#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 1.39 -0.70 0.00 -2.07 -1.26 -5.10 119.66 111.92 1aiz s GLN 2 Ca 0.00 -0.88 -0.03 0.00 -1.82 0.00 0.00 55.36 52.63 1aiz s GLN 2 Cb 0.00 0.52 0.16 0.00 -1.09 0.00 0.00 33.01 32.60 1aiz s GLN 2 CO 0.00 -0.59 2.48 0.00 -1.32 0.00 0.00 175.29 175.86 1aiz s GLU 4 N -2.41 0.71 0.02 0.00 -1.05 -1.26 -2.07 118.70 112.65 1aiz s GLU 4 Ca 0.55 -0.07 -0.13 0.00 -0.15 0.00 0.00 54.97 55.17 1aiz s GLU 4 Cb 0.36 0.33 0.02 0.00 -0.44 0.00 0.00 34.13 34.40 1aiz s GLU 4 CO -0.25 -0.27 0.28 0.00 0.95 0.00 0.00 175.26 175.96 1aiz s ALA 5 N -2.11 -0.64 -0.12 -0.84 0.00 0.02 -4.96 121.76 113.11 1aiz s ALA 5 Ca 0.01 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.04 1aiz s ALA 5 Cb -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1aiz s ALA 5 CO -0.03 -0.34 -0.17 0.99 0.00 0.00 0.00 175.76 176.21 1aiz s THR 6 N -2.09 2.69 0.01 0.00 2.01 -1.26 -0.42 115.64 116.59 1aiz s THR 6 Ca -0.08 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1aiz s THR 6 Cb -0.03 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1aiz s THR 6 CO -0.01 0.54 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.76 1aiz s ILE 7 N 0.35 1.53 0.02 1.82 2.07 0.12 -4.95 121.20 122.16 1aiz s ILE 7 Ca -0.14 -0.98 0.04 0.00 -1.41 0.00 0.00 60.65 58.17 1aiz s ILE 7 Cb -0.17 -1.30 -0.03 0.00 0.13 0.00 0.00 42.46 41.09 1aiz s ILE 7 CO 0.07 0.30 -0.07 -1.61 -1.91 0.00 0.00 174.94 171.72 1aiz s GLU 8 N -0.79 2.49 0.05 3.50 2.02 -1.26 -1.07 118.70 123.64 1aiz s GLU 8 Ca 0.07 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.36 1aiz s GLU 8 Cb -0.08 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 1aiz s GLU 8 CO 0.00 0.59 -0.21 -1.54 0.02 0.00 0.00 175.26 174.13 1aiz s SER 9 N -1.53 2.46 0.12 -0.19 1.04 0.44 -0.71 113.70 115.34 1aiz s SER 9 Ca 0.18 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.09 1aiz s SER 9 Cb -0.11 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1aiz s SER 9 CO 0.08 0.15 0.07 -0.46 0.98 0.00 0.00 173.24 174.06 1aiz n ASN 10 N 1.78 0.47 0.00 7.02 0.23 -0.89 -0.75 115.26 123.12 1aiz n ASN 10 Ca -0.17 -1.72 0.13 0.00 -0.53 0.00 0.00 54.58 52.28 1aiz n ASN 10 Cb 0.53 0.44 0.65 0.00 -2.08 0.00 0.00 39.78 39.32 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 -2.18 0.00 -1.72 0.53 8.00 -1.26 -2.94 116.55 116.98 1aiz n ASP 11 Ca 0.00 -0.04 0.08 0.00 0.71 0.00 0.00 54.79 55.54 1aiz n ASP 11 Cb 0.20 -0.30 0.38 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.30 3.54 -3.34 2.24 0.00 -1.26 -4.95 120.51 115.43 1aiz n ALA 12 Ca 0.12 -1.83 -0.16 0.00 0.00 0.00 0.00 53.44 51.57 1aiz n ALA 12 Cb 0.22 -1.05 0.08 0.00 0.00 0.00 0.00 19.45 18.70 1aiz n ALA 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1aiz n MET 13 N 0.74 -6.22 -3.97 0.00 1.56 -1.15 -5.01 117.12 103.06 1aiz n MET 13 Ca 0.27 0.78 -0.09 0.00 -0.27 0.00 0.00 57.70 58.39 1aiz n MET 13 Cb 1.07 -5.61 -0.10 0.00 2.15 0.00 0.00 33.22 30.72 1aiz n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1aiz s GLN 14 N -5.33 0.49 0.23 2.12 -0.21 -1.26 -4.34 119.66 111.36 1aiz s GLN 14 Ca 0.04 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.70 1aiz s GLN 14 Cb -0.02 0.19 -0.03 0.00 1.00 0.00 0.00 33.01 34.14 1aiz s GLN 14 CO 0.67 -0.11 0.38 0.71 -2.12 0.00 0.00 175.29 174.83 1aiz s TYR 15 N -2.36 3.47 -0.94 0.91 2.02 -1.26 -2.10 117.35 117.10 1aiz s TYR 15 Ca -0.07 0.13 0.24 0.00 -0.37 0.00 0.00 57.07 56.99 1aiz s TYR 15 Cb -0.03 -1.69 0.24 0.00 -0.40 0.00 0.00 41.96 40.08 1aiz s TYR 15 CO -0.04 0.39 1.22 0.27 -1.57 0.00 0.00 175.55 175.83 1aiz n ASN 16 N -1.17 0.66 -4.32 2.29 6.94 0.11 -4.89 115.26 114.88 1aiz n ASN 16 Ca -0.07 -0.45 -0.32 0.00 -0.02 0.00 0.00 54.58 53.72 1aiz n ASN 16 Cb 0.56 0.53 -0.16 0.00 -2.36 0.00 0.00 39.78 38.35 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 -3.14 2.21 -0.01 -4.53 1.43 -1.26 -4.98 118.68 108.40 1aiz s LEU 17 Ca 0.09 -0.44 0.16 0.00 -1.03 0.00 0.00 54.13 52.91 1aiz s LEU 17 Cb 0.17 -1.41 -0.21 0.00 0.03 0.00 0.00 46.19 44.77 1aiz s LEU 17 CO 0.76 0.28 0.50 0.29 0.23 0.00 0.00 176.35 178.41 1aiz n LYS 18 N 2.71 1.15 -3.75 1.70 4.01 -1.26 -4.76 118.16 117.96 1aiz n LYS 18 Ca -0.17 -0.08 -0.13 0.00 -0.51 0.00 0.00 58.31 57.42 1aiz n LYS 18 Cb 0.52 -1.31 -0.09 0.00 -0.51 0.00 0.00 35.03 33.63 1aiz n LYS 18 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1aiz s GLU 19 N -2.80 0.55 -0.02 1.97 -1.05 -1.26 -0.03 118.70 116.07 1aiz s GLU 19 Ca -0.00 0.18 0.05 0.00 -0.15 0.00 0.00 54.97 55.04 1aiz s GLU 19 Cb 0.11 0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 34.05 1aiz s GLU 19 CO 0.65 -0.12 -0.16 -1.64 0.95 0.00 0.00 175.26 174.95 1aiz s MET 20 N -0.54 1.35 -0.12 -4.83 -1.94 0.17 -4.95 119.30 108.44 1aiz s MET 20 Ca -0.07 -0.56 0.02 0.00 -1.71 0.00 0.00 55.69 53.38 1aiz s MET 20 Cb -0.04 -1.27 -0.01 0.00 2.01 0.00 0.00 34.83 35.52 1aiz s MET 20 CO 0.02 0.31 -0.19 0.08 -0.01 0.00 0.00 175.02 175.23 1aiz s VAL 21 N -0.26 2.50 -0.23 -6.03 1.01 -1.26 -1.53 120.40 114.60 1aiz s VAL 21 Ca 0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1aiz s VAL 21 Cb -0.07 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1aiz s VAL 21 CO -0.00 0.54 0.09 0.68 0.00 0.00 0.00 175.10 176.41 1aiz s VAL 22 N 0.37 4.66 0.30 2.92 -7.23 0.40 -4.96 120.40 116.86 1aiz s VAL 22 Ca -0.15 -0.06 -0.29 0.00 -1.81 0.00 0.00 61.98 59.67 1aiz s VAL 22 Cb -0.17 -3.16 -0.10 0.00 0.56 0.00 0.00 36.38 33.51 1aiz s VAL 22 CO 0.07 0.36 1.44 -0.62 -0.31 0.00 0.00 175.10 176.04 1aiz s ASP 23 N 1.22 6.58 0.26 4.85 2.15 -1.26 -1.49 116.67 128.99 1aiz s ASP 23 Ca 0.05 2.79 0.19 0.00 0.43 0.00 0.00 52.55 56.01 1aiz s ASP 23 Cb -0.14 -2.64 0.98 0.00 -0.30 0.00 0.00 42.92 40.81 1aiz s ASP 23 CO 0.04 -0.72 1.59 0.29 -0.17 0.00 0.00 175.17 176.19 1aiz n LYS 24 N 1.54 0.13 0.00 4.34 5.02 -0.55 -1.40 118.16 127.23 1aiz n LYS 24 Ca 0.04 0.56 0.15 0.00 -2.02 0.00 0.00 58.31 57.04 1aiz n LYS 24 Cb 0.40 -1.87 0.70 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.14 0.11 -4.72 4.39 3.41 -1.26 -4.86 113.62 108.55 1aiz n SER 25 Ca -0.00 -0.17 -0.40 0.00 -0.26 0.00 0.00 58.87 58.03 1aiz n SER 25 Cb 0.08 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 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 3.63 0.73 -4.33 0.00 0.00 -1.26 -4.75 118.16 112.19 1aiz n LYS 27 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 58.31 58.33 1aiz n LYS 27 Cb 0.51 -1.73 -0.12 0.00 0.00 0.00 0.00 35.03 33.69 1aiz n LYS 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1aiz s GLN 28 N -2.57 1.26 -0.01 1.64 -0.21 -1.26 -0.83 119.66 117.68 1aiz s GLN 28 Ca -0.19 -1.30 0.01 0.00 0.02 0.00 0.00 55.36 53.90 1aiz s GLN 28 Cb 0.07 -1.51 0.00 0.00 1.00 0.00 0.00 33.01 32.57 1aiz s GLN 28 CO 0.78 0.34 -0.03 0.12 -2.12 0.00 0.00 175.29 174.38 1aiz s PHE 29 N -1.43 0.37 -0.15 0.91 5.36 -0.35 -4.77 117.98 117.92 1aiz s PHE 29 Ca 0.12 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 1aiz s PHE 29 Cb -0.09 -0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.30 1aiz s PHE 29 CO 0.06 -0.04 -0.15 0.99 -1.46 0.00 0.00 175.22 174.62 1aiz s THR 30 N 0.18 2.78 -0.19 0.12 2.01 -0.88 0.71 115.64 120.36 1aiz s THR 30 Ca -0.02 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1aiz s THR 30 Cb -0.05 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1aiz s THR 30 CO -0.00 0.52 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.73 1aiz s VAL 31 N 0.69 3.82 -0.34 3.82 1.01 0.21 -0.80 120.40 128.82 1aiz s VAL 31 Ca -0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1aiz s VAL 31 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1aiz s VAL 31 CO 0.02 0.44 0.16 -1.00 0.00 0.00 0.00 175.10 174.72 1aiz s HIS 32 N 0.95 3.21 -0.16 5.22 3.76 0.45 -0.84 115.29 127.87 1aiz s HIS 32 Ca 0.01 -0.88 -0.07 0.00 -0.15 0.00 0.00 55.06 53.96 1aiz s HIS 32 Cb -0.14 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1aiz s HIS 32 CO 0.01 -0.58 0.09 -1.17 -0.85 0.00 0.00 174.74 172.24 1aiz s LEU 33 N 1.55 4.02 -0.01 0.89 2.96 0.12 0.15 118.68 128.37 1aiz s LEU 33 Ca 0.03 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.24 1aiz s LEU 33 Cb -0.18 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1aiz s LEU 33 CO 0.06 0.27 