#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vlx s GLU 2 N 0.00 4.50 -1.35 0.00 2.56 -1.26 -3.74 118.70 119.42 1vlx s GLU 2 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 54.97 56.05 1vlx s GLU 2 Cb 0.00 -3.38 0.00 0.00 2.00 0.00 0.00 34.13 32.75 1vlx s GLU 2 CO 0.00 0.24 0.00 0.00 -0.56 0.00 0.00 175.26 174.94 1vlx s SER 4 N -2.30 -0.26 -0.03 0.00 1.04 -1.24 -1.63 113.70 109.28 1vlx s SER 4 Ca 0.00 -0.39 -0.21 0.00 0.48 0.00 0.00 55.95 55.83 1vlx s SER 4 Cb 0.00 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.72 1vlx s SER 4 CO 0.00 -1.02 0.46 0.54 0.98 0.00 0.00 173.24 174.20 1vlx s VAL 5 N -3.51 0.03 -0.12 5.02 0.11 -0.40 -4.68 120.40 116.86 1vlx s VAL 5 Ca 0.10 -0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1vlx s VAL 5 Cb -0.03 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1vlx s VAL 5 CO 0.01 -0.16 -0.11 -1.81 -3.33 0.00 0.00 175.10 169.70 1vlx s ASP 6 N -1.26 4.18 0.01 3.54 1.11 -1.26 -1.04 116.67 121.95 1vlx s ASP 6 Ca -0.12 -0.26 0.01 0.00 0.18 0.00 0.00 52.55 52.36 1vlx s ASP 6 Cb -0.03 -1.49 -0.01 0.00 1.07 0.00 0.00 42.92 42.46 1vlx s ASP 6 CO 0.06 0.21 -0.03 -0.51 1.18 0.00 0.00 175.17 176.08 1vlx s ILE 7 N 0.10 0.17 0.04 0.77 2.07 -0.13 -4.96 121.20 119.26 1vlx s ILE 7 Ca -0.05 -0.46 0.09 0.00 -1.41 0.00 0.00 60.65 58.82 1vlx s ILE 7 Cb -0.14 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 1vlx s ILE 7 CO 0.04 -0.19 -0.26 -1.10 -1.91 0.00 0.00 174.94 171.53 1vlx s GLN 8 N -0.68 1.78 -0.20 3.50 -0.21 -1.26 -1.16 119.66 121.43 1vlx s GLN 8 Ca -0.06 -1.08 0.01 0.00 0.02 0.00 0.00 55.36 54.25 1vlx s GLN 8 Cb -0.05 -1.94 0.04 0.00 1.00 0.00 0.00 33.01 32.06 1vlx s GLN 8 CO -0.00 0.50 -0.13 0.20 -2.12 0.00 0.00 175.29 173.74 1vlx s GLY 9 N -1.18 1.37 0.09 3.09 0.00 -0.53 -1.16 107.32 109.00 1vlx s GLY 9 Ca 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1vlx s GLY 9 CO 0.02 0.56 0.13 1.16 0.00 0.00 0.00 173.10 174.96 1vlx n ASN 10 N 4.62 0.22 0.00 1.64 0.23 -0.04 -3.68 115.26 118.25 1vlx n ASN 10 Ca -0.16 -1.17 0.12 0.00 -0.53 0.00 0.00 54.58 52.83 1vlx n ASN 10 Cb 0.47 -0.08 0.60 0.00 -2.08 0.00 0.00 39.78 38.69 1vlx n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1vlx n ASP 11 N -2.96 0.00 -1.68 0.53 8.00 -1.26 -2.72 116.55 116.46 1vlx n ASP 11 Ca 0.02 0.04 0.09 0.00 0.71 0.00 0.00 54.79 55.65 1vlx n ASP 11 Cb 0.08 -0.33 0.37 0.00 -0.02 0.00 0.00 41.12 41.23 1vlx n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vlx n GLN 12 N -1.33 4.02 -3.42 -1.24 6.02 -1.26 -4.93 117.38 115.25 1vlx n GLN 12 Ca 0.11 -2.96 -0.18 0.00 -0.01 0.00 0.00 57.00 53.96 1vlx n GLN 12 Cb 0.21 -1.99 0.07 0.00 1.02 0.00 0.00 30.24 29.55 1vlx n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1vlx n MET 13 N 1.05 -3.98 -4.18 -1.09 2.81 -1.10 -5.01 117.12 105.62 1vlx n MET 13 Ca 0.27 0.78 -0.16 0.00 -1.81 0.00 0.00 57.70 56.78 1vlx n MET 13 Cb 0.97 -5.58 -0.14 0.00 -0.71 0.00 0.00 33.22 27.76 1vlx n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1vlx s GLN 14 N -5.10 0.53 0.18 0.03 -0.21 -1.26 -4.34 119.66 109.48 1vlx s GLN 14 Ca 0.24 -0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.24 1vlx s GLN 14 Cb -0.04 -0.46 -0.04 0.00 1.00 0.00 0.00 33.01 33.46 1vlx s GLN 14 CO 0.76 0.12 0.37 -0.06 -2.12 0.00 0.00 175.29 174.36 1vlx s PHE 15 N -0.47 3.48 -0.98 0.91 0.08 -1.25 -0.86 117.98 118.89 1vlx s PHE 15 Ca -0.01 0.35 0.26 0.00 0.12 0.00 0.00 56.93 57.65 1vlx s PHE 15 Cb -0.04 -1.85 1.10 0.00 -0.57 0.00 0.00 43.02 41.66 1vlx s PHE 15 CO 0.00 0.41 1.83 0.27 -0.10 0.00 0.00 175.22 177.64 1vlx n ASN 16 N -0.48 0.05 -4.17 1.36 0.23 -0.31 -4.85 115.26 107.09 1vlx n ASN 16 Ca -0.05 0.51 -0.11 0.00 -0.53 0.00 0.00 54.58 54.41 1vlx n ASN 16 Cb 0.53 -0.52 -0.10 0.00 -2.08 0.00 0.00 39.78 37.61 1vlx n ASN 16 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1vlx s THR 17 N -3.01 0.57 0.00 5.53 -1.32 -1.26 -5.02 115.64 111.13 1vlx s THR 17 Ca 0.12 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 1vlx s THR 17 Cb 0.17 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.39 1vlx s THR 17 CO 0.48 -0.78 0.43 0.59 -2.21 0.00 0.00 174.62 173.13 1vlx n ASN 18 N -0.06 0.85 -3.72 8.08 4.13 -1.26 -4.81 115.26 118.46 1vlx n ASN 18 Ca -0.11 -1.04 -0.12 0.00 1.68 0.00 0.00 54.58 54.99 1vlx