#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gaz s LYS 3 N 0.00 2.59 0.14 3.69 1.02 -0.24 -4.94 119.74 122.00 2gaz s LYS 3 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 2gaz s LYS 3 Cb 0.00 -2.53 -0.07 0.00 -0.52 0.00 0.00 37.83 34.72 2gaz s LYS 3 CO 0.00 0.61 0.95 0.99 -0.92 0.00 0.00 175.35 176.98 2gaz s THR 4 N -0.99 4.40 0.31 2.17 2.01 -1.26 -2.41 115.64 119.87 2gaz s THR 4 Ca 0.17 2.06 -0.29 0.00 0.31 0.00 0.00 61.69 63.94 2gaz s THR 4 Cb -0.11 -4.32 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 2gaz s THR 4 CO 0.07 0.37 1.25 -2.16 -0.69 0.00 0.00 174.62 173.45 2gaz s PRO 5 N -0.31 4.44 -0.04 4.92 0.04 -1.26 -4.10 135.00 138.69 2gaz s PRO 5 Ca 0.45 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 63.55 2gaz s PRO 5 Cb -0.24 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2gaz s PRO 5 CO 0.30 -0.07 0.11 -0.65 0.04 0.00 0.00 177.00 176.73 2gaz s GLN 6 N -1.60 3.22 -0.12 4.56 -1.52 0.09 -4.95 119.66 119.34 2gaz s GLN 6 Ca 0.48 -0.37 0.01 0.00 -1.95 0.00 0.00 55.36 53.53 2gaz s GLN 6 Cb -0.37 -2.97 0.02 0.00 -0.22 0.00 0.00 33.01 29.46 2gaz s GLN 6 CO 0.49 0.69 -0.14 0.42 -0.25 0.00 0.00 175.29 176.50 2gaz s ILE 7 N -1.16 1.42 -0.17 1.08 1.01 -1.26 -1.24 121.20 120.87 2gaz s ILE 7 Ca 0.21 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2gaz s ILE 7 Cb -0.12 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.04 2gaz s ILE 7 CO 0.12 0.43 -0.20 -1.10 0.00 0.00 0.00 174.94 174.19 2gaz s GLN 8 N 1.22 2.98 -0.22 2.79 -0.21 -0.70 -4.98 119.66 120.54 2gaz s GLN 8 Ca -0.02 -0.83 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 2gaz s GLN 8 Cb -0.14 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 2gaz s GLN 8 CO -0.05 -0.19 -0.02 0.08 -2.12 0.00 0.00 175.29 173.00 2gaz s VAL 9 N 1.24 3.62 0.06 1.09 1.01 -1.26 -1.09 120.40 125.06 2gaz s VAL 9 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2gaz s VAL 9 Cb -0.13 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 2gaz s VAL 9 CO -0.12 0.41 0.18 -0.72 0.00 0.00 0.00 175.10 174.85 2gaz s TYR 10 N 1.42 0.12 0.18 5.22 1.13 -0.70 -4.71 117.35 120.01 2gaz s TYR 10 Ca 0.05 -0.46 -0.06 0.00 -1.41 0.00 0.00 57.07 55.19 2gaz s TYR 10 Cb -0.14 -0.06 -0.06 0.00 -1.10 0.00 0.00 41.96 40.59 2gaz s TYR 10 CO -0.01 -0.48 0.44 -1.54 -2.51 0.00 0.00 175.55 171.45 2gaz s SER 11 N -2.47 6.53 0.05 -0.18 1.04 -1.26 0.48 113.70 117.88 2gaz s SER 11 Ca -0.00 0.69 -0.19 0.00 0.48 0.00 0.00 55.95 56.92 2gaz s SER 11 Cb 0.02 -2.13 -0.14 0.00 0.10 0.00 0.00 66.02 63.87 2gaz s SER 11 CO -0.07 0.00 1.35 -0.09 0.98 0.00 0.00 173.24 175.41 2gaz h ARG 12 N 2.66 0.42 -6.11 4.02 9.65 -1.04 -3.46 114.38 120.52 2gaz h ARG 12 Ca -0.46 -0.22 -0.58 0.00 -1.10 0.00 0.00 59.98 57.61 2gaz h ARG 12 Cb 1.17 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.65 2gaz h ARG 12 CO 0.71 0.79 -0.66 -1.01 2.80 0.00 0.00 179.97 182.60 2gaz s HIS 13 N -4.29 2.53 -0.28 2.20 3.76 -1.26 -5.04 115.29 112.91 2gaz s HIS 13 Ca -0.14 -0.35 -0.40 0.00 -0.15 0.00 0.00 55.06 54.02 2gaz s HIS 13 Cb 0.06 -1.29 -0.15 0.00 1.11 0.00 0.00 32.58 32.31 2gaz s HIS 13 CO 0.77 0.57 1.80 -2.30 -0.85 0.00 0.00 174.74 174.73 2gaz n PRO 14 N -0.86 1.19 -1.77 8.40 -0.02 -1.26 -4.89 135.00 135.79 2gaz n PRO 14 Ca -0.05 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.46 2gaz n PRO 