#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvg s LEU 2 N 0.00 0.62 0.31 -2.12 1.43 0.23 -4.93 118.68 114.22 3jvg s LEU 2 Ca 0.00 0.11 -0.28 0.00 -1.03 0.00 0.00 54.13 52.93 3jvg s LEU 2 Cb 0.00 -0.01 -0.10 0.00 0.03 0.00 0.00 46.19 46.11 3jvg s LEU 2 CO 0.00 -0.18 1.17 0.28 0.23 0.00 0.00 176.35 177.85 3jvg s THR 3 N 1.56 3.22 0.54 5.49 -1.32 -1.26 -1.81 115.64 122.06 3jvg s THR 3 Ca -0.03 1.19 -0.21 0.00 -1.21 0.00 0.00 61.69 61.43 3jvg s THR 3 Cb -0.12 -3.74 -0.05 0.00 -1.51 0.00 0.00 72.50 67.07 3jvg s THR 3 CO -0.04 0.26 1.23 -2.16 -2.21 0.00 0.00 174.62 171.70 3jvg s PRO 4 N -1.69 3.24 -0.18 7.08 0.04 -1.26 -4.40 135.00 137.82 3jvg s PRO 4 Ca 0.48 1.90 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 3jvg s PRO 4 Cb -0.34 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 3jvg s PRO 4 CO 0.44 -1.01 -0.06 0.15 0.04 0.00 0.00 177.00 176.56 3jvg s LYS 5 N -3.06 3.46 -0.05 4.56 1.02 0.28 -4.89 119.74 121.06 3jvg s LYS 5 Ca 0.72 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 56.15 3jvg s LYS 5 Cb -0.32 -2.91 -0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3jvg s LYS 5 CO 0.36 0.01 -0.19 0.08 -0.92 0.00 0.00 175.35 174.69 3jvg s VAL 6 N 0.93 1.62 -0.02 3.17 1.01 -1.26 -0.79 120.40 125.06 3jvg s VAL 6 Ca -0.01 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3jvg s VAL 6 Cb -0.15 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3jvg s VAL 6 CO 0.01 0.46 -0.14 -1.10 0.00 0.00 0.00 175.10 174.33 3jvg s GLN 7 N 0.04 1.26 -0.08 2.72 -1.52 -0.63 -5.01 119.66 116.44 3jvg s GLN 7 Ca -0.06 -0.49 0.04 0.00 -1.95 0.00 0.00 55.36 52.91 3jvg s GLN 7 Cb -0.13 -1.17 0.00 0.00 -0.22 0.00 0.00 33.01 31.50 3jvg s GLN 7 CO 0.03 0.25 -0.21 0.08 -0.25 0.00 0.00 175.29 175.19 3jvg s VAL 8 N -0.13 1.83 0.02 1.09 1.01 -1.26 -1.13 120.40 121.84 3jvg s VAL 8 Ca 0.01 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 3jvg s VAL 8 Cb -0.08 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.81 3jvg s VAL 8 CO 0.00 0.51 0.80 -0.72 0.00 0.00 0.00 175.10 175.69 3jvg s TYR 9 N 0.33 -0.43 0.27 5.22 1.13 -0.82 -4.68 117.35 118.37 3jvg s TYR 9 Ca -0.16 0.36 0.06 0.00 -1.41 0.00 0.00 57.07 55.92 3jvg s TYR 9 Cb -0.17 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.19 3jvg s TYR 9 CO 0.07 -0.62 0.38 -1.54 -2.51 0.00 0.00 175.55 171.33 3jvg s SER 10 N -2.32 6.10 0.12 -0.18 1.04 -0.92 -0.99 113.70 116.55 3jvg s SER 10 Ca 0.02 -0.06 -0.16 0.00 0.48 0.00 0.00 55.95 56.23 3jvg s SER 10 Cb -0.01 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.50 3jvg s SER 10 CO -0.08 -0.19 1.60 -0.09 0.98 0.00 0.00 173.24 175.46 3jvg h ARG 11 N 1.12 0.63 -6.39 4.02 9.65 -1.53 -3.43 114.38 118.44 3jvg h ARG 11 Ca -0.49 -0.17 -0.60 0.00 -1.10 0.00 0.00 59.98 57.62 3jvg h ARG 11 Cb 1.24 -0.07 -0.21 0.00 -1.39 0.00 0.00 29.97 29.53 3jvg h ARG 11 CO 0.58 0.69 -0.84 -0.06 2.80 0.00 0.00 179.97 183.15 3jvg s PHE 12 N -5.19 1.97 -0.50 2.20 0.40 -1.26 -5.04 117.98 110.57 3jvg s PHE 12 Ca -0.13 -0.41 -0.46 0.00 -0.60 0.00 0.00 56.93 55.33 3jvg s PHE 12 Cb 0.10 -1.06 -0.20 0.00 0.51 0.00 0.00 43.02 42.37 3jvg s PHE 12 CO 0.77 0.27 1.73 -2.30 0.70 0.00 0.00 175.22 176.40 3jvg n PRO 13 N 0.92 0.00 -2.28 0.24 -0.02 -1.26 -4.88 135.00 127.72 3jvg n PRO 13 Ca -0.18 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.96 