#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 0.99 -0.35 -1.40 2.00 -1.26 -4.41 117.12 112.69 1jvr n MET 1 Ca 0.00 0.31 0.05 0.00 0.00 0.00 0.00 57.70 58.06 1jvr n MET 1 Cb 0.00 -2.23 0.13 0.00 0.00 0.00 0.00 33.22 31.12 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 5.91 -1.66 3.69 3.03 0.00 -1.26 -1.68 105.19 113.21 1jvr n GLY 2 Ca 0.38 1.04 -0.30 0.00 0.00 0.00 0.00 46.02 47.14 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 -6.20 1.15 0.00 1.61 -2.07 -1.26 -2.48 119.66 110.41 1jvr s GLN 3 Ca -0.14 1.15 0.00 0.00 -1.82 0.00 0.00 55.36 54.55 1jvr s GLN 3 Cb 0.26 -1.77 0.00 0.00 -1.09 0.00 0.00 33.01 30.41 1jvr s GLN 3 CO 0.75 -2.41 0.00 -0.89 -1.32 0.00 0.00 175.29 171.42 1jvr n ILE 4 N -4.04 0.00 -3.18 3.63 2.08 -1.26 -3.75 119.36 112.83 1jvr n ILE 4 Ca 0.09 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.41 1jvr n ILE 4 Cb 0.53 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.42 1jvr n ILE 4 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1jvr s HIS 5 N 0.00 -1.71 -0.76 1.39 3.76 -1.24 -5.04 115.29 111.68 1jvr s HIS 5 Ca 0.00 0.45 -0.08 0.00 -0.15 0.00 0.00 55.06 55.28 1jvr s HIS 5 Cb 0.00 0.31 -0.18 0.00 1.11 0.00 0.00 32.58 33.82 1jvr s HIS 5 CO 0.00 -1.12 3.26 0.41 -0.85 0.00 0.00 174.74 176.44 1jvr n GLY 6 N 4.64 3.55 0.47 -2.22 0.00 -0.68 -3.82 105.19 107.14 1jvr n GLY 6 Ca 0.09 -1.32 0.00 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 3.04 -0.44 -2.49 0.99 0.00 -1.26 -4.83 117.00 112.01 1jvr n LEU 7 Ca 0.59 0.27 -0.06 0.00 0.00 0.00 0.00 56.01 56.81 1jvr n LEU 7 Cb 0.58 0.64 0.01 0.00 0.00 0.00 0.00 43.42 44.65 1jvr n LEU 7 CO 0.47 -0.03 0.01 -1.20 0.00 0.00 0.00 177.39 176.65 1jvr n SER 8 N -2.34 -6.39 -4.69 1.96 7.64 -1.25 -4.94 113.62 103.61 1jvr n SER 8 Ca 0.00 0.44 -0.42 0.00 1.01 0.00 0.00 58.87 59.90 1jvr n SER 8 Cb 0.00 -4.24 -0.03 0.00 -1.01 0.00 0.00 64.21 58.93 1jvr n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jvr s PRO 9 N -2.12 4.37 -0.84 1.43 0.04 -1.26 -4.84 135.00 131.77 1jvr s PRO 9 Ca 0.17 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.69 1jvr s PRO 9 Cb -0.05 -3.51 -0.21 0.00 0.04 0.00 0.00 34.50 30.77 1jvr s PRO 9 CO 0.57 -0.40 2.17 0.25 0.04 0.00 0.00 177.00 179.62 1jvr n THR 10 N 4.46 0.00 -0.03 1.26 -2.24 -1.26 -4.74 114.28 111.72 1jvr n THR 10 Ca 0.10 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1jvr n THR 10 Cb 0.46 -0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 1jvr n THR 10 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1jvr h PRO 11 N 9.93 -0.02 -6.74 -0.78 0.13 -2.03 -3.47 132.00 129.01 1jvr h PRO 11 Ca -0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.77 1jvr h PRO 11 Cb 1.07 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1jvr h PRO 11 CO 1.22 0.68 -0.63 0.44 -0.23 0.00 0.00 178.00 179.48 1jvr n ILE 12 N -4.75 -1.69 0.04 -3.56 -6.64 -1.26 -4.80 119.36 96.69 1jvr n ILE 12 Ca -0.09 -0.22 -0.16 0.00 -1.77 0.00 0.00 62.75 60.51 1jvr n ILE 12 Cb 0.35 -1.47 -0.06 0.00 -1.44 0.00 0.00 39.64 37.02 1jvr n ILE 12 CO 0.00 0.00 0.00 1.55 -1.77 0.00 0.00 176.55 176.33 1jvr h PRO 13 N -0.12 0.58 0.00 6.28 0.13 -1.99 -3.46 132.00 133.41 1jvr h PRO 13 Ca -0.41 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 1jvr h PRO 13 Cb 0.84 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1jvr h PRO 13 CO 0.28 1.19 0.00 1.17 -0.23 0.00 0.00 178.00 180.40 1jvr n LYS 14 N -3.83 0.00 -1.46 0.86 0.00 -1.26 -4.83 118.16 107.63 1jvr n LYS 14 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.83 1jvr n LYS 14 Cb 0.81 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.70 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jvr n ALA 15 N 0.00 0.29 -0.88 3.14 0.00 -1.26 -4.68 120.51 117.12 1jvr n ALA 15 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1jvr n ALA 15 Cb 0.00 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.17 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 8.24 2.24 -2.23 0.00 -0.04 -1.26 -4.68 135.00 137.28 1jvr n PRO 16 Ca 0.64 -1.34 -0.01 0.00 -0.04 0.00 0.00 63.50 62.75 1jvr n PRO 16 Cb 0.03 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.39 -4.29 0.00 0.54 1.74 -1.26 -5.06 116.66 111.72 1jvr n ARG 17 Ca 0.48 3.22 0.00 0.00 -0.77 0.00 0.00 57.85 60.77 1jvr n ARG 17 Cb 0.39 -4.21 0.00 0.00 -1.02 0.00 0.00 32.46 27.62 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jvr n GLY 18 N 1.53 -0.61 2.66 -0.13 0.00 -1.26 -5.00 105.19 102.37 1jvr n GLY 18 Ca -0.11 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1jvr