#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5paz s ASN 2 N 0.00 4.11 -0.07 -1.84 2.47 -1.26 -1.16 114.94 117.19 5paz s ASN 2 Ca 0.00 -0.25 0.01 0.00 0.42 0.00 0.00 52.86 53.05 5paz s ASN 2 Cb 0.00 -0.84 0.02 0.00 -1.45 0.00 0.00 41.25 38.98 5paz s ASN 2 CO 0.00 0.31 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.96 5paz s ILE 3 N -0.85 1.03 -0.13 -5.21 1.09 -0.35 -4.96 121.20 111.81 5paz s ILE 3 Ca 0.14 -0.38 -0.11 0.00 -1.10 0.00 0.00 60.65 59.19 5paz s ILE 3 Cb -0.11 -0.97 -0.05 0.00 -1.06 0.00 0.00 42.46 40.27 5paz s ILE 3 CO 0.03 0.34 0.23 -0.70 -0.10 0.00 0.00 174.94 174.75 5paz s GLU 4 N 0.94 3.92 -0.05 2.79 2.12 -1.26 -0.95 118.70 126.21 5paz s GLU 4 Ca -0.10 0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.29 5paz s GLU 4 Cb -0.15 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.93 5paz s GLU 4 CO 0.00 0.50 -0.15 0.08 -0.54 0.00 0.00 175.26 175.16 5paz s VAL 5 N -0.30 1.28 0.02 3.70 1.01 -0.16 -4.55 120.40 121.40 5paz s VAL 5 Ca 0.16 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.54 5paz s VAL 5 Cb -0.13 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 5paz s VAL 5 CO 0.04 0.38 0.04 -1.00 0.00 0.00 0.00 175.10 174.56 5paz s HIS 6 N 0.20 3.15 -0.26 5.22 3.76 0.50 -0.70 115.29 127.17 5paz s HIS 6 Ca -0.06 0.11 -0.07 0.00 -0.15 0.00 0.00 55.06 54.88 5paz s HIS 6 Cb -0.12 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 5paz s HIS 6 CO 0.02 0.50 0.08 -1.64 -0.85 0.00 0.00 174.74 172.85 5paz s MET 7 N -1.85 3.61 0.10 1.40 -1.94 -0.74 -0.65 119.30 119.22 5paz s MET 7 Ca 0.23 -0.51 0.04 0.00 -1.71 0.00 0.00 55.69 53.74 5paz s MET 7 Cb -0.12 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 5paz s MET 7 CO 0.14 -0.22 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.32 5paz s LEU 8 N 1.61 2.40 0.29 -0.03 1.43 -0.66 -2.08 118.68 121.64 5paz s LEU 8 Ca 0.06 -0.80 0.10 0.00 -1.03 0.00 0.00 54.13 52.46 5paz s LEU 8 Cb -0.15 -0.37 0.44 0.00 0.03 0.00 0.00 46.19 46.13 5paz s LEU 8 CO 0.04 -0.22 1.66 0.78 0.23 0.00 0.00 176.35 178.84 5paz h ASN 9 N 3.59 0.07 -3.32 2.29 2.35 -1.92 -0.89 115.58 117.75 5paz h ASN 9 Ca -0.38 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.18 5paz h ASN 9 Cb 1.19 -0.02 -0.28 0.00 0.05 0.00 0.00 38.32 39.26 5paz h ASN 9 CO 0.52 0.59 -0.39 -0.75 -1.65 0.00 0.00 177.43 175.75 5paz s LYS 10 N -3.83 0.30 0.00 0.81 2.36 -1.26 0.75 119.74 118.87 5paz s LYS 10 Ca -0.02 0.65 0.00 0.00 -2.55 0.00 0.00 55.97 54.04 5paz s LYS 10 Cb 0.13 -0.06 0.00 0.00 -1.05 0.00 0.00 37.83 36.85 5paz s LYS 10 CO 0.76 -0.15 0.00 0.41 1.55 0.00 0.00 175.35 177.92 5paz n GLY 11 N 4.18 5.14 0.37 5.54 0.00 0.43 -4.95 105.19 115.89 5paz n GLY 11 Ca -0.24 -1.36 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 5paz n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5paz h ALA 12 N 1.04 1.34 -0.05 4.61 0.00 -2.01 -2.62 119.26 121.56 5paz h ALA 12 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 5paz h ALA 12 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.42 5paz h ALA 12 CO 0.00 0.61 0.00 0.39 0.00 0.00 0.00 179.25 180.25 5paz n GLU 13 N -4.40 1.69 0.00 0.00 -0.58 -1.26 -5.05 120.64 111.04 5paz n GLU 13 Ca 0.11 -1.01 0.00 0.00 -0.42 0.00 0.00 57.16 55.84 5paz n GLU 13 Cb 0.03 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 5paz n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 5paz n GLY 14 N 1.17 0.64 3.80 0.62 0.00 -0.99 -5.08 105.19 105.35 5paz n GLY 14 Ca 0.18 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 5paz n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5paz s ALA 15 N -1.52 3.09 -0.43 4.61 0.00 -1.26 -0.43 121.76 125.81 5paz s ALA 15 Ca 0.00 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 5paz s ALA 15 Cb 0.00 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.94 5paz s ALA 15 CO 0.00 0.00 0.61 -1.33 0.00 0.00 0.00 175.76 175.04 5paz n MET 16 N -0.16 -2.33 -4.24 0.00 2.81 0.23 -4.84 117.12 108.59 5paz n MET 16 Ca 0.05 2.04 -0.14 0.00 -1.81 0.00 0.00 57.70 57.84 5paz n MET 16 Cb 0.51 -5.23 -0.10 0.00 -0.71 0.00 0.00 33.22 27.69 5paz n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 5paz s VAL 17 N -2.47 1.03 -0.11 2.03 -7.23 -0.34 -3.76 120.40 109.55 