3jvg n PRO 13 Cb 0.54 -1.49 -0.01 0.00 -0.02 0.00 0.00 33.50 32.52 3jvg n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jvg s ALA 14 N 3.78 2.78 -0.21 3.55 0.00 -1.26 -5.07 121.76 125.32 3jvg s ALA 14 Ca 1.08 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.48 3jvg s ALA 14 Cb -1.49 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 18.43 3jvg s ALA 14 CO 0.77 -0.61 0.50 0.45 0.00 0.00 0.00 175.76 176.88 3jvg s SER 15 N -2.29 -0.66 0.17 0.00 0.15 -1.26 -5.06 113.70 104.75 3jvg s SER 15 Ca 0.67 1.10 -0.33 0.00 0.70 0.00 0.00 55.95 58.09 3jvg s SER 15 Cb -0.17 0.98 -0.15 0.00 -1.71 0.00 0.00 66.02 64.97 3jvg s SER 15 CO 0.28 -0.21 1.25 0.00 1.20 0.00 0.00 173.24 175.76 3jvg n ALA 16 N 4.29 -0.40 -0.95 5.45 0.00 -1.26 -1.51 120.51 126.13 3jvg n ALA 16 Ca -0.22 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3jvg n ALA 16 Cb 0.56 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3jvg n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jvg n GLY 17 N 2.18 0.30 3.50 0.00 0.00 0.38 -5.01 105.19 106.54 3jvg n GLY 17 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3jvg n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jvg s THR 18 N -1.71 3.75 0.41 2.61 2.01 -0.57 -5.00 115.64 117.15 3jvg s THR 18 Ca 0.00 -0.42 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 3jvg s THR 18 Cb 0.00 -2.62 -0.09 0.00 0.01 0.00 0.00 72.50 69.81 3jvg s THR 18 CO 0.00 0.52 1.31 -0.54 -0.69 0.00 0.00 174.62 175.22 3jvg s LYS 19 N 0.14 3.95 0.07 4.92 1.02 -1.26 -4.27 119.74 124.30 3jvg s LYS 19 Ca -0.02 2.17 -0.02 0.00 0.02 0.00 0.00 55.97 58.12 3jvg s LYS 19 Cb -0.14 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 3jvg s LYS 19 CO 0.03 -0.51 0.12 -1.71 -0.92 0.00 0.00 175.35 172.36 3jvg n ASN 20 N 0.11 -0.34 -3.86 2.83 2.85 0.57 -5.00 115.26 112.42 3jvg n ASN 20 Ca 0.04 -1.31 -0.18 0.00 -0.11 0.00 0.00 54.58 53.02 3jvg n ASN 20 Cb 0.43 0.59 -0.16 0.00 1.24 0.00 0.00 39.78 41.88 3jvg n ASN 20 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3jvg s VAL 21 N -2.70 0.32 -0.15 3.44 1.01 -1.26 -1.59 120.40 119.48 3jvg s VAL 21 Ca 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3jvg s VAL 21 Cb -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3jvg s VAL 21 CO 0.03 0.16 0.18 -0.22 0.00 0.00 0.00 175.10 175.26 3jvg s LEU 22 N 0.82 4.30 -0.06 3.92 2.96 0.78 -1.28 118.68 130.13 3jvg s LEU 22 Ca -0.09 0.42 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 3jvg s LEU 22 Cb -0.12 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 3jvg s LEU 22 CO -0.01 0.26 -0.25 0.20 -1.32 0.00 0.00 176.35 175.23 3jvg s ASN 23 N -0.22 3.07 -0.14 3.68 0.01 -0.16 -1.43 114.94 119.75 3jvg s ASN 23 Ca 0.13 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 3jvg s ASN 23 Cb -0.12 -0.88 0.02 0.00 0.41 0.00 0.00 41.25 40.69 3jvg s ASN 23 CO 0.02 0.24 -0.12 0.00 -1.51 0.00 0.00 177.10 175.74 3jvg s PHE 25 N 1.57 3.00 -0.12 0.00 5.36 -0.28 -0.20 117.98 127.31 3jvg s PHE 25 Ca 0.05 -1.54 -0.04 0.00 -0.96 0.00 0.00 56.93 54.44 3jvg s PHE 25 Cb -0.13 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 3jvg s PHE 25 CO -0.10 -0.73 0.04 0.00 -1.46 0.00 0.00 175.22 172.97 3jvg s ALA 26 N 1.32 3.41 0.22 11.12 0.00 -0.24 -1.60 121.76 135.99 3jvg s ALA 26 Ca 0.01 