#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1paz s ASN 2 N 0.00 3.63 -0.13 -1.84 2.47 -1.26 -0.99 114.94 116.82 1paz s ASN 2 Ca 0.00 -0.39 0.02 0.00 0.42 0.00 0.00 52.86 52.91 1paz s ASN 2 Cb 0.00 -0.58 0.01 0.00 -1.45 0.00 0.00 41.25 39.23 1paz s ASN 2 CO 0.00 0.30 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.86 1paz s ILE 3 N -0.79 1.78 -0.14 -5.21 1.09 -0.58 -4.98 121.20 112.37 1paz s ILE 3 Ca 0.12 -0.80 -0.11 0.00 -1.10 0.00 0.00 60.65 58.76 1paz s ILE 3 Cb -0.10 -1.60 -0.05 0.00 -1.06 0.00 0.00 42.46 39.65 1paz s ILE 3 CO 0.02 0.49 0.22 -0.70 -0.10 0.00 0.00 174.94 174.88 1paz s GLU 4 N 1.01 3.98 -0.06 2.79 2.12 -1.26 -0.40 118.70 126.88 1paz s GLU 4 Ca -0.04 -0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.31 1paz s GLU 4 Cb -0.15 -3.34 -0.00 0.00 0.26 0.00 0.00 34.13 30.90 1paz s GLU 4 CO -0.04 0.45 -0.19 0.08 -0.54 0.00 0.00 175.26 175.02 1paz s VAL 5 N -0.14 1.62 -0.08 3.70 1.01 0.49 -4.56 120.40 122.45 1paz s VAL 5 Ca 0.15 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1paz s VAL 5 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1paz s VAL 5 CO 0.03 0.46 0.10 -1.00 0.00 0.00 0.00 175.10 174.69 1paz s HIS 6 N 0.18 3.41 -0.28 5.22 3.76 0.15 -0.37 115.29 127.37 1paz s HIS 6 Ca -0.09 0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 55.10 1paz s HIS 6 Cb -0.14 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 1paz s HIS 6 CO 0.04 0.62 0.09 -1.64 -0.85 0.00 0.00 174.74 173.00 1paz s MET 7 N -1.22 3.37 0.10 1.40 -1.94 -0.13 -1.13 119.30 119.75 1paz s MET 7 Ca 0.17 -0.68 0.07 0.00 -1.71 0.00 0.00 55.69 53.54 1paz s MET 7 Cb -0.12 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.29 1paz s MET 7 CO 0.07 -0.34 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.07 1paz s LEU 8 N 1.57 2.34 0.23 -0.03 1.43 -0.34 -2.47 118.68 121.42 1paz s LEU 8 Ca 0.05 -0.72 0.10 0.00 -1.03 0.00 0.00 54.13 52.53 1paz s LEU 8 Cb -0.16 -0.66 0.19 0.00 0.03 0.00 0.00 46.19 45.58 1paz s LEU 8 CO 0.04 -0.05 1.51 0.78 0.23 0.00 0.00 176.35 178.85 1paz h ASN 9 N 3.89 0.00 -4.23 2.29 2.35 -1.92 -0.11 115.58 117.85 1paz h ASN 9 Ca -0.42 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.18 1paz h ASN 9 Cb 1.19 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.33 1paz h ASN 9 CO 0.44 0.71 -0.38 -0.54 -1.65 0.00 0.00 177.43 176.01 1paz s LYS 10 N -3.28 0.42 0.00 0.81 3.01 -1.26 0.79 119.74 120.23 1paz s LYS 10 Ca -0.00 0.15 0.00 0.00 -1.01 0.00 0.00 55.97 55.11 1paz s LYS 10 Cb 0.11 0.19 0.00 0.00 -1.01 0.00 0.00 37.83 37.13 1paz s LYS 10 CO 0.77 -0.08 0.00 0.41 0.51 0.00 0.00 175.35 176.96 1paz n GLY 11 N 2.38 3.42 0.34 -3.33 0.00 0.22 -4.91 105.19 103.31 1paz n GLY 11 Ca -0.16 -1.08 -0.00 0.00 0.00 0.00 0.00 46.02 44.78 1paz n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1paz h ALA 12 N 1.64 1.21 -0.00 4.61 0.00 -2.01 -2.47 119.26 122.25 1paz h ALA 12 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1paz h ALA 12 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1paz h ALA 12 CO 0.00 0.42 -0.06 0.39 0.00 0.00 0.00 179.25 180.00 1paz n GLU 13 N -4.53 0.70 0.00 0.00 -0.58 -1.26 -5.04 120.64 109.93 1paz n GLU 13 Ca 0.12 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1paz n GLU 13 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1paz n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1paz n GLY 14 N 1.24 0.38 3.86 0.62 0.00 -0.93 -5.07 105.19 105.29 1paz n GLY 14 Ca 0.16 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1paz n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1paz s ALA 15 N -1.60 3.38 -0.48 4.61 0.00 -1.26 0.70 121.76 127.11 1paz s ALA 15 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 1paz s ALA 15 Cb 0.00 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.47 1paz s ALA 15 CO 0.00 0.27 0.63 -1.33 0.00 0.00 0.00 175.76 175.33 1paz n MET 16 N -0.59 -2.14 -4.22 0.00 2.81 0.24 -4.84 117.12 108.37 1paz n MET 16 Ca 0.02 1.85 -0.13 0.00 -1.81 0.00 0.00 57.70 57.63 1paz n MET 16 Cb 0.53 -4.74 -0.10 0.00 -0.71 0.00 0.00 33.22 28.20 1paz n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1paz