#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilu s GLU 2 N 0.00 4.18 -1.57 0.00 2.12 -1.26 -4.08 118.70 118.10 1ilu s GLU 2 Ca 0.00 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.94 1ilu s GLU 2 Cb 0.00 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1ilu s GLU 2 CO 0.00 -0.29 0.00 0.00 -0.54 0.00 0.00 175.26 174.43 1ilu s SER 4 N -2.23 -0.41 0.09 0.00 1.04 -1.26 -1.61 113.70 109.32 1ilu s SER 4 Ca 0.00 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.78 1ilu s SER 4 Cb 0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1ilu s SER 4 CO 0.00 -0.58 -0.10 0.54 0.98 0.00 0.00 173.24 174.08 1ilu s VAL 5 N -1.62 0.93 -0.09 5.02 0.11 -0.02 -0.25 120.40 124.48 1ilu s VAL 5 Ca -0.10 -1.62 0.03 0.00 -2.93 0.00 0.00 61.98 57.35 1ilu s VAL 5 Cb -0.02 -1.34 0.01 0.00 -1.53 0.00 0.00 36.38 33.50 1ilu s VAL 5 CO 0.04 -0.55 -0.17 -1.81 -3.33 0.00 0.00 175.10 169.28 1ilu s ASP 6 N -2.42 2.42 -0.01 3.54 1.11 -1.26 -1.19 116.67 118.87 1ilu s ASP 6 Ca 0.05 -0.43 0.02 0.00 0.18 0.00 0.00 52.55 52.37 1ilu s ASP 6 Cb -0.03 -1.11 -0.00 0.00 1.07 0.00 0.00 42.92 42.85 1ilu s ASP 6 CO 0.00 0.07 -0.05 -0.51 1.18 0.00 0.00 175.17 175.85 1ilu s ILE 7 N 0.68 0.44 -0.09 0.77 2.07 -0.43 -4.97 121.20 119.67 1ilu s ILE 7 Ca -0.13 -0.23 -0.02 0.00 -1.41 0.00 0.00 60.65 58.86 1ilu s ILE 7 Cb -0.16 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 1ilu s ILE 7 CO 0.03 0.13 0.00 -1.10 -1.91 0.00 0.00 174.94 172.10 1ilu s GLN 8 N -0.05 3.04 -0.19 3.50 -0.21 -1.26 -1.34 119.66 123.15 1ilu s GLN 8 Ca 0.01 -0.41 0.01 0.00 0.02 0.00 0.00 55.36 55.00 1ilu s GLN 8 Cb -0.03 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.20 1ilu s GLN 8 CO -0.00 0.67 -0.14 0.20 -2.12 0.00 0.00 175.29 173.90 1ilu s GLY 9 N -0.80 1.35 0.28 3.09 0.00 -0.38 -1.81 107.32 109.04 1ilu s GLY 9 Ca 0.12 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1ilu s GLY 9 CO 0.02 0.51 0.38 1.16 0.00 0.00 0.00 173.10 175.17 1ilu n ASN 10 N 4.64 0.99 0.00 1.64 0.23 -0.90 -3.88 115.26 117.98 1ilu n ASN 10 Ca -0.17 -1.72 0.11 0.00 -0.53 0.00 0.00 54.58 52.27 1ilu n ASN 10 Cb 0.48 -0.20 0.57 0.00 -2.08 0.00 0.00 39.78 38.54 1ilu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ilu n ASP 11 N -2.69 0.00 -1.68 0.53 9.92 -1.25 -2.50 116.55 118.88 1ilu n ASP 11 Ca 0.08 0.09 0.08 0.00 -0.53 0.00 0.00 54.79 54.50 1ilu n ASP 11 Cb 0.28 -0.34 0.38 0.00 -0.64 0.00 0.00 41.12 40.80 1ilu n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ilu n GLN 12 N -1.34 4.44 -4.06 -1.24 3.00 -1.26 -4.94 117.38 111.97 1ilu n GLN 12 Ca 0.10 -3.08 -0.40 0.00 -0.01 0.00 0.00 57.00 53.61 1ilu n GLN 12 Cb 0.21 -2.15 0.01 0.00 0.00 0.00 0.00 30.24 28.30 1ilu n GLN 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ilu n MET 13 N 0.49 -0.37 -4.89 -1.09 0.00 -1.04 -5.00 117.12 105.22 1ilu n MET 13 Ca 0.26 -0.01 -0.32 0.00 0.00 0.00 0.00 57.70 57.63 1ilu n MET 13 Cb 1.11 -2.14 -0.16 0.00 0.00 0.00 0.00 33.22 32.03 1ilu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ilu s GLN 14 N -7.17 3.13 0.39 3.17 -0.21 -1.26 -4.44 119.66 113.27 1ilu s GLN 14 Ca 0.39 -0.82 -0.18 0.00 0.02 0.00 0.00 55.36 54.77 1ilu s GLN 14 Cb -0.22 -2.45 -0.10 0.00 1.00 0.00 0.00 33.01 31.25 1ilu s GLN 14 CO 0.86 0.11 0.86 -0.06 -2.12 0.00 0.00 175.29 174.94 1ilu s PHE 15 N 0.55 3.35 -1.21 0.91 0.08 -1.26 -2.11 117.98 118.29 1ilu s PHE 15 Ca -0.12 1.43 0.25 0.00 0.12 0.00 0.00 56.93 58.61 1ilu s PHE 15 Cb -0.17 -2.71 1.19 0.00 -0.57 0.00 0.00 43.02 40.76 1ilu s PHE 15 CO 0.04 -0.04 1.84 0.27 -0.10 0.00 0.00 175.22 177.23 1ilu n ASN 16 N -0.60 0.00 -3.99 1.36 6.94 -0.75 -4.80 115.26 113.41 1ilu n ASN 16 Ca 0.05 0.21 -0.09 0.00 -0.02 0.00 0.00 54.58 54.74 1ilu n ASN 16 Cb 0.54 -0.39 -0.11 0.00 -2.36 0.00 0.00 39.78 37.46 1ilu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ilu s THR 17 N -2.79 0.13 -0.04 5.53 -1.32 -1.26 -5.03 115.64 110.87 1ilu s THR 17 Ca 0.18 -1.11 0.06 0.00 -1.21 0.00 0.00 61.69 59.61 1ilu s THR 17 Cb 0.17 -0.60 0.09 0.00 -1.51 0.00 0.00 72.50 70.65 1ilu s THR 17 CO 0.43 -0.61 0.96 -0.46 -2.21 0.00 0.00 174.62 172.72 1ilu n ASN 18 N 1.20 1.46 -3.63 8.08 0.23 -1.26 -4.90 115.26 116.43 1ilu n ASN 18 Ca -0.21 -2.16 -0.11 0.00 -0.53 0.00 0.00 54.58 51.57 1ilu n ASN 18 