#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvr n MET 1 N 0.00 0.00 -3.17 -1.40 0.00 -1.26 -4.32 117.12 106.97 1jvr n MET 1 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.48 1jvr n MET 1 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 1jvr n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jvr n GLY 2 N 0.00 2.33 4.00 -5.12 0.00 -1.26 -5.12 105.19 100.02 1jvr n GLY 2 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 1jvr n GLY 2 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jvr s GLN 3 N -0.71 2.74 0.20 1.61 -0.44 -1.26 -5.14 119.66 116.66 1jvr s GLN 3 Ca 0.34 -1.32 0.04 0.00 -2.50 0.00 0.00 55.36 51.91 1jvr s GLN 3 Cb 0.15 -2.70 -0.01 0.00 -1.64 0.00 0.00 33.01 28.81 1jvr s GLN 3 CO -0.14 -0.32 0.13 0.44 0.50 0.00 0.00 175.29 175.90 1jvr n ILE 4 N -1.85 0.00 0.00 -2.34 -0.00 -1.26 -4.91 119.36 108.99 1jvr n ILE 4 Ca 0.08 -1.35 0.00 0.00 -0.00 0.00 0.00 62.75 61.48 1jvr n ILE 4 Cb 0.60 0.60 0.00 0.00 -0.00 0.00 0.00 39.64 40.84 1jvr n ILE 4 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1jvr n HIS 5 N -0.42 0.00 0.00 4.28 8.25 -1.26 -4.83 115.22 121.25 1jvr n HIS 5 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1jvr n HIS 5 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1jvr n HIS 5 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jvr n GLY 6 N 0.00 0.97 2.47 -1.41 0.00 -1.26 -4.54 105.19 101.42 1jvr n GLY 6 Ca 0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1jvr n GLY 6 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jvr n LEU 7 N 0.00 2.42 -4.61 0.99 0.00 -1.26 -5.07 117.00 109.47 1jvr n LEU 7 Ca 0.00 -5.24 -0.42 0.00 0.00 0.00 0.00 56.01 50.34 1jvr n LEU 7 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 43.42 43.41 1jvr n LEU 7 CO 0.00 2.22 0.68 -0.44 0.00 0.00 0.00 177.39 179.85 1jvr s SER 8 N -2.51 6.71 0.10 1.96 0.01 -1.26 -4.92 113.70 113.78 1jvr s SER 8 Ca 0.42 0.70 -0.11 0.00 1.31 0.00 0.00 55.95 58.27 1jvr s SER 8 Cb 0.25 -2.44 -0.16 0.00 0.21 0.00 0.00 66.02 63.88 1jvr s SER 8 CO -0.09 -0.70 1.26 1.55 0.41 0.00 0.00 173.24 175.67 1jvr h PRO 9 N 8.19 0.65 -7.24 12.44 0.13 -1.96 -3.46 132.00 140.75 1jvr h PRO 9 Ca -0.23 -0.64 -0.52 0.00 -0.87 0.00 0.00 66.00 63.74 1jvr h PRO 9 Cb 1.09 0.16 0.17 0.00 0.13 0.00 0.00 31.00 32.55 1jvr h PRO 9 CO 0.93 1.24 0.31 0.95 -0.23 0.00 0.00 178.00 181.19 1jvr s THR 10 N -3.46 2.45 -1.25 1.56 -4.23 -1.26 -4.89 115.64 104.56 1jvr s THR 10 Ca -0.09 0.17 0.22 0.00 -1.18 0.00 0.00 61.69 60.82 1jvr s THR 10 Cb 0.08 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.73 1jvr s THR 10 CO 0.90 -0.16 1.72 -0.81 -0.54 0.00 0.00 174.62 175.73 1jvr n PRO 11 N -3.48 0.18 0.00 3.99 -0.04 -1.26 -4.79 135.00 129.61 1jvr n PRO 11 Ca 0.12 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1jvr n PRO 11 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1jvr n PRO 11 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1jvr n ILE 12 N -1.38 0.00 -1.13 0.52 5.41 -1.26 -5.15 119.36 116.38 1jvr n ILE 12 Ca 0.08 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.69 1jvr n ILE 12 Cb 0.21 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.26 1jvr n ILE 12 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1jvr n PRO 13 N 0.00 -1.34 -4.08 0.38 -0.04 -1.26 -5.07 135.00 123.59 1jvr n PRO 13 Ca 0.00 -0.96 -0.29 0.00 -0.04 0.00 0.00 63.50 62.22 1jvr n PRO 13 Cb 0.00 -0.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 1jvr n PRO 13 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1jvr s LYS 14 N -4.35 2.82 -0.51 0.54 0.00 -1.26 -4.62 119.74 112.36 1jvr s LYS 14 Ca 0.37 -0.79 0.06 0.00 0.00 0.00 0.00 55.97 55.62 1jvr s LYS 14 Cb -0.02 -2.66 0.21 0.00 0.00 0.00 0.00 37.83 35.36 1jvr s LYS 14 CO 0.27 0.53 0.80 0.00 0.00 0.00 0.00 175.35 176.95 1jvr n ALA 15 N 0.20 -1.75 -1.16 0.59 0.00 -1.26 -5.12 120.51 112.01 1jvr n ALA 15 Ca -0.09 -1.15 -0.07 0.00 0.00 0.00 0.00 53.44 52.14 1jvr n ALA 15 Cb 0.53 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.58 1jvr n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 16 N 2.44 -1.07 -0.71 0.00 -0.04 -1.26 -4.93 135.00 129.43 1jvr n PRO 16 Ca 0.14 -0.63 0.10 0.00 -0.04 0.00 0.00 63.50 63.07 1jvr n PRO 16 Cb 0.59 -0.50 -0.02 0.00 -0.04 0.00 0.00 33.50 33.53 1jvr n PRO 16 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jvr n ARG 17 N -2.27 -1.43 0.00 0.54 5.12 -1.26 -5.02 116.66 112.34 1jvr n ARG 17 Ca 0.05 0.95 0.00 0.00 -1.93 0.00 0.00 57.85 56.92 1jvr n ARG 17 Cb 0.19 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 29.75 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jvr n GLY 18 N -2.62 -0.09 2.84 -0.13 0.00 -1.26 -4.64 105.19 99.28 1jvr n GLY 18 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jvr n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jvr s LEU 19 N 0.00 -0.43 0.00 0.99 2.96 -1.26 -4.76 118.68 116.19 1jvr s LEU 19 Ca 0.00 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 1jvr s LEU 19 Cb 0.00 0.81 0.00 0.00 0.50 0.00 0.00 46.19 47.50 1jvr s LEU 19 CO 0.00 -0.32 0.00 -1.54 -1.32 0.00 0.00 176.35 173.17 1jvr n SER 20 N 5.34 0.00 -0.67 3.68 3.41 -1.26 -5.01 113.62 119.11 1jvr n SER 20 Ca -0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1jvr n SER 20 Cb 0.50 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1jvr n SER 20 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1jvr n THR 21 N -0.91 0.00 -0.04 6.66 5.66 -1.26 -4.64 114.28 119.74 1jvr n THR 21 Ca 0.00 -0.12 -0.03 0.00 -3.05 0.00 0.00 64.05 60.85 1jvr n THR 21 Cb 0.00 0.38 -0.09 0.00 -1.55 0.00 0.00 70.33 69.07 1jvr n THR 21 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jvr n HIS 22 N 0.06 0.00 -0.05 1.09 -0.00 -1.26 -4.02 115.22 111.04 1jvr n HIS 22 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.64 1jvr n HIS 22 Cb 0.68 -0.49 -0.07 0.00 -0.00 0.00 0.00 29.99 30.11 1jvr n HIS 22 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1jvr n HIS 23 N -2.30 0.00 -0.03 -1.40 -0.00 -1.26 -4.43 115.22 105.80 1jvr n HIS 23 Ca -0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.41 1jvr n HIS 23 Cb 0.74 -0.50 -0.08 0.00 -0.00 0.00 0.00 29.99 30.15 1jvr n HIS 23 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.34 178.69 1jvr h TRP 24 N 0.00 0.75 -0.36 1.57 2.91 -1.83 -2.82 115.95 116.17 1jvr h TRP 24 Ca -0.28 -0.33 0.10 0.00 1.13 0.00 0.00 58.89 59.51 1jvr h TRP 24 Cb 1.57 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 30.09 1jvr h TRP 24 CO 0.00 1.12 0.42 1.25 -1.03 0.00 0.00 178.44 180.20 1jvr h LEU 25 N 0.17 0.00 -0.70 0.65 5.85 -1.81 1.59 115.31 121.06 1jvr h LEU 25 Ca -0.04 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1jvr h LEU 25 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1jvr h LEU 25 CO 0.11 0.00 -0.48 -1.13 -0.34 0.00 0.00 178.44 176.60 1jvr h ASN 26 N 0.00 0.00 0.15 1.25 -1.24 -1.71 -2.64 115.58 111.38 1jvr h ASN 26 Ca 0.17 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.82 1jvr h ASN 26 Cb 1.01 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.02 1jvr h ASN 26 CO -0.00 0.48 -2.07 0.33 -1.29 0.00 0.00 177.43 174.89 1jvr n PHE 27 N -3.53 0.94 0.27 0.67 -0.00 0.48 -3.63 117.46 112.67 1jvr n PHE 27 Ca -0.00 0.22 0.12 0.00 -0.00 0.00 0.00 57.45 57.79 1jvr n PHE 27 Cb 0.59 -1.13 0.57 0.00 -0.00 0.00 0.00 39.48 39.51 1jvr n PHE 27 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jvr h LEU 28 N 0.05 0.00 0.00 -2.13 5.85 0.19 -0.49 115.31 118.77 1jvr h LEU 28 Ca -0.44 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1jvr h LEU 28 Cb 2.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.04 1jvr h LEU 28 CO 0.05 0.00 -0.25 -0.61 -0.34 0.00 0.00 178.44 177.29 1jvr h GLN 29 N 0.00 0.00 -0.96 1.25 4.15 -1.59 -2.99 115.11 114.97 1jvr h GLN 29 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1jvr h GLN 29 Cb 0.18 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 1jvr h GLN 29 CO 0.00 0.32 0.62 0.00 -1.93 0.00 0.00 178.83 177.84 1jvr h ALA 30 N -0.74 1.44 -0.09 3.38 0.00 -1.56 0.20 119.26 121.89 1jvr h ALA 30 Ca -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1jvr h ALA 30 Cb 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jvr h ALA 30 CO -0.02 0.42 -0.10 0.00 0.00 0.00 0.00 179.25 179.54 1jvr h ALA 31 N 1.48 1.67 0.00 0.00 0.00 -1.24 0.29 119.26 121.45 1jvr h ALA 31 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jvr h ALA 31 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jvr h ALA 31 CO -0.16 0.25 0.00 0.98 0.00 0.00 0.00 179.25 180.32 1jvr n TYR 32 N -4.35 0.65 0.74 0.00 9.36 0.61 -2.62 117.16 121.55 1jvr n TYR 32 Ca -0.01 0.20 0.12 0.00 3.32 0.00 0.00 57.90 61.52 1jvr n TYR 32 Cb 0.22 -0.83 0.11 0.00 -0.63 0.00 0.00 39.34 38.22 1jvr n TYR 32 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1jvr n ARG 33 N -2.04 0.17 -0.20 2.98 0.00 0.05 -4.78 116.66 112.84 1jvr n ARG 33 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1jvr n ARG 33 Cb 0.36 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1jvr n ARG 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jvr n LEU 34 N -1.81 0.00 -4.49 6.15 4.77 -0.96 -4.92 117.00 115.74 1jvr n LEU 34 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1jvr n LEU 34 Cb 0.40 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1jvr