#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 -1.40 3.85 -1.26 -4.91 117.12 113.40 1jvr n MET 1 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.70 1jvr n MET 1 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.17 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 3.74 1.38 3.17 0.00 -1.26 -5.10 105.19 107.12 1jvr n GLY 2 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1jvr n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jvr n GLN 3 N 0.00 0.00 -4.23 1.61 10.64 -1.26 -5.10 117.38 119.04 1jvr n GLN 3 Ca 0.00 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.98 1jvr n GLN 3 Cb 0.00 -0.13 -0.16 0.00 -0.86 0.00 0.00 30.24 29.09 1jvr n GLN 3 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1jvr s ILE 4 N -1.69 0.58 0.36 -0.39 1.01 -1.26 -5.08 121.20 114.73 1jvr s ILE 4 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1jvr s ILE 4 Cb 0.00 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.90 1jvr s ILE 4 CO 0.00 0.22 0.00 1.57 0.00 0.00 0.00 174.94 176.73 1jvr n HIS 5 N 3.71 -2.30 -1.23 3.97 -0.00 -1.26 -5.01 115.22 113.10 1jvr n HIS 5 Ca -0.22 1.26 0.00 0.00 -0.00 0.00 0.00 57.72 58.76 1jvr n HIS 5 Cb 0.53 -2.09 0.00 0.00 -0.00 0.00 0.00 29.99 28.42 1jvr n HIS 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jvr n GLY 6 N -3.43 0.82 1.80 1.57 0.00 -1.26 -4.90 105.19 99.78 1jvr n GLY 6 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1jvr n GLY 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jvr n LEU 7 N -1.19 0.00 -0.26 0.99 4.77 -1.26 -4.90 117.00 115.15 1jvr n LEU 7 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1jvr n LEU 7 Cb 0.41 0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1jvr n LEU 7 CO 0.00 -0.45 0.65 0.28 -1.33 0.00 0.00 177.39 176.54 1jvr h SER 8 N 0.00 -1.08 0.00 -1.43 0.02 -2.04 -2.05 113.55 106.97 1jvr h SER 8 Ca 0.00 0.25 -0.54 0.00 -0.84 0.00 0.00 61.79 60.65 1jvr h SER 8 Cb 0.00 0.58 0.02 0.00 0.14 0.00 0.00 62.40 63.14 1jvr h SER 8 CO 0.00 -0.29 3.06 -0.81 -1.14 0.00 0.00 176.83 177.65 1jvr n PRO 9 N -5.47 2.65 -0.07 3.45 -0.04 -1.26 -4.44 135.00 129.81 1jvr n PRO 9 Ca 0.08 -1.87 -0.13 0.00 -0.04 0.00 0.00 63.50 61.54 1jvr n PRO 9 Cb 0.38 -2.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.02 1jvr n PRO 9 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1jvr h THR 10 N 3.47 1.35 -0.05 0.52 2.02 -1.76 -3.35 112.91 115.12 1jvr h THR 10 Ca 0.62 -2.08 -0.20 0.00 0.77 0.00 0.00 66.41 65.52 1jvr h THR 10 Cb 0.31 2.62 0.01 0.00 -1.74 0.00 0.00 68.15 69.36 1jvr h THR 10 CO 1.67 0.46 -0.76 1.55 0.37 0.00 0.00 175.52 178.81 1jvr h PRO 11 N -1.00 0.60 -0.81 6.66 0.13 -1.88 -3.31 132.00 132.39 1jvr h PRO 11 Ca -0.05 -0.58 0.09 0.00 -0.87 0.00 0.00 66.00 64.59 1jvr h PRO 11 Cb 0.88 0.15 -0.11 0.00 0.13 0.00 0.00 31.00 32.05 1jvr h PRO 11 CO -0.03 1.20 -0.43 -0.89 -0.23 0.00 0.00 178.00 177.62 1jvr n ILE 12 N -4.05 -0.52 -0.98 -3.56 2.08 -1.26 -0.54 119.36 110.53 1jvr n ILE 12 Ca -0.10 1.95 -0.29 0.00 0.56 0.00 0.00 62.75 64.87 1jvr n ILE 12 Cb 0.74 -2.46 -0.02 0.00 -0.75 0.00 0.00 39.64 37.14 1jvr n ILE 12 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1jvr n PRO 13 N -5.08 2.77 -3.60 0.38 -0.04 -1.25 -4.67 135.00 123.52 1jvr n PRO 13 Ca 0.04 -1.78 -0.02 0.00 -0.04 0.00 0.00 63.50 61.70 1jvr n PRO 13 Cb 0.25 -2.60 -0.05 0.00 -0.04 0.00 0.00 33.50 31.05 1jvr n PRO 13 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1jvr s LYS 14 N 2.90 0.54 -0.09 0.54 2.47 0.30 -5.03 119.74 121.36 1jvr s LYS 14 Ca 0.52 1.16 -0.20 0.00 -1.56 0.00 0.00 55.97 55.89 1jvr s LYS 14 Cb 0.13 0.49 -0.16 0.00 -1.46 0.00 0.00 37.83 36.83 1jvr s LYS 14 CO -0.04 -0.15 0.69 0.00 0.16 0.00 0.00 175.35 176.00 1jvr h ALA 15 N 7.38 -0.09 -3.00 3.13 0.00 -1.84 -3.43 119.26 121.42 1jvr h ALA 15 Ca -0.22 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jvr h ALA 15 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jvr h ALA 15 CO 0.13 -0.14 0.00 -0.35 0.00 0.00 0.00 179.25 178.89 1jvr n PRO 16 N -4.79 0.00 -3.02 0.00 -0.04 -1.26 -5.01 135.00 120.89 1jvr n PRO 16 Ca -0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 1jvr n PRO 16 Cb 0.29 -0.16 0.02 0.00 -0.04 0.00 0.00 33.50 33.60 1jvr n PRO 16 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1jvr n ARG 17 N -0.04 -2.31 0.00 0.54 3.00 -1.26 -4.63 116.66 111.96 1jvr n ARG 17 Ca 0.00 1.97 0.00 0.00 -0.00 0.00 0.00 57.85 59.82 1jvr n ARG 17 Cb 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 32.46 27.95 