Cb 0.57 -0.16 -0.11 0.00 -2.08 0.00 0.00 39.78 38.00 1ilu n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ilu s ALA 19 N -1.25 -0.91 -0.05 -2.53 0.00 -1.26 -1.70 121.76 114.06 1ilu s ALA 19 Ca 0.10 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.32 1ilu s ALA 19 Cb 0.09 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1ilu s ALA 19 CO 0.01 -0.77 -0.20 0.42 0.00 0.00 0.00 175.76 175.22 1ilu s ILE 20 N 2.53 2.51 -0.02 0.00 1.01 -0.66 -4.99 121.20 121.58 1ilu s ILE 20 Ca 0.01 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.82 1ilu s ILE 20 Cb -0.12 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1ilu s ILE 20 CO -0.11 0.57 -0.25 -0.89 0.00 0.00 0.00 174.94 174.27 1ilu s THR 21 N -0.41 2.18 -0.15 2.92 2.01 -1.26 -0.55 115.64 120.38 1ilu s THR 21 Ca 0.04 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.98 1ilu s THR 21 Cb -0.12 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.63 1ilu s THR 21 CO 0.02 0.57 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 1ilu s VAL 22 N -0.64 2.21 -0.09 3.82 1.01 0.67 -4.95 120.40 122.44 1ilu s VAL 22 Ca 0.10 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1ilu s VAL 22 Cb -0.10 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1ilu s VAL 22 CO -0.01 0.54 1.02 -0.62 0.00 0.00 0.00 175.10 176.03 1ilu s ASP 23 N 0.89 7.25 0.00 3.32 2.15 -1.26 -0.30 116.67 128.71 1ilu s ASP 23 Ca -0.05 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.50 1ilu s ASP 23 Cb -0.15 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1ilu s ASP 23 CO -0.03 -0.43 0.77 0.29 -0.17 0.00 0.00 175.17 175.60 1ilu n LYS 24 N 4.86 0.00 0.00 4.34 5.02 -0.46 -1.07 118.16 130.84 1ilu n LYS 24 Ca 0.09 0.30 0.14 0.00 -2.02 0.00 0.00 58.31 56.81 1ilu n LYS 24 Cb 0.49 -1.62 0.64 0.00 -0.02 0.00 0.00 35.03 34.53 1ilu n LYS 24 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ilu n SER 25 N -1.27 0.00 -4.71 4.39 7.64 -1.26 -4.68 113.62 113.72 1ilu n SER 25 Ca 0.00 0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.78 1ilu n SER 25 Cb 0.12 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 1ilu n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ilu n LYS 27 N 3.80 0.61 -4.16 0.00 4.01 -1.26 -4.72 118.16 116.43 1ilu n LYS 27 Ca 0.04 0.18 -0.16 0.00 -0.51 0.00 0.00 58.31 57.86 1ilu n LYS 27 Cb 0.51 -1.82 -0.14 0.00 -0.51 0.00 0.00 35.03 33.07 1ilu n LYS 27 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1ilu s GLN 28 N -3.14 0.44 -0.02 1.97 -1.52 -1.26 -1.88 119.66 114.24 1ilu s GLN 28 Ca -0.02 -0.21 0.06 0.00 -1.95 0.00 0.00 55.36 53.25 1ilu s GLN 28 Cb 0.09 -0.42 -0.02 0.00 -0.22 0.00 0.00 33.01 32.45 1ilu s GLN 28 CO 0.80 0.11 -0.22 0.12 -0.25 0.00 0.00 175.29 175.86 1ilu s PHE 29 N -0.15 1.99 -0.08 0.91 5.36 -0.05 -4.88 117.98 121.08 1ilu s PHE 29 Ca 0.02 -0.42 0.05 0.00 -0.96 0.00 0.00 56.93 55.62 1ilu s PHE 29 Cb -0.02 -1.29 -0.01 0.00 -0.34 0.00 0.00 43.02 41.36 1ilu s PHE 29 CO -0.00 -0.06 -0.23 0.99 -1.46 0.00 0.00 175.22 174.45 1ilu s THR 30 N -0.43 2.19 -0.18 0.12 2.01 -0.64 -0.85 115.64 117.86 1ilu s THR 30 Ca 0.06 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 1ilu s THR 30 Cb -0.09 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1ilu s THR 30 CO -0.00 0.56 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.79 1ilu s VAL 31 N 0.03 3.98 -0.30 3.82 1.01 -0.24 -0.84 120.40 127.86 1ilu s VAL 31 Ca -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1ilu s VAL 31 Cb -0.15 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.48 1ilu s VAL 31 CO 0.06 0.45 0.02 0.20 0.00 0.00 0.00 175.10 175.83 1ilu s ASN 32 N 0.76 4.92 -0.20 3.32 0.01 -0.33 -2.15 114.94 121.28 1ilu s ASN 32 Ca -0.00 -1.10 -0.08 0.00 -0.71 0.00 0.00 52.86 50.96 1ilu s ASN 32 Cb -0.14 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 1ilu s ASN 32 CO 0.02 -0.24 0.08 -0.22 -1.51 0.00 0.00 177.10 175.23 1ilu s LEU 33 N 1.33 3.87 0.31 0.60 2.96 -0.16 -1.32 118.68 126.28 1ilu s LEU 33 Ca -0.03 0.08 0.08 0.00 -0.22 0.00 0.00 54.13 54.04 1ilu s LEU 33 Cb -0.19 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.45 1ilu s LEU 33 CO -0.00 0.14 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.16 1ilu s SER 34 N 0.56 3.20 -0.41 3.68 1.04 -0.45 -1.01 113.70 