.39 0.00 4.33 3.57 -0.83 -0.32 116.94 123.49 2bw2 h PHE 128 Ca -0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2bw2 h PHE 128 Cb 1.28 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 2bw2 h PHE 128 CO 0.03 -0.14 -0.04 1.05 -2.23 0.00 0.00 178.31 176.98 2bw2 h GLU 129 N -0.59 0.00 -0.07 1.11 4.11 -1.48 0.20 114.58 117.87 2bw2 h GLU 129 Ca -0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.32 2bw2 h GLU 129 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2bw2 h GLU 129 CO 0.07 0.04 -0.24 0.22 0.07 0.00 0.00 179.01 179.17 2bw2 h ASP 130 N 0.00 0.33 -0.00 3.06 3.58 -0.78 0.90 116.42 123.50 2bw2 h ASP 130 Ca -0.00 -0.62 -0.16 0.00 0.42 0.00 0.00 57.03 56.66 2bw2 h ASP 130 Cb 0.52 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2bw2 h ASP 130 CO 0.01 0.89 -0.56 1.62 -2.88 0.00 0.00 179.24 178.32 2bw2 h VAL 131 N -0.22 1.32 -0.28 2.25 3.04 -0.69 -3.02 116.25 118.65 2bw2 h VAL 131 Ca -0.01 -1.80 -0.10 0.00 -1.01 0.00 0.00 66.70 63.77 2bw2 h VAL 131 Cb 0.87 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 2bw2 h VAL 131 CO 0.05 0.56 -0.26 0.40 -1.01 0.00 0.00 177.57 177.31 2bw2 h ILE 132 N 0.45 1.27 0.00 3.17 5.03 -0.63 -1.89 117.51 124.91 2bw2 h ILE 132 Ca 0.01 -1.32 -0.06 0.00 -0.12 0.00 0.00 64.86 63.37 2bw2 h ILE 132 Cb 1.11 1.35 -0.01 0.00 -3.03 0.00 0.00 36.82 36.24 2bw2 h ILE 132 CO 0.11 0.42 -0.27 1.05 -0.68 0.00 0.00 178.15 178.78 2bw2 h GLU 133 N 0.48 0.00 -0.12 2.37 4.11 -0.76 -0.37 114.58 120.29 2bw2 h GLU 133 Ca 0.07 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.31 2bw2 h GLU 133 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2bw2 h GLU 133 CO 0.05 0.27 -0.68 1.25 0.07 0.00 0.00 179.01 179.97 2bw2 h HIS 134 N 0.00 0.67 -0.21 2.06 2.76 -1.30 -1.34 115.15 117.79 2bw2 h HIS 134 Ca -0.00 -0.28 -0.03 0.00 -2.20 0.00 0.00 60.37 57.86 2bw2 h HIS 134 Cb 0.62 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2bw2 h HIS 134 CO 0.00 1.04 0.02 0.52 -1.30 0.00 0.00 177.93 178.20 2bw2 h MET 135 N 0.36 0.35 0.00 5.26 2.86 -0.50 -2.69 114.93 120.57 2bw2 h MET 135 Ca -0.02 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2bw2 h MET 135 Cb 1.26 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2bw2 h MET 135 CO 0.12 0.52 0.00 1.57 1.06 0.00 0.00 176.91 180.19 2bw2 h LYS 136 N 0.13 0.00 0.00 1.72 2.10 -1.10 -0.71 116.57 118.72 2bw2 h LYS 136 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2bw2 h LYS 136 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2bw2 h LYS 136 CO 0.01 0.00 0.00 1.15 -2.00 0.00 0.00 179.45 178.61 2bw2 h THR 137 N 0.00 0.00 0.00 0.07 2.02 -0.89 -3.08 112.91 111.03 2bw2 h THR 137 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2bw2 h THR 137 Cb 0.58 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2bw2 h THR 137 CO 0.00 0.00 -0.42 -1.22 0.37 0.00 0.00 175.52 174.25 2bw2 n TYR 138 N -2.36 0.38 -2.35 3.16 4.01 -0.33 -4.97 117.16 114.70 2bw2 n TYR 138 Ca 0.01 0.16 -0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2bw2 n TYR 138 Cb 0.21 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 38.76 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 -3.72 -2.65 0.00 7.72 3.41 -0.85 -5.01 113.62 112.52 2bw2 n SER 139 Ca -0.06 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2bw2 n SER 139 Cb 0.22 -2.35 0.00 0.00 -0.26 0.00 0.00 64.21 61.82 2bw2 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49