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.57 1aiz s LYS 34 N -0.18 1.93 -0.45 1.98 1.02 -0.24 -1.12 119.74 122.68 1aiz s LYS 34 Ca 0.09 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.13 1aiz s LYS 34 Cb -0.12 -1.89 0.12 0.00 -0.52 0.00 0.00 37.83 35.42 1aiz s LYS 34 CO 0.01 0.52 0.28 -1.58 -0.92 0.00 0.00 175.35 173.65 1aiz s HIS 35 N -0.60 3.52 -1.44 3.18 5.65 -0.29 -0.42 115.29 124.88 1aiz s HIS 35 Ca 0.09 -2.22 0.29 0.00 0.25 0.00 0.00 55.06 53.48 1aiz s HIS 35 Cb -0.09 -3.34 1.34 0.00 -1.18 0.00 0.00 32.58 29.31 1aiz s HIS 35 CO -0.01 -0.98 1.94 0.28 -0.65 0.00 0.00 174.74 175.33 1aiz n VAL 36 N 4.65 0.00 -1.72 0.89 0.31 0.07 0.03 118.33 122.56 1aiz n VAL 36 Ca -0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1aiz n VAL 36 Cb 0.41 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1aiz n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aiz n GLY 37 N 1.32 0.97 0.10 2.92 0.00 -1.25 -4.79 105.19 104.46 1aiz n GLY 37 Ca 0.13 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.39 1.25 -3.00 1.61 2.85 -1.26 -2.41 118.16 116.81 1aiz n LYS 38 Ca 0.00 -1.34 -0.33 0.00 -1.05 0.00 0.00 58.31 55.59 1aiz n LYS 38 Cb 0.00 -0.87 -0.06 0.00 -0.65 0.00 0.00 35.03 33.45 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 -0.91 4.14 0.70 -1.58 -1.94 -1.26 -4.73 119.30 113.73 1aiz s MET 39 Ca 0.06 0.89 -0.15 0.00 -1.71 0.00 0.00 55.69 54.78 1aiz s MET 39 Cb 0.06 -2.42 0.02 0.00 2.01 0.00 0.00 34.83 34.50 1aiz s MET 39 CO 0.01 0.13 1.16 0.00 -0.01 0.00 0.00 175.02 176.30 1aiz s ALA 40 N -1.98 2.27 0.22 3.03 0.00 -1.26 -0.52 121.76 123.53 1aiz s ALA 40 Ca 0.55 0.73 0.34 0.00 0.00 0.00 0.00 51.96 53.58 1aiz s ALA 40 Cb -0.11 -3.40 1.51 0.00 0.00 0.00 0.00 23.12 21.12 1aiz s ALA 40 CO 0.17 -1.61 2.04 1.57 0.00 0.00 0.00 175.76 177.93 1aiz h LYS 41 N -0.15 0.00 0.00 0.00 2.10 -1.86 0.21 116.57 116.87 1aiz h LYS 41 Ca -0.47 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.10 1aiz h LYS 41 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1aiz h LYS 41 CO 0.52 0.03 -0.37 0.28 -2.00 0.00 0.00 179.45 177.91 1aiz h VAL 42 N 0.00 0.87 0.01 0.07 2.07 -1.94 -1.60 116.25 115.72 1aiz h VAL 42 Ca -0.00 -1.50 -0.42 0.00 0.82 0.00 0.00 66.70 65.60 1aiz h VAL 42 Cb 0.44 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 1aiz h VAL 42 CO 0.00 0.36 -2.41 0.00 0.02 0.00 0.00 177.57 175.54 1aiz n ALA 43 N -2.29 1.25 -2.75 1.67 0.00 -0.70 -4.78 120.51 112.90 1aiz n ALA 43 Ca -0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 1aiz n ALA 43 Cb 0.51 -0.05 0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -3.83 1.11 -2.04 0.00 0.00 -0.02 -5.01 117.12 107.32 1aiz n MET 44 Ca -0.49 -3.20 -0.33 0.00 -0.00 0.00 0.00 57.70 53.69 1aiz n MET 44 Cb 0.92 -1.27 0.01 0.00 0.00 0.00 0.00 33.22 32.89 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 -2.90 2.17 0.02 -5.12 0.00 -0.60 -4.78 107.32 96.11 1aiz s GLY 45 Ca 0.29 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1aiz s GLY 45 CO 0.01 0.77 -0.04 0.30 0.00 0.00 0.00 173.10 174.15 1aiz s HIS 46 N -2.38 0.32 0.23 1.90 3.76 -0.72 -4.75 115.29 113.65 1aiz s HIS 46 Ca 0.65 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 1aiz s HIS 46 Cb -0.17 -0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 1aiz s HIS 46 CO 0.36 -0.15 0.20 0.27 -0.85 0.00 0.00 174.74 174.57 1aiz n ASN 47 N 1.72 -0.50 -3.65 1.40 0.23 -1.26 -0.36 115.26 112.84 1aiz n ASN 47 Ca -0.23 -2.51 -0.18 0.00 -0.53 0.00 0.00 54.58 51.13 1aiz n ASN 47 Cb 0.55 1.17 -0.16 0.00 -2.08 0.00 0.00 39.78 39.26 1aiz n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1aiz s TRP 48 N -2.95 -0.12 -0.04 -2.53 -0.00 -1.26 -4.23 118.94 107.82 1aiz s TRP 48 Ca 0.27 0.46 0.05 0.00 -0.00 0.00 0.00 56.10 56.88 1aiz s TRP 48 Cb 0.01 -0.34 -0.01 0.00 -0.00 0.00 0.00 33.47 33.14 1aiz s TRP 48 CO 0.19 -0.30 -0.20 0.08 -0.00 0.00 0.00 176.95 176.72 1aiz s VAL 49 N 2.26 1.65 -0.14 5.86 1.01 0.59 -1.55 120.40 130.08 1aiz s VAL 49 Ca 0.04 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1aiz s VAL 49 Cb -0.13 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1aiz s VAL 49 CO -0.06 