#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aza s GLN 2 N 0.00 1.60 -0.53 0.00 -0.44 -1.26 -5.02 119.66 114.02 2aza s GLN 2 Ca 0.00 -1.22 0.03 0.00 -2.50 0.00 0.00 55.36 51.67 2aza s GLN 2 Cb 0.00 -2.34 0.42 0.00 -1.64 0.00 0.00 33.01 29.45 2aza s GLN 2 CO 0.00 -1.50 1.52 0.00 0.50 0.00 0.00 175.29 175.81 2aza s GLU 4 N -3.73 0.63 -0.05 0.00 2.02 -1.26 -1.50 118.70 114.81 2aza s GLU 4 Ca 0.53 -0.66 -0.15 0.00 0.02 0.00 0.00 54.97 54.71 2aza s GLU 4 Cb 0.43 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.95 2aza s GLU 4 CO -0.13 -0.17 0.35 0.00 0.02 0.00 0.00 175.26 175.33 2aza s ALA 5 N -2.48 -0.89 -0.11 5.21 0.00 0.16 -4.95 121.76 118.71 2aza s ALA 5 Ca -0.06 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2aza s ALA 5 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2aza s ALA 5 CO -0.04 -0.25 -0.11 0.99 0.00 0.00 0.00 175.76 176.36 2aza s THR 6 N -0.92 3.28 -0.00 0.00 2.01 -1.26 -1.01 115.64 117.73 2aza s THR 6 Ca -0.10 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.35 2aza s THR 6 Cb -0.04 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 2aza s THR 6 CO 0.04 0.54 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.85 2aza s ILE 7 N -0.04 1.20 0.10 1.82 2.07 -0.28 -4.97 121.20 121.09 2aza s ILE 7 Ca -0.02 -0.70 0.06 0.00 -1.41 0.00 0.00 60.65 58.58 2aza s ILE 7 Cb -0.14 -1.01 -0.04 0.00 0.13 0.00 0.00 42.46 41.41 2aza s ILE 7 CO 0.04 0.30 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.71 2aza s GLU 8 N -0.46 2.37 0.08 3.50 2.02 -1.26 -1.45 118.70 123.50 2aza s GLU 8 Ca 0.05 -0.91 0.06 0.00 0.02 0.00 0.00 54.97 54.19 2aza s GLU 8 Cb -0.06 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 2aza s GLU 8 CO -0.00 0.53 -0.16 -1.54 0.02 0.00 0.00 175.26 174.10 2aza s SER 9 N -2.27 1.93 0.04 -0.19 1.04 -0.36 -1.00 113.70 112.91 2aza s SER 9 Ca 0.24 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2aza s SER 9 Cb -0.11 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 2aza s SER 9 CO 0.16 -0.03 0.03 -0.46 0.98 0.00 0.00 173.24 173.93 2aza n ASN 10 N 1.27 0.12 0.00 7.02 0.23 -0.93 -1.25 115.26 121.71 2aza n ASN 10 Ca -0.20 -1.28 0.12 0.00 -0.53 0.00 0.00 54.58 52.69 2aza n ASN 10 Cb 0.54 0.19 0.54 0.00 -2.08 0.00 0.00 39.78 38.98 2aza n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2aza n ASP 11 N -2.67 0.00 -0.86 0.53 8.00 -1.26 -2.92 116.55 117.36 2aza n ASP 11 Ca 0.01 0.41 0.12 0.00 0.71 0.00 0.00 54.79 56.03 2aza n ASP 11 Cb 0.08 -0.47 0.28 0.00 -0.02 0.00 0.00 41.12 40.99 2aza n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aza n ALA 12 N -1.47 2.48 -2.43 2.24 0.00 -1.26 -4.94 120.51 115.13 2aza n ALA 12 Ca 0.07 -0.73 -0.07 0.00 0.00 0.00 0.00 53.44 52.71 2aza n ALA 12 Cb 0.27 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.77 2aza n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2aza n MET 13 N 0.96 -1.32 -4.34 0.00 2.81 -1.15 -5.05 117.12 109.04 2aza n MET 13 Ca 0.17 0.28 -0.26 0.00 -1.81 0.00 0.00 57.70 56.08 2aza n MET 13 Cb 0.49 -3.88 -0.13 0.00 -0.71 0.00 0.00 33.22 29.00 2aza n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2aza s GLN 14 N -4.78 1.25 0.21 0.03 -0.21 -1.26 -4.22 119.66 110.67 2aza s GLN 14 Ca 0.08 -1.24 0.01 0.00 0.02 0.00 0.00 55.36 54.23 2aza s GLN 14 Cb -0.03 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.33 2aza s GLN 14 CO 0.09 0.38 0.37 0.71 -2.12 0.00 0.00 175.29 174.73 2aza s TYR 15 N -1.11 3.48 -1.33 0.91 2.02 -1.26 -2.19 117.35 117.87 2aza s TYR 15 Ca 0.10 0.22 0.26 0.00 -0.37 0.00 0.00 57.07 57.27 2aza s TYR 15 Cb -0.10 -1.76 0.61 0.00 -0.40 0.00 0.00 41.96 40.31 2aza s TYR 15 CO 0.05 0.40 1.48 -0.40 -1.57 0.00 0.00 175.55 175.50 2aza n ASP 16 N -0.88 0.73 -4.15 2.29 3.85 -0.17 -4.82 116.55 113.41 2aza n ASP 16 Ca -0.06 -0.54 -0.28 0.00 -0.71 0.00 0.00 54.79 53.20 2aza n ASP 16 Cb 0.55 0.21 -0.16 0.00 -1.35 0.00 0.00 41.12 40.36 2aza n ASP 16 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2aza s LEU 17 N -2.78 1.91 0.10 -2.12 1.43 -1.26 -4.97 118.68 110.99 2aza s LEU 17 Ca 0.17 -0.41 0.22 0.00 -1.03 0.00 0.00 54.13 53.08 2aza s LEU 17 Cb 0.18 -1.10 -0.14 0.00 0.03 0.00 0.00 46.19 45.17 2aza s LEU 17 CO 0.62 0.14 0.81 2.29 0.23 0.00 0.00 176.35 180.44 2aza n LYS 18 N 3.39 0.61 -3.81 1.70 -0.00 -1.26 -4.77 118.16 114.01 