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 -0.07 1.90 3.20 5.14 0.00 -1.26 -5.00 105.19 109.10 1jvr n GLY 18 Ca 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1jvr n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jvr s LEU 19 N 0.00 -1.50 0.42 0.99 1.02 -1.26 -4.87 118.68 113.48 1jvr s LEU 19 Ca 0.00 -0.75 -0.20 0.00 0.02 0.00 0.00 54.13 53.20 1jvr s LEU 19 Cb 0.00 1.92 -0.15 0.00 0.02 0.00 0.00 46.19 47.98 1jvr s LEU 19 CO 0.00 -0.17 0.03 -1.54 0.02 0.00 0.00 176.35 174.70 1jvr n SER 20 N 4.40 -2.98 0.09 2.29 3.41 -1.26 -4.74 113.62 114.83 1jvr n SER 20 Ca 0.11 0.75 -0.04 0.00 -0.26 0.00 0.00 58.87 59.43 1jvr n SER 20 Cb 0.57 -0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1jvr n SER 20 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1jvr h THR 21 N 0.23 0.00 -1.41 6.66 2.02 -1.98 -2.23 112.91 116.20 1jvr h THR 21 Ca -0.37 -0.12 0.46 0.00 0.77 0.00 0.00 66.41 67.16 1jvr h THR 21 Cb 1.40 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.69 1jvr h THR 21 CO 0.44 0.00 0.92 0.45 0.37 0.00 0.00 175.52 177.71 1jvr h HIS 22 N -0.37 0.46 0.02 3.16 3.86 -1.96 1.89 115.15 122.20 1jvr h HIS 22 Ca -0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1jvr h HIS 22 Cb 0.19 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1jvr h HIS 22 CO 0.10 -0.21 -0.01 0.45 0.86 0.00 0.00 177.93 179.12 1jvr h HIS 23 N 0.04 -0.02 -0.22 2.45 -0.00 -1.89 0.11 115.15 115.62 1jvr h HIS 23 Ca 0.85 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 61.12 1jvr h HIS 23 Cb 2.80 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 30.21 1jvr h HIS 23 CO -0.01 0.19 -0.26 2.35 -0.00 0.00 0.00 177.93 180.21 1jvr h TRP 24 N -0.23 0.69 -0.49 2.45 -0.00 0.27 -2.54 115.95 116.09 1jvr h TRP 24 Ca -0.00 -0.22 0.14 0.00 -0.00 0.00 0.00 58.89 58.81 1jvr h TRP 24 Cb 0.22 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.22 1jvr h TRP 24 CO -0.00 0.92 0.43 1.25 -0.00 0.00 0.00 178.44 181.04 1jvr h LEU 25 N 0.26 0.00 -1.17 0.65 5.85 0.23 1.70 115.31 122.83 1jvr h LEU 25 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1jvr h LEU 25 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1jvr h LEU 25 CO 0.06 0.00 0.00 -1.13 -0.34 0.00 0.00 178.44 177.03 1jvr h ASN 26 N 0.00 0.00 0.00 1.25 -0.73 -0.52 -0.11 115.58 115.47 1jvr h ASN 26 Ca 0.23 0.00 -0.37 0.00 1.87 0.00 0.00 56.30 58.04 1jvr h ASN 26 Cb 1.09 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.61 1jvr h ASN 26 CO -0.00 0.00 -2.39 0.33 -0.37 0.00 0.00 177.43 175.00 1jvr n PHE 27 N -2.88 0.00 0.23 0.67 -0.00 0.55 -3.90 117.46 112.12 1jvr n PHE 27 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.58 1jvr n PHE 27 Cb 0.30 -0.97 0.41 0.00 -0.00 0.00 0.00 39.48 39.22 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 0.00 0.00 0.23 -2.13 5.85 -0.43 -2.46 115.31 116.37 1jvr h LEU 28 Ca -0.55 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1jvr h LEU 28 Cb 2.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1jvr h LEU 28 CO -0.02 0.14 -0.11 1.56 -0.34 0.00 0.00 178.44 179.66 1jvr h GLN 29 N 0.00 -0.30 -0.80 1.25 4.20 -1.19 -2.00 115.11 116.26 1jvr h GLN 29 Ca -0.00 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.86 1jvr h GLN 29 Cb 0.81 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.60 1jvr h GLN 29 CO 0.02 -0.08 0.53 0.00 -0.67 0.00 0.00 178.83 178.62 1jvr h ALA 30 N -0.87 1.94 0.00 3.87 0.00 -1.67 0.97 119.26 123.49 1jvr h ALA 30 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jvr h ALA 30 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jvr h ALA 30 CO 0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 179.25 179.03 1jvr h ALA 31 N 1.62 1.02 0.00 0.00 0.00 -1.49 -2.46 119.26 117.95 1jvr h ALA 31 Ca 0.39 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1jvr h ALA 31 Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1jvr h ALA 31 CO -0.15 0.17 -0.80 -0.92 0.00 0.00 0.00 179.25 177.54 1jvr h TYR 32 N 0.00 0.00 -0.00 0.00 5.03 0.16 -3.24 116.97 118.93 1jvr h TYR 32 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1jvr h TYR 32 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.95 1jvr h TYR 32 CO 0.00 0.27 -0.08 -2.13 -1.32 0.00 0.00 178.16 174.89 1jvr n ARG 33 N -2.94 0.22 0.00 1.82 3.00 0.25 -4.48 116.66 114.53 1jvr n ARG 33 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1jvr n ARG 33 Cb 0.66 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.63 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 -1.36 0.00 -3.77 6.15 4.77 -1.13 -5.01 117.00 