#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bz4 s ILE 2 N 0.00 1.31 -0.23 0.53 1.01 -1.26 -4.99 121.20 117.57 3bz4 s ILE 2 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 3bz4 s ILE 2 Cb 0.00 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 3bz4 s ILE 2 CO 0.00 0.38 0.15 -0.69 0.00 0.00 0.00 174.94 174.78 3bz4 s VAL 3 N 0.08 5.37 -0.23 2.92 1.01 -1.26 -4.80 120.40 123.49 3bz4 s VAL 3 Ca -0.04 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 3bz4 s VAL 3 Cb -0.11 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3bz4 s VAL 3 CO 0.02 0.37 0.08 -0.04 0.00 0.00 0.00 175.10 175.54 3bz4 s MET 4 N 0.85 3.83 -0.20 2.72 1.00 -1.26 -1.41 119.30 124.82 3bz4 s MET 4 Ca 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 55.69 55.34 3bz4 s MET 4 Cb -0.13 -3.33 -0.00 0.00 0.00 0.00 0.00 34.83 31.37 3bz4 s MET 4 CO 0.03 0.00 -0.09 0.99 0.00 0.00 0.00 175.02 175.94 3bz4 s THR 5 N 1.13 2.96 0.03 2.05 2.01 0.57 -4.21 115.64 120.18 3bz4 s THR 5 Ca 0.05 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 3bz4 s THR 5 Cb -0.14 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 3bz4 s THR 5 CO 0.04 0.46 -0.02 0.00 -0.69 0.00 0.00 174.62 174.41 3bz4 s GLN 6 N 1.37 0.43 0.29 4.92 -2.07 -1.26 -1.41 119.66 121.93 3bz4 s GLN 6 Ca 0.05 -0.83 -0.29 0.00 -1.82 0.00 0.00 55.36 52.46 3bz4 s GLN 6 Cb -0.14 0.15 -0.10 0.00 -1.09 0.00 0.00 33.01 31.83 3bz4 s GLN 6 CO -0.06 -0.08 1.33 0.00 -1.32 0.00 0.00 175.29 175.16 3bz4 s ALA 7 N -2.40 3.53 0.38 2.60 0.00 -1.26 -4.65 121.76 119.96 3bz4 s ALA 7 Ca -0.07 1.24 0.06 0.00 0.00 0.00 0.00 51.96 53.18 3bz4 s ALA 7 Cb -0.03 -3.49 0.76 0.00 0.00 0.00 0.00 23.12 20.36 3bz4 s ALA 7 CO -0.04 -0.63 2.01 0.00 0.00 0.00 0.00 175.76 177.10 3bz4 h ALA 8 N 4.04 1.60 -2.21 0.00 0.00 -1.95 -3.32 119.26 117.43 3bz4 h ALA 8 Ca -0.48 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.01 3bz4 h ALA 8 Cb 1.22 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 3bz4 h ALA 8 CO 0.70 0.33 -0.70 -0.06 0.00 0.00 0.00 179.25 179.53 3bz4 s PHE 9 N -5.41 1.42 0.21 0.00 0.08 -1.26 -1.07 117.98 111.93 3bz4 s PHE 9 Ca -0.08 -0.79 0.05 0.00 0.12 0.00 0.00 56.93 56.23 3bz4 s PHE 9 Cb 0.17 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.82 3bz4 s PHE 9 CO 0.74 0.07 -0.07 -1.54 -0.10 0.00 0.00 175.22 174.33 3bz4 s SER 10 N -3.23 2.11 0.27 1.36 1.04 -1.21 -4.86 113.70 109.19 3bz4 s SER 10 Ca 0.21 -1.11 -0.31 0.00 0.48 0.00 0.00 55.95 55.23 3bz4 s SER 10 Cb 0.03 -0.05 -0.12 0.00 0.10 0.00 0.00 66.02 65.98 3bz4 s SER 10 CO 0.04 -0.36 1.64 0.59 0.98 0.00 0.00 173.24 176.13 3bz4 n ASN 11 N -0.36 3.94 -4.66 7.02 4.13 -1.26 -4.68 115.26 119.38 3bz4 n ASN 11 Ca -0.07 1.12 -0.44 0.00 1.68 0.00 0.00 54.58 56.87 3bz4 n ASN 11 Cb 0.62 -1.59 -0.02 0.00 -1.54 0.00 0.00 39.78 37.25 3bz4 n ASN 11 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3bz4 n PRO 12 N 2.66 1.89 -4.87 3.52 -0.02 -1.26 -4.74 135.00 132.19 3bz4 n PRO 12 Ca 0.11 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 3bz4 n PRO 12 Cb 0.36 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 3bz4 n PRO 12 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bz4 s VAL 13 N -0.58 2.90 0.34 -1.45 1.01 -0.10 -4.64 120.40 117.88 3bz4 s VAL 13 Ca 0.63 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 3bz4 s VAL 13 Cb -0.64 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.46 3bz4 s VAL 13 CO 0.56 0.54 1.22 -0.89 0.00 0.00 0.00 175.10 176.53 3bz4 s THR 14 N 0.11 3.01 0.27 3.92 2.01 -1.26 -0.54 115.64 123.16 3bz4 s THR 14 Ca -0.07 0.96 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 3bz4 s THR 14 Cb -0.15 -3.59 -0.13 0.00 0.01 0.00 0.00 72.50 68.64 3bz4 s THR 14 CO 0.05 0.19 1.36 0.18 -0.69 0.00 0.00 174.62 175.70 3bz4 n LEU 15 N 0.65 3.19 0.00 4.42 4.77 -1.25 -2.03 117.00 126.76 3bz4 n LEU 15 Ca 0.01 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 3bz4 n LEU 15 Cb 0.44 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 3bz4 n LEU 15 CO 0.55 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3bz4 n GLY 16 N 1.70 1.05 3.84 -0.72 0.00 -0.19 -4.92 105.19 105.94 3bz4 n GLY 16 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3bz4 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bz4 s THR 17 N -3.04 1.76 0.09 2.61 -4.23 -0.86 -4.54 115.64 107.42 3bz4 s THR 17 Ca 0.00 -1.63 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 3bz4 s THR 17 Cb 0.00 -2.39 -0.06 0.00 1.34 0.00 0.00 72.50 71.39 3bz4 s THR 17 CO 0.00 0.00 0.48 -0.94 -0.54 0.00 0.00 174.62 173.62 3bz4 s SER 18 N -4.11 6.80 0.20 3.99 1.04 -1.13 -1.39 113.70 119.09 3bz4 s SER 18 Ca 0.31 1.00 0.09 0.00 0.48 0.00 0.00 55.95 57.82 3bz4 s SER 18 Cb -0.00 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 3bz4 s SER 18 CO 0.18 0.18 -0.06 0.00 0.98 0.00 0.00 173.24 174.53 3bz4 s ALA 19 N -1.33 3.04 -0.08 5.32 0.00 0.56 -4.95 121.76 124.32 3bz4 s ALA 19 Ca 0.33 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 3bz4 s ALA 19 Cb -0.16 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.21 3bz4 s ALA 19 CO 0.18 0.42 0.08 0.45 0.00 0.00 0.00 175.76 176.90 3bz4 s SER 20 N -3.05 1.33 -0.11 0.00 0.15 -1.26 -1.67 113.70 109.09 3bz4 s SER 20 Ca 0.27 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.91 3bz4 s SER 20 Cb -0.08 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 3bz4 s SER 20 CO 0.17 -0.27 -0.18 -0.63 1.20 0.00 0.00 173.24 173.53 3bz4 s ILE 21 N 2.19 2.63 0.21 6.45 1.01 0.04 -4.97 121.20 128.75 3bz4 s ILE 21 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.94 3bz4 s ILE 21 Cb -0.13 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3bz4 s ILE 21 CO -0.05 0.54 0.14 -0.44 0.00 0.00 0.00 174.94 175.13 3bz4 s SER 22 N 0.30 5.39 0.05 3.58 0.01 -1.26 -0.17 113.70 121.60 3bz4 s SER 22 Ca -0.13 -0.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.71 3bz4 s SER 22 Cb -0.17 -1.35 0.03 0.00 0.21 0.00 0.00 66.02 64.75 3bz4 s SER 22 CO 0.07 0.02 0.40 0.00 0.41 0.00 0.00 173.24 174.14 3bz4 s ARG 24 N -2.62 0.66 0.21 0.00 1.70 -0.50 -1.21 118.95 117.19 3bz4 s ARG 24 Ca -0.04 -0.92 0.12 0.00 -0.47 0.00 0.00 55.73 54.41 3bz4 s ARG 24 Cb -0.01 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 3bz4 s ARG 24 CO -0.03 -0.17 -0.23 -1.54 -1.08 0.00 0.00 175.30 172.25 3bz4 s SER 25 N -2.51 3.46 0.00 -2.89 1.04 -0.28 -0.32 113.70 112.20 3bz4 s SER 25 Ca 0.01 -0.91 0.28 0.00 0.48 0.00 0.00 55.95 55.81 3bz4 s SER 25 Cb 0.03 -0.26 1.34 0.00 0.10 0.00 0.00 66.02 67.23 3bz4 s SER 25 CO -0.08 0.10 1.95 -1.54 0.98 0.00 0.00 173.24 174.65 3bz4 n SER 26 N 0.05 0.00 -3.76 7.02 3.41 -0.50 -4.80 113.62 115.03 3bz4 n SER 26 Ca -0.11 0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.50 3bz4 n SER 26 Cb 0.57 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 3bz4 n SER 26 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3bz4 s LYS 27 N -2.74 0.58 0.40 4.33 2.20 -1.26 -4.96 119.74 118.29 3bz4 s LYS 27 Ca 0.22 -0.00 -0.07 0.00 -0.36 0.00 0.00 55.97 55.76 3bz4 s LYS 27 Cb 0.19 0.26 0.10 0.00 -1.51 0.00 0.00 37.83 36.87 3bz4 s LYS 27 CO 0.46 -0.14 0.24 0.45 -0.36 0.00 0.00 175.35 176.00 3bz4 n SER 27 N 1.76 -2.60 -2.12 1.43 2.88 -1.26 -4.72 113.62 108.98 3bz4 n SER 27 Ca -0.19 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 3bz4 n SER 27 Cb 0.56 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 3bz4 n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3bz4 