0.47 -0.16 -0.22 0.00 0.00 0.00 175.10 175.13 1aiz s LEU 50 N -0.16 2.50 0.26 3.92 2.96 0.11 -0.81 118.68 127.46 1aiz s LEU 50 Ca -0.00 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 1aiz s LEU 50 Cb -0.11 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1aiz s LEU 50 CO 0.02 0.12 0.42 0.42 -1.32 0.00 0.00 176.35 176.01 1aiz s THR 51 N 0.61 0.00 0.53 3.68 -4.23 -0.50 -0.40 115.64 115.33 1aiz s THR 51 Ca -0.09 -1.55 -0.21 0.00 -1.18 0.00 0.00 61.69 58.66 1aiz s THR 51 Cb -0.16 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 1aiz s THR 51 CO 0.03 0.00 1.25 -0.54 -0.54 0.00 0.00 174.62 174.82 1aiz s LYS 52 N -3.78 3.28 0.59 3.99 1.02 -1.26 -0.72 119.74 122.86 1aiz s LYS 52 Ca 0.27 1.96 0.29 0.00 0.02 0.00 0.00 55.97 58.52 1aiz s LYS 52 Cb 0.01 -2.20 1.63 0.00 -0.52 0.00 0.00 37.83 36.75 1aiz s LYS 52 CO 0.12 -1.00 2.05 1.49 -0.92 0.00 0.00 175.35 177.10 1aiz h GLU 53 N 1.46 0.00 -0.04 1.68 4.81 -1.88 -1.46 114.58 119.15 1aiz h GLU 53 Ca -0.50 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1aiz h GLU 53 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1aiz h GLU 53 CO 0.57 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.81 1aiz h ALA 54 N 1.69 0.06 0.00 2.92 0.00 -1.89 -3.24 119.26 118.79 1aiz h ALA 54 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1aiz h ALA 54 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1aiz h ALA 54 CO -0.00 -0.15 0.00 -0.25 0.00 0.00 0.00 179.25 178.85 1aiz n ASP 55 N -4.77 0.00 0.00 0.00 8.00 -0.56 -4.46 116.55 114.76 1aiz n ASP 55 Ca -0.08 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1aiz n ASP 55 Cb 0.28 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1aiz n ASP 55 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1aiz n LYS 56 N -1.39 0.00 0.09 -1.24 4.81 -1.19 -1.09 118.16 118.14 1aiz n LYS 56 Ca 0.07 0.61 0.12 0.00 -0.87 0.00 0.00 58.31 58.24 1aiz n LYS 56 Cb 0.18 -1.02 0.60 0.00 0.02 0.00 0.00 35.03 34.81 1aiz n LYS 56 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1aiz h GLN 57 N 0.00 0.14 -0.08 1.64 4.20 -1.86 0.47 115.11 119.62 1aiz h GLN 57 Ca 0.00 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1aiz h GLN 57 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1aiz h GLN 57 CO 0.00 0.09 -0.34 0.78 -0.67 0.00 0.00 178.83 178.69 1aiz h GLY 58 N 0.14 0.41 1.12 3.46 0.00 -1.81 -1.31 103.07 105.08 1aiz h GLY 58 Ca 0.14 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 1aiz h GLY 58 CO -0.02 0.50 -0.35 -2.08 0.00 0.00 0.00 176.54 174.59 1aiz h VAL 59 N -0.10 1.27 -0.82 4.60 2.07 -0.83 -1.46 116.25 121.00 1aiz h VAL 59 Ca -0.02 -1.52 0.05 0.00 0.82 0.00 0.00 66.70 66.03 1aiz h VAL 59 Cb 0.98 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1aiz h VAL 59 CO 0.07 0.51 0.51 0.00 0.02 0.00 0.00 177.57 178.68 1aiz h ALA 60 N 0.79 1.10 0.29 1.67 0.00 -0.89 0.19 119.26 122.41 1aiz h ALA 60 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1aiz h ALA 60 Cb 0.94 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1aiz h ALA 60 CO 0.09 0.29 -0.14 1.15 0.00 0.00 0.00 179.25 180.63 1aiz h THR 61 N 0.96 0.66 -0.40 0.00 2.02 -1.11 -1.20 112.91 113.85 1aiz h THR 61 Ca 0.34 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1aiz h THR 61 Cb 0.09 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1aiz h THR 61 CO -0.14 0.13 0.21 0.44 0.37 0.00 0.00 175.52 176.52 1aiz h ASP 62 N -0.83 0.48 0.08 4.18 3.32 -1.23 -1.54 116.42 120.87 1aiz h ASP 62 Ca -0.04 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1aiz h ASP 62 Cb 0.52 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1aiz h ASP 62 CO 0.07 0.39 -0.04 1.23 -1.72 0.00 0.00 179.24 179.17 1aiz h GLY 63 N 0.63 -0.11 0.03 2.75 0.00 -0.50 -1.84 103.07 104.03 1aiz h GLY 63 Ca 0.14 0.04 0.17 0.00 0.00 0.00 0.00 47.33 47.68 1aiz h GLY 63 CO -0.02 -0.04 0.37 1.98 0.00 0.00 0.00 176.54 178.83 1aiz h MET 64 N -0.38 0.46 0.00 4.80 1.85 -0.95 0.21 114.93 120.92 1aiz h MET 64 Ca -0.01 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1aiz h MET 64 Cb 0.33 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.26 1aiz h MET 64 