#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 4.09 -0.22 0.53 1.01 -1.26 -5.01 121.20 120.34 3bz4 s ILE 2 Ca 0.00 1.50 -0.15 0.00 0.00 0.00 0.00 60.65 62.00 3bz4 s ILE 2 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3bz4 s ILE 2 CO 0.00 0.10 0.34 -0.69 0.00 0.00 0.00 174.94 174.69 3bz4 s VAL 3 N 1.19 5.23 -0.24 2.92 1.01 -1.26 -4.77 120.40 124.48 3bz4 s VAL 3 Ca 0.58 0.57 -0.07 0.00 0.00 0.00 0.00 61.98 63.06 3bz4 s VAL 3 Cb -0.29 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3bz4 s VAL 3 CO 0.28 0.27 0.07 -0.04 0.00 0.00 0.00 175.10 175.68 3bz4 s MET 4 N 1.30 3.71 -0.19 2.72 1.00 -1.26 -1.11 119.30 125.47 3bz4 s MET 4 Ca 0.16 -0.45 -0.03 0.00 0.00 0.00 0.00 55.69 55.37 3bz4 s MET 4 Cb -0.14 -3.31 -0.01 0.00 0.00 0.00 0.00 34.83 31.36 3bz4 s MET 4 CO 0.07 -0.11 -0.06 0.99 0.00 0.00 0.00 175.02 175.91 3bz4 s THR 5 N 1.41 3.35 0.04 2.05 2.01 0.82 -4.23 115.64 121.09 3bz4 s THR 5 Ca 0.05 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 3bz4 s THR 5 Cb -0.15 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3bz4 s THR 5 CO 0.04 0.46 -0.03 0.00 -0.69 0.00 0.00 174.62 174.39 3bz4 s GLN 6 N 1.08 0.47 0.43 4.92 -2.07 -1.26 -1.02 119.66 122.22 3bz4 s GLN 6 Ca 0.01 -0.93 -0.24 0.00 -1.82 0.00 0.00 55.36 52.38 3bz4 s GLN 6 Cb -0.15 0.16 -0.08 0.00 -1.09 0.00 0.00 33.01 31.86 3bz4 s GLN 6 CO -0.01 -0.08 1.16 0.00 -1.32 0.00 0.00 175.29 175.05 3bz4 s ALA 7 N -2.75 3.05 0.27 2.60 0.00 -1.26 -4.72 121.76 118.95 3bz4 s ALA 7 Ca -0.04 0.94 0.18 0.00 0.00 0.00 0.00 51.96 53.04 3bz4 s ALA 7 Cb -0.01 -3.38 0.80 0.00 0.00 0.00 0.00 23.12 20.54 3bz4 s ALA 7 CO -0.06 -0.59 1.81 0.00 0.00 0.00 0.00 175.76 176.92 3bz4 h ALA 8 N 2.29 1.15 -3.92 0.00 0.00 -1.95 -3.30 119.26 113.52 3bz4 h ALA 8 Ca -0.49 -0.32 -0.39 0.00 0.00 0.00 0.00 54.91 53.71 3bz4 h ALA 8 Cb 1.24 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 3bz4 h ALA 8 CO 0.61 0.43 -0.78 -0.06 0.00 0.00 0.00 179.25 179.46 3bz4 s PHE 9 N -3.86 0.80 0.88 0.00 0.08 -1.26 -0.40 117.98 114.21 3bz4 s PHE 9 Ca -0.01 -0.17 -0.12 0.00 0.12 0.00 0.00 56.93 56.75 3bz4 s PHE 9 Cb 0.12 -0.54 0.12 0.00 -0.57 0.00 0.00 43.02 42.15 3bz4 s PHE 9 CO 0.68 -0.05 1.12 -1.54 -0.10 0.00 0.00 175.22 175.33 3bz4 s SER 10 N -0.02 3.75 0.20 1.36 1.04 -0.69 -4.88 113.70 114.47 3bz4 s SER 10 Ca 0.00 1.14 -0.30 0.00 0.48 0.00 0.00 55.95 57.28 3bz4 s SER 10 Cb -0.05 -1.79 -0.08 0.00 0.10 0.00 0.00 66.02 64.19 3bz4 s SER 10 CO -0.00 -2.42 1.09 0.20 0.98 0.00 0.00 173.24 173.09 3bz4 s ASN 11 N -3.88 7.30 0.32 7.02 0.01 -1.26 -4.87 114.94 119.57 3bz4 s ASN 11 Ca 0.63 2.12 -0.29 0.00 -0.71 0.00 0.00 52.86 54.60 3bz4 s ASN 11 Cb -0.15 -2.61 -0.12 0.00 0.41 0.00 0.00 41.25 38.78 3bz4 s ASN 11 CO 0.54 -0.17 1.52 -2.65 -1.51 0.00 0.00 177.10 174.83 3bz4 n PRO 12 N 2.04 2.60 -5.04 -0.60 -0.02 -1.26 -4.76 135.00 127.95 3bz4 n PRO 12 Ca 0.01 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 62.09 3bz4 n PRO 12 Cb 0.46 -2.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 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 -0.50 2.51 0.24 -1.45 1.01 0.01 -4.84 120.40 117.38 3bz4 s VAL 13 Ca 0.60 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3bz4 s VAL 13 Cb -0.51 -1.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.80 3bz4 s VAL 13 CO 0.55 0.55 1.04 -0.89 0.00 0.00 0.00 175.10 176.35 3bz4 s THR 14 N 0.14 3.78 0.16 3.92 2.01 -1.26 -0.01 115.64 124.38 3bz4 s THR 14 Ca -0.10 1.74 -0.34 0.00 0.31 0.00 0.00 61.69 63.30 3bz4 s THR 14 Cb -0.16 -4.11 -0.15 0.00 0.01 0.00 0.00 72.50 68.10 3bz4 s THR 14 CO 0.06 0.39 1.38 0.18 -0.69 0.00 0.00 174.62 175.94 3bz4 n LEU 15 N 1.53 2.34 0.00 4.42 4.77 -0.80 -1.47 117.00 127.79 3bz4 n LEU 15 Ca -0.01 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 3bz4 n LEU 15 Cb 0.46 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 3bz4 n LEU 15 CO 0.52 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 3bz4 n GLY 16 N 2.56 1.41 3.95 -0.72 0.00 0.03 -4.93 105.19 107.49 3bz4 n GLY 16 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.11 2.19 0.16 2.61 -4.23 -0.54 -4.43 115.64 108.30 3bz4 s THR 17 Ca 0.00 -1.26 -0.17 0.00 -1.18 0.00 0.00 61.69 59.08 3bz4 s THR 17 Cb 0.00 -2.45 -0.07 0.00 1.34 0.00 0.00 72.50 71.32 3bz4 s THR 17 CO 0.00 0.00 0.62 -0.94 -0.54 0.00 0.00 174.62 173.76 3bz4 s SER 18 N -4.36 6.95 0.19 3.99 1.04 -1.10 -0.88 113.70 119.53 3bz4 s SER 18 Ca 0.48 1.24 0.10 0.00 0.48 0.00 0.00 55.95 58.25 3bz4 s SER 18 Cb -0.04 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 3bz4 s SER 18 CO 0.29 0.10 -0.16 0.00 0.98 0.00 0.00 173.24 174.45 3bz4 s ALA 19 N -1.43 2.76 -0.08 5.32 0.00 0.36 -4.90 121.76 123.79 3bz4 s ALA 19 Ca 0.38 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 3bz4 s ALA 19 Cb -0.16 -0.53 0.05 0.00 0.00 0.00 0.00 23.12 22.47 3bz4 s ALA 19 CO 0.20 0.44 0.15 0.45 0.00 0.00 0.00 175.76 177.00 3bz4 s SER 20 N -2.80 0.65 -0.11 0.00 0.15 -1.26 -0.78 113.70 109.54 3bz4 s SER 20 Ca 0.23 0.32 0.02 0.00 0.70 0.00 0.00 55.95 57.23 3bz4 s SER 20 Cb -0.08 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.47 3bz4 s SER 20 CO 0.13 -0.23 -0.20 -0.63 1.20 0.00 0.00 173.24 173.51 3bz4 s ILE 21 N 2.14 2.46 0.19 6.45 1.01 0.59 -4.94 121.20 129.10 3bz4 s ILE 21 Ca 0.01 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.84 3bz4 s ILE 21 Cb -0.12 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3bz4 s ILE 21 CO -0.06 0.55 0.16 -0.44 0.00 0.00 0.00 174.94 175.16 3bz4 s SER 22 N 0.31 5.58 0.03 3.58 0.01 -1.26 -0.52 113.70 121.42 3bz4 s SER 22 Ca -0.15 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 56.85 3bz4 s SER 22 Cb -0.17 -1.47 0.01 0.00 0.21 0.00 0.00 66.02 64.61 3bz4 s SER 22 CO 0.07 0.04 0.25 0.00 0.41 0.00 0.00 173.24 174.01 3bz4 s ARG 24 N -2.21 0.64 0.11 0.00 1.70 -0.18 -1.40 118.95 117.60 3bz4 s ARG 24 Ca -0.08 -0.89 0.08 0.00 -0.47 0.00 0.00 55.73 54.37 3bz4 s ARG 24 Cb -0.02 -0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 33.93 3bz4 s ARG 24 CO -0.02 0.06 -0.12 -1.54 -1.08 0.00 0.00 175.30 172.60 3bz4 s SER 25 N -1.85 4.24 0.12 -2.89 1.04 -0.32 -0.12 113.70 113.91 3bz4 s SER 25 Ca -0.05 -0.44 0.27 0.00 0.48 0.00 0.00 55.95 56.21 3bz4 s SER 25 Cb -0.08 -0.75 0.98 0.00 0.10 0.00 0.00 66.02 66.28 3bz4 s SER 25 CO 0.00 0.18 1.82 -1.54 0.98 0.00 0.00 173.24 174.68 3bz4 n SER 26 N 0.73 0.44 -4.06 7.02 3.41 -0.27 -4.77 113.62 116.13 3bz4 n SER 26 Ca -0.14 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 58.90 3bz4 n SER 26 Cb 0.52 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.52 0.00 4.33 1.02 -1.26 -4.96 119.74 116.32 3bz4 s LYS 27 Ca 0.11 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.32 3bz4 s LYS 27 Cb 0.15 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 3bz4 s LYS 27 CO 0.54 0.03 0.00 0.45 -0.92 0.00 0.00 175.35 175.45 3bz4 n SER 27 N 1.35 -1.20 -1.94 2.83 2.88 -1.26 -4.74 113.62 111.55 3bz4 n SER 27 Ca -0.22 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 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 -3.63 -4.93 2.46 7.94 -1.26 -5.00 117.00 112.58 3bz4 n LEU 