116.65 1jvr n LEU 34 Ca 0.10 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 1jvr n LEU 34 Cb 0.30 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1jvr n LEU 34 CO 0.26 0.00 -0.24 -1.58 -1.33 0.00 0.00 177.39 174.50 1jvr s GLN 35 N 1.35 1.39 0.28 3.23 0.74 -1.25 -5.11 119.66 120.30 1jvr s GLN 35 Ca 0.00 -2.06 -0.29 0.00 0.05 0.00 0.00 55.36 53.06 1jvr s GLN 35 Cb 0.00 -2.54 -0.09 0.00 1.10 0.00 0.00 33.01 31.47 1jvr s GLN 35 CO 0.00 -1.13 1.08 -1.25 -0.55 0.00 0.00 175.29 173.44 1jvr s PRO 36 N 0.34 4.66 0.00 1.67 0.04 -1.26 -4.86 135.00 135.58 1jvr s PRO 36 Ca 0.17 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1jvr s PRO 36 Cb -0.24 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1jvr s PRO 36 CO -0.02 0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.67 1jvr n GLY 37 N 1.21 4.97 0.00 0.56 0.00 -1.26 -5.15 105.19 105.52 1jvr n GLY 37 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.90 0.17 0.00 1.61 -0.04 -1.26 -4.41 135.00 129.17 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 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1jvr n PRO 38 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jvr n SER 39 N -1.66 0.00 0.00 3.54 7.64 -1.26 -4.66 113.62 117.22 1jvr n SER 39 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jvr n SER 39 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1jvr n SER 39 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jvr n ASP 40 N 4.09 0.00 0.00 6.43 5.75 -1.26 -4.94 116.55 126.62 1jvr n ASP 40 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1jvr n ASP 40 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jvr n ASP 40 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1jvr n PHE 41 N -0.07 0.00 0.08 2.11 1.16 -1.26 -4.96 117.46 114.52 1jvr n PHE 41 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 1jvr n PHE 41 Cb 0.00 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.81 1jvr n PHE 41 CO 0.00 0.00 0.00 0.22 -1.87 0.00 0.00 176.76 175.11 1jvr h ASP 42 N 0.00 -0.24 0.47 5.98 1.82 -1.89 -2.67 116.42 119.88 1jvr h ASP 42 Ca 0.00 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1jvr h ASP 42 Cb 0.00 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1jvr h ASP 42 CO 0.00 0.28 -0.53 0.49 -1.61 0.00 0.00 179.24 177.87 1jvr n PHE 43 N -4.96 0.00 -0.01 0.28 3.72 -1.26 -3.51 117.46 111.72 1jvr n PHE 43 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 1jvr n PHE 43 Cb 0.23 -0.23 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.01 -0.04 0.00 -1.08 5.75 -1.95 -1.44 115.11 116.36 1jvr h GLN 44 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1jvr h GLN 44 Cb 0.50 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1jvr h GLN 44 CO 0.00 -0.02 0.00 1.04 -2.65 0.00 0.00 178.83 177.20 1jvr n GLN 45 N -3.56 0.08 0.02 1.69 6.02 -1.01 -1.29 117.38 119.33 1jvr n GLN 45 Ca -0.00 0.51 -0.22 0.00 -0.01 0.00 0.00 57.00 57.28 1jvr n GLN 45 Cb 0.01 -1.73 -0.14 0.00 1.02 0.00 0.00 30.24 29.40 1jvr n GLN 45 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jvr h LEU 46 N 0.00 0.46 -2.38 1.08 6.46 -1.64 -3.32 115.31 115.97 1jvr h LEU 46 Ca 0.00 -0.92 -0.01 0.00 -0.12 0.00 0.00 57.88 56.83 1jvr h LEU 46 Cb 0.08 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1jvr h LEU 46 CO 0.00 1.81 -0.03 -0.09 -0.62 0.00 0.00 178.44 179.51 1jvr h ARG 47 N 0.00 0.00 -0.11 1.25 2.43 -0.05 -1.00 114.38 116.91 1jvr h ARG 47 Ca -0.39 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.63 1jvr h ARG 47 Cb 2.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.54 1jvr h ARG 47 CO 0.10 0.03 -0.59 -0.09 -1.51 0.00 0.00 179.97 177.91 1jvr h ARG 48 N 0.00 0.35 -0.07 0.20 9.65 -1.56 -1.14 114.38 121.81 1jvr h ARG 48 Ca -0.00 -0.23 -0.18 0.00 -1.10 0.00 0.00 59.98 58.46 1jvr h ARG 48 Cb 0.18 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1jvr h ARG 48 CO 0.00 0.84 -0.74 0.35 2.80 0.00 0.00 179.97 183.23 1jvr h PHE 49 N 0.26 0.52 0.35 2.20 3.57 -1.31 -2.05 116.94 120.48 1jvr h PHE 49 Ca -0.00 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.25 1jvr h PHE 49 Cb 1.10 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1jvr h PHE 49 CO 0.03 0.99 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.86 1jvr h LEU 50 N 0.26 -0.40 -2.06 0.59 3.38 -1.38 -1.99 115.31 113.71 1jvr h LEU 50 Ca -0.03 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1jvr h LEU 50 Cb 1.31 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1jvr h LEU 50 CO 0.12 0.06 0.35 0.50 0.09 0.00 