#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 0.00 1.57 1.56 -1.26 -5.01 117.12 113.98 1jvr n MET 1 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1jvr n MET 1 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1jvr n MET 1 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1jvr n GLY 2 N -0.06 1.67 3.76 -5.12 0.00 -1.26 -4.92 105.19 99.26 1jvr n GLY 2 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1jvr n GLY 2 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jvr s GLN 3 N 0.00 4.36 -0.64 1.61 0.00 -1.26 -4.97 119.66 118.75 1jvr s GLN 3 Ca 0.00 2.19 0.06 0.00 -0.00 0.00 0.00 55.36 57.61 1jvr s GLN 3 Cb 0.00 -3.10 0.22 0.00 0.00 0.00 0.00 33.01 30.13 1jvr s GLN 3 CO 0.00 -0.22 0.66 -0.89 0.00 0.00 0.00 175.29 174.83 1jvr n ILE 4 N 1.40 1.94 0.02 3.63 5.41 -1.26 -4.73 119.36 125.77 1jvr n ILE 4 Ca 0.02 -5.03 0.00 0.00 1.00 0.00 0.00 62.75 58.74 1jvr n ILE 4 Cb 0.42 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 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 1.24 -2.52 -1.92 1.39 8.25 -1.26 -5.07 115.22 115.33 1jvr n HIS 5 Ca 0.27 0.14 -0.02 0.00 -0.26 0.00 0.00 57.72 57.85 1jvr n HIS 5 Cb 0.40 0.78 0.01 0.00 1.12 0.00 0.00 29.99 32.30 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 -1.08 -0.10 0.49 -1.41 0.00 -1.26 -5.02 105.19 96.81 1jvr n GLY 6 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1jvr n GLY 6 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jvr n LEU 7 N -1.55 1.52 -4.46 0.99 -0.00 -1.26 -5.06 117.00 107.18 1jvr n LEU 7 Ca -0.01 0.01 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1jvr n LEU 7 Cb 0.51 -0.09 -0.12 0.00 -0.00 0.00 0.00 43.42 43.73 1jvr n LEU 7 CO 0.14 0.29 -0.51 -0.94 -0.00 0.00 0.00 177.39 176.37 1jvr s SER 8 N -4.79 3.72 1.10 1.45 1.04 -1.26 -5.14 113.70 109.83 1jvr s SER 8 Ca -0.04 -0.62 -0.18 0.00 0.48 0.00 0.00 55.95 55.58 1jvr s SER 8 Cb 0.01 -0.45 0.26 0.00 0.10 0.00 0.00 66.02 65.94 1jvr s SER 8 CO 0.06 0.18 1.23 -2.16 0.98 0.00 0.00 173.24 173.52 1jvr s PRO 9 N -2.15 -0.48 0.54 4.02 0.04 -1.26 -4.91 135.00 130.80 1jvr s PRO 9 Ca 0.17 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1jvr s PRO 9 Cb -0.10 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1jvr s PRO 9 CO 0.09 -3.18 0.00 -2.37 0.04 0.00 0.00 177.00 171.58 1jvr n THR 10 N -4.32 -3.80 -2.36 1.26 5.66 -1.26 -4.68 114.28 104.78 1jvr n THR 10 Ca 0.15 1.81 -0.43 0.00 -3.05 0.00 0.00 64.05 62.53 1jvr n THR 10 Cb 0.59 -2.72 -0.02 0.00 -1.55 0.00 0.00 70.33 66.64 1jvr n THR 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1jvr s PRO 11 N -4.55 3.64 -0.45 1.09 0.04 -1.26 -4.90 135.00 128.60 1jvr s PRO 11 Ca 0.00 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.11 1jvr s PRO 11 Cb 0.00 -4.00 0.22 0.00 0.04 0.00 0.00 34.50 30.76 1jvr s PRO 11 CO 0.00 -1.48 0.64 1.51 0.04 0.00 0.00 177.00 177.71 1jvr n ILE 12 N 6.90 -0.44 1.51 0.56 3.06 -1.26 -4.95 119.36 124.73 1jvr n ILE 12 Ca 0.16 -2.42 0.12 0.00 -2.50 0.00 0.00 62.75 58.11 1jvr n ILE 12 Cb 0.48 -0.17 0.70 0.00 0.54 0.00 0.00 39.64 41.19 1jvr n ILE 12 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1jvr n PRO 13 N 2.16 0.75 0.04 9.51 -0.04 -1.26 -2.03 135.00 144.14 1jvr n PRO 13 Ca 0.19 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1jvr n PRO 13 Cb 0.56 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1jvr n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jvr n LYS 14 N -0.99 0.37 0.18 0.54 -0.00 -1.26 -3.20 118.16 113.80 1jvr n LYS 14 Ca 0.18 0.02 -0.14 0.00 -0.00 0.00 0.00 58.31 58.37 1jvr n LYS 14 Cb 0.08 -1.64 -0.08 0.00 -0.00 0.00 0.00 35.03 33.39 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jvr h ALA 15 N 2.41 -0.47 0.01 0.58 0.00 -1.83 -3.37 119.26 116.58 1jvr h ALA 15 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jvr h ALA 15 Cb 0.80 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1jvr h ALA 15 CO 0.00 -0.63 -0.00 -1.00 0.00 0.00 0.00 179.25 177.61 1jvr h PRO 16 N -0.72 -0.01 -5.30 0.00 0.13 -1.73 -3.49 132.00 120.87 1jvr h PRO 16 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1jvr h PRO 16 Cb 0.50 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 1jvr h PRO 16 CO 0.08 -0.01 -1.12 -2.13 -0.23 0.00 0.00 178.00 174.59 1jvr n ARG 17 N -2.12 -3.35 0.00 0.86 3.00 -1.19 -4.95 116.66 108.91 1jvr n ARG 17 Ca -0.00 2.69 0.00 0.00 -0.00 0.00 0.00 57.85 60.53 1jvr n ARG 17 Cb 0.01 -4.54 0.00 0.00 0.00 0.00 0.00 32.46 27.92 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jvr n GLY 18 N 1.18 -0.85 3.32 5.14 