n ASN 18 Cb 0.62 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.73 1vlx n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vlx s ALA 19 N -0.04 -0.64 -0.00 5.41 0.00 -1.26 -1.45 121.76 123.78 1vlx s ALA 19 Ca 0.00 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.12 1vlx s ALA 19 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1vlx s ALA 19 CO 0.00 -0.22 -0.22 0.42 0.00 0.00 0.00 175.76 175.74 1vlx s ILE 20 N 1.31 1.77 -0.04 0.00 1.01 -0.32 -4.97 121.20 119.96 1vlx s ILE 20 Ca -0.09 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.57 1vlx s ILE 20 Cb -0.10 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 1vlx s ILE 20 CO -0.09 0.44 -0.17 0.42 0.00 0.00 0.00 174.94 175.54 1vlx s THR 21 N -0.59 1.37 -0.16 2.92 -4.23 -1.26 -1.08 115.64 112.61 1vlx s THR 21 Ca 0.09 -0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1vlx s THR 21 Cb -0.09 -1.18 -0.00 0.00 1.34 0.00 0.00 72.50 72.57 1vlx s THR 21 CO -0.00 0.40 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.65 1vlx s VAL 22 N -0.03 2.79 0.03 2.29 1.01 -0.02 -4.95 120.40 121.51 1vlx s VAL 22 Ca -0.02 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1vlx s VAL 22 Cb -0.10 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 1vlx s VAL 22 CO 0.02 0.50 1.33 -0.62 0.00 0.00 0.00 175.10 176.33 1vlx s ASP 23 N 0.86 6.92 0.63 3.32 2.15 -1.26 0.23 116.67 129.53 1vlx s ASP 23 Ca -0.04 2.08 0.30 0.00 0.43 0.00 0.00 52.55 55.33 1vlx s ASP 23 Cb -0.15 -2.57 1.66 0.00 -0.30 0.00 0.00 42.92 41.56 1vlx s ASP 23 CO -0.00 -0.63 1.99 0.11 -0.17 0.00 0.00 175.17 176.46 1vlx h LYS 24 N 7.37 0.00 0.00 4.34 1.57 -1.94 0.29 116.57 128.20 1vlx h LYS 24 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1vlx h LYS 24 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1vlx h LYS 24 CO 0.87 0.00 0.00 0.77 -0.57 0.00 0.00 179.45 180.52 1vlx h SER 25 N 0.00 0.00 -2.88 0.86 0.02 -1.94 -3.43 113.55 106.18 1vlx h SER 25 Ca 0.08 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.48 1vlx h SER 25 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1vlx h SER 25 CO -0.00 0.00 0.87 0.00 -1.14 0.00 0.00 176.83 176.56 1vlx h LYS 27 N 8.05 0.46 -4.96 0.00 3.64 -1.86 -3.42 116.57 118.48 1vlx h LYS 27 Ca -0.37 -0.63 -0.36 0.00 -1.27 0.00 0.00 60.65 58.02 1vlx h LYS 27 Cb 1.17 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 33.06 1vlx h LYS 27 CO 0.91 1.27 -0.63 -0.65 -2.27 0.00 0.00 179.45 178.08 1vlx s GLN 28 N -2.93 1.39 -0.13 1.90 -0.21 -1.26 -2.15 119.66 116.27 1vlx s GLN 28 Ca -0.07 -1.74 -0.11 0.00 0.02 0.00 0.00 55.36 53.46 1vlx s GLN 28 Cb 0.07 -0.41 0.04 0.00 1.00 0.00 0.00 33.01 33.70 1vlx s GLN 28 CO 0.90 -0.22 0.35 0.12 -2.12 0.00 0.00 175.29 174.32 1vlx s PHE 29 N -3.62 -0.40 0.03 0.91 2.19 -0.59 -4.83 117.98 111.67 1vlx s PHE 29 Ca 0.34 0.96 0.08 0.00 0.33 0.00 0.00 56.93 58.64 1vlx s PHE 29 Cb 0.07 0.14 -0.03 0.00 -1.31 0.00 0.00 43.02 41.89 1vlx s PHE 29 CO 0.12 -0.20 -0.22 0.99 1.83 0.00 0.00 175.22 177.73 1vlx s THR 30 N 0.38 2.46 -0.17 0.12 2.01 -0.65 -1.92 115.64 117.88 1vlx s THR 30 Ca -0.02 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 60.76 1vlx s THR 30 Cb -0.04 -1.98 0.03 0.00 0.01 0.00 0.00 72.50 70.52 1vlx s THR 30 CO -0.01 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.49 1vlx s VAL 31 N -0.83 1.62 -0.26 3.82 1.01 -0.83 -1.27 120.40 123.66 1vlx s VAL 31 Ca 0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 1vlx s VAL 31 Cb -0.10 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1vlx s VAL 31 CO 0.03 0.37 0.12 0.20 0.00 0.00 0.00 175.10 175.81 1vlx s ASN 32 N 1.45 5.52 -0.13 3.32 0.01 -0.20 -2.04 114.94 122.86 1vlx s ASN 32 Ca 0.03 -0.11 -0.02 0.00 -0.71 0.00 0.00 52.86 52.06 1vlx s ASN 32 Cb -0.14 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 1vlx s ASN 32 CO -0.10 -0.02 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.17 1vlx s LEU 33 N 1.57 3.05 0.25 0.60 2.96 0.59 -0.95 118.68 126.75 1vlx s LEU 33 Ca 0.06 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1vlx s LEU 33 Cb -0.15 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1vlx s LEU 33 CO 0.06 0.20 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.29 1vlx s SER 34 N 0.17 2.43 -0.45 3.68 1.04 -0.31 -1.85 113.70 118.41 1vlx s SER 34 