CO 0.02 0.30 0.00 -0.91 -0.40 0.00 0.00 176.91 175.92 1aiz h ASN 65 N 0.47 0.00 1.40 1.39 2.35 -0.88 -3.11 115.58 117.20 1aiz h ASN 65 Ca 0.48 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.14 1aiz h ASN 65 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 1aiz h ASN 65 CO -0.44 0.00 -0.43 0.00 -1.65 0.00 0.00 177.43 174.91 1aiz h ALA 66 N 2.21 0.76 0.00 -0.83 0.00 0.25 -3.50 119.26 118.15 1aiz h ALA 66 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1aiz h ALA 66 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1aiz h ALA 66 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1aiz n GLY 67 N 0.99 0.04 0.34 0.00 0.00 -1.18 -4.35 105.19 101.03 1aiz n GLY 67 Ca 0.02 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 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 0.93 -1.37 0.99 5.85 -1.92 -1.38 115.31 118.41 1aiz h LEU 68 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1aiz h LEU 68 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1aiz h LEU 68 CO 0.00 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 1aiz h ALA 69 N 1.39 1.00 -0.44 1.25 0.00 -2.02 0.16 119.26 120.60 1aiz h ALA 69 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1aiz h ALA 69 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1aiz h ALA 69 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.25 1aiz n GLN 70 N -2.35 3.16 -2.58 0.00 1.13 -0.78 -4.94 117.38 111.02 1aiz n GLN 70 Ca -0.01 -2.55 -0.19 0.00 -1.94 0.00 0.00 57.00 52.31 1aiz n GLN 70 Cb 0.10 -1.63 -0.00 0.00 0.11 0.00 0.00 30.24 28.82 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 0.52 -5.43 -3.42 1.08 8.00 0.56 -2.24 116.55 115.62 1aiz n ASP 71 Ca 0.19 -0.04 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 1aiz n ASP 71 Cb 0.70 -4.50 0.02 0.00 -0.02 0.00 0.00 41.12 37.32 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 -3.97 -2.07 -3.75 1.24 4.01 -0.59 -4.63 117.16 107.39 1aiz n TYR 72 Ca -0.19 0.64 -0.18 0.00 -0.16 0.00 0.00 57.90 58.02 1aiz n TYR 72 Cb 0.65 -3.88 -0.17 0.00 -0.31 0.00 0.00 39.34 35.63 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 -3.14 -0.01 0.01 -0.72 1.01 -0.95 -4.01 120.40 112.59 1aiz s VAL 73 Ca 0.46 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1aiz s VAL 73 Cb -0.22 -0.17 -0.08 0.00 0.00 0.00 0.00 36.38 35.90 1aiz s VAL 73 CO 0.56 0.15 1.96 -0.75 0.00 0.00 0.00 175.10 177.02 1aiz s LYS 74 N 1.59 4.08 0.10 2.72 2.20 -1.26 -4.85 119.74 124.32 1aiz s LYS 74 Ca -0.02 2.54 -0.35 0.00 -0.36 0.00 0.00 55.97 57.78 1aiz s LYS 74 Cb -0.13 -4.16 -0.15 0.00 -1.51 0.00 0.00 37.83 31.88 1aiz s LYS 74 CO -0.03 -1.02 1.52 0.00 -0.36 0.00 0.00 175.35 175.47 1aiz n ALA 75 N 7.76 0.43 -1.30 3.13 0.00 -1.26 -0.64 120.51 128.63 1aiz n ALA 75 Ca 0.20 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 54.00 1aiz n ALA 75 Cb 0.41 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 1aiz n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aiz n GLY 76 N 3.21 1.15 3.68 0.00 0.00 -1.26 -4.93 105.19 107.04 1aiz n GLY 76 Ca 0.18 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.80 6.49 0.10 1.61 -1.08 0.19 -4.83 116.67 116.36 1aiz s ASP 77 Ca 0.00 2.62 0.27 0.00 -0.52 0.00 0.00 52.55 54.92 1aiz s ASP 77 Cb 0.00 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.93 1aiz s ASP 77 CO 0.00 -1.00 1.85 0.35 0.52 0.00 0.00 175.17 176.89 1aiz n THR 78 N 5.14 0.31 1.57 1.71 -2.24 -1.26 -3.10 114.28 116.41 1aiz n THR 78 Ca 0.18 -0.13 0.15 0.00 -2.27 0.00 0.00 64.05 61.98 1aiz n THR 78 Cb 0.40 -0.55 0.73 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.88 0.77 -3.55 -0.78 1.74 -1.26 -4.71 116.66 106.99 1aiz n ARG 79 Ca 0.06 -0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 1aiz n ARG 79 Cb 0.38 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.34 4.90 0.13 1.55 1.01 -1.18 -4.26 120.40 120.21 1aiz s VAL 80 Ca 0.34 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 1aiz s VAL 80 Cb 0.21 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 1aiz s VAL 80 CO 0.43 -0.18 1.39 0.40 0.00 0.00 0.00 175.10 177.13 1aiz h ILE 81 N 5.71 1.29 -2.00 2.22 2.04 -1.01 -3.47 117.51 122.29 1aiz h ILE 81 Ca -0.28 -1.85 0.09 0.00 1.00 0.00 0.00 64.86 63.83 1aiz h ILE 81 Cb 1.12 1.79 -0.18 0.00 -0.74 0.00 0.00 36.82 38.81 1aiz h ILE 81 CO 0.68 0.59 0.50 0.00 0.00 0.00 0.00 178.15 179.91 1aiz s ALA 82 N -3.95 -1.86 -0.03 1.87 0.00 -1.22 -4.94 121.76 111.63 1aiz s ALA 82 Ca -0.10 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 1aiz s ALA 82 Cb 0.10 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.28 1aiz s ALA 82 CO 0.89 -0.53 0.73 -3.38 0.00 0.00 0.00 175.76 173.46 1aiz s HIS 83 N -2.28 -0.58 0.69 0.00 -3.43 -1.26 0.09 115.29 108.53 1aiz s HIS 83 Ca 0.02 0.86 0.02 0.00 -0.80 0.00 0.00 55.06 55.16 1aiz s HIS 83 Cb -0.01 0.45 0.13 0.00 -1.43 0.00 0.00 32.58 31.73 1aiz s HIS 83 CO -0.04 -0.61 0.95 0.25 -2.00 0.00 0.00 174.74 173.29 1aiz n THR 84 N 0.59 0.00 -2.07 -5.38 -2.24 -0.59 -4.87 114.28 99.71 1aiz n THR 84 Ca -0.17 -1.66 -0.27 0.00 -2.27 0.00 0.00 64.05 59.69 1aiz n THR 84 Cb 0.59 -0.80 0.08 0.00 -2.10 0.00 0.00 70.33 68.09 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 -4.99 2.05 -0.04 -0.78 1.02 -1.26 -4.67 119.74 111.07 1aiz s LYS 85 Ca 0.65 -0.12 -0.23 0.00 0.02 0.00 0.00 55.97 56.29 1aiz s LYS 85 Cb -0.04 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 1aiz s LYS 85 CO 0.43 -1.42 0.68 0.08 -0.92 0.00 0.00 175.35 174.19 1aiz s VAL 86 N -3.40 4.97 0.23 3.17 1.01 -1.26 -4.36 120.40 120.77 1aiz s VAL 86 Ca 0.61 1.41 0.11 0.00 0.00 0.00 0.00 61.98 64.11 1aiz s VAL 86 Cb -0.11 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1aiz s VAL 86 CO 0.47 0.31 -0.20 0.27 0.00 0.00 0.00 175.10 175.95 1aiz s ILE 87 N 0.45 2.23 0.54 2.22 -4.36 0.51 -4.89 121.20 117.91 1aiz s ILE 87 Ca 0.36 -2.23 0.06 0.00 -0.26 0.00 0.00 60.65 58.57 1aiz s ILE 87 Cb -0.18 -2.16 0.04 0.00 1.25 0.00 0.00 42.46 41.41 1aiz s ILE 87 CO 0.18 -0.37 0.40 -0.83 0.24 0.00 0.00 174.94 174.57 1aiz s GLY 88 N -3.19 2.36 0.18 6.27 0.00 -1.26 -1.76 107.32 109.92 1aiz s GLY 88 Ca 0.25 -1.29 -0.32 0.00 0.00 0.00 0.00 44.72 43.36 1aiz s GLY 88 CO 0.11 -1.93 1.05 0.61 0.00 0.00 0.00 173.10 172.94 1aiz n GLY 89 N -1.76 -0.26 1.62 0.20 0.00 0.33 -2.49 105.19 102.83 1aiz n GLY 89 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1aiz n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aiz n GLY 90 N 1.84 1.57 3.96 -0.02 0.00 0.10 -4.84 105.19 107.81 1aiz n GLY 90 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.46 2.35 0.12 1.61 2.02 -1.04 -4.94 118.70 118.36 1aiz s GLU 91 Ca 0.00 -1.76 -0.16 0.00 0.02 0.00 0.00 54.97 53.08 1aiz s GLU 91 Cb 0.00 -2.40 0.03 0.00 0.10 0.00 0.00 34.13 31.87 1aiz s GLU 91 CO 0.00 -0.64 0.39 -1.54 0.02 0.00 0.00 175.26 173.49 1aiz s SER 92 N -4.42 -0.21 0.05 -0.19 1.04 -1.26 -1.14 113.70 107.56 1aiz s SER 92 Ca 0.48 -0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.40 1aiz s SER 92 Cb -0.04 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.58 1aiz s SER 92 CO 0.30 -0.85 0.40 -0.62 0.98 0.00 0.00 173.24 173.45 1aiz s ASP 93 N -2.81 -0.27 0.08 7.02 2.15 -0.28 -5.00 116.67 117.56 1aiz s ASP 93 Ca 0.03 -0.03 0.04 0.00 0.43 0.00 0.00 52.55 53.02 1aiz s ASP 93 Cb 0.02 0.42 -0.03 0.00 -0.30 0.00 0.00 42.92 43.03 1aiz s ASP 93 CO -0.12 -0.67 -0.11 -0.44 -0.17 0.00 0.00 175.17 173.66 1aiz s SER 94 N -2.03 1.45 -0.01 -0.34 0.01 -1.26 0.14 113.70 111.67 1aiz s SER 94 Ca -0.05 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1aiz s SER 94 Cb -0.01 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1aiz s SER 94 CO -0.03 -0.17 0.00 0.54 0.41 0.00 0.00 173.24 173.99 1aiz s VAL 95 N -1.77 0.02 -0.13 3.43 0.11 -0.02 -4.92 120.40 117.11 1aiz s VAL 95 Ca -0.00 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1aiz s VAL 95 Cb -0.07 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1aiz s VAL 95 CO 0.01 0.04 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.79 1aiz s THR 96 N 0.32 2.98 0.22 5.04 2.01 -1.26 -0.61 115.64 124.33 1aiz s THR 96 Ca -0.03 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1aiz s THR 96 Cb -0.04 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1aiz s THR 96 CO -0.01 0.53 -0.00 0.72 -0.69 0.00 0.00 174.62 175.17 1aiz s PHE 97 N 0.36 1.48 -0.21 4.92 -0.71 0.22 -4.94 117.98 119.10 1aiz s PHE 97 Ca -0.11 -0.94 -0.28 0.00 -1.04 0.00 0.00 56.93 54.55 1aiz s PHE 97 Cb -0.16 -0.85 0.00 0.00 -1.21 0.00 0.00 43.02 40.80 1aiz s PHE 97 CO 0.06 -0.08 0.99 0.34 -1.34 0.00 0.00 175.22 175.19 1aiz s ASP 98 N -3.28 7.07 0.44 1.98 -1.08 -1.26 -1.21 116.67 119.32 1aiz s ASP 98 Ca 0.28 1.33 0.17 0.00 -0.52 0.00 0.00 52.55 53.81 1aiz s ASP 98 Cb 0.06 -2.52 0.99 0.00 -1.46 0.00 0.00 42.92 39.99 1aiz s ASP 98 CO 0.08 -0.61 1.95 0.58 0.52 0.00 0.00 175.17 177.69 1aiz h VAL 99 N 5.39 1.05 -0.38 1.11 2.07 -1.28 -2.58 116.25 121.63 1aiz h VAL 99 Ca -0.22 -0.84 0.11 0.00 0.82 0.00 0.00 66.70 66.57 1aiz h VAL 99 Cb 1.08 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1aiz h VAL 99 CO 0.94 0.23 0.48 0.28 0.02 0.00 0.00 177.57 179.52 1aiz h SER 100 N 0.00 0.00 0.94 0.57 0.02 -1.89 0.31 113.55 113.49 1aiz h SER 100 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1aiz h SER 100 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1aiz h SER 100 CO 0.03 0.00 0.00 0.11 -1.14 0.00 0.00 176.83 175.83 1aiz h LYS 101 N 0.00 0.00 -6.21 3.45 1.57 -1.85 -3.44 116.57 110.10 1aiz h LYS 101 Ca 0.18 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.39 1aiz h LYS 101 Cb 1.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1aiz h LYS 101 CO -0.00 0.00 -0.29 -0.51 -0.57 0.00 0.00 179.45 178.07 1aiz s LEU 102 N -5.66 4.24 -0.21 2.94 1.43 0.11 -5.08 118.68 116.45 1aiz s LEU 102 Ca 0.02 0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 53.66 1aiz s LEU 102 Cb 0.09 -3.33 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 1aiz s LEU 102 CO 0.50 0.02 -0.01 -0.89 0.23 0.00 0.00 176.35 176.20 1aiz s THR 103 N -1.72 3.81 0.41 5.49 2.01 -1.26 -5.05 115.64 119.33 1aiz s THR 103 Ca 0.41 -0.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 1aiz s THR 103 Cb -0.12 -2.73 -0.10 0.00 0.01 0.00 0.00 72.50 69.56 1aiz s THR 103 CO 0.25 0.42 1.29 -2.65 -0.69 0.00 0.00 174.62 173.24 1aiz n PRO 104 N 4.41 2.00 0.00 4.92 -0.02 -1.26 -2.04 135.00 143.02 1aiz n PRO 104 Ca -0.17 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1aiz n PRO 104 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.78 2.95 3.85 -1.23 0.00 -1.26 -5.00 105.19 105.28 1aiz n GLY 105 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.07 3.83 0.06 1.61 2.12 -0.86 -5.05 118.70 120.34 1aiz s GLU 106 Ca 0.00 0.83 0.07 0.00 0.36 0.00 0.00 54.97 56.22 1aiz s GLU 106 Cb 0.00 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 1aiz s GLU 106 CO 0.00 -0.31 -0.14 0.00 -0.54 0.00 0.00 175.26 174.27 1aiz s ALA 107 N -2.73 2.76 0.09 6.30 0.00 -1.26 -4.52 121.76 122.40 1aiz s ALA 107 Ca 0.57 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 51.42 1aiz s ALA 107 Cb -0.10 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1aiz s ALA 107 CO 0.37 0.60 -0.22 0.71 0.00 0.00 0.00 175.76 177.22 1aiz s TYR 108 N -1.03 1.88 -0.06 0.00 2.02 -0.69 -3.53 117.35 115.93 1aiz s TYR 108 Ca 0.17 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1aiz s TYR 108 Cb -0.11 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1aiz s TYR 108 CO 0.08 0.19 0.07 0.00 -1.57 0.00 0.00 175.55 174.33 1aiz s ALA 109 N -1.05 3.58 0.01 3.71 0.00 0.10 0.05 121.76 128.16 1aiz s ALA 109 Ca 0.08 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1aiz s ALA 109 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1aiz s ALA 109 CO 0.04 0.64 -0.19 1.52 0.00 0.00 0.00 175.76 177.77 1aiz s TYR 110 N -1.05 1.69 0.29 0.00 -0.85 -0.62 -1.41 117.35 115.40 1aiz s TYR 110 Ca 0.18 -0.34 -0.20 0.00 -0.52 0.00 0.00 57.07 56.19 1aiz s TYR 110 Cb -0.12 -1.05 0.03 0.00 0.38 0.00 0.00 41.96 41.19 1aiz s TYR 110 CO 0.08 0.02 0.74 -0.59 -1.52 0.00 0.00 175.55 174.27 1aiz s PHE 111 N -0.60 -0.14 -0.25 -3.49 -0.71 0.01 -0.60 117.98 112.20 1aiz s PHE 111 Ca 0.07 -0.35 -0.09 0.00 -1.04 0.00 0.00 56.93 55.52 1aiz s PHE 111 Cb -0.08 0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 42.42 1aiz s PHE 111 CO 0.00 -1.28 0.13 0.00 -1.34 0.00 0.00 175.22 172.72 