120.31 1ilu s SER 34 Ca 0.04 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.28 1ilu s SER 34 Cb -0.13 -0.25 0.13 0.00 0.10 0.00 0.00 66.02 65.87 1ilu s SER 34 CO 0.01 -0.30 0.21 -2.28 0.98 0.00 0.00 173.24 171.86 1ilu s HIS 35 N -2.84 1.94 0.32 5.02 2.46 -1.12 -1.25 115.29 119.82 1ilu s HIS 35 Ca 0.31 -2.30 -0.27 0.00 0.47 0.00 0.00 55.06 53.27 1ilu s HIS 35 Cb 0.04 -1.85 -0.13 0.00 -0.13 0.00 0.00 32.58 30.50 1ilu s HIS 35 CO 0.14 -0.80 1.08 -2.30 -2.47 0.00 0.00 174.74 170.39 1ilu n PRO 36 N 3.80 1.56 0.00 2.88 -0.02 -1.25 -0.89 135.00 141.07 1ilu n PRO 36 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1ilu n PRO 36 Cb 0.36 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1ilu n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ilu n GLY 37 N 1.09 0.95 2.64 -1.23 0.00 -1.26 -3.83 105.19 103.55 1ilu n GLY 37 Ca 0.08 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 1ilu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ilu n ASN 38 N 2.04 -0.03 -3.83 1.61 4.13 -1.26 -4.32 115.26 113.60 1ilu n ASN 38 Ca 0.00 -2.71 -0.19 0.00 1.68 0.00 0.00 54.58 53.35 1ilu n ASN 38 Cb 0.00 0.16 -0.17 0.00 -1.54 0.00 0.00 39.78 38.24 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ilu s LEU 39 N -3.03 1.05 0.78 3.41 1.43 -1.26 -5.08 118.68 115.98 1ilu s LEU 39 Ca 0.26 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 1ilu s LEU 39 Cb 0.42 -0.34 0.05 0.00 0.03 0.00 0.00 46.19 46.36 1ilu s LEU 39 CO -0.02 -0.11 1.15 -0.81 0.23 0.00 0.00 176.35 176.78 1ilu n PRO 40 N 4.37 0.35 -0.19 1.29 -0.04 -1.26 -3.57 135.00 135.95 1ilu n PRO 40 Ca -0.21 0.19 0.20 0.00 -0.04 0.00 0.00 63.50 63.64 1ilu n PRO 40 Cb 0.50 -2.39 0.57 0.00 -0.04 0.00 0.00 33.50 32.14 1ilu n PRO 40 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ilu h LYS 41 N -0.61 0.28 0.00 0.54 3.64 -1.88 0.14 116.57 118.67 1ilu h LYS 41 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1ilu h LYS 41 Cb 1.31 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1ilu h LYS 41 CO 0.47 0.19 0.00 -2.95 -2.27 0.00 0.00 179.45 174.88 1ilu h ASN 42 N 0.29 0.00 0.00 4.20 -1.07 -1.96 0.78 115.58 117.83 1ilu h ASN 42 Ca 0.42 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.46 1ilu h ASN 42 Cb 1.21 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.40 1ilu h ASN 42 CO -0.12 0.00 -2.19 0.52 0.07 0.00 0.00 177.43 175.71 1ilu n VAL 43 N -2.52 1.19 -2.53 6.14 0.31 0.35 -4.84 118.33 116.43 1ilu n VAL 43 Ca 0.02 -0.38 -0.04 0.00 -0.01 0.00 0.00 64.34 63.93 1ilu n VAL 43 Cb 0.29 -1.49 0.05 0.00 -0.91 0.00 0.00 33.84 31.78 1ilu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1ilu n MET 44 N -3.51 1.85 -2.09 5.55 0.00 -0.43 -5.04 117.12 113.46 1ilu n MET 44 Ca -0.39 -3.39 -0.38 0.00 -0.00 0.00 0.00 57.70 53.53 1ilu n MET 44 Cb 0.85 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.58 1ilu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ilu s GLY 45 N -3.44 2.87 -0.02 -5.12 0.00 0.27 -4.85 107.32 97.04 1ilu s GLY 45 Ca 0.34 1.14 0.01 0.00 0.00 0.00 0.00 44.72 46.21 1ilu s GLY 45 CO -0.05 1.67 -0.05 0.30 0.00 0.00 0.00 173.10 174.97 1ilu s HIS 46 N -1.37 0.54 0.36 1.90 3.76 -0.72 -4.72 115.29 115.04 1ilu s HIS 46 Ca 0.61 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.46 1ilu s HIS 46 Cb -0.35 -0.41 -0.06 0.00 1.11 0.00 0.00 32.58 32.87 1ilu s HIS 46 CO 0.44 -0.06 0.05 0.54 -0.85 0.00 0.00 174.74 174.86 1ilu s ASN 47 N 0.21 2.83 -0.13 1.40 2.20 -1.26 -0.72 114.94 119.46 1ilu s ASN 47 Ca -0.02 -1.41 0.03 0.00 -0.94 0.00 0.00 52.86 50.52 1ilu s ASN 47 Cb -0.06 -0.10 0.01 0.00 -2.00 0.00 0.00 41.25 39.10 1ilu s ASN 47 CO -0.00 -0.60 -0.21 0.86 -2.94 0.00 0.00 177.10 174.21 1ilu s TRP 48 N -3.14 2.53 0.06 1.54 -0.00 -1.26 -4.22 118.94 114.45 1ilu s TRP 48 Ca 0.34 -1.23 0.05 0.00 -0.00 0.00 0.00 56.10 55.27 1ilu s TRP 48 Cb 0.08 -1.73 -0.03 0.00 -0.00 0.00 0.00 33.47 31.80 1ilu s TRP 48 CO 0.16 -0.56 -0.15 0.08 -0.00 0.00 0.00 176.95 176.48 1ilu s VAL 49 N 0.76 1.15 -0.04 5.86 1.01 0.31 -0.94 120.40 128.51 1ilu s VAL 49 Ca -0.09 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.71 1ilu s VAL 49 Cb -0.16 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1ilu s VAL 49 CO -0.00 -0.14 -0.16 -0.22 0.00 0.00 0.00 175.10 