s VAL 17 N -2.41 0.95 -0.16 2.03 -7.23 -0.06 -3.66 120.40 109.87 1paz s VAL 17 Ca 0.24 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1paz s VAL 17 Cb -0.05 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1paz s VAL 17 CO 0.80 -0.75 0.07 -0.36 -0.31 0.00 0.00 175.10 174.54 1paz s PHE 18 N -3.47 3.30 -0.16 2.82 0.40 -1.26 -1.19 117.98 118.42 1paz s PHE 18 Ca 0.16 0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1paz s PHE 18 Cb 0.04 -2.01 0.04 0.00 0.51 0.00 0.00 43.02 41.60 1paz s PHE 18 CO -0.01 0.31 -0.04 -1.21 0.70 0.00 0.00 175.22 174.96 1paz s GLU 19 N -0.06 1.34 0.73 0.44 2.02 -0.29 -2.90 118.70 119.98 1paz s GLU 19 Ca 0.07 -0.46 -0.11 0.00 0.02 0.00 0.00 54.97 54.48 1paz s GLU 19 Cb -0.12 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.20 1paz s GLU 19 CO 0.01 -0.43 1.07 -1.25 0.02 0.00 0.00 175.26 174.68 1paz s PRO 20 N 1.67 2.64 0.00 0.39 0.04 -1.26 -0.68 135.00 137.80 1paz s PRO 20 Ca 0.01 0.86 0.22 0.00 0.04 0.00 0.00 61.00 62.13 1paz s PRO 20 Cb -0.15 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1paz s PRO 20 CO -0.08 -1.28 1.07 0.00 0.04 0.00 0.00 177.00 176.75 1paz n ALA 21 N -3.24 3.38 -3.97 8.56 0.00 -1.14 -4.80 120.51 119.29 1paz n ALA 21 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 1paz n ALA 21 Cb 0.54 -0.76 -0.16 0.00 0.00 0.00 0.00 19.45 19.08 1paz n ALA 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1paz s TYR 22 N -2.33 2.25 -0.15 0.00 5.04 -1.26 -0.06 117.35 120.84 1paz s TYR 22 Ca 0.19 -1.47 0.02 0.00 -2.44 0.00 0.00 57.07 53.37 1paz s TYR 22 Cb 0.18 -1.57 0.02 0.00 0.35 0.00 0.00 41.96 40.93 1paz s TYR 22 CO 0.52 -0.71 -0.19 0.42 -1.34 0.00 0.00 175.55 174.24 1paz s ILE 23 N 1.45 1.92 -0.25 3.14 1.09 0.43 -4.98 121.20 124.00 1paz s ILE 23 Ca -0.01 -0.87 -0.10 0.00 -1.10 0.00 0.00 60.65 58.57 1paz s ILE 23 Cb -0.16 -1.73 -0.05 0.00 -1.06 0.00 0.00 42.46 39.46 1paz s ILE 23 CO -0.08 0.52 0.16 -0.75 -0.10 0.00 0.00 174.94 174.69 1paz s LYS 24 N 1.12 4.01 0.24 2.79 2.47 -1.26 0.50 119.74 129.60 1paz s LYS 24 Ca -0.01 -0.30 -0.01 0.00 -1.56 0.00 0.00 55.97 54.10 1paz s LYS 24 Cb -0.14 -3.56 -0.03 0.00 -1.46 0.00 0.00 37.83 32.63 1paz s LYS 24 CO -0.07 -0.03 0.22 0.00 0.16 0.00 0.00 175.35 175.62 1paz s ALA 25 N 1.31 1.12 0.18 3.13 0.00 -0.08 -4.95 121.76 122.47 1paz s ALA 25 Ca 0.07 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.45 1paz s ALA 25 Cb -0.14 1.36 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 1paz s ALA 25 CO 0.07 -0.64 -0.17 -0.80 0.00 0.00 0.00 175.76 174.21 1paz s ASN 26 N -3.19 2.69 0.14 0.00 -0.87 -1.26 -1.69 114.94 110.76 1paz s ASN 26 Ca 0.37 -0.91 -0.35 0.00 -1.57 0.00 0.00 52.86 50.41 1paz s ASN 26 Cb 0.05 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.25 40.97 1paz s ASN 26 CO 0.15 -0.07 1.41 -2.65 -2.57 0.00 0.00 177.10 173.38 1paz n PRO 27 N 0.08 1.62 0.00 -0.60 -0.02 -1.26 -0.86 135.00 133.96 1paz n PRO 27 Ca -0.11 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1paz n PRO 27 Cb 0.58 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1paz n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1paz n GLY 28 N 2.73 1.89 3.79 -1.23 0.00 0.31 -4.98 105.19 107.70 1paz n GLY 28 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1paz n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1paz s ASP 29 N -1.49 4.57 0.12 1.61 -0.00 -0.04 -4.64 116.67 116.80 1paz s ASP 29 Ca 0.00 1.49 0.10 0.00 -0.00 0.00 0.00 52.55 54.15 1paz s ASP 29 Cb 0.00 -2.25 -0.04 0.00 -0.00 0.00 0.00 42.92 40.63 1paz s ASP 29 CO 0.00 -1.94 -0.24 0.42 -0.00 0.00 0.00 175.17 173.41 1paz s THR 30 N -3.05 2.47 -0.16 -1.27 -4.23 -0.16 -1.67 115.64 107.57 1paz s THR 30 Ca 0.60 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1paz s THR 30 Cb -0.15 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.61 1paz s THR 30 CO 0.55 0.12 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.88 1paz s VAL 31 N -1.06 1.90 -0.26 2.29 1.01 0.64 -1.52 120.40 123.40 1paz s VAL 31 Ca 0.15 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1paz s VAL 