#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiz s GLN 2 N 0.00 3.36 -0.42 0.00 -0.21 -1.26 -5.02 119.66 116.11 1aiz s GLN 2 Ca 0.00 -0.16 0.05 0.00 0.02 0.00 0.00 55.36 55.26 1aiz s GLN 2 Cb 0.00 -2.51 0.44 0.00 1.00 0.00 0.00 33.01 31.94 1aiz s GLN 2 CO 0.00 -0.14 1.32 0.00 -2.12 0.00 0.00 175.29 174.35 1aiz s GLU 4 N -3.64 0.69 -0.08 0.00 2.02 -1.26 -1.63 118.70 114.79 1aiz s GLU 4 Ca 0.52 -1.00 -0.24 0.00 0.02 0.00 0.00 54.97 54.26 1aiz s GLU 4 Cb 0.42 0.26 0.05 0.00 0.10 0.00 0.00 34.13 34.97 1aiz s GLU 4 CO -0.07 -0.18 0.56 0.00 0.02 0.00 0.00 175.26 175.59 1aiz s ALA 5 N -3.54 -1.43 -0.15 5.21 0.00 -0.40 -4.94 121.76 116.51 1aiz s ALA 5 Ca 0.03 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 1aiz s ALA 5 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1aiz s ALA 5 CO -0.09 -0.32 -0.10 0.99 0.00 0.00 0.00 175.76 176.24 1aiz s THR 6 N -0.86 3.25 -0.02 0.00 2.01 -1.26 -0.95 115.64 117.82 1aiz s THR 6 Ca -0.09 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.40 1aiz s THR 6 Cb -0.02 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1aiz s THR 6 CO 0.06 0.50 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.76 1aiz s ILE 7 N 0.52 1.80 0.14 1.82 2.07 0.14 -4.96 121.20 122.73 1aiz s ILE 7 Ca -0.07 -0.97 0.05 0.00 -1.41 0.00 0.00 60.65 58.24 1aiz s ILE 7 Cb -0.15 -1.50 -0.04 0.00 0.13 0.00 0.00 42.46 40.90 1aiz s ILE 7 CO 0.04 0.51 0.11 -1.61 -1.91 0.00 0.00 174.94 172.08 1aiz s GLU 8 N -0.51 2.87 0.01 3.50 2.02 -1.26 -1.60 118.70 123.73 1aiz s GLU 8 Ca 0.08 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.27 1aiz s GLU 8 Cb -0.09 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 1aiz s GLU 8 CO -0.01 0.51 -0.09 -1.54 0.02 0.00 0.00 175.26 174.15 1aiz s SER 9 N -2.89 1.04 0.00 -0.19 1.04 -0.35 -1.07 113.70 111.29 1aiz s SER 9 Ca 0.30 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1aiz s SER 9 Cb -0.11 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1aiz s SER 9 CO 0.23 0.02 0.00 -0.46 0.98 0.00 0.00 173.24 174.00 1aiz n ASN 10 N 2.38 0.73 0.02 7.02 0.23 -0.84 -0.82 115.26 123.97 1aiz n ASN 10 Ca -0.16 -0.81 0.11 0.00 -0.53 0.00 0.00 54.58 53.19 1aiz n ASN 10 Cb 0.56 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.75 1aiz n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1aiz n ASP 11 N -1.84 0.11 -1.05 0.53 8.00 -1.26 -2.83 116.55 118.21 1aiz n ASP 11 Ca 0.00 0.52 0.10 0.00 0.71 0.00 0.00 54.79 56.12 1aiz n ASP 11 Cb 0.00 -0.54 0.26 0.00 -0.02 0.00 0.00 41.12 40.82 1aiz n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aiz n ALA 12 N -1.54 2.42 -3.17 2.24 0.00 -1.26 -4.95 120.51 114.25 1aiz n ALA 12 Ca 0.05 -0.98 -0.15 0.00 0.00 0.00 0.00 53.44 52.36 1aiz n ALA 12 Cb 0.28 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 18.85 1aiz n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1aiz n MET 13 N 1.19 -5.38 -4.22 0.00 2.81 -1.13 -5.03 117.12 105.36 1aiz n MET 13 Ca 0.19 0.64 -0.18 0.00 -1.81 0.00 0.00 57.70 56.55 1aiz n MET 13 Cb 0.50 -5.07 -0.11 0.00 -0.71 0.00 0.00 33.22 27.83 1aiz n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1aiz s GLN 14 N -5.35 0.98 0.18 0.03 -0.21 -1.26 -4.31 119.66 109.72 1aiz s GLN 14 Ca 0.14 -1.20 0.05 0.00 0.02 0.00 0.00 55.36 54.38 1aiz s GLN 14 Cb -0.06 -0.84 -0.04 0.00 1.00 0.00 0.00 33.01 33.06 1aiz s GLN 14 CO 0.56 0.16 0.14 0.71 -2.12 0.00 0.00 175.29 174.74 1aiz s TYR 15 N -2.08 3.14 -1.37 0.91 2.02 -1.26 -1.98 117.35 116.73 1aiz s TYR 15 Ca 0.07 -0.03 0.27 0.00 -0.37 0.00 0.00 57.07 57.01 1aiz s TYR 15 Cb -0.05 -1.49 0.94 0.00 -0.40 0.00 0.00 41.96 40.96 1aiz s TYR 15 CO 0.02 0.52 1.70 0.27 -1.57 0.00 0.00 175.55 176.49 1aiz n ASN 16 N -0.46 0.49 -4.13 2.29 6.94 -0.23 -4.81 115.26 115.35 1aiz n ASN 16 Ca -0.08 -0.35 -0.25 0.00 -0.02 0.00 0.00 54.58 53.88 1aiz n ASN 16 Cb 0.55 -0.02 -0.16 0.00 -2.36 0.00 0.00 39.78 37.79 1aiz n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1aiz s LEU 17 N -2.72 1.94 0.00 -4.53 1.43 -1.26 -4.97 118.68 108.57 1aiz s LEU 17 Ca 0.20 -0.32 0.16 0.00 -1.03 0.00 0.00 54.13 53.15 1aiz s LEU 17 Cb 0.19 -0.89 -0.16 0.00 0.03 0.00 0.00 46.19 45.35 1aiz s LEU 17 CO 0.56 0.16 0.71 2.29 0.23 0.00 0.00 176.35 180.30 1aiz n LYS 18 N 2.99 1.60 -3.79 1.70 0.00 -1.26 -4.78 118.16 114.62 1aiz n LYS 18 