n LEU 27 N 0.00 -4.05 -4.90 2.46 7.94 -1.26 -5.00 117.00 112.19 3bz4 n LEU 27 Ca 0.04 2.27 -0.28 0.00 -1.11 0.00 0.00 56.01 56.93 3bz4 n LEU 27 Cb 0.16 -2.60 0.01 0.00 0.53 0.00 0.00 43.42 41.53 3bz4 n LEU 27 CO 0.11 -2.07 0.54 -2.28 -1.11 0.00 0.00 177.39 172.58 3bz4 s HIS 27 N -0.36 3.50 0.60 1.96 5.65 -0.13 -4.97 115.29 121.54 3bz4 s HIS 27 Ca 0.00 0.90 0.31 0.00 0.25 0.00 0.00 55.06 56.52 3bz4 s HIS 27 Cb 0.00 -2.53 1.86 0.00 -1.18 0.00 0.00 32.58 30.73 3bz4 s HIS 27 CO 0.00 -0.53 2.24 0.66 -0.65 0.00 0.00 174.74 176.46 3bz4 h SER 27 N -0.03 0.00 0.00 9.88 4.64 -2.02 -1.62 113.55 124.40 3bz4 h SER 27 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3bz4 h SER 27 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3bz4 h SER 27 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 3bz4 n ASP 28 N -3.76 0.00 0.00 4.97 5.68 -1.26 -4.88 116.55 117.30 3bz4 n ASP 28 Ca -0.02 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 3bz4 n ASP 28 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3bz4 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bz4 n GLY 29 N 0.69 0.74 3.80 6.12 0.00 -0.61 -5.05 105.19 110.89 3bz4 n GLY 29 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3bz4 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bz4 s ILE 30 N -2.27 4.95 -0.40 -0.61 1.01 -1.26 -4.83 121.20 117.79 3bz4 s ILE 30 Ca 0.00 1.02 -0.17 0.00 0.00 0.00 0.00 60.65 61.51 3bz4 s ILE 30 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.67 3bz4 s ILE 30 CO 0.00 0.51 0.41 -0.89 0.00 0.00 0.00 174.94 174.97 3bz4 s THR 31 N -0.69 5.12 -1.42 2.92 2.01 -1.26 -0.95 115.64 121.37 3bz4 s THR 31 Ca 0.27 -0.28 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 3bz4 s THR 31 Cb -0.17 -3.97 0.06 0.00 0.01 0.00 0.00 72.50 68.42 3bz4 s THR 31 CO 0.15 -0.33 2.35 -1.22 -0.69 0.00 0.00 174.62 174.88 3bz4 n TYR 32 N 5.51 2.87 -5.07 4.92 4.02 -1.26 -2.64 117.16 125.50 3bz4 n TYR 32 Ca -0.08 -2.92 -0.32 0.00 -0.01 0.00 0.00 57.90 54.57 3bz4 n TYR 32 Cb 0.48 -2.20 -0.15 0.00 -0.02 0.00 0.00 39.34 37.44 3bz4 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3bz4 s LEU 33 N 0.01 2.36 0.05 7.72 1.98 -1.26 -1.45 118.68 128.09 3bz4 s LEU 33 Ca 0.52 -0.40 0.05 0.00 -2.89 0.00 0.00 54.13 51.41 3bz4 s LEU 33 Cb 0.15 -1.47 -0.02 0.00 0.66 0.00 0.00 46.19 45.51 3bz4 s LEU 33 CO -0.06 0.25 -0.14 -0.31 -1.89 0.00 0.00 176.35 174.20 3bz4 s TYR 34 N -0.16 1.22 -0.05 5.38 1.51 0.05 -0.36 117.35 124.93 3bz4 s TYR 34 Ca -0.02 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.71 3bz4 s TYR 34 Cb -0.14 -0.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.99 3bz4 s TYR 34 CO 0.04 0.04 -0.24 -1.58 -1.11 0.00 0.00 175.55 172.70 3bz4 s TRP 35 N -0.98 2.46 0.05 2.71 0.52 -0.34 -1.43 118.94 121.93 3bz4 s TRP 35 Ca 0.00 -0.62 0.08 0.00 0.02 0.00 0.00 56.10 55.59 3bz4 s TRP 35 Cb -0.08 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 3bz4 s TRP 35 CO 0.02 -0.15 -0.24 0.71 0.02 0.00 0.00 176.95 177.31 3bz4 s TYR 36 N -0.28 2.07 -0.09 -1.98 2.02 -0.19 -0.53 117.35 118.37 3bz4 s TYR 36 Ca 0.00 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 3bz4 s TYR 36 Cb -0.13 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3bz4 s TYR 36 CO 0.03 0.12 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.80 3bz4 s LEU 37 N -1.24 2.60 -0.35 -1.29 2.96 -0.03 -0.71 118.68 120.61 3bz4 s LEU 37 Ca 0.10 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3bz4 s LEU 37 Cb -0.09 -1.55 0.09 0.00 0.50 0.00 0.00 46.19 45.14 3bz4 s LEU 37 CO 0.02 0.24 0.08 -1.58 -1.32 0.00 0.00 176.35 173.79 3bz4 s GLN 38 N -0.11 1.83 0.60 1.98 0.74 -0.09 -0.16 119.66 124.45 3bz4 s GLN 38 Ca -0.02 -1.75 -0.16 0.00 0.05 0.00 0.00 55.36 53.48 3bz4 s GLN 38 Cb -0.14 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 3bz4 s GLN 38 CO 0.04 -0.92 1.06 0.15 -0.55 0.00 0.00 175.29 175.07 3bz4 s LYS 39 N 1.04 3.28 0.22 1.67 1.02 -1.26 -1.27 119.74 124.45 3bz4 s LYS 39 Ca 0.07 1.24 -0.32 0.00 0.02 0.00 0.00 55.97 56.97 3bz4 s LYS 39 Cb -0.20 -2.03 -0.13 0.00 -0.52 0.00 0.00 37.83 34.95 3bz4 s LYS 39 CO -0.06 -0.84 1.59 -2.30 -0.92 0.00 0.00 175.35 172.82 3bz4 n PRO 40 N -2.02 2.45 -0.94 -1.68 -0.02 -1.26 -1.46 135.00 130.07 3bz4 n PRO 40 Ca 0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3bz4 n PRO 40 Cb 0.53 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3bz4 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bz4 n GLY 41 N 3.00 0.66 3.72 -1.23 0.00 -1.26 -5.02 105.19 105.05 3bz4 n GLY 41 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3bz4 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bz4 s GLN 42 N -0.26 2.22 0.72 1.61 -0.21 -0.54 -5.14 119.66 118.06 3bz4 s GLN 42 Ca 0.00 -1.79 -0.11 0.00 0.02 0.00 0.00 55.36 53.48 3bz4 s GLN 42 Cb 0.00 -1.99 0.02 0.00 1.00 0.00 0.00 33.01 32.04 3bz4 s GLN 42 CO 0.00 -0.05 1.07 -1.12 -2.12 0.00 0.00 175.29 173.08 3bz4 s SER 43 N -3.86 5.16 0.61 5.90 0.01 -1.26 -4.66 113.70 115.59 3bz4 s SER 43 Ca 0.40 1.48 -0.20 0.00 1.31 0.00 0.00 55.95 58.94 3bz4 s SER 43 Cb 0.02 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 3bz4 s SER 43 CO 0.22 -1.57 1.33 -2.84 0.41 0.00 0.00 173.24 170.79 3bz4 s PRO 44 N -5.10 2.79 0.03 12.44 0.02 -1.26 -4.45 135.00 139.46 3bz4 s PRO 44 Ca 0.59 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.78 3bz4 s PRO 44 Cb -0.14 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 3bz4 s PRO 44 CO 0.55 -1.44 -0.08 -3.38 -0.33 0.00 0.00 177.00 172.32 3bz4 s HIS 45 N -1.35 0.65 0.10 6.54 -3.43 0.77 -4.95 115.29 113.63 3bz4 s HIS 45 Ca 0.78 -0.35 -0.31 0.00 -0.80 0.00 0.00 55.06 54.38 3bz4 s HIS 45 Cb -0.39 -0.40 -0.08 0.00 -1.43 0.00 0.00 32.58 30.28 3bz4 s HIS 45 CO 0.44 -0.05 1.46 -1.17 -2.00 0.00 0.00 174.74 173.42 3bz4 s LEU 46 N -1.05 4.36 -0.19 5.38 2.96 -1.26 -0.85 118.68 128.02 3bz4 s LEU 46 Ca -0.05 2.37 -0.12 0.00 -0.22 0.00 0.00 54.13 56.11 3bz4 s LEU 46 Cb -0.07 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 3bz4 s LEU 46 CO 0.00 -0.73 -0.29 0.18 -1.32 0.00 0.00 176.35 174.19 3bz4 n LEU 47 N 4.43 1.65 -4.03 -0.68 4.77 0.31 -4.73 117.00 118.71 3bz4 n LEU 47 Ca 0.13 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 56.18 3bz4 n LEU 47 Cb 0.42 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 3bz4 n LEU 47 CO 0.60 0.21 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.79 3bz4 s ILE 48 N -2.51 0.87 0.18 -0.08 -1.09 -0.88 -0.53 121.20 117.16 3bz4 s ILE 48 Ca -0.29 -0.43 0.07 0.00 -2.23 0.00 0.00 60.65 57.77 3bz4 s ILE 48 Cb 0.09 -0.76 -0.05 0.00 -1.58 0.00 0.00 42.46 40.17 3bz4 s ILE 48 CO 0.38 0.26 -0.13 -0.72 -1.23 0.00 0.00 174.94 173.50 3bz4 s TYR 49 N 0.04 1.57 -1.53 3.97 1.13 -0.14 -1.19 117.35 121.19 3bz4 s TYR 49 Ca -0.01 -0.63 -0.08 0.00 -1.41 0.00 0.00 57.07 54.94 3bz4 s TYR 49 Cb -0.08 -0.75 0.06 0.00 -1.10 0.00 0.00 41.96 40.10 3bz4 s TYR 49 CO 0.00 0.27 0.58 0.72 -2.51 0.00 0.00 175.55 174.61 3bz4 n HIS 50 N -0.29 -1.72 0.00 -3.49 8.25 -1.04 -1.57 115.22 115.35 3bz4 n HIS 50 Ca -0.09 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.15 3bz4 n HIS 50 Cb 0.60 -3.45 0.00 0.00 1.12 0.00 0.00 29.99 28.27 3bz4 n HIS 50 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3bz4 n LEU 51 N -4.42 0.00 0.00 2.41 7.94 0.51 -4.15 117.00 119.30 3bz4 n LEU 51 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3bz4 n LEU 51 