n LEU 34 CO 0.38 -0.09 2.19 0.00 -1.33 0.00 0.00 177.39 178.54 1jvr n GLN 35 N -0.18 0.04 -2.38 3.23 10.64 -1.26 -4.79 117.38 122.68 1jvr n GLN 35 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1jvr n GLN 35 Cb 0.00 -1.57 -0.02 0.00 -0.86 0.00 0.00 30.24 27.79 1jvr n GLN 35 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1jvr s PRO 36 N 8.79 3.87 0.43 2.61 0.04 -1.26 -4.95 135.00 144.52 1jvr s PRO 36 Ca 1.34 1.27 0.08 0.00 0.04 0.00 0.00 61.00 63.72 1jvr s PRO 36 Cb -1.23 -3.91 -0.01 0.00 0.04 0.00 0.00 34.50 29.38 1jvr s PRO 36 CO 0.49 -1.19 0.42 0.20 0.04 0.00 0.00 177.00 176.96 1jvr s GLY 37 N 3.08 2.11 -0.30 0.56 0.00 -1.26 -5.06 107.32 106.45 1jvr s GLY 37 Ca 0.59 -1.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.17 1jvr s GLY 37 CO 0.25 -1.68 1.35 2.56 0.00 0.00 0.00 173.10 175.58 1jvr s PRO 38 N -4.18 3.88 1.39 2.90 0.04 -1.26 -4.73 135.00 133.04 1jvr s PRO 38 Ca 0.49 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1jvr s PRO 38 Cb -0.04 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1jvr s PRO 38 CO 0.29 -1.17 0.00 -1.13 0.04 0.00 0.00 177.00 175.02 1jvr n SER 39 N 7.81 0.00 -4.04 6.66 3.41 -1.26 -4.12 113.62 122.08 1jvr n SER 39 Ca 0.15 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.53 1jvr n SER 39 Cb 0.47 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.25 1jvr n SER 39 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1jvr s ASP 40 N -4.00 1.67 -0.01 4.04 -4.77 -1.26 -4.98 116.67 107.35 1jvr s ASP 40 Ca 0.00 -0.27 0.01 0.00 -3.30 0.00 0.00 52.55 48.98 1jvr s ASP 40 Cb 0.00 -0.60 0.02 0.00 -1.09 0.00 0.00 42.92 41.24 1jvr s ASP 40 CO 0.00 0.07 0.58 0.33 0.70 0.00 0.00 175.17 176.85 1jvr n PHE 41 N 3.50 -0.09 0.00 2.11 -0.00 -1.26 -4.98 117.46 116.75 1jvr n PHE 41 Ca -0.20 -0.32 0.00 0.00 -0.00 0.00 0.00 57.45 56.92 1jvr n PHE 41 Cb 0.53 0.44 0.00 0.00 -0.00 0.00 0.00 39.48 40.45 1jvr n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1jvr n ASP 42 N -0.07 0.00 -0.02 -2.13 2.03 -1.26 -5.01 116.55 110.09 1jvr n ASP 42 Ca -0.15 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.15 1jvr n ASP 42 Cb 0.51 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.87 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1jvr n PHE 43 N 0.00 0.00 0.02 -0.67 3.72 -1.26 -4.38 117.46 114.89 1jvr n PHE 43 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1jvr n PHE 43 Cb 0.00 -0.23 -0.08 0.00 -0.94 0.00 0.00 39.48 38.23 1jvr n PHE 43 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1jvr h GLN 44 N 0.00 0.01 0.00 -1.08 -0.00 -1.98 0.95 115.11 113.00 1jvr h GLN 44 Ca -0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1jvr h GLN 44 Cb 1.08 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 1jvr h GLN 44 CO 0.01 0.13 0.00 1.04 -0.00 0.00 0.00 178.83 180.01 1jvr n GLN 45 N -5.02 0.10 -0.07 0.06 1.13 -1.26 -1.84 117.38 110.48 1jvr n GLN 45 Ca -0.07 0.16 -0.19 0.00 -1.94 0.00 0.00 57.00 54.96 1jvr n GLN 45 Cb 0.09 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.81 1jvr n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1jvr n LEU 46 N -1.42 2.63 0.21 1.08 0.00 -0.63 -4.18 117.00 114.69 1jvr n LEU 46 Ca 0.06 0.03 0.08 0.00 0.00 0.00 0.00 56.01 56.18 1jvr n LEU 46 Cb 0.19 -0.89 0.43 0.00 0.00 0.00 0.00 43.42 43.15 1jvr n LEU 46 CO 0.16 0.87 0.76 -0.09 0.00 0.00 0.00 177.39 179.09 1jvr h ARG 47 N 0.03 0.00 -0.11 1.96 9.65 0.11 -2.63 114.38 123.39 1jvr h ARG 47 Ca -0.50 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.32 1jvr h ARG 47 Cb 1.98 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.55 1jvr h ARG 47 CO -0.00 0.29 -0.17 -0.09 2.80 0.00 0.00 179.97 182.80 1jvr h ARG 48 N 0.00 0.18 0.00 0.20 9.65 -1.53 -0.63 114.38 122.26 1jvr h ARG 48 Ca -0.00 -0.04 -0.19 0.00 -1.10 0.00 0.00 59.98 58.65 1jvr h ARG 48 Cb 0.75 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 1jvr h ARG 48 CO 0.04 0.36 -0.87 0.35 2.80 0.00 0.00 179.97 182.65 1jvr h PHE 49 N 0.17 0.08 -0.01 2.20 3.57 -1.63 -2.92 116.94 118.40 1jvr h PHE 49 Ca 0.03 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1jvr h PHE 49 Cb 0.41 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1jvr h PHE 49 CO 0.00 0.89 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.88 1jvr h LEU 50 N 0.03 0.04 -2.11 0.59 3.38 -1.31 -2.73 115.31 113.18 1jvr h LEU 50 Ca -0.02 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.45 1jvr h LEU 50 Cb 1.52 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1jvr h LEU 50 CO 0.12 0.61 0.25 0.11 0.09 0.00 0.00 178.44 179.62 1jvr h LYS 51 N -0.53 0.00 0.27 1.13 1.57 -1.20 -0.53 116.57 117.28 1jvr h