n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jvr n LEU 19 N -1.89 1.67 0.00 0.99 4.77 -1.26 -5.12 117.00 116.16 1jvr n LEU 19 Ca 0.00 -3.77 0.00 0.00 -0.03 0.00 0.00 56.01 52.21 1jvr n LEU 19 Cb 0.00 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1jvr n LEU 19 CO 0.00 1.57 0.00 -1.20 -1.33 0.00 0.00 177.39 176.43 1jvr n SER 20 N -0.12 0.00 -3.81 -1.43 7.64 -1.26 -4.55 113.62 110.08 1jvr n SER 20 Ca 0.11 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.85 1jvr n SER 20 Cb 0.81 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.93 1jvr n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jvr s THR 21 N 0.00 0.00 0.00 0.44 2.01 -1.26 -4.81 115.64 112.02 1jvr s THR 21 Ca 0.00 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.15 1jvr s THR 21 Cb 0.00 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 70.03 1jvr s THR 21 CO 0.00 0.00 0.00 1.57 -0.69 0.00 0.00 174.62 175.50 1jvr n HIS 22 N -0.42 0.00 0.01 4.92 -0.00 -1.26 -4.52 115.22 113.94 1jvr n HIS 22 Ca 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.62 1jvr n HIS 22 Cb 0.64 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.55 1jvr n HIS 22 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1jvr h HIS 23 N 0.00 0.03 -0.27 1.57 2.07 -1.90 -0.37 115.15 116.28 1jvr h HIS 23 Ca 0.00 -0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 1jvr h HIS 23 Cb 0.00 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 29.96 1jvr h HIS 23 CO 0.00 0.24 -0.17 2.35 -3.07 0.00 0.00 177.93 177.27 1jvr h TRP 24 N -0.18 0.69 -0.65 6.12 2.91 -1.80 -2.40 115.95 120.64 1jvr h TRP 24 Ca 0.01 -0.18 0.19 0.00 1.13 0.00 0.00 58.89 60.03 1jvr h TRP 24 Cb 0.22 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 1jvr h TRP 24 CO -0.00 0.86 0.50 1.25 -1.03 0.00 0.00 178.44 180.02 1jvr h LEU 25 N 0.32 0.00 -1.44 0.65 5.85 -1.86 1.64 115.31 120.46 1jvr h LEU 25 Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1jvr h LEU 25 Cb 0.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1jvr h LEU 25 CO 0.05 0.00 -0.12 -1.13 -0.34 0.00 0.00 178.44 176.90 1jvr h ASN 26 N 0.00 0.00 0.18 1.25 -1.24 -0.53 -0.70 115.58 114.53 1jvr h ASN 26 Ca 0.31 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.96 1jvr h ASN 26 Cb 1.30 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.32 1jvr h ASN 26 CO -0.00 0.12 -2.02 0.33 -1.29 0.00 0.00 177.43 174.56 1jvr n PHE 27 N -3.30 1.00 0.16 0.67 -0.00 0.54 -3.53 117.46 113.00 1jvr n PHE 27 Ca -0.00 0.24 0.02 0.00 -0.00 0.00 0.00 57.45 57.70 1jvr n PHE 27 Cb 0.34 -1.14 0.33 0.00 -0.00 0.00 0.00 39.48 39.01 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 0.06 0.08 -2.13 5.85 -0.73 -0.99 115.31 117.49 1jvr h LEU 28 Ca -0.42 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1jvr h LEU 28 Cb 2.02 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1jvr h LEU 28 CO 0.06 0.43 -0.04 1.56 -0.34 0.00 0.00 178.44 180.11 1jvr h GLN 29 N 0.05 -0.10 -0.50 1.25 4.20 -1.27 -1.89 115.11 116.85 1jvr h GLN 29 Ca 0.00 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1jvr h GLN 29 Cb 0.68 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1jvr h GLN 29 CO 0.05 0.28 0.32 0.00 -0.67 0.00 0.00 178.83 178.81 1jvr h ALA 30 N 0.37 0.64 0.00 3.87 0.00 -1.57 0.25 119.26 122.81 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 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jvr h ALA 30 CO 0.02 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1jvr n ALA 31 N -2.25 1.23 0.03 0.00 0.00 -0.39 -0.53 120.51 118.60 1jvr n ALA 31 Ca 0.03 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.72 1jvr n ALA 31 Cb 0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 1jvr n ALA 31 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1jvr n TYR 32 N -2.16 0.39 0.06 0.00 4.19 0.69 -4.13 117.16 116.20 1jvr n TYR 32 Ca -0.00 0.12 -0.04 0.00 3.31 0.00 0.00 57.90 61.29 1jvr n TYR 32 Cb 0.09 -0.70 -0.08 0.00 0.49 0.00 0.00 39.34 39.14 1jvr n TYR 32 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 1jvr h ARG 33 N 0.00 0.00 0.00 2.98 9.65 0.12 -3.46 114.38 123.66 1jvr h ARG 33 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1jvr h ARG 33 Cb 1.