27 Ca 0.00 2.32 -0.25 0.00 -1.11 0.00 0.00 56.01 56.97 3bz4 n LEU 27 Cb 0.00 -2.51 -0.01 0.00 0.53 0.00 0.00 43.42 41.43 3bz4 n LEU 27 CO 0.00 -1.49 0.21 -2.28 -1.11 0.00 0.00 177.39 172.72 3bz4 s HIS 27 N -0.32 3.50 0.21 1.96 5.65 -0.46 -4.99 115.29 120.85 3bz4 s HIS 27 Ca 0.00 0.47 0.34 0.00 0.25 0.00 0.00 55.06 56.12 3bz4 s HIS 27 Cb 0.00 -1.99 1.76 0.00 -1.18 0.00 0.00 32.58 31.17 3bz4 s HIS 27 CO 0.00 0.08 2.04 0.66 -0.65 0.00 0.00 174.74 176.87 3bz4 h SER 27 N 0.90 0.00 -0.01 9.88 4.64 -2.02 -0.62 113.55 126.32 3bz4 h SER 27 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 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 -2.75 0.22 0.00 4.97 5.68 -1.26 -4.90 116.55 118.51 3bz4 n ASP 28 Ca -0.02 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 3bz4 n ASP 28 Cb 0.11 -0.00 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 0.96 1.05 3.80 6.12 0.00 -0.24 -5.05 105.19 111.84 3bz4 n GLY 29 Ca 0.20 0.00 -0.39 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 -2.37 4.69 -0.31 -0.61 1.01 -1.26 -4.83 121.20 117.51 3bz4 s ILE 30 Ca 0.00 1.31 -0.13 0.00 0.00 0.00 0.00 60.65 61.83 3bz4 s ILE 30 Cb 0.00 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3bz4 s ILE 30 CO 0.00 0.53 0.27 -0.89 0.00 0.00 0.00 174.94 174.86 3bz4 s THR 31 N -1.02 5.25 -1.26 2.92 2.01 -1.26 -1.35 115.64 120.94 3bz4 s THR 31 Ca 0.30 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.30 3bz4 s THR 31 Cb -0.20 -3.68 0.17 0.00 0.01 0.00 0.00 72.50 68.80 3bz4 s THR 31 CO 0.20 0.07 2.06 -1.22 -0.69 0.00 0.00 174.62 175.04 3bz4 n TYR 32 N 5.19 2.69 -4.68 4.92 4.02 -1.26 -2.46 117.16 125.58 3bz4 n TYR 32 Ca -0.12 -2.76 -0.33 0.00 -0.01 0.00 0.00 57.90 54.68 3bz4 n TYR 32 Cb 0.50 -1.76 -0.13 0.00 -0.02 0.00 0.00 39.34 37.93 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 -1.65 2.97 0.06 7.72 1.98 -1.26 -1.59 118.68 126.91 3bz4 s LEU 33 Ca 0.45 -0.17 0.05 0.00 -2.89 0.00 0.00 54.13 51.57 3bz4 s LEU 33 Cb 0.14 -1.66 -0.03 0.00 0.66 0.00 0.00 46.19 45.30 3bz4 s LEU 33 CO -0.04 0.26 -0.14 -0.31 -1.89 0.00 0.00 176.35 174.24 3bz4 s TYR 34 N -0.21 1.17 -0.04 5.38 1.51 0.03 -0.28 117.35 124.91 3bz4 s TYR 34 Ca 0.02 -0.44 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 3bz4 s TYR 34 Cb -0.13 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.04 3bz4 s TYR 34 CO 0.03 0.04 -0.24 -1.58 -1.11 0.00 0.00 175.55 172.69 3bz4 s TRP 35 N -1.18 2.29 0.08 2.71 0.52 -0.50 -1.36 118.94 121.50 3bz4 s TRP 35 Ca -0.02 -0.59 0.10 0.00 0.02 0.00 0.00 56.10 55.61 3bz4 s TRP 35 Cb -0.09 -1.50 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 3bz4 s TRP 35 CO 0.02 -0.15 -0.26 0.71 0.02 0.00 0.00 176.95 177.29 3bz4 s TYR 36 N -0.30 2.23 -0.14 -1.98 2.02 0.75 -0.38 117.35 119.55 3bz4 s TYR 36 Ca 0.01 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3bz4 s TYR 36 Cb -0.12 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 3bz4 s TYR 36 CO 0.02 0.21 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.95 3bz4 s LEU 37 N -1.61 2.94 -0.39 -1.29 2.96 0.23 -0.77 118.68 120.75 3bz4 s LEU 37 Ca 0.12 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3bz4 s LEU 37 Cb -0.10 -1.68 0.09 0.00 0.50 0.00 0.00 46.19 45.00 3bz4 s LEU 37 CO 0.04 0.17 0.18 -1.58 -1.32 0.00 0.00 176.35 173.84 3bz4 s GLN 38 N 0.34 2.18 0.48 1.98 0.74 0.30 -0.76 119.66 124.93 3bz4 s GLN 38 Ca -0.08 -1.66 -0.21 0.00 0.05 0.00 0.00 55.36 53.46 3bz4 s GLN 38 Cb -0.15 -3.55 -0.08 0.00 1.10 0.00 0.00 33.01 30.33 3bz4 s GLN 38 CO 0.05 -0.97 1.06 0.15 -0.55 0.00 0.00 175.29 175.03 3bz4 s LYS 39 N 1.21 3.78 0.16 1.67 1.02 -1.26 -1.02 119.74 125.30 3bz4 s LYS 39 Ca 0.05 1.45 -0.34 0.00 0.02 0.00 0.00 55.97 57.15 3bz4 s LYS 39 Cb -0.22 -2.17 -0.15 0.00 -0.52 0.00 0.00 37.83 34.77 3bz4 s LYS 39 CO -0.03 -0.46 1.45 -0.35 -0.92 0.00 0.00 175.35 175.04 3bz4 n PRO 40 N -0.85 1.79 -0.33 -1.68 -0.04 -1.26 -1.12 135.00 131.51 3bz4 n PRO 40 Ca 0.09 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3bz4 n PRO 40 Cb 0.51 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 3bz4 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bz4 n GLY 41 N 2.85 2.04 3.85 0.55 0.00 -1.26 -5.02 105.19 108.20 3bz4 n GLY 41 Ca 0.16 0.00 -0.22 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 -0.10 2.43 0.77 1.61 -0.21 -0.28 -5.14 119.66 118.74 3bz4 s GLN 42 Ca 0.00 -1.66 -0.11 0.00 0.02 0.00 0.00 55.36 53.61 3bz4 s GLN 42 Cb 0.00 -2.27 0.05 0.00 1.00 0.00 0.00 33.01 31.79 3bz4 s GLN 42 CO 0.00 -0.24 1.09 -1.12 -2.12 0.00 0.00 175.29 172.90 3bz4 s SER 43 N -4.11 4.77 0.62 5.90 0.01 -1.26 -4.65 113.70 114.98 3bz4 s SER 43 Ca 0.45 1.31 -0.18 0.00 1.31 0.00 0.00 55.95 58.84 3bz4 s SER 43 Cb -0.02 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3bz4 s SER 43 CO 0.26 -1.79 1.23 -2.84 0.41 0.00 0.00 173.24 170.51 3bz4 s PRO 44 N -5.18 2.81 0.02 12.44 0.02 -1.26 -4.42 135.00 139.43 3bz4 s PRO 44 Ca 0.60 1.87 0.01 0.00 0.02 0.00 0.00 61.00 63.50 3bz4 s PRO 44 Cb -0.14 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 3bz4 s PRO 44 CO 0.54 -1.35 -0.04 -3.38 -0.33 0.00 0.00 177.00 172.44 3bz4 s HIS 45 N -1.59 0.34 0.09 6.54 -3.43 0.06 -4.95 115.29 112.35 3bz4 s HIS 45 Ca 0.78 -0.49 -0.31 0.00 -0.80 0.00 0.00 55.06 54.25 3bz4 s HIS 45 Cb -0.32 -0.23 -0.08 0.00 -1.43 0.00 0.00 32.58 30.52 3bz4 s HIS 45 CO 0.36 -0.15 1.48 -1.17 -2.00 0.00 0.00 174.74 173.26 3bz4 s LEU 46 N -1.39 4.36 -0.23 5.38 2.96 -1.26 -0.60 118.68 127.89 3bz4 s LEU 46 Ca -0.14 2.37 -0.11 0.00 -0.22 0.00 0.00 54.13 56.04 3bz4 s LEU 46 Cb -0.09 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 3bz4 s LEU 46 CO -0.01 -0.75 -0.30 0.18 -1.32 0.00 0.00 176.35 174.16 3bz4 n LEU 47 N 4.61 1.70 -3.81 -0.68 4.77 0.49 -4.75 117.00 119.33 3bz4 n LEU 47 Ca 0.13 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3bz4 n LEU 47 Cb 0.41 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 3bz4 n LEU 47 CO 0.60 0.50 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.23 3bz4 s ILE 48 N -2.43 -0.03 0.18 -0.08 -1.09 -1.05 -1.06 121.20 115.66 3bz4 s ILE 48 Ca -0.32 0.09 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 3bz4 s ILE 48 Cb 0.12 -0.11 -0.04 0.00 -1.58 0.00 0.00 42.46 40.85 3bz4 s ILE 48 CO 0.41 0.04 -0.15 -0.72 -1.23 0.00 0.00 174.94 173.30 3bz4 s TYR 49 N 0.53 1.64 -1.46 3.97 1.13 -0.10 -1.42 117.35 121.65 3bz4 s TYR 49 Ca -0.04 -0.57 -0.08 0.00 -1.41 0.00 0.00 57.07 54.97 3bz4 s TYR 49 Cb -0.06 -0.79 0.05 0.00 -1.10 0.00 0.00 41.96 40.06 3bz4 s TYR 49 CO -0.02 0.30 0.81 0.72 -2.51 0.00 0.00 175.55 174.85 3bz4 n HIS 50 N -0.12 -2.06 0.00 -3.49 8.25 -0.98 -1.62 115.22 115.19 3bz4 n HIS 50 Ca -0.10 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 3bz4 n HIS 50 Cb 0.59 -4.01 0.00 0.00 1.12 0.00 0.00 29.99 27.69 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 -4.50 0.00 0.00 2.41 7.94 0.61 -4.19 117.00 119.27 3bz4 n LEU 51 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 3bz4 n LEU 51 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 3bz4 n LEU 51 CO 0.74 0.00 0.03 -1.20 -1.11 0.00 0.00 177.39 175.85 3bz4 n SER 52 N 1.17 