LYS 51 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jvr h LYS 51 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1jvr h LYS 51 CO 0.00 0.00 -0.13 1.25 -0.57 0.00 0.00 179.45 180.01 1jvr h LEU 52 N 0.00 -0.30 -1.96 2.94 6.46 -1.32 -2.80 115.31 118.33 1jvr h LEU 52 Ca 0.13 -0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.75 1jvr h LEU 52 Cb 0.63 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1jvr h LEU 52 CO -0.00 0.06 0.17 0.00 -0.62 0.00 0.00 178.44 178.05 1jvr h ALA 53 N -0.11 2.16 0.00 1.25 0.00 -0.90 0.51 119.26 122.17 1jvr h ALA 53 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jvr h ALA 53 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jvr h ALA 53 CO 0.06 -0.22 0.00 -0.11 0.00 0.00 0.00 179.25 178.98 1jvr n LEU 54 N -4.48 0.42 0.00 0.00 7.94 -0.34 -0.32 117.00 120.22 1jvr n LEU 54 Ca 0.02 0.67 0.10 0.00 -1.11 0.00 0.00 56.01 55.70 1jvr n LEU 54 Cb 0.28 -0.70 0.52 0.00 0.53 0.00 0.00 43.42 44.06 1jvr n LEU 54 CO 0.35 -0.75 0.81 2.29 -1.11 0.00 0.00 177.39 178.98 1jvr n LYS 55 N -2.04 0.35 -3.35 1.96 2.85 0.18 -4.23 118.16 113.87 1jvr n LYS 55 Ca -0.00 0.08 -0.14 0.00 -1.05 0.00 0.00 58.31 57.20 1jvr n LYS 55 Cb 0.06 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.87 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1jvr s THR 56 N -2.48 -0.46 -1.12 0.58 -1.32 0.56 -5.05 115.64 106.35 1jvr s THR 56 Ca 0.21 -0.62 -0.16 0.00 -1.21 0.00 0.00 61.69 59.92 1jvr s THR 56 Cb 0.14 -0.82 -0.07 0.00 -1.51 0.00 0.00 72.50 70.23 1jvr s THR 56 CO 0.30 -0.45 2.17 -0.81 -2.21 0.00 0.00 174.62 173.61 1jvr n PRO 57 N 4.87 2.28 0.00 7.08 -0.04 -1.26 -3.92 135.00 144.01 1jvr n PRO 57 Ca 0.04 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1jvr n PRO 57 Cb 0.47 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 1jvr n PRO 57 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1jvr n ILE 58 N 5.19 0.00 0.04 0.52 0.13 -1.26 -4.46 119.36 119.51 1jvr n ILE 58 Ca 0.53 0.00 0.08 0.00 -1.10 0.00 0.00 62.75 62.26 1jvr n ILE 58 Cb 0.34 0.10 -0.09 0.00 -0.84 0.00 0.00 39.64 39.16 1jvr n ILE 58 CO 0.00 0.00 0.00 -2.67 2.80 0.00 0.00 176.55 176.68 1jvr n TRP 59 N -1.60 0.54 0.00 9.51 4.27 -1.25 -3.97 117.44 124.95 1jvr n TRP 59 Ca 0.00 0.16 -0.13 0.00 -3.89 0.00 0.00 57.50 53.65 1jvr n TRP 59 Cb 0.13 -0.81 -0.10 0.00 -1.36 0.00 0.00 31.31 29.17 1jvr n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1jvr h LEU 60 N 0.00 -0.06 -0.26 5.67 4.07 -1.84 0.17 115.31 123.06 1jvr h LEU 60 Ca -0.06 -0.50 0.04 0.00 0.08 0.00 0.00 57.88 57.44 1jvr h LEU 60 Cb 1.18 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.86 1jvr h LEU 60 CO 0.01 0.49 -0.53 0.78 -1.08 0.00 0.00 178.44 178.11 1jvr h ASN 61 N -0.63 -1.71 0.21 -0.43 4.21 -1.78 0.62 115.58 116.07 1jvr h ASN 61 Ca -0.01 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1jvr h ASN 61 Cb 0.55 0.69 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1jvr h ASN 61 CO 0.01 -0.44 0.00 -0.81 -1.29 0.00 0.00 177.43 174.90 1jvr n PRO 62 N -5.41 0.54 -2.57 0.81 -0.04 -1.24 -4.94 135.00 122.14 1jvr n PRO 62 Ca -0.04 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1jvr n PRO 62 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1jvr n PRO 62 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1jvr n ILE 63 N -1.14 -1.65 -3.20 0.52 0.13 0.22 -4.98 119.36 109.26 1jvr n ILE 63 Ca 0.14 0.34 0.04 0.00 -1.10 0.00 0.00 62.75 62.18 1jvr n ILE 63 Cb 0.13 -2.30 -0.02 0.00 -0.84 0.00 0.00 39.64 36.61 1jvr n ILE 63 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 1jvr s ASP 64 N -0.79 -0.62 0.04 9.51 1.01 -0.90 -5.00 116.67 119.92 1jvr s ASP 64 Ca 0.03 0.47 0.08 0.00 0.71 0.00 0.00 52.55 53.84 1jvr s ASP 64 Cb -0.00 1.56 0.34 0.00 1.01 0.00 0.00 42.92 45.83 1jvr s ASP 64 CO 0.07 -0.12 1.24 0.00 0.21 0.00 0.00 175.17 176.57 1jvr n TYR 65 N 5.36 0.11 0.29 4.23 4.19 -1.26 -1.89 117.16 128.19 1jvr n TYR 65 Ca -0.06 0.05 0.19 0.00 3.31 0.00 0.00 57.90 61.39 1jvr n TYR 65 Cb 0.53 -0.58 1.00 0.00 0.49 0.00 0.00 39.34 40.78 1jvr n TYR 65 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 1jvr h SER 66 N 0.00 0.00 0.62 2.98 0.02 -1.96 0.58 113.55 115.80 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jvr h SER 66 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1jvr h SER 66 CO 0.00 0.00 -1.24 -0.11 -1.14 0.00 0.00 176.83 174.34 1jvr n LEU 67 N -2.82 0.58 0.28 5.07 0.00 -0.79 -4.04 117.00 115.28 1jvr n LEU 67 Ca -0.02 0.17 -0.11 0.00 0.00 0.00 0.00 56.01 56.04 1jvr n LEU 67 Cb 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 43.42 43.40 1jvr n LEU 67 CO 0.16 -0.09 0.32 -0.07 0.00 