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 3jvg s ALA 26 Cb -0.16 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.29 3jvg s ALA 26 CO -0.06 0.47 0.47 0.00 0.00 0.00 0.00 175.76 176.64 3jvg s ALA 27 N -0.53 -0.50 -0.41 0.00 0.00 0.03 -1.22 121.76 119.13 3jvg s ALA 27 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3jvg s ALA 27 Cb -0.12 0.94 0.00 0.00 0.00 0.00 0.00 23.12 23.94 3jvg s ALA 27 CO 0.02 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3jvg n GLY 28 N -0.34 0.67 3.89 0.00 0.00 -0.88 -0.56 105.19 107.96 3jvg n GLY 28 Ca -0.06 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 3jvg n GLY 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3jvg s PHE 29 N -2.03 3.15 -0.29 1.61 -0.71 -1.11 -4.57 117.98 114.02 3jvg s PHE 29 Ca 0.00 -0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 55.59 3jvg s PHE 29 Cb 0.00 -1.60 0.12 0.00 -1.21 0.00 0.00 43.02 40.32 3jvg s PHE 29 CO 0.00 0.36 0.82 -1.58 -1.34 0.00 0.00 175.22 173.49 3jvg s HIS 30 N -2.14 -0.86 0.98 3.49 2.46 -0.75 -0.73 115.29 117.75 3jvg s HIS 30 Ca 0.36 1.68 -0.12 0.00 0.47 0.00 0.00 55.06 57.45 3jvg s HIS 30 Cb -0.08 0.51 0.18 0.00 -0.13 0.00 0.00 32.58 33.06 3jvg s HIS 30 CO 0.27 -0.43 1.11 -1.25 -2.47 0.00 0.00 174.74 171.97 3jvg s PRO 31 N 1.65 0.61 0.50 2.88 0.04 -1.26 -0.60 135.00 138.81 3jvg s PRO 31 Ca -0.09 0.43 0.32 0.00 0.04 0.00 0.00 61.00 61.70 3jvg s PRO 31 Cb -0.05 -1.77 1.33 0.00 0.04 0.00 0.00 34.50 34.06 3jvg s PRO 31 CO -0.18 -2.59 1.95 -1.00 0.04 0.00 0.00 177.00 175.22 3jvg h PRO 32 N -1.79 0.00 -6.44 0.56 0.13 -1.99 -3.44 132.00 119.03 3jvg h PRO 32 Ca -0.54 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.06 3jvg h PRO 32 Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.47 3jvg h PRO 32 CO 0.59 0.00 0.83 0.21 -0.23 0.00 0.00 178.00 179.40 3jvg s LYS 33 N -3.62 4.28 -0.19 0.86 2.20 -1.26 -4.97 119.74 117.05 3jvg s LYS 33 Ca 0.02 2.06 -0.28 0.00 -0.36 0.00 0.00 55.97 57.40 3jvg s LYS 33 Cb 0.09 -3.48 0.10 0.00 -1.51 0.00 0.00 37.83 33.03 3jvg s LYS 33 CO 0.51 -0.56 0.84 -1.50 -0.36 0.00 0.00 175.35 174.29 3jvg s ILE 34 N 2.03 0.00 -0.10 5.43 2.07 -1.26 -4.58 121.20 124.79 3jvg s ILE 34 Ca 0.66 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.88 3jvg s ILE 34 Cb -0.34 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.22 3jvg s ILE 34 CO 0.29 0.00 -0.05 -0.44 -1.91 0.00 0.00 174.94 172.83 3jvg s SER 35 N -0.44 4.80 -0.10 4.50 0.01 0.20 -4.97 113.70 117.71 3jvg s SER 35 Ca -0.03 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.20 3jvg s SER 35 Cb -0.03 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.80 3jvg s SER 35 CO 0.02 0.30 -0.05 -0.63 0.41 0.00 0.00 173.24 173.29 3jvg s ILE 36 N -0.43 0.79 -0.10 1.44 1.01 -1.26 -0.77 121.20 121.88 3jvg s ILE 36 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 3jvg s ILE 36 Cb -0.12 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.52 3jvg s ILE 36 CO 0.02 0.33 -0.08 -0.89 0.00 0.00 0.00 174.94 174.32 3jvg s THR 37 N 1.75 1.02 0.11 2.92 2.01 0.55 -4.96 115.64 119.04 3jvg s THR 37 Ca 0.04 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 3jvg s THR 37 Cb -0.13 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 3jvg s THR 37 CO -0.07 0.36 1.10 -0.76 -0.69 0.00 0.00 174.62 174.57 3jvg s LEU 38 N 1.55 4.43 0.03 4.42 