Ca -0.04 -1.17 0.02 0.00 0.48 0.00 0.00 55.95 55.25 1vlx s SER 34 Cb -0.14 -0.11 0.15 0.00 0.10 0.00 0.00 66.02 66.02 1vlx s SER 34 CO 0.04 -0.36 0.28 -2.28 0.98 0.00 0.00 173.24 171.89 1vlx s HIS 35 N -3.13 1.77 0.84 5.02 2.46 -1.19 -1.45 115.29 119.61 1vlx s HIS 35 Ca 0.28 -2.37 -0.11 0.00 0.47 0.00 0.00 55.06 53.33 1vlx s HIS 35 Cb 0.04 -1.63 0.10 0.00 -0.13 0.00 0.00 32.58 30.96 1vlx s HIS 35 CO 0.10 -0.77 1.10 -1.25 -2.47 0.00 0.00 174.74 171.45 1vlx s PRO 36 N 0.22 1.68 0.00 2.88 0.04 -1.24 -0.51 135.00 138.07 1vlx s PRO 36 Ca 0.21 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1vlx s PRO 36 Cb -0.17 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1vlx s PRO 36 CO -0.05 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.34 1vlx n GLY 37 N -0.76 0.64 0.00 0.56 0.00 -1.26 -4.07 105.19 100.29 1vlx n GLY 37 Ca 0.09 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1vlx n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vlx n ASN 38 N 0.17 0.00 -4.74 1.61 4.13 -1.26 -4.55 115.26 110.62 1vlx n ASN 38 Ca 0.00 -0.06 -0.41 0.00 1.68 0.00 0.00 54.58 55.79 1vlx n ASN 38 Cb 0.00 0.01 -0.05 0.00 -1.54 0.00 0.00 39.78 38.21 1vlx n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1vlx s LEU 39 N -0.03 4.54 0.95 3.41 1.43 -1.26 -4.87 118.68 122.85 1vlx s LEU 39 Ca 0.00 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.93 1vlx s LEU 39 Cb 0.00 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 42.78 1vlx s LEU 39 CO 0.00 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.47 1vlx s PRO 40 N -0.54 0.81 0.54 1.29 0.04 -1.26 -1.96 135.00 133.93 1vlx s PRO 40 Ca 0.46 0.67 0.20 0.00 0.04 0.00 0.00 61.00 62.36 1vlx s PRO 40 Cb -0.26 -1.77 1.43 0.00 0.04 0.00 0.00 34.50 33.94 1vlx s PRO 40 CO 0.33 -2.51 2.18 -0.22 0.04 0.00 0.00 177.00 176.82 1vlx h LYS 41 N -1.74 0.00 0.00 4.56 3.64 -1.85 0.18 116.57 121.37 1vlx h LYS 41 Ca -0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1vlx h LYS 41 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1vlx h LYS 41 CO 0.56 0.00 0.00 -2.95 -2.27 0.00 0.00 179.45 174.79 1vlx h ASN 42 N 0.00 0.00 0.00 4.20 -1.07 -1.93 0.40 115.58 117.18 1vlx h ASN 42 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.16 1vlx h ASN 42 Cb 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.21 1vlx h ASN 42 CO -0.00 0.00 -1.98 0.52 0.07 0.00 0.00 177.43 176.04 1vlx n VAL 43 N -3.06 0.80 -2.75 6.14 0.31 -0.90 -4.74 118.33 114.12 1vlx n VAL 43 Ca 0.04 -0.59 -0.02 0.00 -0.01 0.00 0.00 64.34 63.76 1vlx n VAL 43 Cb 0.52 -0.42 0.08 0.00 -0.91 0.00 0.00 33.84 33.11 1vlx n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1vlx n MET 44 N -2.45 1.52 -1.77 5.55 0.00 0.60 -5.01 117.12 115.56 1vlx n MET 44 Ca -0.20 -2.53 -0.41 0.00 -0.00 0.00 0.00 57.70 54.56 1vlx n MET 44 Cb 0.86 -0.73 -0.00 0.00 0.00 0.00 0.00 33.22 33.35 1vlx n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vlx n GLY 45 N -0.92 1.23 3.03 -5.12 0.00 0.13 -4.75 105.19 98.78 1vlx n GLY 45 Ca -0.03 0.35 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 1vlx n GLY 45 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vlx s HIS 46 N -0.83 1.21 0.12 1.61 3.76 0.07 -4.68 115.29 116.55 1vlx s HIS 46 Ca 0.56 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 55.15 1vlx s HIS 46 Cb -0.48 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 1vlx s HIS 46 CO 0.60 -0.16 -0.09 0.54 -0.85 0.00 0.00 174.74 174.78 1vlx s ASN 47 N 0.31 1.54 -0.14 1.40 4.22 -1.26 0.50 114.94 121.51 1vlx s ASN 47 Ca -0.06 -0.94 0.02 0.00 -2.14 0.00 0.00 52.86 49.73 1vlx s ASN 47 Cb -0.11 0.02 0.01 0.00 1.28 0.00 0.00 41.25 42.44 1vlx s ASN 47 CO 0.01 -0.34 -0.20 0.86 -2.04 0.00 0.00 177.10 175.39 1vlx s TRP 48 N -3.09 2.70 0.02 1.54 -0.00 -1.26 -4.13 118.94 114.72 1vlx s TRP 48 Ca 0.12 -1.29 0.08 0.00 -0.00 0.00 0.00 56.10 55.00 1vlx s TRP 48 Cb 0.01 -1.83 -0.02 0.00 -0.00 0.00 0.00 33.47 31.63 1vlx s TRP 48 CO -0.01 -0.59 -0.23 0.08 -0.00 0.00 0.00 176.95 176.20 1vlx s VAL 49 N 0.83 1.83 -0.03 5.86 1.01 -0.16 -0.33 120.40 129.41 1vlx s VAL 49 Ca -0.06 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 60.84 1vlx s VAL 49 Cb -0.15 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1vlx s VAL 49 CO -0.02 0.37 -0.21 -0.22 0.00 0.00 0.00 175.10 