#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 4.15 -0.26 0.53 1.01 -1.26 -5.02 121.20 120.35 3bz4 s ILE 2 Ca 0.00 1.68 -0.11 0.00 0.00 0.00 0.00 60.65 62.22 3bz4 s ILE 2 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 3bz4 s ILE 2 CO 0.00 0.20 0.18 -0.69 0.00 0.00 0.00 174.94 174.64 3bz4 s VAL 3 N 0.44 5.33 -0.25 2.92 1.01 -1.26 -4.80 120.40 123.79 3bz4 s VAL 3 Ca 0.53 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.60 3bz4 s VAL 3 Cb -0.27 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3bz4 s VAL 3 CO 0.31 0.28 0.13 -0.04 0.00 0.00 0.00 175.10 175.79 3bz4 s MET 4 N 1.50 3.87 -0.21 2.72 1.00 -1.26 -1.73 119.30 125.19 3bz4 s MET 4 Ca 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 55.69 55.38 3bz4 s MET 4 Cb -0.15 -3.48 0.01 0.00 0.00 0.00 0.00 34.83 31.21 3bz4 s MET 4 CO 0.08 -0.09 -0.11 0.99 0.00 0.00 0.00 175.02 175.89 3bz4 s THR 5 N 1.45 2.74 0.02 2.05 2.01 0.12 -4.25 115.64 119.78 3bz4 s THR 5 Ca 0.06 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 3bz4 s THR 5 Cb -0.15 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 3bz4 s THR 5 CO 0.06 0.44 0.04 0.00 -0.69 0.00 0.00 174.62 174.48 3bz4 s GLN 6 N 1.37 0.45 0.42 4.92 -2.07 -1.26 -1.22 119.66 122.28 3bz4 s GLN 6 Ca 0.05 -0.65 -0.25 0.00 -1.82 0.00 0.00 55.36 52.69 3bz4 s GLN 6 Cb -0.14 0.17 -0.08 0.00 -1.09 0.00 0.00 33.01 31.87 3bz4 s GLN 6 CO -0.08 -0.10 1.30 0.00 -1.32 0.00 0.00 175.29 175.09 3bz4 s ALA 7 N -1.95 3.20 0.28 2.60 0.00 -1.26 -4.67 121.76 119.96 3bz4 s ALA 7 Ca -0.11 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.13 3bz4 s ALA 7 Cb -0.06 -3.49 0.42 0.00 0.00 0.00 0.00 23.12 20.00 3bz4 s ALA 7 CO -0.02 -0.86 1.67 0.00 0.00 0.00 0.00 175.76 176.55 3bz4 h ALA 8 N 2.51 1.06 -3.93 0.00 0.00 -1.95 -3.31 119.26 113.64 3bz4 h ALA 8 Ca -0.50 -0.44 -0.48 0.00 0.00 0.00 0.00 54.91 53.49 3bz4 h ALA 8 Cb 1.25 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.65 3bz4 h ALA 8 CO 0.62 0.62 -0.81 -0.06 0.00 0.00 0.00 179.25 179.62 3bz4 s PHE 9 N -4.04 1.23 0.79 0.00 0.08 -1.26 -1.17 117.98 113.60 3bz4 s PHE 9 Ca -0.04 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 3bz4 s PHE 9 Cb 0.13 -0.84 0.07 0.00 -0.57 0.00 0.00 43.02 41.81 3bz4 s PHE 9 CO 0.77 -0.10 1.16 -1.54 -0.10 0.00 0.00 175.22 175.42 3bz4 s SER 10 N 0.03 4.65 0.17 1.36 1.04 -0.66 -4.88 113.70 115.41 3bz4 s SER 10 Ca -0.01 0.82 -0.30 0.00 0.48 0.00 0.00 55.95 56.93 3bz4 s SER 10 Cb -0.09 -1.36 -0.08 0.00 0.10 0.00 0.00 66.02 64.59 3bz4 s SER 10 CO 0.01 -1.82 1.30 0.21 0.98 0.00 0.00 173.24 173.92 3bz4 s ASN 11 N -4.55 6.93 0.16 7.02 2.47 -1.26 -4.76 114.94 120.95 3bz4 s ASN 11 Ca 0.61 2.33 -0.34 0.00 0.42 0.00 0.00 52.86 55.88 3bz4 s ASN 11 Cb -0.11 -2.60 -0.14 0.00 -1.45 0.00 0.00 41.25 36.94 3bz4 s ASN 11 CO 0.49 -0.52 1.48 -2.65 -3.72 0.00 0.00 177.10 172.18 3bz4 n PRO 12 N 2.97 1.87 -4.66 0.43 -0.02 -1.26 -4.67 135.00 129.67 3bz4 n PRO 12 Ca 0.07 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 3bz4 n PRO 12 Cb 0.43 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.61 2.49 0.26 -1.45 1.01 0.70 -4.68 120.40 119.35 3bz4 s VAL 13 Ca 0.78 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3bz4 s VAL 13 Cb -0.74 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 3bz4 s VAL 13 CO 0.42 0.53 1.47 -0.89 0.00 0.00 0.00 175.10 176.63 3bz4 s THR 14 N 0.72 2.53 0.23 3.92 2.01 -1.26 -0.03 115.64 123.77 3bz4 s THR 14 Ca -0.08 0.45 -0.31 0.00 0.31 0.00 0.00 61.69 62.06 3bz4 s THR 14 Cb -0.16 -3.29 -0.14 0.00 0.01 0.00 0.00 72.50 68.92 3bz4 s THR 14 CO 0.01 0.07 1.24 0.18 -0.69 0.00 0.00 174.62 175.44 3bz4 n LEU 15 N 2.29 2.38 0.00 4.42 4.77 -1.24 -1.90 117.00 127.73 3bz4 n LEU 15 Ca 0.07 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 3bz4 n LEU 15 Cb 0.40 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 3bz4 n LEU 15 CO 0.61 -0.92 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 3bz4 n GLY 16 N 1.82 1.24 3.53 -0.72 0.00 0.03 -4.93 105.19 106.17 3bz4 n GLY 16 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3bz4 n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bz4 n THR 17 N -2.00 0.00 -3.79 2.61 -2.24 -0.80 -4.18 114.28 103.88 3bz4 n THR 17 Ca 0.00 -2.13 -0.35 0.00 -2.27 0.00 0.00 64.05 59.30 3bz4 n THR 17 Cb 0.00 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 3bz4 n THR 17 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3bz4 s SER 18 N -3.89 6.48 0.12 3.42 0.01 -1.26 -1.10 113.70 117.48 3bz4 s SER 18 Ca 0.19 0.54 0.06 0.00 1.31 0.00 0.00 55.95 58.04 3bz4 s SER 18 Cb -0.01 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 3bz4 s SER 18 CO 0.12 0.30 0.01 0.00 0.41 0.00 0.00 173.24 174.09 3bz4 s ALA 19 N -1.21 3.30 -0.04 1.44 0.00 -0.15 -4.94 121.76 120.15 3bz4 s ALA 19 Ca 0.24 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 3bz4 s ALA 19 Cb -0.13 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 21.86 3bz4 s ALA 19 CO 0.13 0.62 0.00 0.45 0.00 0.00 0.00 175.76 176.96 3bz4 s SER 20 N -2.56 0.91 -0.12 0.00 0.15 -1.26 -1.23 113.70 109.59 3bz4 s SER 20 Ca 0.27 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.89 3bz4 s SER 20 Cb -0.11 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 3bz4 s SER 20 CO 0.19 -0.14 -0.17 -0.63 1.20 0.00 0.00 173.24 173.69 3bz4 s ILE 21 N 1.40 1.67 0.15 6.45 1.01 0.65 -4.85 121.20 127.68 3bz4 s ILE 21 Ca -0.04 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 3bz4 s ILE 21 Cb -0.13 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 3bz4 s ILE 21 CO -0.03 0.48 0.41 -0.44 0.00 0.00 0.00 174.94 175.36 3bz4 s SER 22 N 0.95 6.53 0.04 3.58 0.01 -1.26 -0.23 113.70 123.32 3bz4 s SER 22 Ca -0.06 0.67 -0.04 0.00 1.31 0.00 0.00 55.95 57.82 3bz4 s SER 22 Cb -0.15 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 3bz4 s SER 22 CO -0.02 0.04 0.06 0.00 0.41 0.00 0.00 173.24 173.74 3bz4 s ARG 24 N -2.79 0.57 0.11 0.00 1.70 -0.35 -0.78 118.95 117.42 3bz4 s ARG 24 Ca -0.03 -0.88 0.10 0.00 -0.47 0.00 0.00 55.73 54.45 3bz4 s ARG 24 Cb -0.00 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 3bz4 s ARG 24 CO -0.06 -0.13 -0.25 -1.54 -1.08 0.00 0.00 175.30 172.24 3bz4 s SER 25 N -2.31 3.08 0.13 -2.89 1.04 -0.08 -0.70 113.70 111.96 3bz4 s SER 25 Ca -0.02 -0.71 0.27 0.00 0.48 0.00 0.00 55.95 55.97 3bz4 s SER 25 Cb 0.01 -0.21 0.97 0.00 0.10 0.00 0.00 66.02 66.89 3bz4 s SER 25 CO -0.06 0.16 1.82 -1.54 0.98 0.00 0.00 173.24 174.60 3bz4 n SER 26 N 1.09 0.50 -4.18 7.02 3.41 -0.71 -4.74 113.62 116.01 3bz4 n SER 26 Ca -0.18 0.55 -0.18 0.00 -0.26 0.00 0.00 58.87 58.80 3bz4 n SER 26 Cb 0.53 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 3bz4 n SER 26 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3bz4 s LYS 27 N -3.07 0.86 0.00 4.33 1.02 -1.26 -4.97 119.74 116.64 3bz4 s LYS 27 Ca 0.11 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 55.08 3bz4 s LYS 27 Cb 0.14 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 3bz4 s LYS 27 CO 0.56 0.17 0.00 0.45 -0.92 0.00 0.00 175.35 175.61 3bz4 n SER 27 N 1.06 -1.21 -1.89 2.83 2.88 -1.26 -4.73 113.62 111.30 3bz4 n SER 27 Ca -0.20 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 3bz4 n SER 27 