0.00 -1.26 -4.42 105.19 108.30 1jvr n GLY 18 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 5.26 0.00 0.99 2.96 -1.26 -4.87 118.68 121.76 1jvr s LEU 19 Ca 0.00 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 52.51 1jvr s LEU 19 Cb 0.00 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1jvr s LEU 19 CO 0.00 -0.56 0.00 -0.24 -1.32 0.00 0.00 176.35 174.23 1jvr n SER 20 N 5.02 0.00 -1.38 3.68 2.88 -1.26 -5.03 113.62 117.53 1jvr n SER 20 Ca -0.11 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.59 1jvr n SER 20 Cb 0.43 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.81 1jvr n SER 20 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1jvr n THR 21 N 0.00 -0.88 0.00 2.46 -1.04 -1.26 -4.56 114.28 109.00 1jvr n THR 21 Ca 0.00 0.88 0.00 0.00 -2.04 0.00 0.00 64.05 62.89 1jvr n THR 21 Cb 0.00 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 1jvr n THR 21 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jvr n HIS 22 N -4.26 0.00 0.03 -1.42 -0.00 -1.26 -3.40 115.22 104.91 1jvr n HIS 22 Ca -0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.44 1jvr n HIS 22 Cb 0.63 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.50 1jvr n HIS 22 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1jvr h HIS 23 N 0.00 0.66 -0.21 1.57 -0.00 -1.89 -2.91 115.15 112.37 1jvr h HIS 23 Ca 0.00 -0.40 -0.12 0.00 -0.00 0.00 0.00 60.37 59.85 1jvr h HIS 23 Cb 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1jvr h HIS 23 CO 0.00 1.25 -0.35 2.35 -0.00 0.00 0.00 177.93 181.17 1jvr h TRP 24 N -0.12 0.75 -0.43 2.45 2.91 -1.84 -2.61 115.95 117.06 1jvr h TRP 24 Ca -0.11 -0.26 0.12 0.00 1.13 0.00 0.00 58.89 59.77 1jvr h TRP 24 Cb 1.50 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.99 1jvr h TRP 24 CO 0.16 1.00 0.42 1.25 -1.03 0.00 0.00 178.44 180.24 1jvr h LEU 25 N 0.28 0.00 -0.92 0.65 5.85 -1.79 1.65 115.31 121.02 1jvr h LEU 25 Ca 0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1jvr h LEU 25 Cb 0.94 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1jvr h LEU 25 CO 0.08 0.00 -0.23 -1.13 -0.34 0.00 0.00 178.44 176.82 1jvr h ASN 26 N 0.00 0.00 0.06 1.25 -1.24 -1.25 -1.87 115.58 112.52 1jvr h ASN 26 Ca 0.20 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.84 1jvr h ASN 26 Cb 1.04 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.05 1jvr h ASN 26 CO -0.00 0.23 -2.24 0.33 -1.29 0.00 0.00 177.43 174.46 1jvr n PHE 27 N -3.33 0.61 0.22 0.67 -0.00 0.51 -3.59 117.46 112.55 1jvr n PHE 27 Ca 0.01 0.13 0.06 0.00 -0.00 0.00 0.00 57.45 57.64 1jvr n PHE 27 Cb 0.47 -1.08 0.53 0.00 -0.00 0.00 0.00 39.48 39.39 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 0.01 0.04 0.08 -2.13 5.85 0.04 0.16 115.31 119.35 1jvr h LEU 28 Ca -0.51 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 1jvr h LEU 28 Cb 1.95 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1jvr h LEU 28 CO -0.01 0.16 -0.04 -0.61 -0.34 0.00 0.00 178.44 177.60 1jvr h GLN 29 N 0.04 -0.10 -0.55 1.25 4.15 -1.50 -2.16 115.11 116.24 1jvr h GLN 29 Ca 0.01 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1jvr h GLN 29 Cb 0.23 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1jvr h GLN 29 CO 0.02 0.40 0.35 0.00 -1.93 0.00 0.00 178.83 177.67 1jvr h ALA 30 N 0.15 0.70 0.00 3.38 0.00 -1.53 0.11 119.26 122.07 1jvr h ALA 30 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jvr h ALA 30 Cb 0.55 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jvr h ALA 30 CO 0.02 0.09 -0.00 0.00 0.00 0.00 0.00 179.25 179.35 1jvr h ALA 31 N 1.22 1.49 0.00 0.00 0.00 -0.73 0.15 119.26 121.40 1jvr h ALA 31 Ca 0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1jvr h ALA 31 Cb -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jvr h ALA 31 CO -0.07 0.00 -0.72 -0.92 0.00 0.00 0.00 179.25 177.55 1jvr h TYR 32 N 0.00 0.00 0.00 0.00 3.20 -0.16 -3.20 116.97 116.81 1jvr h TYR 32 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jvr h TYR 32 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jvr h TYR 32 CO 0.00 0.39 0.00 -2.13 -1.64 0.00 0.00 178.16 174.78 1jvr n ARG 33 N -3.06 0.10 -0.07 1.82 0.00 0.48 -4.80 116.66 111.13 1jvr n ARG 33 Ca -0.01 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1jvr n ARG 33 Cb 0.71 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.55 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 -1.80 0.00 0.00 6.15 4.77 -0.95 -5.03 117.00 120.14 1jvr n LEU 34 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1jvr n LEU 34 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1jvr