0.00 0.00 177.39 177.71 1jvr h LEU 68 N 0.00 -0.63 -1.61 -1.96 3.38 0.01 -2.64 115.31 111.86 1jvr h LEU 68 Ca 0.00 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1jvr h LEU 68 Cb 0.93 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1jvr h LEU 68 CO 0.00 -0.26 0.57 0.00 0.09 0.00 0.00 178.44 178.84 1jvr h ALA 69 N -1.28 1.90 -0.07 1.53 0.00 -1.68 1.51 119.26 121.18 1jvr h ALA 69 Ca -0.08 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1jvr h ALA 69 Cb 0.57 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jvr h ALA 69 CO 0.13 -0.71 -0.73 1.03 0.00 0.00 0.00 179.25 178.96 1jvr h SER 70 N 0.00 0.46 0.16 0.00 0.87 -1.63 -3.22 113.55 110.18 1jvr h SER 70 Ca 0.13 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1jvr h SER 70 Cb 1.27 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1jvr h SER 70 CO -0.00 1.04 -0.08 -0.07 -0.53 0.00 0.00 176.83 177.19 1jvr h LEU 71 N 0.26 -0.18 -7.82 2.23 4.07 0.25 -3.41 115.31 110.71 1jvr h LEU 71 Ca -0.03 -0.08 -0.48 0.00 0.08 0.00 0.00 57.88 57.37 1jvr h LEU 71 Cb 1.30 0.05 -0.09 0.00 1.08 0.00 0.00 40.66 43.00 1jvr h LEU 71 CO 0.12 -0.04 1.73 -0.38 -1.08 0.00 0.00 178.44 178.80 1jvr n ILE 72 N -5.14 0.00 -2.32 1.22 5.41 -1.08 -4.72 119.36 112.73 1jvr n ILE 72 Ca -0.09 -0.02 -0.35 0.00 1.00 0.00 0.00 62.75 63.30 1jvr n ILE 72 Cb 0.15 -0.47 -0.04 0.00 -0.71 0.00 0.00 39.64 38.57 1jvr n ILE 72 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1jvr s PRO 73 N 8.72 3.15 0.08 0.38 0.04 -1.26 -4.71 135.00 141.40 1jvr s PRO 73 Ca 1.33 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1jvr s PRO 73 Cb -1.22 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 28.03 1jvr s PRO 73 CO 0.48 -2.93 0.00 0.36 0.04 0.00 0.00 177.00 174.95 1jvr n LYS 74 N 8.64 -0.58 -1.49 4.56 -0.00 -1.26 -4.81 118.16 123.22 1jvr n LYS 74 Ca 0.41 0.45 -0.58 0.00 -0.00 0.00 0.00 58.31 58.59 1jvr n LYS 74 Cb 0.48 -0.55 -0.09 0.00 -0.00 0.00 0.00 35.03 34.87 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jvr n GLY 75 N -1.59 0.16 4.00 2.58 0.00 -1.26 -4.92 105.19 104.16 1jvr n GLY 75 Ca 0.00 0.86 -0.23 0.00 0.00 0.00 0.00 46.02 46.65 1jvr n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jvr s TYR 76 N 2.55 1.66 0.61 1.61 5.04 -1.26 -5.11 117.35 122.45 1jvr s TYR 76 Ca 0.89 -0.31 -0.10 0.00 -2.44 0.00 0.00 57.07 55.11 1jvr s TYR 76 Cb -1.28 -2.88 0.15 0.00 0.35 0.00 0.00 41.96 38.30 1jvr s TYR 76 CO 0.70 -1.58 0.67 -0.35 -1.34 0.00 0.00 175.55 173.65 1jvr n PRO 77 N -2.72 -1.47 -0.08 4.97 -0.04 -1.26 -4.88 135.00 129.52 1jvr n PRO 77 Ca 0.15 -1.06 0.01 0.00 -0.04 0.00 0.00 63.50 62.56 1jvr n PRO 77 Cb 0.61 -0.84 -0.00 0.00 -0.04 0.00 0.00 33.50 33.23 1jvr n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvr n GLY 78 N -0.70 -0.31 1.78 0.55 0.00 -1.26 -3.92 105.19 101.34 1jvr n GLY 78 Ca 0.09 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1jvr n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jvr n ARG 79 N -0.74 4.33 -0.22 1.61 1.74 -1.26 -4.48 116.66 117.64 1jvr n ARG 79 Ca 0.00 -3.12 -0.04 0.00 -0.77 0.00 0.00 57.85 53.92 1jvr n ARG 79 Cb 0.03 -2.20 0.06 0.00 -1.02 0.00 0.00 32.46 29.34 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jvr h VAL 80 N 3.35 1.08 -0.31 1.55 2.07 -1.93 -0.87 116.25 121.19 1jvr h VAL 80 Ca 0.07 -0.27 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 1jvr h VAL 80 Cb 2.00 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1jvr h VAL 80 CO 0.52 0.14 -0.43 0.58 0.02 0.00 0.00 177.57 178.40 1jvr h VAL 81 N 0.78 1.28 -0.06 2.57 2.07 -1.78 -2.59 116.25 118.52 1jvr h VAL 81 Ca 0.26 -1.62 0.02 0.00 0.82 0.00 0.00 66.70 66.18 1jvr h VAL 81 Cb 0.02 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1jvr h VAL 81 CO -0.10 0.53 0.07 -0.33 0.02 0.00 0.00 177.57 177.76 1jvr h GLU 82 N 0.64 0.00 -0.48 1.57 4.39 -1.61 0.58 114.58 119.67 1jvr h GLU 82 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1jvr h GLU 82 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1jvr h GLU 82 CO 0.10 0.00 0.00 -0.89 -1.16 0.00 0.00 179.01 177.06 1jvr n ILE 83 N -3.78 0.58 0.00 3.13 5.41 -0.42 -3.70 119.36 120.59 1jvr n ILE 83 Ca -0.01 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1jvr n ILE 83 Cb 0.17 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1jvr n ILE 83 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1jvr n ILE 84 N 0.24 0.00 0.32 1.39 5.41 0.19 -4.57 119.36 122.34 1jvr n ILE 84 Ca 0.09 0.00 0.16 0.00 1.00 0.00 0.00 62.75 64.00 1jvr n ILE 84 Cb 0.35 -1.37 0.84 0.00 -0.71 0.00 0.00 39.64 38.75 1jvr n ILE 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1jvr h ASN 85 N 