174.58 1ilu s LEU 50 N -1.56 1.89 0.00 3.92 2.96 -0.46 -0.97 118.68 124.47 1ilu s LEU 50 Ca -0.00 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 1ilu s LEU 50 Cb -0.09 -0.94 0.05 0.00 0.50 0.00 0.00 46.19 45.71 1ilu s LEU 50 CO 0.02 0.14 0.69 -1.54 -1.32 0.00 0.00 176.35 174.34 1ilu n SER 51 N 3.21 -2.01 -4.80 3.68 3.41 -0.90 -1.62 113.62 114.59 1ilu n SER 51 Ca -0.18 -2.47 -0.32 0.00 -0.26 0.00 0.00 58.87 55.64 1ilu n SER 51 Cb 0.53 3.37 0.04 0.00 -0.26 0.00 0.00 64.21 67.89 1ilu n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ilu s THR 52 N -2.24 3.83 0.53 6.66 -4.23 -1.26 -1.54 115.64 117.38 1ilu s THR 52 Ca 0.15 0.72 0.24 0.00 -1.18 0.00 0.00 61.69 61.62 1ilu s THR 52 Cb -0.04 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.77 1ilu s THR 52 CO 0.12 -0.65 2.16 0.00 -0.54 0.00 0.00 174.62 175.71 1ilu h ALA 53 N -0.22 1.62 0.00 3.99 0.00 -1.13 -0.98 119.26 122.54 1ilu h ALA 53 Ca -0.45 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1ilu h ALA 53 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1ilu h ALA 53 CO 0.56 0.06 -0.57 0.00 0.00 0.00 0.00 179.25 179.31 1ilu h ALA 54 N 1.95 0.85 -0.06 0.00 0.00 -1.92 -3.25 119.26 116.83 1ilu h ALA 54 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ilu h ALA 54 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ilu h ALA 54 CO 0.01 0.71 0.00 -0.25 0.00 0.00 0.00 179.25 179.71 1ilu n ASP 55 N -3.55 1.84 -0.01 0.00 8.00 -0.38 -4.57 116.55 117.88 1ilu n ASP 55 Ca -0.00 -1.63 -0.13 0.00 0.71 0.00 0.00 54.79 53.73 1ilu n ASP 55 Cb 0.64 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.61 1ilu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ilu h MET 56 N 2.77 -0.00 -0.31 -1.24 4.05 -1.56 -2.29 114.93 116.35 1ilu h MET 56 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1ilu h MET 56 Cb 0.59 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 1ilu h MET 56 CO 0.00 0.48 0.02 0.37 0.23 0.00 0.00 176.91 178.01 1ilu h GLN 57 N -0.48 0.46 0.26 0.39 5.75 -1.82 -1.39 115.11 118.28 1ilu h GLN 57 Ca -0.00 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1ilu h GLN 57 Cb 0.48 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1ilu h GLN 57 CO 0.00 0.47 -0.12 0.78 -2.65 0.00 0.00 178.83 177.31 1ilu h GLY 58 N 0.75 -0.36 0.80 2.39 0.00 -1.81 0.36 103.07 105.20 1ilu h GLY 58 Ca 0.10 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.58 1ilu h GLY 58 CO 0.01 -0.13 -0.06 -2.08 0.00 0.00 0.00 176.54 174.27 1ilu h VAL 59 N -0.49 0.83 0.14 4.60 2.07 -1.19 -0.02 116.25 122.20 1ilu h VAL 59 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ilu h VAL 59 Cb 0.37 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1ilu h VAL 59 CO 0.06 0.00 -0.40 0.58 0.02 0.00 0.00 177.57 177.82 1ilu h VAL 60 N -0.09 0.18 -0.09 2.57 2.07 -1.25 0.11 116.25 119.75 1ilu h VAL 60 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1ilu h VAL 60 Cb 0.14 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 1ilu h VAL 60 CO -0.09 0.00 -0.34 0.74 0.02 0.00 0.00 177.57 177.90 1ilu h THR 61 N -0.65 0.26 -0.67 2.57 2.02 -0.73 -1.29 112.91 114.41 1ilu h THR 61 Ca 0.02 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 1ilu h THR 61 Cb 0.67 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1ilu h THR 61 CO -0.22 0.00 0.11 0.44 0.37 0.00 0.00 175.52 176.22 1ilu h ASP 62 N -0.44 1.05 -0.83 4.18 3.32 -0.92 -2.80 116.42 119.99 1ilu h ASP 62 Ca 0.08 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1ilu h ASP 62 Cb 0.57 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1ilu h ASP 62 CO -0.34 1.04 0.54 1.23 -1.72 0.00 0.00 179.24 180.00 1ilu h GLY 63 N 1.02 1.18 0.78 2.75 0.00 -0.63 -2.02 103.07 106.16 1ilu h GLY 63 Ca 0.20 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1ilu h GLY 63 CO 0.01 0.38 0.57 1.98 0.00 0.00 0.00 176.54 179.48 1ilu h MET 64 N 1.07 1.03 0.00 4.80 1.85 -0.97 -1.48 114.93 121.23 1ilu h MET 64 Ca 0.32 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.35 1ilu h MET 64 Cb -0.06 -0.23 0.00 0.00 0.43 0.00 0.00 31.60 31.74 1ilu h MET 64 CO -0.09 0.68 0.00 0.00 -0.40 0.00 0.00 176.91 177.10 1ilu h ALA 65 N 1.40 1.00 0.00 0.39 0.00 -1.28 -3.22 119.26 117.56 1ilu h ALA 65 Ca 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1ilu