5paz s VAL 17 Ca 0.27 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 5paz s VAL 17 Cb -0.07 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 5paz s VAL 17 CO 0.78 -0.70 0.09 -0.36 -0.31 0.00 0.00 175.10 174.61 5paz s PHE 18 N -3.42 3.44 -0.12 2.82 0.08 -1.26 -1.65 117.98 117.87 5paz s PHE 18 Ca 0.18 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.62 5paz s PHE 18 Cb 0.04 -1.91 0.04 0.00 -0.57 0.00 0.00 43.02 40.61 5paz s PHE 18 CO 0.01 0.62 -0.03 -1.21 -0.10 0.00 0.00 175.22 174.51 5paz s GLU 19 N -0.88 1.04 0.82 0.44 2.02 0.17 -3.18 118.70 119.14 5paz s GLU 19 Ca 0.14 -0.21 -0.12 0.00 0.02 0.00 0.00 54.97 54.80 5paz s GLU 19 Cb -0.12 -1.55 0.08 0.00 0.10 0.00 0.00 34.13 32.65 5paz s GLU 19 CO 0.03 -0.38 1.11 -1.25 0.02 0.00 0.00 175.26 174.79 5paz s PRO 20 N 1.81 1.89 0.00 0.39 0.04 -1.26 -0.37 135.00 137.49 5paz s PRO 20 Ca 0.03 0.56 0.20 0.00 0.04 0.00 0.00 61.00 61.83 5paz s PRO 20 Cb -0.14 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 5paz s PRO 20 CO -0.07 -1.74 0.95 0.00 0.04 0.00 0.00 177.00 176.18 5paz n ALA 21 N -3.50 3.71 -4.00 8.56 0.00 -1.19 -4.84 120.51 119.25 5paz n ALA 21 Ca 0.07 -0.59 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 5paz n ALA 21 Cb 0.57 -0.70 -0.16 0.00 0.00 0.00 0.00 19.45 19.15 5paz n ALA 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 5paz s TYR 22 N -2.41 2.20 -0.16 0.00 5.04 -1.26 0.30 117.35 121.06 5paz s TYR 22 Ca 0.14 -1.32 0.00 0.00 -2.44 0.00 0.00 57.07 53.46 5paz s TYR 22 Cb 0.16 -1.58 0.02 0.00 0.35 0.00 0.00 41.96 40.91 5paz s TYR 22 CO 0.58 -0.69 -0.14 0.42 -1.34 0.00 0.00 175.55 174.38 5paz s ILE 23 N 1.47 1.65 -0.20 3.14 1.09 -0.14 -4.99 121.20 123.22 5paz s ILE 23 Ca 0.03 -0.73 -0.13 0.00 -1.10 0.00 0.00 60.65 58.72 5paz s ILE 23 Cb -0.14 -1.56 -0.05 0.00 -1.06 0.00 0.00 42.46 39.65 5paz s ILE 23 CO -0.10 0.43 0.26 -0.75 -0.10 0.00 0.00 174.94 174.68 5paz s LYS 24 N 1.45 4.17 0.29 2.79 2.47 -1.26 -0.77 119.74 128.87 5paz s LYS 24 Ca 0.04 -0.03 -0.01 0.00 -1.56 0.00 0.00 55.97 54.41 5paz s LYS 24 Cb -0.13 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.73 5paz s LYS 24 CO -0.11 0.11 0.34 0.00 0.16 0.00 0.00 175.35 175.86 5paz s ALA 25 N 0.88 0.97 0.20 3.13 0.00 0.07 -4.96 121.76 122.06 5paz s ALA 25 Ca 0.13 -1.59 0.07 0.00 0.00 0.00 0.00 51.96 50.57 5paz s ALA 25 Cb -0.13 1.28 -0.05 0.00 0.00 0.00 0.00 23.12 24.22 5paz s ALA 25 CO 0.04 -0.72 -0.13 -0.80 0.00 0.00 0.00 175.76 174.15 5paz s ASN 26 N -3.22 2.48 0.28 0.00 0.01 -1.26 -1.57 114.94 111.67 5paz s ASN 26 Ca 0.34 -1.03 -0.30 0.00 -0.71 0.00 0.00 52.86 51.15 5paz s ASN 26 Cb 0.02 -0.12 -0.12 0.00 0.41 0.00 0.00 41.25 41.44 5paz s ASN 26 CO 0.18 -0.21 1.46 -2.65 -1.51 0.00 0.00 177.10 174.38 5paz n PRO 27 N -0.37 2.33 0.00 -0.60 -0.02 -1.26 -1.41 135.00 133.66 5paz n PRO 27 Ca -0.08 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 5paz n PRO 27 Cb 0.61 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 5paz n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5paz n GLY 28 N 1.85 2.32 3.81 -1.23 0.00 0.12 -4.99 105.19 107.07 5paz n GLY 28 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 5paz n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 5paz s ASP 29 N -1.52 4.91 0.10 1.61 1.01 -0.50 -4.69 116.67 117.60 5paz s ASP 29 Ca 0.00 1.50 0.08 0.00 0.71 0.00 0.00 52.55 54.84 5paz s ASP 29 Cb 0.00 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 5paz s ASP 29 CO 0.00 -1.73 -0.17 0.42 0.21 0.00 0.00 175.17 173.90 5paz s THR 30 N -3.08 2.89 -0.17 -1.27 -4.23 -0.31 -1.99 115.64 107.48 5paz s THR 30 Ca 0.59 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 5paz s THR 30 Cb -0.14 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.41 5paz s THR 30 CO 0.55 0.14 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.88 5paz s VAL 31 N -1.11 2.03 -0.31 2.29 1.01 0.47 -1.22 120.40 123.57 5paz s VAL 31 Ca 0.18 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 5paz s VAL 31 Cb -0.11 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 5paz s VAL 31 CO 0.10 0.54 0.15 -0.89 0.00 0.00 0.00 175.10 174.99 5paz s THR 32 N 1.25 4.57 -0.26 3.92 2.01 -0.13 0.02 115.64 127.02 5paz s THR 32 Ca 0.04 