1aiz n SER 113 N 4.72 2.36 -4.77 0.00 3.41 -1.26 -1.74 113.62 116.35 1aiz n SER 113 Ca -0.15 -1.84 -0.40 0.00 -0.26 0.00 0.00 58.87 56.22 1aiz n SER 113 Cb 0.52 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.66 2.72 -0.41 7.33 2.19 -1.26 -4.23 117.98 122.66 1aiz s PHE 114 Ca 0.34 1.34 -0.38 0.00 0.33 0.00 0.00 56.93 58.56 1aiz s PHE 114 Cb 0.19 -3.79 -0.16 0.00 -1.31 0.00 0.00 43.02 37.95 1aiz s PHE 114 CO 0.28 -2.42 1.40 -2.30 1.83 0.00 0.00 175.22 174.01 1aiz n PRO 115 N 0.18 0.00 -0.59 10.12 -0.02 -1.26 -1.44 135.00 141.99 1aiz n PRO 115 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1aiz n PRO 115 Cb 0.42 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 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 3.86 1.52 0.16 -1.23 0.00 -1.26 -4.89 105.19 103.35 1aiz n GLY 116 Ca 0.29 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 1.61 3.86 -1.46 -3.35 115.15 115.82 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 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1aiz h HIS 117 CO 0.00 0.10 -0.01 0.11 0.86 0.00 0.00 177.93 178.98 1aiz h TRP 118 N 0.00 0.00 -0.08 2.45 5.08 -1.52 -0.81 115.95 121.06 1aiz h TRP 118 Ca -0.01 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.84 1aiz h TRP 118 Cb 1.09 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.23 1aiz h TRP 118 CO 0.00 0.01 -0.48 0.00 -1.28 0.00 0.00 178.44 176.70 1aiz h ALA 119 N 1.99 1.04 0.00 0.11 0.00 -1.87 -3.35 119.26 117.17 1aiz h ALA 119 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1aiz h ALA 119 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1aiz h ALA 119 CO 0.00 0.63 -1.67 -1.33 0.00 0.00 0.00 179.25 176.88 1aiz n MET 120 N -3.97 1.16 -3.62 0.00 2.81 -0.90 -4.87 117.12 107.73 1aiz n MET 120 Ca -0.02 -0.07 -0.38 0.00 -1.81 0.00 0.00 57.70 55.43 1aiz n MET 120 Cb 0.52 -1.30 -0.07 0.00 -0.71 0.00 0.00 33.22 31.67 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 -2.60 3.02 -0.05 0.03 -1.94 -0.36 -4.77 119.30 112.63 1aiz s MET 121 Ca -0.05 -2.81 -0.14 0.00 -1.71 0.00 0.00 55.69 50.98 1aiz s MET 121 Cb 0.06 -3.94 0.03 0.00 2.01 0.00 0.00 34.83 32.98 1aiz s MET 121 CO 0.50 -1.22 0.32 0.21 -0.01 0.00 0.00 175.02 174.82 1aiz s LYS 122 N -0.52 0.59 0.33 2.03 2.36 -1.26 -1.83 119.74 121.44 1aiz s LYS 122 Ca 0.21 0.02 -0.07 0.00 -2.55 0.00 0.00 55.97 53.58 1aiz s LYS 122 Cb -0.14 0.27 0.03 0.00 -1.05 0.00 0.00 37.83 36.93 1aiz s LYS 122 CO -0.07 -0.14 0.56 0.41 1.55 0.00 0.00 175.35 177.65 1aiz n GLY 123 N 1.78 1.72 3.36 5.54 0.00 0.23 -4.84 105.19 112.97 1aiz n GLY 123 Ca -0.19 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.53 2.33 -0.07 2.61 2.01 0.96 -1.59 115.64 119.36 1aiz s THR 124 Ca 0.21 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1aiz s THR 124 Cb -0.02 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1aiz s THR 124 CO 0.15 0.56 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.19 1aiz s LEU 125 N -0.72 2.02 0.03 4.42 0.20 0.11 -0.66 118.68 124.08 1aiz s LEU 125 Ca 0.11 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.43 1aiz s LEU 125 Cb -0.10 -1.28 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1aiz s LEU 125 CO -0.00 0.20 -0.02 -1.59 -0.29 0.00 0.00 176.35 174.65 1aiz s LYS 126 N 0.03 0.47 -0.19 1.98 -2.85 -0.58 -1.71 119.74 116.89 1aiz s LYS 126 Ca -0.08 -0.88 -0.19 0.00 -1.00 0.00 0.00 55.97 53.82 1aiz s LYS 126 Cb -0.14 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.76 1aiz s LYS 126 CO 0.05 -0.09 0.53 -1.17 0.10 0.00 0.00 175.35 174.77 1aiz s LEU 127 N -2.15 4.16 0.16 2.77 2.96 -1.26 -0.45 118.68 124.87 1aiz s LEU 127 Ca -0.05 0.71 -0.14 0.00 -0.22 0.00 0.00 54.13 54.43 1aiz s LEU 127 Cb -0.01 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.96 1aiz s LEU 127 CO -0.05 -0.17 0.39 -0.55 -1.32 0.00 0.00 176.35 174.65 1aiz s SER 128 N 1.10 -0.12 0.00 3.68 0.15 -0.55 -4.33 113.70 113.63 1aiz s SER 128 Ca 0.25 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1aiz s SER 128 Cb -0.15 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1aiz s SER 128 CO 0.10 -0.93 0.31 -0.46 1.20 0.00 0.00 173.24 173.46