h ALA 65 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ilu h ALA 65 CO -0.16 0.00 -0.52 0.77 0.00 0.00 0.00 179.25 179.34 1ilu h SER 66 N 0.00 0.00 -4.46 0.00 0.02 -0.62 -3.50 113.55 104.99 1ilu h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ilu h SER 66 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1ilu h SER 66 CO 0.00 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 1ilu n GLY 67 N 0.53 -0.42 0.36 -3.77 0.00 -1.21 -4.34 105.19 96.35 1ilu n GLY 67 Ca -0.00 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.33 1ilu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ilu h LEU 68 N 0.00 0.96 -1.80 0.99 5.85 -1.91 0.14 115.31 119.55 1ilu h LEU 68 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1ilu h LEU 68 Cb 0.00 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1ilu h LEU 68 CO 0.00 0.68 -0.10 -2.24 -0.34 0.00 0.00 178.44 176.44 1ilu h ASP 69 N 1.13 0.00 -0.24 1.25 2.03 -2.01 -0.27 116.42 118.31 1ilu h ASP 69 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1ilu h ASP 69 Cb -0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 1ilu h ASP 69 CO -0.09 0.10 0.00 0.29 -1.03 0.00 0.00 179.24 178.52 1ilu n LYS 70 N -4.41 1.65 -1.99 4.15 4.76 -0.64 -4.86 118.16 116.81 1ilu n LYS 70 Ca -0.03 -0.99 -0.20 0.00 -2.87 0.00 0.00 58.31 54.22 1ilu n LYS 70 Cb 0.18 -1.28 -0.05 0.00 -1.84 0.00 0.00 35.03 32.04 1ilu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ilu n ASP 71 N 0.27 -5.54 -3.49 4.39 9.92 -0.11 -3.28 116.55 118.72 1ilu n ASP 71 Ca 0.12 0.22 -0.21 0.00 -0.53 0.00 0.00 54.79 54.39 1ilu n ASP 71 Cb 0.26 -4.67 0.06 0.00 -0.64 0.00 0.00 41.12 36.13 1ilu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ilu n TYR 72 N -3.26 -2.16 -3.80 1.24 4.01 -0.06 -4.81 117.16 108.33 1ilu n TYR 72 Ca -0.22 0.74 -0.13 0.00 -0.16 0.00 0.00 57.90 58.14 1ilu n TYR 72 Cb 0.67 -4.07 -0.11 0.00 -0.31 0.00 0.00 39.34 35.52 1ilu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ilu s LEU 73 N -6.07 1.11 -0.05 7.72 1.43 -1.20 -4.34 118.68 117.28 1ilu s LEU 73 Ca 0.33 0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 53.45 1ilu s LEU 73 Cb -0.07 0.88 -0.04 0.00 0.03 0.00 0.00 46.19 46.98 1ilu s LEU 73 CO 0.79 -0.19 1.41 -0.75 0.23 0.00 0.00 176.35 177.84 1ilu s LYS 74 N -0.34 4.26 0.02 1.70 2.20 -1.26 -4.79 119.74 121.53 1ilu s LYS 74 Ca -0.04 1.93 -0.39 0.00 -0.36 0.00 0.00 55.97 57.10 1ilu s LYS 74 Cb -0.03 -3.69 -0.18 0.00 -1.51 0.00 0.00 37.83 32.41 1ilu s LYS 74 CO 0.01 -0.65 1.23 -2.30 -0.36 0.00 0.00 175.35 173.28 1ilu n PRO 75 N 5.95 0.55 -4.05 4.03 -0.02 -1.26 -1.82 135.00 138.39 1ilu n PRO 75 Ca 0.14 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 1ilu n PRO 75 Cb 0.44 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.14 1ilu n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ilu n ASP 76 N 2.14 -2.71 -4.64 2.55 2.03 -1.26 -4.87 116.55 109.79 1ilu n ASP 76 Ca 0.20 -0.94 -0.42 0.00 0.52 0.00 0.00 54.79 54.14 1ilu n ASP 76 Cb 0.13 -3.18 -0.03 0.00 -0.72 0.00 0.00 41.12 37.32 1ilu n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ilu s ASP 77 N -3.66 6.31 0.45 1.67 -1.08 -0.75 -4.88 116.67 114.72 1ilu s ASP 77 Ca 0.48 2.15 0.17 0.00 -0.52 0.00 0.00 52.55 54.83 1ilu s ASP 77 Cb -0.25 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 39.72 1ilu s ASP 77 CO 0.89 -1.24 1.97 0.28 0.52 0.00 0.00 175.17 177.59 1ilu h SER 78 N 11.17 0.00 1.05 -0.34 0.02 -1.90 -2.80 113.55 120.74 1ilu h SER 78 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1ilu h SER 78 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1ilu h SER 78 CO 0.96 0.21 0.00 0.03 -1.14 0.00 0.00 176.83 176.89 1ilu h ARG 79 N 0.00 0.00 -6.14 3.45 3.08 -1.97 -3.43 114.38 109.37 1ilu h ARG 79 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1ilu h ARG 79 Cb 0.40 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.36 1ilu h ARG 79 CO 0.03 0.00 0.62 0.08 -1.07 0.00 0.00 179.97 179.63 1ilu s VAL 80 N -3.27 4.54 -0.09 2.04 1.01 -1.06 -4.47 120.40 119.10 1ilu s VAL 80 Ca 0.06 1.11 -0.10 0.00 0.00 0.00 0.00 61.98 63.05 1ilu s VAL 80 Cb 0.10 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 1ilu s VAL 80 CO 0.48 -0.63 0.36 0.40 0.00 0.00 0.00 175.10 175.72 1ilu h ILE 81 N 5.90 