#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvk n MET 2 N 0.00 3.16 -3.47 2.12 0.00 -1.26 -4.63 117.12 113.04 2jvk n MET 2 Ca 0.00 -2.37 -0.28 0.00 0.00 0.00 0.00 57.70 55.05 2jvk n MET 2 Cb 0.00 -3.04 -0.11 0.00 0.00 0.00 0.00 33.22 30.07 2jvk n MET 2 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2jvk s ASN 3 N 2.82 2.10 -1.03 7.83 2.47 -1.26 -5.07 114.94 122.80 2jvk s ASN 3 Ca 0.57 -2.99 -0.21 0.00 0.42 0.00 0.00 52.86 50.65 2jvk s ASN 3 Cb 0.16 -0.58 0.08 0.00 -1.45 0.00 0.00 41.25 39.46 2jvk s ASN 3 CO -0.07 -0.19 1.38 -1.83 -3.72 0.00 0.00 177.10 172.68 2jvk s GLU 4 N 0.08 3.66 0.19 0.43 1.03 -1.26 -4.40 118.70 118.43 2jvk s GLU 4 Ca 0.29 -1.49 0.05 0.00 0.03 0.00 0.00 54.97 53.85 2jvk s GLU 4 Cb -0.03 -5.23 -0.04 0.00 -0.80 0.00 0.00 34.13 28.04 2jvk s GLU 4 CO -0.15 -2.06 0.23 0.21 -1.33 0.00 0.00 175.26 172.16 2jvk s LYS 5 N 4.02 3.15 -0.04 -4.83 2.20 -1.26 -4.07 119.74 118.91 2jvk s LYS 5 Ca 0.43 -0.81 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 2jvk s LYS 5 Cb -0.01 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 2jvk s LYS 5 CO -0.07 0.47 -0.19 0.42 -0.36 0.00 0.00 175.35 175.61 2jvk s ILE 6 N -1.87 1.58 -0.11 5.43 1.01 0.16 0.40 121.20 127.81 2jvk s ILE 6 Ca 0.33 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 2jvk s ILE 6 Cb -0.10 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2jvk s ILE 6 CO 0.26 0.45 0.07 -0.76 0.00 0.00 0.00 174.94 174.97 2jvk s LEU 7 N -0.04 4.00 -0.25 2.97 1.43 -0.07 0.24 118.68 126.97 2jvk s LEU 7 Ca -0.03 0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2jvk s LEU 7 Cb -0.12 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.22 2jvk s LEU 7 CO 0.02 0.38 0.01 -0.63 0.23 0.00 0.00 176.35 176.37 2jvk s ILE 8 N -0.87 1.12 -0.44 -0.59 1.01 0.56 0.90 121.20 122.90 2jvk s ILE 8 Ca 0.13 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.41 2jvk s ILE 8 Cb -0.12 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.79 2jvk s ILE 8 CO 0.03 -0.29 0.89 -0.69 0.00 0.00 0.00 174.94 174.87 2jvk s VAL 9 N 1.56 4.54 -0.02 2.92 1.01 0.57 -0.60 120.40 130.38 2jvk s VAL 9 Ca 0.00 0.76 -0.15 0.00 0.00 0.00 0.00 61.98 62.59 2jvk s VAL 9 Cb -0.18 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 31.85 2jvk s VAL 9 CO -0.11 -0.73 0.31 -0.62 0.00 0.00 0.00 175.10 173.95 2jvk s ASP 10 N 2.15 -0.20 -0.02 3.32 2.15 0.34 -3.15 116.67 121.26 2jvk s ASP 10 Ca 0.35 0.12 0.14 0.00 0.43 0.00 0.00 52.55 53.59 2jvk s ASP 10 Cb -0.11 0.33 -0.21 0.00 -0.30 0.00 0.00 42.92 42.63 2jvk s ASP 10 CO 0.24 -0.43 0.31 -0.67 -0.17 0.00 0.00 175.17 174.45 2jvk n ASP 11 N 1.34 1.80 0.23 -0.34 2.03 -1.26 -3.42 116.55 116.93 2jvk n ASP 11 Ca -0.21 -0.03 0.16 0.00 0.52 0.00 0.00 54.79 55.22 2jvk n ASP 11 Cb 0.56 1.60 0.68 0.00 -0.72 0.00 0.00 41.12 43.24 2jvk n ASP 11 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jvk h GLN 12 N 0.00 0.00 0.00 -0.67 1.08 -1.95 -3.46 115.11 110.11 2jvk h GLN 12 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jvk h GLN 12 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2jvk h GLN 12 CO 0.00 0.00 0.00 0.98 -0.95 0.00 0.00 178.83 178.86 2jvk n TYR 13 N -2.73 0.00 -0.11 2.96 9.36 -1.26 -4.56 117.16 120.82 2jvk n TYR 13 Ca 0.01 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.10 2jvk n TYR 13 Cb 0.23 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.91 2jvk n TYR 13 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2jvk h GLY 14 N 0.00 0.87 1.00 2.98 0.00 -1.95 -2.26 103.07 103.71 2jvk h GLY 14 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2jvk h GLY 14 CO 0.00 0.76 0.28 -2.22 0.00 0.00 0.00 176.54 175.36 2jvk h ILE 15 N 0.58 1.11 -0.56 2.60 1.08 -1.97 0.41 117.51 120.76 2jvk h ILE 15 Ca 0.07 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2jvk h ILE 15 Cb 0.83 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 2jvk h ILE 15 CO 0.07 0.11 0.34 0.08 -0.69 0.00 0.00 178.15 178.06 2jvk h ARG 16 N 0.58 0.66 -0.56 2.37 0.11 -1.88 -1.14 114.38 114.52 2jvk h ARG 16 Ca 0.16 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 60.15 2jvk h ARG 16 Cb -0.06 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 30.84 2jvk h ARG 16 CO -0.03 0.44 0.16 0.82 0.10 0.00 0.00 179.97 181.46 2jvk h ILE 17 N 0.68 1.22 -0.43 0.08 1.08 -0.71 0.36 117.51 119.80 2jvk h ILE 17 Ca 0.22 -0.78 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 2jvk h ILE 17 Cb 0.00 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 2jvk h ILE 17 CO -0.09 0.30 0.24 -0.07 -0.69 0.00 0.00 178.15 177.83 2jvk h LEU 18 