175.02 1vlx s LEU 50 N -0.91 2.02 0.27 3.92 2.96 0.58 -1.33 118.68 126.18 1vlx s LEU 50 Ca 0.09 -0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 53.40 1vlx s LEU 50 Cb -0.09 -1.12 0.05 0.00 0.50 0.00 0.00 46.19 45.53 1vlx s LEU 50 CO 0.01 0.24 0.86 -0.94 -1.32 0.00 0.00 176.35 175.20 1vlx s SER 51 N -0.37 -0.11 0.63 3.68 1.04 -0.85 -1.48 113.70 116.24 1vlx s SER 51 Ca 0.05 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.58 1vlx s SER 51 Cb -0.10 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1vlx s SER 51 CO 0.00 -1.28 1.10 0.42 0.98 0.00 0.00 173.24 174.46 1vlx s THR 52 N -2.93 3.33 0.55 2.02 -4.23 -1.26 -1.14 115.64 111.99 1vlx s THR 52 Ca 0.15 0.65 0.24 0.00 -1.18 0.00 0.00 61.69 61.55 1vlx s THR 52 Cb -0.04 -3.18 0.35 0.00 1.34 0.00 0.00 72.50 70.97 1vlx s THR 52 CO 0.07 -0.35 2.09 0.00 -0.54 0.00 0.00 174.62 175.89 1vlx h ALA 53 N 0.29 2.05 -0.65 3.99 0.00 -0.35 -2.25 119.26 122.34 1vlx h ALA 53 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1vlx h ALA 53 Cb 1.24 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1vlx h ALA 53 CO 0.55 -0.30 0.16 0.00 0.00 0.00 0.00 179.25 179.66 1vlx h ALA 54 N 1.84 1.06 -0.01 0.00 0.00 -1.90 -3.10 119.26 117.14 1vlx h ALA 54 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vlx h ALA 54 Cb 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vlx h ALA 54 CO -0.00 0.62 -0.25 -0.25 0.00 0.00 0.00 179.25 179.37 1vlx n ASP 55 N -4.25 1.46 0.01 0.00 8.00 -0.86 -4.53 116.55 116.38 1vlx n ASP 55 Ca 0.05 -1.20 -0.10 0.00 0.71 0.00 0.00 54.79 54.25 1vlx n ASP 55 Cb 0.24 0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1vlx n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1vlx h MET 56 N 1.89 -0.25 -0.30 -1.24 4.05 -1.43 -1.96 114.93 115.68 1vlx h MET 56 Ca 0.00 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.51 1vlx h MET 56 Cb 0.60 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.38 1vlx h MET 56 CO 0.00 -0.17 -0.20 0.37 0.23 0.00 0.00 176.91 177.14 1vlx h GLN 57 N -0.26 -0.16 -1.00 0.39 5.75 -1.81 -1.42 115.11 116.59 1vlx h GLN 57 Ca 0.09 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.63 1vlx h GLN 57 Cb 0.39 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.93 1vlx h GLN 57 CO -0.26 -0.11 0.66 0.78 -2.65 0.00 0.00 178.83 177.26 1vlx h GLY 58 N -0.17 1.45 1.08 2.39 0.00 -1.76 0.67 103.07 106.74 1vlx h GLY 58 Ca 0.16 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1vlx h GLY 58 CO -0.40 0.47 0.26 -2.08 0.00 0.00 0.00 176.54 174.78 1vlx h VAL 59 N 1.31 1.26 0.08 4.60 2.07 -0.74 -1.25 116.25 123.58 1vlx h VAL 59 Ca 0.39 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1vlx h VAL 59 Cb -0.06 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1vlx h VAL 59 CO -0.11 0.35 -0.04 0.58 0.02 0.00 0.00 177.57 178.38 1vlx h VAL 60 N 1.12 1.14 -0.75 2.57 2.07 -0.27 0.28 116.25 122.41 1vlx h VAL 60 Ca 0.25 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1vlx h VAL 60 Cb 0.28 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1vlx h VAL 60 CO -0.01 0.20 0.43 0.74 0.02 0.00 0.00 177.57 178.95 1vlx h THR 61 N -0.47 0.97 0.01 2.57 2.02 -0.91 -0.70 112.91 116.39 1vlx h THR 61 Ca -0.01 -0.27 -0.19 0.00 0.77 0.00 0.00 66.41 66.71 1vlx h THR 61 Cb 0.40 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1vlx h THR 61 CO 0.02 0.14 -0.91 0.44 0.37 0.00 0.00 175.52 175.58 1vlx h ASP 62 N 0.77 0.08 -0.43 4.18 3.32 -1.22 -2.70 116.42 120.43 1vlx h ASP 62 Ca 0.34 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1vlx h ASP 62 Cb 0.23 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1vlx h ASP 62 CO -0.20 0.95 0.06 1.23 -1.72 0.00 0.00 179.24 179.56 1vlx h GLY 63 N 2.41 0.77 0.98 2.75 0.00 0.04 -2.34 103.07 107.68 1vlx h GLY 63 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1vlx h GLY 63 CO 0.13 0.48 0.10 1.98 0.00 0.00 0.00 176.54 179.23 1vlx h MET 64 N 0.57 0.22 -0.82 4.80 1.85 -1.09 -2.32 114.93 118.14 1vlx h MET 64 Ca 0.13 -0.02 0.18 0.00 -0.61 0.00 0.00 59.70 59.38 1vlx h MET 64 Cb 0.39 -0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.32 1vlx h MET 64 CO 0.01 0.17 0.55 0.00 -0.40 0.00 0.00 176.91 177.24 1vlx h ALA 65 N 1.03 2.19 0.00 0.39 0.00 -1.27 -1.40 119.26 120.21 1vlx h ALA 65 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1vlx h ALA 65 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1vlx h ALA 65 CO -0.01 -0.42 -0.35 0.77 0.00 0.00 0.00 179.25 179.23 1vlx h SER 66 N 0.39 0.00 -3.96 0.00 0.02 -0.87 -3.50 113.55 105.64 1vlx h SER 66 Ca 0.41 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 1vlx h SER 66 Cb 1.