n LEU 34 CO 0.27 -0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.30 1jvr n GLN 35 N -0.07 0.00 -2.42 3.23 3.00 -1.26 -5.03 117.38 114.83 1jvr n GLN 35 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1jvr n GLN 35 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 1jvr n GLN 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1jvr s PRO 36 N 0.00 4.28 0.00 -1.09 0.04 -1.26 -4.92 135.00 132.05 1jvr s PRO 36 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1jvr s PRO 36 Cb 0.00 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1jvr s PRO 36 CO 0.00 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1jvr n GLY 37 N 3.52 3.83 0.00 0.56 0.00 -1.26 -5.02 105.19 106.82 1jvr n GLY 37 Ca 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1jvr n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jvr n PRO 38 N -1.31 0.00 0.00 1.61 -0.04 -1.26 -4.79 135.00 129.21 1jvr n PRO 38 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jvr n PRO 38 Cb 0.00 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 1jvr n PRO 38 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jvr n SER 39 N -0.02 0.00 0.00 3.54 3.41 -1.26 -4.25 113.62 115.04 1jvr n SER 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jvr n SER 39 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jvr n SER 39 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jvr n ASP 40 N 1.76 0.00 -0.22 4.04 8.00 -1.26 -4.50 116.55 124.37 1jvr n ASP 40 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jvr n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jvr n ASP 40 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jvr n PHE 41 N 0.00 0.00 -3.03 1.24 7.35 -1.26 -5.01 117.46 116.75 1jvr n PHE 41 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 1jvr n PHE 41 Cb 0.00 -0.01 0.07 0.00 0.35 0.00 0.00 39.48 39.89 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1jvr n ASP 42 N 0.00 -2.25 0.00 -2.13 10.43 -1.26 -4.67 116.55 116.67 1jvr n ASP 42 Ca 0.00 -0.46 0.00 0.00 2.57 0.00 0.00 54.79 56.90 1jvr n ASP 42 Cb 0.58 -3.90 0.00 0.00 1.84 0.00 0.00 41.12 39.64 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1jvr n PHE 43 N -3.26 0.00 0.17 1.24 3.72 -1.26 -5.00 117.46 113.07 1jvr n PHE 43 Ca -0.20 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.06 1jvr n PHE 43 Cb 0.62 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.08 1jvr n PHE 43 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1jvr h GLN 44 N 0.00 -0.41 -0.00 -1.08 -0.00 -1.93 0.24 115.11 111.93 1jvr h GLN 44 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1jvr h GLN 44 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.57 1jvr h GLN 44 CO 0.00 -0.11 0.02 0.37 0.00 0.00 0.00 178.83 179.11 1jvr h GLN 45 N -0.72 0.00 0.00 1.69 5.75 -1.95 -0.39 115.11 119.50 1jvr h GLN 45 Ca -0.04 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1jvr h GLN 45 Cb 0.49 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 1jvr h GLN 45 CO 0.07 0.00 -0.20 -0.07 -2.65 0.00 0.00 178.83 175.98 1jvr h LEU 46 N 0.00 0.00 -2.39 -2.39 3.38 -1.85 -3.10 115.31 108.96 1jvr h LEU 46 Ca 0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1jvr h LEU 46 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jvr h LEU 46 CO -0.00 0.78 0.20 -0.09 0.09 0.00 0.00 178.44 179.42 1jvr h ARG 47 N -1.00 0.00 -0.30 1.13 1.12 0.00 1.33 114.38 116.66 1jvr h ARG 47 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1jvr h ARG 47 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1jvr h ARG 47 CO -0.02 0.00 0.00 -2.13 -3.11 0.00 0.00 179.97 174.71 1jvr n ARG 48 N -3.07 2.19 -0.02 0.20 0.00 -0.20 -3.57 116.66 112.19 1jvr n ARG 48 Ca -0.02 -1.80 -0.02 0.00 -0.00 0.00 0.00 57.85 56.01 1jvr n ARG 48 Cb 0.27 -1.46 -0.02 0.00 0.00 0.00 0.00 32.46 31.25 1jvr n ARG 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jvr n PHE 49 N 1.02 0.00 0.12 -0.14 7.35 0.42 -4.43 117.46 121.80 1jvr n PHE 49 Ca 0.18 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.74 1jvr n PHE 49 Cb 0.49 -0.13 -0.08 0.00 0.35 0.00 0.00 39.48 40.11 1jvr n PHE 49 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jvr h LEU 50 N 0.00 -0.29 -2.07 -2.13 3.38 -0.74 -2.38 115.31 111.07 1jvr h LEU 50 Ca -0.08 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.76 1jvr h LEU 50 Cb 1.13 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1jvr h LEU 50 CO -0.01 0.13 0.31 0.11 0.09 0.00 0.00 178.44 179.07 1jvr h LYS 51 N -0.79 0.00 0.14 1.13 1.79 -1.79 -0.12 116.57 116.94 1jvr h LYS 51 