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -3.46 -4.95 2.46 7.94 -1.26 -5.00 117.00 112.73 3bz4 n LEU 27 Ca 0.00 2.30 -0.23 0.00 -1.11 0.00 0.00 56.01 56.97 3bz4 n LEU 27 Cb 0.00 -2.46 -0.00 0.00 0.53 0.00 0.00 43.42 41.48 3bz4 n LEU 27 CO 0.00 -1.36 0.18 -2.28 -1.11 0.00 0.00 177.39 172.82 3bz4 s HIS 27 N -0.30 3.36 0.47 1.96 5.65 -0.65 -4.99 115.29 120.80 3bz4 s HIS 27 Ca 0.00 0.22 0.33 0.00 0.25 0.00 0.00 55.06 55.86 3bz4 s HIS 27 Cb 0.00 -2.02 1.76 0.00 -1.18 0.00 0.00 32.58 31.14 3bz4 s HIS 27 CO 0.00 -0.03 2.17 0.66 -0.65 0.00 0.00 174.74 176.89 3bz4 h SER 27 N 0.68 0.00 0.12 9.88 4.64 -2.02 -1.63 113.55 125.21 3bz4 h SER 27 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3bz4 h SER 27 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3bz4 h SER 27 CO 0.59 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 3bz4 n ASP 28 N -3.48 0.00 0.00 4.97 5.68 -1.26 -4.89 116.55 117.58 3bz4 n ASP 28 Ca -0.02 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 3bz4 n ASP 28 Cb 0.17 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 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 0.67 1.19 3.80 6.12 0.00 -0.61 -5.05 105.19 111.31 3bz4 n GLY 29 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.64 4.85 -0.38 -0.61 1.01 -1.26 -4.86 121.20 117.31 3bz4 s ILE 30 Ca 0.00 1.15 -0.16 0.00 0.00 0.00 0.00 60.65 61.64 3bz4 s ILE 30 Cb 0.00 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.61 3bz4 s ILE 30 CO 0.00 0.52 0.39 -0.89 0.00 0.00 0.00 174.94 174.95 3bz4 s THR 31 N -0.80 5.14 -1.48 2.92 2.01 -1.26 -1.63 115.64 120.53 3bz4 s THR 31 Ca 0.28 -0.19 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 3bz4 s THR 31 Cb -0.18 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.42 3bz4 s THR 31 CO 0.17 -0.25 2.55 -1.22 -0.69 0.00 0.00 174.62 175.18 3bz4 n TYR 32 N 5.45 2.76 -4.68 4.92 4.02 -1.26 -2.41 117.16 125.96 3bz4 n TYR 32 Ca -0.09 -2.97 -0.33 0.00 -0.01 0.00 0.00 57.90 54.50 3bz4 n TYR 32 Cb 0.48 -2.29 -0.13 0.00 -0.02 0.00 0.00 39.34 37.38 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 0.04 2.95 0.04 7.72 1.98 -1.26 -1.55 118.68 128.60 3bz4 s LEU 33 Ca 0.58 -0.18 0.05 0.00 -2.89 0.00 0.00 54.13 51.69 3bz4 s LEU 33 Cb 0.16 -1.66 -0.02 0.00 0.66 0.00 0.00 46.19 45.33 3bz4 s LEU 33 CO -0.07 0.25 -0.15 -0.31 -1.89 0.00 0.00 176.35 174.18 3bz4 s TYR 34 N -0.11 1.34 -0.08 5.38 1.51 -0.00 -0.20 117.35 125.18 3bz4 s TYR 34 Ca 0.00 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 3bz4 s TYR 34 Cb -0.13 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3bz4 s TYR 34 CO 0.03 0.05 -0.22 -1.58 -1.11 0.00 0.00 175.55 172.72 3bz4 s TRP 35 N -0.84 2.56 0.08 2.71 0.52 0.13 -1.57 118.94 122.52 3bz4 s TRP 35 Ca 0.03 -0.75 0.10 0.00 0.02 0.00 0.00 56.10 55.49 3bz4 s TRP 35 Cb -0.08 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 3bz4 s TRP 35 CO 0.01 -0.24 -0.26 0.71 0.02 0.00 0.00 176.95 177.20 3bz4 s TYR 36 N 0.01 2.35 -0.15 -1.98 2.02 -0.07 -0.24 117.35 119.28 3bz4 s TYR 36 Ca -0.08 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 3bz4 s TYR 36 Cb -0.15 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 3bz4 s TYR 36 CO 0.05 0.22 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.94 3bz4 s LEU 37 N -1.58 2.55 -0.41 -1.29 2.96 0.16 -0.21 118.68 120.86 3bz4 s LEU 37 Ca 0.13 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3bz4 s LEU 37 Cb -0.10 -1.58 0.09 0.00 0.50 0.00 0.00 46.19 45.10 3bz4 s LEU 37 CO 0.04 0.10 0.23 -1.58 -1.32 0.00 0.00 176.35 173.83 3bz4 s GLN 38 N 0.71 2.39 0.60 1.98 0.74 0.21 -0.64 119.66 125.64 3bz4 s GLN 38 Ca -0.07 -1.60 -0.15 0.00 0.05 0.00 0.00 55.36 53.59 3bz4 s GLN 38 Cb -0.15 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 3bz4 s GLN 38 CO 0.02 -1.00 1.05 0.15 -0.55 0.00 0.00 175.29 174.96 3bz4 s LYS 39 N 1.31 3.33 0.13 1.67 1.02 -1.26 -1.51 119.74 124.43 3bz4 s LYS 39 Ca 0.04 1.18 -0.35 0.00 0.02 0.00 0.00 55.97 56.86 3bz4 s LYS 39 Cb -0.23 -2.04 -0.15 0.00 -0.52 0.00 0.00 37.83 34.90 3bz4 s LYS 39 CO -0.01 -0.80 1.51 -2.30 -0.92 0.00 0.00 175.35 172.84 3bz4 n PRO 40 N -2.07 1.84 -0.48 -1.68 -0.02 -1.26 -1.40 135.00 129.93 3bz4 n PRO 40 Ca 0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3bz4 n PRO 40 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.18 1.90 3.80 -1.23 0.00 -1.26 -5.02 105.19 106.55 3bz4 n GLY 41 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.05 2.32 0.63 1.61 -0.21 -0.49 -5.14 119.66 118.33 3bz4 s GLN 42 Ca 0.00 -1.77 -0.10 0.00 0.02 0.00 0.00 55.36 53.51 3bz4 s GLN 42 Cb 0.00 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 3bz4 s GLN 42 CO 0.00 -0.18 1.02 -1.12 -2.12 0.00 0.00 175.29 172.88 3bz4 s SER 43 N -4.00 5.98 0.67 5.90 0.01 -1.26 -4.67 113.70 116.32 3bz4 s SER 43 Ca 0.42 1.25 -0.16 0.00 1.31 0.00 0.00 55.95 58.77 3bz4 s SER 43 Cb 0.01 -2.25 0.01 0.00 0.21 0.00 0.00 66.02 63.99 3bz4 s SER 43 CO 0.24 -0.98 1.20 -2.84 0.41 0.00 0.00 173.24 171.27 3bz4 s PRO 44 N -5.18 2.51 0.04 12.44 0.02 -1.26 -4.45 135.00 139.13 3bz4 s PRO 44 Ca 0.55 1.75 0.01 0.00 0.02 0.00 0.00 61.00 63.34 3bz4 s PRO 44 Cb -0.11 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 3bz4 s PRO 44 CO 0.52 -1.55 -0.06 -3.38 -0.33 0.00 0.00 177.00 172.20 3bz4 s HIS 45 N -1.87 0.55 0.08 6.54 -3.43 0.19 -4.95 115.29 112.40 3bz4 s HIS 45 Ca 0.75 -0.54 -0.31 0.00 -0.80 0.00 0.00 55.06 54.16 3bz4 s HIS 45 Cb -0.29 -0.34 -0.08 0.00 -1.43 0.00 0.00 32.58 30.44 3bz4 s HIS 45 CO 0.41 -0.12 1.47 -1.17 -2.00 0.00 0.00 174.74 173.32 3bz4 s LEU 46 N -1.63 4.35 -0.18 5.38 2.96 -1.26 -0.66 118.68 127.63 3bz4 s LEU 46 Ca -0.11 2.33 -0.15 0.00 -0.22 0.00 0.00 54.13 55.99 3bz4 s LEU 46 Cb -0.09 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 3bz4 s LEU 46 CO -0.00 -0.74 -0.31 0.18 -1.32 0.00 0.00 176.35 174.15 3bz4 n LEU 47 N 4.73 1.81 -4.02 -0.68 4.77 0.66 -4.73 117.00 119.54 3bz4 n LEU 47 Ca 0.13 0.31 -0.19 0.00 -0.03 0.00 0.00 56.01 56.23 3bz4 n LEU 47 Cb 0.42 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.66 3bz4 n LEU 47 CO 0.60 -0.04 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.55 3bz4 s ILE 48 N -2.69 0.73 0.19 -0.08 -1.09 -0.92 -1.01 121.20 116.32 3bz4 s ILE 48 Ca -0.29 -0.38 0.08 0.00 -2.23 0.00 0.00 60.65 57.83 3bz4 s ILE 48 Cb 0.07 -0.61 -0.04 0.00 -1.58 0.00 0.00 42.46 40.29 3bz4 s ILE 48 CO 0.40 0.21 -0.17 -0.72 -1.23 0.00 0.00 174.94 173.43 3bz4 s TYR 49 N -0.16 1.79 -1.46 3.97 1.13 0.35 -0.69 117.35 122.28 3bz4 s TYR 49 Ca 0.03 -0.50 -0.05 0.00 -1.41 0.00 0.00 57.07 55.14 3bz4 s TYR 49 Cb -0.04 -0.86 0.04 0.00 -1.10 0.00 0.00 41.96 39.99 3bz4 s TYR 49 CO -0.00 0.36 0.59 0.72 -2.51 0.00 0.00 175.55 174.71 3bz4 n HIS 50 N -0.03 -1.78 0.00 -3.49 8.25 -0.99 -1.01 115.22 116.17 3bz4 n HIS 50 Ca -0.11 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 3bz4 n HIS 50 Cb 0.59 -3.74 0.00 0.00 1.12 0.00 0.00 29.99 27.96 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 -4.41 0.00 0.00 2.41 7.94 0.72 -4.15 117.00 119.51 3bz4 n LEU 51 Ca -0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 3bz4 n LEU 51 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 3bz4 n LEU 51 CO 0.76 0.00 0.13 -1.20 -1.11 0.00 0.00 177.39 175.97 3bz4 n SER 52 N 1.67 0.33 -4.71 1.96 7.64 -1.14 -4.21 113.62 115.16 3bz4 n SER 52 Ca 0.00 -1.07 -0.37 0.00 1.01 0.00 0.00 58.87 58.45 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 -0.07 6.42 0.16 6.43 0.01 -0.18 -4.70 114.94 123.01 3bz4 s ASN 53 Ca 0.00 0.49 -0.27 0.00 -0.71 0.00 0.00 52.86 52.36 3bz4 s ASN 53 Cb 0.00 -2.19 -0.08 0.00 0.41 0.00 0.00 41.25 39.40 3bz4 s ASN 53 CO 0.00 0.07 0.85 -0.76 -1.51 0.00 0.00 177.10 175.75 3bz4 s LEU 54 N 0.64 4.58 0.70 0.60 1.02 -1.26 -0.50 118.68 124.47 3bz4 s LEU 54 Ca 0.16 1.73 -0.12 0.00 0.02 0.00 0.00 54.13 55.93 3bz4 s LEU 54 Cb -0.13 -3.43 0.02 0.00 0.02 0.00 0.00 46.19 42.67 3bz4 s LEU 54 CO 0.04 0.13 1.08 0.00 0.02 0.00 0.00 176.35 177.62 3bz4 s ALA 55 N -0.85 2.51 -0.06 4.21 0.00 -0.18 -4.89 121.76 122.50 3bz4 s ALA 55 Ca 0.39 0.26 -0.35 0.00 0.00 0.00 0.00 51.96 52.26 3bz4 s ALA 55 Cb -0.24 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 19.51 3bz4 s ALA 55 CO 0.28 -1.36 1.75 0.45 0.00 0.00 0.00 175.76 176.88 3bz4 n SER 56 N -3.01 3.06 0.00 0.00 2.88 -1.26 -1.79 113.62 113.50 3bz4 n SER 56 Ca 0.09 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3bz4 n SER 56 Cb 0.53 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 3bz4 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bz4 n GLY 57 N 4.02 1.10 3.71 0.46 0.00 -1.26 -5.04 105.19 108.18 3bz4 n GLY 57 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.78 4.39 0.56 1.61 1.01 -0.74 -5.00 120.40 119.46 3bz4 s VAL 58 Ca 0.00 1.72 -0.21 0.00 0.00 0.00 0.00 61.98 63.49 3bz4 s VAL 58 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3bz4 s VAL 58 CO 0.00 0.13 1.29 -2.84 0.00 0.00 0.00 175.10 173.68 3bz4 s PRO 59 N 1.03 3.10 0.00 2.72 0.02 -1.26 -4.89 135.00 135.72 3bz4 s PRO 59 Ca 0.56 2.05 0.14 0.00 0.02 0.00 0.00 61.00 63.77 3bz4 s PRO 59 Cb -0.26 -2.14 0.84 0.00 0.02 0.00 0.00 34.50 32.96 3bz4 s PRO 59 CO 0.29 -1.17 1.36 -0.40 -0.33 0.00 0.00 177.00 176.75 3bz4 n ASP 60 N -1.21 0.00 0.27 2.53 5.68 -1.26 -2.06 116.55 120.50 3bz4 n ASP 60 Ca 0.11 -1.03 0.13 0.00 -0.50 0.00 0.00 54.79 53.51 3bz4 n ASP 60 Cb 0.47 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.23 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 0.00 0.00 -6.02 0.11 3.08 -1.90 -3.43 114.38 106.22 3bz4 h ARG 61 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3bz4 h ARG 61 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3bz4 h ARG 61 CO 0.00 0.09 -0.03 -0.06 -1.07 0.00 0.00 179.97 178.90 3bz4 s PHE 62 N -4.31 3.65 0.09 3.04 0.40 -0.87 -0.94 117.98 119.03 3bz4 s PHE 62 Ca -0.03 1.16 -0.15 0.00 -0.60 0.00 0.00 56.93 57.30 3bz4 s PHE 62 Cb 0.14 -2.61 0.03 0.00 0.51 0.00 0.00 43.02 41.08 3bz4 s PHE 62 CO 0.57 0.30 0.37 -1.54 0.70 0.00 0.00 175.22 175.62 3bz4 s SER 63 N 0.02 -0.19 -0.07 1.36 1.04 -0.22 -5.00 113.70 110.63 3bz4 s SER 63 Ca 0.31 -0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.37 3bz4 s SER 63 Cb -0.18 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.40 3bz4 s SER 63 CO 0.16 -0.75 0.29 -0.55 0.98 0.00 0.00 173.24 173.37 3bz4 s SER 64 N -2.49 -0.25 0.16 7.02 0.15 -1.26 0.01 113.70 117.05 3bz4 s SER 64 Ca -0.00 0.37 -0.05 0.00 0.70 0.00 0.00 55.95 56.97 3bz4 s SER 64 Cb 0.01 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 3bz4 s SER 64 CO -0.08 -0.24 0.18 -0.94 1.20 0.00 0.00 173.24 173.35 3bz4 s SER 65 N -0.47 0.16 0.00 5.45 1.04 -0.74 -4.37 113.70 114.77 3bz4 s SER 65 Ca -0.06 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.28 3bz4 s SER 65 Cb -0.04 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3bz4 s SER 65 CO 0.02 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3bz4 n GLY 66 N -0.18 1.67 0.00 7.32 0.00 -1.26 -1.25 105.19 111.48 3bz4 n GLY 66 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 0.20 1.61 3.41 -0.12 -4.97 113.62 113.76 3bz4 n SER 67 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3bz4 n SER 67 Cb 0.00 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.56 -1.30 0.00 0.00 0.00 176.54 174.68 3bz4 n THR 69 N -2.73 0.00 -4.42 4.70 -2.24 -1.26 -4.19 114.28 104.14 3bz4 n THR 69 Ca 0.02 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.53 3bz4 n THR 69 Cb 0.33 0.43 -0.16 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.21 1.41 0.05 3.42 1.01 -1.26 -0.90 116.67 119.18 3bz4 s ASP 70 Ca 0.00 -0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.04 3bz4 s ASP 70 Cb 0.00 -0.63 -0.03 0.00 1.01 0.00 0.00 42.92 43.27 3bz4 s ASP 70 CO 0.00 0.01 -0.05 -0.36 0.21 0.00 0.00 175.17 174.98 3bz4 s PHE 71 N 0.67 0.58 -0.10 4.23 0.08 0.04 -0.94 117.98 122.54 3bz4 s PHE 71 Ca -0.12 -0.75 -0.04 0.00 0.12 0.00 0.00 56.93 56.14 3bz4 s PHE 71 Cb -0.14 -0.37 0.05 0.00 -0.57 0.00 0.00 43.02 41.99 3bz4 s PHE 71 CO 0.02 -0.20 0.18 0.99 -0.10 0.00 0.00 175.22 176.11 3bz4 s THR 72 N -2.57 -0.28 -0.13 0.64 2.01 -0.38 -1.58 115.64 113.36 3bz4 s THR 72 Ca -0.02 0.29 -0.19 0.00 0.31 0.00 0.00 61.69 62.07 3bz4 s THR 72 Cb -0.02 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3bz4 s THR 72 CO -0.04 0.10 0.53 -0.22 -0.69 0.00 0.00 174.62 174.30 3bz4 s LEU 73 N 2.31 4.25 -0.05 4.42 2.96 0.68 -1.79 118.68 131.46 3bz4 s LEU 73 Ca 0.03 0.86 0.05 0.00 -0.22 0.00 0.00 54.13 54.85 3bz4 s LEU 73 Cb -0.12 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 3bz4 s LEU 73 CO -0.07 -0.06 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.11 3bz4 s ARG 74 N 0.89 2.50 -0.26 1.98 3.52 0.10 -0.26 118.95 127.42 3bz4 s ARG 74 Ca 0.28 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 3bz4 s ARG 74 Cb -0.16 -2.28 0.07 0.00 -1.56 0.00 0.00 34.95 31.02 3bz4 s ARG 74 CO 0.11 0.52 -0.04 0.42 -0.81 0.00 0.00 175.30 175.50 3bz4 s ILE 75 N -0.49 1.79 0.47 4.11 1.01 -0.37 -1.06 121.20 126.67 3bz4 s ILE 75 Ca 0.06 -1.52 -0.15 0.00 0.00 0.00 0.00 60.65 59.04 3bz4 s ILE 75 Cb -0.12 -2.06 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 3bz4 s ILE 75 CO 0.01 -0.19 0.91 -0.94 0.00 0.00 0.00 174.94 174.73 3bz4 s SER 76 N 1.25 6.60 -1.21 3.58 1.04 -0.12 -0.98 113.70 123.85 3bz4 s SER 76 Ca -0.03 1.42 -0.26 0.00 0.48 0.00 0.00 55.95 57.56 3bz4 s SER 76 Cb -0.19 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.51 3bz4 s SER 76 CO -0.07 -0.51 0.68 0.54 0.98 0.00 0.00 173.24 174.86 3bz4 n ARG 77 N -1.44 -0.83 -1.67 4.02 1.74 -1.20 -4.78 116.66 112.50 3bz4 n ARG 77 Ca 0.05 0.24 -0.44 0.00 -0.77 0.00 0.00 57.85 56.93 3bz4 n ARG 77 Cb 0.54 -3.31 -0.02 0.00 -1.02 0.00 0.00 32.46 28.65 3bz4 n ARG 77 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3bz4 n VAL 78 N -4.66 1.41 -4.21 1.55 0.31 -0.26 -4.60 118.33 107.88 3bz4 n VAL 78 Ca -0.12 -0.35 -0.23 0.00 -0.01 0.00 0.00 64.34 63.63 3bz4 n VAL 78 Cb 0.59 -1.