14 Cb 0.61 -2.16 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 2gaz n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2gaz n PRO 15 N 5.76 2.26 -3.66 0.52 -0.04 -1.26 -5.03 135.00 133.55 2gaz n PRO 15 Ca 0.28 0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 64.45 2gaz n PRO 15 Cb 0.14 -2.65 -0.08 0.00 -0.04 0.00 0.00 33.50 30.87 2gaz n PRO 15 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2gaz s GLU 16 N -2.47 0.63 0.13 0.54 -1.05 -1.26 -5.11 118.70 110.10 2gaz s GLU 16 Ca 0.61 0.99 -0.31 0.00 -0.15 0.00 0.00 54.97 56.11 2gaz s GLU 16 Cb -0.45 0.16 -0.10 0.00 -0.44 0.00 0.00 34.13 33.31 2gaz s GLU 16 CO 0.57 -0.13 1.62 -0.80 0.95 0.00 0.00 175.26 177.48 2gaz s ASN 17 N 1.15 6.57 0.00 0.83 0.01 -1.26 -1.81 114.94 120.43 2gaz s ASN 17 Ca -0.07 2.60 0.00 0.00 -0.71 0.00 0.00 52.86 54.68 2gaz s ASN 17 Cb -0.06 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.02 2gaz s ASN 17 CO -0.11 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.22 2gaz n GLY 18 N 3.88 2.84 3.59 0.66 0.00 -0.54 -4.99 105.19 110.63 2gaz n GLY 18 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2gaz n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gaz s LYS 19 N -0.95 3.96 0.09 1.61 -0.14 -0.75 -4.97 119.74 118.59 2gaz s LYS 19 Ca 0.00 -0.27 -0.25 0.00 -1.36 0.00 0.00 55.97 54.09 2gaz s LYS 19 Cb 0.00 -3.66 -0.14 0.00 -1.68 0.00 0.00 37.83 32.35 2gaz s LYS 19 CO 0.00 -0.19 0.56 -2.30 -0.76 0.00 0.00 175.35 172.67 2gaz n PRO 20 N 5.08 0.00 -3.96 -1.68 -0.02 -1.26 -4.33 135.00 128.83 2gaz n PRO 20 Ca -0.13 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.23 2gaz n PRO 20 Cb 0.52 -0.92 -0.02 0.00 -0.02 0.00 0.00 33.50 33.07 2gaz n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2gaz s ASN 21 N -0.46 0.40 -0.08 2.55 3.84 0.63 -4.96 114.94 116.86 2gaz s ASN 21 Ca 0.57 -1.25 0.03 0.00 0.21 0.00 0.00 52.86 52.42 2gaz s ASN 21 Cb -0.81 0.73 0.01 0.00 -0.55 0.00 0.00 41.25 40.63 2gaz s ASN 21 CO 0.43 -1.44 -0.16 -0.63 -2.79 0.00 0.00 177.10 172.50 2gaz s ILE 22 N -2.90 1.47 -0.20 -5.21 1.01 -1.26 -0.90 121.20 113.21 2gaz s ILE 22 Ca 0.23 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 2gaz s ILE 22 Cb -0.03 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 2gaz s ILE 22 CO 0.15 0.43 0.11 -0.22 0.00 0.00 0.00 174.94 175.41 2gaz s LEU 23 N 0.54 4.07 -0.04 2.97 2.96 -0.47 -0.31 118.68 128.41 2gaz s LEU 23 Ca -0.16 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2gaz s LEU 23 Cb -0.17 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2gaz s LEU 23 CO 0.06 0.17 0.05 0.20 -1.32 0.00 0.00 176.35 175.50 2gaz s ASN 24 N 0.42 5.51 -0.12 3.68 0.01 0.18 -2.26 114.94 122.36 2gaz s ASN 24 Ca 0.06 0.14 0.01 0.00 -0.71 0.00 0.00 52.86 52.36 2gaz s ASN 24 Cb -0.12 -1.57 0.02 0.00 0.41 0.00 0.00 41.25 40.00 2gaz s ASN 24 CO -0.01 0.31 -0.12 0.00 -1.51 0.00 0.00 177.10 175.78 2gaz s TYR 26 N 1.37 2.16 -0.28 0.00 5.04 -0.25 0.17 117.35 125.57 2gaz s TYR 26 Ca 0.01 -1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 53.18 2gaz s TYR 26 Cb -0.13 -1.53 0.01 0.00 0.35 0.00 0.00 41.96 40.66 2gaz s TYR 26 CO -0.06 -0.70 0.03 0.08 -1.34 0.00 0.00 175.55 173.56 2gaz s VAL 27 N 1.48 3.58 0.36 3.14 1.01 -0.58 -1.72 120.40 127.67 2gaz s VAL 27 Ca -0.00 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2gaz s