0.42 -4.07 2.22 2.04 -1.58 -3.48 117.51 118.96 1ilu h ILE 81 Ca -0.23 -1.17 -0.22 0.00 1.00 0.00 0.00 64.86 64.23 1ilu h ILE 81 Cb 1.08 0.77 -0.15 0.00 -0.74 0.00 0.00 36.82 37.78 1ilu h ILE 81 CO 1.00 0.13 -0.66 0.00 0.00 0.00 0.00 178.15 178.62 1ilu s ALA 82 N -2.90 1.02 0.06 1.87 0.00 -1.24 -5.01 121.76 115.56 1ilu s ALA 82 Ca -0.06 -1.47 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 1ilu s ALA 82 Cb -0.00 0.58 0.09 0.00 0.00 0.00 0.00 23.12 23.78 1ilu s ALA 82 CO 0.22 -0.38 0.86 -3.38 0.00 0.00 0.00 175.76 173.09 1ilu s HIS 83 N -3.83 -0.32 0.55 0.00 -3.43 -1.26 -1.35 115.29 105.65 1ilu s HIS 83 Ca 0.20 0.13 0.05 0.00 -0.80 0.00 0.00 55.06 54.64 1ilu s HIS 83 Cb 0.07 0.57 0.04 0.00 -1.43 0.00 0.00 32.58 31.82 1ilu s HIS 83 CO 0.00 -0.66 0.37 0.95 -2.00 0.00 0.00 174.74 173.40 1ilu s THR 84 N -3.26 1.52 0.75 -5.38 -4.23 -0.11 -4.77 115.64 100.14 1ilu s THR 84 Ca 0.06 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 58.91 1ilu s THR 84 Cb -0.01 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.80 1ilu s THR 84 CO -0.07 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.56 1ilu s LYS 85 N -4.26 2.53 -0.14 3.99 -0.14 -1.26 -4.63 119.74 115.83 1ilu s LYS 85 Ca 0.30 0.66 -0.27 0.00 -1.36 0.00 0.00 55.97 55.30 1ilu s LYS 85 Cb -0.02 -1.97 -0.02 0.00 -1.68 0.00 0.00 37.83 34.15 1ilu s LYS 85 CO 0.19 -1.32 0.88 -1.17 -0.76 0.00 0.00 175.35 173.17 1ilu s LEU 86 N -5.60 4.21 0.18 3.17 2.96 -1.26 -4.37 118.68 117.97 1ilu s LEU 86 Ca 0.59 1.30 0.11 0.00 -0.22 0.00 0.00 54.13 55.91 1ilu s LEU 86 Cb -0.13 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1ilu s LEU 86 CO 0.54 -0.39 -0.23 0.27 -1.32 0.00 0.00 176.35 175.22 1ilu s ILE 87 N 1.98 2.44 0.06 6.68 -4.36 0.10 -4.87 121.20 123.23 1ilu s ILE 87 Ca 0.42 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1ilu s ILE 87 Cb -0.17 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.38 1ilu s ILE 87 CO 0.15 -0.09 0.07 0.61 0.24 0.00 0.00 174.94 175.92 1ilu n GLY 88 N 0.33 2.34 3.68 6.27 0.00 -1.26 -1.75 105.19 114.79 1ilu n GLY 88 Ca -0.13 -2.16 -0.45 0.00 0.00 0.00 0.00 46.02 43.29 1ilu n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ilu n SER 89 N -2.58 2.92 0.00 1.61 7.64 -1.23 -2.70 113.62 119.28 1ilu n SER 89 Ca 0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1ilu n SER 89 Cb 0.06 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1ilu n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ilu n GLY 90 N 2.38 0.53 4.03 0.23 0.00 -0.07 -5.01 105.19 107.28 1ilu n GLY 90 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1ilu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ilu s GLU 91 N -0.48 2.30 -0.18 1.61 2.02 -1.10 -4.96 118.70 117.92 1ilu s GLU 91 Ca 0.00 -1.59 -0.28 0.00 0.02 0.00 0.00 54.97 53.12 1ilu s GLU 91 Cb 0.00 -2.64 0.10 0.00 0.10 0.00 0.00 34.13 31.69 1ilu s GLU 91 CO 0.00 -0.86 0.86 -1.59 0.02 0.00 0.00 175.26 173.69 1ilu s LYS 92 N -4.68 0.75 0.25 1.61 -2.85 -1.26 -2.79 119.74 110.77 1ilu s LYS 92 Ca 0.62 0.44 -0.01 0.00 -1.00 0.00 0.00 55.97 56.02 1ilu s LYS 92 Cb -0.06 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 1ilu s LYS 92 CO 0.39 -0.18 0.25 0.34 0.10 0.00 0.00 175.35 176.25 1ilu s ASP 93 N -0.55 0.56 0.06 0.03 2.15 -0.18 -4.98 116.67 113.76 1ilu s ASP 93 Ca -0.03 -1.43 -0.11 0.00 0.43 0.00 0.00 52.55 51.41 1ilu s ASP 93 Cb -0.02 0.48 0.01 0.00 -0.30 0.00 0.00 42.92 43.09 1ilu s ASP 93 CO 0.02 -0.98 0.25 -0.44 -0.17 0.00 0.00 175.17 173.85 1ilu s SER 94 N -3.20 -0.02 -0.10 -0.34 0.01 -1.26 -0.99 113.70 107.81 1ilu s SER 94 Ca 0.36 -0.39 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 1ilu s SER 94 Cb 0.04 0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.65 1ilu s SER 94 CO 0.16 -0.66 0.24 0.54 0.41 0.00 0.00 173.24 173.94 1ilu s VAL 95 N -3.08 -0.01 -0.04 3.43 0.11 -0.91 -4.95 120.40 114.94 1ilu s VAL 95 Ca -0.01 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1ilu s VAL 95 Cb 0.01 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1ilu s VAL 95 CO -0.07 0.02 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.73 1ilu s THR 96 N 0.55 3.40 0.06 5.04 2.01 -1.26 -1.07 115.64 124.36 1ilu s THR 96 Ca -0.03 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 