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1jvr h ARG 33 CO 0.00 0.66 0.00 1.28 2.80 0.00 0.00 179.97 184.71 1jvr n LEU 34 N -3.18 0.00 -4.77 3.80 4.77 -0.65 -4.95 117.00 112.02 1jvr n LEU 34 Ca -0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1jvr n LEU 34 Cb 0.89 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1jvr n LEU 34 CO 0.44 -0.10 1.17 0.00 -1.33 0.00 0.00 177.39 177.57 1jvr s GLN 35 N 0.00 4.10 0.00 3.23 0.00 -1.26 -5.00 119.66 120.72 1jvr s GLN 35 Ca 0.00 2.59 0.00 0.00 -0.00 0.00 0.00 55.36 57.95 1jvr s GLN 35 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 33.01 30.04 1jvr s GLN 35 CO 0.00 -0.57 0.00 -0.35 0.00 0.00 0.00 175.29 174.37 1jvr n PRO 36 N 0.78 -0.21 0.00 9.60 -0.04 -1.26 -4.90 135.00 138.97 1jvr n PRO 36 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1jvr n PRO 36 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1jvr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvr n GLY 37 N 3.75 0.28 0.00 0.55 0.00 -1.26 -5.09 105.19 103.42 1jvr n GLY 37 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.10 0.64 -0.15 1.61 -0.04 -1.26 -4.91 135.00 130.78 1jvr n PRO 38 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1jvr n PRO 38 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1jvr n PRO 38 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr n SER 39 N -0.73 -0.39 -4.71 3.54 2.88 -1.26 -4.10 113.62 108.86 1jvr n SER 39 Ca 0.00 1.23 -0.42 0.00 -1.33 0.00 0.00 58.87 58.35 1jvr n SER 39 Cb 0.00 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 1jvr n SER 39 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1jvr s ASP 40 N -3.97 7.30 -0.26 -3.46 1.01 -1.26 -4.93 116.67 111.09 1jvr s ASP 40 Ca -0.04 1.57 0.11 0.00 0.71 0.00 0.00 52.55 54.90 1jvr s ASP 40 Cb 0.04 -2.54 0.53 0.00 1.01 0.00 0.00 42.92 41.96 1jvr s ASP 40 CO 0.23 -0.25 1.49 0.49 0.21 0.00 0.00 175.17 177.34 1jvr n PHE 41 N 3.96 1.22 -2.66 4.23 3.01 -1.26 -4.90 117.46 121.06 1jvr n PHE 41 Ca 0.05 -1.36 -0.11 0.00 1.01 0.00 0.00 57.45 57.04 1jvr n PHE 41 Cb 0.51 -0.47 0.02 0.00 -0.01 0.00 0.00 39.48 39.53 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1jvr n ASP 42 N -0.89 -3.88 0.00 4.37 9.92 -1.26 -4.87 116.55 119.93 1jvr n ASP 42 Ca 0.31 -0.15 0.05 0.00 -0.53 0.00 0.00 54.79 54.47 1jvr n ASP 42 Cb 1.04 -2.76 0.26 0.00 -0.64 0.00 0.00 41.12 39.02 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1jvr n PHE 43 N -3.88 0.00 0.18 1.24 3.72 -1.26 -2.85 117.46 114.61 1jvr n PHE 43 Ca -0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.21 1jvr n PHE 43 Cb 0.56 -0.38 -0.08 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.48 0.00 -1.08 5.75 -1.98 0.23 115.11 117.55 1jvr h GLN 44 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1jvr h GLN 44 Cb 0.14 0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.80 1jvr h GLN 44 CO 0.00 -0.16 0.03 0.37 -2.65 0.00 0.00 178.83 176.42 1jvr h GLN 45 N -0.86 0.00 0.00 1.69 4.15 -1.93 -0.06 115.11 118.10 1jvr h GLN 45 Ca -0.05 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1jvr h GLN 45 Cb 0.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1jvr h GLN 45 CO 0.08 0.00 -0.33 1.25 -1.93 0.00 0.00 178.83 177.90 1jvr h LEU 46 N 0.00 0.00 -2.19 -2.39 6.46 -1.57 -3.15 115.31 112.47 1jvr h LEU 46 Ca 0.00 -0.27 0.05 0.00 -0.12 0.00 0.00 57.88 57.55 1jvr h LEU 46 Cb 0.07 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1jvr h LEU 46 CO 0.00 0.82 0.27 -0.09 -0.62 0.00 0.00 178.44 178.81 1jvr h ARG 47 N -1.00 0.00 0.00 1.25 2.43 0.02 0.45 114.38 117.53 1jvr h ARG 47 Ca -0.05 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 1jvr h ARG 47 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1jvr h ARG 47 CO -0.03 0.00 -0.88 -0.09 -1.51 0.00 0.00 179.97 177.45 1jvr h ARG 48 N 0.00 0.21 0.16 0.20 2.43 -1.13 -1.70 114.38 114.55 1jvr h ARG 48 Ca 0.08 -0.23 -0.30 0.00 -0.81 0.00 0.00 59.98 58.72 1jvr h ARG 48 Cb 0.62 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1jvr h ARG 48 CO -0.00 0.97 -1.31 0.35 -1.51 0.00 0.00 179.97 178.47 1jvr h PHE 49 N 0.12 0.82 -0.16 2.20 3.57 -0.17 -2.72 116.94 120.61 1jvr h PHE 49 Ca -0.05 -0.57 -0.03 0.00 3.53 0.00 0.00 57.97 60.86 1jvr h PHE 49 Cb 1.52 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1jvr h PHE 49 CO 0.03 1.43 -0.03 -0.07 -2.23 0.00 0.00 178.31 177.44 1jvr h LEU 50 N 0.17 0.30 -1.96 0.59 3.38 -1.02 -2.19 115.31 114.57 1jvr h LEU 50 Ca -0.19 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 1jvr h LEU 50 Cb 2.