2aza n LYS 18 Ca -0.19 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 57.98 2aza n LYS 18 Cb 0.53 -1.69 -0.09 0.00 -0.00 0.00 0.00 35.03 33.77 2aza n LYS 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2aza s GLU 19 N -3.42 0.62 -0.03 -1.58 -1.05 -1.26 -0.55 118.70 111.43 2aza s GLU 19 Ca -0.03 -0.36 0.02 0.00 -0.15 0.00 0.00 54.97 54.44 2aza s GLU 19 Cb 0.12 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 34.09 2aza s GLU 19 CO 0.84 -0.17 -0.06 -1.64 0.95 0.00 0.00 175.26 175.18 2aza s MET 20 N -1.66 0.82 -0.10 -4.83 -1.94 -0.01 -4.92 119.30 106.66 2aza s MET 20 Ca -0.12 -0.17 0.02 0.00 -1.71 0.00 0.00 55.69 53.71 2aza s MET 20 Cb -0.05 -0.80 -0.01 0.00 2.01 0.00 0.00 34.83 35.98 2aza s MET 20 CO 0.01 -0.00 -0.17 0.08 -0.01 0.00 0.00 175.02 174.93 2aza s VAL 21 N 0.57 2.68 -0.24 -6.03 1.01 -1.26 -1.88 120.40 115.25 2aza s VAL 21 Ca -0.08 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 2aza s VAL 21 Cb -0.11 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2aza s VAL 21 CO 0.00 0.55 0.19 -0.69 0.00 0.00 0.00 175.10 175.15 2aza s VAL 22 N 0.17 5.34 0.14 2.92 1.01 -0.44 -4.93 120.40 124.61 2aza s VAL 22 Ca -0.10 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2aza s VAL 22 Cb -0.16 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 2aza s VAL 22 CO 0.06 0.34 1.18 -0.62 0.00 0.00 0.00 175.10 176.05 2aza s ASP 23 N 1.05 7.12 0.66 3.32 -1.08 -1.26 0.08 116.67 126.56 2aza s ASP 23 Ca 0.09 2.12 0.36 0.00 -0.52 0.00 0.00 52.55 54.60 2aza s ASP 23 Cb -0.14 -2.60 1.94 0.00 -1.46 0.00 0.00 42.92 40.67 2aza s ASP 23 CO 0.05 -0.37 2.10 0.11 0.52 0.00 0.00 175.17 177.58 2aza h LYS 24 N 5.76 0.00 0.00 4.34 1.57 -1.95 0.75 116.57 127.04 2aza h LYS 24 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2aza h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2aza h LYS 24 CO 0.76 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.51 2aza n SER 25 N -3.02 0.50 -4.79 0.86 3.41 -1.26 -4.81 113.62 104.51 2aza n SER 25 Ca -0.02 0.60 -0.39 0.00 -0.26 0.00 0.00 58.87 58.80 2aza n SER 25 Cb 0.26 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 2aza n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aza n LYS 27 N 1.95 0.66 -4.17 0.00 4.81 -1.26 -4.74 118.16 115.40 2aza n LYS 27 Ca -0.08 0.14 -0.11 0.00 -0.87 0.00 0.00 58.31 57.39 2aza n LYS 27 Cb 0.50 -1.66 -0.10 0.00 0.02 0.00 0.00 35.03 33.79 2aza n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2aza s GLN 28 N -2.59 0.85 -0.10 1.64 1.11 -1.26 -1.52 119.66 117.78 2aza s GLN 28 Ca -0.07 -1.35 -0.08 0.00 0.01 0.00 0.00 55.36 53.87 2aza s GLN 28 Cb 0.07 -0.18 0.03 0.00 -1.01 0.00 0.00 33.01 31.93 2aza s GLN 28 CO 0.83 -0.04 0.25 0.12 0.01 0.00 0.00 175.29 176.46 2aza s PHE 29 N -3.65 -0.30 -0.10 0.91 2.19 0.11 -4.82 117.98 112.31 2aza s PHE 29 Ca 0.13 0.72 0.01 0.00 0.33 0.00 0.00 56.93 58.12 2aza s PHE 29 Cb 0.06 0.09 -0.02 0.00 -1.31 0.00 0.00 43.02 41.83 2aza s PHE 29 CO -0.04 -0.17 -0.14 0.99 1.83 0.00 0.00 175.22 177.69 2aza s THR 30 N 0.48 2.97 -0.21 0.12 2.01 -0.56 -1.48 115.64 118.96 2aza s THR 30 Ca -0.03 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 2aza s THR 30 Cb -0.04 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 2aza s THR 30 CO -0.02 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 2aza s VAL 31 N 0.02 3.21 -0.34 3.82 1.01 -0.45 -0.66 120.40 127.00 2aza s VAL 31 Ca -0.05 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2aza s VAL 31 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2aza s VAL 31 CO 0.04 0.44 0.19 -1.00 0.00 0.00 0.00 175.10 174.77 2aza s HIS 32 N 1.44 3.21 -0.16 5.22 3.76 -0.18 -0.96 115.29 127.62 2aza s HIS 32 Ca 0.05 -0.65 -0.15 0.00 -0.15 0.00 0.00 55.06 54.17 2aza s HIS 32 Cb -0.14 -2.41 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 2aza s HIS 32 CO -0.04 -0.51 0.32 -1.17 -0.85 0.00 0.00 174.74 172.49 2aza s LEU 33 N 1.61 4.24 -0.01 0.89 2.96 0.29 -1.12 118.68 127.54 2aza s LEU 33 Ca 0.04 0.54 0.08 0.00 -0.22 0.00 0.00 54.13 54.57 2aza s LEU 33 Cb -0.18 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 2aza s LEU 33 CO 0.07 0.07 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.38 2aza s LYS 34 N 0.57 2.00 -0.35 1.98 1.02 -0.53 -1.73 119.74 122.70 2aza s LYS 34 Ca 0.18 -0.91 