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.46 5paz s THR 32 Cb -0.13 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 5paz s THR 32 CO -0.12 0.07 0.38 -0.36 -0.69 0.00 0.00 174.62 173.91 5paz s PHE 33 N 1.61 3.26 -0.23 4.92 0.08 0.39 -0.99 117.98 127.02 5paz s PHE 33 Ca 0.05 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.56 5paz s PHE 33 Cb -0.17 -2.57 0.04 0.00 -0.57 0.00 0.00 43.02 39.75 5paz s PHE 33 CO 0.06 -0.21 -0.13 0.42 -0.10 0.00 0.00 175.22 175.26 5paz s ILE 34 N 2.00 2.24 -0.70 0.64 1.01 0.12 -1.41 121.20 125.10 5paz s ILE 34 Ca 0.16 -1.32 -0.27 0.00 0.00 0.00 0.00 60.65 59.22 5paz s ILE 34 Cb -0.16 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.18 5paz s ILE 34 CO 0.10 0.19 1.23 -2.16 0.00 0.00 0.00 174.94 174.29 5paz s PRO 35 N 1.20 3.25 0.28 2.79 0.04 -1.26 -1.80 135.00 139.50 5paz s PRO 35 Ca -0.03 -0.20 0.14 0.00 0.04 0.00 0.00 61.00 60.95 5paz s PRO 35 Cb -0.17 -4.15 0.32 0.00 0.04 0.00 0.00 34.50 30.54 5paz s PRO 35 CO -0.08 -2.01 1.56 -0.39 0.04 0.00 0.00 177.00 176.13 5paz h VAL 36 N 6.05 1.17 -3.19 -0.36 -1.51 -1.79 -3.43 116.25 113.18 5paz h VAL 36 Ca -0.27 -2.15 -0.63 0.00 -1.23 0.00 0.00 66.70 62.41 5paz h VAL 36 Cb 1.05 2.25 -0.13 0.00 -2.13 0.00 0.00 31.29 32.33 5paz h VAL 36 CO 1.25 0.56 -0.70 -1.81 -1.23 0.00 0.00 177.57 175.64 5paz s ASP 37 N -6.59 4.54 0.56 4.19 1.01 -1.15 -5.05 116.67 114.18 5paz s ASP 37 Ca 0.01 -0.41 -0.16 0.00 0.71 0.00 0.00 52.55 52.69 5paz s ASP 37 Cb 0.11 -0.90 -0.05 0.00 1.01 0.00 0.00 42.92 43.08 5paz s ASP 37 CO 0.74 0.13 1.03 -0.54 0.21 0.00 0.00 175.17 176.74 5paz s LYS 38 N -2.60 3.59 0.00 8.23 3.01 -1.26 -4.38 119.74 126.32 5paz s LYS 38 Ca 0.25 1.11 0.00 0.00 -1.01 0.00 0.00 55.97 56.31 5paz s LYS 38 Cb -0.10 -2.08 0.00 0.00 -1.01 0.00 0.00 37.83 34.64 5paz s LYS 38 CO 0.16 -0.58 0.00 0.41 0.51 0.00 0.00 175.35 175.85 5paz n GLY 39 N -1.20 0.63 3.57 -3.33 0.00 -1.26 -5.00 105.19 98.60 5paz n GLY 39 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 5paz n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 5paz s HIS 40 N -2.00 2.60 0.05 1.61 3.76 -1.26 -4.78 115.29 115.27 5paz s HIS 40 Ca 0.00 -0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 5paz s HIS 40 Cb 0.00 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.47 5paz s HIS 40 CO 0.00 0.56 0.08 0.27 -0.85 0.00 0.00 174.74 174.80 5paz n ASN 41 N -0.26 -0.23 -3.85 1.40 6.94 -1.26 -1.71 115.26 116.28 5paz n ASN 41 Ca -0.09 -1.26 -0.13 0.00 -0.02 0.00 0.00 54.58 53.08 5paz n ASN 41 Cb 0.57 0.42 -0.14 0.00 -2.36 0.00 0.00 39.78 38.27 5paz n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 5paz s VAL 42 N -2.59 -0.01 -0.11 3.53 0.11 -1.26 -4.12 120.40 115.95 5paz s VAL 42 Ca 0.04 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.05 5paz s VAL 42 Cb -0.00 -0.04 0.04 0.00 -1.53 0.00 0.00 36.38 34.84 5paz s VAL 42 CO 0.03 0.02 0.27 -0.70 -3.33 0.00 0.00 175.10 171.38 5paz s GLU 43 N 0.23 0.28 0.37 1.54 2.12 0.42 -1.12 118.70 122.54 5paz s GLU 43 Ca -0.02 0.45 -0.26 0.00 0.36 0.00 0.00 54.97 55.50 5paz s GLU 43 Cb -0.03 0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.32 5paz s GLU 43 CO -0.01 -0.09 1.12 -1.54 -0.54 0.00 0.00 175.26 174.21 5paz s SER 44 N 0.61 6.76 -0.06 -1.70 1.04 -0.30 -1.29 113.70 118.76 5paz s SER 44 Ca -0.04 2.25 -0.18 0.00 0.48 0.00 0.00 55.95 58.46 5paz s SER 44 Cb -0.05 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 5paz s SER 44 CO -0.04 -0.50 0.49 -0.63 0.98 0.00 0.00 173.24 173.54 5paz s ILE 45 N -1.43 5.07 0.18 -1.02 1.01 -1.03 -4.80 121.20 119.18 5paz s ILE 45 Ca 0.54 1.00 -0.33 0.00 0.00 0.00 0.00 60.65 61.86 5paz s ILE 45 Cb -0.29 -3.82 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 5paz s ILE 45 CO 0.36 0.42 1.61 2.29 0.00 0.00 0.00 174.94 179.62 5paz n LYS 46 N 2.92 2.31 -1.00 2.79 -0.00 -1.26 -1.11 118.16 122.80 5paz n LYS 46 Ca -0.09 0.83 -0.00 0.00 -0.00 0.00 0.00 58.31 59.05 5paz n LYS 46 Cb 0.52 -2.62 -0.00 0.00 -0.00 0.00 0.00 35.03 32.93 5paz n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 5paz n ASP 47 N 3.49 -4.08 -1.68 -5.58 2.03 -1.26 -4.87 116.55 104.60 5paz n ASP 47 Ca 0.16 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.42 5paz n