N 0.82 0.37 -0.19 1.44 3.38 0.96 0.51 115.31 122.60 2jvk h LEU 18 Ca 0.18 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 2jvk h LEU 18 Cb 0.26 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jvk h LEU 18 CO -0.01 0.26 -0.94 -0.07 0.09 0.00 0.00 178.44 177.77 2jvk h LEU 19 N 0.48 0.37 0.49 1.67 3.38 -1.07 -2.51 115.31 118.12 2jvk h LEU 19 Ca 0.18 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2jvk h LEU 19 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2jvk h LEU 19 CO -0.11 1.13 -0.33 0.78 0.09 0.00 0.00 178.44 180.00 2jvk h ASN 20 N 0.15 -0.86 -0.04 -0.43 2.35 0.52 0.38 115.58 117.64 2jvk h ASN 20 Ca -0.07 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 2jvk h ASN 20 Cb 1.59 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 40.21 2jvk h ASN 20 CO 0.15 -0.51 -0.27 1.05 -1.65 0.00 0.00 177.43 176.20 2jvk h GLU 21 N -0.80 0.48 0.16 0.81 4.11 -0.07 -0.57 114.58 118.70 2jvk h GLU 21 Ca -0.05 -0.19 -0.32 0.00 0.07 0.00 0.00 59.36 58.87 2jvk h GLU 21 Cb 0.67 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2jvk h GLU 21 CO 0.03 0.71 -1.55 0.28 0.07 0.00 0.00 179.01 178.55 2jvk h VAL 22 N 0.42 1.15 -0.20 -1.06 2.07 -1.34 0.32 116.25 117.62 2jvk h VAL 22 Ca 0.06 -2.73 -0.01 0.00 0.82 0.00 0.00 66.70 64.83 2jvk h VAL 22 Cb 0.69 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2jvk h VAL 22 CO 0.05 0.83 0.07 -0.26 0.02 0.00 0.00 177.57 178.29 2jvk h PHE 23 N 0.09 0.31 -0.22 1.57 0.04 -0.23 -1.75 116.94 116.75 2jvk h PHE 23 Ca -0.26 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.45 2jvk h PHE 23 Cb 2.06 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 40.11 2jvk h PHE 23 CO 0.08 0.38 0.02 -0.91 -0.60 0.00 0.00 178.31 177.29 2jvk h ASN 24 N 0.16 0.29 -0.09 2.17 -0.26 -1.12 0.44 115.58 117.16 2jvk h ASN 24 Ca 0.07 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 2jvk h ASN 24 Cb 0.21 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 2jvk h ASN 24 CO -0.00 0.33 -0.02 0.07 -1.06 0.00 0.00 177.43 176.74 2jvk h LYS 25 N 0.31 0.31 -0.88 0.81 2.10 0.09 0.49 116.57 119.81 2jvk h LYS 25 Ca 0.08 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2jvk h LYS 25 Cb 0.18 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2jvk h LYS 25 CO 0.00 0.35 0.00 0.39 -2.00 0.00 0.00 179.45 178.20 2jvk n GLU 26 N -4.34 1.62 -0.68 0.07 -0.58 -0.02 -4.79 120.64 111.91 2jvk n GLU 26 Ca 0.00 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 2jvk n GLU 26 Cb 0.21 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2jvk n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jvk n GLY 27 N 0.14 0.84 1.03 0.62 0.00 0.17 -0.11 105.19 107.89 2jvk n GLY 27 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2jvk n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jvk n TYR 28 N -2.01 -3.93 -3.99 1.61 4.02 -0.24 -4.91 117.16 107.72 2jvk n TYR 28 Ca 0.00 -0.33 -0.14 0.00 -0.01 0.00 0.00 57.90 57.42 2jvk n TYR 28 Cb 0.00 -0.27 -0.14 0.00 -0.02 0.00 0.00 39.34 38.91 2jvk n TYR 28 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2jvk s GLN 29 N -3.71 0.20 0.11 -0.72 -2.07 -1.26 -4.21 119.66 107.99 2jvk s GLN 29 Ca 0.20 -0.07 0.02 0.00 -1.82 0.00 0.00 55.36 53.69 2jvk s GLN 29 Cb -0.01 -0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.66 2jvk s GLN 29 CO 0.14 0.03 -0.07 0.95 -1.32 0.00 0.00 175.29 175.02 2jvk s THR 30 N 0.06 0.77 0.31 3.63 -4.23 -1.26 0.38 115.64 115.30 2jvk s THR 30 Ca -0.00 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 2jvk s THR 30 Cb -0.02 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 2jvk s THR 30 CO -0.00 -0.85 0.26 -0.36 -0.54 0.00 0.00 174.62 173.13 2jvk s PHE 31 N -3.54 1.68 0.04 3.99 0.40 0.14 -4.88 117.98 115.81 2jvk s PHE 31 Ca 0.12 -1.63 -0.07 0.00 -0.60 0.00 0.00 56.93 54.75 2jvk s PHE 31 Cb 0.05 -0.70 -0.00 0.00 0.51 0.00 0.00 43.02 42.87 2jvk s PHE 31 CO -0.04 -0.84 0.14 1.14 0.70 0.00 0.00 175.22 176.33 2jvk s GLN 32 N -3.54 0.65 -0.12 0.44 -2.07 -1.25 -0.32 119.66 113.44 2jvk s GLN 32 Ca 0.40 -0.73 -0.10 0.00 -1.82 0.00 0.00 55.36 53.12 2jvk s GLN 32 Cb 0.03 0.26 0.04 0.00 -1.09 0.00 0.00 33.01 32.25 2jvk s GLN 32 CO 0.26 -0.18 0.31 0.00 -1.32 0.00 0.00 175.29 174.36 2jvk s ALA 33 N -2.72 -0.77 -1.45 2.60 0.00 0.23 -4.64 121.76 115.01 2jvk s ALA 33 Ca -0.04 0.96 0.12 0.00 0.00 0.00 0.00 51.96 53.00 2jvk s ALA 33 Cb -0.00 -0.57 0.44 0.00 0.00 0.00 0.00 23.12 22.99 2jvk s ALA 33 CO -0.05 -0.17 1.31 0.00 0.00 0.00 0.00 175.76 176.86 2jvk n ALA 34 N 3.22 2.78 0.00 0.00 0.00 -1.22 0.13 120.51 125.42 2jvk n ALA 