0.14 -4.75 1.96 7.64 -1.19 -4.08 113.62 114.51 3bz4 n SER 52 Ca 0.00 -0.65 -0.38 0.00 1.01 0.00 0.00 58.87 58.85 3bz4 n SER 52 Cb 0.00 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.09 6.71 0.10 6.43 0.01 -0.64 -4.66 114.94 122.80 3bz4 s ASN 53 Ca 0.00 0.84 -0.29 0.00 -0.71 0.00 0.00 52.86 52.70 3bz4 s ASN 53 Cb 0.00 -2.28 -0.06 0.00 0.41 0.00 0.00 41.25 39.33 3bz4 s ASN 53 CO 0.00 0.08 0.94 -0.76 -1.51 0.00 0.00 177.10 175.85 3bz4 s LEU 54 N 0.24 4.49 0.64 0.60 1.02 -1.26 -0.93 118.68 123.49 3bz4 s LEU 54 Ca 0.25 1.76 -0.17 0.00 0.02 0.00 0.00 54.13 55.99 3bz4 s LEU 54 Cb -0.15 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.50 3bz4 s LEU 54 CO 0.11 -0.06 1.15 0.00 0.02 0.00 0.00 176.35 177.57 3bz4 s ALA 55 N -0.01 2.45 0.14 4.21 0.00 -0.22 -4.89 121.76 123.43 3bz4 s ALA 55 Ca 0.46 0.75 -0.35 0.00 0.00 0.00 0.00 51.96 52.83 3bz4 s ALA 55 Cb -0.23 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.36 3bz4 s ALA 55 CO 0.29 -1.29 1.42 0.45 0.00 0.00 0.00 175.76 176.63 3bz4 n SER 56 N -2.12 2.27 0.00 0.00 2.88 -1.26 -1.32 113.62 114.07 3bz4 n SER 56 Ca 0.12 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 3bz4 n SER 56 Cb 0.51 -1.31 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 2.76 1.72 3.71 0.46 0.00 -1.26 -5.02 105.19 107.57 3bz4 n GLY 57 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.63 4.32 0.64 1.61 1.01 -0.43 -5.01 120.40 118.91 3bz4 s VAL 58 Ca 0.00 1.67 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 3bz4 s VAL 58 Cb 0.00 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3bz4 s VAL 58 CO 0.00 0.13 1.22 -2.84 0.00 0.00 0.00 175.10 173.61 3bz4 s PRO 59 N 1.04 2.70 0.00 2.72 0.02 -1.26 -4.90 135.00 135.31 3bz4 s PRO 59 Ca 0.56 1.84 0.15 0.00 0.02 0.00 0.00 61.00 63.58 3bz4 s PRO 59 Cb -0.27 -1.89 0.80 0.00 0.02 0.00 0.00 34.50 33.16 3bz4 s PRO 59 CO 0.29 -1.43 1.42 -0.40 -0.33 0.00 0.00 177.00 176.55 3bz4 n ASP 60 N -1.94 0.00 0.29 2.53 5.68 -1.26 -1.88 116.55 119.98 3bz4 n ASP 60 Ca 0.14 -0.02 0.16 0.00 -0.50 0.00 0.00 54.79 54.57 3bz4 n ASP 60 Cb 0.50 -0.24 0.90 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 0.00 0.00 -6.07 0.11 3.08 -1.94 -3.42 114.38 106.14 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 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3bz4 h ARG 61 CO 0.00 0.04 0.00 -0.06 -1.07 0.00 0.00 179.97 178.88 3bz4 s PHE 62 N -4.40 3.66 0.12 3.04 0.40 -0.79 -1.48 117.98 118.53 3bz4 s PHE 62 Ca -0.04 1.20 -0.09 0.00 -0.60 0.00 0.00 56.93 57.40 3bz4 s PHE 62 Cb 0.14 -2.64 -0.00 0.00 0.51 0.00 0.00 43.02 41.02 3bz4 s PHE 62 CO 0.54 0.30 0.23 -1.54 0.70 0.00 0.00 175.22 175.45 3bz4 s SER 63 N -0.01 0.08 -0.07 1.36 1.04 -0.77 -4.98 113.70 110.36 3bz4 s SER 63 Ca 0.32 -0.74 -0.19 0.00 0.48 0.00 0.00 55.95 55.82 3bz4 s SER 63 Cb -0.18 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.36 3bz4 s SER 63 CO 0.17 -0.80 0.45 -0.55 0.98 0.00 0.00 173.24 173.49 3bz4 s SER 64 N -2.90 -0.39 0.12 7.02 0.15 -1.26 -1.02 113.70 115.42 3bz4 s SER 64 Ca 0.10 0.48 -0.08 0.00 0.70 0.00 0.00 55.95 57.15 3bz4 s SER 64 Cb 0.04 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 3bz4 s SER 64 CO -0.07 -0.41 0.21 -0.94 1.20 0.00 0.00 173.24 173.24 3bz4 s SER 65 N -0.86 0.11 0.00 5.45 1.04 -0.81 -4.32 113.70 114.31 3bz4 s SER 65 Ca -0.09 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3bz4 s SER 65 Cb -0.03 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3bz4 s SER 65 CO 0.05 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3bz4 n GLY 66 N -0.12 0.76 0.00 7.32 0.00 -1.26 -1.11 105.19 110.78 3bz4 n GLY 66 Ca -0.11 -1.04 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 0.22 1.61 3.41 -0.23 -4.97 113.62 113.67 3bz4 n SER 67 Ca 0.00 -0.19 0.15 0.00 -0.26 0.00 0.00 58.87 58.57 3bz4 n SER 67 Cb 0.00 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.53 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 -3.39 103.07 102.71 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 -0.25 -1.30 0.00 0.00 0.00 176.54 174.99 3bz4 n THR 69 N -2.78 0.00 -3.99 4.70 -2.24 -1.26 -4.26 114.28 104.45 3bz4 n THR 69 Ca 0.01 -0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.48 3bz4 n THR 69 Cb 0.30 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.76 0.76 0.04 3.42 1.01 -1.26 -1.17 116.67 118.72 3bz4 s ASP 70 Ca 0.00 -0.07 0.02 0.00 0.71 0.00 0.00 52.55 53.21 3bz4 s ASP 70 Cb 0.00 -0.33 -0.03 0.00 1.01 0.00 0.00 42.92 43.58 3bz4 s ASP 70 CO 0.00 -0.10 -0.07 -0.36 0.21 0.00 0.00 175.17 174.86 3bz4 s PHE 71 N 1.12 0.61 -0.05 4.23 0.08 -0.49 -1.06 117.98 122.41 3bz4 s PHE 71 Ca -0.08 -0.57 -0.02 0.00 0.12 0.00 0.00 56.93 56.38 3bz4 s PHE 71 Cb -0.14 -0.37 0.03 0.00 -0.57 0.00 0.00 43.02 41.97 3bz4 s PHE 71 CO -0.01 -0.12 0.06 0.99 -0.10 0.00 0.00 175.22 176.03 3bz4 s THR 72 N -1.70 -0.05 -0.12 0.64 2.01 -0.26 -1.53 115.64 114.62 3bz4 s THR 72 Ca -0.08 0.35 -0.18 0.00 0.31 0.00 0.00 61.69 62.09 3bz4 s THR 72 Cb -0.08 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 3bz4 s THR 72 CO -0.01 0.16 0.47 -0.22 -0.69 0.00 0.00 174.62 174.33 3bz4 s LEU 73 N 2.15 4.28 -0.08 4.42 2.96 0.32 -1.92 118.68 130.81 3bz4 s LEU 73 Ca 0.05 0.81 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 3bz4 s LEU 73 Cb -0.12 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 3bz4 s LEU 73 CO -0.04 0.01 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.23 3bz4 s ARG 74 N 0.57 2.81 -0.26 1.98 3.52 -0.19 -0.30 118.95 127.10 3bz4 s ARG 74 Ca 0.25 -0.77 -0.01 0.00 -0.13 0.00 0.00 55.73 55.07 3bz4 s ARG 74 Cb -0.15 -2.38 0.03 0.00 -1.56 0.00 0.00 34.95 30.90 3bz4 s ARG 74 CO 0.10 0.39 -0.06 0.42 -0.81 0.00 0.00 175.30 175.35 3bz4 s ILE 75 N -0.16 2.80 0.11 4.11 1.01 0.04 -1.85 121.20 127.27 3bz4 s ILE 75 Ca -0.02 -1.14 -0.14 0.00 0.00 0.00 0.00 60.65 59.35 3bz4 s ILE 75 Cb -0.14 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.80 3bz4 s ILE 75 CO 0.04 0.13 1.45 0.77 0.00 0.00 0.00 174.94 177.33 3bz4 h SER 76 N 7.98 0.82 -2.35 3.58 4.64 -1.53 0.11 113.55 126.80 3bz4 h SER 76 Ca -0.30 -0.45 -0.55 0.00 -0.47 0.00 0.00 61.79 60.02 3bz4 h SER 76 Cb 1.09 -0.23 -0.37 0.00 -0.31 0.00 0.00 62.40 62.59 3bz4 h SER 76 CO 0.56 1.10 -0.89 -0.13 -0.87 0.00 0.00 176.83 176.60 3bz4 s ARG 77 N -4.45 0.76 0.24 4.77 0.52 -1.25 -2.70 118.95 116.84 3bz4 s ARG 77 Ca -0.12 -1.68 -0.31 0.00 -0.52 0.00 0.00 55.73 53.09 3bz4 s ARG 77 Cb 0.10 -1.26 -0.13 0.00 0.52 0.00 0.00 34.95 34.18 3bz4 s ARG 77 CO 0.84 -1.31 1.42 0.28 0.02 0.00 0.00 175.30 176.55 3bz4 n VAL 78 N 3.39 0.94 -4.33 3.52 0.31 -0.06 -4.64 118.33 117.46 3bz4 n VAL 78 Ca 0.22 -0.23 -0.25 0.00 -0.01 0.00 0.00 64.34 64.06 3bz4 n VAL 78 Cb 0.44 -1.50 -0.09 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.39 2.01 0.26 5.55 2.02 -1.26 -0.79 118.70 126.10 3bz4 s GLU 79 Ca 0.68 -1.