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1vlx h SER 66 CO -0.14 0.35 -0.05 0.61 -1.14 0.00 0.00 176.83 176.46 1vlx n GLY 67 N 0.25 -1.68 0.42 -3.77 0.00 -0.53 -4.15 105.19 95.74 1vlx n GLY 67 Ca -0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 1vlx n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vlx h LEU 68 N -0.10 -1.72 -1.94 0.99 5.85 -1.91 0.19 115.31 116.67 1vlx h LEU 68 Ca -0.00 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1vlx h LEU 68 Cb 0.10 0.75 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1vlx h LEU 68 CO 0.00 -0.36 0.38 -2.24 -0.34 0.00 0.00 178.44 175.89 1vlx h ASP 69 N -0.28 0.00 -0.40 1.25 2.03 -2.02 0.81 116.42 117.82 1vlx h ASP 69 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1vlx h ASP 69 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1vlx h ASP 69 CO -0.68 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 177.82 1vlx n LYS 70 N -3.13 3.15 -1.90 4.15 5.02 0.41 -4.93 118.16 120.93 1vlx n LYS 70 Ca 0.01 -2.57 -0.19 0.00 -2.02 0.00 0.00 58.31 53.54 1vlx n LYS 70 Cb 0.47 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1vlx n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vlx n ASP 71 N 0.31 -5.17 -3.77 4.39 9.92 0.28 -2.02 116.55 120.50 1vlx n ASP 71 Ca 0.19 0.29 -0.28 0.00 -0.53 0.00 0.00 54.79 54.46 1vlx n ASP 71 Cb 0.73 -4.49 0.05 0.00 -0.64 0.00 0.00 41.12 36.77 1vlx n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1vlx n TYR 72 N -2.92 -2.55 -4.04 1.24 4.01 0.28 -4.79 117.16 108.40 1vlx n TYR 72 Ca -0.20 0.94 -0.17 0.00 -0.16 0.00 0.00 57.90 58.31 1vlx n TYR 72 Cb 0.64 -4.42 -0.15 0.00 -0.31 0.00 0.00 39.34 35.09 1vlx n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1vlx s LEU 73 N -7.29 1.54 0.01 7.72 1.43 -0.86 -4.14 118.68 117.10 1vlx s LEU 73 Ca 0.63 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1vlx s LEU 73 Cb -0.30 -0.26 -0.06 0.00 0.03 0.00 0.00 46.19 45.60 1vlx s LEU 73 CO 0.78 -0.03 1.46 -0.75 0.23 0.00 0.00 176.35 178.04 1vlx s LYS 74 N 0.54 4.26 0.46 1.70 2.20 -1.26 -4.86 119.74 122.78 1vlx s LYS 74 Ca -0.06 2.04 -0.25 0.00 -0.36 0.00 0.00 55.97 57.35 1vlx s LYS 74 Cb -0.09 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.56 1vlx s LYS 74 CO -0.01 -0.61 1.42 -2.14 -0.36 0.00 0.00 175.35 173.65 1vlx s PRO 75 N 2.49 3.66 -1.34 4.03 0.02 -1.26 -2.42 135.00 140.17 1vlx s PRO 75 Ca 0.66 2.40 0.00 0.00 0.02 0.00 0.00 61.00 64.08 1vlx s PRO 75 Cb -0.33 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.56 1vlx s PRO 75 CO 0.28 -0.83 0.00 -0.25 -0.33 0.00 0.00 177.00 175.86 1vlx n ASP 76 N -0.24 -4.66 -4.63 2.53 8.00 -1.26 -4.86 116.55 111.43 1vlx n ASP 76 Ca 0.05 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 1vlx n ASP 76 Cb 0.42 -3.93 -0.03 0.00 -0.02 0.00 0.00 41.12 37.56 1vlx n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1vlx s ASP 77 N -2.04 6.07 0.00 -2.24 -1.08 -1.02 -4.82 116.67 111.54 1vlx s ASP 77 Ca 0.00 2.10 0.16 0.00 -0.52 0.00 0.00 52.55 54.29 1vlx s ASP 77 Cb 0.00 -2.52 0.78 0.00 -1.46 0.00 0.00 42.92 39.72 1vlx s ASP 77 CO 0.00 -1.44 1.49 -1.54 0.52 0.00 0.00 175.17 174.20 1vlx n SER 78 N 9.30 0.00 0.11 -0.34 3.41 -1.26 -2.31 113.62 122.53 1vlx n SER 78 Ca 0.23 0.20 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 1vlx n SER 78 Cb 0.44 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1vlx n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1vlx h ARG 79 N 0.00 0.00 -6.34 4.33 3.08 -1.97 -3.45 114.38 110.03 1vlx h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1vlx h ARG 79 Cb 0.20 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1vlx h ARG 79 CO 0.00 0.16 0.87 0.08 -1.07 0.00 0.00 179.97 180.01 1vlx s VAL 80 N -3.15 4.43 0.04 2.04 1.01 -0.98 -4.53 120.40 119.26 1vlx s VAL 80 Ca 0.01 1.64 -0.20 0.00 0.00 0.00 0.00 61.98 63.43 1vlx s VAL 80 Cb 0.08 -4.39 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 1vlx s VAL 80 CO 0.77 -0.51 1.28 