31 Cb -0.10 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1paz s VAL 31 CO 0.07 0.51 0.11 -0.89 0.00 0.00 0.00 175.10 174.91 1paz s THR 32 N 1.27 4.70 -0.31 3.92 2.01 0.47 -0.53 115.64 127.17 1paz s THR 32 Ca 0.03 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 1paz s THR 32 Cb -0.13 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1paz s THR 32 CO -0.10 0.31 0.21 -0.36 -0.69 0.00 0.00 174.62 173.99 1paz s PHE 33 N 1.62 3.22 -0.24 4.92 0.40 0.11 -0.38 117.98 127.64 1paz s PHE 33 Ca 0.06 -0.02 -0.04 0.00 -0.60 0.00 0.00 56.93 56.33 1paz s PHE 33 Cb -0.15 -2.42 0.00 0.00 0.51 0.00 0.00 43.02 40.96 1paz s PHE 33 CO 0.06 -0.24 -0.02 0.42 0.70 0.00 0.00 175.22 176.13 1paz s ILE 34 N 1.74 3.40 -1.11 0.64 1.01 0.50 -1.26 121.20 126.13 1paz s ILE 34 Ca 0.07 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 1paz s ILE 34 Cb -0.17 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.73 1paz s ILE 34 CO 0.11 0.32 1.59 -2.16 0.00 0.00 0.00 174.94 174.80 1paz s PRO 35 N 1.46 3.64 0.15 2.79 0.04 -1.26 -0.96 135.00 140.86 1paz s PRO 35 Ca 0.04 -1.38 -0.13 0.00 0.04 0.00 0.00 61.00 59.58 1paz s PRO 35 Cb -0.15 -5.40 0.03 0.00 0.04 0.00 0.00 34.50 29.01 1paz s PRO 35 CO -0.02 -2.34 1.63 0.28 0.04 0.00 0.00 177.00 176.59 1paz h VAL 36 N 6.39 1.25 -3.21 -0.36 2.07 -1.86 -3.42 116.25 117.11 1paz h VAL 36 Ca 0.28 -0.98 -0.64 0.00 0.82 0.00 0.00 66.70 66.19 1paz h VAL 36 Cb 0.96 0.90 -0.11 0.00 -1.52 0.00 0.00 31.29 31.52 1paz h VAL 36 CO 1.42 0.35 -0.65 -1.81 0.02 0.00 0.00 177.57 176.90 1paz s ASP 37 N -6.27 5.01 0.61 0.57 -0.00 -1.11 -5.06 116.67 110.42 1paz s ASP 37 Ca -0.13 -0.22 -0.10 0.00 -0.00 0.00 0.00 52.55 52.11 1paz s ASP 37 Cb 0.12 -1.18 -0.03 0.00 -0.00 0.00 0.00 42.92 41.83 1paz s ASP 37 CO 0.81 0.15 1.00 -0.54 -0.00 0.00 0.00 175.17 176.59 1paz s LYS 38 N -2.50 3.48 0.00 8.23 1.02 -1.26 -4.41 119.74 124.31 1paz s LYS 38 Ca 0.26 0.62 0.00 0.00 0.02 0.00 0.00 55.97 56.87 1paz s LYS 38 Cb -0.11 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1paz s LYS 38 CO 0.19 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1paz n GLY 39 N -2.71 0.87 3.42 -3.33 0.00 -1.26 -4.96 105.19 97.23 1paz n GLY 39 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1paz n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1paz s HIS 40 N -2.00 2.17 0.12 1.61 3.76 -1.26 -4.82 115.29 114.87 1paz s HIS 40 Ca 0.00 -0.38 -0.02 0.00 -0.15 0.00 0.00 55.06 54.51 1paz s HIS 40 Cb 0.00 -1.01 0.01 0.00 1.11 0.00 0.00 32.58 32.69 1paz s HIS 40 CO 0.00 0.56 0.18 0.27 -0.85 0.00 0.00 174.74 174.91 1paz n ASN 41 N -0.20 -0.52 -3.87 1.40 6.94 -1.26 -0.76 115.26 116.99 1paz n ASN 41 Ca -0.09 -1.61 -0.15 0.00 -0.02 0.00 0.00 54.58 52.71 1paz n ASN 41 Cb 0.58 0.94 -0.15 0.00 -2.36 0.00 0.00 39.78 38.80 1paz n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1paz s VAL 42 N -2.59 0.15 -0.11 3.53 0.11 -1.26 -4.12 120.40 116.11 1paz s VAL 42 Ca 0.09 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 1paz s VAL 42 Cb -0.01 -0.18 0.03 0.00 -1.53 0.00 0.00 36.38 34.70 1paz s VAL 42 CO 0.06 0.08 0.28 -0.70 -3.33 0.00 0.00 175.10 171.49 1paz s GLU 43 N 0.33 0.31 0.39 1.54 2.12 0.64 -0.46 118.70 123.58 1paz s GLU 43 Ca -0.03 0.41 -0.25 0.00 0.36 0.00 0.00 54.97 55.46 1paz s GLU 43 Cb -0.05 0.12 -0.09 0.00 0.26 0.00 0.00 34.13 34.37 1paz s GLU 43 CO -0.01 -0.05 1.14 -1.54 -0.54 0.00 0.00 175.26 174.26 1paz s SER 44 N 0.29 6.63 -0.08 -1.70 1.04 0.00 -0.92 113.70 118.96 1paz s SER 44 Ca -0.01 2.28 -0.19 0.00 0.48 0.00 0.00 55.95 58.51 1paz s SER 44 Cb -0.03 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 1paz s SER 44 CO -0.01 -0.60 0.51 -0.63 0.98 0.00 0.00 173.24 173.50 1paz s ILE 45 N -1.44 5.10 0.22 -1.02 1.01 -0.98 -4.81 121.20 119.28 1paz s ILE 45 Ca 0.56 1.05 -0.32 0.00 0.00 0.00 0.00 60.65 61.94 1paz s ILE 45 Cb -0.29 -3.85 -0.13 0.00 0.01 0.00 0.00 42.46 38.20 1paz s ILE 45 CO 0.36 0.36 1.46 1.17 0.00 0.00 0.00 174.94 178.30 1paz n LYS 46 N 3.31 2.10 -1.25 2.79 4.81 -1.26 -1.32 118.16 127.34 1paz n LYS 46 Ca -0.07 0.75 -0.09 0.00 -0.87 0.00 0.00 58.31 