ASP 47 Cb 0.30 -1.59 0.08 0.00 -0.72 0.00 0.00 41.12 39.19 5paz n ASP 47 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 5paz n MET 48 N -1.57 1.97 -4.07 -0.67 2.81 -0.27 -4.93 117.12 110.39 5paz n MET 48 Ca -0.00 -3.38 -0.11 0.00 -1.81 0.00 0.00 57.70 52.40 5paz n MET 48 Cb 0.18 -1.52 -0.11 0.00 -0.71 0.00 0.00 33.22 31.06 5paz n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 5paz s ILE 49 N -3.18 0.48 0.80 2.02 -4.36 -1.25 -1.17 121.20 114.54 5paz s ILE 49 Ca 0.39 -1.27 -0.14 0.00 -0.26 0.00 0.00 60.65 59.37 5paz s ILE 49 Cb 0.38 -0.83 0.08 0.00 1.25 0.00 0.00 42.46 43.34 5paz s ILE 49 CO -0.05 -0.54 1.21 -2.65 0.24 0.00 0.00 174.94 173.15 5paz n PRO 50 N 1.09 0.23 -1.95 0.37 -0.02 -1.24 -4.91 135.00 128.58 5paz n PRO 50 Ca -0.20 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 5paz n PRO 50 Cb 0.56 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 5paz n PRO 50 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 5paz s GLU 51 N -4.08 4.22 0.00 -0.52 0.41 -1.26 -2.18 118.70 115.29 5paz s GLU 51 Ca 0.74 2.34 0.00 0.00 -0.41 0.00 0.00 54.97 57.64 5paz s GLU 51 Cb -0.30 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.85 5paz s GLU 51 CO 0.50 -0.61 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 5paz n GLY 52 N 3.77 0.10 3.86 -1.39 0.00 -1.26 -5.01 105.19 105.25 5paz n GLY 52 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 5paz n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5paz s ALA 53 N -2.01 3.44 0.04 4.61 0.00 -0.93 -4.95 121.76 121.97 5paz s ALA 53 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.69 5paz s ALA 53 Cb 0.00 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.46 5paz s ALA 53 CO 0.00 0.37 0.41 -1.21 0.00 0.00 0.00 175.76 175.33 5paz s GLU 54 N -3.02 3.85 0.75 0.00 2.02 -1.26 -4.95 118.70 116.10 5paz s GLU 54 Ca 0.51 0.31 -0.11 0.00 0.02 0.00 0.00 54.97 55.70 5paz s GLU 54 Cb -0.11 -3.11 0.04 0.00 0.10 0.00 0.00 34.13 31.05 5paz s GLU 54 CO 0.21 0.63 1.08 -1.59 0.02 0.00 0.00 175.26 175.60 5paz s LYS 55 N -1.47 2.46 0.08 1.61 0.00 -1.26 -5.04 119.74 116.12 5paz s LYS 55 Ca 0.28 1.08 -0.16 0.00 0.00 0.00 0.00 55.97 57.17 5paz s LYS 55 Cb -0.15 -1.93 0.03 0.00 0.00 0.00 0.00 37.83 35.78 5paz s LYS 55 CO 0.15 -1.47 0.36 -0.59 0.00 0.00 0.00 175.35 173.81 5paz s PHE 56 N -2.96 -0.17 -0.26 1.78 -0.12 -1.26 -5.01 117.98 109.99 5paz s PHE 56 Ca 0.60 -0.02 -0.06 0.00 -0.05 0.00 0.00 56.93 57.40 5paz s PHE 56 Cb -0.16 0.18 0.13 0.00 -0.63 0.00 0.00 43.02 42.54 5paz s PHE 56 CO 0.56 -0.60 0.52 0.21 -0.05 0.00 0.00 175.22 175.85 5paz s LYS 57 N -3.08 0.45 0.60 1.99 2.20 -1.26 -1.15 119.74 119.50 5paz s LYS 57 Ca -0.01 1.07 -0.05 0.00 -0.36 0.00 0.00 55.97 56.61 5paz s LYS 57 Cb 0.01 0.40 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 5paz s LYS 57 CO -0.07 -0.38 0.90 -1.54 -0.36 0.00 0.00 175.35 173.91 5paz s SER 58 N 2.74 5.49 0.26 1.43 1.04 -0.28 -5.01 113.70 119.36 5paz s SER 58 Ca 0.04 0.63 -0.21 0.00 0.48 0.00 0.00 55.95 56.89 5paz s SER 58 Cb -0.13 -1.59 -0.09 0.00 0.10 0.00 0.00 66.02 64.31 5paz s SER 58 CO -0.17 -1.12 0.80 -0.54 0.98 0.00 0.00 173.24 173.19 5paz s LYS 59 N -5.00 4.35 0.34 4.02 1.02 -1.26 -4.56 119.74 118.65 5paz s LYS 59 Ca 0.55 1.01 -0.29 0.00 0.02 0.00 0.00 55.97 57.26 5paz s LYS 59 Cb -0.11 -2.83 -0.12 0.00 -0.52 0.00 0.00 37.83 34.26 5paz s LYS 59 CO 0.44 0.34 1.46 -0.89 -0.92 0.00 0.00 175.35 175.78 5paz n ILE 60 N 0.62 1.74 -0.80 2.17 5.41 -1.26 -2.25 119.36 124.98 5paz n ILE 60 Ca -0.01 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.31 5paz n ILE 60 Cb 0.51 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 5paz n ILE 60 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 5paz n ASN 61 N 0.98 -1.12 -4.82 4.38 3.02 -0.69 -4.98 115.26 112.02 5paz n ASN 61 Ca 0.04 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 5paz n ASN 61 Cb 0.37 -1.51 -0.06 0.00 -0.61 0.00 0.00 39.78 37.98 5paz n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 5paz s GLU 62 N -0.66 4.15 0.21 3.52 -1.05 -0.95 -4.79 118.70 119.13 5paz s GLU 62 Ca 0.00 0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 55.21 5paz s GLU 62 Cb 0.00 -3.12 -0.09 0.00 -0.44 0.00 0.00 34.13 30.48 