VAL 27 Cb -0.16 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 2gaz s VAL 27 CO -0.08 0.13 -0.01 0.42 0.00 0.00 0.00 175.10 175.56 2gaz s THR 28 N 1.44 1.80 0.00 3.92 -4.23 -0.38 -1.37 115.64 116.83 2gaz s THR 28 Ca 0.02 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2gaz s THR 28 Cb -0.17 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2gaz s THR 28 CO -0.00 -0.09 0.00 1.67 -0.54 0.00 0.00 174.62 175.66 2gaz n GLN 29 N -0.81 -0.33 -2.42 3.99 -0.06 -0.76 -0.73 117.38 116.27 2gaz n GLN 29 Ca -0.04 0.08 -0.26 0.00 -2.00 0.00 0.00 57.00 54.78 2gaz n GLN 29 Cb 0.66 -3.34 0.04 0.00 -4.06 0.00 0.00 30.24 23.53 2gaz n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 2gaz s PHE 30 N -2.28 3.19 -0.29 3.69 -0.71 -1.21 -4.22 117.98 116.15 2gaz s PHE 30 Ca 0.00 0.56 -0.20 0.00 -1.04 0.00 0.00 56.93 56.25 2gaz s PHE 30 Cb 0.00 -2.77 0.16 0.00 -1.21 0.00 0.00 43.02 39.20 2gaz s PHE 30 CO 0.00 -0.87 1.14 -1.58 -1.34 0.00 0.00 175.22 172.57 2gaz s HIS 31 N -2.99 -0.35 0.99 3.49 2.46 -1.01 -1.81 115.29 116.07 2gaz s HIS 31 Ca 0.54 0.75 -0.15 0.00 0.47 0.00 0.00 55.06 56.68 2gaz s HIS 31 Cb -0.11 0.32 0.18 0.00 -0.13 0.00 0.00 32.58 32.85 2gaz s HIS 31 CO 0.44 -0.17 1.18 -1.25 -2.47 0.00 0.00 174.74 172.47 2gaz s PRO 32 N 0.70 0.51 0.54 2.88 0.04 -1.26 -1.08 135.00 137.33 2gaz s PRO 32 Ca -0.02 0.04 0.34 0.00 0.04 0.00 0.00 61.00 61.41 2gaz s PRO 32 Cb -0.04 -1.79 1.46 0.00 0.04 0.00 0.00 34.50 34.17 2gaz s PRO 32 CO -0.12 -2.58 2.01 -1.35 0.04 0.00 0.00 177.00 175.00 2gaz h PRO 33 N -1.77 0.00 -6.76 0.56 0.11 -2.00 -3.44 132.00 118.69 2gaz h PRO 33 Ca -0.48 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.11 2gaz h PRO 33 Cb 1.30 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.46 2gaz h PRO 33 CO 0.50 0.00 0.70 -1.01 -0.21 0.00 0.00 178.00 177.98 2gaz s HIS 34 N -3.70 3.09 -0.23 0.65 3.76 -1.26 -4.99 115.29 112.62 2gaz s HIS 34 Ca 0.01 1.19 -0.28 0.00 -0.15 0.00 0.00 55.06 55.83 2gaz s HIS 34 Cb 0.09 -3.72 0.15 0.00 1.11 0.00 0.00 32.58 30.21 2gaz s HIS 34 CO 0.52 -2.23 1.13 -1.50 -0.85 0.00 0.00 174.74 171.81 2gaz s ILE 35 N -0.29 0.00 -0.19 0.60 2.07 -1.26 -4.61 121.20 117.53 2gaz s ILE 35 Ca 0.56 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.79 2gaz s ILE 35 Cb -0.40 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.20 2gaz s ILE 35 CO 0.45 0.00 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.63 2gaz s GLU 36 N -0.58 3.14 -0.23 3.50 2.12 -0.75 -5.01 118.70 120.90 2gaz s GLU 36 Ca 0.03 -0.76 -0.06 0.00 0.36 0.00 0.00 54.97 54.54 2gaz s GLU 36 Cb -0.02 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 2gaz s GLU 36 CO -0.04 -0.16 0.04 0.42 -0.54 0.00 0.00 175.26 174.97 2gaz s ILE 37 N 1.25 4.16 -0.11 -3.70 1.01 -1.26 -0.95 121.20 121.60 2gaz s ILE 37 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2gaz s ILE 37 Cb -0.14 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 2gaz s ILE 37 CO -0.08 0.38 -0.14 -1.10 0.00 0.00 0.00 174.94 174.01 2gaz s GLN 38 N 1.30 3.16 -0.13 2.79 -0.21 -0.11 -5.01 119.66 121.46 2gaz s GLN 38 Ca 0.04 -0.70 -0.12 0.00 0.02 0.00 0.00 55.36 54.61 2gaz s GLN 38 Cb -0.15 -2.56 -0.05 0.00 1.00 0.00 0.00 33.01 31.26 2gaz s GLN 38 CO 0.02 0.31 0.24 -1.64 -2.12 0.00 0.00 175.29 172.11 2gaz s MET 39 N 0.09 4.00 0.01 2.91 -1.94 -1.26 -0.26 119.30 