58.03 1paz n LYS 46 Cb 0.52 -2.44 -0.04 0.00 0.02 0.00 0.00 35.03 33.08 1paz n LYS 46 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1paz n ASP 47 N 2.48 -5.43 -0.59 3.14 10.43 -1.26 -4.83 116.55 120.48 1paz n ASP 47 Ca 0.13 0.21 0.06 0.00 2.57 0.00 0.00 54.79 57.76 1paz n ASP 47 Cb 0.31 -3.69 0.21 0.00 1.84 0.00 0.00 41.12 39.78 1paz n ASP 47 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 1paz n MET 48 N -0.89 1.58 -4.15 -1.24 2.81 -0.44 -4.93 117.12 109.87 1paz n MET 48 Ca -0.09 -3.27 -0.13 0.00 -1.81 0.00 0.00 57.70 52.40 1paz n MET 48 Cb 0.52 -1.62 -0.11 0.00 -0.71 0.00 0.00 33.22 31.30 1paz n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1paz s ILE 49 N -3.22 0.80 0.77 2.02 -4.36 -1.25 -0.71 121.20 115.24 1paz s ILE 49 Ca 0.38 -1.61 -0.14 0.00 -0.26 0.00 0.00 60.65 59.01 1paz s ILE 49 Cb 0.37 -1.31 0.06 0.00 1.25 0.00 0.00 42.46 42.83 1paz s ILE 49 CO -0.06 -0.61 1.21 -2.84 0.24 0.00 0.00 174.94 172.88 1paz s PRO 50 N -2.84 1.87 0.09 0.37 0.02 -1.23 -4.92 135.00 128.35 1paz s PRO 50 Ca 0.04 1.76 -0.31 0.00 0.02 0.00 0.00 61.00 62.51 1paz s PRO 50 Cb -0.02 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.62 1paz s PRO 50 CO -0.01 -2.04 1.53 -1.21 -0.33 0.00 0.00 177.00 174.94 1paz s GLU 51 N -4.04 4.24 0.00 5.54 0.41 -1.26 -1.94 118.70 121.64 1paz s GLU 51 Ca 0.74 2.21 0.00 0.00 -0.41 0.00 0.00 54.97 57.51 1paz s GLU 51 Cb -0.29 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 1paz s GLU 51 CO 0.48 -0.61 0.00 0.41 -0.49 0.00 0.00 175.26 175.05 1paz n GLY 52 N 3.77 0.35 3.82 -1.39 0.00 -1.26 -5.01 105.19 105.48 1paz n GLY 52 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1paz n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1paz s ALA 53 N -2.12 3.29 0.10 4.61 0.00 -0.82 -4.96 121.76 121.86 1paz s ALA 53 Ca 0.00 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 1paz s ALA 53 Cb 0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.15 1paz s ALA 53 CO 0.00 0.27 0.56 -2.00 0.00 0.00 0.00 175.76 174.59 1paz s GLU 54 N -2.58 4.09 0.67 0.00 2.56 -1.26 -4.93 118.70 117.26 1paz s GLU 54 Ca 0.51 0.62 -0.16 0.00 0.00 0.00 0.00 54.97 55.95 1paz s GLU 54 Cb -0.13 -3.10 0.01 0.00 2.00 0.00 0.00 34.13 32.91 1paz s GLU 54 CO 0.19 0.57 1.17 0.15 -0.56 0.00 0.00 175.26 176.77 1paz s LYS 55 N -1.48 2.57 0.03 4.30 3.01 -1.26 -5.04 119.74 121.87 1paz s LYS 55 Ca 0.33 1.63 -0.12 0.00 -1.01 0.00 0.00 55.97 56.80 1paz s LYS 55 Cb -0.17 -1.90 0.01 0.00 -1.01 0.00 0.00 37.83 34.76 1paz s LYS 55 CO 0.19 -1.47 0.25 -0.59 0.51 0.00 0.00 175.35 174.24 1paz s PHE 56 N -2.03 -0.04 -0.26 3.18 -0.71 -1.26 -5.00 117.98 111.84 1paz s PHE 56 Ca 0.72 -0.09 -0.08 0.00 -1.04 0.00 0.00 56.93 56.43 1paz s PHE 56 Cb -0.26 0.04 0.12 0.00 -1.21 0.00 0.00 43.02 41.71 1paz s PHE 56 CO 0.41 -0.45 0.57 0.21 -1.34 0.00 0.00 175.22 174.62 1paz s LYS 57 N -2.33 0.49 0.51 1.99 2.20 -1.26 -0.82 119.74 120.52 1paz s LYS 57 Ca -0.07 1.28 -0.01 0.00 -0.36 0.00 0.00 55.97 56.82 1paz s LYS 57 Cb -0.02 0.66 0.01 0.00 -1.51 0.00 0.00 37.83 36.97 1paz s LYS 57 CO -0.02 -0.24 0.75 -1.54 -0.36 0.00 0.00 175.35 173.93 1paz s SER 58 N 2.80 5.60 0.27 1.43 1.04 0.39 -5.01 113.70 120.21 1paz s SER 58 Ca -0.03 0.28 -0.18 0.00 0.48 0.00 0.00 55.95 56.50 1paz s SER 58 Cb -0.12 -1.36 -0.09 0.00 0.10 0.00 0.00 66.02 64.55 1paz s SER 58 CO -0.17 -0.92 0.73 -0.54 0.98 0.00 0.00 173.24 173.33 1paz s LYS 59 N -4.71 4.15 0.22 4.02 1.02 -1.26 -4.52 119.74 118.66 1paz s LYS 59 Ca 0.52 0.79 -0.32 0.00 0.02 0.00 0.00 55.97 56.98 1paz s LYS 59 Cb -0.10 -2.68 -0.13 0.00 -0.52 0.00 0.00 37.83 34.40 1paz s LYS 59 CO 0.39 0.29 1.56 -0.89 -0.92 0.00 0.00 175.35 175.78 1paz n ILE 60 N 0.25 0.47 -0.92 2.17 5.41 -1.26 -1.90 119.36 123.59 1paz n ILE 60 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1paz n ILE 60 Cb 0.52 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 1paz n ILE 60 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1paz n ASN 61 N 2.90 -1.37 -4.87 4.38 3.02 0.06 -4.96 115.26 114.42 1paz n ASN 61 Ca 0.14 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.34 