5paz s GLU 62 CO 0.00 0.57 1.25 -0.80 0.95 0.00 0.00 175.26 177.24 5paz s ASN 63 N -1.32 6.98 -0.04 0.83 -0.87 -1.26 -4.59 114.94 114.67 5paz s ASN 63 Ca 0.33 2.35 0.03 0.00 -1.57 0.00 0.00 52.86 53.99 5paz s ASN 63 Cb -0.18 -2.61 0.01 0.00 -0.02 0.00 0.00 41.25 38.44 5paz s ASN 63 CO 0.19 -0.45 -0.11 -0.47 -2.57 0.00 0.00 177.10 173.70 5paz s TYR 64 N -0.12 1.22 -0.28 2.20 5.04 -0.50 -4.98 117.35 119.94 5paz s TYR 64 Ca 0.54 -0.37 -0.05 0.00 -2.44 0.00 0.00 57.07 54.75 5paz s TYR 64 Cb -0.35 -0.88 0.01 0.00 0.35 0.00 0.00 41.96 41.09 5paz s TYR 64 CO 0.39 -0.17 0.03 0.08 -1.34 0.00 0.00 175.55 174.54 5paz s VAL 65 N 0.37 3.62 -0.21 3.14 1.01 -1.26 -0.46 120.40 126.61 5paz s VAL 65 Ca -0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 5paz s VAL 65 Cb -0.12 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 5paz s VAL 65 CO 0.02 0.13 0.18 -0.22 0.00 0.00 0.00 175.10 175.20 5paz s LEU 66 N 1.45 4.17 -0.24 3.92 2.96 0.10 -4.93 118.68 126.12 5paz s LEU 66 Ca 0.02 0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 54.03 5paz s LEU 66 Cb -0.17 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 5paz s LEU 66 CO 0.00 0.11 0.27 -0.89 -1.32 0.00 0.00 176.35 174.53 5paz s THR 67 N 0.71 5.27 -0.18 3.68 2.01 -1.26 -0.39 115.64 125.47 5paz s THR 67 Ca 0.09 0.41 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 5paz s THR 67 Cb -0.12 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 5paz s THR 67 CO 0.02 0.28 0.18 0.68 -0.69 0.00 0.00 174.62 175.09 5paz s VAL 68 N 1.37 5.38 -0.02 3.82 -7.23 -0.84 -4.96 120.40 117.91 5paz s VAL 68 Ca 0.12 0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.59 5paz s VAL 68 Cb -0.14 -3.52 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 5paz s VAL 68 CO 0.07 0.43 -0.04 1.07 -0.31 0.00 0.00 175.10 176.33 5paz n THR 69 N 3.45 0.21 -2.58 5.32 5.66 -1.26 0.14 114.28 125.21 5paz n THR 69 Ca -0.15 -0.02 -0.41 0.00 -3.05 0.00 0.00 64.05 60.42 5paz n THR 69 Cb 0.52 -1.54 -0.04 0.00 -1.55 0.00 0.00 70.33 67.71 5paz n THR 69 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 5paz s GLN 70 N -2.05 4.64 0.79 1.09 -1.52 -1.26 -4.55 119.66 116.80 5paz s GLN 70 Ca -0.04 1.63 -0.11 0.00 -1.95 0.00 0.00 55.36 54.90 5paz s GLN 70 Cb 0.01 -3.30 0.07 0.00 -0.22 0.00 0.00 33.01 29.57 5paz s GLN 70 CO 0.05 0.14 1.11 -1.25 -0.25 0.00 0.00 175.29 175.08 5paz s PRO 71 N -0.31 2.02 0.00 2.91 0.04 -1.26 -4.84 135.00 133.56 5paz s PRO 71 Ca 0.48 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.80 5paz s PRO 71 Cb -0.28 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.40 5paz s PRO 71 CO 0.33 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.94 5paz n GLY 72 N -0.82 0.76 3.86 0.56 0.00 -0.39 -4.80 105.19 104.37 5paz n GLY 72 Ca 0.10 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 5paz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5paz s ALA 73 N -1.23 3.83 -0.07 4.61 0.00 -1.26 -0.52 121.76 127.13 5paz s ALA 73 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.17 5paz s ALA 73 Cb 0.00 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.36 5paz s ALA 73 CO 0.00 0.73 -0.09 0.71 0.00 0.00 0.00 175.76 177.11 5paz s TYR 74 N -1.28 1.26 -0.20 0.00 1.51 0.93 -3.61 117.35 115.96 5paz s TYR 74 Ca 0.26 -0.48 -0.05 0.00 -1.01 0.00 0.00 57.07 55.78 5paz s TYR 74 Cb -0.12 -0.99 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 5paz s TYR 74 CO 0.17 -0.30 0.01 -1.17 -1.11 0.00 0.00 175.55 173.15 5paz s LEU 75 N 0.96 3.32 0.27 -1.29 2.96 -0.31 -0.38 118.68 124.22 5paz s LEU 75 Ca -0.09 -0.17 0.11 0.00 -0.22 0.00 0.00 54.13 53.75 5paz s LEU 75 Cb -0.15 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 5paz s LEU 75 CO 0.00 0.07 -0.12 0.68 -1.32 0.00 0.00 176.35 175.67 5paz s VAL 76 N 0.96 2.90 0.22 1.68 -7.23 -0.42 -2.47 120.40 116.04 5paz s VAL 76 Ca 0.02 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 5paz s VAL 76 Cb -0.14 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 5paz s VAL 76 CO 0.02 -0.38 0.09 -1.59 -0.31 0.00 0.00 175.10 172.93 5paz s LYS 77 N -3.56 1.28 -0.14 4.82 -2.85 -0.41 -1.72 119.74 117.16 5paz s LYS 77 Ca 0.30 -1.68 -0.20 0.00 -1.00 0.00 0.00 55.97 53.40 5paz s LYS 77 Cb -0.06 -0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.61 5paz s LYS 77 CO 0.17 -0.30 0.58 0.00 0.10 0.00 0.00 175.35 175.90 5paz h THR 79 N 4.91 1.09 0.02 0.00 2.02 -1.91 -1.72 112.91 117.33 5paz h THR 79 Ca -0.37 -0.32 -0.15 0.00 0.77 0.00 0.00 66.41 66.34 5paz h THR 79 Cb 1.17 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 5paz h THR 79 CO 0.76 0.17 -0.60 0.00 0.37 0.00 0.00 175.52 176.21 5paz h ALA 80 N 1.56 0.04 -0.40 6.16 0.00 -1.93 -3.38 119.26 121.30 5paz h ALA 80 Ca 0.32 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.65 5paz h ALA 80 Cb 0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 5paz h ALA 80 CO -0.10 0.33 0.00 0.72 0.00 0.00 0.00 179.25 180.20 5paz n HIS 81 N -4.23 1.36 -0.09 0.00 8.25 -1.15 -4.66 115.22 114.70 5paz n HIS 81 Ca -0.11 -0.79 -0.06 0.00 -0.26 0.00 0.00 57.72 56.50 5paz n HIS 81 Cb 0.68 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.43 5paz n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 5paz h TYR 82 N 2.76 -0.30 0.00 4.41 3.20 -1.50 -0.54 116.97 124.99 5paz h TYR 82 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 5paz h TYR 82 Cb 1.60 0.18 0.00 0.00 1.54 0.00 0.00 36.73 40.05 5paz h TYR 82 CO 0.71 -0.20 0.00 0.00 -1.64 0.00 0.00 178.16 177.04 5paz h ALA 83 N 1.23 1.00 -0.19 1.82 0.00 -1.88 0.15 119.26 121.38 5paz h ALA 83 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 5paz h ALA 83 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 5paz h ALA 83 CO -0.38 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.54 5paz n MET 84 N -2.53 1.84 0.00 0.00 2.81 -0.24 -4.81 117.12 114.19 5paz n MET 84 Ca 0.00 -1.26 0.00 0.00 -1.81 0.00 0.00 57.70 54.63 5paz n MET 84 Cb 0.17 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 5paz n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 5paz n GLY 85 N 1.18 0.87 3.56 3.03 0.00 0.04 -4.91 105.19 108.96 5paz n GLY 85 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 5paz n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 5paz s MET 86 N -0.93 3.41 0.14 1.61 -2.45 -1.02 -4.85 119.30 115.21 5paz s MET 86 Ca 0.00 -0.81 -0.01 0.00 -1.25 0.00 0.00 55.69 53.62 5paz s MET 86 Cb 0.00 -5.03 -0.04 0.00 1.25 0.00 0.00 34.83 31.01 5paz s MET 86 CO 0.00 -2.28 0.05 0.96 1.05 0.00 0.00 175.02 174.80 5paz s ILE 87 N 5.57 0.16 0.02 10.11 -4.36 -1.26 -2.28 121.20 129.17 5paz s ILE 87 Ca 0.45 -1.92 -0.05 0.00 -0.26 0.00 0.00 60.65 58.87 5paz s ILE 87 Cb -0.03 -2.08 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 5paz s ILE 87 CO -0.03 -0.44 0.09 0.00 0.24 0.00 0.00 174.94 174.80 5paz s ALA 88 N -4.01 -0.11 -0.16 2.27 0.00 -0.70 -4.44 121.76 114.61 5paz s ALA 88 Ca 0.25 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 5paz s ALA 88 Cb 0.07 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 5paz s ALA 88 CO 0.03 -0.26 -0.14 -1.17 0.00 0.00 0.00 175.76 174.22 5paz s LEU 89 N -1.79 2.55 -0.21 0.00 2.96 0.15 -1.30 118.68 121.04 5paz s LEU 89 Ca -0.10 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 5paz s LEU 89 Cb -0.05 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 5paz s LEU 89 CO -0.02 0.09 0.02 -0.63 -1.32 0.00 0.00 176.35 174.49 5paz s ILE 90 N 0.80 4.14 -0.36 6.68 1.01 0.49 -0.97 121.20 132.98 5paz s ILE 90 Ca -0.05 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 5paz s ILE 90 Cb -0.15 -2.88 0.06 0.00 0.01 0.00 0.00 42.46 39.49 5paz s ILE 90 CO 0.00 0.42 0.15 0.00 0.00 0.00 0.00 174.94 175.51 5paz s ALA 91 N 1.02 3.10 -0.30 9.38 0.00 0.05 -0.05 121.76 134.96 5paz s ALA 91 Ca 0.02 -1.93 -0.11 0.00 0.00 0.00 0.00 51.96 49.94 5paz s ALA 91 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 5paz s ALA 91 CO 0.02 -1.46 0.18 0.08 0.00 0.00 0.00 175.76 174.59 5paz s VAL 92 N 1.37 5.04 0.00 0.00 1.01 0.33 -0.75 120.40 127.40 5paz s VAL 92 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.87 5paz s VAL 92 Cb -0.21 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.68 5paz s VAL 92 CO 0.02 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.86 5paz n GLY 93 N 5.04 -2.51 3.94 4.51 0.00 -0.61 -1.27 105.19 114.30 5paz n GLY 93 Ca -0.14 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 5paz n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 