Ca -0.17 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.31 57.95 1aiz n LYS 18 Cb 0.53 -1.27 -0.11 0.00 -0.00 0.00 0.00 35.03 34.18 1aiz n LYS 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1aiz s GLU 19 N -2.50 0.39 -0.03 -1.58 2.12 -1.26 -0.68 118.70 115.16 1aiz s GLU 19 Ca 0.07 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.60 1aiz s GLU 19 Cb 0.12 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.70 1aiz s GLU 19 CO 0.65 -0.07 -0.11 -1.64 -0.54 0.00 0.00 175.26 173.55 1aiz s MET 20 N -0.31 1.17 -0.11 4.30 -1.94 0.12 -4.91 119.30 117.62 1aiz s MET 20 Ca -0.04 -0.37 0.02 0.00 -1.71 0.00 0.00 55.69 53.59 1aiz s MET 20 Cb -0.03 -1.06 -0.01 0.00 2.01 0.00 0.00 34.83 35.73 1aiz s MET 20 CO 0.01 0.13 -0.17 0.08 -0.01 0.00 0.00 175.02 175.06 1aiz s VAL 21 N 0.22 2.70 -0.22 -6.03 1.01 -1.26 -1.78 120.40 115.05 1aiz s VAL 21 Ca -0.04 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1aiz s VAL 21 Cb -0.10 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1aiz s VAL 21 CO 0.01 0.54 0.12 -0.69 0.00 0.00 0.00 175.10 175.08 1aiz s VAL 22 N 0.25 5.10 0.18 2.92 1.01 0.03 -4.92 120.40 124.98 1aiz s VAL 22 Ca -0.12 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1aiz s VAL 22 Cb -0.16 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 1aiz s VAL 22 CO 0.06 0.39 1.25 -0.62 0.00 0.00 0.00 175.10 176.18 1aiz s ASP 23 N 0.81 7.00 0.13 3.32 2.15 -1.26 0.28 116.67 129.10 1aiz s ASP 23 Ca 0.06 2.30 0.10 0.00 0.43 0.00 0.00 52.55 55.43 1aiz s ASP 23 Cb -0.13 -2.61 0.51 0.00 -0.30 0.00 0.00 42.92 40.39 1aiz s ASP 23 CO 0.02 -0.45 1.30 0.29 -0.17 0.00 0.00 175.17 176.16 1aiz n LYS 24 N 2.66 0.06 0.00 4.34 5.02 -1.26 -0.95 118.16 128.03 1aiz n LYS 24 Ca 0.05 0.54 0.13 0.00 -2.02 0.00 0.00 58.31 57.01 1aiz n LYS 24 Cb 0.44 -1.69 0.56 0.00 -0.02 0.00 0.00 35.03 34.32 1aiz n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1aiz n SER 25 N -1.82 0.02 -4.83 4.39 3.41 -1.26 -4.83 113.62 108.70 1aiz n SER 25 Ca -0.00 0.50 -0.38 0.00 -0.26 0.00 0.00 58.87 58.73 1aiz n SER 25 Cb 0.03 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 1aiz n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aiz n LYS 27 N 1.93 0.70 -4.26 0.00 4.81 -1.26 -4.73 118.16 115.35 1aiz n LYS 27 Ca -0.14 0.23 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 1aiz n LYS 27 Cb 0.52 -1.68 -0.10 0.00 0.02 0.00 0.00 35.03 33.79 1aiz n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1aiz s GLN 28 N -2.56 1.09 -0.01 1.64 -0.21 -1.26 -1.28 119.66 117.06 1aiz s GLN 28 Ca -0.18 -1.48 -0.00 0.00 0.02 0.00 0.00 55.36 53.71 1aiz s GLN 28 Cb 0.07 -0.57 0.01 0.00 1.00 0.00 0.00 33.01 33.52 1aiz s GLN 28 CO 0.76 0.03 0.02 0.12 -2.12 0.00 0.00 175.29 174.11 1aiz s PHE 29 N -3.38 -0.01 -0.08 0.91 5.36 -0.41 -4.76 117.98 115.60 1aiz s PHE 29 Ca 0.18 0.07 0.04 0.00 -0.96 0.00 0.00 56.93 56.27 1aiz s PHE 29 Cb 0.03 -0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1aiz s PHE 29 CO 0.02 -0.03 -0.21 0.99 -1.46 0.00 0.00 175.22 174.52 1aiz s THR 30 N 0.30 2.37 -0.17 0.12 2.01 -0.64 -0.71 115.64 118.92 1aiz s THR 30 Ca -0.02 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1aiz s THR 30 Cb -0.04 -1.91 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1aiz s THR 30 CO -0.01 0.56 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 1aiz s VAL 31 N -0.01 2.78 -0.29 3.82 1.01 0.32 -1.27 120.40 126.76 1aiz s VAL 31 Ca -0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1aiz s VAL 31 Cb -0.15 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 1aiz s VAL 31 CO 0.05 0.50 0.09 -1.00 0.00 0.00 0.00 175.10 174.74 1aiz s HIS 32 N 0.93 3.13 -0.17 5.22 3.76 -0.12 -0.94 115.29 127.11 1aiz s HIS 32 Ca -0.03 -0.75 -0.10 0.00 -0.15 0.00 0.00 55.06 54.03 1aiz s HIS 32 Cb -0.15 -2.27 -0.05 0.00 1.11 0.00 0.00 32.58 31.22 1aiz s HIS 32 CO -0.01 -0.50 0.18 -1.17 -0.85 0.00 0.00 174.74 172.39 1aiz s LEU 33 N 1.55 4.27 -0.00 0.89 2.96 0.74 0.29 118.68 129.37 1aiz s LEU 33 Ca 0.04 0.37 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 1aiz s LEU 33 Cb -0.17 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1aiz s LEU 33 CO 0.03 0.22 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.52 1aiz s LYS 34 N 0.02 1.76 -0.35 1.98 1.02 -0.63 -1.56 119.74 121.98 1aiz s