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 2aza s LYS 34 Cb -0.13 -1.95 0.05 0.00 -0.52 0.00 0.00 37.83 35.27 2aza s LYS 34 CO 0.05 0.53 0.13 -1.58 -0.92 0.00 0.00 175.35 173.56 2aza s HIS 35 N -0.61 3.28 -2.27 3.18 5.65 -0.60 -1.22 115.29 122.71 2aza s HIS 35 Ca 0.10 -1.51 0.20 0.00 0.25 0.00 0.00 55.06 54.10 2aza s HIS 35 Cb -0.10 -2.41 0.54 0.00 -1.18 0.00 0.00 32.58 29.44 2aza s HIS 35 CO -0.01 -0.76 1.45 1.33 -0.65 0.00 0.00 174.74 176.10 2aza n VAL 36 N 4.81 0.47 -1.66 0.89 0.24 -0.38 -1.11 118.33 121.57 2aza n VAL 36 Ca -0.12 -0.60 -0.13 0.00 -2.04 0.00 0.00 64.34 61.45 2aza n VAL 36 Cb 0.44 0.59 0.09 0.00 -1.47 0.00 0.00 33.84 33.48 2aza n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aza n GLY 37 N 1.33 -0.82 0.02 7.63 0.00 -1.25 -4.82 105.19 107.28 2aza n GLY 37 Ca 0.18 -1.76 0.01 0.00 0.00 0.00 0.00 46.02 44.45 2aza n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2aza n LYS 38 N -2.19 2.37 -3.26 1.61 2.85 -1.26 -3.02 118.16 115.25 2aza n LYS 38 Ca 0.08 -1.49 -0.35 0.00 -1.05 0.00 0.00 58.31 55.49 2aza n LYS 38 Cb 0.27 -0.99 -0.06 0.00 -0.65 0.00 0.00 35.03 33.60 2aza n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2aza s MET 39 N -1.08 4.04 0.60 -1.58 -1.94 -1.26 -4.80 119.30 113.28 2aza s MET 39 Ca 0.04 0.60 -0.14 0.00 -1.71 0.00 0.00 55.69 54.48 2aza s MET 39 Cb 0.03 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.01 2aza s MET 39 CO 0.00 0.40 1.03 0.00 -0.01 0.00 0.00 175.02 176.44 2aza s ALA 40 N -1.58 2.93 0.28 3.03 0.00 -1.26 0.32 121.76 125.48 2aza s ALA 40 Ca 0.42 0.12 0.31 0.00 0.00 0.00 0.00 51.96 52.81 2aza s ALA 40 Cb -0.14 -3.14 1.41 0.00 0.00 0.00 0.00 23.12 21.24 2aza s ALA 40 CO 0.20 -0.69 2.02 1.57 0.00 0.00 0.00 175.76 178.86 2aza h LYS 41 N 0.12 0.00 -0.05 0.00 2.10 -1.85 -1.76 116.57 115.13 2aza h LYS 41 Ca -0.45 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 2aza h LYS 41 Cb 1.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2aza h LYS 41 CO 0.60 0.10 -0.05 0.66 -2.00 0.00 0.00 179.45 178.75 2aza h SER 42 N 0.00 0.07 0.00 7.07 4.64 -1.96 -2.41 113.55 120.95 2aza h SER 42 Ca -0.00 -0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 2aza h SER 42 Cb 0.45 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.47 2aza h SER 42 CO 0.01 0.14 -2.21 0.00 -0.87 0.00 0.00 176.83 173.90 2aza n ALA 43 N -2.52 1.55 -2.75 5.18 0.00 -0.90 -4.82 120.51 116.25 2aza n ALA 43 Ca -0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 53.44 52.42 2aza n ALA 43 Cb 0.16 0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.69 2aza n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2aza n MET 44 N -3.31 1.11 -2.49 0.00 0.00 -0.71 -5.04 117.12 106.69 2aza n MET 44 Ca -0.39 -3.20 -0.33 0.00 -0.00 0.00 0.00 57.70 53.78 2aza n MET 44 Cb 0.88 -1.27 -0.04 0.00 0.00 0.00 0.00 33.22 32.79 2aza n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2aza s GLY 45 N -2.91 2.25 -0.01 -5.12 0.00 -0.91 -4.73 107.32 95.89 2aza s GLY 45 Ca 0.29 0.36 0.03 0.00 0.00 0.00 0.00 44.72 45.40 2aza s GLY 45 CO 0.01 0.65 -0.11 0.30 0.00 0.00 0.00 173.10 173.96 2aza s HIS 46 N -2.34 0.98 0.44 1.90 3.76 -0.59 -4.77 115.29 114.66 2aza s HIS 46 Ca 0.62 -0.20 0.03 0.00 -0.15 0.00 0.00 55.06 55.36 2aza s HIS 46 Cb -0.12 -0.65 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2aza s HIS 46 CO 0.25 -0.04 0.10 0.54 -0.85 0.00 0.00 174.74 174.74 2aza s ASN 47 N -0.15 3.19 -0.12 1.40 2.20 -1.26 -1.31 114.94 118.90 2aza s ASN 47 Ca 0.02 -1.68 -0.01 0.00 -0.94 0.00 0.00 52.86 50.25 2aza s ASN 47 Cb -0.05 0.53 0.03 0.00 -2.00 0.00 0.00 41.25 39.76 2aza s ASN 47 CO -0.00 -0.92 -0.02 0.86 -2.94 0.00 0.00 177.10 174.08 2aza s TRP 48 N -3.11 1.06 -0.05 1.54 -0.00 -1.26 -4.24 118.94 112.88 2aza s TRP 48 Ca 0.18 -0.54 0.03 0.00 -0.00 0.00 0.00 56.10 55.77 2aza s TRP 48 Cb 0.02 -1.01 0.00 0.00 -0.00 0.00 0.00 33.47 32.48 2aza s TRP 48 CO 0.11 -0.46 -0.13 0.08 -0.00 0.00 0.00 176.95 176.55 2aza s VAL 49 N 1.85 1.15 -0.16 5.86 1.01 -0.46 -1.52 120.40 128.12 2aza s VAL 49 Ca 0.03 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2aza s VAL 49 Cb -0.14 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.25 2aza s VAL 49 CO -0.07 0.35 -0.17 -0.22 0.00 0.00 0.00 175.10 174.99 2aza s LEU 50 N 0.29 1.88 0.32 3.92 2.96 -0.78 -0.60 118.68 