5paz s ASP 94 N -2.17 6.35 -1.05 1.61 2.15 -1.26 -4.59 116.67 117.71 5paz s ASP 94 Ca 0.00 0.26 -0.19 0.00 0.43 0.00 0.00 52.55 53.05 5paz s ASP 94 Cb 0.00 -1.95 0.02 0.00 -0.30 0.00 0.00 42.92 40.69 5paz s ASP 94 CO 0.00 -0.06 0.68 -1.20 -0.17 0.00 0.00 175.17 174.42 5paz n SER 95 N -0.97 -4.79 -4.68 -0.34 7.64 -1.26 -4.79 113.62 104.43 5paz n SER 95 Ca -0.06 -1.08 -0.47 0.00 1.01 0.00 0.00 58.87 58.27 5paz n SER 95 Cb 0.55 -2.17 -0.04 0.00 -1.01 0.00 0.00 64.21 61.54 5paz n SER 95 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 5paz n PRO 96 N -3.94 2.26 0.25 1.43 -0.02 -1.26 -4.86 135.00 128.86 5paz n PRO 96 Ca -0.17 0.82 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 5paz n PRO 96 Cb 0.61 -2.66 0.64 0.00 -0.02 0.00 0.00 33.50 32.07 5paz n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 5paz h ALA 97 N 8.34 1.75 -0.70 3.55 0.00 -1.92 -3.03 119.26 127.24 5paz h ALA 97 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 5paz h ALA 97 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 5paz h ALA 97 CO 0.93 0.10 0.00 0.27 0.00 0.00 0.00 179.25 180.55 5paz n ASN 98 N -4.27 3.91 -0.04 0.00 6.94 -1.26 -4.58 115.26 115.97 5paz n ASN 98 Ca -0.03 -2.00 -0.12 0.00 -0.02 0.00 0.00 54.58 52.42 5paz n ASN 98 Cb 0.16 -0.47 -0.06 0.00 -2.36 0.00 0.00 39.78 37.05 5paz n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 5paz h LEU 99 N 4.29 0.21 -1.49 -4.53 5.85 -1.89 -1.53 115.31 116.21 5paz h LEU 99 Ca 0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 5paz h LEU 99 Cb 0.99 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 5paz h LEU 99 CO 0.00 0.40 0.15 0.44 -0.34 0.00 0.00 178.44 179.08 5paz h ASP 100 N 0.01 0.44 -0.27 1.25 3.32 -1.84 -0.84 116.42 118.50 5paz h ASP 100 Ca 0.04 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 5paz h ASP 100 Cb 0.27 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 5paz h ASP 100 CO 0.00 0.40 0.10 -0.61 -1.72 0.00 0.00 179.24 177.41 5paz h GLN 101 N 0.49 0.41 -0.79 3.56 -0.00 -1.82 -1.89 115.11 115.08 5paz h GLN 101 Ca 0.12 -0.08 -0.05 0.00 -0.00 0.00 0.00 58.65 58.65 5paz h GLN 101 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.47 5paz h GLN 101 CO -0.01 0.46 0.31 0.82 0.00 0.00 0.00 178.83 180.40 5paz h ILE 102 N 0.28 1.26 -0.38 2.39 2.04 -0.34 -0.89 117.51 121.87 5paz h ILE 102 Ca 0.09 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 5paz h ILE 102 Cb 0.21 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 5paz h ILE 102 CO -0.01 0.34 0.09 0.58 0.00 0.00 0.00 178.15 179.15 5paz h VAL 103 N 1.16 1.18 0.00 1.67 2.07 -0.94 -2.51 116.25 118.87 5paz h VAL 103 Ca 0.26 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.16 5paz h VAL 103 Cb 0.22 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 5paz h VAL 103 CO -0.02 0.23 -0.25 0.28 0.02 0.00 0.00 177.57 177.83 5paz h SER 104 N 0.54 0.00 -4.18 0.57 0.02 -0.76 -3.48 113.55 106.27 5paz h SER 104 Ca 0.13 -0.02 -0.54 0.00 -0.84 0.00 0.00 61.79 60.52 5paz h SER 104 Cb 0.22 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.92 5paz h SER 104 CO -0.00 0.01 0.39 0.00 -1.14 0.00 0.00 176.83 176.08 5paz s ALA 105 N -3.22 2.08 0.23 3.77 0.00 -0.39 -4.94 121.76 119.28 5paz s ALA 105 Ca 0.06 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 5paz s ALA 105 Cb 0.08 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 5paz s ALA 105 CO 0.69 -1.95 1.32 0.21 0.00 0.00 0.00 175.76 176.03 5paz s LYS 106 N -3.94 4.38 0.04 0.00 2.20 -1.26 -4.99 119.74 116.17 5paz s LYS 106 Ca 0.74 2.10 -0.28 0.00 -0.36 0.00 0.00 55.97 58.18 5paz s LYS 106 Cb -0.29 -3.16 0.09 0.00 -1.51 0.00 0.00 37.83 32.95 5paz s LYS 106 CO 0.46 -0.25 0.89 -1.59 -0.36 0.00 0.00 175.35 174.50 5paz s LYS 107 N -0.42 0.94 0.62 4.03 -2.85 -1.26 -5.16 119.74 115.63 5paz s LYS 107 Ca 0.56 -0.40 -0.18 0.00 -1.00 0.00 0.00 55.97 54.94 5paz s LYS 107 Cb -0.38 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 35.75 5paz s LYS 107 CO 0.41 -0.42 1.03 -2.30 0.10 0.00 0.00 175.35 174.17 5paz n PRO 108 N -0.31 0.92 -0.36 1.78 -0.02 -1.26 -4.73 135.00 131.02 5paz n PRO 108 Ca -0.08 0.36 -0.03 0.00 -2.02 0.00 0.00 63.50 61.73 5paz n PRO 108 Cb 0.62 -2.24 0.10 0.00 -0.02 0.00 0.00 33.50 31.96 5paz n PRO 108 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 5paz h LYS 109 N 0.46 1.29 -0.48 -0.52 1.63 -1.99 -1.12 116.57 115.82 5paz h LYS 109 Ca -0.49 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.15 5paz h LYS 109 Cb 1.36 -0.29 -0.02 0.00 -0.60 0.00 0.00 32.23 32.68 5paz h LYS 109 CO 0.51 0.86 0.02 0.97 -3.45 0.00 0.00 179.45 178.36 5paz h ILE 110 N 1.32 1.24 -0.20 2.00 6.09 -1.89 -1.27 117.51 124.79 5paz h ILE 110 Ca 0.35 -0.97 -0.02 0.00 -1.37 0.00 0.00 64.86 62.85 5paz h ILE 110 Cb -0.13 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 38.00 5paz h ILE 110 CO -0.07 0.34 0.05 0.58 -3.07 0.00 0.00 178.15 175.98 5paz h VAL 111 N 0.74 1.20 -1.00 2.19 2.07 -1.66 -2.46 116.25 117.34 5paz h VAL 111 Ca 0.15 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.09 5paz h VAL 111 Cb 0.43 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 5paz h VAL 111 CO 0.02 0.20 0.64 -0.61 0.02 0.00 0.00 177.57 177.84 5paz h GLN 112 N 0.15 1.12 -0.48 1.57 5.75 -0.79 -0.39 115.11 122.03 5paz h GLN 112 Ca 0.06 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 5paz h GLN 112 Cb 0.26 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 5paz h GLN 112 CO -0.00 0.74 0.02 0.93 -2.65 0.00 0.00 178.83 177.87 5paz h GLU 113 N 1.15 0.84 -0.51 1.69 5.08 -1.08 -1.26 114.58 120.50 5paz h GLU 113 Ca 0.44 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 5paz h GLU 113 Cb 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 5paz h GLU 113 CO -0.18 0.87 -0.16 0.00 -1.00 0.00 0.00 179.01 178.54 5paz h ARG 114 N 0.70 1.00 -0.66 2.33 3.08 -0.93 -2.02 114.38 117.89 5paz h ARG 114 Ca 0.14 -0.40 0.03 0.00 0.07 0.00 0.00 59.98 59.82 5paz h ARG 114 Cb 0.48 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 5paz h ARG 114 CO 0.02 1.08 0.40 1.25 -1.07 0.00 0.00 179.97 181.66 5paz h LEU 115 N 0.87 0.66 -1.06 3.04 5.85 -0.90 0.22 115.31 123.98 5paz h LEU 115 Ca 0.12 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 5paz h LEU 115 Cb 0.73 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 5paz h LEU 115 CO 0.06 0.45 0.03 -0.33 -0.34 0.00 0.00 178.44 178.31 5paz h GLU 116 N 0.79 0.70 -0.17 1.25 5.08 -1.08 -0.18 114.58 120.96 5paz h GLU 116 Ca 0.27 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 5paz h GLU 116 Cb 0.03 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 5paz h GLU 116 CO -0.11 0.69 -0.17 0.87 -1.00 0.00 0.00 179.01 179.30 5paz h LYS 117 N 0.66 0.42 -0.96 2.33 6.56 -0.60 -2.07 116.57 122.91 5paz h LYS 117 Ca 0.14 -0.22 0.03 0.00 -1.06 0.00 0.00 60.65 59.54 5paz h LYS 117 Cb 0.37 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.98 5paz h LYS 117 CO 0.01 0.78 0.63 -0.39 -2.06 0.00 0.00 179.45 178.42 5paz h VAL 118 N 0.07 1.18 -0.05 0.50 -1.51 -0.13 0.76 116.25 117.08 5paz h VAL 118 Ca 0.03 -0.42 -0.11 0.00 -1.23 0.00 0.00 66.70 64.97 5paz h VAL 118 Cb 0.70 -0.16 -0.01 0.00 -2.13 0.00 0.00 31.29 29.69 5paz h VAL 118 CO 0.04 0.22 -0.46 0.40 -1.23 0.00 0.00 177.57 176.55 5paz h ILE 119 N 1.23 1.33 0.00 7.19 2.04 -0.98 -2.92 117.51 125.39 5paz h ILE 119 Ca 0.37 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.63 5paz h ILE 119 Cb -0.03 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 5paz h ILE 119 CO -0.11 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.51 5paz n ALA 120 N -2.46 0.00 -1.79 1.87 0.00 -0.78 -4.09 120.51 113.25 5paz n ALA 120 Ca -0.02 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 5paz n ALA 120 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 5paz n ALA 120 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 5paz n SER 121 N -1.94 6.66 0.00 0.00 7.64 0.26 -3.16 113.62 123.07 5paz n SER 121 Ca 0.00 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.99 5paz n SER 121 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 5paz n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5paz n ALA 122 N 3.78 0.00 1.83 -0.43 0.00 -1.11 -4.56 120.51 120.02 5paz n ALA 122 Ca 0.60 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.20 5paz n ALA 122 Cb 0.30 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.56 5paz n ALA 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67