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3bz4 n LEU 51 CO 0.79 0.00 0.06 -1.20 -1.11 0.00 0.00 177.39 175.93 3bz4 n SER 52 N 1.87 0.23 -4.72 1.96 7.64 -1.19 -4.09 113.62 115.31 3bz4 n SER 52 Ca 0.00 -1.00 -0.36 0.00 1.01 0.00 0.00 58.87 58.51 3bz4 n SER 52 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 3bz4 n SER 52 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3bz4 s ASN 53 N -0.00 6.44 0.20 6.43 0.01 -0.61 -4.67 114.94 122.74 3bz4 s ASN 53 Ca 0.00 0.51 -0.29 0.00 -0.71 0.00 0.00 52.86 52.37 3bz4 s ASN 53 Cb 0.00 -2.19 -0.08 0.00 0.41 0.00 0.00 41.25 39.39 3bz4 s ASN 53 CO 0.00 0.08 0.92 -0.76 -1.51 0.00 0.00 177.10 175.83 3bz4 s LEU 54 N 0.54 4.61 0.71 0.60 1.02 -1.26 -0.97 118.68 123.92 3bz4 s LEU 54 Ca 0.17 1.87 -0.12 0.00 0.02 0.00 0.00 54.13 56.06 3bz4 s LEU 54 Cb -0.13 -3.55 0.02 0.00 0.02 0.00 0.00 46.19 42.55 3bz4 s LEU 54 CO 0.04 0.12 1.09 0.00 0.02 0.00 0.00 176.35 177.62 3bz4 s ALA 55 N -0.92 2.43 0.21 4.21 0.00 0.31 -4.89 121.76 123.10 3bz4 s ALA 55 Ca 0.41 0.33 -0.32 0.00 0.00 0.00 0.00 51.96 52.38 3bz4 s ALA 55 Cb -0.25 -3.27 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 3bz4 s ALA 55 CO 0.31 -1.46 1.70 0.45 0.00 0.00 0.00 175.76 176.76 3bz4 s SER 56 N -3.18 6.39 0.00 0.00 0.15 -1.26 -1.80 113.70 114.01 3bz4 s SER 56 Ca 0.62 2.86 0.00 0.00 0.70 0.00 0.00 55.95 60.13 3bz4 s SER 56 Cb -0.17 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3bz4 s SER 56 CO 0.50 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.59 3bz4 n GLY 57 N 3.81 3.11 3.70 9.45 0.00 -1.26 -5.03 105.19 118.97 3bz4 n GLY 57 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3bz4 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bz4 s VAL 58 N -2.05 3.46 0.64 1.61 1.01 -0.74 -4.99 120.40 119.34 3bz4 s VAL 58 Ca 0.00 0.94 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 3bz4 s VAL 58 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3bz4 s VAL 58 CO 0.00 0.03 1.16 -2.65 0.00 0.00 0.00 175.10 173.63 3bz4 n PRO 59 N 4.89 0.97 -0.02 2.72 -0.02 -1.26 -4.87 135.00 137.41 3bz4 n PRO 59 Ca 0.13 0.38 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3bz4 n PRO 59 Cb 0.43 -2.39 0.48 0.00 -0.02 0.00 0.00 33.50 32.00 3bz4 n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3bz4 n ASP 60 N -1.55 0.47 0.23 2.55 5.68 -1.26 -2.19 116.55 120.47 3bz4 n ASP 60 Ca 0.15 -1.52 0.11 0.00 -0.50 0.00 0.00 54.79 53.03 3bz4 n ASP 60 Cb 0.48 -0.03 0.70 0.00 -1.14 0.00 0.00 41.12 41.13 3bz4 n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3bz4 h ARG 61 N 0.63 0.00 -6.28 0.11 3.08 -1.94 -3.42 114.38 106.55 3bz4 h ARG 61 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3bz4 h ARG 61 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3bz4 h ARG 61 CO 0.00 0.00 0.11 -0.06 -1.07 0.00 0.00 179.97 178.95 3bz4 s PHE 62 N -4.97 3.76 0.06 3.04 0.40 -0.93 -1.57 117.98 117.76 3bz4 s PHE 62 Ca -0.05 1.42 -0.16 0.00 -0.60 0.00 0.00 56.93 57.54 3bz4 s PHE 62 Cb 0.17 -2.74 0.03 0.00 0.51 0.00 0.00 43.02 40.99 3bz4 s PHE 62 CO 0.65 0.36 0.36 -1.54 0.70 0.00 0.00 175.22 175.76 3bz4 s SER 63 N -0.37 -0.21 -0.03 1.36 1.04 -0.52 -5.00 113.70 109.98 3bz4 s SER 63 Ca 0.36 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 3bz4 s SER 63 Cb -0.20 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.33 3bz4 s SER 63 CO 0.22 -0.67 0.21 -0.55 0.98 0.00 0.00 173.24 173.43 3bz4 s SER 64 N -2.16 -0.11 0.14 7.02 0.15 -1.26 -0.90 113.70 116.58 3bz4 s SER 64 Ca -0.04 0.06 -0.07 0.00 0.70 0.00 0.00 55.95 56.61 3bz4 s SER 64 Cb -0.00 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 3bz4 s SER 64 CO -0.04 -0.31 0.21 -0.94 1.20 0.00 0.00 173.24 173.36 3bz4 s SER 65 N -0.94 0.13 0.00 5.45 1.04 -0.74 -4.32 113.70 114.32 3bz4 s SER 65 Ca -0.10 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3bz4 s SER 65 Cb -0.05 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3bz4 s SER 65 CO 0.02 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.03 3bz4 n GLY 66 N -0.15 0.86 0.00 7.32 0.00 -1.26 -0.65 105.19 111.32 3bz4 n GLY 66 Ca -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3bz4 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bz4 n SER 67 N 0.00 0.00 0.29 1.61 3.41 0.11 -4.98 113.62 114.06 3bz4 n SER 67 Ca 0.00 -0.09 0.18 0.00 -0.26 0.00 0.00 58.87 58.70 3bz4 n SER 67 Cb 0.00 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 64.73 3bz4 n SER 67 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bz4 h GLY 68 N 0.00 0.00 0.00 5.00 0.00 -1.97 -3.39 103.07 102.72 3bz4 h GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bz4 h GLY 68 CO 0.00 0.00 -0.40 -1.30 0.00 0.00 0.00 176.54 174.84 3bz4 n THR 69 N -3.13 0.00 -4.49 4.70 -2.24 -1.26 -4.21 114.28 103.66 3bz4 n THR 69 Ca -0.00 -0.09 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 3bz4 n THR 69 Cb 0.27 0.51 -0.16 0.00 -2.10 0.00 0.00 70.33 68.84 3bz4 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3bz4 s ASP 70 N -0.98 1.51 0.03 3.42 1.01 -1.26 -1.12 116.67 119.28 3bz4 s ASP 70 Ca 0.00 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.03 3bz4 s ASP 70 Cb 0.00 -0.61 -0.02 0.00 1.01 0.00 0.00 42.92 43.30 3bz4 s ASP 70 CO 0.00 0.04 -0.06 -0.36 0.21 0.00 0.00 175.17 175.00 3bz4 s PHE 71 N 0.53 0.52 -0.04 4.23 0.08 -0.35 -0.71 117.98 122.24 3bz4 s PHE 71 Ca -0.10 -0.52 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 3bz4 s PHE 71 Cb -0.13 -0.32 0.03 0.00 -0.57 0.00 0.00 43.02 42.02 3bz4 s PHE 71 CO 0.02 -0.12 0.04 0.99 -0.10 0.00 0.00 175.22 176.05 3bz4 s THR 72 N -1.43 -0.02 -0.13 0.64 2.01 0.18 -1.83 115.64 115.06 3bz4 s THR 72 Ca -0.12 0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.05 3bz4 s THR 72 Cb -0.10 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 3bz4 s THR 72 CO -0.00 0.17 0.38 -0.22 -0.69 0.00 0.00 174.62 174.26 3bz4 s LEU 73 N 1.84 4.28 -0.06 4.42 2.96 0.76 -1.78 118.68 131.10 3bz4 s LEU 73 Ca 0.01 0.68 0.06 0.00 -0.22 0.00 0.00 54.13 54.66 3bz4 s LEU 73 Cb -0.12 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 3bz4 s LEU 73 CO -0.03 0.08 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.24 3bz4 s ARG 74 N 0.37 2.57 -0.22 1.98 3.52 -0.08 -0.78 118.95 126.32 3bz4 s ARG 74 Ca 0.21 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3bz4 s ARG 74 Cb -0.14 -2.14 0.03 0.00 -1.56 0.00 0.00 34.95 31.13 3bz4 s ARG 74 CO 0.07 0.34 -0.13 0.42 -0.81 0.00 0.00 175.30 175.20 3bz4 s ILE 75 N -0.07 2.43 0.06 4.11 1.01 -0.67 -1.44 121.20 126.63 3bz4 s ILE 75 Ca -0.06 -1.07 -0.13 0.00 0.00 0.00 0.00 60.65 59.39 3bz4 s ILE 75 Cb -0.14 -2.17 -0.28 0.00 0.01 0.00 0.00 42.46 39.87 3bz4 s ILE 75 CO 0.04 0.32 1.13 0.77 0.00 0.00 0.00 174.94 177.20 3bz4 h SER 76 N 7.94 0.81 -2.30 3.58 4.64 -1.57 0.16 113.55 126.81 3bz4 h SER 76 Ca -0.36 -0.75 -0.55 0.00 -0.47 0.00 0.00 61.79 59.66 3bz4 h SER 76 Cb 1.11 -0.26 -0.37 0.00 -0.31 0.00 0.00 62.40 62.58 3bz4 h SER 76 CO 0.58 1.56 -0.92 -0.13 -0.87 0.00 0.00 176.83 177.05 3bz4 s ARG 77 N -2.99 0.84 0.36 4.77 0.52 -1.26 -2.85 118.95 118.35 3bz4 s ARG 77 Ca -0.09 -1.86 -0.28 0.00 -0.52 0.00 0.00 55.73 52.98 3bz4 s ARG 77 Cb 0.06 -1.28 -0.11 0.00 0.52 0.00 0.00 34.95 34.14 3bz4 s ARG 77 CO 0.92 -1.35 1.47 0.28 0.02 0.00 0.00 175.30 176.64 3bz4 n VAL 78 N 3.11 1.85 -4.27 3.52 0.31 -0.49 -4.55 118.33 117.80 3bz4 n VAL 78 Ca 0.25 -0.46 -0.24 0.00 -0.01 0.00 0.00 64.34 63.89 3bz4 n VAL 78 Cb 0.46 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.42 3bz4 n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3bz4 s GLU 79 N -1.83 2.21 0.37 5.55 2.02 -1.26 -1.02 118.70 124.73 3bz4 s GLU 79 Ca 0.55 -1.57 0.04 0.00 0.02 0.00 0.00 54.97 54.01 3bz4 s GLU 79 Cb -0.50 -2.07 0.71 0.00 0.10 0.00 0.00 34.13 32.37 3bz4 s GLU 79 CO 0.61 0.23 2.02 0.00 0.02 0.00 0.00 175.26 178.14 3bz4 h ALA 80 N 1.81 1.61 0.00 5.21 0.00 -1.90 -1.63 119.26 124.35 3bz4 h ALA 80 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3bz4 h ALA 80 Cb 1.