0.40 0.00 0.00 0.00 175.10 177.04 1vlx h ILE 81 N 5.79 1.37 -2.27 2.22 2.04 -1.57 -3.48 117.51 121.62 1vlx h ILE 81 Ca -0.22 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.06 1vlx h ILE 81 Cb 1.07 2.05 -0.17 0.00 -0.74 0.00 0.00 36.82 39.02 1vlx h ILE 81 CO 1.04 0.46 0.22 0.00 0.00 0.00 0.00 178.15 179.87 1vlx s ALA 82 N -3.98 -1.73 -0.13 1.87 0.00 -1.24 -5.02 121.76 111.53 1vlx s ALA 82 Ca -0.14 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 1vlx s ALA 82 Cb 0.05 0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.48 1vlx s ALA 82 CO 0.78 -0.49 0.75 -3.38 0.00 0.00 0.00 175.76 173.42 1vlx s HIS 83 N -1.96 -0.65 0.15 0.00 -3.43 -1.26 -0.31 115.29 107.84 1vlx s HIS 83 Ca -0.07 1.27 -0.01 0.00 -0.80 0.00 0.00 55.06 55.45 1vlx s HIS 83 Cb -0.00 0.38 0.03 0.00 -1.43 0.00 0.00 32.58 31.56 1vlx s HIS 83 CO 0.03 -0.50 0.20 0.25 -2.00 0.00 0.00 174.74 172.71 1vlx n THR 84 N 1.39 0.00 -2.37 -5.38 -2.24 0.55 -4.90 114.28 101.32 1vlx n THR 84 Ca -0.16 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.11 1vlx n THR 84 Cb 0.57 -1.42 0.06 0.00 -2.10 0.00 0.00 70.33 67.43 1vlx n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vlx s LYS 85 N -3.03 2.29 -0.21 -0.78 1.02 -1.26 -4.26 119.74 113.50 1vlx s LYS 85 Ca 0.13 -0.48 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 1vlx s LYS 85 Cb -0.01 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.00 1vlx s LYS 85 CO 0.09 -1.07 0.70 -1.17 -0.92 0.00 0.00 175.35 172.98 1vlx s LEU 86 N -5.07 4.12 0.25 3.17 2.96 -1.26 -4.02 118.68 118.82 1vlx s LEU 86 Ca 0.59 0.91 0.11 0.00 -0.22 0.00 0.00 54.13 55.53 1vlx s LEU 86 Cb -0.10 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 1vlx s LEU 86 CO 0.42 -0.36 -0.19 0.27 -1.32 0.00 0.00 176.35 175.18 1vlx s ILE 87 N 2.25 2.58 0.55 6.68 -4.36 0.18 -4.84 121.20 124.23 1vlx s ILE 87 Ca 0.31 -2.22 0.08 0.00 -0.26 0.00 0.00 60.65 58.56 1vlx s ILE 87 Cb -0.16 -2.32 0.06 0.00 1.25 0.00 0.00 42.46 41.29 1vlx s ILE 87 CO 0.10 -0.30 0.63 -0.83 0.24 0.00 0.00 174.94 174.77 1vlx s GLY 88 N -3.26 1.97 0.32 6.27 0.00 -1.26 -0.75 107.32 110.61 1vlx s GLY 88 Ca 0.27 -1.82 -0.29 0.00 0.00 0.00 0.00 44.72 42.88 1vlx s GLY 88 CO 0.14 -1.76 1.39 -1.14 0.00 0.00 0.00 173.10 171.73 1vlx n SER 89 N -2.02 3.06 0.00 1.64 3.41 -0.83 -2.41 113.62 116.46 1vlx n SER 89 Ca 0.09 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.89 1vlx n SER 89 Cb 0.62 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1vlx n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vlx n GLY 90 N 1.24 2.53 3.93 5.00 0.00 0.33 -4.96 105.19 113.26 1vlx n GLY 90 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1vlx n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vlx s GLU 91 N -0.47 3.17 0.05 1.61 2.02 -1.01 -4.94 118.70 119.12 1vlx s GLU 91 Ca 0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 1vlx s GLU 91 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 1vlx s GLU 91 CO 0.00 -0.35 0.02 0.21 0.02 0.00 0.00 175.26 175.16 1vlx s LYS 92 N -4.71 0.59 -0.11 1.61 2.47 -1.26 -3.17 119.74 115.16 1vlx s LYS 92 Ca 0.49 -1.01 -0.30 0.00 -1.56 0.00 0.00 55.97 53.59 1vlx s LYS 92 Cb -0.10 0.22 0.09 0.00 -1.46 0.00 0.00 37.83 36.58 1vlx s LYS 92 CO 0.42 -0.13 0.80 0.34 0.16 0.00 0.00 175.35 176.94 1vlx s ASP 93 N -2.55 -0.56 0.08 1.43 2.15 -0.77 -5.01 116.67 111.43 1vlx s ASP 93 Ca 0.01 0.66 0.03 0.00 0.43 0.00 0.00 52.55 53.68 1vlx s ASP 93 Cb 0.03 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.14 1vlx s ASP 93 CO -0.08 -0.48 -0.10 -0.44 -0.17 0.00 0.00 175.17 173.90 1vlx s SER 94 N -1.02 1.32 -0.06 -0.34 0.01 -1.26 -0.30 113.70 112.05 1vlx s SER 94 Ca -0.07 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 56.41 1vlx s SER 94 Cb -0.01 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.28 1vlx s SER 94 CO 0.06 -0.25 0.12 0.54 0.41 0.00 0.00 173.24 174.12 1vlx s VAL 95 N -2.21 -0.09 -0.11 3.43 0.11 -0.87 -4.95 120.40 115.73 1vlx s VAL 95 Ca 0.02 0.23 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 1vlx s VAL 95 Cb -0.04 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1vlx s VAL 95 CO -0.00 0.09 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.85 1vlx s THR 96 N 1.36 3.16 0.11 5.04 2.01 -1.26 -1.96 115.64 124.10 1vlx s THR 96 Ca -0.07 