LYS 34 Ca 0.12 -0.85 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 1aiz s LYS 34 Cb -0.12 -1.75 0.05 0.00 -0.52 0.00 0.00 37.83 35.49 1aiz s LYS 34 CO 0.01 0.47 0.13 -1.58 -0.92 0.00 0.00 175.35 173.46 1aiz s HIS 35 N -0.59 3.28 -2.13 3.18 5.65 -0.75 -1.21 115.29 122.71 1aiz s HIS 35 Ca 0.09 -1.49 0.22 0.00 0.25 0.00 0.00 55.06 54.13 1aiz s HIS 35 Cb -0.09 -2.41 0.58 0.00 -1.18 0.00 0.00 32.58 29.47 1aiz s HIS 35 CO -0.00 -0.76 1.49 1.33 -0.65 0.00 0.00 174.74 176.15 1aiz n VAL 36 N 4.81 0.81 -1.79 0.89 0.24 -0.00 -1.65 118.33 121.64 1aiz n VAL 36 Ca -0.12 -0.88 -0.13 0.00 -2.04 0.00 0.00 64.34 61.18 1aiz n VAL 36 Cb 0.44 0.60 0.08 0.00 -1.47 0.00 0.00 33.84 33.50 1aiz n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aiz n GLY 37 N 1.58 -0.60 0.00 7.63 0.00 -1.25 -4.85 105.19 107.70 1aiz n GLY 37 Ca 0.22 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1aiz n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aiz n LYS 38 N -2.20 2.82 -3.28 1.61 2.85 -1.26 -3.19 118.16 115.50 1aiz n LYS 38 Ca 0.08 -1.51 -0.34 0.00 -1.05 0.00 0.00 58.31 55.49 1aiz n LYS 38 Cb 0.28 -1.00 -0.06 0.00 -0.65 0.00 0.00 35.03 33.60 1aiz n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1aiz s MET 39 N -1.04 3.98 0.64 -1.58 -1.94 -1.26 -4.81 119.30 113.30 1aiz s MET 39 Ca 0.01 0.54 -0.13 0.00 -1.71 0.00 0.00 55.69 54.39 1aiz s MET 39 Cb 0.01 -2.73 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 1aiz s MET 39 CO 0.00 0.35 1.06 0.00 -0.01 0.00 0.00 175.02 176.42 1aiz s ALA 40 N -1.68 2.70 0.42 3.03 0.00 -1.26 -0.18 121.76 124.78 1aiz s ALA 40 Ca 0.45 0.25 0.40 0.00 0.00 0.00 0.00 51.96 53.06 1aiz s ALA 40 Cb -0.13 -3.21 2.01 0.00 0.00 0.00 0.00 23.12 21.79 1aiz s ALA 40 CO 0.20 -1.02 2.21 1.57 0.00 0.00 0.00 175.76 178.71 1aiz h LYS 41 N -0.12 0.00 -0.17 0.00 2.10 -1.85 -0.97 116.57 115.56 1aiz h LYS 41 Ca -0.45 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.11 1aiz h LYS 41 Cb 1.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1aiz h LYS 41 CO 0.57 0.00 -0.26 -0.24 -2.00 0.00 0.00 179.45 177.52 1aiz h VAL 42 N 0.00 1.25 0.00 0.07 3.04 -1.95 -2.24 116.25 116.42 1aiz h VAL 42 Ca 0.00 -1.19 -0.35 0.00 -1.01 0.00 0.00 66.70 64.14 1aiz h VAL 42 Cb 0.18 1.41 -0.06 0.00 -2.01 0.00 0.00 31.29 30.81 1aiz h VAL 42 CO 0.00 0.37 -2.33 0.00 -1.01 0.00 0.00 177.57 174.60 1aiz n ALA 43 N -2.48 1.51 -2.69 3.17 0.00 -0.87 -4.78 120.51 114.37 1aiz n ALA 43 Ca -0.01 -1.14 -0.07 0.00 0.00 0.00 0.00 53.44 52.23 1aiz n ALA 43 Cb 0.38 -0.10 0.06 0.00 0.00 0.00 0.00 19.45 19.79 1aiz n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1aiz n MET 44 N -2.95 1.25 -2.17 0.00 0.00 -0.42 -5.02 117.12 107.80 1aiz n MET 44 Ca -0.37 -2.80 -0.38 0.00 -0.00 0.00 0.00 57.70 54.15 1aiz n MET 44 Cb 1.03 -0.89 -0.01 0.00 0.00 0.00 0.00 33.22 33.36 1aiz n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1aiz s GLY 45 N -2.61 2.87 0.00 -5.12 0.00 -0.84 -4.75 107.32 96.87 1aiz s GLY 45 Ca 0.25 1.07 0.03 0.00 0.00 0.00 0.00 44.72 46.07 1aiz s GLY 45 CO -0.01 1.59 -0.10 0.30 0.00 0.00 0.00 173.10 174.88 1aiz s HIS 46 N -1.39 0.86 0.41 1.90 3.76 -0.78 -4.73 115.29 115.32 1aiz s HIS 46 Ca 0.60 -0.20 0.05 0.00 -0.15 0.00 0.00 55.06 55.35 1aiz s HIS 46 Cb -0.33 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 1aiz s HIS 46 CO 0.42 -0.01 0.18 0.54 -0.85 0.00 0.00 174.74 175.01 1aiz s ASN 47 N -0.40 2.65 -0.07 1.40 2.20 -1.26 -0.49 114.94 118.97 1aiz s ASN 47 Ca 0.03 -1.74 -0.01 0.00 -0.94 0.00 0.00 52.86 50.19 1aiz s ASN 47 Cb -0.04 0.60 0.03 0.00 -2.00 0.00 0.00 41.25 39.83 1aiz s ASN 47 CO -0.00 -1.01 -0.00 0.86 -2.94 0.00 0.00 177.10 174.01 1aiz s TRP 48 N -3.23 0.64 -0.03 1.54 -0.00 -1.26 -4.28 118.94 112.33 1aiz s TRP 48 Ca 0.26 -0.15 0.03 0.00 -0.00 0.00 0.00 56.10 56.25 1aiz s TRP 48 Cb 0.02 -0.76 -0.00 0.00 -0.00 0.00 0.00 33.47 32.73 1aiz s TRP 48 CO 0.18 -0.30 -0.12 0.08 -0.00 0.00 0.00 176.95 176.79 1aiz s VAL 49 N 1.84 1.02 -0.11 5.86 1.01 -0.33 -1.28 120.40 128.41 1aiz s VAL 49 Ca 0.03 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1aiz s VAL 49 Cb -0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 1aiz s VAL 49 CO -0.05 0.30 -0.22 -0.22 0.00 0.00 0.00 175.10 174.92 1aiz s LEU 50 N 0.03 2.21 0.26 3.92 2.96 -0.28 -1.28 118.68 126.50 1aiz