34 Ca -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2jvk n ALA 34 Cb 0.57 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2jvk n ALA 34 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jvk n ASN 35 N 0.67 0.00 0.00 0.00 5.15 -1.26 -4.40 115.26 115.41 2jvk n ASN 35 Ca 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 2jvk n ASN 35 Cb 0.55 0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.93 2jvk n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jvk n GLY 36 N -1.29 3.80 0.26 8.20 0.00 -1.26 -3.37 105.19 111.52 2jvk n GLY 36 Ca 0.00 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.54 2jvk n GLY 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jvk h LEU 37 N 0.00 0.00 0.00 0.99 3.38 -1.93 0.12 115.31 117.87 2jvk h LEU 37 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2jvk h LEU 37 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jvk h LEU 37 CO 0.00 0.00 -0.64 1.56 0.09 0.00 0.00 178.44 179.45 2jvk h GLN 38 N 0.00 0.00 -0.11 1.13 4.20 -1.94 -2.99 115.11 115.40 2jvk h GLN 38 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2jvk h GLN 38 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2jvk h GLN 38 CO 0.00 0.89 0.08 0.00 -0.67 0.00 0.00 178.83 179.13 2jvk h ALA 39 N -0.35 2.00 0.49 3.87 0.00 -1.58 -2.30 119.26 121.39 2jvk h ALA 39 Ca -0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jvk h ALA 39 Cb 1.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2jvk h ALA 39 CO -0.10 -0.14 -0.51 1.25 0.00 0.00 0.00 179.25 179.75 2jvk h LEU 40 N 0.00 -1.41 -1.37 0.00 6.46 -0.81 0.48 115.31 118.66 2jvk h LEU 40 Ca 0.05 0.11 0.09 0.00 -0.12 0.00 0.00 57.88 58.01 2jvk h LEU 40 Cb 0.22 0.47 -0.05 0.00 -0.73 0.00 0.00 40.66 40.56 2jvk h LEU 40 CO -0.00 -0.67 0.50 0.44 -0.62 0.00 0.00 178.44 178.09 2jvk h ASP 41 N -1.01 0.65 0.97 1.25 5.19 -1.32 -1.27 116.42 120.89 2jvk h ASP 41 Ca -0.06 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.28 2jvk h ASP 41 Cb 0.88 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 2jvk h ASP 41 CO -0.07 0.40 -0.39 0.40 -3.12 0.00 0.00 179.24 176.45 2jvk h ILE 42 N 0.73 0.86 -0.02 0.35 2.04 -0.81 0.35 117.51 121.01 2jvk h ILE 42 Ca 0.35 -1.64 -0.22 0.00 1.00 0.00 0.00 64.86 64.34 2jvk h ILE 42 Cb 0.39 2.02 0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2jvk h ILE 42 CO -0.13 0.39 -0.87 0.58 0.00 0.00 0.00 178.15 178.12 2jvk h VAL 43 N 0.00 1.33 -0.26 1.67 2.07 0.10 0.60 116.25 121.76 2jvk h VAL 43 Ca -0.00 -2.15 -0.09 0.00 0.82 0.00 0.00 66.70 65.27 2jvk h VAL 43 Cb 0.98 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 2jvk h VAL 43 CO 0.05 0.66 -0.22 0.74 0.02 0.00 0.00 177.57 178.81 2jvk h THR 44 N 0.24 1.26 0.11 2.57 2.02 -1.11 0.27 112.91 118.27 2jvk h THR 44 Ca -0.10 -1.21 -0.36 0.00 0.77 0.00 0.00 66.41 65.50 2jvk h THR 44 Cb 1.53 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 2jvk h THR 44 CO 0.17 0.39 -2.01 2.29 0.37 0.00 0.00 175.52 176.73 2jvk n LYS 45 N -4.14 0.74 -0.11 6.66 2.85 0.12 -4.57 118.16 119.72 2jvk n LYS 45 Ca -0.00 0.26 -0.14 0.00 -1.05 0.00 0.00 58.31 57.38 2jvk n LYS 45 Cb 0.39 -1.70 -0.12 0.00 -0.65 0.00 0.00 35.03 32.94 2jvk n LYS 45 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2jvk n GLU 46 N -3.42 0.73 -3.00 -1.58 -0.58 0.21 -5.05 120.64 107.95 2jvk n GLU 46 Ca -0.32 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.37 2jvk n GLU 46 Cb 1.05 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 30.46 2jvk n GLU 46 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jvk n ARG 47 N -3.01 -2.33 -1.34 3.49 3.00 0.96 -4.99 116.66 112.44 2jvk n ARG 47 Ca -0.38 1.99 -0.30 0.00 -0.00 0.00 0.00 57.85 59.17 2jvk n ARG 47 Cb 1.00 -4.54 0.23 0.00 0.00 0.00 0.00 32.46 29.15 2jvk n ARG 47 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2jvk n PRO 48 N -0.04 -2.48 0.00 -0.14 -0.02 -1.26 -4.86 135.00 126.20 2jvk n PRO 48 Ca 0.05 -1.85 0.08 0.00 -2.02 0.00 0.00 63.50 59.76 2jvk n PRO 48 Cb 0.45 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 32.30 2jvk n PRO 48 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2jvk n ASP 49 N -4.50 0.90 -3.62 2.55 9.92 0.16 -4.79 116.55 117.18 2jvk n ASP 49 Ca 0.16 -0.95 -0.15 0.00 -0.53 0.00 0.00 54.79 53.32 2jvk n ASP 49 Cb 0.58 0.97 -0.07 0.00 -0.64 0.00 0.00 41.12 41.96 2jvk n ASP 49 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jvk s LEU 50 N -2.80 -0.52 0.04 0.64 0.20 -0.04 -4.69 118.68 111.50 2jvk s LEU 50 Ca 0.07 1.13 0.05 0.00 0.69 0.00 0.00 54.13 56.08 2jvk s LEU 50 Cb 0.14 2.31 -0.02 0.00 -0.43 0.00 0.00 