126.68 2aza s LEU 50 Ca -0.07 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.33 2aza s LEU 50 Cb -0.12 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 2aza s LEU 50 CO 0.02 -0.02 0.29 0.42 -1.32 0.00 0.00 176.35 175.74 2aza s THR 51 N 1.34 0.00 0.48 3.68 -4.23 -0.97 -0.21 115.64 115.73 2aza s THR 51 Ca 0.04 -1.93 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 2aza s THR 51 Cb -0.13 -2.52 -0.08 0.00 1.34 0.00 0.00 72.50 71.10 2aza s THR 51 CO -0.11 0.00 0.94 -0.54 -0.54 0.00 0.00 174.62 174.38 2aza s LYS 52 N -3.47 3.98 0.31 3.99 1.02 -1.26 -1.60 119.74 122.71 2aza s LYS 52 Ca 0.39 0.91 0.07 0.00 0.02 0.00 0.00 55.97 57.36 2aza s LYS 52 Cb 0.02 -2.19 0.77 0.00 -0.52 0.00 0.00 37.83 35.92 2aza s LYS 52 CO 0.25 -0.18 1.78 1.49 -0.92 0.00 0.00 175.35 177.77 2aza h GLU 53 N 1.20 0.71 0.00 1.68 4.57 -1.89 0.07 114.58 120.92 2aza h GLU 53 Ca -0.47 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 2aza h GLU 53 Cb 1.18 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 2aza h GLU 53 CO 0.62 0.47 -0.22 0.00 -1.18 0.00 0.00 179.01 178.70 2aza h ALA 54 N 1.64 1.30 -0.07 2.92 0.00 -1.93 -2.99 119.26 120.14 2aza h ALA 54 Ca 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2aza h ALA 54 Cb 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2aza h ALA 54 CO -0.37 0.27 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 2aza n ASP 55 N -3.79 1.37 0.36 0.00 8.00 0.01 -4.55 116.55 117.95 2aza n ASP 55 Ca -0.02 -1.53 -0.19 0.00 0.71 0.00 0.00 54.79 53.76 2aza n ASP 55 Cb 0.32 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 2aza n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2aza h LYS 56 N 2.01 -1.06 -0.14 -1.24 3.64 -1.52 -2.45 116.57 115.81 2aza h LYS 56 Ca 0.00 0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2aza h LYS 56 Cb 0.43 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2aza h LYS 56 CO 0.00 -0.71 0.07 1.49 -2.27 0.00 0.00 179.45 178.03 2aza h GLU 57 N -1.10 0.15 -0.76 1.90 4.81 -1.83 -0.83 114.58 116.91 2aza h GLU 57 Ca -0.08 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2aza h GLU 57 Cb 0.92 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 2aza h GLU 57 CO 0.01 0.10 0.31 0.78 -0.73 0.00 0.00 179.01 179.48 2aza h GLY 58 N 0.15 1.21 1.10 1.92 0.00 -1.86 -1.75 103.07 103.85 2aza h GLY 58 Ca 0.05 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 2aza h GLY 58 CO -0.03 0.61 -0.18 -2.08 0.00 0.00 0.00 176.54 174.86 2aza h VAL 59 N 1.10 1.27 -0.52 4.60 2.07 -1.26 -1.59 116.25 121.93 2aza h VAL 59 Ca 0.26 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 2aza h VAL 59 Cb 0.20 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2aza h VAL 59 CO -0.02 0.47 -0.03 0.00 0.02 0.00 0.00 177.57 178.00 2aza h ALA 60 N 0.88 0.70 0.12 1.67 0.00 -0.89 0.16 119.26 121.90 2aza h ALA 60 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2aza h ALA 60 Cb 0.75 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2aza h ALA 60 CO 0.06 0.54 -0.06 1.15 0.00 0.00 0.00 179.25 180.94 2aza h THR 61 N 0.80 0.92 -0.15 0.00 2.02 -1.25 -0.76 112.91 114.48 2aza h THR 61 Ca 0.14 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 2aza h THR 61 Cb 0.57 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2aza h THR 61 CO 0.03 0.04 -0.33 0.44 0.37 0.00 0.00 175.52 176.07 2aza h ASP 62 N -0.23 0.31 -0.23 4.18 3.45 -1.24 -2.66 116.42 120.00 2aza h ASP 62 Ca -0.02 -0.11 -0.09 0.00 0.43 0.00 0.00 57.03 57.24 2aza h ASP 62 Cb 0.19 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 2aza h ASP 62 CO 0.03 0.63 -0.21 1.23 -1.57 0.00 0.00 179.24 179.35 2aza h GLY 63 N 1.09 0.60 -0.74 2.75 0.00 -0.51 -2.95 103.07 103.32 2aza h GLY 63 Ca 0.03 -0.60 0.14 0.00 0.00 0.00 0.00 47.33 46.91 2aza h GLY 63 CO 0.05 0.54 -0.32 1.98 0.00 0.00 0.00 176.54 178.79 2aza h MET 64 N 0.24 -0.05 0.00 4.80 1.85 -0.92 0.32 114.93 121.18 2aza h MET 64 Ca 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 2aza h MET 64 Cb 0.75 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.80 2aza h MET 64 CO 0.05 -0.03 0.00 0.09 -0.40 0.00 0.00 176.91 176.62 2aza n ASN 65 N -5.48 0.26 0.17 1.39 3.02 -1.02 -3.21 115.26 110.38 2aza n ASN 65 Ca 0.09 0.56 0.05 0.00 -0.03 0.00 0.00 54.58 55.25 2aza n ASN 65 Cb 0.40 -0.62 0.09 0.00 -0.61 0.00 0.00 39.78 