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3bz4 h ALA 80 CO 0.63 0.35 0.00 1.05 0.00 0.00 0.00 179.25 181.28 3bz4 h GLU 81 N 0.77 0.00 -0.00 0.00 4.11 -1.84 -2.98 114.58 114.64 3bz4 h GLU 81 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 3bz4 h GLU 81 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3bz4 h GLU 81 CO -0.05 0.00 -0.07 -0.25 0.07 0.00 0.00 179.01 178.71 3bz4 n ASP 82 N -2.42 0.16 -4.76 3.06 8.00 -0.61 -4.90 116.55 115.07 3bz4 n ASP 82 Ca -0.01 -0.11 -0.36 0.00 0.71 0.00 0.00 54.79 55.02 3bz4 n ASP 82 Cb 0.06 -0.24 0.02 0.00 -0.02 0.00 0.00 41.12 40.94 3bz4 n ASP 82 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3bz4 s VAL 83 N -2.68 2.90 -5.00 2.53 -7.23 -1.12 -4.87 120.40 104.92 3bz4 s VAL 83 Ca 0.24 0.57 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 3bz4 s VAL 83 Cb 0.20 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.90 3bz4 s VAL 83 CO 0.50 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 3bz4 n GLY 84 N 0.34 -0.14 3.30 2.32 0.00 -1.25 -4.44 105.19 105.32 3bz4 n GLY 84 Ca 0.12 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 3bz4 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bz4 s ILE 85 N -2.65 2.87 -0.25 -0.61 1.01 -0.39 -1.07 121.20 120.11 3bz4 s ILE 85 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 3bz4 s ILE 85 Cb 0.00 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 3bz4 s ILE 85 CO 0.00 0.50 0.13 -0.31 0.00 0.00 0.00 174.94 175.27 3bz4 s TYR 86 N 0.78 3.19 -0.10 3.97 1.51 0.10 -0.91 117.35 125.90 3bz4 s TYR 86 Ca -0.05 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 3bz4 s TYR 86 Cb -0.15 -2.29 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 3bz4 s TYR 86 CO 0.01 -0.16 -0.11 0.71 -1.11 0.00 0.00 175.55 174.89 3bz4 s TYR 87 N 1.46 2.83 0.33 2.71 2.02 0.11 -0.30 117.35 126.51 3bz4 s TYR 87 Ca 0.06 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.45 3bz4 s TYR 87 Cb -0.15 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3bz4 s TYR 87 CO 0.07 0.05 0.55 0.00 -1.57 0.00 0.00 175.55 174.65 3bz4 s ALA 89 N -2.26 -1.48 0.27 0.00 0.00 -0.52 -0.77 121.76 117.00 3bz4 s ALA 89 Ca 0.41 0.63 0.08 0.00 0.00 0.00 0.00 51.96 53.08 3bz4 s ALA 89 Cb -0.10 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3bz4 s ALA 89 CO 0.35 -0.60 0.14 -3.38 0.00 0.00 0.00 175.76 172.27 3bz4 s HIS 90 N -2.85 2.93 -0.44 0.00 -3.43 -1.21 -0.77 115.29 109.52 3bz4 s HIS 90 Ca -0.03 -0.19 0.10 0.00 -0.80 0.00 0.00 55.06 54.14 3bz4 s HIS 90 Cb -0.00 -1.41 0.35 0.00 -1.43 0.00 0.00 32.58 30.09 3bz4 s HIS 90 CO -0.05 0.49 0.80 -1.71 -2.00 0.00 0.00 174.74 172.28 3bz4 n ASN 91 N -1.12 2.02 0.00 7.38 5.15 -0.53 -4.64 115.26 123.53 3bz4 n ASN 91 Ca -0.06 -3.23 0.00 0.00 -0.60 0.00 0.00 54.58 50.69 3bz4 n ASN 91 Cb 0.59 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 3bz4 n ASN 91 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3bz4 n VAL 92 N 0.10 0.00 -3.74 3.44 0.24 -1.26 -4.89 118.33 112.22 3bz4 n VAL 92 Ca 0.27 -0.37 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 3bz4 n VAL 92 Cb 0.58 0.87 -0.02 0.00 -1.47 0.00 0.00 33.84 33.80 3bz4 n VAL 92 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3bz4 s GLU 93 N -1.23 1.39 -0.05 7.34 -1.05 -1.26 -5.15 118.70 118.68 3bz4 s GLU 93 Ca 0.00 -0.73 -0.05 0.00 -0.15 0.00 0.00 54.97 54.04 3bz4 s GLU 93 Cb 0.00 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.14 3bz4 s GLU 93 CO 0.00 -0.63 0.17 -0.51 0.95 0.00 0.00 175.26 175.24 3bz4 s LEU 94 N -2.88 4.38 0.52 1.83 1.43 -1.26 -3.94 118.68 118.75 3bz4 s LEU 94 Ca 0.10 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.41 3bz4 s LEU 94 Cb -0.03 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 3bz4 s LEU 94 CO 0.02 0.32 1.13 -2.16 0.23 0.00 0.00 176.35 175.89 3bz4 s PRO 95 N -1.55 3.51 -0.03 1.29 0.04 -1.26 -4.65 135.00 132.34 3bz4 s PRO 95 Ca 0.22 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 3bz4 s PRO 95 Cb -0.12 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 3bz4 s PRO 95 CO 0.13 -0.73 1.14 1.03 0.04 0.00 0.00 177.00 178.61 3bz4 s ARG 96 N -3.12 4.41 0.12 4.56 0.52 -1.25 -4.79 118.95 119.38 3bz4 s ARG 96 Ca 0.70 1.62 0.08 0.00 -0.52 0.00 0.00 55.73 57.60 3bz4 s ARG 96 Cb -0.24 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 3bz4 s ARG 96 CO 0.28 -0.33 -0.19 0.95 0.02 0.00 0.00 175.30 176.03 3bz4 s THR 97 N 1.76 1.62 0.15 0.02 -4.23 -1.26 -5.09 115.64 108.61 3bz4 s THR 97 Ca 0.55 -1.63 0.10 0.00 -1.18 0.00 0.00 61.69 59.54 3bz4 s THR 97 Cb -0.24 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 3bz4 s THR 97 CO 0.24 -0.19 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.53 3bz4 s PHE 98 N -1.51 2.18 1.12 3.99 0.40 -1.26 -3.33 117.98 119.57 3bz4 s PHE 98 Ca 0.08 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.88 3bz4 s PHE 98 Cb -0.08 -1.14 0.25 0.00 0.51 0.00 0.00 43.02 42.56 3bz4 s PHE 98 CO 0.04 0.37 1.06 0.20 0.70 0.00 0.00 175.22 177.60 3bz4 s GLY 99 N -2.30 1.55 0.00 4.36 0.00 0.05 -4.56 107.32 106.41 3bz4 s GLY 99 Ca 0.15 -0.48 0.27 0.00 0.00 0.00 0.00 44.72 44.66 3bz4 s GLY 99 CO 0.07 0.26 1.86 0.61 0.00 0.00 0.00 173.10 175.90 3bz4 n GLY 100 N -0.38 -1.38 0.00 0.20 0.00 -1.26 -4.76 105.19 97.61 3bz4 n GLY 100 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3bz4 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bz4 n GLY 101 N 1.21 0.25 3.32 -0.02 0.00 -1.26 -4.99 105.19 103.71 3bz4 n GLY 101 Ca 0.07 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 3bz4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bz4 s THR 102 N -1.03 3.11 -0.11 2.61 2.01 0.59 -4.05 115.64 118.77 3bz4 s THR 102 Ca 0.00 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.15 3bz4 s THR 102 Cb 0.00 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3bz4 s THR 102 CO 0.00 0.48 0.77 -0.75 -0.69 0.00 0.00 174.62 174.43 3bz4 s LYS 103 N 0.98 4.38 -0.19 4.92 2.20 -0.24 -0.72 119.74 131.07 3bz4 s LYS 103 Ca -0.01 0.97 -0.20 0.00 -0.36 0.00 0.00 55.97 56.37 3bz4 s LYS 103 Cb -0.15 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 3bz4 s LYS 103 CO -0.01 -0.11 0.61 -1.17 -0.36 0.00 0.00 175.35 174.31 3bz4 s LEU 104 N 1.40 4.16 -0.08 5.43 2.96 -0.23 -3.28 118.68 129.03 3bz4 s LEU 104 Ca 0.39 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 55.13 3bz4 s LEU 104 Cb -0.18 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 3bz4 s LEU 104 CO 0.17 -0.24 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.17 3bz4 s GLU 105 N 1.77 2.82 -0.19 1.98 2.12 -1.26 -3.80 118.70 122.14 3bz4 s GLU 105 Ca 0.28 -0.59 -0.14 0.00 0.36 0.00 0.00 54.97 54.87 3bz4 s GLU 105 Cb -0.16 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 3bz4 s GLU 105 CO 0.11 0.58 0.33 0.42 -0.54 0.00 0.00 175.26 176.15 3bz4 s ILE 106 N -0.59 5.27 -0.16 -3.70 -1.09 -1.26 -0.92 121.20 118.75 3bz4 s ILE 106 Ca 0.09 