46.19 48.19 2jvk s LEU 50 CO 0.72 -0.34 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.60 2jvk s VAL 51 N -0.12 1.20 -0.08 1.68 1.01 -0.44 -0.89 120.40 122.76 2jvk s VAL 51 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2jvk s VAL 51 Cb -0.03 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2jvk s VAL 51 CO 0.03 0.02 -0.14 -0.76 0.00 0.00 0.00 175.10 174.26 2jvk s LEU 52 N -1.18 1.68 -0.08 3.92 1.02 0.26 0.83 118.68 125.12 2jvk s LEU 52 Ca 0.02 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.81 2jvk s LEU 52 Cb -0.08 -0.95 -0.03 0.00 0.02 0.00 0.00 46.19 45.15 2jvk s LEU 52 CO 0.01 0.03 -0.03 -0.76 0.02 0.00 0.00 176.35 175.63 2jvk s LEU 53 N 0.78 3.42 -0.45 1.79 1.43 0.82 -0.32 118.68 126.15 2jvk s LEU 53 Ca -0.12 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 2jvk s LEU 53 Cb -0.16 -1.77 0.09 0.00 0.03 0.00 0.00 46.19 44.38 2jvk s LEU 53 CO 0.02 0.37 0.32 -0.62 0.23 0.00 0.00 176.35 176.67 2jvk s ASP 54 N -0.84 5.79 0.00 2.29 2.15 -1.19 0.95 116.67 125.82 2jvk s ASP 54 Ca 0.13 -1.54 0.29 0.00 0.43 0.00 0.00 52.55 51.86 2jvk s ASP 54 Cb -0.11 -2.05 1.66 0.00 -0.30 0.00 0.00 42.92 42.12 2jvk s ASP 54 CO 0.02 -0.60 2.07 1.15 -0.17 0.00 0.00 175.17 177.63 2jvk n MET 55 N 5.00 0.75 -0.27 4.34 0.00 0.12 -1.35 117.12 125.71 2jvk n MET 55 Ca -0.10 0.01 0.11 0.00 0.00 0.00 0.00 57.70 57.71 2jvk n MET 55 Cb 0.43 -1.50 0.25 0.00 0.00 0.00 0.00 33.22 32.40 2jvk n MET 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2jvk n LYS 56 N -1.10 2.59 -1.52 3.17 3.00 -1.01 -4.59 118.16 118.70 2jvk n LYS 56 Ca 0.19 -2.40 -0.47 0.00 -0.00 0.00 0.00 58.31 55.64 2jvk n LYS 56 Cb 0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.65 2jvk n LYS 56 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2jvk n ILE 57 N 1.41 1.66 0.12 3.15 0.13 -0.46 -4.80 119.36 120.58 2jvk n ILE 57 Ca 0.20 -0.42 0.00 0.00 -1.10 0.00 0.00 62.75 61.44 2jvk n ILE 57 Cb 0.58 -0.61 0.00 0.00 -0.84 0.00 0.00 39.64 38.77 2jvk n ILE 57 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 2jvk n PRO 58 N 1.07 0.25 0.00 9.51 -0.02 -1.26 -4.48 135.00 140.06 2jvk n PRO 58 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2jvk n PRO 58 Cb 0.27 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2jvk n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jvk n GLY 59 N 1.21 2.59 3.24 -1.23 0.00 -1.26 -5.00 105.19 104.74 2jvk n GLY 59 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2jvk n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jvk s MET 60 N 2.50 1.37 0.46 1.61 -1.94 -1.26 -5.09 119.30 116.94 2jvk s MET 60 Ca 0.00 -0.91 -0.24 0.00 -1.71 0.00 0.00 55.69 52.83 2jvk s MET 60 Cb 0.00 -1.47 -0.09 0.00 2.01 0.00 0.00 34.83 35.28 2jvk s MET 60 CO 0.00 0.38 1.13 -0.40 -0.01 0.00 0.00 175.02 176.11 2jvk n ASP 61 N 1.90 1.78 -1.29 3.03 5.75 -1.26 -4.64 116.55 121.83 2jvk n ASP 61 Ca -0.17 1.03 -0.04 0.00 -0.01 0.00 0.00 54.79 55.59 2jvk n ASP 61 Cb 0.53 -1.43 0.10 0.00 -1.03 0.00 0.00 41.12 39.29 2jvk n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jvk n GLY 62 N 1.03 2.59 0.26 6.12 0.00 -1.22 -4.49 105.19 109.47 2jvk n GLY 62 Ca 0.09 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 2jvk n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jvk h ILE 63 N 0.79 0.56 -0.10 -0.61 5.03 -1.90 -0.66 117.51 120.61 2jvk h ILE 63 Ca 0.15 -0.19 0.03 0.00 -0.12 0.00 0.00 64.86 64.73 2jvk h ILE 63 Cb 1.45 0.65 -0.00 0.00 -3.03 0.00 0.00 36.82 35.89 2jvk h ILE 63 CO 0.32 0.03 0.14 -0.33 -0.68 0.00 0.00 178.15 177.64 2jvk h GLU 64 N -0.70 0.00 0.28 2.37 5.08 -1.99 -1.36 114.58 118.27 2jvk h GLU 64 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2jvk h GLU 64 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jvk h GLU 64 CO 0.10 0.00 -0.14 0.82 -1.00 0.00 0.00 179.01 178.79 2jvk h ILE 65 N 0.00 0.69 -0.13 3.13 1.08 -1.48 0.99 117.51 121.79 2jvk h ILE 65 Ca 0.05 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 2jvk h ILE 65 Cb 0.33 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2jvk h ILE 65 CO -0.00 0.13 -0.10 0.00 -0.69 0.00 0.00 178.15 177.49 2jvk h ALA 66 N -0.30 1.58 -0.07 1.87 0.00 -0.89 0.26 119.26 121.72 2jvk h ALA 66 Ca -0.04 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2jvk h ALA 66 Cb 0.51 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2jvk h ALA 66 CO 0.06 0.30 -0.16 -0.22 0.00 0.00 0.00 179.25 179.23 2jvk h LYS 67 N 0.20 -0.22 -0.03 0.00 1.63 -1.08 0.94 116.57 118.00 2jvk h LYS 67 Ca 0.04 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 2jvk h LYS 67 