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.99 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 -1.03 2.43 0.44 5.55 2.02 -1.26 -0.79 118.70 126.07 3bz4 s GLU 79 Ca 0.63 -1.38 0.12 0.00 0.02 0.00 0.00 54.97 54.36 3bz4 s GLU 79 Cb -0.63 -2.24 0.99 0.00 0.10 0.00 0.00 34.13 32.36 3bz4 s GLU 79 CO 0.55 0.30 2.03 0.00 0.02 0.00 0.00 175.26 178.16 3bz4 h ALA 80 N 1.72 1.73 0.00 5.21 0.00 -1.89 -1.27 119.26 124.76 3bz4 h ALA 80 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3bz4 h ALA 80 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3bz4 h ALA 80 CO 0.61 0.20 0.00 -0.85 0.00 0.00 0.00 179.25 179.22 3bz4 n GLU 81 N -4.39 0.28 0.04 0.00 0.28 -1.10 -2.85 120.64 112.89 3bz4 n GLU 81 Ca -0.01 0.10 0.13 0.00 -0.16 0.00 0.00 57.16 57.21 3bz4 n GLU 81 Cb 0.18 -1.50 0.53 0.00 1.43 0.00 0.00 31.44 32.08 3bz4 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3bz4 n ASP 82 N -1.29 0.27 -4.76 -1.84 8.00 -0.48 -4.89 116.55 111.57 3bz4 n ASP 82 Ca 0.09 0.53 -0.38 0.00 0.71 0.00 0.00 54.79 55.75 3bz4 n ASP 82 Cb 0.16 -0.60 0.03 0.00 -0.02 0.00 0.00 41.12 40.69 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 -3.04 2.46 -5.00 2.53 -7.23 -1.13 -4.88 120.40 104.10 3bz4 s VAL 83 Ca 0.12 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 3bz4 s VAL 83 Cb 0.16 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.94 3bz4 s VAL 83 CO 0.52 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 3bz4 n GLY 84 N 0.62 -0.72 3.40 2.32 0.00 -1.26 -4.61 105.19 104.94 3bz4 n GLY 84 Ca 0.10 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.74 3.38 -0.23 -0.61 1.01 -0.57 -1.49 121.20 119.94 3bz4 s ILE 85 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 3bz4 s ILE 85 Cb 0.00 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3bz4 s ILE 85 CO 0.00 0.49 0.08 -0.31 0.00 0.00 0.00 174.94 175.20 3bz4 s TYR 86 N 0.60 3.14 -0.08 3.97 1.51 0.21 -0.62 117.35 126.08 3bz4 s TYR 86 Ca -0.05 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3bz4 s TYR 86 Cb -0.15 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.47 3bz4 s TYR 86 CO 0.03 -0.21 -0.14 0.71 -1.11 0.00 0.00 175.55 174.84 3bz4 s TYR 87 N 1.31 2.75 0.24 2.71 2.02 0.70 -0.17 117.35 126.91 3bz4 s TYR 87 Ca 0.05 -0.31 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3bz4 s TYR 87 Cb -0.15 -1.70 -0.06 0.00 -0.40 0.00 0.00 41.96 39.66 3bz4 s TYR 87 CO 0.04 0.06 0.50 0.00 -1.57 0.00 0.00 175.55 174.58 3bz4 s ALA 89 N -1.93 -0.79 0.26 0.00 0.00 -0.61 0.09 121.76 118.79 3bz4 s ALA 89 Ca 0.43 0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.56 3bz4 s ALA 89 Cb -0.11 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3bz4 s ALA 89 CO 0.27 -0.43 0.17 -3.38 0.00 0.00 0.00 175.76 172.39 3bz4 s HIS 90 N -2.57 3.01 -0.41 0.00 -3.43 -1.21 -0.82 115.29 109.86 3bz4 s HIS 90 Ca -0.05 -0.15 0.11 0.00 -0.80 0.00 0.00 55.06 54.17 3bz4 s HIS 90 Cb -0.01 -1.41 0.35 0.00 -1.43 0.00 0.00 32.58 30.08 3bz4 s HIS 90 CO -0.03 0.50 0.78 -1.71 -2.00 0.00 0.00 174.74 172.27 3bz4 n ASN 91 N -1.15 1.53 -0.00 7.38 5.15 -0.59 -4.64 115.26 122.94 3bz4 n ASN 91 Ca -0.07 -3.13 0.01 0.00 -0.60 0.00 0.00 54.58 50.79 3bz4 n ASN 91 Cb 0.58 -0.61 -0.01 0.00 -0.53 0.00 0.00 39.78 39.21 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 0.17 0.00 -3.81 3.44 0.24 -1.26 -4.88 118.33 112.23 3bz4 n VAL 92 Ca 0.26 -0.38 -0.05 0.00 -2.04 0.00 0.00 64.34 62.14 3bz4 n VAL 92 Cb 0.61 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 -1.38 1.48 -0.02 7.34 -1.05 -1.26 -5.15 118.70 118.66 3bz4 s GLU 93 Ca 0.01 -0.89 -0.03 0.00 -0.15 0.00 0.00 54.97 53.91 3bz4 s GLU 93 Cb 0.02 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3bz4 s GLU 93 CO 0.09 -0.69 0.15 -0.51 0.95 0.00 0.00 175.26 175.26 3bz4 s LEU 94 N -3.10 4.26 0.58 1.83 1.43 -1.26 -3.93 118.68 118.49 3bz4 s LEU 94 Ca 0.15 0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.39 3bz4 s LEU 94 Cb -0.03 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3bz4 s LEU 94 CO 0.05 0.28 1.12 -2.16 0.23 0.00 0.00 176.35 175.87 3bz4 s PRO 95 N -1.77 3.21 0.09 1.29 0.04 -1.26 -5.00 135.00 131.60 3bz4 s PRO 95 Ca 0.25 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 3bz4 s PRO 95 Cb -0.12 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3bz4 s PRO 95 CO 0.16 -0.94 1.08 1.03 0.04 0.00 0.00 177.00 178.36 3bz4 s ARG 96 N -3.54 4.55 0.12 4.56 0.52 -1.25 -4.76 118.95 119.15 3bz4 s ARG 96 Ca 0.71 1.62 0.04 0.00 -0.52 0.00 0.00 55.73 57.58 3bz4 s ARG 96 Cb -0.22 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 3bz4 s ARG 96 CO 0.31 -0.04 -0.11 0.95 0.02 0.00 0.00 175.30 176.44 3bz4 s THR 97 N 0.50 1.08 0.08 0.02 -4.23 -1.26 -5.09 115.64 106.74 3bz4 s THR 97 Ca 0.52 -1.81 0.07 0.00 -1.18 0.00 0.00 61.69 59.29 3bz4 s THR 97 Cb -0.26 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 3bz4 s THR 97 CO 0.31 -0.61 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.24 3bz4 s PHE 98 N -2.75 1.52 1.04 3.99 0.40 -1.26 -3.32 117.98 117.61 3bz4 s PHE 98 Ca 0.10 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.89 3bz4 s PHE 98 Cb -0.01 -0.85 0.22 0.00 0.51 0.00 0.00 43.02 42.88 3bz4 s PHE 98 CO 0.01 0.13 1.08 0.20 0.70 0.00 0.00 175.22 177.33 3bz4 s GLY 99 N -1.72 1.60 0.00 4.36 0.00 0.11 -4.58 107.32 107.09 3bz4 s GLY 99 Ca 0.03 0.12 0.19 0.00 0.00 0.00 0.00 44.72 45.06 3bz4 s GLY 99 CO 0.03 0.71 1.60 0.61 0.00 0.00 0.00 173.10 176.05 3bz4 n GLY 100 N 0.31 -1.11 0.00 0.20 0.00 -1.26 -4.76 105.19 98.57 3bz4 n GLY 100 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.42 -0.27 3.35 -0.02 0.00 -1.26 -4.99 105.19 102.42 3bz4 n GLY 101 Ca 0.05 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.88 3.40 -0.20 2.61 2.01 0.76 -4.15 115.64 119.20 3bz4 s THR 102 Ca 0.00 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 3bz4 s THR 102 Cb 0.00 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.99 3bz4 s THR 102 CO 0.00 0.45 0.96 -0.75 -0.69 0.00 0.00 174.62 174.59 3bz4 s LYS 103 N 1.11 4.28 -0.17 4.92 2.20 -0.32 -0.62 119.74 131.14 3bz4 s LYS 103 Ca 0.01 1.23 -0.29 0.00 -0.36 0.00 0.00 55.97 56.56 3bz4 s LYS 103 Cb -0.15 -3.61 -0.00 0.00 -1.51 0.00 0.00 37.83 32.56 3bz4 s LYS 103 CO -0.01 -0.50 1.02 -1.17 -0.36 0.00 0.00 175.35 174.33 3bz4 s LEU 104 N 2.74 4.17 -0.12 5.43 2.96 -0.55 -1.65 118.68 131.66 3bz4 s LEU 104 Ca 0.42 1.45 -0.01 0.00 -0.22 0.00 0.00 54.13 55.77 3bz4 s LEU 104 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3bz4 s LEU 104 CO 0.09 -0.56 -0.07 -0.70 -1.32 0.00 0.00 176.35 173.80 3bz4 s GLU 105 N 2.60 3.33 0.02 1.98 2.12 -1.26 -4.11 118.70 123.38 3bz4 s GLU 105 Ca 0.46 -0.57 -0.18 0.00 0.36 0.00 0.00 54.97 55.04 3bz4 s GLU 105 Cb -0.17 -2.75 -0.06 0.00 0.26 0.00 0.00 34.13 31.42 3bz4 s GLU 105 CO 0.12 0.36 0.53 0.42 -0.54 0.00 0.00 175.26 176.15 3bz4 s ILE 106 N 0.01 4.90 -0.15 -3.70 -1.09 -1.26 -0.22 121.20 119.69 3bz4 s ILE 106 Ca -0.01 1.10 -0.14 0.00 -2.23 0.00 0.00 60.65 59.37 3bz4 s ILE 106 Cb -0.14 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 3bz4 s ILE 106 CO 0.03 0.50 0.32 -0.75 -1.23 0.00 0.00 174.94 173.81 3bz4 s LYS 107 N -0.68 4.26 0.29 2.79 2.20 0.96 -4.69 119.74 124.87 3bz4 s LYS 107 Ca 0.28 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 56.09 3bz4 s LYS 107 Cb -0.18 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 3bz4 s LYS 107 CO 0.16 0.23 0.27 2.89 -0.36 0.00 0.00 175.35 178.54 3bz4 n ARG 108 N 3.58 0.39 -2.07 4.03 1.85 -1.26 -3.60 116.66 119.58 3bz4 n ARG 108 Ca -0.11 -2.82 -0.41 0.00 -1.00 0.00 0.00 57.85 53.51 3bz4 n ARG 108 Cb 0.52 2.36 -0.02 0.00 -1.05 0.00 0.00 32.46 34.27 3bz4 