1.43 -1.26 -0.12 118.68 129.16 3jvg s LEU 38 Ca 0.02 1.98 0.08 0.00 -1.03 0.00 0.00 54.13 55.18 3jvg s LEU 38 Cb -0.13 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 3jvg s LEU 38 CO -0.06 -0.30 -0.23 -0.04 0.23 0.00 0.00 176.35 175.95 3jvg s MET 39 N 0.33 1.62 -0.07 1.70 -1.94 0.19 -0.78 119.30 120.36 3jvg s MET 39 Ca 0.53 -0.97 0.01 0.00 -1.71 0.00 0.00 55.69 53.55 3jvg s MET 39 Cb -0.28 -1.72 0.02 0.00 2.01 0.00 0.00 34.83 34.86 3jvg s MET 39 CO 0.32 0.45 -0.09 0.21 -0.01 0.00 0.00 175.02 175.89 3jvg s LYS 40 N -1.06 1.44 -1.50 2.03 2.20 0.93 -1.03 119.74 122.75 3jvg s LYS 40 Ca 0.09 -0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.38 3jvg s LYS 40 Cb -0.09 -1.31 0.02 0.00 -1.51 0.00 0.00 37.83 34.94 3jvg s LYS 40 CO 0.01 -0.07 0.28 -0.25 -0.36 0.00 0.00 175.35 174.97 3jvg n ASP 41 N 4.14 -0.08 0.00 1.43 8.00 0.13 -1.47 116.55 128.70 3jvg n ASP 41 Ca -0.21 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.17 3jvg n ASP 41 Cb 0.51 -2.40 0.00 0.00 -0.02 0.00 0.00 41.12 39.21 3jvg n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jvg n GLY 42 N -2.15 0.74 3.32 0.44 0.00 -1.26 -5.02 105.19 101.25 3jvg n GLY 42 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 3jvg n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jvg s VAL 43 N -3.18 1.90 0.23 1.61 -7.23 -0.54 -5.11 120.40 108.08 3jvg s VAL 43 Ca 0.00 -1.60 -0.32 0.00 -1.81 0.00 0.00 61.98 58.26 3jvg s VAL 43 Cb 0.00 -1.70 -0.14 0.00 0.56 0.00 0.00 36.38 35.10 3jvg s VAL 43 CO 0.00 0.01 1.40 -2.65 -0.31 0.00 0.00 175.10 173.55 3jvg n PRO 44 N 1.07 1.97 -2.32 4.82 -0.02 -1.26 -0.05 135.00 139.21 3jvg n PRO 44 Ca -0.19 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 3jvg n PRO 44 Cb 0.53 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3jvg n PRO 44 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3jvg s MET 45 N -0.31 4.52 0.63 -0.52 -1.94 0.04 -4.71 119.30 116.99 3jvg s MET 45 Ca 0.69 1.97 -0.15 0.00 -1.71 0.00 0.00 55.69 56.50 3jvg s MET 45 Cb -0.67 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.00 3jvg s MET 45 CO 0.49 0.03 1.07 -1.21 -0.01 0.00 0.00 175.02 175.39 3jvg s GLU 46 N -1.45 3.11 -0.20 2.03 2.02 -1.26 -4.21 118.70 118.73 3jvg s GLU 46 Ca 0.47 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.69 3jvg s GLU 46 Cb -0.35 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 31.88 3jvg s GLU 46 CO 0.45 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 175.16 3jvg n GLY 47 N -0.94 0.55 3.74 -1.39 0.00 -1.26 -4.79 105.19 101.09 3jvg n GLY 47 Ca 0.09 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3jvg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvg s ALA 48 N -2.02 3.44 -0.03 4.61 0.00 -1.26 -4.53 121.76 121.97 3jvg s ALA 48 Ca 0.00 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.01 3jvg s ALA 48 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3jvg s ALA 48 CO 0.00 -0.37 -0.25 -0.65 0.00 0.00 0.00 175.76 174.49 3jvg s GLN 49 N -0.50 2.16 -0.18 0.00 -1.52 -0.18 -4.98 119.66 114.47 3jvg s GLN 49 Ca 0.52 -0.88 -0.02 0.00 -1.95 0.00 0.00 55.36 53.02 3jvg s GLN 49 Cb -0.33 -2.00 -0.01 0.00 -0.22 0.00 0.00 33.01 30.45 3jvg s GLN 49 CO 0.38 0.48 -0.09 0.71 -0.25 0.00 0.00 175.29 176.52 3jvg s TYR 50 N -0.44 2.89 0.73 0.91 1.51 -1.26 -1.82 117.35 119.88 3jvg s TYR 