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 3bz4 s GLU 79 Cb -0.64 -2.07 0.57 0.00 0.10 0.00 0.00 34.13 32.09 3bz4 s GLU 79 CO 0.49 0.39 1.72 0.00 0.02 0.00 0.00 175.26 177.89 3bz4 h ALA 80 N 2.55 1.22 0.00 5.21 0.00 -1.89 -1.00 119.26 125.35 3bz4 h ALA 80 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3bz4 h ALA 80 Cb 1.23 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3bz4 h ALA 80 CO 0.56 -0.24 0.00 1.05 0.00 0.00 0.00 179.25 180.62 3bz4 h GLU 81 N 0.45 0.00 0.00 0.00 4.11 -1.79 -2.76 114.58 114.58 3bz4 h GLU 81 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 3bz4 h GLU 81 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3bz4 h GLU 81 CO -0.45 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.38 3bz4 n ASP 82 N -2.45 0.00 -4.75 3.06 8.00 -0.38 -4.87 116.55 115.15 3bz4 n ASP 82 Ca -0.01 0.19 -0.36 0.00 0.71 0.00 0.00 54.79 55.32 3bz4 n ASP 82 Cb 0.08 -0.39 0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.77 2.67 -5.00 2.53 -7.23 -1.04 -4.88 120.40 104.68 3bz4 s VAL 83 Ca 0.18 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 3bz4 s VAL 83 Cb 0.17 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.95 3bz4 s VAL 83 CO 0.42 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 3bz4 n GLY 84 N 0.46 0.31 3.47 2.32 0.00 -1.25 -4.43 105.19 106.06 3bz4 n GLY 84 Ca 0.13 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.07 4.07 -0.26 -0.61 1.01 -0.19 -1.30 121.20 121.85 3bz4 s ILE 85 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 3bz4 s ILE 85 Cb 0.00 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3bz4 s ILE 85 CO 0.00 0.43 0.37 -0.31 0.00 0.00 0.00 174.94 175.43 3bz4 s TYR 86 N 0.90 3.27 -0.12 3.97 1.51 0.02 -0.54 117.35 126.36 3bz4 s TYR 86 Ca 0.01 0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 56.50 3bz4 s TYR 86 Cb -0.14 -2.55 -0.03 0.00 -0.11 0.00 0.00 41.96 39.13 3bz4 s TYR 86 CO 0.02 -0.18 -0.06 0.71 -1.11 0.00 0.00 175.55 174.93 3bz4 s TYR 87 N 1.90 2.96 0.30 2.71 2.02 0.06 -0.78 117.35 126.51 3bz4 s TYR 87 Ca 0.15 -0.25 -0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3bz4 s TYR 87 Cb -0.15 -1.85 -0.06 0.00 -0.40 0.00 0.00 41.96 39.49 3bz4 s TYR 87 CO 0.09 0.06 0.60 0.00 -1.57 0.00 0.00 175.55 174.73 3bz4 s ALA 89 N -2.09 -1.32 0.28 0.00 0.00 -0.47 -0.09 121.76 118.08 3bz4 s ALA 89 Ca 0.46 0.74 0.07 0.00 0.00 0.00 0.00 51.96 53.23 3bz4 s ALA 89 Cb -0.11 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 3bz4 s ALA 89 CO 0.28 -0.40 0.20 -3.38 0.00 0.00 0.00 175.76 172.45 3bz4 s HIS 90 N -1.80 3.00 -0.36 0.00 -3.43 -1.20 -0.79 115.29 110.70 3bz4 s HIS 90 Ca -0.09 -0.18 0.13 0.00 -0.80 0.00 0.00 55.06 54.12 3bz4 s HIS 90 Cb -0.01 -1.48 0.37 0.00 -1.43 0.00 0.00 32.58 30.02 3bz4 s HIS 90 CO 0.03 0.44 0.77 -1.71 -2.00 0.00 0.00 174.74 172.28 3bz4 n ASN 91 N -1.19 0.99 -0.03 7.38 5.15 -0.62 -4.63 115.26 122.30 3bz4 n ASN 91 Ca -0.06 -2.97 0.02 0.00 -0.60 0.00 0.00 54.58 50.97 3bz4 n ASN 91 Cb 0.59 -0.60 -0.02 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 0.21 0.00 -3.66 3.44 0.24 -1.26 -4.88 118.33 112.42 3bz4 n VAL 92 Ca 0.22 -0.40 -0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3bz4 n VAL 92 Cb 0.68 1.01 -0.01 0.00 -1.47 0.00 0.00 33.84 34.06 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 -1.32 0.64 0.03 7.34 -1.05 -1.26 -5.15 118.70 117.93 3bz4 s GLU 93 Ca 0.02 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 3bz4 s GLU 93 Cb 0.04 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 3bz4 s GLU 93 CO 0.18 -0.29 0.12 -0.51 0.95 0.00 0.00 175.26 175.70 3bz4 s LEU 94 N -2.92 4.02 0.48 1.83 1.43 -1.26 -4.08 118.68 118.18 3bz4 s LEU 94 Ca 0.13 0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 53.17 3bz4 s LEU 94 Cb 0.03 -2.50 -0.08 0.00 0.03 0.00 0.00 46.19 43.67 3bz4 s LEU 94 CO -0.02 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 175.71 3bz4 s PRO 95 N -2.08 3.75 0.07 1.29 0.04 -1.26 -5.03 135.00 131.78 3bz4 s PRO 95 Ca 0.27 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 3bz4 s PRO 95 Cb -0.12 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 3bz4 s PRO 95 CO 0.19 -0.51 1.16 1.03 0.04 0.00 0.00 177.00 178.92 3bz4 s ARG 96 N -2.99 4.46 0.08 4.56 0.52 -1.26 -4.75 118.95 119.58 3bz4 s ARG 96 Ca 0.66 1.73 0.05 0.00 -0.52 0.00 0.00 55.73 57.65 3bz4 s ARG 96 Cb -0.22 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 3bz4 s ARG 96 CO 0.26 -0.19 -0.14 0.95 0.02 0.00 0.00 175.30 176.20 3bz4 s THR 97 N 0.89 1.12 0.14 0.02 -4.23 -1.26 -5.09 115.64 107.23 3bz4 s THR 97 Ca 0.57 -1.40 0.10 0.00 -1.18 0.00 0.00 61.69 59.78 3bz4 s THR 97 Cb -0.29 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 3bz4 s THR 97 CO 0.30 -0.29 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.48 3bz4 s PHE 98 N -1.53 2.17 0.87 3.99 0.40 -1.26 -3.28 117.98 119.34 3bz4 s PHE 98 Ca 0.00 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.83 3bz4 s PHE 98 Cb -0.08 -1.15 0.12 0.00 0.51 0.00 0.00 43.02 42.41 3bz4 s PHE 98 CO 0.02 0.34 1.09 0.20 0.70 0.00 0.00 175.22 177.58 3bz4 s GLY 99 N -2.18 1.63 0.00 4.36 0.00 0.87 -4.54 107.32 107.46 3bz4 s GLY 99 Ca 0.14 0.02 0.22 0.00 0.00 0.00 0.00 44.72 45.10 3bz4 s GLY 99 CO 0.06 0.48 1.70 0.61 0.00 0.00 0.00 173.10 175.96 3bz4 n GLY 100 N -1.08 -0.93 0.00 0.20 0.00 -1.26 -4.71 105.19 97.41 3bz4 n GLY 100 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.51 0.56 3.18 -0.02 0.00 -1.26 -4.99 105.19 103.18 3bz4 n GLY 101 Ca 0.12 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.46 2.43 -0.07 2.61 2.01 0.04 -3.98 115.64 117.22 3bz4 s THR 102 Ca 0.00 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 3bz4 s THR 102 Cb 0.00 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 3bz4 s THR 102 CO 0.00 0.51 1.08 -0.75 -0.69 0.00 0.00 174.62 174.77 3bz4 s LYS 103 N 1.23 4.41 -0.15 4.92 2.20 0.47 -0.80 119.74 132.01 3bz4 s LYS 103 Ca 0.03 1.51 -0.18 0.00 -0.36 0.00 0.00 55.97 56.96 3bz4 s LYS 103 Cb -0.14 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3bz4 s LYS 103 CO -0.08 -0.33 0.50 -1.17 -0.36 0.00 0.00 175.35 173.91 3bz4 s LEU 104 N 1.94 4.22 -0.07 5.43 2.96 -0.42 -1.70 118.68 131.04 3bz4 s LEU 104 Ca 0.52 0.77 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3bz4 s LEU 104 Cb -0.21 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 3bz4 s LEU 104 CO 0.21 -0.09 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.23 3bz4 s GLU 105 N 1.09 2.72 -0.05 1.98 2.12 -1.26 -3.88 118.70 121.42 3bz4 s GLU 105 Ca 0.26 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.76 3bz4 s GLU 105 Cb -0.15 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 3bz4 s GLU 105 CO 0.10 0.37 -0.06 0.42 -0.54 0.00 0.00 175.26 175.56 3bz4 s ILE 106 N -0.12 3.78 -0.17 -3.70 1.01 -1.26 -0.81 121.20 119.93 3bz4 s ILE 106 Ca -0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 3bz4 s ILE 106 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3bz4 s ILE 106 CO 0.04 0.53 0.04 -0.75 0.00 0.00 0.00 174.94 174.80 3bz4 s LYS 107 N -1.04 3.84 0.36 2.79 2.20 0.99 -4.81 119.74 124.07 3bz4 s LYS 107 Ca 0.14 -0.37 0.07 0.00 -0.36 0.00 0.00 55.97 55.46 3bz4 s LYS 107 Cb -0.11 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 3bz4 s LYS 107 CO 0.04 0.32 0.26 -0.98 -0.36 0.00 0.00 175.35 174.63 3bz4 s ARG 108 N 0.22 1.84 0.35 4.03 1.70 -1.26 -1.90 118.95 123.92 