0.00 178.44 179.57 1jvr h LYS 51 N -1.01 0.00 0.37 1.13 3.11 -1.29 -0.45 116.57 118.42 1jvr h LYS 51 Ca -0.05 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.77 1jvr h LYS 51 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1jvr h LYS 51 CO 0.08 0.00 -0.18 1.25 -2.81 0.00 0.00 179.45 177.79 1jvr h LEU 52 N 0.00 -0.42 -1.96 5.20 6.46 -1.23 -2.96 115.31 120.40 1jvr h LEU 52 Ca 0.17 -0.14 0.15 0.00 -0.12 0.00 0.00 57.88 57.94 1jvr h LEU 52 Cb 0.87 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1jvr h LEU 52 CO -0.00 0.01 0.40 0.00 -0.62 0.00 0.00 178.44 178.22 1jvr h ALA 53 N -0.59 2.47 0.00 1.25 0.00 -0.37 1.00 119.26 123.03 1jvr h ALA 53 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jvr h ALA 53 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jvr h ALA 53 CO 0.08 -0.63 0.00 -0.11 0.00 0.00 0.00 179.25 178.59 1jvr n LEU 54 N -4.38 0.46 0.00 0.00 7.94 -0.34 -0.29 117.00 120.40 1jvr n LEU 54 Ca 0.10 0.69 0.11 0.00 -1.11 0.00 0.00 56.01 55.80 1jvr n LEU 54 Cb 0.61 -0.71 0.63 0.00 0.53 0.00 0.00 43.42 44.47 1jvr n LEU 54 CO 0.37 -0.76 0.87 1.17 -1.11 0.00 0.00 177.39 177.92 1jvr n LYS 55 N -2.09 0.51 -3.33 1.96 4.81 0.35 -4.26 118.16 116.10 1jvr n LYS 55 Ca -0.00 0.04 -0.12 0.00 -0.87 0.00 0.00 58.31 57.36 1jvr n LYS 55 Cb 0.08 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.56 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1jvr s THR 56 N -2.31 -0.52 -1.13 3.15 -1.32 0.60 -5.05 115.64 109.06 1jvr s THR 56 Ca 0.28 -0.56 -0.16 0.00 -1.21 0.00 0.00 61.69 60.04 1jvr s THR 56 Cb 0.16 -0.77 -0.06 0.00 -1.51 0.00 0.00 72.50 70.31 1jvr s THR 56 CO 0.31 -0.40 2.16 -0.81 -2.21 0.00 0.00 174.62 173.67 1jvr n PRO 57 N 4.84 2.29 -0.00 7.08 -0.04 -1.26 -3.95 135.00 143.96 1jvr n PRO 57 Ca 0.05 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1jvr n PRO 57 Cb 0.48 -2.99 -0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 5.21 0.01 0.02 0.52 0.13 -1.26 -4.48 119.36 119.51 1jvr n ILE 58 Ca 0.53 -0.01 0.06 0.00 -1.10 0.00 0.00 62.75 62.22 1jvr n ILE 58 Cb 0.35 0.20 -0.10 0.00 -0.84 0.00 0.00 39.64 39.25 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 -1.61 0.50 0.17 9.51 4.27 -1.25 -3.98 117.44 125.05 1jvr n TRP 59 Ca -0.00 0.16 -0.13 0.00 -3.89 0.00 0.00 57.50 53.64 1jvr n TRP 59 Cb 0.11 -0.83 -0.07 0.00 -1.36 0.00 0.00 31.31 29.15 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 -0.40 -0.42 5.67 4.07 -1.84 1.46 115.31 123.85 1jvr h LEU 60 Ca -0.11 -0.16 0.05 0.00 0.08 0.00 0.00 57.88 57.74 1jvr h LEU 60 Cb 1.31 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 43.07 1jvr h LEU 60 CO 0.02 -0.00 -0.55 0.78 -1.08 0.00 0.00 178.44 177.60 1jvr h ASN 61 N -0.87 -1.85 0.90 -0.43 4.21 -1.78 0.47 115.58 116.23 1jvr h ASN 61 Ca -0.05 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1jvr h ASN 61 Cb 0.53 0.76 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1jvr h ASN 61 CO 0.08 -0.39 0.00 -0.81 -1.29 0.00 0.00 177.43 175.02 1jvr n PRO 62 N -5.32 0.10 -2.94 0.81 -0.04 -1.23 -4.96 135.00 121.41 1jvr n PRO 62 Ca -0.03 0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1jvr n PRO 62 Cb 0.33 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.83 -1.87 -3.52 0.52 0.13 0.50 -4.99 119.36 108.30 1jvr n ILE 63 Ca 0.05 0.44 -0.01 0.00 -1.10 0.00 0.00 62.75 62.12 1jvr n ILE 63 Cb 0.29 -2.72 -0.04 0.00 -0.84 0.00 0.00 39.64 36.32 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 -0.92 -1.03 0.00 9.51 -1.08 -1.01 -5.00 116.67 117.15 1jvr s ASP 64 Ca 0.01 1.29 0.09 0.00 -0.52 0.00 0.00 52.55 53.42 1jvr s ASP 64 Cb -0.00 2.10 0.42 0.00 -1.46 0.00 0.00 42.92 43.98 1jvr s ASP 64 CO 0.03 -0.23 1.22 0.00 0.52 0.00 0.00 175.17 176.71 1jvr n TYR 65 N 5.43 0.00 0.19 -5.34 9.36 -1.26 -1.65 117.16 123.89 1jvr n TYR 65 Ca -0.09 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.19 1jvr n TYR 65 Cb 0.50 -0.39 0.37 0.00 -0.63 0.00 0.00 39.34 39.19 1jvr n TYR 65 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1jvr h SER 66 N 0.00 0.00 1.46 2.98 0.87 -1.98 -2.15 113.55 114.74 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jvr h SER 66 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1jvr h SER 66 CO 0.00 0.36 -0.33 0.25 -0.53 0.00 0.00 176.83 176.59 1jvr h LEU 67 N 0.00 0.00 0.43 2.23 6.46 -1.72 -3.25 115.31 119.46 1jvr h LEU 67 Ca -0.00 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1jvr h LEU 67 Cb 0.