0.00 0.00 0.48 4.38 7.08 -1.43 0.99 115.58 127.08 1jvr h ASN 85 Ca 0.00 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.01 1jvr h ASN 85 Cb 0.99 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.23 1jvr h ASN 85 CO 0.00 0.00 -0.91 0.40 -2.08 0.00 0.00 177.43 174.84 1jvr h ILE 86 N 0.00 1.46 -0.12 6.14 2.04 -1.82 -1.06 117.51 124.16 1jvr h ILE 86 Ca 0.02 -2.56 -0.14 0.00 1.00 0.00 0.00 64.86 63.18 1jvr h ILE 86 Cb 0.65 2.45 0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1jvr h ILE 86 CO -0.00 0.75 -0.47 -0.07 0.00 0.00 0.00 178.15 178.36 1jvr h LEU 87 N 0.16 0.61 -0.04 1.44 3.38 0.73 -2.48 115.31 119.11 1jvr h LEU 87 Ca -0.06 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.28 1jvr h LEU 87 Cb 1.54 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1jvr h LEU 87 CO 0.15 1.14 0.02 0.58 0.09 0.00 0.00 178.44 180.41 1jvr h VAL 88 N 0.13 1.12 0.00 1.22 2.07 -1.28 -0.73 116.25 118.78 1jvr h VAL 88 Ca -0.03 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1jvr h VAL 88 Cb 1.11 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1jvr h VAL 88 CO 0.10 0.10 0.00 0.50 0.02 0.00 0.00 177.57 178.29 1jvr h LYS 89 N -0.08 0.00 0.06 1.57 3.64 -1.23 -1.55 116.57 118.99 1jvr h LYS 89 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1jvr h LYS 89 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1jvr h LYS 89 CO -0.00 0.00 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.18 1jvr h ASN 90 N 0.00 -0.06 -0.38 4.20 -1.24 -0.66 1.41 115.58 118.85 1jvr h ASN 90 Ca 0.00 -0.52 0.06 0.00 0.71 0.00 0.00 56.30 56.56 1jvr h ASN 90 Cb 0.01 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 1jvr h ASN 90 CO 0.00 0.65 0.26 0.06 -1.29 0.00 0.00 177.43 177.10 1jvr h GLN 91 N -0.94 0.24 0.07 6.67 3.07 -0.72 -1.55 115.11 121.94 1jvr h GLN 91 Ca -0.01 -0.01 -0.33 0.00 0.09 0.00 0.00 58.65 58.39 1jvr h GLN 91 Cb 0.57 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.05 1jvr h GLN 91 CO 0.01 0.16 -1.81 -0.39 0.09 0.00 0.00 178.83 176.89 1jvr h VAL 92 N 0.24 0.79 -6.12 1.86 -1.51 -1.41 -3.50 116.25 106.60 1jvr h VAL 92 Ca 0.17 -2.55 0.00 0.00 -1.23 0.00 0.00 66.70 63.09 1jvr h VAL 92 Cb 0.36 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 32.02 1jvr h VAL 92 CO -0.03 0.72 -0.75 -0.24 -1.23 0.00 0.00 177.57 176.03 1jvr n SER 93 N -3.30 -6.71 0.00 4.19 2.88 0.48 -4.92 113.62 106.25 1jvr n SER 93 Ca -0.24 0.71 -0.11 0.00 -1.33 0.00 0.00 58.87 57.90 1jvr n SER 93 Cb 1.05 -2.12 -0.09 0.00 -0.75 0.00 0.00 64.21 62.30 1jvr n SER 93 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1jvr h PRO 94 N 3.98 -0.10 0.00 -1.46 0.13 -1.90 -3.47 132.00 129.18 1jvr h PRO 94 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1jvr h PRO 94 Cb 0.64 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1jvr h PRO 94 CO 0.01 0.45 0.00 0.45 -0.23 0.00 0.00 178.00 178.68 1jvr n SER 95 N -4.81 -0.01 -3.54 1.44 2.88 -1.26 -5.15 113.62 103.16 1jvr n SER 95 Ca -0.08 0.40 -0.11 0.00 -1.33 0.00 0.00 58.87 57.75 1jvr n SER 95 Cb 0.30 0.28 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jvr s ALA 96 N -2.00 -1.23 0.53 -1.46 0.00 -1.26 -5.16 121.76 111.17 1jvr s ALA 96 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.96 1jvr s ALA 96 Cb 0.00 0.79 -0.07 0.00 0.00 0.00 0.00 23.12 23.84 1jvr s ALA 96 CO 0.00 -0.71 1.04 -1.25 0.00 0.00 0.00 175.76 174.85 1jvr s PRO 97 N -3.78 3.63 -0.03 0.00 0.04 -1.26 -4.92 135.00 128.67 1jvr s PRO 97 Ca 0.02 1.27 -0.38 0.00 0.04 0.00 0.00 61.00 61.96 1jvr s PRO 97 Cb 0.00 -2.07 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 1jvr s PRO 97 CO -0.12 -0.57 1.42 0.00 0.04 0.00 0.00 177.00 177.78 1jvr n ALA 98 N -1.41 -1.04 0.00 8.56 0.00 -1.26 -4.16 120.51 121.20 1jvr n ALA 98 Ca 0.09 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1jvr n ALA 98 Cb 0.53 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1jvr n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jvr n ALA 99 N 3.17 0.00 -2.43 0.00 0.00 -1.26 -5.05 120.51 114.95 1jvr n ALA 99 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1jvr n ALA 99 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 1jvr n ALA 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jvr s PRO 100 N 0.00 4.31 -0.08 0.00 0.04 -1.26 -4.94 135.00 133.07 1jvr s PRO 100 Ca 0.00 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 1jvr s PRO 100 Cb 0.00 -3.63 -0.21 0.00 0.04 0.00 0.00 34.50 30.70 1jvr s PRO 100 CO 0.00 -0.55 0.92 0.28 0.04 0.00 0.00 177.00 177.69 1jvr h VAL 101 N 5.17 1.36 -3.03 -0.36 2.07 -1.99 -3.44 116.25 116.03 1jvr h VAL 101 Ca -0.32 -1.61 -0.55 0.00 0.82 0.00 0.00 66.70 