Cb 0.31 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2jvk h LYS 67 CO 0.02 -0.15 -0.53 0.00 -3.45 0.00 0.00 179.45 175.33 2jvk h ARG 68 N -0.23 0.09 0.00 1.90 3.08 0.00 -0.16 114.38 119.07 2jvk h ARG 68 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2jvk h ARG 68 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2jvk h ARG 68 CO -0.21 0.61 -0.11 -1.33 -1.07 0.00 0.00 179.97 177.86 2jvk n MET 69 N -3.91 0.16 0.10 0.04 2.81 0.85 -0.33 117.12 116.83 2jvk n MET 69 Ca -0.02 0.12 0.12 0.00 -1.81 0.00 0.00 57.70 56.11 2jvk n MET 69 Cb 0.55 -1.67 0.04 0.00 -0.71 0.00 0.00 33.22 31.43 2jvk n MET 69 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2jvk h LYS 70 N 0.00 0.00 0.00 0.03 2.10 0.14 0.13 116.57 118.97 2jvk h LYS 70 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 2jvk h LYS 70 Cb 0.65 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2jvk h LYS 70 CO 0.00 0.00 -0.51 0.28 -2.00 0.00 0.00 179.45 177.22 2jvk h VAL 71 N 0.00 1.12 0.12 0.07 2.07 -0.14 0.11 116.25 119.60 2jvk h VAL 71 Ca 0.00 -1.91 -0.36 0.00 0.82 0.00 0.00 66.70 65.25 2jvk h VAL 71 Cb 0.94 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 2jvk h VAL 71 CO 0.00 0.50 -1.99 0.00 0.02 0.00 0.00 177.57 176.10 2jvk n ILE 72 N -3.58 1.78 0.00 4.57 0.00 0.54 -4.73 119.36 117.95 2jvk n ILE 72 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 62.75 62.08 2jvk n ILE 72 Cb 0.59 -1.70 0.00 0.00 0.00 0.00 0.00 39.64 38.54 2jvk n ILE 72 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2jvk n ASP 73 N -3.46 0.15 0.00 9.51 2.03 0.43 -5.02 116.55 120.19 2jvk n ASP 73 Ca -0.31 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 54.86 2jvk n ASP 73 Cb 1.05 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 41.76 2jvk n ASP 73 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jvk n GLU 74 N -0.32 0.00 -2.67 -0.67 2.13 0.03 -4.52 120.64 114.62 2jvk n GLU 74 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2jvk n GLU 74 Cb 0.00 -1.17 0.05 0.00 0.27 0.00 0.00 31.44 30.59 2jvk n GLU 74 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jvk n ASN 75 N 0.31 -1.44 -0.98 4.31 0.23 -1.26 -2.92 115.26 113.50 2jvk n ASN 75 Ca 0.00 -1.45 -0.00 0.00 -0.53 0.00 0.00 54.58 52.59 2jvk n ASN 75 Cb 0.00 0.77 0.00 0.00 -2.08 0.00 0.00 39.78 38.47 2jvk n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jvk n ILE 76 N 2.04 0.96 -3.19 1.53 0.13 -0.90 -4.78 119.36 115.15 2jvk n ILE 76 Ca 0.07 -0.04 -0.15 0.00 -1.10 0.00 0.00 62.75 61.53 2jvk n ILE 76 Cb 0.68 -0.95 0.07 0.00 -0.84 0.00 0.00 39.64 38.60 2jvk n ILE 76 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2jvk n ARG 77 N 0.43 -5.53 -2.56 9.51 5.12 -1.12 -3.21 116.66 119.30 2jvk n ARG 77 Ca 0.01 0.68 -0.41 0.00 -1.93 0.00 0.00 57.85 56.20 2jvk n ARG 77 Cb 0.50 -5.20 -0.04 0.00 -1.16 0.00 0.00 32.46 26.56 2jvk n ARG 77 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jvk s VAL 78 N -3.28 4.10 -0.23 1.55 1.01 -1.04 -1.33 120.40 121.18 2jvk s VAL 78 Ca 0.09 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.80 2jvk s VAL 78 Cb -0.04 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.28 2jvk s VAL 78 CO 0.58 0.25 -0.13 -0.63 0.00 0.00 0.00 175.10 175.17 2jvk s ILE 79 N 0.13 2.29 -0.16 2.22 1.09 0.24 0.13 121.20 127.15 2jvk s ILE 79 Ca 0.51 -1.24 -0.07 0.00 -1.10 0.00 0.00 60.65 58.74 2jvk s ILE 79 Cb -0.28 -2.17 -0.04 0.00 -1.06 0.00 0.00 42.46 38.91 2jvk s ILE 79 CO 0.32 0.23 0.09 -0.51 -0.10 0.00 0.00 174.94 174.97 2jvk s ILE 80 N 1.22 5.04 -0.13 2.92 2.07 -0.46 -0.13 121.20 131.74 2jvk s ILE 80 Ca -0.02 0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 2jvk s ILE 80 Cb -0.17 -3.24 -0.03 0.00 0.13 0.00 0.00 42.46 39.15 2jvk s ILE 80 CO -0.08 0.51 0.02 -0.04 -1.91 0.00 0.00 174.94 173.45 2jvk s MET 81 N -0.13 3.41 0.28 3.50 -1.94 0.27 0.60 119.30 125.30 2jvk s MET 81 Ca 0.08 -0.39 0.04 0.00 -1.71 0.00 0.00 55.69 53.72 2jvk s MET 81 Cb -0.12 -2.96 -0.06 0.00 2.01 0.00 0.00 34.83 33.70 2jvk s MET 81 CO 0.01 0.51 0.03 0.95 -0.01 0.00 0.00 175.02 176.51 2jvk s THR 82 N -0.35 1.14 -0.36 2.05 -4.23 -0.33 0.11 115.64 113.66 2jvk s THR 82 Ca 0.08 -2.03 -0.28 0.00 -1.18 0.00 0.00 61.69 58.28 2jvk s THR 82 Cb -0.12 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 2jvk s THR 82 CO 0.02 -0.14 1.97 0.00 -0.54 0.00 0.00 174.62 175.93 2jvk s ALA 83 N -3.34 2.60 -0.67 3.99 0.00 -1.26 0.17 121.76 123.24 2jvk s ALA 83 Ca 0.33 0.