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1jvr h LYS 51 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1jvr h LYS 51 CO 0.06 0.00 -0.07 1.25 -1.08 0.00 0.00 179.45 179.61 1jvr h LEU 52 N 0.00 -0.16 -2.02 2.94 6.46 -1.72 -2.57 115.31 118.25 1jvr h LEU 52 Ca 0.17 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.75 1jvr h LEU 52 Cb 0.78 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 1jvr h LEU 52 CO -0.00 0.15 0.15 0.00 -0.62 0.00 0.00 178.44 178.12 1jvr h ALA 53 N 0.31 2.17 0.00 1.25 0.00 -0.54 0.59 119.26 123.05 1jvr h ALA 53 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jvr h ALA 53 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jvr h ALA 53 CO 0.03 -0.26 0.00 -0.11 0.00 0.00 0.00 179.25 178.91 1jvr n LEU 54 N -4.44 0.31 0.00 0.00 7.94 -0.64 -0.64 117.00 119.54 1jvr n LEU 54 Ca 0.02 0.61 0.12 0.00 -1.11 0.00 0.00 56.01 55.65 1jvr n LEU 54 Cb 0.29 -0.61 0.67 0.00 0.53 0.00 0.00 43.42 44.31 1jvr n LEU 54 CO 0.35 -0.59 0.91 0.29 -1.11 0.00 0.00 177.39 177.23 1jvr n LYS 55 N -1.89 0.56 -3.34 1.96 5.02 0.21 -4.29 118.16 116.39 1jvr n LYS 55 Ca 0.01 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 1jvr n LYS 55 Cb 0.10 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jvr s THR 56 N -2.28 -0.49 -1.13 -0.18 -1.32 0.19 -5.05 115.64 105.37 1jvr s THR 56 Ca 0.30 -0.58 -0.15 0.00 -1.21 0.00 0.00 61.69 60.05 1jvr s THR 56 Cb 0.17 -0.81 -0.07 0.00 -1.51 0.00 0.00 72.50 70.28 1jvr s THR 56 CO 0.33 -0.42 2.18 -0.81 -2.21 0.00 0.00 174.62 173.69 1jvr n PRO 57 N 4.87 2.32 -0.00 7.08 -0.04 -1.26 -3.92 135.00 144.06 1jvr n PRO 57 Ca 0.05 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1jvr n PRO 57 Cb 0.48 -2.96 -0.00 0.00 -0.04 0.00 0.00 33.50 30.98 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 5.12 0.00 0.02 0.52 0.13 -1.26 -4.43 119.36 119.45 1jvr n ILE 58 Ca 0.53 -0.00 0.07 0.00 -1.10 0.00 0.00 62.75 62.25 1jvr n ILE 58 Cb 0.34 0.14 -0.11 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 -1.63 0.41 0.01 9.51 4.27 -1.25 -3.98 117.44 124.78 1jvr n TRP 59 Ca -0.00 0.13 -0.13 0.00 -3.89 0.00 0.00 57.50 53.61 1jvr n TRP 59 Cb 0.12 -0.77 -0.10 0.00 -1.36 0.00 0.00 31.31 29.21 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 -0.07 -0.23 5.67 4.07 -1.83 0.23 115.31 123.14 1jvr h LEU 60 Ca -0.09 -0.49 0.04 0.00 0.08 0.00 0.00 57.88 57.43 1jvr h LEU 60 Cb 1.22 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.91 1jvr h LEU 60 CO 0.01 0.48 -0.53 0.78 -1.08 0.00 0.00 178.44 178.10 1jvr h ASN 61 N -0.65 -1.70 0.27 -0.43 4.21 -1.77 0.55 115.58 116.04 1jvr h ASN 61 Ca -0.01 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1jvr h ASN 61 Cb 0.55 0.68 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 1jvr h ASN 61 CO 0.01 -0.45 0.00 -0.81 -1.29 0.00 0.00 177.43 174.89 1jvr n PRO 62 N -5.42 0.48 -2.65 0.81 -0.04 -1.24 -4.95 135.00 122.00 1jvr n PRO 62 Ca -0.05 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 1jvr n PRO 62 Cb 0.37 -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 -1.18 -1.68 -3.20 0.52 0.13 0.19 -4.98 119.36 109.16 1jvr n ILE 63 Ca 0.13 0.37 0.04 0.00 -1.10 0.00 0.00 62.75 62.20 1jvr n ILE 63 Cb 0.14 -2.40 -0.02 0.00 -0.84 0.00 0.00 39.64 36.53 1jvr n ILE 63 CO 0.00 0.00 0.00 1.51 2.80 0.00 0.00 176.55 180.86 1jvr s ASP 64 N -0.81 -0.70 0.00 9.51 3.84 -0.87 -5.00 116.67 122.64 1jvr s ASP 64 Ca 0.02 0.53 0.06 0.00 -0.00 0.00 0.00 52.55 53.16 1jvr s ASP 64 Cb -0.00 1.62 0.26 0.00 -1.38 0.00 0.00 42.92 43.42 1jvr s ASP 64 CO 0.05 -0.13 1.19 0.00 -0.00 0.00 0.00 175.17 176.28 1jvr n TYR 65 N 5.37 0.00 0.30 2.11 4.19 -1.26 -1.93 117.16 125.94 1jvr n TYR 65 Ca -0.06 0.00 0.20 0.00 3.31 0.00 0.00 57.90 61.35 1jvr n TYR 65 Cb 0.53 -0.49 1.09 0.00 0.49 0.00 0.00 39.34 40.95 1jvr n TYR 65 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1jvr h SER 66 N 0.00 0.00 0.67 2.98 4.64 -1.96 0.47 113.55 120.34 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jvr h SER 66 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1jvr h SER 66 CO 0.00 0.00 -1.12 -0.11 -0.87 0.00 0.00 176.83 174.73 1jvr n LEU 67 N -2.91 0.63 0.22 5.97 0.00 -0.81 -3.94 117.00 116.17 1jvr n LEU 67 Ca -0.03 0.17 -0.09 0.00 0.00 0.00 0.00 56.01 56.06 1jvr n LEU 67 Cb 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 43.42 43.37 1jvr n LEU 67 CO 0.18 -0.08 0.28 -0.07 0.00 0.00 0.00 177.39 177.70 1jvr h LEU 68 N 0.00 -0.52 -1.74 -1.96 3.38 -0.23 -2.44 115.31 111.80 1jvr h LEU 68 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jvr h LEU 