122.85 2gaz s MET 39 Ca -0.06 0.03 0.08 0.00 -1.71 0.00 0.00 55.69 54.04 2gaz s MET 39 Cb -0.15 -3.34 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 2gaz s MET 39 CO 0.05 0.44 -0.26 -0.51 -0.01 0.00 0.00 175.02 174.73 2gaz s LEU 40 N -0.13 2.10 -0.19 -0.03 1.43 0.14 -0.02 118.68 121.98 2gaz s LEU 40 Ca 0.16 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 2gaz s LEU 40 Cb -0.13 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 2gaz s LEU 40 CO 0.04 0.29 -0.05 -0.75 0.23 0.00 0.00 176.35 176.11 2gaz s LYS 41 N -0.88 3.46 -1.39 1.70 2.20 0.13 -0.59 119.74 124.38 2gaz s LYS 41 Ca 0.11 -0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 54.94 2gaz s LYS 41 Cb -0.10 -2.92 0.18 0.00 -1.51 0.00 0.00 37.83 33.48 2gaz s LYS 41 CO 0.00 -0.00 0.44 0.09 -0.36 0.00 0.00 175.35 175.52 2gaz n ASN 42 N 4.22 -1.59 0.00 1.43 3.02 -0.65 0.78 115.26 122.47 2gaz n ASN 42 Ca -0.18 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 2gaz n ASN 42 Cb 0.52 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 2gaz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gaz n GLY 43 N -0.91 1.99 3.77 7.41 0.00 -1.26 -5.03 105.19 111.16 2gaz n GLY 43 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2gaz n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gaz s LYS 44 N -0.15 4.20 0.27 1.61 1.02 0.23 -5.03 119.74 121.90 2gaz s LYS 44 Ca 0.00 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.20 2gaz s LYS 44 Cb 0.00 -3.34 -0.10 0.00 -0.52 0.00 0.00 37.83 33.87 2gaz s LYS 44 CO 0.00 0.40 1.42 0.21 -0.92 0.00 0.00 175.35 176.45 2gaz s LYS 45 N -0.18 4.28 -0.04 1.68 2.20 -1.26 0.21 119.74 126.62 2gaz s LYS 45 Ca 0.26 2.29 -0.26 0.00 -0.36 0.00 0.00 55.97 57.90 2gaz s LYS 45 Cb -0.16 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 2gaz s LYS 45 CO 0.13 -0.39 0.83 0.42 -0.36 0.00 0.00 175.35 175.98 2gaz s ILE 46 N -0.22 4.96 0.02 5.43 1.01 0.97 -4.80 121.20 128.57 2gaz s ILE 46 Ca 0.57 1.72 -0.18 0.00 0.00 0.00 0.00 60.65 62.75 2gaz s ILE 46 Cb -0.42 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 37.79 2gaz s ILE 46 CO 0.45 0.20 1.07 -0.65 0.00 0.00 0.00 174.94 176.01 2gaz h PRO 47 N 6.81 -0.64 -0.99 2.79 0.11 -1.94 -3.37 132.00 134.76 2gaz h PRO 47 Ca -0.40 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 2gaz h PRO 47 Cb 1.20 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.44 2gaz h PRO 47 CO 0.76 -0.43 0.04 1.63 -0.21 0.00 0.00 178.00 179.79 2gaz n LYS 48 N -4.14 1.14 -1.85 1.05 5.02 -1.26 -4.93 118.16 113.18 2gaz n LYS 48 Ca -0.08 -0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 55.55 2gaz n LYS 48 Cb 0.26 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 2gaz n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gaz s VAL 49 N -0.43 3.32 0.03 -0.18 1.01 -1.26 -4.94 120.40 117.94 2gaz s VAL 49 Ca 0.04 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 2gaz s VAL 49 Cb 0.04 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2gaz s VAL 49 CO 0.01 -0.07 0.61 -1.61 0.00 0.00 0.00 175.10 174.04 2gaz s GLU 50 N 4.57 4.31 0.08 2.72 0.41 -0.68 -4.94 118.70 125.17 2gaz s GLU 50 Ca 0.82 0.78 0.07 0.00 -0.41 0.00 0.00 54.97 56.24 2gaz s GLU 50 Cb -0.35 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 28.65 2gaz s GLU 50 CO 0.35 0.44 -0.14 -1.64 -0.49 0.00 0.00 175.26 173.78 2gaz s MET 51 N -0.47 2.07 0.82 1.61 -1.94 -1.26 -1.20 119.30 118.92 2gaz s MET 51 Ca 0.31 -1.