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1jvr h LEU 67 CO 0.05 0.02 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.61 1jvr h LEU 68 N 0.00 -0.49 -1.98 2.25 3.38 -1.48 -2.89 115.31 114.10 1jvr h LEU 68 Ca 0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1jvr h LEU 68 Cb 0.90 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1jvr h LEU 68 CO 0.00 -0.16 0.35 0.00 0.09 0.00 0.00 178.44 178.72 1jvr h ALA 69 N -1.36 1.44 -0.39 1.53 0.00 -1.66 0.59 119.26 119.41 1jvr h ALA 69 Ca -0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1jvr h ALA 69 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jvr h ALA 69 CO 0.10 -0.38 -0.29 1.03 0.00 0.00 0.00 179.25 179.71 1jvr h SER 70 N 0.00 0.88 -0.59 0.00 0.87 -1.55 -2.95 113.55 110.21 1jvr h SER 70 Ca 0.02 -0.35 0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1jvr h SER 70 Cb 0.73 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1jvr h SER 70 CO -0.00 1.10 0.38 -0.07 -0.53 0.00 0.00 176.83 177.71 1jvr h LEU 71 N 0.72 0.64 -8.69 2.23 4.07 0.38 -3.41 115.31 111.24 1jvr h LEU 71 Ca 0.08 -0.01 -0.68 0.00 0.08 0.00 0.00 57.88 57.35 1jvr h LEU 71 Cb 0.84 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1jvr h LEU 71 CO 0.07 0.45 1.29 -0.38 -1.08 0.00 0.00 178.44 178.80 1jvr n ILE 72 N -4.71 0.24 -0.67 1.22 5.41 -1.12 -4.75 119.36 114.98 1jvr n ILE 72 Ca 0.05 -0.20 -0.07 0.00 1.00 0.00 0.00 62.75 63.53 1jvr n ILE 72 Cb 0.05 -1.54 -0.10 0.00 -0.71 0.00 0.00 39.64 37.34 1jvr n ILE 72 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1jvr n PRO 73 N 7.53 1.34 -1.91 0.38 -0.04 -1.26 -4.78 135.00 136.26 1jvr n PRO 73 Ca 0.38 -0.59 -0.02 0.00 -0.04 0.00 0.00 63.50 63.22 1jvr n PRO 73 Cb 0.20 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 2.41 -0.22 0.00 0.54 0.00 -1.26 -4.21 118.16 115.42 1jvr n LYS 74 Ca 0.25 0.42 0.00 0.00 0.00 0.00 0.00 58.31 58.99 1jvr n LYS 74 Cb 0.62 -0.55 0.00 0.00 0.00 0.00 0.00 35.03 35.11 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 0.79 0.19 2.71 3.14 0.00 -1.26 -5.12 105.19 105.64 1jvr n GLY 75 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.29 -0.61 1.61 9.36 -1.26 -4.95 117.16 118.02 1jvr n TYR 76 Ca 0.00 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1jvr n TYR 76 Cb 0.00 -1.37 0.00 0.00 -0.63 0.00 0.00 39.34 37.34 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 1.63 -0.23 -0.23 2.98 -0.04 -1.26 -4.78 135.00 133.07 1jvr n PRO 77 Ca 0.03 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1jvr n PRO 77 Cb 0.44 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 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 3.75 -0.65 1.81 0.55 0.00 -1.26 -3.87 105.19 105.52 1jvr n GLY 78 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.50 4.65 -0.22 1.61 1.74 -1.26 -4.41 116.66 117.27 1jvr n ARG 79 Ca 0.00 -2.94 -0.05 0.00 -0.77 0.00 0.00 57.85 54.09 1jvr n ARG 79 Cb 0.11 -2.22 0.05 0.00 -1.02 0.00 0.00 32.46 29.37 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 3.72 1.14 -0.24 1.55 2.07 -1.87 -0.24 116.25 122.38 1jvr h VAL 80 Ca 0.00 -0.28 -0.19 0.00 0.82 0.00 0.00 66.70 67.05 1jvr h VAL 80 Cb 1.89 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1jvr h VAL 80 CO 0.46 0.15 -0.61 0.58 0.02 0.00 0.00 177.57 178.17 1jvr h VAL 81 N 0.82 1.28 -0.28 2.57 2.07 -1.78 0.44 116.25 121.36 1jvr h VAL 81 Ca 0.23 -1.80 0.08 0.00 0.82 0.00 0.00 66.70 66.04 1jvr h VAL 81 Cb -0.07 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1jvr h VAL 81 CO -0.06 0.58 0.22 -0.08 0.02 0.00 0.00 177.57 178.25 1jvr h GLU 82 N 0.60 0.00 0.00 1.57 4.22 -1.69 1.60 114.58 120.89 1jvr h GLU 82 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1jvr h GLU 82 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1jvr h GLU 82 CO 0.13 0.00 -0.34 0.82 -2.18 0.00 0.00 179.01 177.44 1jvr h ILE 83 N 0.00 0.00 -0.17 2.32 2.04 -0.83 -3.33 117.51 117.53 1jvr h ILE 83 Ca 0.13 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1jvr h ILE 83 Cb 0.57 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1jvr h ILE 83 CO -0.00 0.00 0.27 0.40 0.00 0.00 0.00 178.15 178.81 1jvr h ILE 84 N -0.95 0.29 0.00 -0.67 2.04 -0.72 0.77 117.51 118.27 1jvr h ILE 84 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1jvr h ILE 84 Cb 0.34 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1jvr h ILE 84 CO 0.00 0.00 -0.23 -1.13 0.00 0.00 0.00 178.15 176.79 1jvr h ASN 85 N 0.00 0.00 1.16 1.72 -0.73 0.22 -0.59 115.58 117.36 1jvr h ASN 85 Ca 0.08 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 1jvr h ASN 85 Cb 0.61 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.20 