50 Ca 0.05 -0.89 -0.12 0.00 -1.01 0.00 0.00 57.07 55.10 3jvg s TYR 50 Cb -0.11 -1.98 0.04 0.00 -0.11 0.00 0.00 41.96 39.79 3jvg s TYR 50 CO 0.01 -0.44 1.10 -1.54 -1.11 0.00 0.00 175.55 173.57 3jvg s SER 51 N 1.01 4.67 0.29 2.29 1.04 0.05 -4.97 113.70 118.08 3jvg s SER 51 Ca -0.01 1.91 -0.29 0.00 0.48 0.00 0.00 55.95 58.04 3jvg s SER 51 Cb -0.15 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.31 3jvg s SER 51 CO -0.01 -1.92 1.32 0.47 0.98 0.00 0.00 173.24 174.07 3jvg n ASP 52 N -3.11 2.63 -4.69 7.02 8.00 -1.26 -4.75 116.55 120.39 3jvg n ASP 52 Ca 0.10 1.18 -0.44 0.00 0.71 0.00 0.00 54.79 56.34 3jvg n ASP 52 Cb 0.53 -1.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.17 3jvg n ASP 52 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3jvg n MET 53 N 1.22 2.14 -4.13 -1.24 0.00 -1.26 -4.80 117.12 109.05 3jvg n MET 53 Ca 0.08 0.76 -0.15 0.00 -0.00 0.00 0.00 57.70 58.39 3jvg n MET 53 Cb 0.34 -2.40 -0.06 0.00 0.00 0.00 0.00 33.22 31.11 3jvg n MET 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3jvg s SER 54 N 0.08 0.94 0.07 6.12 0.15 -1.03 -5.02 113.70 115.00 3jvg s SER 54 Ca 0.63 -1.49 -0.08 0.00 0.70 0.00 0.00 55.95 55.70 3jvg s SER 54 Cb -0.60 0.61 -0.00 0.00 -1.71 0.00 0.00 66.02 64.31 3jvg s SER 54 CO 0.54 -1.19 0.17 0.72 1.20 0.00 0.00 173.24 174.68 3jvg s PHE 55 N -3.31 0.16 0.55 3.44 -0.12 -1.26 -1.53 117.98 115.91 3jvg s PHE 55 Ca 0.33 -0.54 0.07 0.00 -0.05 0.00 0.00 56.93 56.74 3jvg s PHE 55 Cb 0.01 -0.08 0.07 0.00 -0.63 0.00 0.00 43.02 42.39 3jvg s PHE 55 CO 0.20 -0.49 0.76 0.54 -0.05 0.00 0.00 175.22 176.18 3jvg s ASN 56 N -2.63 5.16 0.45 1.98 2.20 -0.61 -4.91 114.94 116.58 3jvg s ASN 56 Ca 0.02 -0.63 0.27 0.00 -0.94 0.00 0.00 52.86 51.58 3jvg s ASN 56 Cb 0.03 -0.04 1.47 0.00 -2.00 0.00 0.00 41.25 40.71 3jvg s ASN 56 CO -0.09 -1.25 1.81 0.44 -2.94 0.00 0.00 177.10 175.07 3jvg h ASP 57 N 0.20 0.00 -0.52 3.54 3.32 -2.03 0.00 116.42 120.94 3jvg h ASP 57 Ca -0.34 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.57 3jvg h ASP 57 Cb 1.28 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.75 3jvg h ASP 57 CO 0.42 0.00 0.12 -0.90 -1.72 0.00 0.00 179.24 177.17 3jvg n ASP 58 N -2.50 4.08 0.00 6.45 5.68 -1.26 -4.94 116.55 124.06 3jvg n ASP 58 Ca -0.02 -3.27 0.00 0.00 -0.50 0.00 0.00 54.79 51.00 3jvg n ASP 58 Cb 0.13 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 3jvg n ASP 58 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3jvg n TRP 59 N -0.46 0.00 -2.51 2.11 7.02 -0.01 -5.01 117.44 118.57 3jvg n TRP 59 Ca 0.34 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.42 3jvg n TRP 59 Cb 1.17 -0.04 -0.04 0.00 -2.42 0.00 0.00 31.31 29.98 3jvg n TRP 59 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3jvg s THR 60 N -3.07 3.57 0.51 -0.99 -4.23 -1.26 -4.65 115.64 105.52 3jvg s THR 60 Ca 0.00 1.56 -0.13 0.00 -1.18 0.00 0.00 61.69 61.94 3jvg s THR 60 Cb 0.00 -3.98 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 3jvg s THR 60 CO 0.00 0.36 0.94 -0.36 -0.54 0.00 0.00 174.62 175.01 3jvg s PHE 61 N -1.19 3.50 0.07 3.99 0.08 0.10 -1.57 117.98 122.96 3jvg s PHE 61 Ca 0.45 1.30 -0.17 0.00 0.12 0.00 0.00 56.93 58.62 3jvg s PHE 61 Cb -0.31 -2.67 0.04 0.00 -0.57 0.00 0.00 43.02 39.50 3jvg s PHE 61 CO 0.39 -0.38 0.41 1.14 -0.10 0.00 0.00 175.22 176.68 3jvg s GLN 62 