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1jvr h LEU 50 CO 0.24 0.58 -0.01 0.50 0.09 0.00 0.00 178.44 179.84 1jvr h LYS 51 N 0.01 0.02 0.10 1.13 3.11 -1.40 -0.80 116.57 118.74 1jvr h LYS 51 Ca 0.04 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 1jvr h LYS 51 Cb 0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1jvr h LYS 51 CO 0.01 0.03 -0.05 1.25 -2.81 0.00 0.00 179.45 177.88 1jvr h LEU 52 N 0.02 -0.12 -1.96 5.20 6.46 -1.12 -2.42 115.31 121.38 1jvr h LEU 52 Ca 0.00 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1jvr h LEU 52 Cb 0.02 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1jvr h LEU 52 CO 0.00 0.12 -0.06 0.00 -0.62 0.00 0.00 178.44 177.88 1jvr h ALA 53 N 0.51 1.81 -0.15 1.25 0.00 -0.75 0.10 119.26 122.03 1jvr h ALA 53 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jvr h ALA 53 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jvr h ALA 53 CO 0.02 0.07 0.32 1.25 0.00 0.00 0.00 179.25 180.92 1jvr h LEU 54 N 0.00 0.00 0.00 0.00 5.85 -0.65 1.80 115.31 122.31 1jvr h LEU 54 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jvr h LEU 54 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1jvr h LEU 54 CO 0.01 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 179.28 1jvr n LYS 55 N -3.29 0.38 -3.73 1.25 3.00 0.02 -4.14 118.16 111.65 1jvr n LYS 55 Ca 0.01 0.05 -0.29 0.00 -0.00 0.00 0.00 58.31 58.09 1jvr n LYS 55 Cb 0.42 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.83 1jvr n LYS 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jvr s THR 56 N -2.53 1.67 -0.40 3.15 2.01 0.61 -4.99 115.64 115.16 1jvr s THR 56 Ca 0.24 -3.00 -0.05 0.00 0.31 0.00 0.00 61.69 59.18 1jvr s THR 56 Cb 0.16 -2.14 -0.16 0.00 0.01 0.00 0.00 72.50 70.37 1jvr s THR 56 CO 0.37 -0.96 2.73 -0.81 -0.69 0.00 0.00 174.62 175.26 1jvr n PRO 57 N 3.07 1.92 -0.00 4.92 -0.04 -1.26 -3.38 135.00 140.23 1jvr n PRO 57 Ca 0.14 -1.09 0.01 0.00 -0.04 0.00 0.00 63.50 62.52 1jvr n PRO 57 Cb 0.36 -2.11 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.05 0.04 0.02 0.52 0.13 -1.26 -4.40 119.36 117.46 1jvr n ILE 58 Ca 0.41 -0.08 0.08 0.00 -1.10 0.00 0.00 62.75 62.06 1jvr n ILE 58 Cb 0.52 0.17 -0.10 0.00 -0.84 0.00 0.00 39.64 39.39 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 -1.70 0.45 0.05 9.51 4.27 -1.22 -3.98 117.44 124.82 1jvr n TRP 59 Ca -0.01 0.14 -0.12 0.00 -3.89 0.00 0.00 57.50 53.61 1jvr n TRP 59 Cb 0.18 -0.77 -0.09 0.00 -1.36 0.00 0.00 31.31 29.27 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 -0.14 -0.25 5.67 4.07 -1.80 0.44 115.31 123.29 1jvr h LEU 60 Ca -0.07 -0.38 0.04 0.00 0.08 0.00 0.00 57.88 57.55 1jvr h LEU 60 Cb 1.19 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.89 1jvr h LEU 60 CO 0.01 0.35 -0.54 0.78 -1.08 0.00 0.00 178.44 177.96 1jvr h ASN 61 N -0.68 -1.74 0.37 -0.43 4.21 -1.77 0.52 115.58 116.06 1jvr h ASN 61 Ca -0.02 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1jvr h ASN 61 Cb 0.51 0.70 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1jvr h ASN 61 CO 0.03 -0.45 0.00 -0.81 -1.29 0.00 0.00 177.43 174.91 1jvr n PRO 62 N -5.41 0.38 -2.74 0.81 -0.04 -1.24 -4.95 135.00 121.81 1jvr n PRO 62 Ca -0.05 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 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 -1.25 -1.80 -3.29 0.52 0.13 0.18 -4.98 119.36 108.88 1jvr n ILE 63 Ca 0.12 0.37 0.03 0.00 -1.10 0.00 0.00 62.75 62.17 1jvr n ILE 63 Cb 0.17 -2.50 -0.02 0.00 -0.84 0.00 0.00 39.64 36.45 1jvr n ILE 63 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1jvr s ASP 64 N -0.86 -0.84 0.00 9.51 3.68 -0.87 -5.00 116.67 122.29 1jvr s ASP 64 Ca 0.03 0.77 0.08 0.00 2.13 0.00 0.00 52.55 55.56 1jvr s ASP 64 Cb -0.00 1.80 0.35 0.00 -1.45 0.00 0.00 42.92 43.62 1jvr s ASP 64 CO 0.08 -0.16 1.20 0.00 0.13 0.00 0.00 175.17 176.42 1jvr n TYR 65 N 5.31 0.00 0.32 -5.34 4.19 -1.26 -1.94 117.16 118.45 1jvr n TYR 65 Ca -0.07 0.00 0.21 0.00 3.31 0.00 0.00 57.90 61.35 1jvr n TYR 65 Cb 0.52 -0.42 1.07 0.00 0.49 0.00 0.00 39.34 40.99 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 0.56 2.98 0.02 -1.96 0.16 113.55 115.30 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 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1jvr h SER 66 CO 0.00 0.01 -1.17 -0.11 -1.14 0.00 0.00 176.83 174.41 1jvr n LEU 67 N -3.15 0.59 0.35 5.07 0.00 -0.82 -4.11 117.00 114.93 1jvr n LEU 67 Ca -0.02 0.11 -0.14 0.00 0.00 0.00 0.00 56.01 55.95 1jvr n LEU 67 Cb 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 43.42 43.41 1jvr n LEU 67 CO 0.22 -0.04 0.38 -0.07 0.00 0.00 0.00 177.39 177.88 1jvr h LEU 68 N 0.00 -0.78 -1.69 -1.96 3.38 -0.82 -1.57 115.31 111.87 1jvr h LEU 68 Ca 0.00 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jvr h LEU 68 Cb 0.86 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1jvr