1paz n ASN 61 Cb 0.32 -0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 38.55 1paz n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1paz s GLU 62 N -0.36 3.73 -0.02 3.52 -1.05 -0.80 -4.81 118.70 118.91 1paz s GLU 62 Ca 0.00 0.13 -0.30 0.00 -0.15 0.00 0.00 54.97 54.65 1paz s GLU 62 Cb 0.00 -2.98 -0.05 0.00 -0.44 0.00 0.00 34.13 30.67 1paz s GLU 62 CO 0.00 0.55 1.33 -0.80 0.95 0.00 0.00 175.26 177.29 1paz s ASN 63 N -1.85 6.92 -0.08 0.83 -0.87 -1.26 -4.58 114.94 114.06 1paz s ASN 63 Ca 0.34 2.00 0.05 0.00 -1.57 0.00 0.00 52.86 53.67 1paz s ASN 63 Cb -0.14 -2.56 -0.00 0.00 -0.02 0.00 0.00 41.25 38.53 1paz s ASN 63 CO 0.19 -0.67 -0.24 -0.47 -2.57 0.00 0.00 177.10 173.34 1paz s TYR 64 N 2.37 2.43 -0.26 2.20 5.04 -0.39 -4.97 117.35 123.77 1paz s TYR 64 Ca 0.61 -0.89 -0.03 0.00 -2.44 0.00 0.00 57.07 54.32 1paz s TYR 64 Cb -0.29 -1.62 0.02 0.00 0.35 0.00 0.00 41.96 40.42 1paz s TYR 64 CO 0.25 -0.33 -0.02 0.08 -1.34 0.00 0.00 175.55 174.19 1paz s VAL 65 N 0.16 3.25 -0.20 3.14 1.01 -1.26 0.06 120.40 126.56 1paz s VAL 65 Ca -0.13 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 1paz s VAL 65 Cb -0.16 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1paz s VAL 65 CO 0.07 0.19 0.12 -0.22 0.00 0.00 0.00 175.10 175.25 1paz s LEU 66 N 1.39 4.08 -0.22 3.92 2.96 0.31 -4.95 118.68 126.18 1paz s LEU 66 Ca 0.01 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.99 1paz s LEU 66 Cb -0.17 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1paz s LEU 66 CO -0.02 0.16 0.17 -0.89 -1.32 0.00 0.00 176.35 174.44 1paz s THR 67 N 0.47 5.37 -0.23 3.68 2.01 -1.26 -0.26 115.64 125.42 1paz s THR 67 Ca 0.07 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 1paz s THR 67 Cb -0.12 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1paz s THR 67 CO -0.01 0.38 0.11 0.68 -0.69 0.00 0.00 174.62 175.10 1paz s VAL 68 N 0.76 4.95 -0.03 3.82 -7.23 -0.67 -4.98 120.40 117.03 1paz s VAL 68 Ca 0.09 0.04 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1paz s VAL 68 Cb -0.13 -3.29 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 1paz s VAL 68 CO 0.02 0.37 -0.11 0.41 -0.31 0.00 0.00 175.10 175.48 1paz n THR 69 N 4.28 0.83 -2.18 5.32 -1.04 -1.26 0.12 114.28 120.34 1paz n THR 69 Ca -0.16 0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.70 1paz n THR 69 Cb 0.52 -1.69 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 1paz n THR 69 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1paz s GLN 70 N -1.88 4.34 0.69 -2.82 -1.52 -1.26 -4.45 119.66 112.75 1paz s GLN 70 Ca -0.09 2.08 -0.14 0.00 -1.95 0.00 0.00 55.36 55.26 1paz s GLN 70 Cb 0.01 -3.22 0.01 0.00 -0.22 0.00 0.00 33.01 29.60 1paz s GLN 70 CO 0.13 -0.37 1.12 -2.14 -0.25 0.00 0.00 175.29 173.78 1paz s PRO 71 N 0.59 2.62 0.00 2.91 0.02 -1.26 -4.81 135.00 135.07 1paz s PRO 71 Ca 0.61 1.39 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1paz s PRO 71 Cb -0.37 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1paz s PRO 71 CO 0.34 -1.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 1paz n GLY 72 N -0.53 0.64 3.85 0.52 0.00 0.23 -4.80 105.19 105.10 1paz n GLY 72 Ca 0.10 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 1paz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1paz s ALA 73 N -1.42 3.81 -0.07 4.61 0.00 -1.26 -0.38 121.76 127.05 1paz s ALA 73 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1paz s ALA 73 Cb 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1paz s ALA 73 CO 0.00 0.75 -0.07 0.71 0.00 0.00 0.00 175.76 177.15 1paz s TYR 74 N -1.33 1.12 -0.22 0.00 1.51 0.08 -3.52 117.35 114.98 1paz s TYR 74 Ca 0.28 -0.43 -0.07 0.00 -1.01 0.00 0.00 57.07 55.83 1paz s TYR 74 Cb -0.12 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 1paz s TYR 74 CO 0.19 -0.32 0.07 -1.17 -1.11 0.00 0.00 175.55 173.22 1paz s LEU 75 N 1.21 3.61 0.21 -1.29 2.96 0.11 -0.75 118.68 124.73 1paz s LEU 75 Ca -0.05 -0.09 0.09 0.00 -0.22 0.00 0.00 54.13 53.85 1paz s LEU 75 Cb -0.14 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1paz s LEU 75 CO -0.02 0.05 -0.04 0.68 -1.32 0.00 0.00 176.35 