1jvr h ASN 85 CO -0.00 0.23 -0.17 0.40 -0.37 0.00 0.00 177.43 177.52 1jvr h ILE 86 N 0.00 0.39 0.06 2.57 2.04 0.47 -0.06 117.51 122.98 1jvr h ILE 86 Ca -0.00 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.68 1jvr h ILE 86 Cb 0.49 1.82 0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1jvr h ILE 86 CO 0.03 0.17 -0.38 -0.07 0.00 0.00 0.00 178.15 177.90 1jvr h LEU 87 N 0.00 0.19 -0.04 1.44 3.38 -1.12 -3.02 115.31 116.14 1jvr h LEU 87 Ca -0.00 -0.97 -0.00 0.00 0.09 0.00 0.00 57.88 57.00 1jvr h LEU 87 Cb 0.80 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1jvr h LEU 87 CO 0.02 1.18 0.01 0.58 0.09 0.00 0.00 178.44 180.33 1jvr h VAL 88 N -0.74 1.14 0.00 1.22 2.07 -1.30 -1.03 116.25 117.61 1jvr h VAL 88 Ca -0.07 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1jvr h VAL 88 Cb 1.27 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1jvr h VAL 88 CO 0.05 0.11 0.14 0.50 0.02 0.00 0.00 177.57 178.40 1jvr h LYS 89 N -0.10 0.00 0.15 1.57 3.11 -1.14 -2.13 116.57 118.03 1jvr h LYS 89 Ca 0.01 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1jvr h LYS 89 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1jvr h LYS 89 CO -0.00 0.00 -0.07 -0.97 -2.81 0.00 0.00 179.45 175.60 1jvr h ASN 90 N 0.00 -0.17 0.00 4.20 -1.24 -1.06 -3.48 115.58 113.82 1jvr h ASN 90 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1jvr h ASN 90 Cb 0.28 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.37 1jvr h ASN 90 CO 0.00 0.14 0.00 0.00 -1.29 0.00 0.00 177.43 176.28 1jvr n GLN 91 N -4.02 0.00 -0.88 6.67 3.00 -0.81 -4.97 117.38 116.37 1jvr n GLN 91 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1jvr n GLN 91 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.32 1jvr n GLN 91 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1jvr n VAL 92 N -0.80 0.00 0.00 5.09 3.14 -1.21 -4.52 118.33 120.03 1jvr n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1jvr n VAL 92 Cb 0.00 -0.35 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 1jvr n VAL 92 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1jvr n SER 93 N 1.38 0.00 0.00 6.55 7.64 -1.26 -4.93 113.62 123.01 1jvr n SER 93 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1jvr n SER 93 Cb 0.10 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 63.81 1jvr n SER 93 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jvr n PRO 94 N 0.00 0.75 -0.18 1.43 -0.04 -1.26 -3.90 135.00 131.80 1jvr n PRO 94 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1jvr n PRO 94 Cb 0.00 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 1jvr n PRO 94 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jvr h SER 95 N 0.00 -1.49 -0.23 3.54 0.02 -1.91 -3.41 113.55 110.07 1jvr h SER 95 Ca 0.00 0.24 0.14 0.00 -0.84 0.00 0.00 61.79 61.33 1jvr h SER 95 Cb 0.00 0.66 -0.18 0.00 0.14 0.00 0.00 62.40 63.03 1jvr h SER 95 CO 0.00 -0.35 -0.10 0.00 -1.14 0.00 0.00 176.83 175.24 1jvr s ALA 96 N -5.84 -4.34 0.49 3.77 0.00 -1.25 -5.08 121.76 109.51 1jvr s ALA 96 Ca -0.14 1.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1jvr s ALA 96 Cb 0.13 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 1jvr s ALA 96 CO 0.66 -2.42 1.04 -1.25 0.00 0.00 0.00 175.76 173.78 1jvr s PRO 97 N 2.14 3.78 0.39 0.00 0.04 -1.26 -4.85 135.00 135.25 1jvr s PRO 97 Ca 0.17 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1jvr s PRO 97 Cb 0.02 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jvr s PRO 97 CO -0.16 -0.45 0.00 0.00 0.04 0.00 0.00 177.00 176.43 1jvr n ALA 98 N -1.02 -3.47 0.00 8.56 0.00 -1.26 -5.03 120.51 118.29 1jvr n ALA 98 Ca 0.09 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1jvr n ALA 98 Cb 0.53 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.83 0.00 0.02 0.00 0.00 -1.26 -4.99 120.51 111.45 1jvr n ALA 99 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1jvr n ALA 99 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 -0.15 -6.87 0.00 0.13 -2.01 -3.46 132.00 119.65 1jvr h PRO 100 Ca 0.00 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.60 1jvr h PRO 100 Cb 0.00 0.03 0.20 0.00 0.13 0.00 0.00 31.00 31.36 1jvr h PRO 100 CO 0.00 0.32 -0.29 1.33 -0.23 0.00 0.00 178.00 179.14 1jvr n VAL 101 N -4.85 0.92 -2.45 1.56 0.24 -1.26 -4.89 118.33 107.59 1jvr n VAL 101 Ca -0.07 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 1jvr n VAL 101 Cb 0.27 -0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 31.81 1jvr n VAL 101 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1jvr s