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bz4 s ALA 109 N -3.10 3.53 0.36 2.89 0.00 -1.26 -4.96 121.76 119.22 3bz4 s ALA 109 Ca 0.33 1.30 -0.25 0.00 0.00 0.00 0.00 51.96 53.35 3bz4 s ALA 109 Cb 0.01 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 3bz4 s ALA 109 CO 0.24 -0.70 0.77 -0.25 0.00 0.00 0.00 175.76 175.81 3bz4 n ASP 110 N 1.03 0.12 -3.69 0.00 9.92 -1.26 -4.75 116.55 117.93 3bz4 n ASP 110 Ca 0.01 1.03 -0.11 0.00 -0.53 0.00 0.00 54.79 55.20 3bz4 n ASP 110 Cb 0.41 -1.19 -0.10 0.00 -0.64 0.00 0.00 41.12 39.60 3bz4 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bz4 s ALA 111 N -1.27 -1.26 0.51 2.24 0.00 0.70 -4.89 121.76 117.79 3bz4 s ALA 111 Ca 0.62 1.67 -0.17 0.00 0.00 0.00 0.00 51.96 54.08 3bz4 s ALA 111 Cb -0.65 -1.00 -0.08 0.00 0.00 0.00 0.00 23.12 21.39 3bz4 s ALA 111 CO 0.58 -0.28 0.99 0.00 0.00 0.00 0.00 175.76 177.05 3bz4 s ALA 112 N 1.15 3.05 0.44 0.00 0.00 -1.26 -0.70 121.76 124.44 3bz4 s ALA 112 Ca -0.07 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.87 3bz4 s ALA 112 Cb -0.06 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 3bz4 s ALA 112 CO -0.11 -0.22 1.09 -1.25 0.00 0.00 0.00 175.76 175.28 3bz4 s PRO 113 N -3.99 3.91 -0.44 0.00 0.04 -1.26 -4.51 135.00 128.74 3bz4 s PRO 113 Ca 0.59 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 3bz4 s PRO 113 Cb -0.10 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.08 3bz4 s PRO 113 CO 0.30 -0.38 0.71 0.99 0.04 0.00 0.00 177.00 178.65 3bz4 s THR 114 N -1.68 4.75 -0.12 1.26 2.01 -0.31 -4.87 115.64 116.69 3bz4 s THR 114 Ca 0.62 0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.74 3bz4 s THR 114 Cb -0.23 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 67.97 3bz4 s THR 114 CO 0.29 -0.65 0.31 -0.69 -0.69 0.00 0.00 174.62 173.19 3bz4 s VAL 115 N 3.03 5.26 -0.01 3.82 1.01 -1.26 -1.40 120.40 130.85 3bz4 s VAL 115 Ca 0.26 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.87 3bz4 s VAL 115 Cb -0.13 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3bz4 s VAL 115 CO 0.21 0.46 -0.11 -0.44 0.00 0.00 0.00 175.10 175.21 3bz4 s SER 116 N -0.05 1.34 0.01 3.32 0.01 -0.11 -4.99 113.70 113.22 3bz4 s SER 116 Ca 0.19 -0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.31 3bz4 s SER 116 Cb -0.14 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 3bz4 s SER 116 CO 0.06 0.13 -0.20 -0.51 0.41 0.00 0.00 173.24 173.13 3bz4 s ILE 117 N -0.23 2.57 -0.07 1.44 2.07 -1.26 -0.41 121.20 125.31 3bz4 s ILE 117 Ca 0.04 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.17 3bz4 s ILE 117 Cb -0.05 -2.01 0.02 0.00 0.13 0.00 0.00 42.46 40.55 3bz4 s ILE 117 CO -0.00 0.45 -0.06 -0.36 -1.91 0.00 0.00 174.94 173.06 3bz4 s PHE 118 N -0.79 1.08 0.83 3.50 0.08 0.74 -5.00 117.98 118.41 3bz4 s PHE 118 Ca 0.12 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.64 3bz4 s PHE 118 Cb -0.10 -0.93 0.09 0.00 -0.57 0.00 0.00 43.02 41.50 3bz4 s PHE 118 CO 0.02 -0.33 1.12 -1.25 -0.10 0.00 0.00 175.22 174.68 3bz4 s PRO 119 N 1.32 1.85 0.47 0.24 0.04 -1.26 -1.78 135.00 135.88 3bz4 s PRO 119 Ca -0.04 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.21 3bz4 s PRO 119 Cb -0.14 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3bz4 s PRO 119 CO -0.03 -1.74 1.23 -0.35 0.04 0.00 0.00 177.00 176.15 3bz4 n PRO 120 N -3.48 1.72 -1.45 0.56 -0.04 -1.17 -4.85 135.00 126.29 3bz4 n PRO 120 Ca 0.07 0.62 -0.32 0.00 -0.04 0.00 0.00 63.50 63.83 3bz4 n PRO 120 Cb 0.58 -2.37 0.07 0.00 -0.04 0.00 0.00 33.50 31.74 3bz4 n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3bz4 s SER 121 N -0.70 4.72 0.28 3.54 1.04 -1.26 -4.93 113.70 116.39 3bz4 s SER 121 Ca 0.65 1.90 -0.00 0.00 0.48 0.00 0.00 55.95 58.98 3bz4 s SER 121 Cb -0.48 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.49 3bz4 s SER 121 CO 0.55 -1.89 1.77 0.77 0.98 0.00 0.00 173.24 175.42 3bz4 h SER 122 N -0.66 0.66 0.03 7.02 4.64 -1.99 -2.18 113.55 121.08 3bz4 h SER 122 Ca -0.45 -0.17 0.03 0.00 -0.47 0.00 0.00 61.79 60.73 3bz4 h SER 122 Cb 1.24 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 3bz4 h SER 122 CO 0.52 0.77 -0.38 -0.33 -0.87 0.00 0.00 176.83 176.55 3bz4 h GLU 123 N 0.64 -0.53 -0.49 4.77 3.07 -1.99 -0.22 114.58 119.81 3bz4 h GLU 123 Ca 0.12 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.04 3bz4 h GLU 123 Cb 0.48 0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.48 3bz4 h GLU 123 CO 0.03 -0.36 0.28 0.37 -1.40 0.00 0.00 179.01 177.93 3bz4 h GLN 124 N -0.55 0.54 -0.82 2.33 4.15 -1.84 -2.50 115.11 116.42 3bz4 h GLN 124 Ca 0.05 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 3bz4 h GLN 124 Cb 0.62 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 3bz4 h GLN 124 CO -0.27 0.36 0.40 -0.07 -1.93 0.00 0.00 178.83 177.32 3bz4 h LEU 125 N 0.56 1.06 -1.62 -2.39 3.38 -1.05 -1.22 115.31 114.03 3bz4 h LEU 125 Ca 0.20 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3bz4 h LEU 125 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3bz4 h LEU 125 CO -0.11 0.89 0.38 0.74 0.09 0.00 0.00 178.44 180.43 3bz4 h THR 126 N 1.16 0.94 0.00 0.22 2.02 -0.66 -1.45 112.91 115.14 3bz4 h THR 126 Ca 0.28 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3bz4 h THR 126 Cb 0.10 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3bz4 h THR 126 CO -0.04 0.08 -0.03 -1.54 0.37 0.00 0.00 175.52 174.36 3bz4 n SER 127 N -4.47 0.14 0.00 4.18 3.41 -0.51 -4.90 113.62 111.46 3bz4 n SER 127 Ca 0.09 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3bz4 n SER 127 Cb 0.31 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 1.47 1.00 3.52 5.00 0.00 -0.54 -5.07 105.19 110.57 3bz4 n GLY 128 Ca 0.07 0.00 -0.25 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 -2.00 2.16 -0.29 -0.02 0.00 -0.91 -1.77 107.32 104.48 3bz4 s GLY 129 Ca 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 44.72 42.66 3bz4 s GLY 129 CO 0.00 -1.98 0.42 0.00 0.00 0.00 0.00 173.10 171.54 3bz4 s ALA 130 N -2.80 -1.28 -0.14 3.20 0.00 0.23 -3.13 121.76 117.84 3bz4 s ALA 130 Ca 0.33 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 3bz4 s ALA 130 Cb 0.05 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 3bz4 s ALA 130 CO 0.16 -1.77 0.07 -1.12 0.00 0.00 0.00 175.76 173.10 3bz4 s SER 131 N 2.55 5.75 -0.14 0.00 0.01 -1.26 0.11 113.70 120.72 3bz4 s SER 131 Ca 0.10 0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.53 3bz4 s SER 131 Cb -0.12 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 3bz4 s SER 131 CO -0.30 0.29 -0.04 -0.69 0.41 0.00 0.00 173.24 172.90 3bz4 s VAL 132 N -0.30 3.86 -0.05 3.43 1.01 0.21 -3.03 120.40 125.53 3bz4 s VAL 132 Ca 0.09 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3bz4 s VAL 132 Cb -0.12 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3bz4 s VAL 132 CO 0.02 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.77 3bz4 s VAL 133 N 0.11 2.82 -0.18 2.92 1.01 -0.73 -0.86 120.40 125.49 3bz4 s VAL 133 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3bz4 s VAL 133 Cb -0.14 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.19 3bz4 s VAL 133 CO 0.03 0.58 -0.11 0.00 0.00 0.00 0.00 175.10 175.60 3bz4 s PHE 135 N 1.46 3.50 -0.51 0.00 0.08 0.45 -0.86 117.98 122.10 3bz4 s PHE 135 Ca 0.01 0.85 -0.02 0.00 0.12 0.00 0.00 56.93 57.89 3bz4 s PHE 135 Cb -0.15 -2.53 0.13 0.00 -0.57 0.00 0.00 43.02 39.90 3bz4 s PHE 135 CO -0.09 0.16 0.31 -0.51 -0.10 0.00 0.00 175.22 175.00 3bz4 s LEU 136 N 0.65 5.19 0.01 -0.37 1.02 0.71 -0.94 118.68 124.95 3bz4 s LEU 136 Ca 0.25 -2.46 0.01 0.00 0.02 0.00 0.00 54.13 51.95 3bz4 s LEU 136 Cb -0.15 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 3bz4 s LEU 136 CO 0.10 -0.45 0.06 0.20 0.02 0.00 0.00 176.35 176.28 3bz4 s ASN 137 N 1.18 5.53 -1.15 2.29 0.01 -0.49 -0.22 114.94 122.09 3bz4 s ASN 137 Ca 0.13 0.08 -0.16 0.00 -0.71 0.00 0.00 52.86 52.20 3bz4 s ASN 137 Cb -0.22 -1.