175.69 1paz s VAL 76 N 1.14 3.40 0.22 1.68 -7.23 -0.32 -2.31 120.40 116.98 1paz s VAL 76 Ca 0.05 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1paz s VAL 76 Cb -0.14 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 1paz s VAL 76 CO 0.03 -0.20 0.04 -1.59 -0.31 0.00 0.00 175.10 173.07 1paz s LYS 77 N -3.15 1.30 -0.25 4.82 -2.85 -0.10 -1.77 119.74 117.74 1paz s LYS 77 Ca 0.28 -1.67 -0.14 0.00 -1.00 0.00 0.00 55.97 53.43 1paz s LYS 77 Cb -0.08 -0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 35.28 1paz s LYS 77 CO 0.18 -0.19 0.35 0.00 0.10 0.00 0.00 175.35 175.78 1paz h THR 79 N 5.29 0.09 -0.37 0.00 2.02 -1.90 -0.96 112.91 117.08 1paz h THR 79 Ca -0.33 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1paz h THR 79 Cb 1.16 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1paz h THR 79 CO 0.65 0.00 0.13 1.55 0.37 0.00 0.00 175.52 178.22 1paz h PRO 80 N -0.56 0.53 -0.34 6.66 0.13 -1.94 -3.24 132.00 133.23 1paz h PRO 80 Ca 0.05 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1paz h PRO 80 Cb 0.66 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1paz h PRO 80 CO -0.39 0.46 0.00 0.72 -0.23 0.00 0.00 178.00 178.56 1paz n HIS 81 N -4.37 1.12 -0.08 1.56 8.25 -0.99 -4.67 115.22 116.04 1paz n HIS 81 Ca 0.02 -0.80 -0.07 0.00 -0.26 0.00 0.00 57.72 56.61 1paz n HIS 81 Cb 0.16 -0.32 -0.00 0.00 1.12 0.00 0.00 29.99 30.94 1paz n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1paz h TYR 82 N 2.31 -0.07 0.00 4.41 3.20 -1.21 -0.58 116.97 125.03 1paz h TYR 82 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1paz h TYR 82 Cb 1.47 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.81 1paz h TYR 82 CO 0.59 -0.08 0.00 0.00 -1.64 0.00 0.00 178.16 177.03 1paz h ALA 83 N 1.27 1.00 -0.22 1.82 0.00 -1.86 0.80 119.26 122.06 1paz h ALA 83 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1paz h ALA 83 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1paz h ALA 83 CO -0.26 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.66 1paz n MET 84 N -2.31 2.08 -0.42 0.00 2.81 -0.28 -4.81 117.12 114.20 1paz n MET 84 Ca 0.01 -1.62 0.00 0.00 -1.81 0.00 0.00 57.70 54.27 1paz n MET 84 Cb 0.15 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1paz n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1paz n GLY 85 N 1.30 0.75 3.53 3.03 0.00 0.27 -4.86 105.19 109.21 1paz n GLY 85 Ca 0.17 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1paz n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1paz s MET 86 N -0.80 3.52 0.13 1.61 -2.45 -0.89 -4.82 119.30 115.59 1paz s MET 86 Ca 0.00 -1.13 -0.01 0.00 -1.25 0.00 0.00 55.69 53.31 1paz s MET 86 Cb 0.00 -5.07 -0.04 0.00 1.25 0.00 0.00 34.83 30.97 1paz s MET 86 CO 0.00 -2.09 0.05 0.96 1.05 0.00 0.00 175.02 174.98 1paz s ILE 87 N 4.56 0.14 0.00 10.11 -5.25 -1.26 -1.64 121.20 127.87 1paz s ILE 87 Ca 0.41 -1.91 -0.05 0.00 -0.99 0.00 0.00 60.65 58.11 1paz s ILE 87 Cb -0.03 -2.00 -0.00 0.00 2.95 0.00 0.00 42.46 43.37 1paz s ILE 87 CO -0.06 -0.51 0.09 0.00 -1.79 0.00 0.00 174.94 172.68 1paz s ALA 88 N -4.02 -0.21 -0.17 2.27 0.00 -0.73 -4.46 121.76 114.45 1paz s ALA 88 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 1paz s ALA 88 Cb 0.07 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 1paz s ALA 88 CO 0.01 -0.18 -0.11 -1.17 0.00 0.00 0.00 175.76 174.30 1paz s LEU 89 N -1.30 2.69 -0.19 0.00 2.96 0.92 -1.17 118.68 122.58 1paz s LEU 89 Ca -0.14 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 1paz s LEU 89 Cb -0.08 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1paz s LEU 89 CO 0.01 0.08 0.01 -0.63 -1.32 0.00 0.00 176.35 174.50 1paz s ILE 90 N 0.86 4.15 -0.28 6.68 1.01 0.07 -0.43 121.20 133.26 1paz s ILE 90 Ca -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1paz s ILE 90 Cb -0.15 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1paz s ILE 90 CO 0.00 0.44 0.01 0.00 0.00 0.00 0.00 174.94 175.39 1paz s ALA 91 N 0.81 2.88 -0.24 9.38 0.00 0.18 -0.74 121.76 134.03 1paz s ALA 91 Ca 0.01 -1.52 -0.07 0.00 0.00 0.00 0.00 51.96 50.38 1paz s ALA 91 