65.04 1jvr h VAL 101 Cb 1.14 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1jvr h VAL 101 CO 0.91 0.39 0.76 -2.16 0.02 0.00 0.00 177.57 177.49 1jvr s PRO 102 N -3.12 4.32 0.00 1.57 0.04 -1.26 -4.29 135.00 132.25 1jvr s PRO 102 Ca -0.16 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1jvr s PRO 102 Cb -0.01 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1jvr s PRO 102 CO 0.60 -0.52 0.00 2.41 0.04 0.00 0.00 177.00 179.53 1jvr n THR 103 N 4.81 0.00 -0.37 1.26 -1.04 -1.26 -5.02 114.28 112.66 1jvr n THR 103 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1jvr n THR 103 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1jvr n THR 103 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1jvr n PRO 104 N 0.00 0.26 0.00 -2.82 -0.04 -1.26 -4.39 135.00 126.75 1jvr n PRO 104 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jvr n PRO 104 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1jvr n PRO 104 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1jvr n ILE 105 N -1.24 0.00 -2.19 0.52 -5.35 -1.26 -4.07 119.36 105.77 1jvr n ILE 105 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 1jvr n ILE 105 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 37.88 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jvr s PRO 107 N 4.04 3.26 -1.03 0.00 0.04 -1.26 -4.37 135.00 135.68 1jvr s PRO 107 Ca 0.66 -1.57 -0.20 0.00 0.04 0.00 0.00 61.00 59.92 1jvr s PRO 107 Cb -0.27 -5.39 0.03 0.00 0.04 0.00 0.00 34.50 28.91 1jvr s PRO 107 CO 0.24 -3.09 0.63 2.41 0.04 0.00 0.00 177.00 177.23 1jvr n THR 108 N 7.09 -2.78 -0.04 1.26 -1.04 -1.26 -4.81 114.28 112.71 1jvr n THR 108 Ca 0.47 -0.34 -0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1jvr n THR 108 Cb 0.46 -2.42 0.29 0.00 -1.82 0.00 0.00 70.33 66.85 1jvr n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jvr h THR 109 N -1.60 1.19 0.00 12.58 1.03 -1.98 -3.42 112.91 120.72 1jvr h THR 109 Ca -0.67 -0.70 -0.39 0.00 -0.01 0.00 0.00 66.41 64.64 1jvr h THR 109 Cb 1.37 0.79 -0.08 0.00 -1.07 0.00 0.00 68.15 69.16 1jvr h THR 109 CO 0.45 0.25 1.54 0.41 -0.01 0.00 0.00 175.52 178.15 1jvr n THR 110 N -4.31 0.00 -1.53 0.00 -1.04 -1.26 -4.85 114.28 101.29 1jvr n THR 110 Ca 0.02 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 1jvr n THR 110 Cb 0.21 -0.32 0.16 0.00 -1.82 0.00 0.00 70.33 68.56 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 111 N 7.20 0.62 -0.33 -2.82 0.04 -1.26 -4.97 135.00 133.49 1jvr s PRO 111 Ca 1.14 0.09 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 1jvr s PRO 111 Cb -0.98 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1jvr s PRO 111 CO 0.43 -2.51 1.36 -1.25 0.04 0.00 0.00 177.00 175.07 1jvr s PRO 112 N -5.43 3.80 0.60 0.56 0.04 -1.26 -5.01 135.00 128.31 1jvr s PRO 112 Ca 0.67 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 1jvr s PRO 112 Cb -0.12 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 1jvr s PRO 112 CO 0.54 -1.27 1.05 -1.25 0.04 0.00 0.00 177.00 176.11 1jvr s PRO 113 N 4.44 3.32 -0.32 0.56 0.04 -1.26 -4.67 135.00 137.11 1jvr s PRO 113 Ca 0.59 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1jvr s PRO 113 Cb -0.16 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 113 CO 0.26 -0.80 1.36 -1.25 0.04 0.00 0.00 177.00 176.62 1jvr s PRO 114 N -4.23 3.80 -0.33 0.56 0.04 -1.26 -4.90 135.00 128.68 1jvr s PRO 114 Ca 0.62 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 1jvr s PRO 114 Cb -0.15 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1jvr s PRO 114 CO 0.39 -1.27 1.37 -1.25 0.04 0.00 0.00 177.00 176.28 1jvr s PRO 115 N 4.44 3.79 -0.32 0.56 0.04 -1.26 -4.97 135.00 137.28 1jvr s PRO 115 Ca 0.59 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1jvr s PRO 115 Cb -0.17 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 115 CO 0.26 -1.28 1.36 -1.25 0.04 0.00 0.00 177.00 176.14 1jvr s PRO 116 N 4.46 3.80 0.00 0.56 0.04 -1.26 -4.93 135.00 137.67 1jvr s PRO 116 Ca 0.59 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1jvr s PRO 116 Cb -0.16 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 116 CO 0.27 -1.27 0.24 -0.35 0.04 0.00 0.00 177.00 175.93 1jvr n PRO 117 N 7.57 0.00 0.00 0.56 -0.04 -1.26 -5.04 135.00 136.79 1jvr n PRO 117 Ca 0.16 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1jvr n PRO 117 Cb 0.47 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1jvr n PRO 117 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jvr n SER 118 N -1.92 0.00 0.08 3.54 3.41 -1.26 -4.96 113.62 112.51 1jvr n SER 118 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1jvr n SER 118 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1jvr