0.58 -0.23 0.00 -2.23 0.00 0.00 60.65 58.86 3bz4 s ILE 106 Cb -0.12 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 3bz4 s ILE 106 CO 0.02 0.33 0.70 -0.75 -1.23 0.00 0.00 174.94 174.00 3bz4 s LYS 107 N 0.89 4.29 0.38 2.79 2.20 0.30 -4.76 119.74 125.83 3bz4 s LYS 107 Ca 0.17 0.79 0.05 0.00 -0.36 0.00 0.00 55.97 56.61 3bz4 s LYS 107 Cb -0.14 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3bz4 s LYS 107 CO 0.06 -0.18 0.18 -0.98 -0.36 0.00 0.00 175.35 174.06 3bz4 s ARG 108 N 1.68 1.87 0.46 4.03 1.70 -1.26 -3.76 118.95 123.67 3bz4 s ARG 108 Ca 0.33 -2.13 -0.24 0.00 -0.47 0.00 0.00 55.73 53.23 3bz4 s ARG 108 Cb -0.16 -0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 33.86 3bz4 s ARG 108 CO 0.13 -0.54 1.25 0.00 -1.08 0.00 0.00 175.30 175.05 3bz4 s ALA 109 N -3.30 3.04 0.42 7.88 0.00 -1.26 -4.94 121.76 123.60 3bz4 s ALA 109 Ca 0.29 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 53.10 3bz4 s ALA 109 Cb 0.02 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3bz4 s ALA 109 CO 0.19 -0.86 1.46 -0.51 0.00 0.00 0.00 175.76 176.03 3bz4 s ASP 110 N -1.06 6.05 -0.03 0.00 1.01 -1.26 -4.77 116.67 116.60 3bz4 s ASP 110 Ca 0.63 2.99 0.00 0.00 0.71 0.00 0.00 52.55 56.88 3bz4 s ASP 110 Cb -0.34 -2.66 0.03 0.00 1.01 0.00 0.00 42.92 40.95 3bz4 s ASP 110 CO 0.42 -1.07 0.01 0.00 0.21 0.00 0.00 175.17 174.74 3bz4 s ALA 111 N -1.17 0.29 0.52 5.23 0.00 0.47 -4.90 121.76 122.20 3bz4 s ALA 111 Ca 0.58 0.18 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 3bz4 s ALA 111 Cb -0.45 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.28 3bz4 s ALA 111 CO 0.60 -0.09 1.11 0.00 0.00 0.00 0.00 175.76 177.37 3bz4 s ALA 112 N 1.06 2.76 0.52 0.00 0.00 -1.26 -1.39 121.76 123.45 3bz4 s ALA 112 Ca -0.09 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.44 3bz4 s ALA 112 Cb -0.13 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 3bz4 s ALA 112 CO -0.02 -0.63 1.13 -1.25 0.00 0.00 0.00 175.76 174.99 3bz4 s PRO 113 N -3.22 3.46 -0.25 0.00 0.04 -1.26 -4.49 135.00 129.27 3bz4 s PRO 113 Ca 0.71 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 3bz4 s PRO 113 Cb -0.22 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 3bz4 s PRO 113 CO 0.25 -0.76 0.46 0.99 0.04 0.00 0.00 177.00 177.98 3bz4 s THR 114 N -1.75 5.12 -0.14 1.26 2.01 -0.62 -4.88 115.64 116.64 3bz4 s THR 114 Ca 0.71 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 63.45 3bz4 s THR 114 Cb -0.24 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 3bz4 s THR 114 CO 0.27 0.13 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.63 3bz4 s VAL 115 N 2.09 4.11 -0.05 3.82 1.01 -1.26 -1.13 120.40 128.99 3bz4 s VAL 115 Ca 0.19 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3bz4 s VAL 115 Cb -0.16 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.45 3bz4 s VAL 115 CO 0.09 0.52 -0.10 -0.44 0.00 0.00 0.00 175.10 175.17 3bz4 s SER 116 N 0.06 1.43 -0.00 3.32 0.01 -0.52 -4.98 113.70 113.01 3bz4 s SER 116 Ca 0.01 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.08 3bz4 s SER 116 Cb -0.13 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 3bz4 s SER 116 CO 0.02 0.03 -0.08 -0.51 0.41 0.00 0.00 173.24 173.12 3bz4 s ILE 117 N 0.52 3.59 -0.08 1.44 2.07 -1.26 -0.62 121.20 126.86 3bz4 s ILE 117 Ca -0.10 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.39 3bz4 s ILE 117 Cb -0.13 -2.54 0.02 0.00 0.13 0.00 0.00 42.46 39.94 3bz4 s ILE 117 CO 0.02 0.42 -0.06 -0.36 -1.91 0.00 0.00 174.94 173.05 3bz4 s PHE 118 N -0.96 1.08 0.83 3.50 0.08 0.54 -5.00 117.98 118.04 3bz4 s PHE 118 Ca 0.16 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 3bz4 s PHE 118 Cb -0.11 -0.94 0.09 0.00 -0.57 0.00 0.00 43.02 41.48 3bz4 s PHE 118 CO 0.06 -0.34 1.09 -2.14 -0.10 0.00 0.00 175.22 173.80 3bz4 s PRO 119 N 1.36 1.81 0.48 0.24 0.02 -1.26 -2.11 135.00 135.54 3bz4 s PRO 119 Ca -0.03 1.00 -0.24 0.00 0.02 0.00 0.00 61.00 61.75 3bz4 s PRO 119 Cb -0.14 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 3bz4 s PRO 119 CO -0.03 -1.90 1.30 -2.30 -0.33 0.00 0.00 177.00 173.74 3bz4 n PRO 120 N -3.68 1.82 -1.83 5.54 -0.02 -1.20 -4.84 135.00 130.79 3bz4 n PRO 120 Ca 0.08 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 3bz4 n PRO 120 Cb 0.54 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3bz4 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3bz4 s SER 121 N -0.71 5.19 0.44 2.55 1.04 -1.26 -4.92 113.70 116.03 3bz4 s SER 121 Ca 0.66 2.03 0.16 0.00 0.48 0.00 0.00 55.95 59.27 3bz4 s SER 121 Cb -0.46 -2.56 1.00 0.00 0.10 0.00 0.00 66.02 64.11 3bz4 s SER 121 CO 0.54 -1.58 1.97 0.77 0.98 0.00 0.00 173.24 175.92 3bz4 h SER 122 N 0.20 0.00 -0.07 7.02 4.64 -1.99 -1.59 113.55 121.76 3bz4 h SER 122 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3bz4 h SER 122 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3bz4 h SER 122 CO 0.54 0.21 0.03 -0.33 -0.87 0.00 0.00 176.83 176.42 3bz4 h GLU 123 N 0.00 0.10 -0.58 4.77 3.07 -1.99 -0.09 114.58 119.86 3bz4 h GLU 123 Ca -0.00 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3bz4 h GLU 123 Cb 0.39 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3bz4 h GLU 123 CO 0.03 0.19 0.18 0.37 -1.40 0.00 0.00 179.01 178.38 3bz4 h GLN 124 N -0.02 0.90 -0.68 2.33 4.15 -1.77 -2.51 115.11 117.50 3bz4 h GLN 124 Ca 0.02 -0.19 0.03 0.00 0.77 0.00 0.00 58.65 59.28 3bz4 h GLN 124 Cb 0.13 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 3bz4 h GLN 124 CO -0.00 0.81 0.42 -0.07 -1.93 0.00 0.00 178.83 178.06 3bz4 h LEU 125 N 0.82 0.69 -1.15 -2.39 3.38 -1.11 -1.64 115.31 113.91 3bz4 h LEU 125 Ca 0.19 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.31 3bz4 h LEU 125 Cb 0.28 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 3bz4 h LEU 125 CO -0.01 0.47 0.61 0.74 0.09 0.00 0.00 178.44 180.34 3bz4 h THR 126 N 0.82 0.81 0.00 0.22 2.02 -0.70 -1.16 112.91 114.93 3bz4 h THR 126 Ca 0.28 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3bz4 h THR 126 Cb 0.04 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3bz4 h THR 126 CO -0.11 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.38 3bz4 n SER 127 N -4.62 0.10 0.00 4.18 3.41 -0.76 -4.90 113.62 111.01 3bz4 n SER 127 Ca 0.20 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 3bz4 n SER 127 Cb 0.48 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3bz4 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bz4 n GLY 128 N 0.94 0.82 3.66 5.00 0.00 -0.44 -5.07 105.19 110.10 3bz4 n GLY 128 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3bz4 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bz4 s GLY 129 N -1.65 2.00 -0.29 -0.02 0.00 -0.69 -1.31 107.32 105.36 3bz4 s GLY 129 Ca 0.00 -1.90 0.03 0.00 0.00 0.00 0.00 44.72 42.85 3bz4 s GLY 129 CO 0.00 -1.85 0.47 0.00 0.00 0.00 0.00 173.10 171.72 3bz4 s ALA 130 N -2.48 -1.58 -0.19 3.20 0.00 -0.13 -3.09 121.76 117.48 3bz4 s ALA 130 Ca 0.35 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 3bz4 s ALA 130 Cb -0.01 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3bz4 s ALA 130 CO 0.20 -1.80 0.06 -1.12 0.00 0.00 0.00 175.76 173.10 3bz4 s SER 131 N 2.59 5.49 -0.20 0.00 0.01 -1.26 -0.56 113.70 119.78 3bz4 s SER 131 Ca 0.10 0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.30 3bz4 s SER 131 Cb -0.12 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 3bz4 s SER 131 CO -0.28 0.14 0.07 -0.69 0.41 0.00 0.00 173.24 172.90 3bz4 s