39.04 2aza n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aza h ALA 66 N 2.45 0.78 0.00 5.41 0.00 -0.27 -3.50 119.26 124.12 2aza h ALA 66 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2aza h ALA 66 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2aza h ALA 66 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2aza n GLY 67 N 1.13 -0.59 0.37 0.00 0.00 -1.20 -4.41 105.19 100.49 2aza n GLY 67 Ca 0.02 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.34 2aza n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aza h LEU 68 N 0.00 1.05 -1.76 0.99 5.85 -1.92 -1.30 115.31 118.22 2aza h LEU 68 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2aza h LEU 68 Cb 0.00 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 2aza h LEU 68 CO 0.00 0.72 -0.16 0.00 -0.34 0.00 0.00 178.44 178.66 2aza h ALA 69 N 1.44 1.47 -0.03 1.25 0.00 -2.02 -0.95 119.26 120.42 2aza h ALA 69 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2aza h ALA 69 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2aza h ALA 69 CO -0.12 0.20 0.00 1.04 0.00 0.00 0.00 179.25 180.38 2aza n GLN 70 N -3.96 1.61 -2.62 0.00 1.13 -1.18 -4.93 117.38 107.43 2aza n GLN 70 Ca -0.02 -0.89 -0.16 0.00 -1.94 0.00 0.00 57.00 53.98 2aza n GLN 70 Cb 0.25 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.14 2aza n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2aza n ASP 71 N 0.09 -4.82 -3.95 1.08 8.00 -0.36 -2.79 116.55 113.80 2aza n ASP 71 Ca 0.19 -0.14 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 2aza n ASP 71 Cb 0.33 -3.78 -0.02 0.00 -0.02 0.00 0.00 41.12 37.63 2aza n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2aza n TYR 72 N -4.12 -1.75 -3.77 1.24 4.01 -0.50 -4.63 117.16 107.63 2aza n TYR 72 Ca -0.12 0.68 -0.20 0.00 -0.16 0.00 0.00 57.90 58.11 2aza n TYR 72 Cb 0.61 -2.84 -0.17 0.00 -0.31 0.00 0.00 39.34 36.63 2aza n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2aza s VAL 73 N -3.14 0.10 0.26 -0.72 1.01 -1.12 -3.94 120.40 112.85 2aza s VAL 73 Ca 0.64 0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.55 2aza s VAL 73 Cb -0.35 -0.28 -0.11 0.00 0.00 0.00 0.00 36.38 35.64 2aza s VAL 73 CO 0.78 0.19 1.62 -0.75 0.00 0.00 0.00 175.10 176.94 2aza s LYS 74 N 1.74 4.13 0.19 2.72 2.20 -1.26 -4.87 119.74 124.59 2aza s LYS 74 Ca 0.00 2.56 -0.33 0.00 -0.36 0.00 0.00 55.97 57.84 2aza s LYS 74 Cb -0.13 -3.05 -0.13 0.00 -1.51 0.00 0.00 37.83 33.01 2aza s LYS 74 CO -0.03 -0.65 1.63 0.00 -0.36 0.00 0.00 175.35 175.93 2aza n ALA 75 N 2.78 1.93 -3.95 3.13 0.00 -1.26 -2.76 120.51 120.38 2aza n ALA 75 Ca 0.11 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.68 2aza n ALA 75 Cb 0.37 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.41 2aza n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aza n GLY 76 N 3.53 -0.40 3.68 0.00 0.00 -1.26 -4.94 105.19 105.81 2aza n GLY 76 Ca 0.16 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 2aza n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aza s ASP 77 N -3.70 6.92 0.52 1.61 -1.08 -1.11 -4.87 116.67 114.95 2aza s ASP 77 Ca 0.44 1.90 0.30 0.00 -0.52 0.00 0.00 52.55 54.67 2aza s ASP 77 Cb -0.23 -2.55 1.22 0.00 -1.46 0.00 0.00 42.92 39.91 2aza s ASP 77 CO 0.86 -0.72 1.93 0.71 0.52 0.00 0.00 175.17 178.48 2aza h THR 78 N 5.20 0.18 0.00 1.71 1.35 -1.93 -2.55 112.91 116.87 2aza h THR 78 Ca -0.33 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 2aza h THR 78 Cb 1.15 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2aza h THR 78 CO 0.92 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 176.80 2aza n ARG 79 N -3.19 0.21 -3.14 4.72 1.74 -1.26 -4.69 116.66 111.04 2aza n ARG 79 Ca 0.00 0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 56.95 2aza n ARG 79 Cb 0.34 -1.80 -0.07 0.00 -1.02 0.00 0.00 32.46 29.91 2aza n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2aza s VAL 80 N -3.17 4.93 0.00 1.55 1.01 -0.96 -4.33 120.40 119.43 2aza s VAL 80 Ca 0.08 0.59 -0.22 0.00 0.00 0.00 0.00 61.98 62.43 2aza s VAL 80 Cb 0.11 -4.03 -0.19 0.00 0.00 0.00 0.00 36.38 32.28 2aza s VAL 80 CO 0.51 -0.25 1.21 0.40 0.00 0.00 0.00 175.10 176.97 2aza h ILE 81 N 5.63 1.42 -2.20 2.22 2.04 -0.87 -3.48 117.51 122.27 2aza h ILE 81 Ca -0.27 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 63.99 2aza h ILE 81 Cb 