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.15 2gaz s MET 51 Cb -0.19 -2.25 0.09 0.00 2.01 0.00 0.00 34.83 34.49 2gaz s MET 51 CO 0.19 0.52 1.19 -1.54 -0.01 0.00 0.00 175.02 175.36 2gaz s SER 52 N -1.92 4.38 0.54 3.03 1.04 0.46 -5.00 113.70 116.23 2gaz s SER 52 Ca 0.18 0.71 -0.19 0.00 0.48 0.00 0.00 55.95 57.13 2gaz s SER 52 Cb -0.11 -1.17 -0.06 0.00 0.10 0.00 0.00 66.02 64.78 2gaz s SER 52 CO 0.10 -1.97 1.12 -1.81 0.98 0.00 0.00 173.24 171.66 2gaz s ASP 53 N -4.61 5.77 0.46 7.02 1.01 -1.26 -4.75 116.67 120.31 2gaz s ASP 53 Ca 0.63 2.15 -0.21 0.00 0.71 0.00 0.00 52.55 55.83 2gaz s ASP 53 Cb -0.10 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.15 2gaz s ASP 53 CO 0.49 -1.18 1.00 -0.32 0.21 0.00 0.00 175.17 175.37 2gaz s MET 54 N -3.29 3.97 0.26 8.23 1.75 -1.26 -4.76 119.30 124.20 2gaz s MET 54 Ca 0.72 1.27 -0.00 0.00 -1.25 0.00 0.00 55.69 56.43 2gaz s MET 54 Cb -0.23 -2.13 0.00 0.00 2.84 0.00 0.00 34.83 35.31 2gaz s MET 54 CO 0.26 -0.27 0.34 0.45 -0.65 0.00 0.00 175.02 175.16 2gaz n SER 55 N -0.82 -0.95 -3.80 1.11 2.88 -1.10 -5.02 113.62 105.92 2gaz n SER 55 Ca 0.08 -2.46 -0.11 0.00 -1.33 0.00 0.00 58.87 55.05 2gaz n SER 55 Cb 0.53 1.81 -0.08 0.00 -0.75 0.00 0.00 64.21 65.72 2gaz n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2gaz s PHE 56 N -3.36 -0.03 0.75 0.66 -0.12 -1.26 -1.70 117.98 112.92 2gaz s PHE 56 Ca 0.23 -0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 56.96 2gaz s PHE 56 Cb -0.00 0.04 0.15 0.00 -0.63 0.00 0.00 43.02 42.57 2gaz s PHE 56 CO 0.17 -0.47 1.03 -1.54 -0.05 0.00 0.00 175.22 174.36 2gaz s SER 57 N -2.08 4.16 0.59 1.98 1.04 -0.87 -4.90 113.70 113.61 2gaz s SER 57 Ca -0.05 -0.47 0.28 0.00 0.48 0.00 0.00 55.95 56.20 2gaz s SER 57 Cb -0.01 0.20 1.60 0.00 0.10 0.00 0.00 66.02 67.91 2gaz s SER 57 CO -0.04 -2.01 2.05 0.50 0.98 0.00 0.00 173.24 174.73 2gaz h LYS 58 N -0.63 0.00 -0.27 4.02 3.64 -2.03 0.22 116.57 121.52 2gaz h LYS 58 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2gaz h LYS 58 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2gaz h LYS 58 CO 0.37 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.15 2gaz n ASP 59 N -3.81 2.25 0.00 4.20 5.75 -1.26 -4.96 116.55 118.71 2gaz n ASP 59 Ca 0.03 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 2gaz n ASP 59 Cb 0.41 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2gaz n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2gaz n TRP 60 N 0.71 0.00 -2.61 2.11 7.02 0.78 -5.02 117.44 120.42 2gaz n TRP 60 Ca 0.17 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.28 2gaz n TRP 60 Cb 0.41 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.25 2gaz n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2gaz s SER 61 N -3.36 6.87 0.36 -0.99 1.04 -1.26 -4.73 113.70 111.63 2gaz s SER 61 Ca 0.00 1.97 -0.14 0.00 0.48 0.00 0.00 55.95 58.26 2gaz s SER 61 Cb 0.00 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 2gaz s SER 61 CO 0.00 -0.41 0.76 -0.36 0.98 0.00 0.00 173.24 174.21 2gaz s PHE 62 N -1.70 3.40 0.06 5.02 0.40 -0.75 -2.04 117.98 122.37 2gaz s PHE 62 Ca 0.57 1.17 -0.04 0.00 -0.60 0.00 0.00 56.93 58.04 2gaz s PHE 62 Cb -0.20 -2.52 -0.02 0.00 0.51 0.00 0.00 43.02 40.79 2gaz s PHE 62 CO 0.26 0.01 0.05 