1ilu s THR 96 Cb -0.05 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1ilu s THR 96 CO -0.03 0.53 -0.04 0.72 -0.69 0.00 0.00 174.62 175.11 1ilu s PHE 97 N -0.84 0.62 -0.18 4.92 -0.12 -0.03 -4.93 117.98 117.43 1ilu s PHE 97 Ca 0.13 -0.99 -0.27 0.00 -0.05 0.00 0.00 56.93 55.76 1ilu s PHE 97 Cb -0.11 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 1ilu s PHE 97 CO 0.03 -0.30 0.91 -0.51 -0.05 0.00 0.00 175.22 175.30 1ilu s ASP 98 N -2.86 7.03 0.46 1.98 1.01 -1.26 -0.87 116.67 122.16 1ilu s ASP 98 Ca 0.07 1.27 0.18 0.00 0.71 0.00 0.00 52.55 54.78 1ilu s ASP 98 Cb 0.06 -2.49 1.10 0.00 1.01 0.00 0.00 42.92 42.60 1ilu s ASP 98 CO -0.08 -0.48 2.01 0.58 0.21 0.00 0.00 175.17 177.40 1ilu h VAL 99 N 5.26 1.00 -0.64 -1.27 2.07 -1.66 -2.78 116.25 118.22 1ilu h VAL 99 Ca -0.27 -0.63 0.19 0.00 0.82 0.00 0.00 66.70 66.81 1ilu h VAL 99 Cb 1.11 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1ilu h VAL 99 CO 0.88 0.17 0.60 0.77 0.02 0.00 0.00 177.57 180.01 1ilu h SER 100 N 0.00 0.00 0.49 0.57 4.64 -1.90 -0.15 113.55 117.20 1ilu h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ilu h SER 100 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ilu h SER 100 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1ilu n LYS 101 N -3.82 0.15 -4.20 4.77 5.02 -1.05 -4.81 118.16 114.22 1ilu n LYS 101 Ca 0.13 0.14 -0.31 0.00 -2.02 0.00 0.00 58.31 56.25 1ilu n LYS 101 Cb 0.84 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.27 1ilu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ilu s LEU 102 N -2.77 3.49 -0.02 -0.35 1.43 -0.07 -5.12 118.68 115.27 1ilu s LEU 102 Ca 0.14 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1ilu s LEU 102 Cb 0.12 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1ilu s LEU 102 CO 0.31 0.22 -0.05 -0.75 0.23 0.00 0.00 176.35 176.31 1ilu s LYS 103 N -1.99 2.68 0.21 1.70 2.20 -1.26 -5.07 119.74 118.22 1ilu s LYS 103 Ca 0.23 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1ilu s LYS 103 Cb -0.12 -2.58 -0.08 0.00 -1.51 0.00 0.00 37.83 33.54 1ilu s LYS 103 CO 0.15 0.63 1.14 -2.00 -0.36 0.00 0.00 175.35 174.92 1ilu s GLU 104 N -1.23 4.56 0.00 4.03 2.12 -1.26 -2.46 118.70 124.46 1ilu s GLU 104 Ca 0.16 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.31 1ilu s GLU 104 Cb -0.11 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1ilu s GLU 104 CO 0.06 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 1ilu n GLY 105 N 1.83 0.70 3.92 -1.50 0.00 -1.26 -5.01 105.19 103.86 1ilu n GLY 105 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1ilu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ilu s GLU 106 N -0.23 3.48 -0.22 1.61 2.12 -1.03 -5.07 118.70 119.35 1ilu s GLU 106 Ca 0.00 -0.37 -0.13 0.00 0.36 0.00 0.00 54.97 54.82 1ilu s GLU 106 Cb 0.00 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1ilu s GLU 106 CO 0.00 0.58 0.29 -0.65 -0.54 0.00 0.00 175.26 174.94 1ilu s GLN 107 N -2.55 4.12 -0.04 4.30 1.11 -1.26 -4.83 119.66 120.51 1ilu s GLN 107 Ca 0.36 -0.02 0.06 0.00 0.01 0.00 0.00 55.36 55.78 1ilu s GLN 107 Cb -0.13 -3.55 -0.01 0.00 -1.01 0.00 0.00 33.01 28.31 1ilu s GLN 107 CO 0.27 -0.01 -0.22 0.71 0.01 0.00 0.00 175.29 176.05 1ilu s TYR 108 N 1.25 2.11 0.16 0.91 2.02 -1.26 -0.58 117.35 121.97 1ilu s TYR 108 Ca 0.14 -0.52 0.11 0.00 -0.37 0.00 0.00 57.07 56.42 1ilu s TYR 108 Cb -0.14 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 1ilu s TYR 108 CO 0.07 -0.12 -0.22 -1.64 -1.57 0.00 0.00 175.55 172.06 1ilu s MET 109 N -0.30 1.58 -0.03 -0.62 -1.94 -0.59 -0.86 119.30 116.54 1ilu s MET 109 Ca 0.02 -1.38 0.04 0.00 -1.71 0.00 0.00 55.69 52.65 1ilu s MET 109 Cb -0.11 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.79 1ilu s MET 109 CO 0.01 0.43 -0.14 -1.54 -0.01 0.00 0.00 175.02 173.78 1ilu s SER 110 N -2.40 1.75 0.27 3.03 1.04 -0.60 -2.11 113.70 114.68 1ilu s SER 110 Ca 0.18 -0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.20 1ilu s SER 110 Cb -0.09 -0.43 0.01 0.00 0.10 0.00 0.00 66.02 65.60 1ilu s SER 110 CO 0.09 0.13 0.56 0.72 0.98 0.00 0.00 173.24 175.71 1ilu s PHE 111 N 0.03 0.28 -0.03 5.02 -0.71 -0.14 -0.95 117.98 121.48 1ilu s PHE 111 Ca -0.02 -0.68 -0.03 0.00 -1.04 0.00 0.00 56.93 55.16 1ilu s PHE 111 Cb -0.09 