1.12 2.26 -0.18 0.00 -0.74 0.00 0.00 36.82 39.28 2aza h ILE 81 CO 0.81 0.45 0.27 0.00 0.00 0.00 0.00 178.15 179.68 2aza s ALA 82 N -3.80 -1.76 -0.02 1.87 0.00 -1.21 -5.00 121.76 111.84 2aza s ALA 82 Ca -0.15 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.70 2aza s ALA 82 Cb 0.03 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.36 2aza s ALA 82 CO 0.75 -0.48 0.53 -3.38 0.00 0.00 0.00 175.76 173.18 2aza s HIS 83 N -1.96 -0.46 0.67 0.00 -3.43 -1.26 -1.86 115.29 106.99 2aza s HIS 83 Ca -0.05 0.74 0.04 0.00 -0.80 0.00 0.00 55.06 54.99 2aza s HIS 83 Cb -0.00 0.29 0.12 0.00 -1.43 0.00 0.00 32.58 31.56 2aza s HIS 83 CO 0.02 -0.54 0.92 0.95 -2.00 0.00 0.00 174.74 174.09 2aza s THR 84 N -1.42 2.08 0.67 -5.38 -4.23 -0.58 -4.86 115.64 101.92 2aza s THR 84 Ca -0.11 -0.78 -0.07 0.00 -1.18 0.00 0.00 61.69 59.55 2aza s THR 84 Cb -0.02 -2.29 0.04 0.00 1.34 0.00 0.00 72.50 71.57 2aza s THR 84 CO 0.06 0.00 1.00 -0.54 -0.54 0.00 0.00 174.62 174.60 2aza s LYS 85 N -4.95 2.48 -0.13 3.99 1.02 -1.26 -4.62 119.74 116.26 2aza s LYS 85 Ca 0.65 -0.08 -0.28 0.00 0.02 0.00 0.00 55.97 56.28 2aza s LYS 85 Cb -0.05 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 2aza s LYS 85 CO 0.42 -1.07 0.92 0.08 -0.92 0.00 0.00 175.35 174.79 2aza s VAL 86 N -3.20 4.83 0.26 3.17 1.01 -1.26 -4.45 120.40 120.77 2aza s VAL 86 Ca 0.58 1.85 0.11 0.00 0.00 0.00 0.00 61.98 64.53 2aza s VAL 86 Cb -0.11 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2aza s VAL 86 CO 0.46 0.03 -0.16 0.27 0.00 0.00 0.00 175.10 175.70 2aza s ILE 87 N 2.01 2.71 0.34 2.22 -4.36 -0.42 -4.89 121.20 118.80 2aza s ILE 87 Ca 0.44 -2.21 0.03 0.00 -0.26 0.00 0.00 60.65 58.65 2aza s ILE 87 Cb -0.18 -2.41 0.03 0.00 1.25 0.00 0.00 42.46 41.16 2aza s ILE 87 CO 0.16 -0.34 0.25 0.61 0.24 0.00 0.00 174.94 175.85 2aza n GLY 88 N -0.52 2.89 3.77 6.27 0.00 -1.26 -1.55 105.19 114.78 2aza n GLY 88 Ca -0.07 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 2aza n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aza s GLY 89 N -3.20 2.51 0.00 -0.02 0.00 0.15 -2.36 107.32 104.40 2aza s GLY 89 Ca 0.19 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.50 2aza s GLY 89 CO 0.12 2.43 0.00 0.61 0.00 0.00 0.00 173.10 176.26 2aza n GLY 90 N 1.31 0.80 3.77 0.20 0.00 -0.27 -4.88 105.19 106.12 2aza n GLY 90 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2aza n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aza s GLU 91 N -0.33 2.26 0.12 1.61 2.02 -1.00 -4.98 118.70 118.40 2aza s GLU 91 Ca 0.00 -1.87 -0.13 0.00 0.02 0.00 0.00 54.97 52.99 2aza s GLU 91 Cb 0.00 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.24 2aza s GLU 91 CO 0.00 -0.20 0.32 -1.54 0.02 0.00 0.00 175.26 173.86 2aza s SER 92 N -3.97 -0.09 -0.04 -0.19 1.04 -1.26 -1.55 113.70 107.65 2aza s SER 92 Ca 0.39 -0.48 -0.13 0.00 0.48 0.00 0.00 55.95 56.21 2aza s SER 92 Cb 0.02 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.59 2aza s SER 92 CO 0.22 -0.82 0.29 -0.62 0.98 0.00 0.00 173.24 173.28 2aza s ASP 93 N -2.84 -0.19 0.10 7.02 2.15 -0.70 -5.02 116.67 117.19 2aza s ASP 93 Ca 0.05 0.18 0.07 0.00 0.43 0.00 0.00 52.55 53.27 2aza s ASP 93 Cb 0.03 0.38 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 2aza s ASP 93 CO -0.10 -0.36 -0.17 -0.44 -0.17 0.00 0.00 175.17 173.93 2aza s SER 94 N -0.98 2.16 -0.01 -0.34 0.01 -1.26 -0.55 113.70 112.74 2aza s SER 94 Ca -0.10 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2aza s SER 94 Cb -0.05 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.10 2aza s SER 94 CO 0.03 -0.04 0.01 0.54 0.41 0.00 0.00 173.24 174.19 2aza s VAL 95 N -1.53 0.04 -0.07 3.43 0.11 -0.13 -4.92 120.40 117.32 2aza s VAL 95 Ca 0.06 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.23 2aza s VAL 95 Cb -0.08 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 2aza s VAL 95 CO 0.04 0.07 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.83 2aza s THR 96 N 0.62 2.85 0.17 5.04 2.01 -1.26 -1.35 115.64 123.73 2aza s THR 96 Ca -0.05 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.18 2aza s THR 96 Cb -0.08 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 2aza s THR 96 CO -0.02 0.57 0.02 0.72 -0.69 0.00 0.00 174.62 175.22 2aza s PHE 97 N -0.31 1.16 -0.04 4.92 -0.71 -0.55 -4.95 117.98 117.50 2aza s PHE 97 Ca 0.02 -1.07 -0.30 0.00 -1.04 0.00 0.00 56.93 54.54 2aza s PHE 97 Cb -0.13 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 40.99 2aza s PHE 97 CO 0.03 -0.28 1.19 -0.51 -1.34 0.00 0.00 175.22 174.31 2aza s ASP 98 N -3.16 7.06 0.47 1.98 -0.00 -1.26 -0.72 116.67 121.05 2aza s ASP 98 Ca 0.25 1.84 0.25 0.00 -0.00 0.00 0.00 52.55 54.89 2aza s ASP 98 Cb 0.06 -2.56 1.11 0.00 -0.00 0.00 0.00 42.92 41.53 2aza s ASP 98 CO 0.04 -0.56 1.91 0.58 -0.00 0.00 0.00 175.17 177.14 2aza h VAL 99 N 4.93 0.57 -0.01 -1.27 2.07 -1.57 -2.78 116.25 118.19 2aza h VAL 99 Ca -0.35 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2aza h VAL 99 Cb 1.17 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2aza h VAL 99 CO 0.87 0.19 0.03 0.77 0.02 0.00 0.00 177.57 179.44 2aza h SER 100 N 0.00 0.00 1.14 0.57 4.64 -1.90 0.13 113.55 118.13 2aza h SER 100 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2aza h SER 100 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2aza h SER 100 CO 0.03 0.00 -0.03 0.11 -0.87 0.00 0.00 176.83 176.07 2aza h LYS 101 N 0.00 0.00 -5.94 4.77 1.57 -1.89 -3.42 116.57 111.66 2aza h LYS 101 Ca 0.01 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.17 2aza h LYS 101 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 2aza h LYS 101 CO -0.00 0.03 -0.34 -0.51 -0.57 0.00 0.00 179.45 178.05 2aza s LEU 102 N -6.25 4.38 -0.21 2.94 1.43 0.47 -5.07 118.68 116.37 2aza s LEU 102 Ca 0.02 0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 2aza s LEU 102 Cb 0.09 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2aza s LEU 102 CO 0.57 0.26 -0.02 -0.89 0.23 0.00 0.00 176.35 176.49 2aza s THR 103 N -1.27 3.63 0.19 5.49 2.01 -1.26 -5.01 115.64 119.42 2aza s THR 103 Ca 0.27 -0.41 -0.33 0.00 0.31 0.00 0.00 61.69 61.53 2aza s THR 103 Cb -0.14 -2.65 -0.14 0.00 0.01 0.00 0.00 72.50 69.59 2aza s THR 103 CO 0.15 0.42 1.43 -2.65 -0.69 0.00 0.00 174.62 173.28 2aza n PRO 104 N 4.55 1.89 0.00 4.92 -0.02 -1.26 -2.17 135.00 142.92 2aza n PRO 104 Ca -0.18 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2aza n PRO 104 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2aza n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aza n GLY 105 N 2.58 2.84 3.78 -1.23 0.00 -1.26 -5.04 105.19 106.85 2aza n GLY 105 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2aza n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aza s GLU 106 N -0.09 4.41 -0.23 1.61 2.12 -0.92 -4.99 118.70 120.60 2aza s GLU 106 Ca 0.00 1.47 -0.11 0.00 0.36 0.00 0.00 54.97 56.69 2aza s GLU 106 Cb 0.00 -2.74 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 2aza s GLU 106 CO 0.00 0.09 0.16 0.00 -0.54 0.00 0.00 175.26 174.97 2aza s ALA 107 N -1.58 3.62 0.17 6.30 0.00 -1.26 -4.45 121.76 124.56 2aza s ALA 107 Ca 0.53 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.70 2aza s ALA 107 Cb -0.22 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 2aza s ALA 107 CO 0.28 -0.13 0.09 0.71 0.00 0.00 0.00 175.76 176.70 2aza s TYR 108 N 0.94 3.05 -0.07 0.00 2.02 -0.23 -4.14 117.35 118.92 2aza s TYR 108 Ca 0.08 -0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 56.70 2aza s TYR 108 Cb -0.13 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 2aza s TYR 108 CO 0.03 0.52 0.06 0.00 -1.57 0.00 0.00 175.55 174.60 2aza s ALA 109 N -1.75 3.53 0.00 3.71 0.00 -0.63 -0.74 121.76 125.88 2aza s ALA 109 Ca 0.30 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.56 2aza s ALA 109 Cb -0.10 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 2aza s ALA 109 CO 0.22 0.63 -0.25 1.52 0.00 0.00 0.00 175.76 177.88 2aza s TYR 110 N -1.01 2.21 0.25 0.00 1.13 -0.70 -2.29 117.35 116.95 2aza s TYR 110 Ca 0.17 -0.41 -0.16 0.00 -1.41 0.00 0.00 57.07 55.25 2aza s TYR 110 Cb -0.12 -1.39 0.01 0.00 -1.10 0.00 0.00 41.96 39.36 2aza s TYR 110 CO 0.06 0.01 0.57 -0.59 -2.51 0.00 0.00 175.55 173.10 2aza s PHE 111 N -0.65 0.11 -0.22 -3.49 -0.71 0.23 -0.52 117.98 112.73 2aza s PHE 111 Ca 0.10 -0.51 -0.15 0.00 -1.04 0.00 0.00 56.93 55.33 2aza s PHE 111 Cb -0.10 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2aza s PHE 111 CO -0.00 -1.08 0.37 0.00 -1.34 0.00 0.00 175.22 173.17 2aza n SER 113 N 4.65 2.32 -4.74 0.00 3.41 -1.26 -2.59 113.62 115.41 2aza n SER 113 Ca -0.09 -1.86 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 