1.52 0.70 0.00 0.00 175.22 177.75 2gaz s TYR 63 N -2.13 0.36 -0.23 0.36 -0.85 -0.69 -1.83 117.35 112.34 2gaz s TYR 63 Ca 0.53 -0.82 -0.18 0.00 -0.52 0.00 0.00 57.07 56.08 2gaz s TYR 63 Cb -0.10 -0.25 0.06 0.00 0.38 0.00 0.00 41.96 42.05 2gaz s TYR 63 CO 0.22 -0.41 0.59 -1.50 -1.52 0.00 0.00 175.55 172.93 2gaz s ILE 64 N -3.54 -0.00 -0.26 -3.49 1.10 -0.47 -2.72 121.20 111.81 2gaz s ILE 64 Ca 0.03 0.01 -0.09 0.00 -0.51 0.00 0.00 60.65 60.09 2gaz s ILE 64 Cb 0.05 -0.83 -0.04 0.00 0.15 0.00 0.00 42.46 41.79 2gaz s ILE 64 CO -0.09 0.00 0.13 -0.22 -2.11 0.00 0.00 174.94 172.65 2gaz s LEU 65 N 0.67 3.72 0.04 8.50 2.96 -1.26 -1.52 118.68 131.78 2gaz s LEU 65 Ca -0.03 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2gaz s LEU 65 Cb -0.05 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2gaz s LEU 65 CO -0.04 -0.04 0.09 0.00 -1.32 0.00 0.00 176.35 175.04 2gaz s ALA 66 N 1.65 3.61 -0.11 5.97 0.00 0.13 -0.41 121.76 132.59 2gaz s ALA 66 Ca 0.07 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 2gaz s ALA 66 Cb -0.15 -1.53 0.05 0.00 0.00 0.00 0.00 23.12 21.49 2gaz s ALA 66 CO 0.07 0.73 0.51 -3.38 0.00 0.00 0.00 175.76 173.69 2gaz s HIS 67 N -1.31 -0.50 0.06 0.00 -3.43 -0.34 -0.23 115.29 109.54 2gaz s HIS 67 Ca 0.27 1.05 0.00 0.00 -0.80 0.00 0.00 55.06 55.59 2gaz s HIS 67 Cb -0.12 0.23 -0.03 0.00 -1.43 0.00 0.00 32.58 31.22 2gaz s HIS 67 CO 0.19 -0.39 -0.05 -0.08 -2.00 0.00 0.00 174.74 172.41 2gaz s THR 68 N -0.50 0.39 0.46 -5.38 -1.32 -0.96 -1.69 115.64 106.64 2gaz s THR 68 Ca -0.06 -1.59 -0.23 0.00 -1.21 0.00 0.00 61.69 58.60 2gaz s THR 68 Cb -0.03 -1.22 -0.07 0.00 -1.51 0.00 0.00 72.50 69.66 2gaz s THR 68 CO 0.04 -0.79 1.16 -1.61 -2.21 0.00 0.00 174.62 171.21 2gaz s GLU 69 N -3.14 3.77 -0.27 7.08 2.02 -1.26 -1.37 118.70 125.52 2gaz s GLU 69 Ca 0.02 1.77 -0.22 0.00 0.02 0.00 0.00 54.97 56.56 2gaz s GLU 69 Cb 0.02 -2.41 0.08 0.00 0.10 0.00 0.00 34.13 31.91 2gaz s GLU 69 CO -0.05 -0.54 0.72 -0.59 0.02 0.00 0.00 175.26 174.81 2gaz s PHE 70 N -1.55 -0.87 -0.35 1.61 -0.71 -0.08 -4.84 117.98 111.18 2gaz s PHE 70 Ca 0.63 1.97 -0.06 0.00 -1.04 0.00 0.00 56.93 58.43 2gaz s PHE 70 Cb -0.28 0.39 0.05 0.00 -1.21 0.00 0.00 43.02 41.97 2gaz s PHE 70 CO 0.34 -0.42 0.13 -0.08 -1.34 0.00 0.00 175.22 173.85 2gaz s THR 71 N 0.80 3.80 0.43 -4.49 -1.32 -1.26 -0.27 115.64 113.33 2gaz s THR 71 Ca -0.03 -1.23 -0.24 0.00 -1.21 0.00 0.00 61.69 58.98 2gaz s THR 71 Cb -0.05 -3.20 -0.08 0.00 -1.51 0.00 0.00 72.50 67.66 2gaz s THR 71 CO -0.06 -0.25 1.20 -2.16 -2.21 0.00 0.00 174.62 171.14 2gaz s PRO 72 N 1.39 3.88 0.30 7.08 0.04 -1.26 -4.85 135.00 141.58 2gaz s PRO 72 Ca -0.01 1.88 0.03 0.00 0.04 0.00 0.00 61.00 62.94 2gaz s PRO 72 Cb -0.20 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 2gaz s PRO 72 CO 0.02 -0.48 0.12 0.95 0.04 0.00 0.00 177.00 177.66 2gaz s THR 73 N -1.43 0.51 0.43 1.26 -4.23 -1.26 -1.47 115.64 109.45 2gaz s THR 73 Ca 0.60 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.23 2gaz s THR 73 Cb -0.31 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.26 2gaz s THR 73 CO 0.39 0.00 2.02 -0.33 -0.54 0.00 0.00 174.62 176.16 2gaz h GLU 74 N 2.22 0.41 0.00 3.99 5.08 -1.97 -3.33 114.58 120.98 2gaz h GLU 74 Ca -0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2gaz h GLU 74 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2gaz