s LEU 50 Ca -0.01 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 1aiz s LEU 50 Cb -0.09 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1aiz s LEU 50 CO 0.01 0.16 0.36 0.42 -1.32 0.00 0.00 176.35 175.98 1aiz s THR 51 N 0.36 0.00 0.54 3.68 -4.23 -0.34 -0.51 115.64 115.13 1aiz s THR 51 Ca -0.17 -1.66 -0.19 0.00 -1.18 0.00 0.00 61.69 58.49 1aiz s THR 51 Cb -0.18 -2.41 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 1aiz s THR 51 CO 0.08 0.00 1.11 -0.54 -0.54 0.00 0.00 174.62 174.73 1aiz s LYS 52 N -3.82 3.43 0.32 3.99 1.02 -1.26 -0.21 119.74 123.20 1aiz s LYS 52 Ca 0.30 1.56 0.10 0.00 0.02 0.00 0.00 55.97 57.94 1aiz s LYS 52 Cb 0.02 -2.02 0.88 0.00 -0.52 0.00 0.00 37.83 36.19 1aiz s LYS 52 CO 0.13 -0.78 1.74 1.49 -0.92 0.00 0.00 175.35 177.01 1aiz h GLU 53 N 1.23 0.58 0.00 1.68 4.57 -1.89 0.11 114.58 120.86 1aiz h GLU 53 Ca -0.50 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 57.58 1aiz h GLU 53 Cb 1.25 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1aiz h GLU 53 CO 0.57 0.38 -0.30 0.00 -1.18 0.00 0.00 179.01 178.48 1aiz h ALA 54 N 1.71 0.94 -0.01 2.92 0.00 -1.91 -3.18 119.26 119.74 1aiz h ALA 54 Ca 0.63 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1aiz h ALA 54 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1aiz h ALA 54 CO -0.45 0.38 -0.15 -0.25 0.00 0.00 0.00 179.25 178.78 1aiz n ASP 55 N -3.37 0.68 -0.08 0.00 8.00 0.36 -4.57 116.55 117.57 1aiz n ASP 55 Ca 0.01 -0.72 -0.11 0.00 0.71 0.00 0.00 54.79 54.68 1aiz n ASP 55 Cb 0.51 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 1aiz n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1aiz h LYS 56 N 0.83 -0.33 -0.72 -1.24 3.64 -1.53 -0.90 116.57 116.32 1aiz h LYS 56 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1aiz h LYS 56 Cb 0.40 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1aiz h LYS 56 CO 0.00 -0.22 0.39 0.37 -2.27 0.00 0.00 179.45 177.72 1aiz h GLN 57 N -0.34 1.00 -0.18 1.90 4.15 -1.85 -0.15 115.11 119.65 1aiz h GLN 57 Ca 0.05 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 1aiz h GLN 57 Cb 0.47 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1aiz h GLN 57 CO -0.42 0.74 -0.13 0.78 -1.93 0.00 0.00 178.83 177.88 1aiz h GLY 58 N 1.06 0.44 0.91 2.39 0.00 -1.82 -1.82 103.07 104.22 1aiz h GLY 58 Ca 0.26 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1aiz h GLY 58 CO -0.04 0.38 0.05 -2.08 0.00 0.00 0.00 176.54 174.84 1aiz h VAL 59 N 0.07 1.24 -0.25 4.60 2.07 -1.05 -0.89 116.25 122.05 1aiz h VAL 59 Ca 0.04 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1aiz h VAL 59 Cb 0.63 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1aiz h VAL 59 CO 0.03 0.29 0.09 0.00 0.02 0.00 0.00 177.57 178.01 1aiz h ALA 60 N 0.89 0.28 0.45 1.67 0.00 -0.98 0.44 119.26 122.02 1aiz h ALA 60 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1aiz h ALA 60 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1aiz h ALA 60 CO 0.01 -0.32 -0.22 1.15 0.00 0.00 0.00 179.25 179.87 1aiz h THR 61 N 0.21 0.56 -0.36 0.00 2.02 -1.30 -0.98 112.91 113.06 1aiz h THR 61 Ca 0.11 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1aiz h THR 61 Cb 0.07 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1aiz h THR 61 CO -0.10 0.00 -0.05 0.44 0.37 0.00 0.00 175.52 176.18 1aiz h ASP 62 N -0.61 0.56 -0.56 4.18 3.32 -1.04 -2.75 116.42 119.51 1aiz h ASP 62 Ca -0.06 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1aiz h ASP 62 Cb 0.47 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1aiz h ASP 62 CO 0.10 0.66 0.16 1.23 -1.72 0.00 0.00 179.24 179.67 1aiz h GLY 63 N 0.91 0.95 -0.18 2.75 0.00 0.12 -2.90 103.07 104.73 1aiz h GLY 63 Ca 0.11 -0.58 0.09 0.00 0.00 0.00 0.00 47.33 46.95 1aiz h GLY 63 CO 0.02 0.54 -0.28 1.98 0.00 0.00 0.00 176.54 178.80 1aiz h MET 64 N 0.79 -0.18 0.00 4.80 1.85 -0.90 -1.20 114.93 120.09 1aiz h MET 64 Ca 0.18 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.28 1aiz h MET 64 Cb 0.31 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.38 1aiz h MET 64 CO -0.00 -0.12 0.00 0.09 -0.40 0.00 0.00 176.91 176.48 1aiz n ASN 65 N -5.41 0.26 0.15 1.39 3.02 -1.11 -3.06 115.26 110.50 1aiz n ASN 65 Ca 0.02 0.56 0.03 0.00 -0.03 0.00 0.00 54.58 55.17 1aiz n ASN 65 Cb 0.33 -0.62 0.12 0.00 -0.61 0.00 0.00 39.78 39.00 1aiz