n SER 118 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1jvr h PRO 119 N 0.00 0.28 0.00 4.33 0.13 -2.02 -3.47 132.00 131.25 1jvr h PRO 119 Ca 0.00 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1jvr h PRO 119 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1jvr h PRO 119 CO 0.00 0.96 0.00 -1.91 -0.23 0.00 0.00 178.00 176.82 1jvr n GLU 120 N -3.74 0.00 0.00 0.86 2.13 -1.26 -4.90 120.64 113.73 1jvr n GLU 120 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1jvr n GLU 120 Cb 0.76 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.47 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jvr n ALA 121 N 0.00 0.00 -2.09 4.31 0.00 -1.26 -4.54 120.51 116.93 1jvr n ALA 121 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1jvr n ALA 121 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1jvr n ALA 121 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1jvr s HIS 122 N 0.00 1.90 -0.97 0.00 -3.43 -1.26 -4.83 115.29 106.70 1jvr s HIS 122 Ca 0.00 0.67 -0.30 0.00 -0.80 0.00 0.00 55.06 54.63 1jvr s HIS 122 Cb 0.00 -4.16 -0.22 0.00 -1.43 0.00 0.00 32.58 26.77 1jvr s HIS 122 CO 0.00 -2.58 2.60 1.55 -2.00 0.00 0.00 174.74 174.31 1jvr n VAL 123 N 7.29 0.00 -2.37 -5.38 3.14 -1.26 -4.78 118.33 114.97 1jvr n VAL 123 Ca 0.21 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 61.15 1jvr n VAL 123 Cb 0.48 -0.47 -0.02 0.00 -1.06 0.00 0.00 33.84 32.77 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1jvr s PRO 124 N 8.68 3.80 -0.33 1.45 0.04 -1.26 -4.94 135.00 142.44 1jvr s PRO 124 Ca 1.32 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 1jvr s PRO 124 Cb -1.21 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1jvr s PRO 124 CO 0.48 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.35 1jvr s PRO 125 N 4.45 3.81 0.88 0.56 0.04 -1.26 -5.01 135.00 138.47 1jvr s PRO 125 Ca 0.59 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 1jvr s PRO 125 Cb -0.17 -3.93 0.12 0.00 0.04 0.00 0.00 34.50 30.56 1jvr s PRO 125 CO 0.27 -1.26 1.13 -1.25 0.04 0.00 0.00 177.00 175.92 1jvr s PRO 126 N 4.43 1.40 0.00 0.56 0.04 -1.26 -2.75 135.00 137.42 1jvr s PRO 126 Ca 0.59 0.37 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1jvr s PRO 126 Cb -0.16 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1jvr s PRO 126 CO 0.26 -2.04 0.00 0.98 0.04 0.00 0.00 177.00 176.24 1jvr n TYR 127 N -3.67 0.00 0.00 0.56 9.36 -1.26 -4.30 117.16 117.85 1jvr n TYR 127 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1jvr n TYR 127 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 1jvr n TYR 127 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1jvr n VAL 128 N 0.00 0.00 0.00 2.97 0.31 -1.26 -5.01 118.33 115.34 1jvr n VAL 128 Ca 0.00 0.97 0.00 0.00 -0.01 0.00 0.00 64.34 65.30 1jvr n VAL 128 Cb 0.00 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 1jvr n VAL 128 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1jvr n GLU 129 N -0.57 0.00 -1.55 5.55 4.07 -1.11 -5.01 120.64 122.02 1jvr n GLU 129 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.80 1jvr n GLU 129 Cb 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.48 1jvr n GLU 129 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1jvr s PRO 130 N -2.00 1.93 0.00 5.31 0.04 -1.26 -4.19 135.00 134.83 1jvr s PRO 130 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1jvr s PRO 130 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1jvr s PRO 130 CO 0.00 -1.72 0.00 0.25 0.04 0.00 0.00 177.00 175.57 1jvr n THR 131 N -3.49 0.00 -4.12 1.26 -2.24 -1.26 -4.73 114.28 99.69 1jvr n THR 131 Ca 0.07 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.45 1jvr n THR 131 Cb 0.57 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1jvr n THR 131 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jvr n THR 132 N 0.00 -1.95 -3.20 4.28 -2.24 -1.26 -2.43 114.28 107.47 1jvr n THR 132 Ca 0.00 -0.53 -0.19 0.00 -2.27 0.00 0.00 64.05 61.07 1jvr n THR 132 Cb 0.00 -1.70 0.02 0.00 -2.10 0.00 0.00 70.33 66.55 1jvr n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jvr n THR 133 N -4.71 -2.74 -1.43 4.28 -2.24 -1.26 -4.60 114.28 101.58 1jvr n THR 133 Ca -0.17 0.27 -0.56 0.00 -2.27 0.00 0.00 64.05 61.32 1jvr n THR 133 Cb 0.57 -3.06 -0.08 0.00 -2.10 0.00 0.00 70.33 65.66 1jvr n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jvr n GLN 134 N 0.55 0.00 -3.15 -0.78 10.64 -1.02 -4.87 117.38 118.75 1jvr n GLN 134 Ca -0.04 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.85 1jvr n GLN 134 Cb 0.56 -1.43 -0.05 0.00 -0.86 0.00 0.00 30.24 28.45 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23