68 Cb 0.89 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1jvr h LEU 68 CO 0.00 -0.16 0.48 0.00 0.09 0.00 0.00 178.44 178.85 1jvr h ALA 69 N -1.30 1.73 -0.04 1.53 0.00 -1.67 1.13 119.26 120.64 1jvr h ALA 69 Ca -0.06 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1jvr h ALA 69 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jvr h ALA 69 CO 0.10 -0.58 -0.86 1.03 0.00 0.00 0.00 179.25 178.94 1jvr h SER 70 N 0.00 0.58 -0.84 0.00 0.87 -1.63 -3.15 113.55 109.37 1jvr h SER 70 Ca 0.09 -0.43 0.07 0.00 -1.23 0.00 0.00 61.79 60.29 1jvr h SER 70 Cb 1.05 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.77 1jvr h SER 70 CO -0.00 1.21 0.51 -0.07 -0.53 0.00 0.00 176.83 177.95 1jvr h LEU 71 N 0.28 0.78 -9.47 2.23 4.07 0.18 -3.41 115.31 109.98 1jvr h LEU 71 Ca -0.06 0.03 -0.53 0.00 0.08 0.00 0.00 57.88 57.39 1jvr h LEU 71 Cb 1.48 -0.13 0.02 0.00 1.08 0.00 0.00 40.66 43.11 1jvr h LEU 71 CO 0.15 0.49 0.94 -0.63 -1.08 0.00 0.00 178.44 178.31 1jvr s ILE 72 N -6.05 3.07 0.00 1.22 1.01 -1.15 -4.85 121.20 114.46 1jvr s ILE 72 Ca -0.13 0.58 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 1jvr s ILE 72 Cb 0.19 -3.37 -0.16 0.00 0.01 0.00 0.00 42.46 39.13 1jvr s ILE 72 CO 0.79 0.01 2.54 -0.81 0.00 0.00 0.00 174.94 177.46 1jvr n PRO 73 N 5.23 1.33 -0.76 2.79 -0.04 -1.26 -4.81 135.00 137.48 1jvr n PRO 73 Ca 0.15 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1jvr n PRO 73 Cb 0.41 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1jvr n PRO 73 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1jvr n LYS 74 N 2.40 -0.08 0.00 0.54 3.00 -1.26 -4.26 118.16 118.49 1jvr n LYS 74 Ca 0.25 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 1jvr n LYS 74 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.51 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 0.80 0.15 3.11 3.14 0.00 -1.26 -5.14 105.19 105.98 1jvr n GLY 75 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1jvr n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jvr n TYR 76 N 0.00 -2.38 -0.92 1.61 9.36 -1.26 -4.97 117.16 118.60 1jvr n TYR 76 Ca 0.00 0.32 -0.07 0.00 3.32 0.00 0.00 57.90 61.48 1jvr n TYR 76 Cb 0.00 -1.48 0.05 0.00 -0.63 0.00 0.00 39.34 37.28 1jvr n TYR 76 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1jvr n PRO 77 N 1.04 -0.88 -0.23 2.98 -0.04 -1.26 -4.92 135.00 131.69 1jvr n PRO 77 Ca -0.00 -0.43 0.03 0.00 -0.04 0.00 0.00 63.50 63.05 1jvr n PRO 77 Cb 0.65 -0.34 -0.01 0.00 -0.04 0.00 0.00 33.50 33.76 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 1.95 -0.47 1.34 0.55 0.00 -1.26 -4.17 105.19 103.11 1jvr n GLY 78 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1jvr n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jvr n ARG 79 N -1.21 2.93 -0.19 1.61 0.63 -1.26 -4.60 116.66 114.58 1jvr n ARG 79 Ca 0.00 -3.01 -0.04 0.00 -0.92 0.00 0.00 57.85 53.88 1jvr n ARG 79 Cb 0.11 -1.97 0.06 0.00 0.45 0.00 0.00 32.46 31.11 1jvr n ARG 79 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 1jvr h VAL 80 N 1.90 1.01 -0.72 5.15 3.04 -1.94 -1.13 116.25 123.56 1jvr h VAL 80 Ca 0.15 -0.21 -0.06 0.00 -1.01 0.00 0.00 66.70 65.57 1jvr h VAL 80 Cb 1.81 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 31.40 1jvr h VAL 80 CO 0.44 0.11 0.23 0.58 -1.01 0.00 0.00 177.57 177.93 1jvr h VAL 81 N 0.62 1.26 -0.25 1.51 2.07 -1.82 -1.46 116.25 118.17 1jvr h VAL 81 Ca 0.24 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.95 1jvr h VAL 81 Cb 0.09 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1jvr h VAL 81 CO -0.13 0.35 0.23 -0.33 0.02 0.00 0.00 177.57 177.70 1jvr h GLU 82 N 1.07 0.00 0.00 1.57 4.39 -1.55 1.00 114.58 121.06 1jvr h GLU 82 Ca 0.23 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.78 1jvr h GLU 82 Cb 0.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1jvr h GLU 82 CO -0.01 0.00 -0.74 0.82 -1.16 0.00 0.00 179.01 177.92 1jvr h ILE 83 N 0.00 1.37 0.16 3.13 2.04 -0.60 -3.19 117.51 120.43 1jvr h ILE 83 Ca 0.12 -2.68 -0.34 0.00 1.00 0.00 0.00 64.86 62.96 1jvr h ILE 83 Cb 0.57 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1jvr h ILE 83 CO -0.00 0.73 -1.67 0.40 0.00 0.00 0.00 178.15 177.61 1jvr h ILE 84 N 0.00 1.02 -0.47 -0.67 2.04 0.17 -3.27 117.51 116.32 1jvr h ILE 84 Ca -0.01 -2.62 0.14 0.00 1.00 0.00 0.00 64.86 63.37 1jvr h ILE 84 Cb 1.45 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 40.28 1jvr h ILE 84 CO 0.10 0.84 0.46 0.78 0.00 0.00 0.00 178.15 180.33 1jvr h ASN 85 N 0.09 0.00 0.31 1.72 2.35 0.72 1.00 115.58 121.76 1jvr h ASN 85 Ca -0.31 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.22 1jvr h ASN 85 Cb 2.