h LEU 68 CO 0.00 -0.42 0.49 0.00 0.09 0.00 0.00 178.44 178.60 1jvr h ALA 69 N -1.30 1.71 0.01 1.53 0.00 -1.70 0.67 119.26 120.17 1jvr h ALA 69 Ca -0.09 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1jvr h ALA 69 Cb 0.71 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1jvr h ALA 69 CO 0.16 -0.58 -0.68 1.03 0.00 0.00 0.00 179.25 179.18 1jvr h SER 70 N 0.00 0.58 -0.80 0.00 0.87 -1.60 -3.24 113.55 109.37 1jvr h SER 70 Ca 0.08 -0.77 0.09 0.00 -1.23 0.00 0.00 61.79 59.96 1jvr h SER 70 Cb 1.06 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.77 1jvr h SER 70 CO -0.00 1.28 0.45 -0.07 -0.53 0.00 0.00 176.83 177.95 1jvr h LEU 71 N -0.05 0.63 -6.91 2.23 4.07 0.13 -3.41 115.31 112.01 1jvr h LEU 71 Ca -0.09 0.05 -0.40 0.00 0.08 0.00 0.00 57.88 57.52 1jvr h LEU 71 Cb 1.39 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.97 1jvr h LEU 71 CO 0.13 0.37 1.58 -0.38 -1.08 0.00 0.00 178.44 179.06 1jvr n ILE 72 N -4.76 0.00 -2.31 1.22 5.41 -0.95 -4.73 119.36 113.24 1jvr n ILE 72 Ca 0.13 -0.10 -0.40 0.00 1.00 0.00 0.00 62.75 63.38 1jvr n ILE 72 Cb 0.27 -0.33 -0.03 0.00 -0.71 0.00 0.00 39.64 38.84 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 7.35 2.92 0.26 0.38 0.04 -1.26 -4.64 135.00 140.06 1jvr s PRO 73 Ca 1.17 0.14 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1jvr s PRO 73 Cb -1.00 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1jvr s PRO 73 CO 0.44 -2.44 0.00 1.63 0.04 0.00 0.00 177.00 176.67 1jvr n LYS 74 N 9.27 -2.88 -1.37 4.56 5.02 -1.26 -4.75 118.16 126.75 1jvr n LYS 74 Ca 0.12 2.11 -0.53 0.00 -2.02 0.00 0.00 58.31 57.99 1jvr n LYS 74 Cb 0.50 -2.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.09 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jvr n GLY 75 N -0.35 0.10 3.93 0.72 0.00 -1.26 -4.91 105.19 103.42 1jvr n GLY 75 Ca 0.00 0.78 -0.25 0.00 0.00 0.00 0.00 46.02 46.55 1jvr n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jvr s TYR 76 N 2.07 3.02 0.00 1.61 2.02 -1.26 -5.10 117.35 119.71 1jvr s TYR 76 Ca 0.82 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.93 1jvr s TYR 76 Cb -1.18 -2.94 0.00 0.00 -0.40 0.00 0.00 41.96 37.45 1jvr s TYR 76 CO 0.63 -1.09 0.00 -0.35 -1.57 0.00 0.00 175.55 173.17 1jvr n PRO 77 N -2.68 -0.08 -0.04 -1.71 -0.04 -1.26 -4.85 135.00 124.34 1jvr n PRO 77 Ca 0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1jvr n PRO 77 Cb 0.59 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 3.77 -0.34 1.52 0.55 0.00 -1.26 -3.99 105.19 105.44 1jvr n GLY 78 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1jvr n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jvr n ARG 79 N -0.78 4.15 -0.08 1.61 1.85 -1.26 -4.53 116.66 117.63 1jvr n ARG 79 Ca 0.00 -3.03 -0.08 0.00 -1.00 0.00 0.00 57.85 53.74 1jvr n ARG 79 Cb 0.02 -2.10 -0.01 0.00 -1.05 0.00 0.00 32.46 29.33 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1jvr h VAL 80 N 3.22 0.97 -0.74 8.89 2.07 -1.93 -1.25 116.25 127.49 1jvr h VAL 80 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1jvr h VAL 80 Cb 1.76 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1jvr h VAL 80 CO 0.38 0.05 0.39 0.58 0.02 0.00 0.00 177.57 179.00 1jvr h VAL 81 N 0.28 1.22 -0.63 2.57 2.07 -1.79 -1.33 116.25 118.64 1jvr h VAL 81 Ca 0.12 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1jvr h VAL 81 Cb 0.05 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1jvr h VAL 81 CO -0.09 0.25 0.42 -0.08 0.02 0.00 0.00 177.57 178.08 1jvr h GLU 82 N 1.03 0.59 0.00 1.57 4.81 -1.57 0.88 114.58 121.89 1jvr h GLU 82 Ca 0.26 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1jvr h GLU 82 Cb 0.04 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1jvr h GLU 82 CO -0.04 0.39 0.00 -0.89 -0.73 0.00 0.00 179.01 177.74 1jvr n ILE 83 N -4.48 0.86 -0.13 2.32 5.41 -0.51 -2.48 119.36 120.35 1jvr n ILE 83 Ca 0.09 0.22 -0.20 0.00 1.00 0.00 0.00 62.75 63.86 1jvr n ILE 83 Cb 0.24 -1.10 -0.11 0.00 -0.71 0.00 0.00 39.64 37.96 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 -2.05 1.43 0.15 1.39 5.41 0.20 -4.18 119.36 121.71 1jvr n ILE 84 Ca 0.03 -0.50 0.19 0.00 1.00 0.00 0.00 62.75 63.46 1jvr n ILE 84 Cb 0.22 -1.48 0.78 0.00 -0.71 0.00 0.00 39.64 38.45 1jvr n ILE 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1jvr h ASN 85 N -0.21 0.00 0.07 4.38 2.35 0.61 0.72 115.58 123.51 1jvr h ASN 85 Ca -0.58 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 54.95 1jvr h ASN 85 Cb 1.