3bz4 s ARG 108 Ca 0.03 -2.09 -0.28 0.00 -0.47 0.00 0.00 55.73 52.92 3bz4 s ARG 108 Cb -0.13 0.13 -0.10 0.00 -0.57 0.00 0.00 34.95 34.29 3bz4 s ARG 108 CO 0.01 -0.64 1.36 0.00 -1.08 0.00 0.00 175.30 174.95 3bz4 s ALA 109 N -3.35 3.51 0.45 7.88 0.00 -1.26 -4.97 121.76 124.03 3bz4 s ALA 109 Ca 0.37 1.36 -0.24 0.00 0.00 0.00 0.00 51.96 53.45 3bz4 s ALA 109 Cb 0.02 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 3bz4 s ALA 109 CO 0.26 -0.78 1.07 -0.25 0.00 0.00 0.00 175.76 176.06 3bz4 n ASP 110 N 0.67 1.53 -3.75 0.00 8.00 -1.26 -4.78 116.55 116.95 3bz4 n ASP 110 Ca 0.00 1.02 -0.13 0.00 0.71 0.00 0.00 54.79 56.39 3bz4 n ASP 110 Cb 0.41 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 39.98 3bz4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bz4 s ALA 111 N -1.29 -0.53 0.42 2.24 0.00 0.11 -4.90 121.76 117.80 3bz4 s ALA 111 Ca 0.65 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 53.23 3bz4 s ALA 111 Cb -0.52 -0.52 -0.11 0.00 0.00 0.00 0.00 23.12 21.97 3bz4 s ALA 111 CO 0.55 -0.16 0.94 0.00 0.00 0.00 0.00 175.76 177.10 3bz4 s ALA 112 N 0.83 3.06 0.50 0.00 0.00 -1.26 -1.57 121.76 123.32 3bz4 s ALA 112 Ca -0.06 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 3bz4 s ALA 112 Cb -0.07 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 3bz4 s ALA 112 CO -0.05 0.14 1.09 -1.25 0.00 0.00 0.00 175.76 175.70 3bz4 s PRO 113 N -3.09 3.66 -0.33 0.00 0.04 -1.26 -4.48 135.00 129.53 3bz4 s PRO 113 Ca 0.61 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 3bz4 s PRO 113 Cb -0.10 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3bz4 s PRO 113 CO 0.14 -0.58 0.35 0.99 0.04 0.00 0.00 177.00 177.93 3bz4 s THR 114 N -1.80 5.18 -0.16 1.26 2.01 -0.12 -4.86 115.64 117.14 3bz4 s THR 114 Ca 0.68 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.74 3bz4 s THR 114 Cb -0.22 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3bz4 s THR 114 CO 0.26 -0.02 0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 3bz4 s VAL 115 N 2.00 4.83 -0.03 3.82 1.01 -1.26 -0.85 120.40 129.91 3bz4 s VAL 115 Ca 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3bz4 s VAL 115 Cb -0.16 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.08 3bz4 s VAL 115 CO 0.11 0.50 -0.06 -0.44 0.00 0.00 0.00 175.10 175.21 3bz4 s SER 116 N 0.03 0.99 -0.01 3.32 0.01 -0.53 -4.96 113.70 112.55 3bz4 s SER 116 Ca 0.06 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.21 3bz4 s SER 116 Cb -0.12 -0.38 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 3bz4 s SER 116 CO 0.01 0.00 -0.11 -0.51 0.41 0.00 0.00 173.24 173.04 3bz4 s ILE 117 N 0.55 3.34 -0.07 1.44 2.07 -1.26 -0.91 121.20 126.36 3bz4 s ILE 117 Ca -0.08 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 58.36 3bz4 s ILE 117 Cb -0.11 -2.40 0.02 0.00 0.13 0.00 0.00 42.46 40.10 3bz4 s ILE 117 CO 0.00 0.46 -0.05 -0.36 -1.91 0.00 0.00 174.94 173.08 3bz4 s PHE 118 N -0.89 0.98 0.75 3.50 0.08 0.26 -5.01 117.98 117.64 3bz4 s PHE 118 Ca 0.15 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.74 3bz4 s PHE 118 Cb -0.11 -0.88 0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3bz4 s PHE 118 CO 0.05 -0.31 1.08 -2.14 -0.10 0.00 0.00 175.22 173.80 3bz4 s PRO 119 N 1.34 2.46 0.33 0.24 0.02 -1.26 -2.22 135.00 135.92 3bz4 s PRO 119 Ca -0.04 1.07 -0.27 0.00 0.02 0.00 0.00 61.00 61.79 3bz4 s PRO 119 Cb -0.14 -1.93 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 3bz4 s PRO 119 CO -0.03 -1.47 1.01 -2.30 -0.33 0.00 0.00 177.00 173.88 3bz4 n PRO 120 N -3.40 1.38 -1.94 5.54 -0.02 -1.18 -4.87 135.00 130.52 3bz4 n PRO 120 Ca 0.08 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 3bz4 n PRO 120 Cb 0.53 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 32.11 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 -0.60 5.86 0.16 2.55 1.04 -1.26 -4.96 113.70 116.49 3bz4 s SER 121 Ca 0.60 1.67 -0.15 0.00 0.48 0.00 0.00 55.95 58.54 3bz4 s SER 121 Cb -0.65 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.01 3bz4 s SER 121 CO 0.59 -1.12 1.81 0.77 0.98 0.00 0.00 173.24 176.28 3bz4 h SER 122 N 0.08 0.46 -0.74 7.02 4.64 -2.01 -2.66 113.55 120.35 3bz4 h SER 122 Ca -0.46 -0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.99 3bz4 h SER 122 Cb 1.21 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 63.06 3bz4 h SER 122 CO 0.58 0.33 -0.30 -0.33 -0.87 0.00 0.00 176.83 176.25 3bz4 h GLU 123 N 0.56 -0.07 -0.62 4.77 3.07 -2.00 -2.12 114.58 118.17 3bz4 h GLU 123 Ca 0.17 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 3bz4 h GLU 123 Cb -0.03 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3bz4 h GLU 123 CO -0.06 -0.05 0.22 0.37 -1.40 0.00 0.00 179.01 178.10 3bz4 h GLN 124 N -0.08 0.92 -0.75 2.33 4.15 -1.79 -3.11 115.11 116.78 3bz4 h GLN 124 Ca 0.30 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 3bz4 h GLN 124 Cb 0.57 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 3bz4 h GLN 124 CO -0.79 0.77 0.27 -0.07 -1.93 0.00 0.00 178.83 177.09 3bz4 h LEU 125 N 0.90 1.05 -1.53 -2.39 3.38 -1.31 -0.29 115.31 115.12 3bz4 h LEU 125 Ca 0.21 -0.18 0.20 0.00 0.09 0.00 0.00 57.88 58.21 3bz4 h LEU 125 Cb 0.21 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3bz4 h LEU 125 CO -0.01 0.95 0.59 0.74 0.09 0.00 0.00 178.44 180.80 3bz4 h THR 126 N 1.10 0.67 0.00 0.22 2.02 -1.52 -0.49 112.91 114.92 3bz4 h THR 126 Ca 0.25 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3bz4 h THR 126 Cb 0.25 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3bz4 h THR 126 CO -0.02 0.07 0.00 -1.54 0.37 0.00 0.00 175.52 174.41 3bz4 n SER 127 N -4.50 0.27 0.00 4.18 3.41 -0.12 -4.87 113.62 111.99 3bz4 n SER 127 Ca 0.19 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 3bz4 n SER 127 Cb 0.70 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.27 0.49 3.60 5.00 0.00 -0.19 -5.07 105.19 108.75 3bz4 n GLY 128 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.79 1.88 -0.14 -0.02 0.00 -1.23 -1.87 107.32 104.15 3bz4 s GLY 129 Ca 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 44.72 42.84 3bz4 s GLY 129 CO 0.00 -1.85 0.25 0.00 0.00 0.00 0.00 173.10 171.50 3bz4 s ALA 130 N -2.45 -0.50 -0.19 3.20 0.00 0.13 -3.38 121.76 118.56 3bz4 s ALA 130 Ca 0.33 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 3bz4 s ALA 130 Cb -0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 3bz4 s ALA 130 CO 0.19 -0.74 -0.09 -1.12 0.00 0.00 0.00 175.76 174.00 3bz4 s SER 131 N 2.40 4.04 -0.18 0.00 0.01 -1.26 0.95 113.70 119.67 3bz4 s SER 131 Ca 0.03 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 3bz4 s SER 131 Cb -0.13 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 3bz4 s SER 131 CO -0.09 0.02 0.02 -0.69 0.41 0.00 0.00 173.24 172.91 3bz4 s VAL 132 N 1.20 4.32 -0.08 3.43 1.01 0.15 -3.11 120.40 127.32 3bz4 s VAL 132 Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3bz4 s VAL 132 Cb -0.14 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 3bz4 s VAL 132 CO -0.03 0.45 -0.22 -0.69 0.00 0.00 0.00 175.10 174.61 3bz4 s VAL 133 N 0.58 1.86 -0.13 2.92 1.01 -0.94 0.24 120.40 125.93 3bz4 s VAL 133 Ca 