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1vlx s THR 96 Cb -0.12 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1vlx s THR 96 CO -0.05 0.54 -0.08 0.72 -0.69 0.00 0.00 174.62 175.06 1vlx s PHE 97 N 0.03 1.00 0.17 4.92 -0.12 -0.81 -4.94 117.98 118.23 1vlx s PHE 97 Ca -0.04 -0.80 -0.30 0.00 -0.05 0.00 0.00 56.93 55.74 1vlx s PHE 97 Cb -0.14 -0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 41.62 1vlx s PHE 97 CO 0.04 -0.06 1.07 -0.51 -0.05 0.00 0.00 175.22 175.71 1vlx s ASP 98 N -2.88 7.31 0.43 1.98 1.01 -1.26 -1.54 116.67 121.73 1vlx s ASP 98 Ca 0.11 2.05 0.23 0.00 0.71 0.00 0.00 52.55 55.64 1vlx s ASP 98 Cb 0.02 -2.60 0.87 0.00 1.01 0.00 0.00 42.92 42.22 1vlx s ASP 98 CO -0.02 -0.18 1.81 0.58 0.21 0.00 0.00 175.17 177.56 1vlx h VAL 99 N 3.73 0.63 0.00 -1.27 2.07 -1.69 -2.79 116.25 116.93 1vlx h VAL 99 Ca -0.44 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1vlx h VAL 99 Cb 1.21 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1vlx h VAL 99 CO 0.72 0.25 0.00 -1.54 0.02 0.00 0.00 177.57 177.02 1vlx n SER 100 N -3.43 0.00 -0.18 0.57 3.41 -1.26 -1.20 113.62 111.53 1vlx n SER 100 Ca 0.00 0.37 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 1vlx n SER 100 Cb 0.44 -0.42 0.58 0.00 -0.26 0.00 0.00 64.21 64.55 1vlx n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vlx n LYS 101 N -1.42 1.24 -5.03 4.33 5.02 -1.05 -4.78 118.16 116.47 1vlx n LYS 101 Ca 0.03 -0.35 -0.29 0.00 -2.02 0.00 0.00 58.31 55.67 1vlx n LYS 101 Cb 0.09 -1.37 -0.17 0.00 -0.02 0.00 0.00 35.03 33.56 1vlx n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vlx s LEU 102 N -1.69 1.96 0.16 -0.35 1.43 -0.34 -5.10 118.68 114.75 1vlx s LEU 102 Ca 0.33 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 1vlx s LEU 102 Cb 0.16 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 45.13 1vlx s LEU 102 CO 0.26 0.15 0.40 -0.54 0.23 0.00 0.00 176.35 176.86 1vlx s LYS 103 N 0.24 3.64 0.38 1.70 1.02 -1.26 -5.05 119.74 120.41 1vlx s LYS 103 Ca -0.12 -0.05 -0.24 0.00 0.02 0.00 0.00 55.97 55.59 1vlx s LYS 103 Cb -0.15 -2.82 -0.10 0.00 -0.52 0.00 0.00 37.83 34.23 1vlx s LYS 103 CO 0.05 0.44 0.95 -1.83 -0.92 0.00 0.00 175.35 174.05 1vlx s GLU 104 N -2.70 4.40 -0.04 1.68 -1.05 -1.26 -3.70 118.70 116.04 1vlx s GLU 104 Ca 0.42 1.24 -0.00 0.00 -0.15 0.00 0.00 54.97 56.48 1vlx s GLU 104 Cb -0.12 -2.50 0.00 0.00 -0.44 0.00 0.00 34.13 31.07 1vlx s GLU 104 CO 0.24 0.11 0.02 0.41 0.95 0.00 0.00 175.26 176.99 1vlx n GLY 105 N -0.01 0.67 3.08 -3.83 0.00 -1.26 -5.06 105.19 98.78 1vlx n GLY 105 Ca 0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1vlx n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vlx s GLU 106 N -4.60 0.29 -0.18 1.61 2.12 -1.24 -5.15 118.70 111.56 1vlx s GLU 106 Ca 0.01 0.07 -0.15 0.00 0.36 0.00 0.00 54.97 55.26 1vlx s GLU 106 Cb -0.00 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 1vlx s GLU 106 CO 0.01 -0.05 0.35 -0.65 -0.54 0.00 0.00 175.26 174.38 1vlx s GLN 107 N -0.32 4.23 0.28 4.30 -1.52 -1.26 -4.88 119.66 120.48 1vlx s GLN 107 Ca -0.04 0.16 0.11 0.00 -1.95 0.00 0.00 55.36 53.64 1vlx s GLN 107 Cb -0.03 -3.48 -0.05 0.00 -0.22 0.00 0.00 33.01 29.24 1vlx s GLN 107 CO 0.01 0.11 -0.14 0.71 -0.25 0.00 0.00 175.29 175.73 1vlx s TYR 108 N 0.85 2.42 0.02 0.91 2.02 -1.21 0.35 117.35 122.71 1vlx s TYR 108 Ca 0.18 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1vlx s TYR 108 Cb -0.14 -1.06 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1vlx s TYR 108 CO 0.06 0.69 -0.07 -1.64 -1.57 0.00 0.00 175.55 173.02 1vlx s MET 109 N -3.56 0.54 0.12 -0.62 -1.94 -0.29 -2.07 119.30 111.47 1vlx s MET 109 Ca 0.30 -0.46 0.07 0.00 -1.71 0.00 0.00 55.69 53.89 1vlx s MET 109 Cb -0.05 -0.45 -0.04 0.00 2.01 0.00 0.00 34.83 36.30 1vlx s MET 109 CO 0.17 0.11 -0.07 -0.59 -0.01 0.00 0.00 175.02 174.62 1vlx s PHE 110 N -0.65 2.78 -0.12 -0.03 -0.71 -0.50 -2.01 117.98 116.73 1vlx s PHE 110 Ca -0.02 -0.14 -0.33 0.00 -1.04 0.00 0.00 56.93 55.40 1vlx s PHE 110 Cb -0.06 -1.42 0.13 0.00 -1.21 0.00 0.00 43.02 40.46 1vlx s PHE 110 CO 0.00 0.46 1.17 -0.59 -1.34 0.00 0.00 175.22 174.92 1vlx s PHE 111 N -1.35 -0.14 -0.13 3.49 -0.12 -0.44 -2.15 117.98 117.12 1vlx s PHE 111 Ca 0.23 0.06 -0.05 0.00 -0.05 0.00 0.00 56.93 57.12 1vlx s PHE 111 Cb -0.11 