N -4.30 0.96 -0.23 0.44 -2.07 -0.58 -2.08 119.66 111.80 3jvg s GLN 62 Ca 0.56 -0.46 -0.24 0.00 -1.82 0.00 0.00 55.36 53.40 3jvg s GLN 62 Cb -0.10 0.43 0.06 0.00 -1.09 0.00 0.00 33.01 32.31 3jvg s GLN 62 CO 0.37 -0.34 0.66 0.50 -1.32 0.00 0.00 175.29 175.16 3jvg s ARG 63 N -2.86 0.80 -0.16 9.60 3.52 -0.36 -2.47 118.95 127.02 3jvg s ARG 63 Ca -0.03 0.87 -0.02 0.00 -0.13 0.00 0.00 55.73 56.42 3jvg s ARG 63 Cb 0.00 0.39 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 3jvg s ARG 63 CO -0.05 -0.11 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.07 3jvg s LEU 64 N 0.23 2.84 -0.06 -0.88 2.96 -1.26 -1.07 118.68 121.43 3jvg s LEU 64 Ca -0.01 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3jvg s LEU 64 Cb -0.04 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3jvg s LEU 64 CO 0.02 0.11 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.23 3jvg s VAL 65 N 0.70 1.96 -0.01 1.68 1.01 0.72 -0.77 120.40 125.69 3jvg s VAL 65 Ca -0.05 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 3jvg s VAL 65 Cb -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3jvg s VAL 65 CO 0.02 0.55 0.13 -1.38 0.00 0.00 0.00 175.10 174.42 3jvg s HIS 66 N -0.09 0.01 -0.07 5.22 -3.43 -0.75 0.17 115.29 116.35 3jvg s HIS 66 Ca -0.05 -0.05 -0.07 0.00 -0.80 0.00 0.00 55.06 54.09 3jvg s HIS 66 Cb -0.14 -0.03 0.02 0.00 -1.43 0.00 0.00 32.58 31.00 3jvg s HIS 66 CO 0.04 -0.24 0.21 0.00 -2.00 0.00 0.00 174.74 172.74 3jvg s ALA 67 N -1.10 -0.51 0.35 -1.38 0.00 -0.52 -1.01 121.76 117.59 3jvg s ALA 67 Ca -0.12 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.12 3jvg s ALA 67 Cb -0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 23.12 22.63 3jvg s ALA 67 CO 0.01 -0.10 1.43 -0.51 0.00 0.00 0.00 175.76 176.59 3jvg s ASP 68 N 0.05 6.50 0.19 0.00 1.01 -1.26 -0.15 116.67 123.00 3jvg s ASP 68 Ca -0.01 2.91 -0.17 0.00 0.71 0.00 0.00 52.55 55.99 3jvg s ASP 68 Cb -0.02 -2.66 0.03 0.00 1.01 0.00 0.00 42.92 41.28 3jvg s ASP 68 CO 0.00 -0.76 0.51 0.72 0.21 0.00 0.00 175.17 175.86 3jvg s PHE 69 N -1.00 -0.11 -0.33 4.23 -0.71 -0.62 -4.84 117.98 114.60 3jvg s PHE 69 Ca 0.53 -0.23 0.01 0.00 -1.04 0.00 0.00 56.93 56.19 3jvg s PHE 69 Cb -0.44 0.38 0.10 0.00 -1.21 0.00 0.00 43.02 41.85 3jvg s PHE 69 CO 0.58 -0.90 0.10 0.99 -1.34 0.00 0.00 175.22 174.64 3jvg s THR 70 N -3.87 1.25 0.34 -4.49 2.01 -1.26 -0.31 115.64 109.31 3jvg s THR 70 Ca 0.09 -1.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.10 3jvg s THR 70 Cb -0.01 -1.94 -0.11 0.00 0.01 0.00 0.00 72.50 70.46 3jvg s THR 70 CO -0.03 -0.67 1.40 -2.16 -0.69 0.00 0.00 174.62 172.47 3jvg s PRO 71 N 1.36 4.23 0.13 4.92 0.04 -1.26 -4.74 135.00 139.68 3jvg s PRO 71 Ca 0.11 2.39 0.08 0.00 0.04 0.00 0.00 61.00 63.62 3jvg s PRO 71 Cb -0.18 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3jvg s PRO 71 CO -0.19 -0.37 -0.20 -1.54 0.04 0.00 0.00 177.00 174.74 3jvg s SER 72 N -0.25 2.62 0.21 6.66 1.04 -1.26 -0.47 113.70 122.24 3jvg s SER 72 Ca 0.52 -0.76 -0.32 0.00 0.48 0.00 0.00 55.95 55.87 3jvg s SER 72 Cb -0.43 -0.15 -0.12 0.00 0.10 0.00 0.00 66.02 65.42 3jvg s SER 72 CO 0.57 0.02 1.72 -1.20 0.98 0.00 0.00 173.24 175.33 3jvg n SER 73 N 0.76 3.95 0.00 7.02 7.64 -1.26 -2.59 113.62 129.14 3jvg n SER 73 Ca -0.17 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.77 3jvg n