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3bz4 s VAL 133 Cb -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3bz4 s VAL 133 CO 0.02 0.52 -0.20 0.00 0.00 0.00 0.00 175.10 175.44 3bz4 s PHE 135 N 0.92 3.52 -0.46 0.00 0.08 -0.09 -0.74 117.98 121.21 3bz4 s PHE 135 Ca -0.06 0.50 0.04 0.00 0.12 0.00 0.00 56.93 57.53 3bz4 s PHE 135 Cb -0.15 -2.09 0.12 0.00 -0.57 0.00 0.00 43.02 40.33 3bz4 s PHE 135 CO -0.03 0.51 0.21 -0.51 -0.10 0.00 0.00 175.22 175.30 3bz4 s LEU 136 N -0.35 4.13 -0.08 -0.37 1.02 0.23 -1.45 118.68 121.80 3bz4 s LEU 136 Ca 0.13 -2.73 -0.04 0.00 0.02 0.00 0.00 54.13 51.51 3bz4 s LEU 136 Cb -0.12 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 3bz4 s LEU 136 CO 0.02 -0.27 0.09 0.20 0.02 0.00 0.00 176.35 176.41 3bz4 s ASN 137 N 0.11 5.88 -1.07 2.29 0.01 -0.03 -1.03 114.94 121.10 3bz4 s ASN 137 Ca 0.16 0.30 -0.03 0.00 -0.71 0.00 0.00 52.86 52.57 3bz4 s ASN 137 Cb -0.24 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 3bz4 s ASN 137 CO -0.03 0.37 0.92 0.59 -1.51 0.00 0.00 177.10 177.44 3bz4 n ASN 138 N 1.86 -4.73 -4.68 -1.22 4.13 -0.68 -0.95 115.26 108.99 3bz4 n ASN 138 Ca -0.18 -0.65 -0.23 0.00 1.68 0.00 0.00 54.58 55.20 3bz4 n ASN 138 Cb 0.54 -5.02 -0.07 0.00 -1.54 0.00 0.00 39.78 33.69 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 -3.36 2.66 -0.23 3.10 -0.12 0.28 -4.49 117.98 115.82 3bz4 s PHE 139 Ca 0.27 -0.35 -0.14 0.00 -0.05 0.00 0.00 56.93 56.66 3bz4 s PHE 139 Cb -0.03 -1.47 0.07 0.00 -0.63 0.00 0.00 43.02 40.95 3bz4 s PHE 139 CO 0.71 0.46 0.56 -0.47 -0.05 0.00 0.00 175.22 176.43 3bz4 s TYR 140 N -2.42 -0.83 0.99 3.49 6.14 -0.61 -0.30 117.35 123.80 3bz4 s TYR 140 Ca 0.35 1.73 -0.15 0.00 0.64 0.00 0.00 57.07 59.64 3bz4 s TYR 140 Cb -0.03 0.44 0.19 0.00 0.42 0.00 0.00 41.96 42.99 3bz4 s TYR 140 CO 0.21 -0.43 1.21 -1.25 0.64 0.00 0.00 175.55 175.92 3bz4 s PRO 141 N 1.40 0.47 0.47 4.97 0.04 -1.26 0.05 135.00 141.14 3bz4 s PRO 141 Ca -0.09 -0.08 0.20 0.00 0.04 0.00 0.00 61.00 61.07 3bz4 s PRO 141 Cb -0.06 -1.80 1.16 0.00 0.04 0.00 0.00 34.50 33.84 3bz4 s PRO 141 CO -0.15 -2.58 2.00 -0.22 0.04 0.00 0.00 177.00 176.10 3bz4 h LYS 142 N -1.77 0.00 -6.68 4.56 3.64 -1.98 -3.44 116.57 110.91 3bz4 h LYS 142 Ca -0.46 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.39 3bz4 h LYS 142 Cb 1.29 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.14 3bz4 h LYS 142 CO 0.47 0.18 0.63 -0.51 -2.27 0.00 0.00 179.45 177.94 3bz4 s ASP 143 N -6.62 6.94 -0.11 4.20 1.01 -1.26 -5.00 116.67 115.83 3bz4 s ASP 143 Ca -0.03 2.36 -0.30 0.00 0.71 0.00 0.00 52.55 55.29 3bz4 s ASP 143 Cb 0.14 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.56 3bz4 s ASP 143 CO 0.65 -0.49 0.83 -0.51 0.21 0.00 0.00 175.17 175.86 3bz4 s ILE 144 N 0.05 0.00 0.02 0.77 2.07 -1.26 -4.66 121.20 118.18 3bz4 s ILE 144 Ca 0.56 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.88 3bz4 s ILE 144 Cb -0.36 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.21 3bz4 s ILE 144 CO 0.38 0.00 -0.25 0.20 -1.91 0.00 0.00 174.94 173.36 3bz4 s ASN 145 N -1.07 2.94 -0.00 4.50 0.01 -0.53 -5.03 114.94 115.77 3bz4 s ASN 145 Ca -0.06 -0.52 0.06 0.00 -0.71 0.00 0.00 52.86 51.63 3bz4 s ASN 145 Cb -0.00 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.35 3bz4 s ASN 145 CO 0.06 0.26 -0.18 0.54 -1.51 0.00 0.00 177.10 176.28 3bz4 s VAL 146 N -0.70 1.38 -0.05 1.60 0.11 -1.26 -1.11 120.40 120.38 3bz4 s VAL 146 Ca 0.10 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.37 3bz4 s VAL 146 Cb -0.10 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 3bz4 s VAL 146 CO 0.01 0.34 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.26 3bz4 s LYS 147 N -0.54 1.37 -0.12 1.54 2.20 -0.04 -4.97 119.74 119.17 3bz4 s LYS 147 Ca 0.06 -0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 55.27 3bz4 s LYS 147 Cb -0.07 -1.19 -0.04 0.00 -1.51 0.00 0.00 37.83 35.02 3bz4 s LYS 147 CO -0.00 0.07 0.05 -1.58 -0.36 0.00 0.00 175.35 173.52 3bz4 s TRP 148 N 0.48 3.28 -0.04 4.03 0.52 -1.26 -0.28 118.94 125.67 3bz4 s TRP 148 Ca -0.09 0.22 0.03 0.00 0.02 0.00 0.00 56.10 56.27 3bz4 s TRP 148 Cb -0.13 -1.91 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 3bz4 s TRP 148 CO 0.02 0.43 -0.11 0.15 0.02 0.00 0.00 176.95 177.45 3bz4 s LYS 149 N -0.53 1.29 -0.19 4.98 1.02 -0.18 -1.05 119.74 125.09 3bz4 s LYS 149 Ca 0.10 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 3bz4 s LYS 149 Cb -0.12 -1.15 -0.00 0.00 -0.52 0.00 0.00 37.83 36.04 3bz4 s LYS 149 CO 0.02 0.12 -0.11 0.42 -0.92 0.00 0.00 175.35 174.88 3bz4 s ILE 150 N 0.27 2.89 -1.37 2.17 1.01 -0.26 -0.86 121.20 125.05 3bz4 s ILE 150 Ca -0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 3bz4 s ILE 150 Cb -0.11 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.10 3bz4 s ILE 150 CO 0.01 0.48 0.40 0.47 0.00 0.00 0.00 174.94 176.30 3bz4 n ASP 151 N 4.51 -1.58 0.00 3.58 8.00 -0.21 -1.21 116.55 129.64 3bz4 n ASP 151 Ca -0.19 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.13 3bz4 n ASP 151 Cb 0.51 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 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 -2.18 0.59 3.53 0.44 0.00 -1.26 -4.97 105.19 101.34 3bz4 n GLY 152 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.52 5.20 0.33 1.61 0.01 -0.35 -5.00 113.70 112.98 3bz4 s SER 153 Ca 0.00 -0.08 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 3bz4 s SER 153 Cb 0.00 -1.89 -0.11 0.00 0.21 0.00 0.00 66.02 64.23 3bz4 s SER 153 CO 0.00 0.11 1.52 -0.70 0.41 0.00 0.00 173.24 174.57 3bz4 s GLU 154 N 0.76 4.14 -0.17 12.44 2.12 -1.26 -1.10 118.70 135.63 3bz4 s GLU 154 Ca 0.02 2.53 0.01 0.00 0.36 0.00 0.00 54.97 57.89 3bz4 s GLU 154 Cb -0.14 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3bz4 s GLU 154 CO 0.02 -0.54 -0.18 0.50 -0.54 0.00 0.00 175.26 174.51 3bz4 s ARG 155 N -1.31 3.06 -0.01 4.30 6.06 -0.22 -4.88 118.95 125.96 3bz4 s ARG 155 Ca 0.57 -0.81 0.05 0.00 -2.50 0.00 0.00 55.73 53.05 3bz4 s ARG 155 Cb -0.46 -2.58 -0.08 0.00 0.06 0.00 0.00 34.95 31.89 3bz4 s ARG 155 CO 0.55 -0.13 0.15 1.04 -2.50 0.00 0.00 175.30 174.40 3bz4 n GLN 156 N 4.43 1.60 -3.21 5.12 6.02 -1.26 -4.40 117.38 125.68 3bz4 n GLN 156 Ca -0.20 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.37 3bz4 n GLN 156 Cb 0.51 -1.02 -0.06 0.00 1.02 0.00 0.00 30.24 30.69 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 -2.30 7.13 0.00 1.08 0.02 -1.26 -4.46 114.94 115.14 3bz4 s ASN 157 Ca -0.01 1.35 0.00 0.00 -1.02 0.00 0.00 52.86 53.18 3bz4 s ASN 157 Cb 0.04 -2.39 0.00 0.00 0.02 0.00 0.00 41.25 38.92 3bz4 s ASN 157 CO 0.22 0.25 0.00 0.61 0.02 0.00 0.00 177.10 178.20 3bz4 n GLY 158 N 1.63 0.69 3.55 0.66 0.00 -1.26 -4.87 105.19 105.60 3bz4 n GLY 158 Ca -0.09 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 4.44 -0.05 1.61 1.01 -1.26 -0.80 120.40 123.35 3bz4 s VAL 159 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3bz4 s VAL 159 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3bz4 s VAL 159 CO 0.00 0.43 -0.14 -0.76 0.00 0.00 0.00 175.10 174.64 3bz4 s LEU 160 N 0.70 1.78 0.10 3.92 1.43 -0.57 -4.98 118.68 121.07 3bz4 s LEU 160 Ca 0.02 -0.30 