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.89 3bz4 s ASN 137 CO -0.04 0.25 0.79 0.59 -1.51 0.00 0.00 177.10 177.19 3bz4 n ASN 138 N 1.07 -5.02 -4.72 -1.22 4.13 -0.87 -1.16 115.26 107.46 3bz4 n ASN 138 Ca -0.12 -0.95 -0.24 0.00 1.68 0.00 0.00 54.58 54.94 3bz4 n ASN 138 Cb 0.52 -3.73 -0.07 0.00 -1.54 0.00 0.00 39.78 34.96 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 -3.49 2.62 -0.24 3.10 -0.12 0.45 -4.62 117.98 115.69 3bz4 s PHE 139 Ca 0.42 -0.51 -0.17 0.00 -0.05 0.00 0.00 56.93 56.61 3bz4 s PHE 139 Cb -0.13 -1.81 0.07 0.00 -0.63 0.00 0.00 43.02 40.52 3bz4 s PHE 139 CO 0.84 0.27 0.61 -0.47 -0.05 0.00 0.00 175.22 176.41 3bz4 s TYR 140 N -2.55 -0.82 1.04 3.49 6.14 0.12 -0.44 117.35 124.34 3bz4 s TYR 140 Ca 0.39 1.78 -0.18 0.00 0.64 0.00 0.00 57.07 59.70 3bz4 s TYR 140 Cb 0.02 0.40 0.25 0.00 0.42 0.00 0.00 41.96 43.04 3bz4 s TYR 140 CO 0.22 -0.41 1.26 -0.35 0.64 0.00 0.00 175.55 176.91 3bz4 n PRO 141 N 3.65 -1.79 0.17 4.97 -0.04 -1.26 -0.22 135.00 140.48 3bz4 n PRO 141 Ca -0.18 -1.96 0.02 0.00 -0.04 0.00 0.00 63.50 61.34 3bz4 n PRO 141 Cb 0.57 -1.43 0.31 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.00 -6.70 0.54 3.64 -1.98 -3.45 116.57 108.62 3bz4 h LYS 142 Ca -0.42 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.45 3bz4 h LYS 142 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3bz4 h LYS 142 CO 0.29 0.45 0.44 -0.51 -2.27 0.00 0.00 179.45 177.85 3bz4 s ASP 143 N -6.79 7.36 -0.06 4.20 1.01 -1.26 -5.02 116.67 116.11 3bz4 s ASP 143 Ca -0.02 2.08 -0.30 0.00 0.71 0.00 0.00 52.55 55.03 3bz4 s ASP 143 Cb 0.13 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.55 3bz4 s ASP 143 CO 0.73 -0.12 0.81 -0.51 0.21 0.00 0.00 175.17 176.28 3bz4 s ILE 144 N -0.61 0.00 0.03 0.77 2.07 -1.26 -4.67 121.20 117.52 3bz4 s ILE 144 Ca 0.46 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.78 3bz4 s ILE 144 Cb -0.29 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.28 3bz4 s ILE 144 CO 0.35 0.00 -0.23 0.20 -1.91 0.00 0.00 174.94 173.35 3bz4 s ASN 145 N -1.48 2.75 -0.01 4.50 0.02 -0.32 -5.00 114.94 115.40 3bz4 s ASN 145 Ca -0.05 -0.51 0.06 0.00 -1.02 0.00 0.00 52.86 51.35 3bz4 s ASN 145 Cb -0.00 -0.26 -0.02 0.00 0.02 0.00 0.00 41.25 40.99 3bz4 s ASN 145 CO 0.02 0.23 -0.20 0.54 0.02 0.00 0.00 177.10 177.72 3bz4 s VAL 146 N -0.72 1.55 -0.03 1.60 0.11 -1.26 -0.11 120.40 121.55 3bz4 s VAL 146 Ca 0.09 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.32 3bz4 s VAL 146 Cb -0.09 -1.29 -0.00 0.00 -1.53 0.00 0.00 36.38 33.46 3bz4 s VAL 146 CO 0.01 0.42 -0.14 -0.75 -3.33 0.00 0.00 175.10 171.31 3bz4 s LYS 147 N -0.52 1.37 -0.12 1.54 2.20 -0.05 -4.96 119.74 119.21 3bz4 s LYS 147 Ca 0.07 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.18 3bz4 s LYS 147 Cb -0.08 -1.24 -0.03 0.00 -1.51 0.00 0.00 37.83 34.97 3bz4 s LYS 147 CO -0.01 0.21 -0.02 -1.58 -0.36 0.00 0.00 175.35 173.59 3bz4 s TRP 148 N 0.02 3.07 -0.04 4.03 0.52 -1.26 -0.26 118.94 125.02 3bz4 s TRP 148 Ca -0.02 -0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.09 3bz4 s TRP 148 Cb -0.09 -1.87 -0.00 0.00 -1.15 0.00 0.00 33.47 30.36 3bz4 s TRP 148 CO 0.01 0.21 -0.16 0.15 0.02 0.00 0.00 176.95 177.19 3bz4 s LYS 149 N -0.27 1.69 -0.20 4.98 1.02 -0.63 0.36 119.74 126.69 3bz4 s LYS 149 Ca 0.05 -0.55 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 3bz4 s LYS 149 Cb -0.12 -1.47 0.01 0.00 -0.52 0.00 0.00 37.83 35.73 3bz4 s LYS 149 CO 0.02 0.20 -0.12 0.42 -0.92 0.00 0.00 175.35 174.95 3bz4 s ILE 150 N 0.13 2.71 -1.54 2.17 1.01 0.10 -1.72 121.20 124.06 3bz4 s ILE 150 Ca -0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 3bz4 s ILE 150 Cb -0.12 -2.21 0.06 0.00 0.01 0.00 0.00 42.46 40.20 3bz4 s ILE 150 CO 0.02 0.46 0.47 0.47 0.00 0.00 0.00 174.94 176.37 3bz4 n ASP 151 N 4.70 -1.09 0.00 3.58 8.00 -0.44 -0.86 116.55 130.43 3bz4 n ASP 151 Ca -0.19 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.24 3bz4 n ASP 151 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 41.12 38.93 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 -1.87 1.41 3.79 0.44 0.00 -1.26 -5.00 105.19 102.71 3bz4 n GLY 152 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.12 6.37 0.28 1.61 0.01 -0.04 -5.00 113.70 113.81 3bz4 s SER 153 Ca 0.00 0.44 -0.29 0.00 1.31 0.00 0.00 55.95 57.40 3bz4 s SER 153 Cb 0.00 -2.12 -0.10 0.00 0.21 0.00 0.00 66.02 64.01 3bz4 s SER 153 CO 0.00 0.25 1.36 -0.70 0.41 0.00 0.00 173.24 174.56 3bz4 s GLU 154 N -0.22 4.33 -0.11 12.44 2.12 -1.26 0.02 118.70 136.01 3bz4 s GLU 154 Ca 0.14 2.23 0.01 0.00 0.36 0.00 0.00 54.97 57.70 3bz4 s GLU 154 Cb -0.12 -3.10 0.02 0.00 0.26 0.00 0.00 34.13 31.18 3bz4 s GLU 154 CO 0.03 -0.29 -0.12 0.50 -0.54 0.00 0.00 175.26 174.84 3bz4 s ARG 155 N -1.03 1.91 -0.05 4.30 6.06 0.16 -4.86 118.95 125.43 3bz4 s ARG 155 Ca 0.54 -0.43 0.01 0.00 -2.50 0.00 0.00 55.73 53.35 3bz4 s ARG 155 Cb -0.40 -1.73 -0.04 0.00 0.06 0.00 0.00 34.95 32.84 3bz4 s ARG 155 CO 0.47 -0.14 -0.04 1.04 -2.50 0.00 0.00 175.30 174.13 3bz4 n GLN 156 N 4.46 0.57 -2.64 5.12 6.02 -1.26 -4.14 117.38 125.51 3bz4 n GLN 156 Ca -0.17 0.03 -0.32 0.00 -0.01 0.00 0.00 57.00 56.52 3bz4 n GLN 156 Cb 0.51 -1.11 -0.05 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 -4.39 6.71 0.00 1.08 0.01 -1.26 -3.68 114.94 113.41 3bz4 s ASN 157 Ca -0.07 1.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.60 3bz4 s ASN 157 Cb 0.02 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.20 3bz4 s ASN 157 CO 0.13 -0.47 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 3bz4 n GLY 158 N -1.18 0.70 3.77 0.66 0.00 -1.26 -4.92 105.19 102.97 3bz4 n GLY 158 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.53 5.40 -0.12 1.61 1.01 -1.24 -0.83 120.40 123.70 3bz4 s VAL 159 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3bz4 s VAL 159 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.91 3bz4 s VAL 159 CO 0.00 0.49 -0.13 -0.22 0.00 0.00 0.00 175.10 175.24 3bz4 s LEU 160 N -0.06 1.56 -0.04 3.92 0.20 0.99 -4.95 118.68 120.30 3bz4 s LEU 160 Ca 0.12 -0.40 0.06 0.00 0.69 0.00 0.00 54.13 54.60 3bz4 s LEU 160 Cb -0.12 -1.02 -0.02 0.00 -0.43 0.00 0.00 46.19 44.60 3bz4 s LEU 160 CO 0.01 -0.04 -0.20 0.20 -0.29 0.00 0.00 176.35 176.04 3bz4 s ASN 161 N 1.28 3.55 -0.08 3.68 0.02 -1.26 -0.46 114.94 121.67 3bz4 s ASN 161 Ca -0.01 -0.33 -0.04 0.00 -1.02 0.00 0.00 52.86 51.46 3bz4 s ASN 161 Cb -0.14 -0.63 0.04 0.00 0.02 0.00 0.00 41.25 40.55 3bz4 s ASN 161 CO -0.05 0.33 0.19 -0.55 0.02 0.00 0.00 177.10 177.03 3bz4 s SER 162 N -0.64 -0.18 -0.10 -1.22 0.15 -0.05 -4.98 113.70 106.68 3bz4 s SER 162 Ca 0.10 0.40 -0.04 0.00 0.70 0.00 0.00 55.95 57.11 3bz4 s SER 162 Cb -0.10 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 3bz4 s SER 162 CO -0.00 -0.15 0.05 0.26 1.20 0.00 0.00 173.24 174.60 3bz4 s TRP 163 N 1.16 3.32 0.89 3.44 0.51 -1.26 -0.59 118.94 126.42 3bz4 s TRP 163 Ca -0.09 0.31 -0.12 0.00 -2.12 0.00 0.00 56.10 54.08 3bz4 s TRP 163 Cb -0.11 -1.86 0.13 0.00 -0.81 0.00 0.00 33.47 30.82 3bz4 s TRP 163 CO -0.07 0.55 1.11 0.95 -0.51 0.00 0.00 176.95 178.98 3bz4 s THR 164 N -0.88 2.44 0.84 2.01 -4.23 -0.46 -5.01 115.64 110.35 3bz4 s THR 164 Ca 0.13 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 3bz4 s THR 164 Cb -0.12 -2.80 0.09 0.00 1.34 0.00 0.00 72.50 71.02 3bz4 s THR 164 CO 0.03 -0.19 1.13 -1.81 -0.54 0.00 0.00 174.62 173.24 3bz4 s ASP 165 N -3.79 4.18 0.29 3.99 1.01 -1.26 -4.67 116.67 116.42 3bz4 s ASP 165 Ca 0.63 1.02 -0.30 0.00 0.71 0.00 0.00 52.55 54.61 3bz4 s ASP 165 Cb -0.16 -1.64 -0.12 0.00 1.01 0.00 0.00 42.92 42.01 3bz4 s ASP 165 CO 0.55 -2.14 1.61 1.67 0.21 0.00 0.00 175.17 177.08 3bz4 n GLN 166 N -3.50 2.73 -2.22 8.23 7.27 -1.26 -4.76 117.38 123.87 3bz4 n GLN 166 Ca 0.07 0.97 -0.41 0.00 0.07 0.00 0.00 57.00 57.70 3bz4 n GLN 166 Cb 0.59 -2.77 -0.03 0.00 2.41 0.00 0.00 30.24 30.44 3bz4 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3bz4 s ASP 167 N 0.55 6.91 0.57 1.69 2.15 0.17 -4.92 116.67 123.80 3bz4 s ASP 167 Ca 0.65 2.47 0.35 0.00 0.43 0.00 0.00 52.55 56.45 3bz4 s ASP 167 Cb -0.49 -2.62 1.57 0.00 -0.30 0.00 0.00 42.92 41.07 3bz4 s ASP 167 CO 0.47 -0.47 2.06 0.28 -0.17 0.00 0.00 175.17 177.34 3bz4 h SER 168 N 4.52 0.00 0.00 -0.34 0.02 -1.91 -1.51 113.55 114.34 3bz4 h SER 168 Ca -0.46 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.38 3bz4 h SER 168 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 3bz4 h SER 168 CO 0.72 0.01 -1.32 0.29 -1.14 0.00 0.00 176.83 175.39 3bz4 n LYS 169 N -3.11 0.54 0.00 3.45 4.01 -1.26 -2.70 118.16 119.09 3bz4 n LYS 169 Ca -0.00 0.23 0.08 0.00 -0.51 0.00 0.00 58.31 58.11 3bz4 n LYS 169 Cb 0.26 -1.45 0.06 0.00 -0.51 0.00 0.00 35.03 33.39 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 -4.42 2.24 -1.60 4.39 5.68 -1.25 -4.85 116.55 116.74 3bz4 n ASP 170 Ca -0.23 -1.62 -0.17 0.00 -0.50 0.00 0.00 54.79 52.27 3bz4 n ASP 170 Cb 0.59 0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.55 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 0.82 -5.08 -4.97 -1.12 7.64 -0.57 -4.96 113.62 105.38 3bz4 n SER 171 Ca 0.09 0.24 -0.19 0.00 1.01 0.00 0.00 58.87 60.01 3bz4 n SER 171 Cb 0.38 -4.13 0.04 0.00 -1.01 0.00 0.00 64.21 59.49 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 -2.74 2.63 0.27 0.44 -4.23 -1.26 -4.63 115.64 106.13 3bz4 s THR 172 Ca 0.00 -0.87 0.10 0.00 -1.18 0.00 0.00 61.69 59.74 3bz4 s THR 172 Cb 0.00 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 3bz4 s THR 172 CO 0.00 0.00 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.70 3bz4 s TYR 173 N -2.61 2.56 0.10 3.99 1.51 0.42 -0.65 117.35 122.66 3bz4 s TYR 173 Ca 0.58 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.39 3bz4 s TYR 173 Cb -0.09 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 3bz4 s TYR 173 CO 0.37 0.65 -0.05 -1.12 -1.11 0.00 0.00 175.55 174.29 3bz4 s SER 174 N -3.62 1.03 -0.03 2.29 0.01 -1.26 -0.41 113.70 111.71 3bz4 s SER 174 Ca 0.31 -1.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.49 3bz4 s SER 174 Cb -0.06 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.30 3bz4 s SER 174 CO 0.18 -0.51 0.10 -0.32 0.41 0.00 0.00 173.24 173.11 3bz4 s MET 175 N -3.87 0.20 -0.05 12.44 1.75 0.69 -1.36 119.30 129.11 3bz4 s MET 175 Ca 0.13 0.00 0.06 0.00 -1.25 0.00 0.00 55.69 54.63 3bz4 s MET 175 Cb 0.06 0.09 -0.01 0.00 2.84 0.00 0.00 34.83 37.81 3bz4 s MET 175 CO -0.04 -0.03 -0.23 0.45 -0.65 0.00 0.00 175.02 174.52 3bz4 s SER 176 N -0.30 2.81 -0.11 1.11 0.15 0.25 -0.21 113.70 117.40 3bz4 s SER 176 Ca -0.04 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.16 3bz4 s SER 176 Cb -0.03 -0.77 0.02 0.00 -1.71 0.00 0.00 66.02 63.53 3bz4 s SER 176 CO 0.00 0.22 -0.13 -0.55 1.20 0.00 0.00 173.24 173.98 3bz4 s SER 177 N -0.11 2.33 -0.13 5.45 0.15 -0.04 -0.87 113.70 120.48 3bz4 s SER 177 Ca -0.04 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.24 3bz4 s SER 177 Cb -0.13 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 63.17 3bz4 s SER 177 CO 0.03 -0.01 -0.19 -0.89 1.20 0.00 0.00 173.24 173.38 3bz4 s THR 178 N 1.12 1.81 -0.29 6.45 2.01 0.39 -0.79 115.64 126.35 3bz4 s THR 178 Ca -0.04 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 3bz4 s THR 178 Cb -0.14 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3bz4 s THR 178 CO -0.03 0.50 0.14 -0.22 -0.69 0.00 0.00 174.62 174.32 3bz4 s LEU 179 N 0.91 3.89 -0.15 4.42 2.96 -0.04 -0.01 118.68 130.66 3bz4 s LEU 179 Ca -0.06 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3bz4 s LEU 179 Cb -0.15 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3bz4 s LEU 179 CO -0.02 -0.11 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.93 3bz4 s THR 180 N 1.66 3.52 0.27 3.68 2.01 -0.01 -0.62 115.64 126.14 3bz4 s THR 180 Ca 0.06 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.62 3bz4 s THR 180 Cb -0.16 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.77 3bz4 s THR 180 CO 0.07 0.50 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.72 3bz4 s LEU 181 N 0.44 2.34 0.54 4.42 1.43 0.12 -4.76 118.68 123.22 3bz4 s LEU 181 Ca -0.06 -1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 51.63 3bz4 s LEU 181 Cb -0.15 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 3bz4 s LEU 181 CO 0.04 -0.44 1.03 0.42 0.23 0.00 0.00 176.35 177.63 3bz4 s THR 182 N -3.19 3.99 0.19 5.49 -4.23 -1.26 -0.60 115.64 116.03 3bz4 s THR 182 Ca 0.30 1.02 -0.13 0.00 -1.18 0.00 0.00 61.69 61.71 3bz4 s THR 182 Cb 0.05 -3.48 0.13 0.00 1.34 0.00 0.00 72.50 70.55 3bz4 s THR 182 CO 0.11 -0.48 1.69 0.50 -0.54 0.00 0.00 174.62 175.91 3bz4 h LYS 183 N 0.87 0.17 -0.17 3.99 3.64 -1.57 -0.95 116.57 122.55 3bz4 h LYS 183 Ca -0.48 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 3bz4 h LYS 183 Cb 1.21 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 3bz4 h LYS 183 CO 0.59 0.11 -0.39 0.22 -2.27 0.00 0.00 179.45 177.71 3bz4 h ASP 184 N 0.17 -1.23 -0.80 4.20 3.58 -1.93 -1.10 116.42 119.31 3bz4 h ASP 184 Ca 0.27 0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.87 3bz4 h ASP 184 Cb 0.40 0.51 -0.04 0.00 1.72 0.00 0.00 39.33 41.92 3bz4 h ASP 184 CO -0.40 -0.40 0.40 -0.08 -2.88 0.00 0.00 179.24 175.89 3bz4 h GLU 185 N -0.44 1.15 -0.92 0.28 4.81 -1.88 -2.89 114.58 114.69 3bz4 h GLU 185 Ca 0.09 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3bz4 h GLU 185 Cb 0.60 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3bz4 h GLU 185 CO -0.41 0.87 0.60 -0.92 -0.73 0.00 0.00 179.01 178.43 3bz4 h TYR 186 N 1.13 1.12 -0.03 0.92 3.20 -0.67 -2.45 116.97 120.19 3bz4 h TYR 186 Ca 0.28 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3bz4 h TYR 186 Cb 0.09 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 37.98 3bz4 h TYR 186 CO 0.01 0.66 0.00 