n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aiz h ALA 66 N 2.41 0.76 0.00 5.41 0.00 -1.08 -3.50 119.26 123.26 1aiz h ALA 66 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1aiz h ALA 66 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1aiz h ALA 66 CO 0.00 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1aiz n GLY 67 N 0.93 0.06 0.32 0.00 0.00 -1.17 -4.32 105.19 101.01 1aiz n GLY 67 Ca 0.01 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 1aiz n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1aiz h LEU 68 N 0.00 1.04 -1.84 0.99 5.85 -1.92 -0.25 115.31 119.18 1aiz h LEU 68 Ca 0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1aiz h LEU 68 Cb 0.00 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 1aiz h LEU 68 CO 0.00 0.96 -0.04 0.00 -0.34 0.00 0.00 178.44 179.02 1aiz h ALA 69 N 1.12 1.04 -0.53 1.25 0.00 -2.02 0.25 119.26 120.37 1aiz h ALA 69 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1aiz h ALA 69 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1aiz h ALA 69 CO -0.01 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.33 1aiz n GLN 70 N -3.20 2.82 -1.94 0.00 1.13 -1.01 -4.92 117.38 110.26 1aiz n GLN 70 Ca -0.01 -2.15 -0.19 0.00 -1.94 0.00 0.00 57.00 52.71 1aiz n GLN 70 Cb 0.26 -1.63 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 1aiz n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1aiz n ASP 71 N 0.96 -5.46 -3.54 1.08 8.00 0.08 -2.43 116.55 115.23 1aiz n ASP 71 Ca 0.20 0.25 -0.26 0.00 0.71 0.00 0.00 54.79 55.69 1aiz n ASP 71 Cb 0.63 -4.60 0.03 0.00 -0.02 0.00 0.00 41.12 37.16 1aiz n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1aiz n TYR 72 N -3.16 -2.23 -3.82 1.24 4.01 -0.14 -4.58 117.16 108.48 1aiz n TYR 72 Ca -0.21 0.75 -0.15 0.00 -0.16 0.00 0.00 57.90 58.12 1aiz n TYR 72 Cb 0.66 -4.07 -0.16 0.00 -0.31 0.00 0.00 39.34 35.45 1aiz n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1aiz s VAL 73 N -3.20 0.00 0.17 -0.72 1.01 -1.02 -4.10 120.40 112.55 1aiz s VAL 73 Ca 0.52 0.18 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 1aiz s VAL 73 Cb -0.25 -0.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.91 1aiz s VAL 73 CO 0.64 0.10 1.47 -0.75 0.00 0.00 0.00 175.10 176.56 1aiz s LYS 74 N 1.03 4.27 0.35 2.72 2.20 -1.26 -4.88 119.74 124.17 1aiz s LYS 74 Ca -0.09 2.25 -0.29 0.00 -0.36 0.00 0.00 55.97 57.48 1aiz s LYS 74 Cb -0.13 -3.17 -0.11 0.00 -1.51 0.00 0.00 37.83 32.91 1aiz s LYS 74 CO -0.03 -0.49 1.49 0.00 -0.36 0.00 0.00 175.35 175.97 1aiz s ALA 75 N 0.79 3.60 -1.49 3.13 0.00 -1.26 -2.18 121.76 124.35 1aiz s ALA 75 Ca 0.65 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1aiz s ALA 75 Cb -0.41 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1aiz s ALA 75 CO 0.34 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1aiz n GLY 76 N 0.86 1.42 3.62 0.00 0.00 -1.26 -4.91 105.19 104.92 1aiz n GLY 76 Ca 0.02 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1aiz n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aiz s ASP 77 N -2.68 5.78 0.00 1.61 -1.08 -0.92 -4.82 116.67 114.55 1aiz s ASP 77 Ca 0.00 2.02 0.23 0.00 -0.52 0.00 0.00 52.55 54.28 1aiz s ASP 77 Cb 0.00 -2.52 1.02 0.00 -1.46 0.00 0.00 42.92 39.97 1aiz s ASP 77 CO 0.00 -1.68 1.74 0.35 0.52 0.00 0.00 175.17 176.09 1aiz n THR 78 N 7.12 0.39 0.74 1.71 -2.24 -1.26 -2.53 114.28 118.21 1aiz n THR 78 Ca 0.26 0.10 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 1aiz n THR 78 Cb 0.44 -0.71 0.35 0.00 -2.10 0.00 0.00 70.33 68.31 1aiz n THR 78 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1aiz n ARG 79 N -1.44 0.18 -3.15 -0.78 1.74 -1.26 -4.76 116.66 107.19 1aiz n ARG 79 Ca 0.07 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 1aiz n ARG 79 Cb 0.25 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 1aiz n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1aiz s VAL 80 N -3.09 4.94 0.08 1.55 1.01 -1.05 -4.32 120.40 119.52 1aiz s VAL 80 Ca 0.10 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.53 1aiz s VAL 80 Cb 0.15 -4.02 -0.17 0.00 0.00 0.00 0.00 36.38 32.34 1aiz s VAL 80 CO 0.64 -0.24 1.28 0.40 0.00 0.00 0.00 175.10 177.18 1aiz h ILE 81 N 5.62 1.30 -2.23 2.22 2.04 -1.10 -3.48 117.51 121.89 1aiz h ILE 81 Ca -0.27 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 63.62 1aiz h ILE 81 Cb 1.12 2.06 -0.17 0.00 -0.74 0.00 0.00 36.82 39.08 1aiz h ILE 81 CO 0.81 0.61 0.26 0.00 0.00 0.00 0.00 178.15 179.83 1aiz s ALA 82 N -3.70 -1.75 0.05 1.87 0.00 -1.22 -4.98 121.76 112.02 1aiz s ALA 82 Ca -0.11 1.