PRO 102 N -3.55 4.42 0.80 7.34 0.04 -1.26 -5.00 135.00 137.78 1jvr s PRO 102 Ca 0.63 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 1jvr s PRO 102 Cb -0.27 -3.43 0.07 0.00 0.04 0.00 0.00 34.50 30.91 1jvr s PRO 102 CO 0.61 -0.30 1.14 -2.37 0.04 0.00 0.00 177.00 176.12 1jvr n THR 103 N 4.15 2.15 -0.04 1.26 5.66 -1.26 -4.96 114.28 121.25 1jvr n THR 103 Ca 0.09 -0.24 -0.14 0.00 -3.05 0.00 0.00 64.05 60.72 1jvr n THR 103 Cb 0.47 -1.17 -0.11 0.00 -1.55 0.00 0.00 70.33 67.96 1jvr n THR 103 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1jvr h PRO 104 N -0.80 0.09 -2.53 1.09 0.13 -1.98 -3.49 132.00 124.50 1jvr h PRO 104 Ca -0.46 -0.08 0.25 0.00 -0.87 0.00 0.00 66.00 64.83 1jvr h PRO 104 Cb 1.30 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.36 1jvr h PRO 104 CO 0.46 0.81 -0.57 1.51 -0.23 0.00 0.00 178.00 179.98 1jvr n ILE 105 N -4.63 0.00 -1.29 -3.56 0.00 -1.26 -4.95 119.36 103.66 1jvr n ILE 105 Ca -0.09 0.27 0.15 0.00 0.00 0.00 0.00 62.75 63.08 1jvr n ILE 105 Cb 0.42 -0.60 -0.06 0.00 0.00 0.00 0.00 39.64 39.39 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 -3.58 4.65 0.00 0.00 0.04 -1.26 -4.88 135.00 129.97 1jvr s PRO 107 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1jvr s PRO 107 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1jvr s PRO 107 CO 0.00 0.21 0.00 0.25 0.04 0.00 0.00 177.00 177.50 1jvr n THR 108 N 1.45 0.00 -3.70 1.26 -2.24 -1.26 -4.84 114.28 104.94 1jvr n THR 108 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1jvr n THR 108 Cb 0.45 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 1jvr n THR 108 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1jvr s THR 109 N 0.00 0.04 -0.84 4.28 2.01 -1.26 -4.91 115.64 114.96 1jvr s THR 109 Ca 0.00 -0.31 -0.22 0.00 0.31 0.00 0.00 61.69 61.47 1jvr s THR 109 Cb 0.00 -0.70 -0.21 0.00 0.01 0.00 0.00 72.50 71.61 1jvr s THR 109 CO 0.00 -0.17 2.15 0.41 -0.69 0.00 0.00 174.62 176.32 1jvr n THR 110 N 1.41 0.00 -2.37 -0.82 -1.04 -1.26 -4.77 114.28 105.42 1jvr n THR 110 Ca -0.20 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.29 1jvr n THR 110 Cb 0.56 -0.32 -0.02 0.00 -1.82 0.00 0.00 70.33 68.73 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 7.14 3.80 0.88 -2.82 0.04 -1.26 -5.01 135.00 137.78 1jvr s PRO 111 Ca 1.13 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 1jvr s PRO 111 Cb -0.97 -3.94 0.12 0.00 0.04 0.00 0.00 34.50 29.75 1jvr s PRO 111 CO 0.42 -1.27 1.13 -1.25 0.04 0.00 0.00 177.00 176.08 1jvr s PRO 112 N 4.44 1.37 -0.33 0.56 0.04 -1.26 -4.97 135.00 134.85 1jvr s PRO 112 Ca 0.59 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1jvr s PRO 112 Cb -0.16 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1jvr s PRO 112 CO 0.26 -2.05 1.36 -1.25 0.04 0.00 0.00 177.00 175.37 1jvr s PRO 113 N -5.25 3.80 0.69 0.56 0.04 -1.26 -5.01 135.00 128.57 1jvr s PRO 113 Ca 0.63 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1jvr s PRO 113 Cb -0.15 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.46 1jvr s PRO 113 CO 0.53 -1.27 1.06 -1.25 0.04 0.00 0.00 177.00 176.11 1jvr s PRO 114 N 4.45 2.95 -0.33 0.56 0.04 -1.26 -4.97 135.00 136.44 1jvr s PRO 114 Ca 0.59 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1jvr s PRO 114 Cb -0.16 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1jvr s PRO 114 CO 0.27 -1.09 1.37 -1.25 0.04 0.00 0.00 177.00 176.33 1jvr s PRO 115 N -5.02 3.80 0.69 0.56 0.04 -1.26 -5.01 135.00 128.80 1jvr s PRO 115 Ca 0.58 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1jvr s PRO 115 Cb -0.14 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.47 1jvr s PRO 115 CO 0.55 -1.28 1.06 -1.25 0.04 0.00 0.00 177.00 176.12 1jvr s PRO 116 N 4.46 2.93 0.82 0.56 0.04 -1.26 -5.05 135.00 137.50 1jvr s PRO 116 Ca 0.59 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 1jvr s PRO 116 Cb -0.16 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.47 1jvr s PRO 116 CO 0.27 -1.10 1.10 -1.25 0.04 0.00 0.00 177.00 176.06 1jvr s PRO 117 N -5.02 1.94 0.11 0.56 0.04 -1.26 -5.07 135.00 126.30 1jvr s PRO 117 Ca 0.58 0.57 0.02 0.00 0.04 0.00 0.00 61.00 62.22 1jvr s PRO 117 Cb -0.14 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1jvr s PRO 117 CO 0.55 -1.71 0.18 -1.54 0.04 0.00 0.00 177.00 174.52 1jvr s SER 118 N -3.94 5.99 1.09 6.66 1.04 -1.26 -5.12 113.70 118.17 1jvr s SER 118 Ca 0.61 0.10 -0.14 0.00 0.48 0.00 0.00 55.95 57.00 1jvr s SER 118 Cb -0.14 -1.73 0.20 0.00 0.10 0.00 0.00 66.02 64.45 1jvr s SER 118 CO 0.54 0.12 0.92 -0.81 