SER 73 Cb 0.55 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 3jvg n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jvg n GLY 74 N 3.91 2.73 3.90 0.23 0.00 -1.26 -5.06 105.19 109.64 3jvg n GLY 74 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3jvg n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jvg s SER 75 N -1.44 6.49 0.03 1.61 0.01 -1.07 -5.04 113.70 114.28 3jvg s SER 75 Ca 0.00 0.67 0.07 0.00 1.31 0.00 0.00 55.95 58.00 3jvg s SER 75 Cb 0.00 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 3jvg s SER 75 CO 0.00 -0.08 -0.21 0.28 0.41 0.00 0.00 173.24 173.64 3jvg s THR 76 N -1.88 1.65 0.01 1.44 -1.32 -1.26 -4.88 115.64 109.41 3jvg s THR 76 Ca 0.43 -1.11 0.02 0.00 -1.21 0.00 0.00 61.69 59.83 3jvg s THR 76 Cb -0.11 -1.42 -0.01 0.00 -1.51 0.00 0.00 72.50 69.45 3jvg s THR 76 CO 0.26 0.28 -0.07 -0.31 -2.21 0.00 0.00 174.62 172.58 3jvg s TYR 77 N -0.71 0.62 0.19 9.09 2.02 -1.26 0.21 117.35 127.50 3jvg s TYR 77 Ca 0.08 -0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 56.38 3jvg s TYR 77 Cb -0.09 -0.38 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 3jvg s TYR 77 CO 0.01 -0.03 0.49 0.00 -1.57 0.00 0.00 175.55 174.45 3jvg s ALA 78 N -0.54 -0.83 -0.13 3.71 0.00 -0.20 -0.01 121.76 123.75 3jvg s ALA 78 Ca -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3jvg s ALA 78 Cb -0.05 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.93 3jvg s ALA 78 CO 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 175.76 174.77 3jvg s LYS 80 N 0.85 3.87 -0.09 0.00 2.20 0.83 -1.44 119.74 125.96 3jvg s LYS 80 Ca -0.07 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 3jvg s LYS 80 Cb -0.15 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 3jvg s LYS 80 CO -0.02 0.33 -0.15 0.08 -0.36 0.00 0.00 175.35 175.22 3jvg s VAL 81 N 0.21 1.46 -0.08 4.02 1.01 -0.40 -0.33 120.40 126.29 3jvg s VAL 81 Ca 0.04 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3jvg s VAL 81 Cb -0.12 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3jvg s VAL 81 CO 0.01 0.43 -0.22 -1.61 0.00 0.00 0.00 175.10 173.71 3jvg s GLU 82 N 0.79 2.86 0.02 2.72 2.02 0.05 -1.02 118.70 126.15 3jvg s GLU 82 Ca -0.11 -0.84 -0.20 0.00 0.02 0.00 0.00 54.97 53.84 3jvg s GLU 82 Cb -0.16 -2.31 0.04 0.00 0.10 0.00 0.00 34.13 31.81 3jvg s GLU 82 CO 0.02 0.30 0.46 -1.58 0.02 0.00 0.00 175.26 174.48 3jvg s HIS 83 N 0.05 -0.34 0.42 1.61 2.46 -1.26 -0.63 115.29 117.60 3jvg s HIS 83 Ca -0.09 0.41 0.40 0.00 0.47 0.00 0.00 55.06 56.25 3jvg s HIS 83 Cb -0.15 0.25 2.00 0.00 -0.13 0.00 0.00 32.58 34.55 3jvg s HIS 83 CO 0.06 -0.56 2.21 1.05 -2.47 0.00 0.00 174.74 175.02 3jvg h GLU 84 N 3.10 0.00 0.00 2.88 -0.00 -1.94 -1.35 114.58 117.27 3jvg h GLU 84 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 3jvg h GLU 84 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 3jvg h GLU 84 CO 0.42 0.00 0.00 0.25 -0.00 0.00 0.00 179.01 179.68 3jvg n THR 85 N -3.06 0.85 -4.11 -1.06 -2.24 -1.26 -4.71 114.28 98.69 3jvg n THR 85 Ca -0.02 0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.62 3jvg n THR 85 Cb 0.16 -1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 67.24 3jvg n THR 85 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jvg s LEU 86 N -3.79 3.32 0.34 3.22 1.43 -0.51 -4.98 118.68 117.71 3jvg s LEU 86 Ca 0.06 