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 1aiz s ALA 82 Cb 0.08 0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.43 1aiz s ALA 82 CO 0.89 -0.49 0.55 -3.38 0.00 0.00 0.00 175.76 173.33 1aiz s HIS 83 N -1.99 -0.47 0.64 0.00 -3.43 -1.26 -1.12 115.29 107.65 1aiz s HIS 83 Ca -0.06 0.55 0.06 0.00 -0.80 0.00 0.00 55.06 54.81 1aiz s HIS 83 Cb -0.00 0.38 0.12 0.00 -1.43 0.00 0.00 32.58 31.64 1aiz s HIS 83 CO 0.02 -0.66 0.88 0.25 -2.00 0.00 0.00 174.74 173.22 1aiz n THR 84 N 0.38 0.00 -2.06 -5.38 -2.24 -0.40 -4.88 114.28 99.70 1aiz n THR 84 Ca -0.18 -1.80 -0.28 0.00 -2.27 0.00 0.00 64.05 59.51 1aiz n THR 84 Cb 0.60 -0.66 0.06 0.00 -2.10 0.00 0.00 70.33 68.24 1aiz n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1aiz s LYS 85 N -4.83 2.45 -0.03 -0.78 1.02 -1.26 -4.63 119.74 111.69 1aiz s LYS 85 Ca 0.63 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 56.44 1aiz s LYS 85 Cb -0.04 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 1aiz s LYS 85 CO 0.41 -1.18 0.92 0.08 -0.92 0.00 0.00 175.35 174.65 1aiz s VAL 86 N -3.33 4.90 0.26 3.17 1.01 -1.26 -4.40 120.40 120.74 1aiz s VAL 86 Ca 0.59 1.91 0.11 0.00 0.00 0.00 0.00 61.98 64.59 1aiz s VAL 86 Cb -0.11 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1aiz s VAL 86 CO 0.48 0.16 -0.19 0.27 0.00 0.00 0.00 175.10 175.82 1aiz s ILE 87 N 1.10 2.30 0.38 2.22 -4.36 0.36 -4.89 121.20 118.31 1aiz s ILE 87 Ca 0.48 -2.34 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 1aiz s ILE 87 Cb -0.20 -2.23 0.04 0.00 1.25 0.00 0.00 42.46 41.32 1aiz s ILE 87 CO 0.24 -0.43 0.30 0.61 0.24 0.00 0.00 174.94 175.91 1aiz n GLY 88 N -0.51 2.76 3.77 6.27 0.00 -1.26 -1.87 105.19 114.35 1aiz n GLY 88 Ca -0.06 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 1aiz n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aiz s GLY 89 N -3.43 2.68 0.00 -0.02 0.00 0.74 -1.80 107.32 105.49 1aiz s GLY 89 Ca 0.23 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.50 1aiz s GLY 89 CO 0.15 2.33 0.00 0.61 0.00 0.00 0.00 173.10 176.19 1aiz n GLY 90 N 1.04 0.83 3.84 0.20 0.00 -0.66 -4.90 105.19 105.55 1aiz n GLY 90 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1aiz n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aiz s GLU 91 N -0.21 2.29 0.11 1.61 2.02 -0.75 -4.97 118.70 118.81 1aiz s GLU 91 Ca 0.00 -1.92 -0.14 0.00 0.02 0.00 0.00 54.97 52.93 1aiz s GLU 91 Cb 0.00 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.19 1aiz s GLU 91 CO 0.00 -0.39 0.35 -1.54 0.02 0.00 0.00 175.26 173.70 1aiz s SER 92 N -4.12 -0.15 0.01 -0.19 1.04 -1.26 -1.81 113.70 107.21 1aiz s SER 92 Ca 0.36 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 1aiz s SER 92 Cb -0.00 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1aiz s SER 92 CO 0.21 -0.82 0.26 -0.62 0.98 0.00 0.00 173.24 173.26 1aiz s ASP 93 N -2.78 -0.10 0.10 7.02 2.15 -0.60 -5.01 116.67 117.45 1aiz s ASP 93 Ca 0.03 -0.10 0.06 0.00 0.43 0.00 0.00 52.55 52.97 1aiz s ASP 93 Cb 0.02 0.30 -0.03 0.00 -0.30 0.00 0.00 42.92 42.91 1aiz s ASP 93 CO -0.11 -0.49 -0.15 -0.44 -0.17 0.00 0.00 175.17 173.80 1aiz s SER 94 N -1.64 1.98 -0.02 -0.34 0.01 -1.26 -0.19 113.70 112.25 1aiz s SER 94 Ca -0.10 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.44 1aiz s SER 94 Cb -0.04 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.13 1aiz s SER 94 CO 0.01 -0.08 0.04 0.54 0.41 0.00 0.00 173.24 174.15 1aiz s VAL 95 N -1.62 -0.02 -0.03 3.43 0.11 -0.11 -4.92 120.40 117.24 1aiz s VAL 95 Ca 0.04 0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1aiz s VAL 95 Cb -0.08 -0.07 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1aiz s VAL 95 CO 0.03 0.04 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.71 1aiz s THR 96 N 0.46 2.23 0.24 5.04 2.01 -1.26 -0.52 115.64 123.84 1aiz s THR 96 Ca -0.04 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 1aiz s THR 96 Cb -0.05 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1aiz s THR 96 CO -0.01 0.58 0.23 0.72 -0.69 0.00 0.00 174.62 175.45 1aiz s PHE 97 N -0.61 1.10 -0.19 4.92 -0.12 