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.17 1jvr h ASN 85 CO -0.16 0.00 -0.82 0.40 -1.65 0.00 0.00 177.43 175.20 1jvr h ILE 86 N 0.00 1.33 -0.19 2.81 2.04 -1.66 -0.59 117.51 121.24 1jvr h ILE 86 Ca 0.14 -2.13 -0.15 0.00 1.00 0.00 0.00 64.86 63.72 1jvr h ILE 86 Cb 0.89 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1jvr h ILE 86 CO -0.00 0.66 -0.45 -0.07 0.00 0.00 0.00 178.15 178.29 1jvr h LEU 87 N 0.39 0.73 -0.04 1.44 3.38 0.14 -2.28 115.31 119.08 1jvr h LEU 87 Ca -0.06 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1jvr h LEU 87 Cb 1.44 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1jvr h LEU 87 CO 0.16 1.16 0.02 0.58 0.09 0.00 0.00 178.44 180.44 1jvr h VAL 88 N 0.33 1.09 0.00 1.22 2.07 -0.80 -0.21 116.25 119.95 1jvr h VAL 88 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1jvr h VAL 88 Cb 1.05 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1jvr h VAL 88 CO 0.10 0.07 0.00 1.17 0.02 0.00 0.00 177.57 178.93 1jvr n LYS 89 N -5.01 0.14 -1.37 1.57 4.81 -0.23 -0.62 118.16 117.45 1jvr n LYS 89 Ca -0.07 0.59 -0.14 0.00 -0.87 0.00 0.00 58.31 57.82 1jvr n LYS 89 Cb 0.08 -1.91 0.11 0.00 0.02 0.00 0.00 35.03 33.32 1jvr n LYS 89 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1jvr n ASN 90 N -2.20 3.88 -0.00 3.14 2.85 -0.18 -3.02 115.26 119.72 1jvr n ASN 90 Ca -0.01 -3.80 -0.01 0.00 -0.11 0.00 0.00 54.58 50.65 1jvr n ASN 90 Cb 0.07 -0.50 -0.00 0.00 1.24 0.00 0.00 39.78 40.58 1jvr n ASN 90 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1jvr h GLN 91 N 1.64 -0.06 0.00 1.20 1.08 0.11 -3.48 115.11 115.61 1jvr h GLN 91 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1jvr h GLN 91 Cb 1.37 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 1jvr h GLN 91 CO 0.57 -0.04 0.00 1.55 -0.95 0.00 0.00 178.83 179.96 1jvr n VAL 92 N -3.53 0.00 0.00 -0.54 3.14 -1.26 -5.03 118.33 111.10 1jvr n VAL 92 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1jvr n VAL 92 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 1jvr n VAL 92 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1jvr n SER 93 N 0.00 0.00 0.00 6.55 2.88 -1.26 -4.93 113.62 116.86 1jvr n SER 93 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1jvr n SER 93 Cb 0.00 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.07 1jvr n SER 93 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jvr n PRO 94 N 0.00 0.43 -0.32 -1.46 -0.04 -1.26 -3.79 135.00 128.56 1jvr n PRO 94 Ca 0.00 0.05 0.23 0.00 -0.04 0.00 0.00 63.50 63.75 1jvr n PRO 94 Cb 0.00 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.21 0.13 0.00 3.54 2.88 -1.17 -4.73 113.62 113.06 1jvr n SER 95 Ca 0.13 1.63 0.00 0.00 -1.33 0.00 0.00 58.87 59.30 1jvr n SER 95 Cb 0.16 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jvr n ALA 96 N -2.70 0.00 -2.30 -1.46 0.00 -1.25 -5.04 120.51 107.76 1jvr n ALA 96 Ca 0.30 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.38 1jvr n ALA 96 Cb 1.02 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.43 1jvr n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jvr s PRO 97 N 0.00 3.02 0.40 0.00 0.04 -1.26 -4.20 135.00 133.00 1jvr s PRO 97 Ca 0.00 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1jvr s PRO 97 Cb 0.00 -4.90 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1jvr s PRO 97 CO 0.00 -2.67 0.00 0.00 0.04 0.00 0.00 177.00 174.37 1jvr n ALA 98 N 11.28 0.80 -2.49 8.56 0.00 -1.26 -4.84 120.51 132.56 1jvr n ALA 98 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 1jvr n ALA 98 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 1jvr n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jvr s ALA 99 N -1.92 2.73 0.71 0.00 0.00 -1.26 -5.13 121.76 116.89 1jvr s ALA 99 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.28 1jvr s ALA 99 Cb 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1jvr s ALA 99 CO 0.00 0.44 1.06 -1.25 0.00 0.00 0.00 175.76 176.01 1jvr s PRO 100 N -2.78 2.85 -0.08 0.00 0.04 -1.26 -5.00 135.00 128.77 1jvr s PRO 100 Ca 0.23 0.92 -0.24 0.00 0.04 0.00 0.00 61.00 61.95 1jvr s PRO 100 Cb -0.08 -1.98 -0.20 0.00 0.04 0.00 0.00 34.50 32.28 1jvr s PRO 100 CO 0.12 -1.15 0.89 0.28 0.04 0.00 0.00 177.00 177.18 1jvr h VAL 101 N -0.76 1.31 -3.28 -0.36 2.07 -2.00 -3.46 116.25 109.77 1jvr h VAL 101 Ca -0.44 -1.59 -0.34 0.00 0.82 0.00 0.00 66.70 65.15 1jvr h VAL 101 Cb 1.22 2.29 0.15 0.00 -1.52 0.00 0.00 31.29 33.43 1jvr h VAL 101 CO 0.57 0.38 0.22 -0.81 0.02 0.00 0.00 177.57 177.95 1jvr n PRO 102 N -4.78 -1.89 -4.07 1.57 -0.04 -1.26 -5.10 135.00 119.43 1jvr n PRO 102 Ca -0.08 -1.56 -0.08 0.00 -0.04 0.00 0.00 63.50 61.74 1jvr n PRO 102 Cb 0.33 -1.23 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 1jvr n PRO 102 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jvr s THR 103 N -3.02 0.21 1.04 0.52 -4.23 -1.26 -5.17 115.64 103.74 1jvr s THR 103 Ca 0.60 -1.61 -0.16 0.00 -1.18 0.00 0.00 61.69 59.34 1jvr s THR 103 Cb -0.04 -1.24 0.22 0.00 1.34 0.00 0.00 72.50 72.78 1jvr s THR 103 CO 0.44 -0.88 1.20 -2.16 -0.54 0.00 0.00 174.62 172.67 1jvr s PRO 104 N -3.37 0.08 0.00 3.99 0.04 -1.26 -5.03 135.00 129.45 1jvr s PRO 104 Ca 0.02 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1jvr s PRO 104 Cb 0.04 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1jvr s PRO 104 CO -0.08 -2.84 0.00 1.51 0.04 0.00 0.00 177.00 175.63 1jvr n ILE 105 N -4.13 0.00 -4.27 0.56 0.00 -1.26 -5.11 119.36 105.15 1jvr n ILE 105 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 62.75 62.69 1jvr n ILE 105 Cb 0.59 -0.59 -0.11 0.00 0.00 0.00 0.00 39.64 39.53 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jvr s PRO 107 N -2.98 3.99 0.95 0.00 0.04 -1.26 -5.00 135.00 130.74 1jvr s PRO 107 Ca 0.13 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1jvr s PRO 107 Cb -0.03 -3.87 0.16 0.00 0.04 0.00 0.00 34.50 30.80 1jvr s PRO 107 CO 0.03 -1.03 1.12 0.99 0.04 0.00 0.00 177.00 178.16 1jvr s THR 108 N 4.22 2.16 0.00 1.26 2.01 -1.26 -4.78 115.64 119.25 1jvr s THR 108 Ca 0.57 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1jvr s THR 108 Cb -0.19 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1jvr s THR 108 CO 0.21 -0.07 0.00 0.35 -0.69 0.00 0.00 174.62 174.43 1jvr n THR 109 N -4.29 0.00 -3.83 -0.82 -2.24 -1.26 -4.82 114.28 97.01 1jvr n THR 109 Ca 0.10 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.60 1jvr n THR 109 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1jvr n THR 109 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jvr n THR 110 N -0.36 -3.10 -2.05 4.28 -1.04 -1.26 -4.89 114.28 105.85 1jvr n THR 110 Ca 0.00 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.60 1jvr n THR 110 Cb 0.00 -2.75 0.01 0.00 -1.82 0.00 0.00 70.33 65.77 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 -5.28 3.36 -0.33 -2.82 0.04 -1.26 -4.98 135.00 123.74 1jvr s PRO 111 Ca 0.06 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1jvr s PRO 111 Cb -0.03 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jvr s PRO 111 CO 0.90 -0.77 1.36 -1.25 0.04 0.00 0.00 177.00 177.28 1jvr s PRO 112 N -4.15 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 128.69 1jvr s PRO 112 Ca 0.63 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1jvr s PRO 112 Cb -0.15 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1jvr s PRO 112 CO 0.38 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.26 1jvr s PRO 113 N 4.44 3.80 -0.32 0.56 0.04 -1.26 -4.97 135.00 137.29 1jvr s PRO 113 Ca 0.59 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1jvr s PRO 113 Cb -0.16 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 113 CO 0.26 -1.27 1.37 -1.25 0.04 0.00 0.00 177.00 176.16 1jvr s PRO 114 N 4.44 3.80 0.92 0.56 0.04 -1.26 -5.01 135.00 138.49 1jvr s PRO 114 Ca 0.59 1.20 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 114 Cb -0.16 -3.94 0.14 0.00 0.04 0.00 0.00 34.50 30.58 1jvr s PRO 114 CO 0.26 -1.27 1.14 -1.25 0.04 0.00 0.00 177.00 175.93 1jvr s PRO 115 N 4.45 1.06 0.59 0.56 0.04 -1.26 -5.04 135.00 135.40 1jvr s PRO 115 Ca 0.59 0.25 -0.15 0.00 0.04 0.00 0.00 61.00 61.73 1jvr s PRO 115 Cb -0.17 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1jvr s PRO 115 CO 0.27 -2.25 1.05 -1.25 0.04 0.00 0.00 177.00 174.86 1jvr s PRO 116 N -5.31 3.38 0.69 0.56 0.04 -1.26 -5.06 135.00 128.04 1jvr s PRO 116 Ca 0.64 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 116 Cb -0.14 -2.04 0.17 0.00 0.04 0.00 0.00 34.50 32.52 1jvr s PRO 116 CO 0.53 -0.76 0.76 -0.35 0.04 0.00 0.00 177.00 177.22 1jvr n PRO 117 N -2.06 -1.57 0.00 0.56 -0.04 -1.26 -4.92 135.00 125.71 1jvr n PRO 117 Ca 0.08 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1jvr n PRO 117 Cb 0.53 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 1jvr n PRO 117 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jvr n SER 118 N -3.85 0.00 0.00 3.54 7.64 -1.26 -4.97 113.62 114.73 1jvr n SER 118 Ca 0.10 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.80 1jvr n SER 118 Cb 0.36 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.47 1jvr n SER 118 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jvr