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1vlx s PHE 111 CO 0.15 -0.29 0.06 0.00 -0.05 0.00 0.00 175.22 175.10 1vlx n THR 113 N 2.62 0.00 -1.74 0.00 -2.24 -1.26 -3.28 114.28 108.38 1vlx n THR 113 Ca -0.18 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1vlx n THR 113 Cb 0.53 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 1vlx n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1vlx n PHE 114 N 0.39 2.75 -1.67 4.78 -0.00 -1.26 -4.59 117.46 117.87 1vlx n PHE 114 Ca 0.15 0.31 -0.60 0.00 -0.00 0.00 0.00 57.45 57.31 1vlx n PHE 114 Cb 0.45 -2.56 -0.08 0.00 -0.00 0.00 0.00 39.48 37.29 1vlx n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1vlx n PRO 115 N 1.85 0.62 0.00 -7.13 -0.02 -1.26 -1.79 135.00 127.27 1vlx n PRO 115 Ca 0.08 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1vlx n PRO 115 Cb 0.36 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1vlx n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlx n GLY 116 N 3.41 3.06 0.17 -1.23 0.00 -1.26 -4.87 105.19 104.46 1vlx n GLY 116 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 1vlx n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1vlx h HIS 117 N 0.00 0.35 -0.13 1.61 3.86 -1.63 -3.24 115.15 115.97 1vlx h HIS 117 Ca 0.00 -0.14 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1vlx h HIS 117 Cb 0.00 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1vlx h HIS 117 CO 0.00 0.84 0.14 0.66 0.86 0.00 0.00 177.93 180.43 1vlx h SER 118 N 0.19 0.00 -0.74 2.45 4.64 -1.70 0.48 113.55 118.87 1vlx h SER 118 Ca -0.01 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.39 1vlx h SER 118 Cb 1.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 1vlx h SER 118 CO 0.10 0.00 0.41 0.00 -0.87 0.00 0.00 176.83 176.47 1vlx h ALA 119 N 1.84 1.03 0.00 5.18 0.00 -1.90 -3.28 119.26 122.12 1vlx h ALA 119 Ca 0.06 0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 1vlx h ALA 119 Cb 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1vlx h ALA 119 CO -0.00 0.05 -1.71 1.28 0.00 0.00 0.00 179.25 178.87 1vlx n LEU 120 N -4.79 1.90 -4.47 0.00 7.99 -0.26 -4.83 117.00 112.54 1vlx n LEU 120 Ca 0.11 0.40 -0.43 0.00 -0.01 0.00 0.00 56.01 56.08 1vlx n LEU 120 Cb 0.24 -0.90 -0.02 0.00 -0.11 0.00 0.00 43.42 42.63 1vlx n LEU 120 CO 0.27 0.33 1.09 -0.04 -1.51 0.00 0.00 177.39 177.52 1vlx s MET 121 N -2.44 3.64 0.02 3.23 -1.94 0.15 -4.88 119.30 117.09 1vlx s MET 121 Ca -0.32 -1.74 -0.28 0.00 -1.71 0.00 0.00 55.69 51.64 1vlx s MET 121 Cb 0.09 -4.99 0.08 0.00 2.01 0.00 0.00 34.83 32.02 1vlx s MET 121 CO 0.52 -1.83 0.70 -1.59 -0.01 0.00 0.00 175.02 172.81 1vlx s LYS 122 N 2.91 1.07 0.22 2.03 0.00 -1.26 -2.53 119.74 122.19 1vlx s LYS 122 Ca 0.35 -0.05 -0.22 0.00 0.00 0.00 0.00 55.97 56.05 1vlx s LYS 122 Cb -0.04 0.50 0.05 0.00 0.00 0.00 0.00 37.83 38.34 1vlx s LYS 122 CO -0.09 -0.40 0.88 0.20 0.00 0.00 0.00 175.35 175.94 1vlx s GLY 123 N -1.84 -0.08 0.05 0.59 0.00 -0.92 -4.82 107.32 100.31 1vlx s GLY 123 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1vlx s GLY 123 CO -0.00 0.21 0.16 -0.51 0.00 0.00 0.00 173.10 172.96 1vlx s THR 124 N -3.23 5.14 -0.07 0.90 -4.23 -0.53 -1.40 115.64 112.22 1vlx s THR 124 Ca 0.13 -0.45 0.05 0.00 -1.18 0.00 0.00 61.69 60.25 1vlx s THR 124 Cb -0.03 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 1vlx s THR 124 CO 0.05 0.18 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.86 1vlx s LEU 125 N -2.34 2.03 0.01 4.79 0.20 -0.88 -1.18 118.68 121.32 1vlx s LEU 125 Ca 0.32 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.65 1vlx s LEU 125 Cb -0.13 -1.29 -0.01 0.00 -0.43 0.00 0.00 46.19 44.33 1vlx s LEU 125 CO 0.24 0.20 -0.02 0.28 -0.29 0.00 0.00 176.35 176.76 1vlx s THR 126 N 0.03 0.07 0.71 3.68 -1.32 -0.24 -3.30 115.64 115.26 1vlx s THR 126 Ca -0.08 -0.55 -0.11 0.00 -1.21 0.00 0.00 61.69 59.74 1vlx s THR 126 Cb -0.15 -0.16 0.02 0.00 -1.51 0.00 0.00 72.50 70.70 1vlx s THR 126 CO 0.05 -0.30 1.07 -0.76 -2.21 0.00 0.00 174.62 172.46 1vlx s LEU 127 N -0.88 3.12 0.00 9.08 1.43 -1.26 -0.84 118.68 129.32 1vlx s LEU 127 Ca -0.10 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1vlx s LEU 127 Cb -0.06 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.66 1vlx s LEU 127 CO -0.01 -1.55 0.00 1.17 0.23 0.00 0.00 176.35 176.19