0.09 0.00 -1.03 0.00 0.00 54.13 52.91 3bz4 s LEU 160 Cb -0.14 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 3bz4 s LEU 160 CO 0.02 0.09 -0.22 0.20 0.23 0.00 0.00 176.35 176.67 3bz4 s ASN 161 N 0.32 3.63 -0.03 2.29 0.02 -1.26 -1.06 114.94 118.86 3bz4 s ASN 161 Ca -0.08 -0.59 -0.01 0.00 -1.02 0.00 0.00 52.86 51.16 3bz4 s ASN 161 Cb -0.13 -0.44 0.03 0.00 0.02 0.00 0.00 41.25 40.73 3bz4 s ASN 161 CO 0.03 0.20 0.05 -0.55 0.02 0.00 0.00 177.10 176.84 3bz4 s SER 162 N -1.90 0.02 -0.08 -1.22 0.15 -0.28 -4.99 113.70 105.42 3bz4 s SER 162 Ca 0.16 0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.85 3bz4 s SER 162 Cb -0.10 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 3bz4 s SER 162 CO 0.07 -0.11 0.08 0.26 1.20 0.00 0.00 173.24 174.75 3bz4 s TRP 163 N 0.88 3.38 0.72 3.44 0.51 -1.26 -1.10 118.94 125.51 3bz4 s TRP 163 Ca -0.07 0.33 -0.11 0.00 -2.12 0.00 0.00 56.10 54.13 3bz4 s TRP 163 Cb -0.10 -1.84 0.02 0.00 -0.81 0.00 0.00 33.47 30.74 3bz4 s TRP 163 CO -0.03 0.60 1.10 0.95 -0.51 0.00 0.00 176.95 179.06 3bz4 s THR 164 N -1.03 3.42 0.82 2.01 -4.23 -0.26 -5.00 115.64 111.38 3bz4 s THR 164 Ca 0.17 0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 61.03 3bz4 s THR 164 Cb -0.12 -3.42 0.09 0.00 1.34 0.00 0.00 72.50 70.39 3bz4 s THR 164 CO 0.06 -0.60 1.09 -1.81 -0.54 0.00 0.00 174.62 172.82 3bz4 s ASP 165 N -4.29 4.08 0.23 3.99 1.01 -1.26 -4.65 116.67 115.78 3bz4 s ASP 165 Ca 0.59 1.68 -0.32 0.00 0.71 0.00 0.00 52.55 55.21 3bz4 s ASP 165 Cb -0.12 -2.37 -0.13 0.00 1.01 0.00 0.00 42.92 41.31 3bz4 s ASP 165 CO 0.52 -2.28 1.54 1.67 0.21 0.00 0.00 175.17 176.83 3bz4 n GLN 166 N -3.67 2.32 -2.34 8.23 7.27 -1.26 -4.75 117.38 123.17 3bz4 n GLN 166 Ca 0.08 0.83 -0.41 0.00 0.07 0.00 0.00 57.00 57.57 3bz4 n GLN 166 Cb 0.54 -2.57 -0.03 0.00 2.41 0.00 0.00 30.24 30.58 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 0.62 7.04 0.03 1.69 2.15 0.11 -4.93 116.67 123.39 3bz4 s ASP 167 Ca 0.71 2.24 0.18 0.00 0.43 0.00 0.00 52.55 56.11 3bz4 s ASP 167 Cb -0.60 -2.60 0.77 0.00 -0.30 0.00 0.00 42.92 40.18 3bz4 s ASP 167 CO 0.44 -0.42 1.58 -1.20 -0.17 0.00 0.00 175.17 175.40 3bz4 n SER 168 N 2.72 0.09 -0.08 -0.34 7.64 -1.26 -1.17 113.62 121.22 3bz4 n SER 168 Ca 0.05 0.52 -0.10 0.00 1.01 0.00 0.00 58.87 60.35 3bz4 n SER 168 Cb 0.44 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 3bz4 n SER 168 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3bz4 n LYS 169 N -1.60 0.88 0.00 1.43 3.00 -1.26 -2.26 118.16 118.35 3bz4 n LYS 169 Ca 0.04 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 3bz4 n LYS 169 Cb 0.21 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.89 3bz4 n LYS 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3bz4 n ASP 170 N -2.85 0.76 -1.57 3.14 5.68 -1.24 -4.87 116.55 115.59 3bz4 n ASP 170 Ca -0.28 -1.29 -0.19 0.00 -0.50 0.00 0.00 54.79 52.53 3bz4 n ASP 170 Cb 0.87 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.79 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 -0.14 -5.28 -4.97 -1.12 7.64 -0.31 -4.96 113.62 104.48 3bz4 n SER 171 Ca 0.00 0.36 -0.20 0.00 1.01 0.00 0.00 58.87 60.05 3bz4 n SER 171 Cb 0.29 -4.40 0.05 0.00 -1.01 0.00 0.00 64.21 59.14 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 2.46 0.25 0.44 -4.23 -1.26 -4.64 115.64 105.92 3bz4 s THR 172 Ca 0.00 -0.90 0.10 0.00 -1.18 0.00 0.00 61.69 59.71 3bz4 s THR 172 Cb 0.00 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.23 3bz4 s THR 172 CO 0.00 0.00 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.67 3bz4 s TYR 173 N -2.65 2.53 0.18 3.99 1.51 0.59 -0.71 117.35 122.78 3bz4 s TYR 173 Ca 0.60 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 3bz4 s TYR 173 Cb -0.07 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 3bz4 s TYR 173 CO 0.38 0.63 0.00 -1.12 -1.11 0.00 0.00 175.55 174.33 3bz4 s SER 174 N -3.41 1.28 -0.14 2.29 0.01 -1.26 -0.55 113.70 111.92 3bz4 s SER 174 Ca 0.29 -1.18 -0.10 0.00 1.31 0.00 0.00 55.95 56.27 3bz4 s SER 174 Cb -0.06 0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.31 3bz4 s SER 174 CO 0.17 -0.56 0.35 -0.32 0.41 0.00 0.00 173.24 173.28 3bz4 s MET 175 N -3.91 0.37 -0.08 12.44 1.75 -0.20 -1.10 119.30 128.58 3bz4 s MET 175 Ca 0.25 0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 55.23 3bz4 s MET 175 Cb 0.06 0.10 -0.03 0.00 2.84 0.00 0.00 34.83 37.79 3bz4 s MET 175 CO 0.05 -0.09 0.02 -1.54 -0.65 0.00 0.00 175.02 172.80 3bz4 s SER 176 N 0.64 5.36 -0.09 1.11 1.04 -0.26 -0.60 113.70 120.90 3bz4 s SER 176 Ca -0.04 0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.58 3bz4 s SER 176 Cb -0.05 -1.53 0.01 0.00 0.10 0.00 0.00 66.02 64.55 3bz4 s SER 176 CO -0.04 0.37 -0.17 -0.55 0.98 0.00 0.00 173.24 173.82 3bz4 s SER 177 N -1.00 2.40 -0.11 7.02 0.15 0.08 -1.12 113.70 121.12 3bz4 s SER 177 Ca 0.14 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.39 3bz4 s SER 177 Cb -0.11 -1.10 0.02 0.00 -1.71 0.00 0.00 66.02 63.11 3bz4 s SER 177 CO 0.04 0.08 -0.15 -0.89 1.20 0.00 0.00 173.24 173.51 3bz4 s THR 178 N 0.60 1.52 -0.29 6.45 2.01 -0.23 -0.63 115.64 125.07 3bz4 s THR 178 Ca -0.15 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 3bz4 s THR 178 Cb -0.16 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 3bz4 s THR 178 CO 0.05 0.45 0.12 -0.22 -0.69 0.00 0.00 174.62 174.32 3bz4 s LEU 179 N 1.04 3.90 -0.22 4.42 2.96 0.14 -1.52 118.68 129.40 3bz4 s LEU 179 Ca -0.05 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 3bz4 s LEU 179 Cb -0.15 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3bz4 s LEU 179 CO -0.03 -0.15 0.03 0.42 -1.32 0.00 0.00 176.35 175.30 3bz4 s THR 180 N 1.60 4.08 0.34 3.68 -4.23 0.02 0.32 115.64 121.44 3bz4 s THR 180 Ca 0.05 -0.26 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 3bz4 s THR 180 Cb -0.17 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 3bz4 s THR 180 CO 0.05 0.40 0.10 -0.76 -0.54 0.00 0.00 174.62 173.87 3bz4 s LEU 181 N 1.23 1.94 0.73 4.79 1.43 0.27 -4.77 118.68 124.30 3bz4 s LEU 181 Ca 0.04 -1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 51.52 3bz4 s LEU 181 Cb -0.15 -0.13 0.03 0.00 0.03 0.00 0.00 46.19 45.97 3bz4 s LEU 181 CO 0.02 -0.78 1.09 0.42 0.23 0.00 0.00 176.35 177.32 3bz4 s THR 182 N -3.40 3.53 0.53 5.49 -4.23 -1.26 0.19 115.64 116.48 3bz4 s THR 182 Ca 0.32 0.50 0.22 0.00 -1.18 0.00 0.00 61.69 61.55 3bz4 s THR 182 Cb 0.06 -3.37 0.35 0.00 1.34 0.00 0.00 72.50 70.88 3bz4 s THR 182 CO 0.15 -0.65 2.05 0.50 -0.54 0.00 0.00 174.62 176.14 3bz4 h LYS 183 N -0.78 0.00 0.12 3.99 3.64 -1.58 -2.67 116.57 119.29 3bz4 h LYS 183 Ca -0.45 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3bz4 h LYS 183 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3bz4 h LYS 183 CO 0.61 0.00 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.29 3bz4 h ASP 184 N 0.00 -0.14 -0.91 4.20 3.32 -1.92 -1.42 116.42 119.55 3bz4 h ASP 184 Ca 0.16 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.33 3bz4 h ASP 184 Cb 0.64 0.04 -0.13 0.00 0.22 0.00 0.00 39.33 40.09 3bz4 h ASP 184 CO -0.00 -0.01 -0.44 -0.62 -1.72 0.00 0.00 179.24 176.46 3bz4 n GLU 185 