h GLU 74 CO 0.57 0.27 -0.77 0.25 -1.00 0.00 0.00 179.01 178.33 2gaz n THR 75 N -4.48 0.00 -3.06 1.13 -2.24 -1.26 -4.98 114.28 99.39 2gaz n THR 75 Ca 0.06 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 2gaz n THR 75 Cb 0.24 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 2gaz n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2gaz s ASP 76 N -2.42 7.18 0.15 3.42 1.01 -1.25 -5.07 116.67 119.69 2gaz s ASP 76 Ca 0.03 1.41 0.04 0.00 0.71 0.00 0.00 52.55 54.73 2gaz s ASP 76 Cb 0.09 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 2gaz s ASP 76 CO 0.51 0.11 0.17 0.42 0.21 0.00 0.00 175.17 176.59 2gaz s THR 77 N -0.44 4.73 -0.02 -1.27 -4.23 -1.26 -4.70 115.64 108.45 2gaz s THR 77 Ca 0.35 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2gaz s THR 77 Cb -0.20 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.25 2gaz s THR 77 CO 0.22 -0.07 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.89 2gaz s TYR 78 N -1.70 0.42 0.21 3.99 1.51 -1.26 -1.64 117.35 118.89 2gaz s TYR 78 Ca 0.32 -0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.32 2gaz s TYR 78 Cb -0.11 -0.36 -0.05 0.00 -0.11 0.00 0.00 41.96 41.33 2gaz s TYR 78 CO 0.25 -0.07 0.04 0.00 -1.11 0.00 0.00 175.55 174.65 2gaz s ALA 79 N 0.39 1.55 -0.16 3.71 0.00 0.24 0.11 121.76 127.59 2gaz s ALA 79 Ca -0.04 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2gaz s ALA 79 Cb -0.07 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.80 2gaz s ALA 79 CO -0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 175.76 175.28 2gaz s ARG 81 N 1.50 3.27 -0.11 0.00 3.52 0.64 -1.77 118.95 126.00 2gaz s ARG 81 Ca 0.03 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.17 2gaz s ARG 81 Cb -0.14 -2.85 0.03 0.00 -1.56 0.00 0.00 34.95 30.42 2gaz s ARG 81 CO -0.09 0.52 -0.06 0.08 -0.81 0.00 0.00 175.30 174.93 2gaz s VAL 82 N -0.37 0.94 -0.15 7.11 1.01 0.31 -0.93 120.40 128.32 2gaz s VAL 82 Ca 0.07 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 2gaz s VAL 82 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2gaz s VAL 82 CO 0.02 0.33 0.40 -0.54 0.00 0.00 0.00 175.10 175.30 2gaz s LYS 83 N 1.74 4.28 0.05 2.72 1.02 -0.12 -2.33 119.74 127.10 2gaz s LYS 83 Ca 0.05 0.28 -0.14 0.00 0.02 0.00 0.00 55.97 56.18 2gaz s LYS 83 Cb -0.13 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2gaz s LYS 83 CO -0.08 0.15 0.30 -1.58 -0.92 0.00 0.00 175.35 173.22 2gaz s HIS 84 N 0.70 -0.09 0.45 3.18 2.46 -1.26 -1.81 115.29 118.91 2gaz s HIS 84 Ca 0.21 -0.08 0.11 0.00 0.47 0.00 0.00 55.06 55.77 2gaz s HIS 84 Cb -0.14 0.10 1.00 0.00 -0.13 0.00 0.00 32.58 33.41 2gaz s HIS 84 CO 0.07 -0.52 2.06 0.00 -2.47 0.00 0.00 174.74 173.88 2gaz h ALA 85 N 3.10 1.78 0.00 1.58 0.00 -1.93 -2.15 119.26 121.65 2gaz h ALA 85 Ca -0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2gaz h ALA 85 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2gaz h ALA 85 CO 0.47 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.77 2gaz n SER 86 N -4.46 0.00 -4.07 0.00 3.41 -1.26 -4.73 113.62 102.52 2gaz n SER 86 Ca -0.00 0.41 -0.29 0.00 -0.26 0.00 0.00 58.87 58.73 2gaz n SER 86 Cb 0.11 -0.46 -0.17 0.00 -0.26 0.00 0.00 64.21 63.44 2gaz n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2gaz s MET 87 N -2.91 2.28 0.60 4.33 1.00 -0.81 -4.90 119.30 118.89 2gaz s MET 