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1paz s ALA 91 CO 0.02 -0.96 0.06 0.08 0.00 0.00 0.00 175.76 174.97 1paz s VAL 92 N 1.39 4.30 0.02 0.00 1.01 0.49 -0.91 120.40 126.70 1paz s VAL 92 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1paz s VAL 92 Cb -0.17 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1paz s VAL 92 CO -0.01 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1paz n GLY 93 N 4.77 -2.23 3.87 4.51 0.00 -0.68 -0.60 105.19 114.83 1paz n GLY 93 Ca -0.16 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1paz n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1paz s ASP 94 N -2.47 6.57 -0.71 1.61 -0.00 -1.26 -4.56 116.67 115.83 1paz s ASP 94 Ca 0.00 1.12 -0.03 0.00 -0.00 0.00 0.00 52.55 53.64 1paz s ASP 94 Cb 0.00 -2.32 0.00 0.00 -0.00 0.00 0.00 42.92 40.61 1paz s ASP 94 CO 0.00 -0.34 0.50 -1.20 -0.00 0.00 0.00 175.17 174.13 1paz n SER 95 N -1.05 -3.86 -4.69 0.27 7.64 -1.26 -4.73 113.62 105.94 1paz n SER 95 Ca 0.02 -0.84 -0.51 0.00 1.01 0.00 0.00 58.87 58.55 1paz n SER 95 Cb 0.54 -1.30 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 1paz n SER 95 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1paz n PRO 96 N -2.48 1.83 0.25 1.43 -0.04 -1.26 -4.84 135.00 129.88 1paz n PRO 96 Ca -0.25 0.67 0.09 0.00 -0.04 0.00 0.00 63.50 63.97 1paz n PRO 96 Cb 0.56 -2.46 0.64 0.00 -0.04 0.00 0.00 33.50 32.21 1paz n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1paz h ALA 97 N 8.25 1.57 -0.72 0.55 0.00 -1.93 -2.89 119.26 124.10 1paz h ALA 97 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1paz h ALA 97 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1paz h ALA 97 CO 0.94 0.15 0.00 0.27 0.00 0.00 0.00 179.25 180.61 1paz n ASN 98 N -4.07 3.96 -0.06 0.00 6.94 -1.26 -4.61 115.26 116.16 1paz n ASN 98 Ca -0.02 -2.00 -0.10 0.00 -0.02 0.00 0.00 54.58 52.44 1paz n ASN 98 Cb 0.20 -0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 37.11 1paz n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1paz h LEU 99 N 4.34 0.27 -1.04 -4.53 5.85 -1.88 -1.42 115.31 116.90 1paz h LEU 99 Ca 0.00 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1paz h LEU 99 Cb 1.00 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1paz h LEU 99 CO 0.00 0.25 0.54 0.44 -0.34 0.00 0.00 178.44 179.33 1paz h ASP 100 N 0.26 1.06 -0.09 1.25 3.32 -1.83 0.03 116.42 120.41 1paz h ASP 100 Ca 0.08 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1paz h ASP 100 Cb 0.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1paz h ASP 100 CO -0.01 0.80 0.05 -0.61 -1.72 0.00 0.00 179.24 177.75 1paz h GLN 101 N 1.22 0.12 -0.75 3.56 -0.00 -1.81 -1.62 115.11 115.83 1paz h GLN 101 Ca 0.32 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.95 1paz h GLN 101 Cb -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.36 1paz h GLN 101 CO -0.06 0.14 0.45 0.82 0.00 0.00 0.00 178.83 180.18 1paz h ILE 102 N 0.07 1.21 -0.97 2.39 2.04 -0.68 -1.10 117.51 120.46 1paz h ILE 102 Ca 0.03 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1paz h ILE 102 Cb 0.06 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 1paz h ILE 102 CO -0.01 0.22 0.64 0.58 0.00 0.00 0.00 178.15 179.58 1paz h VAL 103 N 1.02 1.20 0.00 1.67 2.07 -0.72 -2.66 116.25 118.82 1paz h VAL 103 Ca 0.27 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1paz h VAL 103 Cb -0.04 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.56 1paz h VAL 103 CO -0.05 0.23 -0.12 0.28 0.02 0.00 0.00 177.57 177.93 1paz h SER 104 N 1.26 0.00 -4.14 0.57 0.02 -0.84 -3.48 113.55 106.95 1paz h SER 104 Ca 0.38 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.78 1paz h SER 104 Cb -0.05 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.64 1paz h SER 104 CO -0.10 0.12 0.45 0.00 -1.14 0.00 0.00 176.83 176.16 1paz s ALA 105 N -3.26 2.28 0.08 3.77 0.00 -0.46 -4.95 121.76 119.22 1paz s ALA 105 Ca 0.05 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.74 1paz s ALA 105 Cb 0.07 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 1paz s ALA 105 CO 0.66 -1.67 1.56 0.21 0.00 0.00 0.00 175.76 176.52 1paz s LYS 106 N -3.61 4.23 0.10 