N -2.96 -0.30 -0.16 3.56 1.02 -1.23 0.11 120.64 120.69 3bz4 n GLU 185 Ca -0.02 1.38 -0.04 0.00 -0.02 0.00 0.00 57.16 58.47 3bz4 n GLU 185 Cb 0.06 -2.04 0.03 0.00 -0.02 0.00 0.00 31.44 29.47 3bz4 n GLU 185 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3bz4 h TYR 186 N 0.00 -0.39 0.00 -0.32 3.20 -1.57 -1.92 116.97 115.97 3bz4 h TYR 186 Ca 0.24 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3bz4 h TYR 186 Cb 0.46 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3bz4 h TYR 186 CO -0.86 -0.26 -0.07 0.93 -1.64 0.00 0.00 178.16 176.27 3bz4 h GLU 187 N -0.05 0.00 -0.00 1.82 5.08 0.90 -3.11 114.58 119.22 3bz4 h GLU 187 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3bz4 h GLU 187 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3bz4 h GLU 187 CO -0.54 0.07 -0.03 0.54 -1.00 0.00 0.00 179.01 178.05 3bz4 n ARG 188 N -3.13 0.79 -4.42 2.33 1.74 0.31 -4.80 116.66 109.48 3bz4 n ARG 188 Ca 0.03 -0.13 -0.21 0.00 -0.77 0.00 0.00 57.85 56.77 3bz4 n ARG 188 Cb 0.49 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.30 1.88 0.00 -1.55 3.76 -1.06 -5.05 115.29 110.98 3bz4 s HIS 189 Ca 0.36 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 3bz4 s HIS 189 Cb 0.21 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.70 3bz4 s HIS 189 CO 0.42 -0.02 0.00 -1.71 -0.85 0.00 0.00 174.74 172.58 3bz4 n ASN 190 N -0.63 3.82 -4.58 1.40 5.15 -1.26 -4.86 115.26 114.30 3bz4 n ASN 190 Ca -0.02 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.59 3bz4 n ASN 190 Cb 0.66 0.07 -0.11 0.00 -0.53 0.00 0.00 39.78 39.88 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 -3.74 5.72 -0.10 1.20 0.15 -1.26 -0.49 113.70 115.17 3bz4 s SER 191 Ca 0.00 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.67 3bz4 s SER 191 Cb 0.00 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 3bz4 s SER 191 CO 0.00 0.04 -0.21 -0.31 1.20 0.00 0.00 173.24 173.95 3bz4 s TYR 192 N 1.22 2.37 -0.05 3.44 2.02 -0.28 -1.04 117.35 125.03 3bz4 s TYR 192 Ca 0.06 -1.01 0.01 0.00 -0.37 0.00 0.00 57.07 55.76 3bz4 s TYR 192 Cb -0.14 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3bz4 s TYR 192 CO 0.05 -0.43 -0.06 0.99 -1.57 0.00 0.00 175.55 174.52 3bz4 s THR 193 N 0.51 0.66 -0.19 -0.71 2.01 -0.04 -1.14 115.64 116.73 3bz4 s THR 193 Ca -0.16 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 3bz4 s THR 193 Cb -0.17 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 3bz4 s THR 193 CO 0.06 0.25 -0.00 0.00 -0.69 0.00 0.00 174.62 174.23 3bz4 s GLU 195 N 0.89 3.10 -0.27 0.00 2.02 0.62 -0.89 118.70 124.17 3bz4 s GLU 195 Ca 0.01 -0.80 -0.07 0.00 0.02 0.00 0.00 54.97 54.13 3bz4 s GLU 195 Cb -0.14 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 3bz4 s GLU 195 CO 0.02 -0.06 0.07 0.00 0.02 0.00 0.00 175.26 175.30 3bz4 s ALA 196 N 0.98 3.09 -0.22 5.21 0.00 0.56 -0.86 121.76 130.51 3bz4 s ALA 196 Ca -0.03 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 50.57 3bz4 s ALA 196 Cb -0.15 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 3bz4 s ALA 196 CO -0.04 -0.71 0.03 0.99 0.00 0.00 0.00 175.76 176.03 3bz4 s THR 197 N 1.55 4.13 0.05 0.00 2.01 -0.27 -0.37 115.64 122.74 3bz4 s THR 197 Ca 0.05 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.81 3bz4 s THR 197 Cb -0.16 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3bz4 s THR 197 CO 0.03 0.40 -0.05 -2.28 -0.69 0.00 0.00 174.62 172.02 3bz4 s HIS 198 N 1.21 0.57 -0.11 4.92 2.46 -1.26 -1.45 115.29 121.63 3bz4 s HIS 198 Ca 0.04 -0.77 0.27 0.00 0.47 0.00 0.00 55.06 55.07 3bz4 s HIS 198 Cb -0.14 -0.37 1.34 0.00 -0.13 0.00 0.00 32.58 33.27 3bz4 s HIS 198 CO 0.02 -0.21 1.83 1.57 -2.47 0.00 0.00 174.74 175.48 3bz4 h LYS 199 N 3.79 0.00 0.00 2.88 2.10 -1.95 -2.19 116.57 121.21 3bz4 h LYS 199 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 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 0.54 0.00 0.00 1.79 -2.00 0.00 0.00 179.45 179.78 3bz4 h THR 200 N 0.00 0.00 -3.01 0.07 1.35 -1.91 -3.43 112.91 105.98 3bz4 h THR 200 Ca 0.00 -0.20 -0.09 0.00 -0.55 0.00 0.00 66.41 65.57 3bz4 h THR 200 Cb 0.18 1.11 -0.18 0.00 -1.73 0.00 0.00 68.15 67.54 3bz4 h THR 200 CO 0.00 0.00 -0.16 -0.55 -0.25 0.00 0.00 175.52 174.56 3bz4 s SER 201 N -5.12 -0.25 0.37 5.36 0.15 -0.82 -5.01 113.70 108.37 3bz4 s SER 201 Ca -0.02 0.04 0.19 0.00 0.70 0.00 0.00 55.95 56.86 3bz4 s SER 201 Cb 0.10 0.39 0.59 0.00 -1.71 0.00 0.00 66.02 65.39 3bz4 s SER 201 CO 0.43 -0.59 1.69 0.71 1.20 0.00 0.00 173.24 176.68 3bz4 h THR 202 N 3.30 0.81 -3.36 6.45 1.35 -1.84 -3.40 112.91 116.22 3bz4 h THR 202 Ca -0.31 -1.59 -0.57 0.00 -0.55 0.00 0.00 66.41 63.39 3bz4 h THR 202 Cb 1.19 2.01 -0.07 0.00 -1.73 0.00 0.00 68.15 69.55 3bz4 h THR 202 CO 0.43 0.36 0.14 -0.44 -0.25 0.00 0.00 175.52 175.76 3bz4 s SER 203 N -6.39 6.91 0.52 5.36 0.01 -1.26 -5.02 113.70 113.83 3bz4 s SER 203 Ca 0.01 1.10 -0.21 0.00 1.31 0.00 0.00 55.95 58.16 3bz4 s SER 203 Cb 0.10 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.87 3bz4 s SER 203 CO 0.69 -0.20 1.21 -2.16 0.41 0.00 0.00 173.24 173.19 3bz4 s PRO 204 N 1.27 3.37 -0.21 12.44 0.04 -1.26 -4.84 135.00 145.80 3bz4 s PRO 204 Ca 0.35 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 3bz4 s PRO 204 Cb -0.17 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 3bz4 s PRO 204 CO 0.15 -0.90 0.72 0.42 0.04 0.00 0.00 177.00 177.43 3bz4 s ILE 205 N -1.55 4.94 -0.14 0.56 1.01 0.50 -4.87 121.20 121.66 3bz4 s ILE 205 Ca 0.70 1.36 -0.00 0.00 0.00 0.00 0.00 60.65 62.71 3bz4 s ILE 205 Cb -0.31 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 3bz4 s ILE 205 CO 0.35 0.04 -0.13 -0.69 0.00 0.00 0.00 174.94 174.52 3bz4 s VAL 206 N 2.24 3.02 0.02 2.92 1.01 -1.26 -0.33 120.40 128.02 3bz4 s VAL 206 Ca 0.32 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3bz4 s VAL 206 Cb -0.16 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3bz4 s VAL 206 CO 0.10 0.52 -0.17 -0.54 0.00 0.00 0.00 175.10 175.01 3bz4 s LYS 207 N 0.46 1.22 0.05 2.72 -0.14 -0.07 -5.01 119.74 118.98 3bz4 s LYS 207 Ca -0.09 -0.73 -0.07 0.00 -1.36 0.00 0.00 55.97 53.71 3bz4 s LYS 207 Cb -0.16 -1.24 -0.01 0.00 -1.68 0.00 0.00 37.83 34.75 3bz4 s LYS 207 CO 0.05 0.32 0.14 -1.12 -0.76 0.00 0.00 175.35 173.98 3bz4 s SER 208 N -0.82 0.14 0.06 2.83 0.01 -1.26 -0.22 113.70 114.44 3bz4 s SER 208 Ca 0.05 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 3bz4 s SER 208 Cb -0.07 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 3bz4 s SER 208 CO 0.01 -0.60 0.01 0.72 0.41 0.00 0.00 173.24 173.79 3bz4 s PHE 209 N -3.09 0.45 -0.20 2.43 -0.12 -0.30 -5.01 117.98 112.15 3bz4 s PHE 209 Ca -0.01 -0.97 -0.06 0.00 -0.05 0.00 0.00 56.93 55.84 3bz4 s PHE 209 Cb 0.02 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 3bz4 s PHE 209 CO -0.07 -0.41 0.03 -0.80 -0.05 0.00 0.00 175.22 173.93 3bz4 s ASN 210 N -2.87 5.16 0.00 1.98 0.01 -1.26 -1.13 114.94 116.83 3bz4 s ASN 210 Ca 0.06 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 3bz4 s ASN 210 Cb 0.07 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.84 3bz4 s ASN 210 CO -0.10 0.10 0.34 -1.14 -1.51 0.00 0.00 177.10 174.79