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.45 1jvr h ASN 85 CO 0.18 0.00 -0.94 0.40 -1.65 0.00 0.00 177.43 175.42 1jvr h ILE 86 N 0.00 1.39 0.01 2.81 2.04 -1.60 -1.41 117.51 120.75 1jvr h ILE 86 Ca 0.23 -2.42 -0.19 0.00 1.00 0.00 0.00 64.86 63.47 1jvr h ILE 86 Cb 1.15 2.40 0.02 0.00 -0.74 0.00 0.00 36.82 39.65 1jvr h ILE 86 CO -0.00 0.72 -0.76 -0.07 0.00 0.00 0.00 178.15 178.04 1jvr h LEU 87 N 0.25 0.65 -0.30 1.44 3.38 0.57 -3.02 115.31 118.28 1jvr h LEU 87 Ca -0.08 -0.77 0.01 0.00 0.09 0.00 0.00 57.88 57.13 1jvr h LEU 87 Cb 1.57 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1jvr h LEU 87 CO 0.16 1.34 0.19 0.58 0.09 0.00 0.00 178.44 180.80 1jvr h VAL 88 N 0.04 1.06 0.00 1.22 2.07 0.29 0.18 116.25 121.11 1jvr h VAL 88 Ca -0.10 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1jvr h VAL 88 Cb 1.46 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1jvr h VAL 88 CO 0.15 0.07 0.00 0.50 0.02 0.00 0.00 177.57 178.31 1jvr h LYS 89 N 0.39 0.00 0.00 1.57 1.63 -1.31 0.79 116.57 119.65 1jvr h LYS 89 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1jvr h LYS 89 Cb -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1jvr h LYS 89 CO -0.03 0.00 -1.18 -1.71 -3.45 0.00 0.00 179.45 173.07 1jvr n ASN 90 N -2.54 0.60 -2.45 4.20 5.15 0.39 -4.26 115.26 116.35 1jvr n ASN 90 Ca -0.02 -0.37 -0.13 0.00 -0.60 0.00 0.00 54.58 53.46 1jvr n ASN 90 Cb 0.05 1.05 0.03 0.00 -0.53 0.00 0.00 39.78 40.38 1jvr n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jvr n GLN 91 N -1.89 2.61 -0.10 1.20 1.13 0.24 -4.75 117.38 115.81 1jvr n GLN 91 Ca 0.01 -3.85 -0.14 0.00 -1.94 0.00 0.00 57.00 51.08 1jvr n GLN 91 Cb 0.43 -1.91 -0.10 0.00 0.11 0.00 0.00 30.24 28.77 1jvr n GLN 91 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1jvr n VAL 92 N -0.58 1.19 0.13 5.09 0.24 0.66 -4.56 118.33 120.51 1jvr n VAL 92 Ca 0.25 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 1jvr n VAL 92 Cb 0.86 -1.19 -0.06 0.00 -1.47 0.00 0.00 33.84 31.98 1jvr n VAL 92 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1jvr h SER 93 N 0.00 -0.69 -0.84 -1.34 0.02 -1.85 -3.41 113.55 105.44 1jvr h SER 93 Ca -0.47 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1jvr h SER 93 Cb 1.75 0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1jvr h SER 93 CO -0.06 -0.34 0.00 -0.81 -1.14 0.00 0.00 176.83 174.47 1jvr n PRO 94 N -5.37 0.28 0.00 3.45 -0.04 -1.26 -4.27 135.00 127.79 1jvr n PRO 94 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1jvr n PRO 94 Cb 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 1jvr n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr n SER 95 N -1.44 0.00 -0.29 3.54 2.88 -1.26 -4.40 113.62 112.65 1jvr n SER 95 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1jvr n SER 95 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jvr h ALA 96 N 0.00 0.02 -2.42 -1.46 0.00 -1.79 -3.40 119.26 110.21 1jvr h ALA 96 Ca 0.00 0.21 -0.49 0.00 0.00 0.00 0.00 54.91 54.64 1jvr h ALA 96 Cb 0.00 0.91 0.11 0.00 0.00 0.00 0.00 17.79 18.81 1jvr h ALA 96 CO 0.00 -0.67 0.34 -1.25 0.00 0.00 0.00 179.25 177.67 1jvr s PRO 97 N -5.95 2.05 -0.80 0.00 0.04 -1.26 -4.97 135.00 124.10 1jvr s PRO 97 Ca -0.14 0.62 -0.21 0.00 0.04 0.00 0.00 61.00 61.32 1jvr s PRO 97 Cb 0.18 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.90 1jvr s PRO 97 CO 0.70 -1.64 1.05 0.00 0.04 0.00 0.00 177.00 177.15 1jvr s ALA 98 N -3.16 3.23 -0.49 8.56 0.00 -1.26 -4.88 121.76 123.76 1jvr s ALA 98 Ca 0.61 -2.33 0.07 0.00 0.00 0.00 0.00 51.96 50.31 1jvr s ALA 98 Cb -0.14 -3.97 0.25 0.00 0.00 0.00 0.00 23.12 19.26 1jvr s ALA 98 CO 0.54 -2.89 0.61 0.00 0.00 0.00 0.00 175.76 174.02 1jvr n ALA 99 N 7.13 3.11 -0.03 0.00 0.00 -1.26 -4.92 120.51 124.53 1jvr n ALA 99 Ca 0.11 -3.97 -0.14 0.00 0.00 0.00 0.00 53.44 49.44 1jvr n ALA 99 Cb 0.47 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.96 1jvr n ALA 99 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jvr h PRO 100 N 4.08 0.11 0.02 0.00 0.13 -1.99 -3.35 132.00 130.98 1jvr h PRO 100 Ca 0.12 -0.10 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 1jvr h PRO 100 Cb 0.79 0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.95 1jvr h PRO 100 CO 0.62 0.83 -0.35 0.28 -0.23 0.00 0.00 178.00 179.15 1jvr h VAL 101 N -0.58 1.55 -4.27 1.56 2.07 -2.03 -3.46 116.25 111.09 1jvr h VAL 101 Ca -0.01 -2.09 -0.48 0.00 0.82 0.00 0.00 66.70 64.94 1jvr h VAL 101 Cb 0.87 2.87 0.12 0.00 -1.52 0.00 0.00 31.29 33.63 1jvr h