h PRO 119 N 0.00 0.55 0.00 1.43 0.13 -1.99 -3.45 132.00 128.67 1jvr h PRO 119 Ca 0.00 -0.55 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 1jvr h PRO 119 Cb 0.00 0.14 0.02 0.00 0.13 0.00 0.00 31.00 31.29 1jvr h PRO 119 CO 0.00 1.17 -0.02 -0.85 -0.23 0.00 0.00 178.00 178.07 1jvr n GLU 120 N -4.10 -1.00 0.00 0.86 0.28 -1.26 -1.41 120.64 114.02 1jvr n GLU 120 Ca -0.10 -0.15 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 1jvr n GLU 120 Cb 0.72 -0.24 0.00 0.00 1.43 0.00 0.00 31.44 33.35 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jvr n ALA 121 N -2.46 0.00 -0.22 -1.84 0.00 -1.26 -3.75 120.51 110.98 1jvr n ALA 121 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jvr n ALA 121 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1jvr n ALA 121 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1jvr n HIS 122 N 0.00 0.00 -1.46 0.00 -0.00 -1.24 -4.69 115.22 107.83 1jvr n HIS 122 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 1jvr n HIS 122 Cb 0.00 -0.39 -0.15 0.00 -0.00 0.00 0.00 29.99 29.45 1jvr n HIS 122 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1jvr n VAL 123 N -1.66 0.00 -1.53 3.57 0.31 -0.50 -4.85 118.33 113.66 1jvr n VAL 123 Ca 0.00 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.03 1jvr n VAL 123 Cb 0.00 -0.48 0.15 0.00 -0.91 0.00 0.00 33.84 32.60 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1jvr s PRO 124 N 8.74 0.84 0.67 5.55 0.04 -1.26 -4.75 135.00 144.82 1jvr s PRO 124 Ca 1.32 0.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 1jvr s PRO 124 Cb -1.22 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.50 1jvr s PRO 124 CO 0.48 -2.38 1.06 -1.25 0.04 0.00 0.00 177.00 174.95 1jvr s PRO 125 N -5.36 3.06 -0.97 0.56 0.04 -1.26 -4.94 135.00 126.13 1jvr s PRO 125 Ca 0.66 1.01 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 1jvr s PRO 125 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1jvr s PRO 125 CO 0.54 -1.00 1.70 -1.25 0.04 0.00 0.00 177.00 177.02 1jvr s PRO 126 N -4.79 3.09 0.00 0.56 0.04 -1.26 -4.84 135.00 127.81 1jvr s PRO 126 Ca 0.59 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1jvr s PRO 126 Cb -0.14 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1jvr s PRO 126 CO 0.50 -2.79 0.00 2.48 0.04 0.00 0.00 177.00 177.23 1jvr n TYR 127 N 11.36 0.00 0.00 0.56 4.11 -1.26 -4.63 117.16 127.30 1jvr n TYR 127 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.27 1jvr n TYR 127 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.83 1jvr n TYR 127 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1jvr n VAL 128 N 0.00 0.00 -0.37 -3.48 0.31 -1.26 -4.34 118.33 109.19 1jvr n VAL 128 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1jvr n VAL 128 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1jvr n VAL 128 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jvr n GLU 129 N 0.00 -0.28 -2.30 5.55 1.02 -1.26 -3.50 120.64 119.87 1jvr n GLU 129 Ca 0.00 1.43 -0.39 0.00 -0.02 0.00 0.00 57.16 58.18 1jvr n GLU 129 Cb 0.00 -2.11 -0.03 0.00 -0.02 0.00 0.00 31.44 29.27 1jvr n GLU 129 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1jvr s PRO 130 N -5.75 2.94 0.35 3.49 0.04 -1.26 -4.89 135.00 129.92 1jvr s PRO 130 Ca -0.12 0.03 -0.17 0.00 0.04 0.00 0.00 61.00 60.78 1jvr s PRO 130 Cb 0.16 -4.44 0.06 0.00 0.04 0.00 0.00 34.50 30.32 1jvr s PRO 130 CO 0.64 -2.50 0.84 0.95 0.04 0.00 0.00 177.00 176.97 1jvr s THR 131 N 7.41 0.00 0.00 1.26 -4.23 -1.23 -5.05 115.64 113.80 1jvr s THR 131 Ca 0.52 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1jvr s THR 131 Cb -0.09 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1jvr s THR 131 CO 0.14 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.57 1jvr n THR 132 N -0.56 0.00 0.00 3.99 -2.24 -1.26 -4.52 114.28 109.68 1jvr n THR 132 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jvr n THR 132 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1jvr n THR 132 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jvr n THR 133 N 0.00 0.00 0.00 4.28 -1.04 -1.26 -4.80 114.28 111.46 1jvr n THR 133 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1jvr n THR 133 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1jvr n THR 133 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jvr n GLN 134 N 0.00 0.00 -2.24 -2.82 10.64 -1.26 -4.20 117.38 117.50 1jvr n GLN 134 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 1jvr n GLN 134 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23