0.98 0.00 0.00 173.24 174.98 1jvr n PRO 119 N -0.02 -1.78 -1.90 4.02 -0.04 -1.26 -4.86 135.00 129.15 1jvr n PRO 119 Ca -0.07 -1.44 -0.23 0.00 -0.04 0.00 0.00 63.50 61.72 1jvr n PRO 119 Cb 0.53 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 1jvr n PRO 119 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1jvr s GLU 120 N -5.04 2.23 0.03 0.54 2.56 -1.26 -4.82 118.70 112.95 1jvr s GLU 120 Ca 0.55 -0.17 -0.08 0.00 0.00 0.00 0.00 54.97 55.27 1jvr s GLU 120 Cb -0.03 -5.00 -0.03 0.00 2.00 0.00 0.00 34.13 31.07 1jvr s GLU 120 CO 0.40 -3.82 1.13 0.00 -0.56 0.00 0.00 175.26 172.42 1jvr h ALA 121 N 11.52 -0.41 -0.23 6.30 0.00 -1.99 -3.44 119.26 131.00 1jvr h ALA 121 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jvr h ALA 121 Cb 1.00 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1jvr h ALA 121 CO 1.15 -0.48 0.00 1.58 0.00 0.00 0.00 179.25 181.50 1jvr n HIS 122 N -3.34 0.00 0.00 0.00 -0.00 -1.26 -5.10 115.22 105.52 1jvr n HIS 122 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1jvr n HIS 122 Cb 0.08 0.46 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 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 -2.38 0.00 -2.01 3.57 0.31 -1.26 -5.14 118.33 111.42 1jvr n VAL 123 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1jvr n VAL 123 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 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 0.00 3.33 -0.32 5.55 0.04 -1.26 -4.98 135.00 137.35 1jvr s PRO 124 Ca 0.00 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1jvr s PRO 124 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1jvr s PRO 124 CO 0.00 -0.80 1.37 -1.25 0.04 0.00 0.00 177.00 176.36 1jvr s PRO 125 N -4.23 3.80 0.16 0.56 0.04 -1.26 -4.99 135.00 129.08 1jvr s PRO 125 Ca 0.62 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 1jvr s PRO 125 Cb -0.15 -3.94 -0.07 0.00 0.04 0.00 0.00 34.50 30.38 1jvr s PRO 125 CO 0.39 -1.27 1.12 -1.25 0.04 0.00 0.00 177.00 176.03 1jvr s PRO 126 N 4.45 4.56 -1.03 0.56 0.04 -1.26 -3.37 135.00 138.95 1jvr s PRO 126 Ca 0.59 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1jvr s PRO 126 Cb -0.17 -3.28 0.12 0.00 0.04 0.00 0.00 34.50 31.21 1jvr s PRO 126 CO 0.27 0.02 0.34 0.98 0.04 0.00 0.00 177.00 178.64 1jvr n TYR 127 N 2.56 -1.59 -1.42 0.56 9.36 -1.26 -4.51 117.16 120.87 1jvr n TYR 127 Ca 0.04 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.63 1jvr n TYR 127 Cb 0.46 -1.65 -0.00 0.00 -0.63 0.00 0.00 39.34 37.52 1jvr n TYR 127 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1jvr n VAL 128 N -3.40 0.00 -3.09 2.97 3.14 -1.22 -4.83 118.33 111.91 1jvr n VAL 128 Ca 0.05 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.44 1jvr n VAL 128 Cb 0.48 -0.01 -0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1jvr n VAL 128 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1jvr s GLU 129 N -0.09 0.69 0.32 1.45 2.12 -1.26 -5.06 118.70 116.86 1jvr s GLU 129 Ca 0.00 -0.26 -0.28 0.00 0.36 0.00 0.00 54.97 54.79 1jvr s GLU 129 Cb 0.00 0.07 -0.09 0.00 0.26 0.00 0.00 34.13 34.37 1jvr s GLU 129 CO 0.00 -0.99 1.07 -1.25 -0.54 0.00 0.00 175.26 173.55 1jvr s PRO 130 N 1.81 4.49 -0.07 4.30 0.04 -1.26 -4.95 135.00 139.36 1jvr s PRO 130 Ca 0.17 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1jvr s PRO 130 Cb -0.02 -2.97 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 1jvr s PRO 130 CO -0.09 0.11 1.99 0.99 0.04 0.00 0.00 177.00 180.04 1jvr s THR 131 N -1.33 3.12 0.21 1.26 2.01 -1.26 -4.69 115.64 114.96 1jvr s THR 131 Ca 0.49 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1jvr s THR 131 Cb -0.28 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1jvr s THR 131 CO 0.36 -0.04 0.00 0.35 -0.69 0.00 0.00 174.62 174.60 1jvr n THR 132 N 6.26 0.00 -0.22 -0.82 -2.24 -1.26 -5.14 114.28 110.86 1jvr n THR 132 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1jvr n THR 132 Cb 0.43 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1jvr n THR 132 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1jvr n THR 133 N -3.22 0.00 0.00 4.28 5.66 -1.26 -4.93 114.28 114.81 1jvr n THR 133 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jvr n THR 133 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1jvr n THR 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jvr n GLN 134 N -0.02 0.00 -2.61 1.09 0.00 -1.26 -5.04 117.38 109.55 1jvr n GLN 134 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.58 1jvr n GLN 134 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06