VAL 101 CO 0.03 0.58 0.32 -2.16 0.02 0.00 0.00 177.57 176.36 1jvr s PRO 102 N -2.94 1.75 0.04 1.57 0.04 -1.26 -5.09 135.00 129.10 1jvr s PRO 102 Ca -0.15 0.52 -0.25 0.00 0.04 0.00 0.00 61.00 61.15 1jvr s PRO 102 Cb 0.01 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.72 1jvr s PRO 102 CO 0.76 -1.83 0.58 -0.08 0.04 0.00 0.00 177.00 176.47 1jvr s THR 103 N -3.20 0.02 0.92 1.26 -1.32 -1.26 -4.81 115.64 107.25 1jvr s THR 103 Ca 0.62 -0.13 -0.16 0.00 -1.21 0.00 0.00 61.69 60.81 1jvr s THR 103 Cb -0.15 -0.98 0.22 0.00 -1.51 0.00 0.00 72.50 70.08 1jvr s THR 103 CO 0.54 -0.07 1.01 -0.81 -2.21 0.00 0.00 174.62 173.08 1jvr n PRO 104 N 0.41 -1.93 -0.32 7.08 -0.04 -1.26 -4.91 135.00 134.03 1jvr n PRO 104 Ca -0.18 -1.59 0.13 0.00 -0.04 0.00 0.00 63.50 61.82 1jvr n PRO 104 Cb 0.60 -1.25 0.36 0.00 -0.04 0.00 0.00 33.50 33.17 1jvr n PRO 104 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1jvr h ILE 105 N -2.08 0.75 -1.20 0.52 6.09 -2.02 -3.41 117.51 116.16 1jvr h ILE 105 Ca -0.35 -0.24 -0.79 0.00 -1.37 0.00 0.00 64.86 62.11 1jvr h ILE 105 Cb 1.02 -0.02 0.01 0.00 0.47 0.00 0.00 36.82 38.29 1jvr h ILE 105 CO 0.24 0.13 0.90 0.00 -3.07 0.00 0.00 178.15 176.35 1jvr n PRO 107 N 5.29 2.26 -0.36 0.00 -0.04 -1.26 -4.66 135.00 136.24 1jvr n PRO 107 Ca 0.31 -1.36 0.03 0.00 -0.04 0.00 0.00 63.50 62.45 1jvr n PRO 107 Cb 0.06 -2.30 0.10 0.00 -0.04 0.00 0.00 33.50 31.31 1jvr n PRO 107 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1jvr h THR 108 N 2.84 0.02 -3.41 0.52 1.35 -1.87 -3.38 112.91 108.97 1jvr h THR 108 Ca 0.45 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 66.02 1jvr h THR 108 Cb 0.59 0.02 -0.34 0.00 -1.73 0.00 0.00 68.15 66.69 1jvr h THR 108 CO 1.06 0.00 -0.69 0.42 -0.25 0.00 0.00 175.52 176.06 1jvr s THR 109 N -6.14 -0.07 0.51 6.82 -4.23 -1.26 -5.09 115.64 106.17 1jvr s THR 109 Ca -0.15 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1jvr s THR 109 Cb 0.24 -0.14 0.00 0.00 1.34 0.00 0.00 72.50 73.94 1jvr s THR 109 CO 0.75 0.10 0.00 0.41 -0.54 0.00 0.00 174.62 175.34 1jvr n THR 110 N 4.38 -3.36 -2.37 3.99 -1.04 -1.26 -4.73 114.28 109.88 1jvr n THR 110 Ca -0.24 1.59 -0.43 0.00 -2.04 0.00 0.00 64.05 62.93 1jvr n THR 110 Cb 0.50 -2.43 -0.02 0.00 -1.82 0.00 0.00 70.33 66.56 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 -4.81 3.80 0.96 -2.82 0.04 -1.26 -4.80 135.00 126.10 1jvr s PRO 111 Ca 0.00 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 1jvr s PRO 111 Cb 0.00 -3.94 0.17 0.00 0.04 0.00 0.00 34.50 30.77 1jvr s PRO 111 CO 0.00 -1.27 1.16 -1.25 0.04 0.00 0.00 177.00 175.68 1jvr s PRO 112 N 4.45 0.75 -0.32 0.56 0.04 -1.26 -4.97 135.00 134.25 1jvr s PRO 112 Ca 0.59 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 1jvr s PRO 112 Cb -0.16 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1jvr s PRO 112 CO 0.27 -2.43 1.36 -1.25 0.04 0.00 0.00 177.00 174.99 1jvr s PRO 113 N -5.38 3.80 -0.32 0.56 0.04 -1.26 -4.97 135.00 127.46 1jvr s PRO 113 Ca 0.66 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1jvr s PRO 113 Cb -0.12 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1jvr s PRO 113 CO 0.54 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.42 1jvr s PRO 114 N 4.44 3.80 0.61 0.56 0.04 -1.26 -5.01 135.00 138.19 1jvr s PRO 114 Ca 0.59 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 1jvr s PRO 114 Cb -0.17 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 1jvr s PRO 114 CO 0.26 -1.27 1.05 -1.25 0.04 0.00 0.00 177.00 175.84 1jvr s PRO 115 N 4.44 3.30 0.82 0.56 0.04 -1.26 -5.05 135.00 137.85 1jvr s PRO 115 Ca 0.59 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1jvr s PRO 115 Cb -0.17 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.42 1jvr s PRO 115 CO 0.26 -0.82 1.10 -1.25 0.04 0.00 0.00 177.00 176.34 1jvr s PRO 116 N -4.30 1.92 -1.05 0.56 0.04 -1.26 -4.89 135.00 126.01 1jvr s PRO 116 Ca 0.62 0.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.16 1jvr s PRO 116 Cb -0.15 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1jvr s PRO 116 CO 0.41 -1.72 2.53 -0.35 0.04 0.00 0.00 177.00 177.91 1jvr n PRO 117 N -3.49 2.61 -0.03 0.56 -0.04 -1.26 -4.42 135.00 128.93 1jvr n PRO 117 Ca 0.07 -1.63 -0.09 0.00 -0.04 0.00 0.00 63.50 61.80 1jvr n PRO 117 Cb 0.57 -2.