0.00 2.20 -1.26 -4.98 119.74 116.43 1paz s LYS 106 Ca 0.78 2.24 -0.25 0.00 -0.36 0.00 0.00 55.97 58.38 1paz s LYS 106 Cb -0.33 -3.47 0.08 0.00 -1.51 0.00 0.00 37.83 32.60 1paz s LYS 106 CO 0.41 -0.65 0.73 -1.59 -0.36 0.00 0.00 175.35 173.89 1paz s LYS 107 N 2.14 1.12 0.54 4.03 -2.85 -1.26 -5.16 119.74 118.30 1paz s LYS 107 Ca 0.70 -0.43 -0.21 0.00 -1.00 0.00 0.00 55.97 55.03 1paz s LYS 107 Cb -0.39 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 35.82 1paz s LYS 107 CO 0.31 -0.49 1.03 -2.30 0.10 0.00 0.00 175.35 173.99 1paz n PRO 108 N -0.33 1.17 -0.27 1.78 -0.02 -1.26 -4.72 135.00 131.34 1paz n PRO 108 Ca -0.13 0.43 -0.02 0.00 -2.02 0.00 0.00 63.50 61.77 1paz n PRO 108 Cb 0.63 -2.18 0.10 0.00 -0.02 0.00 0.00 33.50 32.03 1paz n PRO 108 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1paz h LYS 109 N 0.97 0.85 -0.88 -0.52 3.64 -1.99 0.13 116.57 118.77 1paz h LYS 109 Ca -0.48 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1paz h LYS 109 Cb 1.35 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1paz h LYS 109 CO 0.54 0.56 0.47 0.97 -2.27 0.00 0.00 179.45 179.71 1paz h ILE 110 N 0.87 1.26 -0.05 2.00 6.09 -1.90 -0.33 117.51 125.45 1paz h ILE 110 Ca 0.32 -0.67 -0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1paz h ILE 110 Cb 0.09 0.09 -0.00 0.00 0.47 0.00 0.00 36.82 37.47 1paz h ILE 110 CO -0.14 0.30 0.03 0.58 -3.07 0.00 0.00 178.15 175.85 1paz h VAL 111 N 1.24 1.06 -0.56 2.19 2.07 -1.59 -1.42 116.25 119.24 1paz h VAL 111 Ca 0.31 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.70 1paz h VAL 111 Cb 0.06 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1paz h VAL 111 CO -0.05 0.05 0.28 -0.61 0.02 0.00 0.00 177.57 177.27 1paz h GLN 112 N 0.01 0.52 -0.20 1.57 5.75 -0.27 -0.50 115.11 122.00 1paz h GLN 112 Ca 0.02 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1paz h GLN 112 Cb 0.06 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1paz h GLN 112 CO -0.00 0.35 0.13 0.93 -2.65 0.00 0.00 178.83 177.58 1paz h GLU 113 N 0.54 0.27 -0.86 1.69 5.08 -0.80 -1.06 114.58 119.44 1paz h GLU 113 Ca 0.25 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1paz h GLU 113 Cb 0.18 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1paz h GLU 113 CO -0.18 0.21 0.49 0.00 -1.00 0.00 0.00 179.01 178.53 1paz h ARG 114 N 0.25 1.20 -0.47 2.33 3.08 -0.86 -2.20 114.38 117.70 1paz h ARG 114 Ca 0.07 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1paz h ARG 114 Cb 0.00 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 1paz h ARG 114 CO -0.01 0.87 0.30 1.25 -1.07 0.00 0.00 179.97 181.30 1paz h LEU 115 N 1.20 0.50 -0.74 3.04 5.85 -0.78 0.20 115.31 124.59 1paz h LEU 115 Ca 0.31 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1paz h LEU 115 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1paz h LEU 115 CO -0.05 0.36 0.48 -0.33 -0.34 0.00 0.00 178.44 178.56 1paz h GLU 116 N 0.61 0.98 0.04 1.25 5.08 -1.01 0.26 114.58 121.78 1paz h GLU 116 Ca 0.18 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1paz h GLU 116 Cb -0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1paz h GLU 116 CO -0.06 0.66 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.37 1paz h LYS 117 N 1.00 -0.05 -0.52 2.33 3.64 -0.94 -2.19 116.57 119.84 1paz h LYS 117 Ca 0.27 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.71 1paz h LYS 117 Cb -0.10 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1paz h LYS 117 CO -0.06 0.18 0.23 -0.39 -2.27 0.00 0.00 179.45 177.15 1paz h VAL 118 N -0.28 0.89 0.00 2.00 -1.51 -0.27 -1.27 116.25 115.82 1paz h VAL 118 Ca -0.01 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 1paz h VAL 118 Cb 0.26 0.40 -0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1paz h VAL 118 CO 0.01 0.08 -0.03 0.40 -1.23 0.00 0.00 177.57 176.80 1paz h ILE 119 N 0.45 0.99 -0.03 7.19 2.04 -0.88 -3.47 117.51 123.80 1paz h ILE 119 Ca 0.24 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1paz h ILE 119 Cb 0.21 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1paz h ILE 119 CO -0.20 0.03 0.00 0.00 0.00 0.00 0.00 178.15 177.98