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 2jvk s ALA 83 Cb 0.07 -4.11 -0.15 0.00 0.00 0.00 0.00 23.12 18.93 2jvk s ALA 83 CO 0.13 -3.05 1.87 2.48 0.00 0.00 0.00 175.76 177.19 2jvk n TYR 84 N 11.57 0.44 0.00 0.00 4.11 -1.26 0.83 117.16 132.85 2jvk n TYR 84 Ca 0.26 0.30 0.00 0.00 -0.00 0.00 0.00 57.90 58.45 2jvk n TYR 84 Cb 0.48 -1.68 0.00 0.00 -0.00 0.00 0.00 39.34 38.14 2jvk n TYR 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2jvk n GLY 85 N 4.68 1.40 0.00 -7.48 0.00 -1.26 -5.01 105.19 97.51 2jvk n GLY 85 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2jvk n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jvk n GLU 86 N -0.47 0.00 -3.40 1.61 2.13 0.24 -4.97 120.64 115.79 2jvk n GLU 86 Ca 0.00 0.17 -0.15 0.00 0.66 0.00 0.00 57.16 57.84 2jvk n GLU 86 Cb 0.00 -1.09 0.02 0.00 0.27 0.00 0.00 31.44 30.64 2jvk n GLU 86 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2jvk n LEU 87 N -1.01 -4.60 -4.51 4.31 4.32 -1.26 -4.97 117.00 109.29 2jvk n LEU 87 Ca 0.00 -0.59 -0.38 0.00 -0.02 0.00 0.00 56.01 55.02 2jvk n LEU 87 Cb 0.00 -2.71 -0.12 0.00 -1.62 0.00 0.00 43.42 38.97 2jvk n LEU 87 CO 0.00 -0.23 -0.21 -0.62 -1.22 0.00 0.00 177.39 175.10 2jvk s ASP 88 N -3.17 5.62 -0.14 -1.43 -1.08 -1.26 -3.98 116.67 111.24 2jvk s ASP 88 Ca 0.19 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 2jvk s ASP 88 Cb -0.05 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 2jvk s ASP 88 CO 0.81 -0.09 0.00 0.80 0.52 0.00 0.00 175.17 177.21 2jvk n MET 89 N 5.00 -1.10 -0.05 4.34 0.00 -1.26 -4.88 117.12 119.18 2jvk n MET 89 Ca -0.15 0.35 -0.00 0.00 0.00 0.00 0.00 57.70 57.91 2jvk n MET 89 Cb 0.51 -4.22 0.29 0.00 0.00 0.00 0.00 33.22 29.80 2jvk n MET 89 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 2jvk h ILE 90 N 0.00 1.19 0.04 1.12 -0.00 -1.96 -2.33 117.51 115.57 2jvk h ILE 90 Ca -0.03 -0.66 -0.00 0.00 -0.00 0.00 0.00 64.86 64.17 2jvk h ILE 90 Cb 0.59 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 2jvk h ILE 90 CO 0.04 0.24 -0.02 1.56 -0.00 0.00 0.00 178.15 179.97 2jvk h GLN 91 N 0.62 -0.05 -0.53 2.19 4.20 -1.90 0.32 115.11 119.96 2jvk h GLN 91 Ca 0.14 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.88 2jvk h GLN 91 Cb 0.22 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2jvk h GLN 91 CO -0.00 0.38 0.33 1.05 -0.67 0.00 0.00 178.83 179.91 2jvk h GLU 92 N -0.50 0.64 -0.85 1.46 9.09 -1.99 -1.86 114.58 120.58 2jvk h GLU 92 Ca -0.01 -0.04 0.03 0.00 0.05 0.00 0.00 59.36 59.40 2jvk h GLU 92 Cb 0.45 -0.15 -0.05 0.00 -1.65 0.00 0.00 28.75 27.36 2jvk h GLU 92 CO 0.01 0.43 0.55 1.03 0.05 0.00 0.00 179.01 181.07 2jvk h SER 93 N 0.66 0.91 0.56 3.06 0.87 -1.15 0.11 113.55 118.56 2jvk h SER 93 Ca 0.21 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.61 2jvk h SER 93 Cb -0.01 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2jvk h SER 93 CO -0.08 0.63 -0.70 0.07 -0.53 0.00 0.00 176.83 176.21 2jvk h LYS 94 N 1.06 0.12 0.00 2.24 2.10 -0.04 -2.56 116.57 119.50 2jvk h LYS 94 Ca 0.34 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2jvk h LYS 94 Cb 0.00 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2jvk h LYS 94 CO -0.11 0.78 -0.17 1.05 -2.00 0.00 0.00 179.45 178.99 2jvk h GLU 95 N 0.08 0.00 -3.06 0.07 4.11 -1.06 -3.16 114.58 111.56 2jvk h GLU 95 Ca -0.02 0.00 -0.73 0.00 0.07 0.00 0.00 59.36 58.68 2jvk h GLU 95 Cb 1.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 2jvk h GLU 95 CO 0.10 0.00 2.64 1.28 0.07 0.00 0.00 179.01 183.10 2jvk n LEU 96 N -2.43 7.69 0.00 3.06 4.32 0.34 -4.53 117.00 125.44 2jvk n LEU 96 Ca 0.04 -4.66 0.00 0.00 -0.02 0.00 0.00 56.01 51.38 2jvk n LEU 96 Cb 0.46 -1.46 0.00 0.00 -1.62 0.00 0.00 43.42 40.80 2jvk n LEU 96 CO 0.33 1.79 0.00 0.61 -1.22 0.00 0.00 177.39 178.89 2jvk n GLY 97 N 2.58 0.80 3.83 -0.72 0.00 -1.15 -3.98 105.19 106.55 2jvk n GLY 97 Ca 0.58 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.22 2jvk n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jvk s ALA 98 N -3.21 3.67 0.06 4.61 0.00 -1.20 -2.12 121.76 123.58 2jvk s ALA 98 Ca 0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 2jvk s ALA 98 Cb 0.00 -2.44 -0.13 0.00 0.00 0.00 0.00 23.12 20.55 2jvk s ALA 98 CO 0.00 0.47 1.55 -0.07 0.00 0.00 0.00 175.76 177.71 2jvk h LEU 99 N 4.60 0.16 0.00 0.00 3.38 0.87 -3.42 115.31 120.90 2jvk h LEU 99 Ca -0.51 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2jvk h LEU 99 Cb 1.