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.45 1jvr n PRO 117 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1jvr h SER 118 N 5.47 -0.05 0.00 3.54 0.87 -2.00 -3.37 113.55 118.02 1jvr h SER 118 Ca 0.59 -0.53 -0.62 0.00 -1.23 0.00 0.00 61.79 60.00 1jvr h SER 118 Cb 0.34 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1jvr h SER 118 CO 1.41 0.68 2.84 -0.81 -0.53 0.00 0.00 176.83 180.43 1jvr n PRO 119 N -4.74 2.34 -3.30 2.24 -0.04 -1.26 -4.63 135.00 125.61 1jvr n PRO 119 Ca -0.06 -2.06 -0.25 0.00 -0.04 0.00 0.00 63.50 61.09 1jvr n PRO 119 Cb 0.28 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 30.74 1jvr n PRO 119 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jvr n GLU 120 N 5.72 1.69 -1.41 0.54 4.71 -1.26 -5.06 120.64 125.56 1jvr n GLU 120 Ca 0.53 -3.99 0.00 0.00 -0.01 0.00 0.00 57.16 53.70 1jvr n GLU 120 Cb 0.32 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jvr n ALA 121 N 1.05 -1.85 0.03 0.62 0.00 -1.26 -5.05 120.51 114.05 1jvr n ALA 121 Ca 0.26 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1jvr n ALA 121 Cb 0.47 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1jvr n ALA 121 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1jvr n HIS 122 N -1.51 -2.07 -3.28 0.00 1.44 -1.26 -5.10 115.22 103.44 1jvr n HIS 122 Ca 0.00 0.21 -0.12 0.00 -2.01 0.00 0.00 57.72 55.80 1jvr n HIS 122 Cb 0.16 0.81 0.01 0.00 0.12 0.00 0.00 29.99 31.10 1jvr n HIS 122 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1jvr n VAL 123 N -2.60 -2.85 -1.55 0.61 3.14 -1.26 -4.92 118.33 108.91 1jvr n VAL 123 Ca 0.00 0.40 -0.30 0.00 -2.96 0.00 0.00 64.34 61.49 1jvr n VAL 123 Cb 0.00 -3.27 0.11 0.00 -1.06 0.00 0.00 33.84 29.61 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 -1.47 1.77 0.61 1.45 0.04 -1.26 -5.04 135.00 131.10 1jvr s PRO 124 Ca 0.12 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.53 1jvr s PRO 124 Cb -0.01 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1jvr s PRO 124 CO 0.29 -1.82 1.05 -1.25 0.04 0.00 0.00 177.00 175.32 1jvr s PRO 125 N -5.20 3.28 0.10 0.56 0.04 -1.26 -4.98 135.00 127.54 1jvr s PRO 125 Ca 0.62 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1jvr s PRO 125 Cb -0.14 -2.03 -0.16 0.00 0.04 0.00 0.00 34.50 32.20 1jvr s PRO 125 CO 0.54 -0.83 1.26 -1.00 0.04 0.00 0.00 177.00 177.01 1jvr h PRO 126 N 0.18 0.67 -6.59 0.56 0.13 -2.05 -3.45 132.00 121.44 1jvr h PRO 126 Ca -0.46 -0.65 -0.50 0.00 -0.87 0.00 0.00 66.00 63.53 1jvr h PRO 126 Cb 1.21 0.17 0.01 0.00 0.13 0.00 0.00 31.00 32.52 1jvr h PRO 126 CO 0.58 1.25 -0.10 -0.47 -0.23 0.00 0.00 178.00 179.02 1jvr s TYR 127 N -3.47 3.50 -0.34 1.56 6.14 -1.26 -5.08 117.35 118.40 1jvr s TYR 127 Ca -0.09 0.58 0.01 0.00 0.64 0.00 0.00 57.07 58.20 1jvr s TYR 127 Cb 0.08 -2.07 0.14 0.00 0.42 0.00 0.00 41.96 40.53 1jvr s TYR 127 CO 0.90 0.06 0.27 0.14 0.64 0.00 0.00 175.55 177.56 1jvr s VAL 128 N -2.30 -0.13 -0.11 3.14 -7.23 -1.26 -4.98 120.40 107.53 1jvr s VAL 128 Ca 0.43 -1.19 -0.23 0.00 -1.81 0.00 0.00 61.98 59.18 1jvr s VAL 128 Cb -0.10 -0.92 -0.20 0.00 0.56 0.00 0.00 36.38 35.72 1jvr s VAL 128 CO 0.35 -0.75 0.72 -0.33 -0.31 0.00 0.00 175.10 174.78 1jvr h GLU 129 N 7.34 -0.03 -2.82 4.82 4.39 -1.97 -3.35 114.58 122.95 1jvr h GLU 129 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1jvr h GLU 129 Cb 1.02 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1jvr h GLU 129 CO 0.27 0.70 1.74 -0.35 -1.16 0.00 0.00 179.01 180.21 1jvr n PRO 130 N -4.70 2.24 -4.19 2.33 -0.04 -1.26 -4.59 135.00 124.79 1jvr n PRO 130 Ca -0.08 -1.34 -0.29 0.00 -0.04 0.00 0.00 63.50 61.74 1jvr n PRO 130 Cb 0.36 -2.29 -0.09 0.00 -0.04 0.00 0.00 33.50 31.43 1jvr n PRO 130 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 131 N 3.38 -0.87 0.00 0.52 5.66 -1.26 -4.04 114.28 117.67 1jvr n THR 131 Ca 0.48 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1jvr n THR 131 Cb 0.39 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.28 1jvr n THR 131 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1jvr n THR 132 N -4.29 0.00 -1.60 1.09 -1.04 -1.26 -4.62 114.28 102.57 1jvr n THR 132 Ca -0.28 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.18 1jvr n THR 132 Cb 0.63 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.08 1jvr n THR 132 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jvr n THR 133 N 0.00 0.05 0.00 12.58 -2.24 -1.26 -4.62 114.28 118.79 1jvr n THR 133 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1jvr n THR 133 Cb 0.00 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 2.84 0.00 -4.43 -0.78 10.64 -1.26 -4.77 117.38 119.62 1jvr n GLN 134 Ca 0.20 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.15 1jvr n GLN 134 Cb 0.15 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.43 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23