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3jvg s LEU 86 Cb 0.10 -1.84 0.61 0.00 0.03 0.00 0.00 46.19 45.09 3jvg s LEU 86 CO 0.36 0.09 1.95 0.11 0.23 0.00 0.00 176.35 179.09 3jvg h LYS 87 N 7.30 0.74 -4.37 1.70 1.79 -1.85 -3.44 116.57 118.44 3jvg h LYS 87 Ca -0.35 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 57.87 3jvg h LYS 87 Cb 1.18 -0.14 -0.15 0.00 -1.58 0.00 0.00 32.23 31.54 3jvg h LYS 87 CO 0.62 0.57 -0.67 -1.83 -1.08 0.00 0.00 179.45 177.06 3jvg s GLU 88 N -5.44 0.77 0.35 3.15 1.03 -1.26 -5.14 118.70 112.16 3jvg s GLU 88 Ca -0.09 -1.32 -0.27 0.00 0.03 0.00 0.00 54.97 53.31 3jvg s GLU 88 Cb 0.17 0.16 -0.12 0.00 -0.80 0.00 0.00 34.13 33.54 3jvg s GLU 88 CO 0.77 -0.16 1.23 -2.30 -1.33 0.00 0.00 175.26 173.48 3jvg n PRO 89 N 0.01 1.95 -4.46 -4.83 -0.02 -1.26 -4.92 135.00 121.47 3jvg n PRO 89 Ca -0.10 0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 3jvg n PRO 89 Cb 0.62 -2.26 -0.14 0.00 -0.02 0.00 0.00 33.50 31.70 3jvg n PRO 89 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3jvg s GLN 90 N -1.91 3.42 -0.29 -0.52 -1.52 -0.19 -4.91 119.66 113.76 3jvg s GLN 90 Ca 0.57 -0.64 -0.12 0.00 -1.95 0.00 0.00 55.36 53.22 3jvg s GLN 90 Cb -0.57 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.39 3jvg s GLN 90 CO 0.61 0.10 0.24 0.08 -0.25 0.00 0.00 175.29 176.06 3jvg s VAL 91 N 0.68 5.28 -0.39 1.09 1.01 -1.26 -1.27 120.40 125.54 3jvg s VAL 91 Ca -0.05 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 3jvg s VAL 91 Cb -0.15 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.69 3jvg s VAL 91 CO 0.02 0.19 0.21 -0.31 0.00 0.00 0.00 175.10 175.21 3jvg s TYR 92 N 1.82 3.29 0.40 5.22 1.51 -0.52 -4.95 117.35 124.11 3jvg s TYR 92 Ca 0.09 -1.30 -0.26 0.00 -1.01 0.00 0.00 57.07 54.59 3jvg s TYR 92 Cb -0.16 -2.62 -0.09 0.00 -0.11 0.00 0.00 41.96 38.98 3jvg s TYR 92 CO 0.11 -0.75 1.19 0.15 -1.11 0.00 0.00 175.55 175.14 3jvg s LYS 93 N 1.47 4.07 -0.10 -0.62 -0.14 -1.26 -0.89 119.74 122.26 3jvg s LYS 93 Ca 0.02 1.90 -0.30 0.00 -1.36 0.00 0.00 55.97 56.23 3jvg s LYS 93 Cb -0.21 -2.72 -0.03 0.00 -1.68 0.00 0.00 37.83 33.19 3jvg s LYS 93 CO 0.04 -0.33 1.41 -0.46 -0.76 0.00 0.00 175.35 175.25 3jvg s TRP 94 N -1.37 2.57 -0.58 3.18 -0.00 0.99 -4.90 118.94 118.84 3jvg s TRP 94 Ca 0.56 0.72 -0.25 0.00 -0.00 0.00 0.00 56.10 57.13 3jvg s TRP 94 Cb -0.32 -3.66 0.04 0.00 -0.00 0.00 0.00 33.47 29.53 3jvg s TRP 94 CO 0.41 -2.50 1.01 0.34 -0.00 0.00 0.00 176.95 176.21 3jvg s ASP 95 N 2.39 6.34 0.00 5.86 -1.08 -1.26 -4.75 116.67 124.16 3jvg s ASP 95 Ca 0.62 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 3jvg s ASP 95 Cb -0.27 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 3jvg s ASP 95 CO 0.21 -1.33 0.55 -2.65 0.52 0.00 0.00 175.17 172.48 3jvg n PRO 96 N 7.78 0.00 0.12 4.34 -0.02 -1.26 0.15 135.00 146.10 3jvg n PRO 96 Ca 0.03 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 3jvg n PRO 96 Cb 0.48 -1.51 0.21 0.00 -0.02 0.00 0.00 33.50 32.66 3jvg n PRO 96 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3jvg h GLU 97 N 0.00 0.00 -0.01 -0.52 5.08 -1.97 -3.40 114.58 113.75 3jvg h GLU 97 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jvg h GLU 97 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3jvg h GLU 97 CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20