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2jvk h LEU 99 CO 0.62 0.34 0.00 1.07 0.09 0.00 0.00 178.44 180.56 2jvk n THR 100 N -4.88 0.00 -4.43 0.22 5.66 -0.59 -5.00 114.28 105.26 2jvk n THR 100 Ca -0.06 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.72 2jvk n THR 100 Cb 0.15 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.83 2jvk n THR 100 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2jvk s HIS 101 N -2.19 2.06 0.00 1.09 -3.43 -1.26 -1.36 115.29 110.20 2jvk s HIS 101 Ca 0.00 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 53.78 2jvk s HIS 101 Cb 0.00 -0.98 0.00 0.00 -1.43 0.00 0.00 32.58 30.17 2jvk s HIS 101 CO 0.00 0.53 0.00 0.34 -2.00 0.00 0.00 174.74 173.61 2jvk n PHE 102 N -0.55 0.00 -4.51 0.38 7.35 0.20 -4.77 117.46 115.56 2jvk n PHE 102 Ca -0.06 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.37 2jvk n PHE 102 Cb 0.61 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.30 2jvk n PHE 102 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jvk s ALA 103 N -2.00 1.90 0.19 3.13 0.00 -1.26 -1.19 121.76 122.53 2jvk s ALA 103 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 2jvk s ALA 103 Cb 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 23.12 22.90 2jvk s ALA 103 CO 0.00 0.41 1.76 -0.22 0.00 0.00 0.00 175.76 177.72 2jvk h LYS 104 N 4.45 0.96 -0.34 0.00 3.11 -0.52 -2.42 116.57 121.81 2jvk h LYS 104 Ca -0.45 -0.15 0.05 0.00 -2.81 0.00 0.00 60.65 57.28 2jvk h LYS 104 Cb 1.17 -0.17 -0.08 0.00 -1.00 0.00 0.00 32.23 32.15 2jvk h LYS 104 CO 0.42 0.78 -0.53 -1.35 -2.81 0.00 0.00 179.45 175.95 2jvk h PRO 105 N 0.92 -0.42 0.00 1.90 0.11 -1.96 -3.48 132.00 129.07 2jvk h PRO 105 Ca 0.22 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2jvk h PRO 105 Cb 0.15 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2jvk h PRO 105 CO -0.02 -0.28 0.00 1.97 -0.21 0.00 0.00 178.00 179.46 2jvk n PHE 106 N -5.40 -0.69 -4.07 0.65 1.16 -0.91 -4.90 117.46 103.31 2jvk n PHE 106 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.42 2jvk n PHE 106 Cb 0.35 0.02 -0.11 0.00 -1.61 0.00 0.00 39.48 38.13 2jvk n PHE 106 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2jvk s ASP 107 N -4.00 0.86 -0.03 5.98 2.15 -1.26 -5.04 116.67 115.32 2jvk s ASP 107 Ca 0.00 -0.59 -0.15 0.00 0.43 0.00 0.00 52.55 52.23 2jvk s ASP 107 Cb 0.00 0.04 -0.08 0.00 -0.30 0.00 0.00 42.92 42.58 2jvk s ASP 107 CO 0.00 -0.23 0.64 0.40 -0.17 0.00 0.00 175.17 175.81 2jvk h ILE 108 N 4.35 0.00 -0.80 4.11 1.08 -1.98 0.46 117.51 124.73 2jvk h ILE 108 Ca -0.36 -0.58 0.05 0.00 -0.39 0.00 0.00 64.86 63.59 2jvk h ILE 108 Cb 1.20 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 2jvk h ILE 108 CO 0.43 0.00 0.53 -0.78 -0.69 0.00 0.00 178.15 177.64 2jvk h ASP 109 N -1.13 0.81 1.57 1.72 1.82 -1.99 -0.73 116.42 118.50 2jvk h ASP 109 Ca -0.06 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2jvk h ASP 109 Cb 0.42 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2jvk h ASP 109 CO 0.09 0.54 0.00 -0.08 -1.61 0.00 0.00 179.24 178.19 2jvk h GLU 110 N 0.93 0.00 0.12 0.28 4.81 -1.97 -0.27 114.58 118.49 2jvk h GLU 110 Ca 0.33 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.36 2jvk h GLU 110 Cb 0.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jvk h GLU 110 CO -0.11 0.00 -0.97 0.97 -0.73 0.00 0.00 179.01 178.17 2jvk h ILE 111 N 0.00 1.36 -0.46 2.32 -0.00 0.55 -1.15 117.51 120.14 2jvk h ILE 111 Ca 0.00 -2.48 -0.11 0.00 -0.00 0.00 0.00 64.86 62.27 2jvk h ILE 111 Cb 0.79 3.04 -0.02 0.00 -0.00 0.00 0.00 36.82 40.63 2jvk h ILE 111 CO 0.00 0.70 -0.15 0.08 -0.00 0.00 0.00 178.15 178.78 2jvk h ARG 112 N -0.40 0.86 -0.15 2.19 0.11 -1.32 -2.21 114.38 113.46 2jvk h ARG 112 Ca -0.19 -0.32 -0.02 0.00 0.10 0.00 0.00 59.98 59.55 2jvk h ARG 112 Cb 1.64 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.66 2jvk h ARG 112 CO 0.11 0.95 0.02 0.22 0.10 0.00 0.00 179.97 181.37 2jvk h ASP 113 N 0.77 0.25 0.33 0.08 3.58 -1.11 0.14 116.42 120.45 2jvk h ASP 113 Ca 0.12 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 2jvk h ASP 113 Cb 0.67 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2jvk h ASP 113 CO 0.05 0.45 -0.16 0.00 -2.88 0.00 0.00 179.24 176.70 2jvk h ALA 114 N 0.81 -0.44 0.00 -0.78 0.00 -1.18 -2.11 119.26 115.56 2jvk h ALA 114 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jvk h ALA 114 Cb 0.31 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jvk h ALA 114 CO 0.00 -0.70 0.00 -0.39 0.00 0.00 0.00 179.25 178.16 2jvk h VAL 115 N -0.53 0.00 0.00 0.00 -1.51 -1.40 -0.86 116.25 111.96 2jvk h VAL 115 Ca -0.05 -0.49 -0.14 0.00 -1.23 0.00 0.00 66.70 64.80 2jvk h VAL 115 Cb 0.39 1.43 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 2jvk h VAL 115 CO 0.07 0.00 -0.65 0.07 -1.23 0.00 0.00 177.57 175.83 2jvk h LYS 116 N 0.00 0.00 0.00 5.19 2.10 -0.72 0.55 116.57 123.68 2jvk h LYS 116 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jvk h LYS 116 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2jvk h LYS 116 CO 0.00 0.65 -0.49 1.63 -2.00 0.00 0.00 179.45 179.24 2jvk n LYS 117 N -3.50 0.28 -0.02 0.07 4.76 -0.58 -2.92 118.16 116.24 2jvk n LYS 117 Ca -0.00 0.11 -0.01 0.00 -2.87 0.00 0.00 58.31 55.54 2jvk n LYS 117 Cb 0.71 -1.71 -0.00 0.00 -1.84 0.00 0.00 35.03 32.18 2jvk n LYS 117 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2jvk h TYR 118 N 0.00 0.00 -3.37 2.13 0.05 -1.02 -3.44 116.97 111.32 2jvk h TYR 118 Ca 0.00 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 58.03 2jvk h TYR 118 Cb 0.74 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.20 2jvk h TYR 118 CO 0.00 0.00 -0.23 -1.17 -1.05 0.00 0.00 178.16 175.71 2jvk s LEU 119 N -5.78 6.05 -0.24 3.88 2.96 0.19 -5.06 118.68 120.68 2jvk s LEU 119 Ca -0.04 -2.13 -0.11 0.00 -0.22 0.00 0.00 54.13 51.63 2jvk s LEU 119 Cb 0.01 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2jvk s LEU 119 CO 0.06 -0.69 0.18 -2.16 -1.32 0.00 0.00 176.35 172.42 2jvk s PRO 120 N 1.04 4.06 0.00 0.98 0.04 -1.15 -4.14 135.00 135.84 2jvk s PRO 120 Ca 0.09 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2jvk s PRO 120 Cb -0.23 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2jvk s PRO 120 CO -0.02 0.02 0.00 1.47 0.04 0.00 0.00 177.00 178.52 2jvk n LEU 121 N 4.40 0.13 0.00 -3.56 -0.00 -1.26 -5.08 117.00 111.63 2jvk n LEU 121 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2jvk n LEU 121 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2jvk n LEU 121 CO 0.35 0.02 0.00 0.29 -0.00 0.00 0.00 177.39 178.05 2jvk n LYS 122 N -1.40 0.00 -0.28 1.47 5.02 -1.26 -5.02 118.16 116.69 2jvk n LYS 122 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2jvk n LYS 122 Cb 0.03 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.03 2jvk n LYS 122 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jvk n SER 123 N -1.68 -3.89 -4.01 4.39 3.41 0.85 -3.21 113.62 109.48 2jvk n SER 123 Ca 0.00 0.30 -0.40 0.00 -0.26 0.00 0.00 58.87 58.51 2jvk n SER 123 Cb 0.00 -0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 62.99 2jvk n SER 123 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jvk n ASN 124 N -3.76 3.51 0.07 4.04 5.15 -1.26 -3.53 115.26 119.48 2jvk n ASN 124 Ca 0.00 -2.78 0.00 0.00 -0.60 0.00 0.00 54.58 51.20 2jvk n ASN 124 Cb 0.13 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 37.86 2jvk n ASN 124 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2jvk n LEU 125 N 8.44 -0.90 -0.13 1.20 7.94 -1.23 -4.83 117.00 127.48 2jvk n LEU 125 Ca 0.49 0.26 -0.12 0.00 -1.11 0.00 0.00 56.01 55.54 2jvk n LEU 125 Cb 0.42 1.06 -0.02 0.00 0.53 0.00 0.00 43.42 45.41 2jvk n LEU 125 CO 0.88 -0.38 0.62 -0.33 -1.11 0.00 0.00 177.39 177.07 2jvk h GLU 126 N 0.00 0.90 -5.19 1.96 4.39 -1.59 -3.40 114.58 111.65 2jvk h GLU 126 Ca 0.00 -0.42 -0.66 0.00 0.34 0.00 0.00 59.36 58.61 2jvk h GLU 126 Cb 0.00 -0.01 -0.30 0.00 -0.10 0.00 0.00 28.75 28.34 2jvk h GLU 126 CO 0.00 1.07 -0.79 -3.38 -1.16 0.00 0.00 179.01 174.75 2jvk s HIS 127 N -4.55 2.80 -0.07 4.33 -3.43 -1.25 -5.10 115.29 108.01 2jvk s HIS 127 Ca -0.12 -1.00 -0.03 0.00 -0.80 0.00 0.00 55.06 53.12 2jvk s HIS 127 Cb 0.11 -1.90 0.04 0.00 -1.43 0.00 0.00 32.58 29.40 2jvk s HIS 127 CO 0.86 -0.46 0.09 -3.38 -2.00 0.00 0.00 174.74 169.86 2jvk s HIS 128 N 0.82 0.00 -1.88 0.38 -3.43 -1.26 -4.24 115.29 105.69 2jvk s HIS 128 Ca -0.05 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.50 2jvk s HIS 128 Cb -0.15 -0.44 0.00 0.00 -1.43 0.00 0.00 32.58 30.55 2jvk s HIS 128 CO -0.00 -0.26 0.00 1.58 -2.00 0.00 0.00 174.74 174.06 2jvk n HIS 129 N 5.30 -0.51 -2.67 0.38 -0.00 -1.26 -4.95 115.22 111.52 2jvk n HIS 129 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.27 2jvk n HIS 129 Cb 0.50 -3.58 -0.04 0.00 -0.00 0.00 0.00 29.99 26.86 2jvk n HIS 129 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jvk s HIS 130 N -2.87 3.76 0.13 1.57 5.04 -1.26 -4.95 115.29 116.71 2jvk s HIS 130 Ca 0.00 1.75 -0.21 0.00 -1.54 0.00 0.00 55.06 55.06 2jvk s HIS 130 Cb 0.00 -3.11 -0.03 0.00 0.04 0.00 0.00 32.58 29.48 2jvk s HIS 130 CO 0.00 -0.01 1.69 1.25 -2.34 0.00 0.00 174.74 175.33 2jvk h HIS 131 N 5.35 -0.18 0.00 3.88 -0.00 -2.03 -3.53 115.15 118.63 2jvk h HIS 131 Ca -0.43 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 2jvk h HIS 131 Cb 1.21 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 2jvk h HIS 131 CO 0.64 -0.13 0.00 1.58 -0.00 0.00 0.00 177.93 180.02