0.11 -4.97 117.98 118.22 1aiz s PHE 97 Ca 0.10 -1.30 -0.27 0.00 -0.05 0.00 0.00 56.93 55.41 1aiz s PHE 97 Cb -0.10 -0.42 -0.00 0.00 -0.63 0.00 0.00 43.02 41.86 1aiz s PHE 97 CO -0.01 -0.77 0.93 -0.51 -0.05 0.00 0.00 175.22 174.82 1aiz s ASP 98 N -3.17 7.05 0.46 1.98 1.11 -1.26 -1.29 116.67 121.55 1aiz s ASP 98 Ca 0.36 1.30 0.19 0.00 0.18 0.00 0.00 52.55 54.57 1aiz s ASP 98 Cb 0.05 -2.50 1.13 0.00 1.07 0.00 0.00 42.92 42.66 1aiz s ASP 98 CO 0.14 -0.51 2.00 0.58 1.18 0.00 0.00 175.17 178.56 1aiz h VAL 99 N 5.29 0.96 0.00 -1.27 2.07 -1.48 -0.45 116.25 121.37 1aiz h VAL 99 Ca -0.25 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1aiz h VAL 99 Cb 1.11 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1aiz h VAL 99 CO 0.89 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 177.12 1aiz n SER 100 N -4.07 0.00 0.13 0.57 3.41 -1.26 -1.17 113.62 111.23 1aiz n SER 100 Ca -0.02 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 1aiz n SER 100 Cb 0.26 -0.48 0.40 0.00 -0.26 0.00 0.00 64.21 64.13 1aiz n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1aiz h LYS 101 N 0.00 0.00 -6.20 4.33 1.57 -1.46 -3.44 116.57 111.36 1aiz h LYS 101 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1aiz h LYS 101 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1aiz h LYS 101 CO 0.00 0.00 -0.32 -0.51 -0.57 0.00 0.00 179.45 178.05 1aiz s LEU 102 N -4.77 4.24 -0.18 2.94 1.43 -0.32 -5.08 118.68 116.93 1aiz s LEU 102 Ca 0.09 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1aiz s LEU 102 Cb 0.11 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.07 1aiz s LEU 102 CO 0.57 -0.01 -0.08 -0.89 0.23 0.00 0.00 176.35 176.17 1aiz s THR 103 N -1.78 3.20 0.33 5.49 2.01 -1.26 -5.04 115.64 118.59 1aiz s THR 103 Ca 0.40 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 1aiz s THR 103 Cb -0.12 -2.41 -0.12 0.00 0.01 0.00 0.00 72.50 69.86 1aiz s THR 103 CO 0.27 0.47 1.26 -2.65 -0.69 0.00 0.00 174.62 173.28 1aiz n PRO 104 N 4.31 2.05 -0.06 4.92 -0.02 -1.26 -1.64 135.00 143.29 1aiz n PRO 104 Ca -0.18 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1aiz n PRO 104 Cb 0.51 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1aiz n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aiz n GLY 105 N 0.84 2.25 3.88 -1.23 0.00 -1.26 -5.02 105.19 104.64 1aiz n GLY 105 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1aiz n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aiz s GLU 106 N -0.21 3.66 -0.23 1.61 2.12 -0.65 -5.07 118.70 119.93 1aiz s GLU 106 Ca 0.00 0.04 -0.10 0.00 0.36 0.00 0.00 54.97 55.26 1aiz s GLU 106 Cb 0.00 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 1aiz s GLU 106 CO 0.00 0.60 0.15 0.00 -0.54 0.00 0.00 175.26 175.48 1aiz s ALA 107 N -1.36 3.63 0.15 6.30 0.00 -1.26 -4.40 121.76 124.82 1aiz s ALA 107 Ca 0.30 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.50 1aiz s ALA 107 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1aiz s ALA 107 CO 0.17 -0.11 -0.08 0.71 0.00 0.00 0.00 175.76 176.45 1aiz s TYR 108 N 0.89 2.71 -0.10 0.00 1.51 -0.12 -3.86 117.35 118.38 1aiz s TYR 108 Ca 0.08 -0.18 -0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1aiz s TYR 108 Cb -0.13 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1aiz s TYR 108 CO 0.03 0.48 0.05 0.00 -1.11 0.00 0.00 175.55 174.99 1aiz s ALA 109 N -1.51 3.47 -0.03 3.71 0.00 0.70 -1.01 121.76 127.09 1aiz s ALA 109 Ca 0.24 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.52 1aiz s ALA 109 Cb -0.10 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1aiz s ALA 109 CO 0.15 0.58 -0.24 1.52 0.00 0.00 0.00 175.76 177.77 1aiz s TYR 110 N -0.88 2.40 0.26 0.00 -0.85 -0.67 -1.20 117.35 116.41 1aiz s TYR 110 Ca 0.13 -0.48 -0.18 0.00 -0.52 0.00 0.00 57.07 56.03 1aiz s TYR 110 Cb -0.12 -1.54 0.01 0.00 0.38 0.00 0.00 41.96 40.69 1aiz s TYR 110 CO 0.03 -0.06 0.61 -0.59 -1.52 0.00 0.00 175.55 174.02 1aiz s PHE 111 N -0.50 0.03 -0.18 -3.49 -0.71 -0.41 -0.70 117.98 112.02 1aiz s PHE 111 Ca 0.07 -0.44 -0.15 0.00 -1.04 0.00 0.00 56.93 55.36 1aiz s PHE 111 Cb -0.11 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1aiz s PHE 111 CO 0.00 -1.12 0.36 0.00 -1.34 0.00 0.00 175.22 173.13 1aiz n SER 113 N 4.14 3.40 -4.77 0.00 3.41 -1.26 -2.49 113.62 116.04 1aiz n SER 113 Ca -0.10 -2.09 -0.40 0.00 -0.26 0.00 0.00 58.87 56.02 1aiz n SER 113 Cb 0.51 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1aiz n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1aiz s PHE 114 N -1.35 2.90 -0.33 7.33 2.19 -1.26 -4.40 117.98 123.06 1aiz s PHE 114 Ca 0.41 1.38 -0.41 0.00 0.33 0.00 0.00 56.93 58.63 1aiz s PHE 114 Cb 0.22 -3.73 -0.18 0.00 -1.31 0.00 0.00 43.02 38.02 1aiz s PHE 114 CO 0.25 -2.11 1.32 -2.30 1.83 0.00 0.00 175.22 174.22 1aiz n PRO 115 N 0.52 0.00 -0.82 10.12 -0.02 -1.26 -0.66 135.00 142.87 1aiz n PRO 115 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1aiz n PRO 115 Cb 0.42 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1aiz n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aiz n GLY 116 N 3.03 0.52 0.15 -1.23 0.00 -1.26 -4.89 105.19 101.51 1aiz n GLY 116 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1aiz n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1aiz h HIS 117 N 0.00 0.00 -0.25 1.61 3.86 -1.12 -3.38 115.15 115.87 1aiz h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1aiz h HIS 117 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1aiz h HIS 117 CO 0.04 0.00 0.16 0.11 0.86 0.00 0.00 177.93 179.10 1aiz h TRP 118 N 0.00 0.32 -0.42 2.45 5.08 -1.67 -0.18 115.95 121.52 1aiz h TRP 118 Ca 0.00 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.98 1aiz h TRP 118 Cb 1.00 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 27.03 1aiz h TRP 118 CO 0.00 0.21 0.26 0.00 -1.28 0.00 0.00 178.44 177.63 1aiz h ALA 119 N 1.83 1.67 0.00 0.11 0.00 -1.89 -3.22 119.26 117.75 1aiz h ALA 119 Ca 0.09 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1aiz h ALA 119 Cb -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1aiz h ALA 119 CO -0.02 0.30 -2.02 -1.33 0.00 0.00 0.00 179.25 176.18 1aiz n MET 120 N -4.45 1.56 -3.66 0.00 2.81 -0.87 -4.88 117.12 107.62 1aiz n MET 120 Ca 0.03 -0.01 -0.38 0.00 -1.81 0.00 0.00 57.70 55.53 1aiz n MET 120 Cb 0.07 -1.38 -0.09 0.00 -0.71 0.00 0.00 33.22 31.11 1aiz n MET 120 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1aiz s MET 121 N -2.36 2.64 -0.09 0.03 -1.94 -0.13 -4.82 119.30 112.63 1aiz s MET 121 Ca -0.07 -2.39 -0.20 0.00 -1.71 0.00 0.00 55.69 51.32 1aiz s MET 121 Cb 0.04 -3.83 0.04 0.00 2.01 0.00 0.00 34.83 33.10 1aiz s MET 121 CO 0.61 -1.18 0.47 0.21 -0.01 0.00 0.00 175.02 175.12 1aiz s LYS 122 N 0.20 0.72 0.34 2.03 2.36 -1.26 -1.10 119.74 123.03 1aiz s LYS 122 Ca 0.15 0.28 -0.08 0.00 -2.55 0.00 0.00 55.97 53.77 1aiz s LYS 122 Cb -0.20 0.34 0.03 0.00 -1.05 0.00 0.00 37.83 36.95 1aiz s LYS 122 CO -0.04 -0.17 0.60 0.41 1.55 0.00 0.00 175.35 177.70 1aiz n GLY 123 N 1.84 1.56 3.32 5.54 0.00 0.13 -4.88 105.19 112.70 1aiz n GLY 123 Ca -0.18 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1aiz n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aiz s THR 124 N -2.45 2.31 -0.04 2.61 2.01 0.14 -1.67 115.64 118.55 1aiz s THR 124 Ca 0.19 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.27 1aiz s THR 124 Cb -0.03 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1aiz s THR 124 CO 0.14 0.57 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.21 1aiz s LEU 125 N -0.34 2.27 0.22 4.42 0.20 -0.18 0.16 118.68 125.42 1aiz s LEU 125 Ca 0.02 -0.40 -0.15 0.00 0.69 0.00 0.00 54.13 54.29 1aiz s LEU 125 Cb -0.12 -1.42 0.01 0.00 -0.43 0.00 0.00 46.19 44.23 1aiz s LEU 125 CO 0.02 0.30 0.49 -1.59 -0.29 0.00 0.00 176.35 175.28 1aiz s LYS 126 N -0.49 1.44 0.49 1.98 -2.85 -0.73 -0.94 119.74 118.63 1aiz s LYS 126 Ca 0.06 -1.05 -0.20 0.00 -1.00 0.00 0.00 55.97 53.79 1aiz s LYS 126 Cb -0.11 0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 1aiz s LYS 126 CO 0.01 -0.60 1.03 -0.51 0.10 0.00 0.00 175.35 175.38 1aiz s LEU 127 N -2.94 3.81 0.77 2.77 1.02 -1.26 -0.79 118.68 122.05 1aiz s LEU 127 Ca 0.15 1.88 -0.14 0.00 0.02 0.00 0.00 54.13 56.03 1aiz s LEU 127 Cb -0.01 -4.55 0.06 0.00 0.02 0.00 0.00 46.19 41.71 1aiz s LEU 127 CO 0.02 -0.77 1.23 -0.94 0.02 0.00 0.00 176.35 175.91 1aiz s SER 128 N -2.14 3.83 0.00 2.29 1.04 0.14 -4.77 113.70 114.09 1aiz s SER 128 Ca 0.66 2.43 0.00 0.00 0.48 0.00 0.00 55.95 59.52 1aiz s SER 128 Cb -0.15 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1aiz s SER 128 CO 0.22 -2.51 0.00 -0.46 0.98 0.00 0.00 173.24 171.46