VAL 132 N 0.57 4.79 -0.08 3.43 1.01 0.45 -3.23 120.40 127.33 3bz4 s VAL 132 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3bz4 s VAL 132 Cb -0.13 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3bz4 s VAL 132 CO 0.01 0.43 -0.19 -0.69 0.00 0.00 0.00 175.10 174.66 3bz4 s VAL 133 N 0.62 2.53 -0.12 2.92 1.01 -0.90 -0.14 120.40 126.32 3bz4 s VAL 133 Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3bz4 s VAL 133 Cb -0.13 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3bz4 s VAL 133 CO 0.01 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.52 3bz4 s PHE 135 N 1.08 3.46 -0.48 0.00 0.08 0.21 -0.94 117.98 121.39 3bz4 s PHE 135 Ca -0.04 0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.41 3bz4 s PHE 135 Cb -0.14 -2.03 0.12 0.00 -0.57 0.00 0.00 43.02 40.40 3bz4 s PHE 135 CO -0.03 0.48 0.22 -0.51 -0.10 0.00 0.00 175.22 175.28 3bz4 s LEU 136 N -0.33 4.60 -0.07 -0.37 1.02 -0.07 -1.44 118.68 122.01 3bz4 s LEU 136 Ca 0.11 -2.72 -0.02 0.00 0.02 0.00 0.00 54.13 51.51 3bz4 s LEU 136 Cb -0.12 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 3bz4 s LEU 136 CO 0.01 -0.30 0.03 0.20 0.02 0.00 0.00 176.35 176.31 3bz4 s ASN 137 N 0.25 5.45 -1.09 2.29 0.01 -0.29 -0.87 114.94 120.69 3bz4 s ASN 137 Ca 0.15 0.18 -0.10 0.00 -0.71 0.00 0.00 52.86 52.38 3bz4 s ASN 137 Cb -0.23 -1.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 3bz4 s ASN 137 CO -0.03 0.36 0.88 0.59 -1.51 0.00 0.00 177.10 177.39 3bz4 n ASN 138 N 1.94 -5.85 -4.59 -1.22 4.13 -0.86 -1.58 115.26 107.23 3bz4 n ASN 138 Ca -0.18 -0.80 -0.24 0.00 1.68 0.00 0.00 54.58 55.04 3bz4 n ASN 138 Cb 0.54 -4.64 -0.09 0.00 -1.54 0.00 0.00 39.78 34.05 3bz4 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3bz4 s PHE 139 N -3.42 2.51 -0.21 3.10 -0.12 -0.10 -4.60 117.98 115.15 3bz4 s PHE 139 Ca 0.43 -0.39 -0.16 0.00 -0.05 0.00 0.00 56.93 56.76 3bz4 s PHE 139 Cb -0.09 -1.34 0.06 0.00 -0.63 0.00 0.00 43.02 41.02 3bz4 s PHE 139 CO 0.78 0.56 0.53 -0.47 -0.05 0.00 0.00 175.22 176.56 3bz4 s TYR 140 N -2.50 -0.67 1.04 3.49 6.14 -0.49 -1.12 117.35 123.25 3bz4 s TYR 140 Ca 0.33 1.51 -0.18 0.00 0.64 0.00 0.00 57.07 59.37 3bz4 s TYR 140 Cb -0.02 0.28 0.25 0.00 0.42 0.00 0.00 41.96 42.89 3bz4 s TYR 140 CO 0.18 -0.33 1.20 -0.35 0.64 0.00 0.00 175.55 176.89 3bz4 n PRO 141 N 3.38 -1.94 0.15 4.97 -0.04 -1.26 -0.40 135.00 139.86 3bz4 n PRO 141 Ca -0.17 -1.88 0.03 0.00 -0.04 0.00 0.00 63.50 61.44 3bz4 n PRO 141 Cb 0.56 -1.42 0.40 0.00 -0.04 0.00 0.00 33.50 33.00 3bz4 n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3bz4 h LYS 142 N 0.00 0.15 -6.67 0.54 3.64 -1.98 -3.44 116.57 108.81 3bz4 h LYS 142 Ca -0.41 -0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.41 3bz4 h LYS 142 Cb 1.17 -0.02 0.04 0.00 -0.41 0.00 0.00 32.23 33.01 3bz4 h LYS 142 CO 0.28 0.35 0.73 -0.51 -2.27 0.00 0.00 179.45 178.03 3bz4 s ASP 143 N -6.92 6.76 0.02 4.20 1.11 -1.26 -5.00 116.67 115.59 3bz4 s ASP 143 Ca -0.05 2.50 -0.28 0.00 0.18 0.00 0.00 52.55 54.91 3bz4 s ASP 143 Cb 0.15 -2.61 0.08 0.00 1.07 0.00 0.00 42.92 41.62 3bz4 s ASP 143 CO 0.73 -0.65 0.73 -0.51 1.18 0.00 0.00 175.17 176.65 3bz4 s ILE 144 N 0.40 0.00 0.02 0.77 2.07 -1.26 -4.71 121.20 118.49 3bz4 s ILE 144 Ca 0.61 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 3bz4 s ILE 144 Cb -0.39 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.18 3bz4 s ILE 144 CO 0.37 0.00 -0.12 0.20 -1.91 0.00 0.00 174.94 173.48 3bz4 s ASN 145 N -1.98 1.42 -0.03 4.50 0.01 -0.77 -5.02 114.94 113.07 3bz4 s ASN 145 Ca -0.03 -0.34 0.05 0.00 -0.71 0.00 0.00 52.86 51.84 3bz4 s ASN 145 Cb -0.01 -0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.53 3bz4 s ASN 145 CO -0.03 0.06 -0.18 0.54 -1.51 0.00 0.00 177.10 175.98 3bz4 s VAL 146 N -0.60 1.50 -0.04 1.60 0.11 -1.26 -1.00 120.40 120.70 3bz4 s VAL 146 Ca 0.02 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.34 3bz4 s VAL 146 Cb -0.06 -1.27 -0.00 0.00 -1.53 0.00 0.00 36.38 33.51 3bz4 s VAL 146 CO 0.00 0.43 -0.18 -0.75 -3.33 0.00 0.00 175.10 171.27 3bz4 s LYS 147 N -0.17 1.84 -0.08 1.54 2.20 -0.39 -4.97 119.74 119.71 3bz4 s LYS 147 Ca 0.01 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 54.94 3bz4 s LYS 147 Cb -0.10 -1.59 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 3bz4 s LYS 147 CO 0.01 0.25 0.12 -1.58 -0.36 0.00 0.00 175.35 173.79 3bz4 s TRP 148 N 0.03 3.50 0.03 4.03 0.52 -1.26 -0.36 118.94 125.43 3bz4 s TRP 148 Ca -0.04 0.42 0.05 0.00 0.02 0.00 0.00 56.10 56.55 3bz4 s TRP 148 Cb -0.12 -1.88 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 3bz4 s TRP 148 CO 0.02 0.67 -0.14 0.15 0.02 0.00 0.00 176.95 177.67 3bz4 s LYS 149 N -1.24 0.99 -0.17 4.98 1.02 0.02 -0.35 119.74 125.00 3bz4 s LYS 149 Ca 0.18 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.47 3bz4 s LYS 149 Cb -0.12 -1.00 0.03 0.00 -0.52 0.00 0.00 37.83 36.22 3bz4 s LYS 149 CO 0.07 0.25 -0.15 0.42 -0.92 0.00 0.00 175.35 175.03 3bz4 s ILE 150 N -0.73 1.71 -1.51 2.17 1.01 0.11 -0.93 121.20 123.04 3bz4 s ILE 150 Ca 0.03 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 3bz4 s ILE 150 Cb -0.07 -1.63 0.09 0.00 0.01 0.00 0.00 42.46 40.85 3bz4 s ILE 150 CO 0.01 0.41 0.84 0.47 0.00 0.00 0.00 174.94 176.66 3bz4 n ASP 151 N 4.71 -4.54 0.00 3.58 8.00 0.09 -2.00 116.55 126.39 3bz4 n ASP 151 Ca -0.17 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.63 3bz4 n ASP 151 Cb 0.49 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 3bz4 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bz4 n GLY 152 N -1.54 2.79 3.87 0.44 0.00 -1.26 -5.03 105.19 104.46 3bz4 n GLY 152 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3bz4 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bz4 s SER 153 N -1.47 6.43 0.23 1.61 0.01 -0.85 -4.97 113.70 114.69 3bz4 s SER 153 Ca 0.00 0.52 -0.31 0.00 1.31 0.00 0.00 55.95 57.47 3bz4 s SER 153 Cb 0.00 -2.09 -0.12 0.00 0.21 0.00 0.00 66.02 64.02 3bz4 s SER 153 CO 0.00 0.39 1.67 -0.70 0.41 0.00 0.00 173.24 175.01 3bz4 s GLU 154 N -0.99 4.13 -0.13 12.44 2.12 -1.26 -0.71 118.70 134.31 3bz4 s GLU 154 Ca 0.16 2.57 -0.00 0.00 0.36 0.00 0.00 54.97 58.06 3bz4 s GLU 154 Cb -0.12 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 3bz4 s GLU 154 CO 0.05 -0.70 -0.12 0.50 -0.54 0.00 0.00 175.26 174.45 3bz4 s ARG 155 N 0.65 3.34 -0.18 4.30 6.06 0.52 -4.86 118.95 128.78 3bz4 s ARG 155 Ca 0.71 -0.66 -0.09 0.00 -2.50 0.00 0.00 55.73 53.19 3bz4 s ARG 155 Cb -0.48 -2.65 -0.08 0.00 0.06 0.00 0.00 34.95 31.80 3bz4 s ARG 155 CO 0.37 0.27 -0.23 1.04 -2.50 0.00 0.00 175.30 174.24 3bz4 n GLN 156 N 3.39 0.38 -2.94 5.12 6.02 -1.26 -4.23 117.38 123.86 3bz4 n GLN 156 Ca -0.18 0.17 -0.30 0.00 -0.01 0.00 0.00 57.00 56.68 3bz4 n GLN 156 Cb 0.53 -1.14 -0.03 0.00 1.02 0.00 0.00 30.24 30.61 3bz4 n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3bz4 s ASN 157 N -6.61 6.51 0.00 1.08 0.01 -1.26 -3.97 114.94 110.70 3bz4 s ASN 157 Ca -0.25 1.