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 1ilu s PHE 111 CO 0.01 -1.11 0.16 0.00 -1.34 0.00 0.00 175.22 172.94 1ilu n THR 113 N 1.19 0.00 -1.68 0.00 -2.24 -1.26 -3.61 114.28 106.68 1ilu n THR 113 Ca -0.13 -0.22 -0.45 0.00 -2.27 0.00 0.00 64.05 60.98 1ilu n THR 113 Cb 0.53 1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 1ilu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ilu n PHE 114 N -0.76 2.39 -1.67 4.78 -0.00 -1.26 -4.47 117.46 116.47 1ilu n PHE 114 Ca 0.05 0.18 -0.56 0.00 -0.00 0.00 0.00 57.45 57.12 1ilu n PHE 114 Cb 0.30 -2.59 -0.07 0.00 -0.00 0.00 0.00 39.48 37.13 1ilu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ilu n PRO 115 N 3.87 1.10 0.00 -7.13 -0.02 -1.26 -1.66 135.00 129.91 1ilu n PRO 115 Ca 0.17 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1ilu n PRO 115 Cb 0.30 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1ilu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ilu n GLY 116 N 3.62 2.72 0.20 -1.23 0.00 -1.26 -4.89 105.19 104.35 1ilu n GLY 116 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 1ilu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ilu h HIS 117 N 0.00 0.47 -0.17 1.61 3.86 -1.61 -3.24 115.15 116.06 1ilu h HIS 117 Ca 0.00 -0.15 0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1ilu h HIS 117 Cb 0.00 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1ilu h HIS 117 CO 0.00 0.80 0.20 0.66 0.86 0.00 0.00 177.93 180.46 1ilu h SER 118 N 0.30 0.00 0.18 2.45 4.64 -1.75 0.12 113.55 119.49 1ilu h SER 118 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1ilu h SER 118 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1ilu h SER 118 CO 0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.97 1ilu h ALA 119 N 1.75 1.45 0.00 5.18 0.00 -1.92 -3.18 119.26 122.55 1ilu h ALA 119 Ca 0.08 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1ilu h ALA 119 Cb 0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ilu h ALA 119 CO -0.00 0.09 -1.57 1.28 0.00 0.00 0.00 179.25 179.05 1ilu n LEU 120 N -3.83 2.23 -4.02 0.00 4.77 -0.69 -4.84 117.00 110.62 1ilu n LEU 120 Ca -0.02 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 1ilu n LEU 120 Cb 0.17 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1ilu n LEU 120 CO 0.30 0.55 1.48 0.23 -1.33 0.00 0.00 177.39 178.62 1ilu n MET 121 N -2.67 3.92 -3.80 3.23 2.81 0.32 -4.78 117.12 116.16 1ilu n MET 121 Ca -0.17 -4.04 -0.12 0.00 -1.81 0.00 0.00 57.70 51.56 1ilu n MET 121 Cb 0.71 -2.74 -0.10 0.00 -0.71 0.00 0.00 33.22 30.37 1ilu n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1ilu s LYS 122 N -0.87 0.47 0.25 0.03 -2.85 -1.23 -1.89 119.74 113.64 1ilu s LYS 122 Ca 0.36 -0.04 -0.17 0.00 -1.00 0.00 0.00 55.97 55.12 1ilu s LYS 122 Cb 0.05 0.21 0.01 0.00 -2.06 0.00 0.00 37.83 36.04 1ilu s LYS 122 CO 0.04 -0.10 0.58 0.20 0.10 0.00 0.00 175.35 176.17 1ilu s GLY 123 N -0.76 0.16 0.21 0.59 0.00 -0.12 -4.88 107.32 102.51 1ilu s GLY 123 Ca -0.09 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1ilu s GLY 123 CO 0.02 -0.34 0.37 -0.51 0.00 0.00 0.00 173.10 172.64 1ilu s THR 124 N -3.95 5.23 -0.20 0.90 -4.23 -0.69 -1.56 115.64 111.14 1ilu s THR 124 Ca 0.15 -0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1ilu s THR 124 Cb -0.03 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 70.10 1ilu s THR 124 CO 0.06 -0.20 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.68 1ilu s LEU 125 N -3.47 1.97 -0.14 4.79 0.20 -0.04 -1.66 118.68 120.33 1ilu s LEU 125 Ca 0.37 -0.93 -0.16 0.00 0.69 0.00 0.00 54.13 54.10 1ilu s LEU 125 Cb -0.11 -0.98 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 1ilu s LEU 125 CO 0.29 -0.23 0.37 -0.89 -0.29 0.00 0.00 176.35 175.60 1ilu s THR 126 N 1.57 5.25 -0.33 3.68 2.01 0.29 -4.02 115.64 124.08 1ilu s THR 126 Ca -0.03 0.72 -0.16 0.00 0.31 0.00 0.00 61.69 62.53 1ilu s THR 126 Cb -0.17 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1ilu s THR 126 CO -0.07 0.37 0.40 -0.22 -0.69 0.00 0.00 174.62 174.41 1ilu s LEU 127 N 0.50 4.34 0.00 4.42 1.98 -1.26 -0.24 118.68 128.42 1ilu s LEU 127 Ca 0.20 -0.07 0.20 0.00 -2.89 0.00 0.00 54.13 51.57 1ilu s LEU 127 Cb -0.14 -2.42 0.16 0.00 0.66 0.00 0.00 46.19 44.45 1ilu s LEU 127 CO 0.07 -0.35 1.13 2.29 -1.89 0.00 0.00 176.35 177.60