2aza n SER 113 Cb 0.51 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 2aza n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2aza n PHE 114 N 0.76 2.74 -1.64 7.33 -0.00 -1.26 -4.35 117.46 121.04 2aza n PHE 114 Ca 0.17 0.40 -0.60 0.00 -0.00 0.00 0.00 57.45 57.42 2aza n PHE 114 Cb 0.42 -2.53 -0.08 0.00 -0.00 0.00 0.00 39.48 37.29 2aza n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2aza n PRO 115 N 1.16 0.45 -1.21 -7.13 -0.02 -1.26 -0.47 135.00 126.52 2aza n PRO 115 Ca 0.05 0.16 -0.07 0.00 -2.02 0.00 0.00 63.50 61.62 2aza n PRO 115 Cb 0.37 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2aza n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aza n GLY 116 N 3.07 0.81 0.08 -1.23 0.00 -1.26 -4.90 105.19 101.77 2aza n GLY 116 Ca 0.25 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2aza n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2aza h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -0.99 -3.39 115.15 116.24 2aza h HIS 117 Ca -0.15 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.03 2aza h HIS 117 Cb 0.85 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 2aza h HIS 117 CO 0.44 0.00 -0.16 0.11 0.86 0.00 0.00 177.93 179.18 2aza h TRP 118 N 0.00 0.00 0.00 2.45 5.08 -1.69 -1.41 115.95 120.38 2aza h TRP 118 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 2aza h TRP 118 Cb 0.86 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.02 2aza h TRP 118 CO 0.00 0.16 -0.15 0.00 -1.28 0.00 0.00 178.44 177.17 2aza h ALA 119 N 1.84 1.59 0.00 0.11 0.00 -1.89 -3.29 119.26 117.61 2aza h ALA 119 Ca -0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2aza h ALA 119 Cb 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2aza h ALA 119 CO 0.02 0.19 -1.70 -1.33 0.00 0.00 0.00 179.25 176.44 2aza n MET 120 N -4.12 2.16 -3.85 0.00 2.81 -1.08 -4.91 117.12 108.12 2aza n MET 120 Ca -0.02 -0.01 -0.34 0.00 -1.81 0.00 0.00 57.70 55.51 2aza n MET 120 Cb 0.23 -1.27 -0.12 0.00 -0.71 0.00 0.00 33.22 31.35 2aza n MET 120 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2aza s MET 121 N -2.29 2.01 -0.12 0.03 -1.94 -0.55 -4.81 119.30 111.63 2aza s MET 121 Ca -0.05 -2.14 -0.21 0.00 -1.71 0.00 0.00 55.69 51.58 2aza s MET 121 Cb 0.03 -3.49 0.05 0.00 2.01 0.00 0.00 34.83 33.43 2aza s MET 121 CO 0.43 -1.07 0.53 0.21 -0.01 0.00 0.00 175.02 175.10 2aza s LYS 122 N 0.56 0.76 0.30 2.03 2.36 -1.26 -1.82 119.74 122.66 2aza s LYS 122 Ca 0.12 0.40 -0.05 0.00 -2.55 0.00 0.00 55.97 53.90 2aza s LYS 122 Cb -0.22 0.36 0.02 0.00 -1.05 0.00 0.00 37.83 36.94 2aza s LYS 122 CO -0.04 -0.17 0.48 0.41 1.55 0.00 0.00 175.35 177.58 2aza n GLY 123 N 1.94 1.93 3.37 5.54 0.00 0.32 -4.89 105.19 113.39 2aza n GLY 123 Ca -0.17 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 2aza n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aza s THR 124 N -2.60 2.38 -0.03 2.61 2.01 0.29 -1.72 115.64 118.58 2aza s THR 124 Ca 0.20 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 61.24 2aza s THR 124 Cb -0.02 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2aza s THR 124 CO 0.15 0.56 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.21 2aza s LEU 125 N -0.73 2.37 0.19 4.42 0.20 0.08 -0.83 118.68 124.39 2aza s LEU 125 Ca 0.11 -0.34 -0.13 0.00 0.69 0.00 0.00 54.13 54.46 2aza s LEU 125 Cb -0.10 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 2aza s LEU 125 CO -0.00 0.33 0.41 -1.59 -0.29 0.00 0.00 176.35 175.21 2aza s LYS 126 N -0.67 1.32 0.37 1.98 0.00 -0.79 -1.07 119.74 120.89 2aza s LYS 126 Ca 0.11 -1.09 -0.25 0.00 0.00 0.00 0.00 55.97 54.74 2aza s LYS 126 Cb -0.10 0.45 -0.09 0.00 0.00 0.00 0.00 37.83 38.08 2aza s LYS 126 CO -0.00 -0.53 1.04 -0.51 0.00 0.00 0.00 175.35 175.35 2aza s LEU 127 N -2.95 4.21 0.51 2.77 1.02 -1.26 -1.33 118.68 121.65 2aza s LEU 127 Ca 0.16 2.04 -0.18 0.00 0.02 0.00 0.00 54.13 56.16 2aza s LEU 127 Cb 0.01 -4.10 -0.14 0.00 0.02 0.00 0.00 46.19 41.98 2aza s LEU 127 CO 0.01 -0.39 -0.01 -0.24 0.02 0.00 0.00 176.35 175.74 2aza n SER 128 N 0.16 -3.19 0.00 2.29 2.88 0.11 -4.79 113.62 111.08 2aza n SER 128 Ca 0.04 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 2aza n SER 128 Cb 0.49 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2aza n SER 128 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61