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 3bz4 s ASN 157 Cb 0.10 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.46 3bz4 s ASN 157 CO 0.32 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 176.16 3bz4 n GLY 158 N -1.21 0.75 3.60 0.66 0.00 -1.26 -4.90 105.19 102.82 3bz4 n GLY 158 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3bz4 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bz4 s VAL 159 N -2.38 4.66 -0.08 1.61 1.01 -1.25 -0.63 120.40 123.34 3bz4 s VAL 159 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3bz4 s VAL 159 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3bz4 s VAL 159 CO 0.00 0.44 -0.18 -0.76 0.00 0.00 0.00 175.10 174.60 3bz4 s LEU 160 N 0.59 1.87 0.05 3.92 1.43 -0.02 -4.95 118.68 121.57 3bz4 s LEU 160 Ca 0.03 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3bz4 s LEU 160 Cb -0.13 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3bz4 s LEU 160 CO 0.01 0.10 -0.05 0.20 0.23 0.00 0.00 176.35 176.85 3bz4 s ASN 161 N 0.47 4.73 -0.08 2.29 0.02 -1.26 -1.04 114.94 120.07 3bz4 s ASN 161 Ca -0.16 -0.20 -0.06 0.00 -1.02 0.00 0.00 52.86 51.41 3bz4 s ASN 161 Cb -0.17 -1.08 0.03 0.00 0.02 0.00 0.00 41.25 40.05 3bz4 s ASN 161 CO 0.06 0.22 0.21 -0.55 0.02 0.00 0.00 177.10 177.07 3bz4 s SER 162 N -1.90 -0.22 -0.08 -1.22 0.15 -0.47 -4.99 113.70 104.98 3bz4 s SER 162 Ca 0.21 0.43 0.03 0.00 0.70 0.00 0.00 55.95 57.33 3bz4 s SER 162 Cb -0.11 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 3bz4 s SER 162 CO 0.13 -0.10 -0.18 0.26 1.20 0.00 0.00 173.24 174.54 3bz4 s TRP 163 N 0.53 2.63 0.74 3.44 0.51 -1.26 -0.42 118.94 125.10 3bz4 s TRP 163 Ca -0.03 -0.56 -0.11 0.00 -2.12 0.00 0.00 56.10 53.28 3bz4 s TRP 163 Cb -0.05 -1.68 0.03 0.00 -0.81 0.00 0.00 33.47 30.96 3bz4 s TRP 163 CO -0.03 -0.11 1.07 0.95 -0.51 0.00 0.00 176.95 178.32 3bz4 s THR 164 N -0.14 3.64 0.88 2.01 -4.23 -0.09 -5.00 115.64 112.71 3bz4 s THR 164 Ca -0.02 0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.91 3bz4 s THR 164 Cb -0.14 -3.24 0.12 0.00 1.34 0.00 0.00 72.50 70.58 3bz4 s THR 164 CO 0.04 -0.70 1.09 -1.81 -0.54 0.00 0.00 174.62 172.70 3bz4 s ASP 165 N -3.77 3.62 0.24 3.99 1.01 -1.26 -4.59 116.67 115.91 3bz4 s ASP 165 Ca 0.59 1.51 -0.31 0.00 0.71 0.00 0.00 52.55 55.06 3bz4 s ASP 165 Cb -0.15 -2.20 -0.11 0.00 1.01 0.00 0.00 42.92 41.47 3bz4 s ASP 165 CO 0.55 -2.55 1.60 -1.58 0.21 0.00 0.00 175.17 173.40 3bz4 s GLN 166 N -4.94 4.16 0.31 8.23 0.74 -1.26 -4.75 119.66 122.15 3bz4 s GLN 166 Ca 0.63 2.51 -0.29 0.00 0.05 0.00 0.00 55.36 58.26 3bz4 s GLN 166 Cb -0.18 -3.07 -0.10 0.00 1.10 0.00 0.00 33.01 30.76 3bz4 s GLN 166 CO 0.57 -0.63 1.21 0.34 -0.55 0.00 0.00 175.29 176.23 3bz4 s ASP 167 N 0.76 6.98 0.31 6.67 2.15 0.48 -4.92 116.67 129.09 3bz4 s ASP 167 Ca 0.67 2.49 0.26 0.00 0.43 0.00 0.00 52.55 56.40 3bz4 s ASP 167 Cb -0.47 -2.64 0.86 0.00 -0.30 0.00 0.00 42.92 40.37 3bz4 s ASP 167 CO 0.40 -0.37 1.76 0.28 -0.17 0.00 0.00 175.17 177.08 3bz4 h SER 168 N 3.55 0.00 0.00 -0.34 0.02 -1.90 -2.14 113.55 112.73 3bz4 h SER 168 Ca -0.48 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.07 3bz4 h SER 168 Cb 1.22 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.70 3bz4 h SER 168 CO 0.66 0.00 -2.38 0.29 -1.14 0.00 0.00 176.83 174.26 3bz4 n LYS 169 N -2.50 0.54 -0.03 3.45 4.01 -1.26 -2.57 118.16 119.79 3bz4 n LYS 169 Ca 0.04 0.21 0.04 0.00 -0.51 0.00 0.00 58.31 58.09 3bz4 n LYS 169 Cb 0.37 -1.40 0.06 0.00 -0.51 0.00 0.00 35.03 33.54 3bz4 n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 3bz4 n ASP 170 N -3.88 1.97 -1.41 4.39 5.68 -1.26 -4.88 116.55 117.16 3bz4 n ASP 170 Ca -0.47 -1.52 -0.18 0.00 -0.50 0.00 0.00 54.79 52.12 3bz4 n ASP 170 Cb 0.87 -0.05 -0.08 0.00 -1.14 0.00 0.00 41.12 40.73 3bz4 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3bz4 n SER 171 N 0.43 -5.19 -4.95 -1.12 7.64 -0.80 -4.97 113.62 104.65 3bz4 n SER 171 Ca 0.06 0.43 -0.20 0.00 1.01 0.00 0.00 58.87 60.18 3bz4 n SER 171 Cb 0.26 -4.29 0.04 0.00 -1.01 0.00 0.00 64.21 59.21 3bz4 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bz4 s THR 172 N -2.68 2.62 0.24 0.44 -4.23 -1.26 -4.67 115.64 106.10 3bz4 s THR 172 Ca 0.00 -0.82 0.11 0.00 -1.18 0.00 0.00 61.69 59.81 3bz4 s THR 172 Cb 0.00 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 3bz4 s THR 172 CO 0.00 0.00 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.58 3bz4 s TYR 173 N -2.66 2.34 0.07 3.99 1.51 -0.28 -0.39 117.35 121.93 3bz4 s TYR 173 Ca 0.58 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 3bz4 s TYR 173 Cb -0.09 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 3bz4 s TYR 173 CO 0.37 0.62 -0.04 -1.12 -1.11 0.00 0.00 175.55 174.27 3bz4 s SER 174 N -3.18 0.74 -0.01 2.29 0.01 -1.26 -0.92 113.70 111.36 3bz4 s SER 174 Ca 0.27 -1.00 -0.02 0.00 1.31 0.00 0.00 55.95 56.50 3bz4 s SER 174 Cb -0.06 0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.32 3bz4 s SER 174 CO 0.14 -0.55 0.05 -0.32 0.41 0.00 0.00 173.24 172.97 3bz4 s MET 175 N -3.87 0.19 0.02 12.44 1.75 -0.05 -0.91 119.30 128.87 3bz4 s MET 175 Ca 0.09 -0.16 0.06 0.00 -1.25 0.00 0.00 55.69 54.42 3bz4 s MET 175 Cb 0.07 0.08 -0.03 0.00 2.84 0.00 0.00 34.83 37.79 3bz4 s MET 175 CO -0.08 -0.04 -0.15 -1.54 -0.65 0.00 0.00 175.02 172.56 3bz4 s SER 176 N -0.55 4.00 -0.07 1.11 1.04 0.44 -0.89 113.70 118.77 3bz4 s SER 176 Ca -0.06 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.06 3bz4 s SER 176 Cb -0.04 -0.74 0.01 0.00 0.10 0.00 0.00 66.02 65.35 3bz4 s SER 176 CO 0.00 0.28 -0.12 -0.55 0.98 0.00 0.00 173.24 173.83 3bz4 s SER 177 N -1.30 1.84 -0.10 7.02 0.15 -0.11 -1.37 113.70 119.82 3bz4 s SER 177 Ca 0.15 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.51 3bz4 s SER 177 Cb -0.11 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 3bz4 s SER 177 CO 0.05 0.02 -0.14 -0.89 1.20 0.00 0.00 173.24 173.48 3bz4 s THR 178 N 0.76 1.39 -0.29 6.45 2.01 -0.21 -0.69 115.64 125.07 3bz4 s THR 178 Ca -0.13 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.20 3bz4 s THR 178 Cb -0.16 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3bz4 s THR 178 CO 0.03 0.42 0.15 -0.22 -0.69 0.00 0.00 174.62 174.31 3bz4 s LEU 179 N 1.06 3.94 -0.18 4.42 2.96 0.80 -0.84 118.68 130.84 3bz4 s LEU 179 Ca -0.06 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3bz4 s LEU 179 Cb -0.15 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 3bz4 s LEU 179 CO -0.02 -0.10 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.90 3bz4 s THR 180 N 1.68 2.94 0.31 3.68 2.01 0.20 -0.41 115.64 126.06 3bz4 s THR 180 Ca 0.06 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.46 3bz4 s THR 180 Cb -0.16 -2.28 -0.06 0.00 0.01 0.00 0.00 72.50 70.01 3bz4 s THR 180 CO 0.08 0.49 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.70 3bz4 s LEU 181 N 0.99 2.51 0.58 4.42 1.43 0.28 -4.77 118.68 124.12 3bz4 s LEU 181 Ca -0.01 -1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 51.68 3bz4 s LEU 181 Cb -0.15 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 3bz4 s LEU 181 CO -0.02 -0.39 1.06 0.42 0.23 0.00 0.00 176.35 177.65 3bz4 s THR 182 N -2.98 3.78 0.26 5.49 -4.23 -1.26 -0.96 115.64 115.74 3bz4 s THR 182 Ca 0.32 0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 61.69 3bz4 s THR 182 Cb 0.05 -3.38 0.25 0.00 1.34 0.00 0.00 72.50 70.77 3bz4 s THR 182 CO 0.14 -0.47 1.71 0.50 -0.54 0.00 0.00 174.62 175.96 3bz4 h LYS 183 N 0.54 0.40 -0.09 3.99 3.64 -1.39 -1.34 116.57 122.33 3bz4 h LYS 183 Ca -0.47 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 3bz4 h LYS 183 Cb 1.22 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3bz4 h LYS 183 CO 0.57 0.27 -0.02 0.22 -2.27 0.00 0.00 179.45 178.22 3bz4 h ASP 184 N 0.41 -0.08 -0.49 4.20 3.58 -1.93 -1.06 116.42 121.05 3bz4 h ASP 184 Ca 0.48 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.86 3bz4 h ASP 184 Cb 0.81 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 