87 Ca 0.09 -0.59 0.29 0.00 0.00 0.00 0.00 55.69 55.48 2gaz s MET 87 Cb 0.10 -1.92 1.62 0.00 0.00 0.00 0.00 34.83 34.63 2gaz s MET 87 CO 0.26 -0.05 2.02 0.00 0.00 0.00 0.00 175.02 177.26 2gaz h ALA 88 N 7.38 1.85 -3.08 3.03 0.00 -1.84 -3.43 119.26 123.16 2gaz h ALA 88 Ca -0.31 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 2gaz h ALA 88 Cb 1.18 0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.74 2gaz h ALA 88 CO 0.49 -0.42 -0.44 -2.00 0.00 0.00 0.00 179.25 176.88 2gaz s GLU 89 N -4.56 0.32 0.42 0.00 2.56 -1.26 -5.11 118.70 111.07 2gaz s GLU 89 Ca -0.04 0.19 -0.26 0.00 0.00 0.00 0.00 54.97 54.86 2gaz s GLU 89 Cb 0.15 0.15 -0.10 0.00 2.00 0.00 0.00 34.13 36.33 2gaz s GLU 89 CO 0.52 -0.05 1.44 -2.30 -0.56 0.00 0.00 175.26 174.30 2gaz n PRO 90 N 2.65 2.38 -4.31 4.30 -0.02 -1.26 -4.87 135.00 133.87 2gaz n PRO 90 Ca -0.15 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 2gaz n PRO 90 Cb 0.58 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 2gaz n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2gaz s LYS 91 N -2.29 3.49 -0.12 -0.52 2.20 -0.98 -4.90 119.74 116.62 2gaz s LYS 91 Ca 0.58 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 2gaz s LYS 91 Cb -0.47 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 2gaz s LYS 91 CO 0.60 0.41 -0.20 0.99 -0.36 0.00 0.00 175.35 176.79 2gaz s THR 92 N -0.07 1.84 -0.06 3.43 2.01 -1.26 -0.53 115.64 121.00 2gaz s THR 92 Ca 0.03 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.23 2gaz s THR 92 Cb -0.13 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 2gaz s THR 92 CO 0.02 0.51 -0.23 0.68 -0.69 0.00 0.00 174.62 174.90 2gaz s VAL 93 N 0.72 1.93 -0.02 3.82 -7.23 -0.73 -4.97 120.40 113.93 2gaz s VAL 93 Ca -0.11 -1.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 2gaz s VAL 93 Cb -0.16 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 2gaz s VAL 93 CO 0.02 0.54 0.45 -0.31 -0.31 0.00 0.00 175.10 175.49 2gaz s TYR 94 N -0.11 3.68 0.16 2.82 1.51 -1.26 -0.72 117.35 123.43 2gaz s TYR 94 Ca -0.04 1.01 -0.34 0.00 -1.01 0.00 0.00 57.07 56.69 2gaz s TYR 94 Cb -0.13 -2.40 -0.13 0.00 -0.11 0.00 0.00 41.96 39.18 2gaz s TYR 94 CO 0.04 0.49 1.61 1.87 -1.11 0.00 0.00 175.55 178.46 2gaz n TRP 95 N 2.35 2.36 -3.85 2.71 -0.00 0.12 -4.95 117.44 116.17 2gaz n TRP 95 Ca -0.11 0.22 -0.30 0.00 -0.00 0.00 0.00 57.50 57.30 2gaz n TRP 95 Cb 0.52 -2.57 -0.15 0.00 -0.00 0.00 0.00 31.31 29.10 2gaz n TRP 95 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2gaz s ASP 96 N 1.08 3.99 0.60 5.87 3.68 -1.26 -4.67 116.67 125.95 2gaz s ASP 96 Ca 0.79 -1.50 0.30 0.00 2.13 0.00 0.00 52.55 54.27 2gaz s ASP 96 Cb -0.65 -1.07 1.74 0.00 -1.45 0.00 0.00 42.92 41.48 2gaz s ASP 96 CO 0.37 -0.34 2.15 0.08 0.13 0.00 0.00 175.17 177.56 2gaz h ARG 97 N 7.98 0.00 0.00 4.34 0.11 -1.96 -1.53 114.38 123.32 2gaz h ARG 97 Ca -0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.95 2gaz h ARG 97 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 2gaz h ARG 97 CO 0.45 0.00 -0.44 -0.44 0.10 0.00 0.00 179.97 179.64 2gaz h ASP 98 N 0.00 0.00 -0.02 0.08 3.32 -2.02 -3.49 116.42 114.29 2gaz h ASP 98 Ca 0.06 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gaz h ASP 98 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2gaz h ASP 98 CO -0.00 0.03 0.00 0.23 -1.72 0.00 0.00 179.24 177.78