0.39 -1.64 0.00 0.00 178.16 177.58 3bz4 n GLU 187 N -4.44 1.42 0.00 1.82 1.02 -0.46 -3.06 120.64 116.95 3bz4 n GLU 187 Ca 0.12 -0.62 0.14 0.00 -0.02 0.00 0.00 57.16 56.78 3bz4 n GLU 187 Cb 0.09 -1.46 0.46 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.23 1.15 -4.09 3.49 1.74 -0.92 -4.92 116.66 112.89 3bz4 n ARG 188 Ca 0.20 -0.65 -0.07 0.00 -0.77 0.00 0.00 57.85 56.55 3bz4 n ARG 188 Cb 0.25 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 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 -2.29 0.54 0.00 -1.55 3.76 -1.17 -5.10 115.29 109.47 3bz4 s HIS 189 Ca 0.30 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 3bz4 s HIS 189 Cb 0.20 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.51 3bz4 s HIS 189 CO 0.44 -0.40 0.00 0.27 -0.85 0.00 0.00 174.74 174.20 3bz4 n ASN 190 N 0.08 0.57 -4.57 1.40 2.04 -1.26 -4.84 115.26 108.68 3bz4 n ASN 190 Ca -0.13 -0.25 -0.38 0.00 -0.44 0.00 0.00 54.58 53.39 3bz4 n ASN 190 Cb 0.61 0.61 -0.11 0.00 -2.53 0.00 0.00 39.78 38.36 3bz4 n ASN 190 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 3bz4 s SER 191 N -0.72 5.91 -0.08 0.53 0.01 -1.26 0.29 113.70 118.38 3bz4 s SER 191 Ca 0.00 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.26 3bz4 s SER 191 Cb 0.00 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.14 3bz4 s SER 191 CO 0.00 -0.04 -0.17 -0.31 0.41 0.00 0.00 173.24 173.13 3bz4 s TYR 192 N 1.71 1.88 -0.02 2.43 2.02 -0.18 -1.33 117.35 123.86 3bz4 s TYR 192 Ca 0.07 -0.73 0.01 0.00 -0.37 0.00 0.00 57.07 56.05 3bz4 s TYR 192 Cb -0.16 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3bz4 s TYR 192 CO 0.10 -0.33 -0.02 0.99 -1.57 0.00 0.00 175.55 174.72 3bz4 s THR 193 N 0.52 0.24 -0.06 -0.71 2.01 -0.70 -1.49 115.64 115.45 3bz4 s THR 193 Ca -0.16 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 61.85 3bz4 s THR 193 Cb -0.17 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 3bz4 s THR 193 CO 0.06 0.12 -0.18 0.00 -0.69 0.00 0.00 174.62 173.93 3bz4 s GLU 195 N -0.42 2.26 -0.27 0.00 2.02 0.64 -1.73 118.70 121.20 3bz4 s GLU 195 Ca 0.04 -0.59 -0.13 0.00 0.02 0.00 0.00 54.97 54.31 3bz4 s GLU 195 Cb -0.12 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 3bz4 s GLU 195 CO 0.02 -0.26 0.27 0.00 0.02 0.00 0.00 175.26 175.31 3bz4 s ALA 196 N 1.48 3.55 -0.26 5.21 0.00 0.62 -0.87 121.76 131.49 3bz4 s ALA 196 Ca 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 3bz4 s ALA 196 Cb -0.13 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 3bz4 s ALA 196 CO -0.10 -0.58 0.02 0.99 0.00 0.00 0.00 175.76 176.09 3bz4 s THR 197 N 1.85 3.69 0.18 0.00 2.01 0.85 -0.71 115.64 123.50 3bz4 s THR 197 Ca 0.11 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.57 3bz4 s THR 197 Cb -0.16 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 3bz4 s THR 197 CO 0.10 0.25 -0.09 -2.28 -0.69 0.00 0.00 174.62 171.91 3bz4 s HIS 198 N 1.49 1.44 0.37 4.92 2.46 -1.26 -1.18 115.29 123.53 3bz4 s HIS 198 Ca 0.04 -0.75 0.32 0.00 0.47 0.00 0.00 55.06 55.14 3bz4 s HIS 198 Cb -0.16 -0.74 1.58 0.00 -0.13 0.00 0.00 32.58 33.13 3bz4 s HIS 198 CO -0.00 0.13 2.09 1.57 -2.47 0.00 0.00 174.74 176.06 3bz4 h LYS 199 N 2.66 0.00 0.00 2.88 2.10 -1.95 -2.49 116.57 119.78 3bz4 h LYS 199 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 3bz4 h LYS 199 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3bz4 h LYS 199 CO 0.63 0.08 0.00 0.25 -2.00 0.00 0.00 179.45 178.41 3bz4 n THR 200 N -3.39 0.53 -3.55 0.07 -2.24 -1.26 -4.74 114.28 99.70 3bz4 n THR 200 Ca -0.01 0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 3bz4 n THR 200 Cb 0.24 -1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 67.39 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 -2.33 -0.37 0.37 3.42 0.15 -0.94 -4.98 113.70 109.03 3bz4 s SER 201 Ca 0.07 0.27 0.16 0.00 0.70 0.00 0.00 55.95 57.14 3bz4 s SER 201 Cb 0.04 0.33 0.72 0.00 -1.71 0.00 0.00 66.02 65.40 3bz4 s SER 201 CO 0.08 -0.44 1.78 0.00 1.20 0.00 0.00 173.24 175.86 3bz4 h THR 202 N 2.37 1.08 -3.24 6.45 1.03 -1.85 -3.40 112.91 115.35 3bz4 h THR 202 Ca -0.19 -1.44 -0.60 0.00 -0.01 0.00 0.00 66.41 64.16 3bz4 h THR 202 Cb 1.19 1.82 -0.12 0.00 -1.07 0.00 0.00 68.15 69.97 3bz4 h THR 202 CO 0.31 0.38 -0.48 -0.44 -0.01 0.00 0.00 175.52 175.29 3bz4 s SER 203 N -6.65 6.23 0.72 0.00 0.01 -1.26 -5.05 113.70 107.71 3bz4 s SER 203 Ca -0.01 0.26 -0.14 0.00 1.31 0.00 0.00 55.95 57.37 3bz4 s SER 203 Cb 0.13 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.30 3bz4 s SER 203 CO 0.70 0.19 1.14 -2.16 0.41 0.00 0.00 173.24 173.52 3bz4 s PRO 204 N 0.30 2.35 -0.21 12.44 0.04 -1.26 -4.88 135.00 143.78 3bz4 s PRO 204 Ca 0.09 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 3bz4 s PRO 204 Cb -0.11 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 3bz4 s PRO 204 CO -0.01 -1.62 0.53 0.42 0.04 0.00 0.00 177.00 176.35 3bz4 s ILE 205 N -2.33 5.09 -0.07 0.56 1.01 0.11 -4.87 121.20 120.69 3bz4 s ILE 205 Ca 0.68 0.96 0.04 0.00 0.00 0.00 0.00 60.65 62.34 3bz4 s ILE 205 Cb -0.23 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3bz4 s ILE 205 CO 0.46 0.16 -0.21 -0.69 0.00 0.00 0.00 174.94 174.65 3bz4 s VAL 206 N 1.77 2.36 0.04 2.92 1.01 -1.26 -0.28 120.40 126.96 3bz4 s VAL 206 Ca 0.24 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3bz4 s VAL 206 Cb -0.15 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3bz4 s VAL 206 CO 0.09 0.56 -0.14 -0.54 0.00 0.00 0.00 175.10 175.08 3bz4 s LYS 207 N -0.09 0.92 0.04 2.72 -0.14 -0.71 -5.02 119.74 117.47 3bz4 s LYS 207 Ca -0.05 -0.74 -0.15 0.00 -1.36 0.00 0.00 55.97 53.68 3bz4 s LYS 207 Cb -0.14 -0.92 0.02 0.00 -1.68 0.00 0.00 37.83 35.11 3bz4 s LYS 207 CO 0.04 0.23 0.33 -1.12 -0.76 0.00 0.00 175.35 174.07 3bz4 s SER 208 N -1.09 -0.16 0.13 2.83 0.01 -1.26 -1.41 113.70 112.74 3bz4 s SER 208 Ca 0.01 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.03 3bz4 s SER 208 Cb -0.08 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 3bz4 s SER 208 CO 0.01 -0.63 0.23 0.72 0.41 0.00 0.00 173.24 173.98 3bz4 s PHE 209 N -2.55 0.29 -0.12 2.43 -0.12 -0.56 -5.01 117.98 112.34 3bz4 s PHE 209 Ca -0.05 -0.69 0.01 0.00 -0.05 0.00 0.00 56.93 56.15 3bz4 s PHE 209 Cb -0.01 -0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.30 3bz4 s PHE 209 CO -0.03 -0.63 -0.15 1.21 -0.05 0.00 0.00 175.22 175.57 3bz4 s ASN 210 N -2.92 3.84 0.52 1.98 3.84 -1.26 -1.01 114.94 119.93 3bz4 s ASN 210 Ca 0.11 -0.36 0.19 0.00 0.21 0.00 0.00 52.86 53.02 3bz4 s ASN 210 Cb 0.04 -1.50 1.31 0.00 -0.55 0.00 0.00 41.25 40.56 3bz4 s ASN 210 CO -0.05 0.18 2.09 -0.09 -2.79 0.00 0.00 177.10 176.44 3bz4 h ARG 211 N 6.58 0.00 -0.09 0.43 2.43 -0.49 -2.40 114.38 120.85 3bz4 h ARG 211 Ca -0.26 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3bz4 h ARG 211 Cb 1.21 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3bz4 h ARG 211 CO 0.54 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.09 3bz4 n ASN 212 N -4.48 2.20 -0.60 -3.80 3.02 -1.26 -5.12 115.26 105.22 3bz4 n ASN 212 Ca 0.02 -1.74 0.14 0.00 -0.03 0.00 0.00 54.58 52.96 3bz4 n ASN 212 Cb 0.28 -0.05 0.42 0.00 -0.61 0.00 0.00 39.78 39.82 3bz4 n ASN 212 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85