3bz4 h ASP 184 CO -0.47 -0.03 -0.05 -0.08 -2.88 0.00 0.00 179.24 175.73 3bz4 h GLU 185 N -0.00 0.90 -0.82 0.28 4.81 -1.88 -3.13 114.58 114.73 3bz4 h GLU 185 Ca 0.04 -0.31 0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3bz4 h GLU 185 Cb 0.06 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 3bz4 h GLU 185 CO -0.09 0.96 0.47 -0.92 -0.73 0.00 0.00 179.01 178.70 3bz4 h TYR 186 N 0.75 0.87 -0.01 0.92 3.20 -0.85 -1.85 116.97 119.99 3bz4 h TYR 186 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3bz4 h TYR 186 Cb 0.58 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3bz4 h TYR 186 CO 0.04 0.38 0.00 0.39 -1.64 0.00 0.00 178.16 177.33 3bz4 n GLU 187 N -4.72 1.11 -0.04 1.82 1.02 -0.44 -2.95 120.64 116.44 3bz4 n GLU 187 Ca 0.13 -0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.22 3bz4 n GLU 187 Cb 0.25 -1.40 0.43 0.00 -0.02 0.00 0.00 31.44 30.69 3bz4 n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3bz4 n ARG 188 N -0.71 1.76 -4.10 3.49 1.74 -0.69 -4.93 116.66 113.23 3bz4 n ARG 188 Ca 0.19 -1.12 -0.10 0.00 -0.77 0.00 0.00 57.85 56.05 3bz4 n ARG 188 Cb 0.13 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 3bz4 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3bz4 s HIS 189 N -1.89 0.64 -0.13 -1.55 3.76 -1.15 -5.10 115.29 109.87 3bz4 s HIS 189 Ca 0.35 -0.83 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 3bz4 s HIS 189 Cb 0.20 -0.40 -0.08 0.00 1.11 0.00 0.00 32.58 33.40 3bz4 s HIS 189 CO 0.30 -0.22 -0.11 -1.71 -0.85 0.00 0.00 174.74 172.15 3bz4 n ASN 190 N 0.54 2.99 -4.58 1.40 5.15 -1.26 -4.79 115.26 114.70 3bz4 n ASN 190 Ca -0.17 -0.06 -0.34 0.00 -0.60 0.00 0.00 54.58 53.41 3bz4 n ASN 190 Cb 0.59 -0.20 -0.11 0.00 -0.53 0.00 0.00 39.78 39.53 3bz4 n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3bz4 s SER 191 N -5.24 5.18 -0.09 1.20 0.15 -1.26 0.12 113.70 113.77 3bz4 s SER 191 Ca -0.17 -0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.49 3bz4 s SER 191 Cb 0.04 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.57 3bz4 s SER 191 CO 0.29 0.21 -0.13 -0.31 1.20 0.00 0.00 173.24 174.50 3bz4 s TYR 192 N 0.14 1.66 -0.02 3.44 2.02 -0.54 -0.73 117.35 123.32 3bz4 s TYR 192 Ca 0.01 -0.70 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3bz4 s TYR 192 Cb -0.13 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 3bz4 s TYR 192 CO 0.02 -0.37 -0.07 0.99 -1.57 0.00 0.00 175.55 174.54 3bz4 s THR 193 N 0.89 0.66 -0.04 -0.71 2.01 -0.11 -1.61 115.64 116.73 3bz4 s THR 193 Ca -0.10 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.68 3bz4 s THR 193 Cb -0.15 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 3bz4 s THR 193 CO 0.01 0.22 -0.22 0.00 -0.69 0.00 0.00 174.62 173.93 3bz4 s GLU 195 N -0.46 2.22 -0.23 0.00 2.02 0.51 -1.53 118.70 121.24 3bz4 s GLU 195 Ca 0.05 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 3bz4 s GLU 195 Cb -0.12 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 3bz4 s GLU 195 CO 0.01 -0.13 0.07 0.00 0.02 0.00 0.00 175.26 175.23 3bz4 s ALA 196 N 1.19 3.27 -0.20 5.21 0.00 0.05 -1.26 121.76 130.02 3bz4 s ALA 196 Ca -0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 3bz4 s ALA 196 Cb -0.14 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 3bz4 s ALA 196 CO -0.05 -0.23 -0.04 0.99 0.00 0.00 0.00 175.76 176.42 3bz4 s THR 197 N 1.15 3.52 0.03 0.00 2.01 -0.17 -0.71 115.64 121.46 3bz4 s THR 197 Ca 0.05 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 3bz4 s THR 197 Cb -0.14 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 3bz4 s THR 197 CO 0.03 0.44 -0.00 -2.28 -0.69 0.00 0.00 174.62 172.12 3bz4 s HIS 198 N 1.15 0.33 -0.11 4.92 2.46 -1.26 -1.84 115.29 120.93 3bz4 s HIS 198 Ca 0.02 -0.69 0.26 0.00 0.47 0.00 0.00 55.06 55.12 3bz4 s HIS 198 Cb -0.15 -0.24 1.33 0.00 -0.13 0.00 0.00 32.58 33.40 3bz4 s HIS 198 CO -0.00 -0.29 1.79 1.57 -2.47 0.00 0.00 174.74 175.33 3bz4 h LYS 199 N 3.97 0.00 0.00 2.88 2.10 -1.95 -2.51 116.57 121.05 3bz4 h LYS 199 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 3bz4 h LYS 199 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3bz4 h LYS 199 CO 0.51 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.21 3bz4 n THR 200 N -2.41 0.99 -3.65 0.07 -2.24 -1.26 -4.75 114.28 101.04 3bz4 n THR 200 Ca -0.01 0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.89 3bz4 n THR 200 Cb 0.08 -1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 67.17 3bz4 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3bz4 s SER 201 N -3.40 -0.35 0.00 3.42 0.15 -0.95 -5.00 113.70 107.58 3bz4 s SER 201 Ca 0.06 0.14 0.28 0.00 0.70 0.00 0.00 55.95 57.13 3bz4 s SER 201 Cb 0.09 0.43 1.12 0.00 -1.71 0.00 0.00 66.02 65.95 3bz4 s SER 201 CO 0.29 -0.63 1.82 0.35 1.20 0.00 0.00 173.24 176.27 3bz4 n THR 202 N 0.68 0.00 -3.95 6.45 -2.24 -1.26 -4.46 114.28 109.50 3bz4 n THR 202 Ca -0.19 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.21 3bz4 n THR 202 Cb 0.59 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 3bz4 n THR 202 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3bz4 s SER 203 N -2.80 6.11 0.67 3.42 0.01 -1.26 -5.08 113.70 114.77 3bz4 s SER 203 Ca 0.19 0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.66 3bz4 s SER 203 Cb 0.19 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.46 3bz4 s SER 203 CO 0.54 0.35 1.09 -2.16 0.41 0.00 0.00 173.24 173.48 3bz4 s PRO 204 N -0.69 2.79 -0.21 12.44 0.04 -1.26 -4.81 135.00 143.30 3bz4 s PRO 204 Ca 0.13 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 3bz4 s PRO 204 Cb -0.12 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3bz4 s PRO 204 CO 0.03 -1.24 0.57 0.42 0.04 0.00 0.00 177.00 176.81 3bz4 s ILE 205 N -2.52 5.06 -0.16 0.56 1.01 0.11 -4.88 121.20 120.38 3bz4 s ILE 205 Ca 0.65 1.04 -0.00 0.00 0.00 0.00 0.00 60.65 62.34 3bz4 s ILE 205 Cb -0.19 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3bz4 s ILE 205 CO 0.44 0.13 -0.13 -0.69 0.00 0.00 0.00 174.94 174.69 3bz4 s VAL 206 N 1.89 2.84 -0.02 2.92 1.01 -1.26 -0.77 120.40 127.01 3bz4 s VAL 206 Ca 0.26 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3bz4 s VAL 206 Cb -0.16 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3bz4 s VAL 206 CO 0.10 0.51 -0.19 -0.54 0.00 0.00 0.00 175.10 174.98 3bz4 s LYS 207 N 0.76 1.63 0.07 2.72 -0.14 -0.58 -5.02 119.74 119.18 3bz4 s LYS 207 Ca -0.05 -0.66 -0.08 0.00 -1.36 0.00 0.00 55.97 53.82 3bz4 s LYS 207 Cb -0.15 -1.52 -0.01 0.00 -1.68 0.00 0.00 37.83 34.47 3bz4 s LYS 207 CO 0.01 0.36 0.16 -1.12 -0.76 0.00 0.00 175.35 174.00 3bz4 s SER 208 N -0.31 0.16 0.10 2.83 0.01 -1.26 -1.00 113.70 114.23 3bz4 s SER 208 Ca 0.04 -0.64 -0.06 0.00 1.31 0.00 0.00 55.95 56.60 3bz4 s SER 208 Cb -0.09 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 3bz4 s SER 208 CO 0.00 -0.67 0.13 0.72 0.41 0.00 0.00 173.24 173.83 3bz4 s PHE 209 N -3.59 0.40 -0.15 2.43 -0.12 -0.63 -5.01 117.98 111.32 3bz4 s PHE 209 Ca 0.03 -0.84 -0.05 0.00 -0.05 0.00 0.00 56.93 56.01 3bz4 s PHE 209 Cb 0.04 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3bz4 s PHE 209 CO -0.09 -0.53 0.04 -0.80 -0.05 0.00 0.00 175.22 173.78 3bz4 s ASN 210 N -2.93 5.44 0.00 1.98 0.01 -1.26 -1.47 114.94 116.72 3bz4 s ASN 210 Ca 0.11 0.09 0.15 0.00 -0.71 0.00 0.00 52.86 52.50 3bz4 s ASN 210 Cb 0.06 -1.82 0.87 0.00 0.41 0.00 0.00 41.25 40.77 3bz4 s ASN 210 CO -0.07 0.25 1.28 -1.14 -1.51 0.00 0.00 177.10 175.91