#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvr s MET 1 N 0.00 1.01 0.00 1.57 1.00 -1.26 -4.94 119.30 116.68 1jvr s MET 1 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 55.69 54.83 1jvr s MET 1 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 34.83 34.82 1jvr s MET 1 CO 0.00 -1.28 0.00 0.41 0.00 0.00 0.00 175.02 174.15 1jvr n GLY 2 N 3.31 0.92 4.39 -0.03 0.00 -1.26 -4.07 105.19 108.44 1jvr n GLY 2 Ca 0.16 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.32 -0.73 -4.20 1.61 0.00 -1.26 -4.86 117.38 107.61 1jvr n GLN 3 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 57.00 57.01 1jvr n GLN 3 Cb 0.29 -4.47 -0.10 0.00 0.00 0.00 0.00 30.24 25.96 1jvr n GLN 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 1jvr s ILE 4 N -3.13 0.09 0.00 -0.39 2.07 -1.26 -4.91 121.20 113.67 1jvr s ILE 4 Ca 0.79 -1.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.05 1jvr s ILE 4 Cb -0.46 -2.42 0.00 0.00 0.13 0.00 0.00 42.46 39.71 1jvr s ILE 4 CO 0.97 -0.10 0.00 1.57 -1.91 0.00 0.00 174.94 175.48 1jvr n HIS 5 N -0.25 0.00 -1.52 3.50 -0.00 -1.26 -4.17 115.22 111.52 1jvr n HIS 5 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 1jvr n HIS 5 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.63 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 0.00 4.36 0.11 1.57 0.00 -1.26 -4.43 105.19 105.54 1jvr n GLY 6 Ca 0.00 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.57 1jvr n GLY 6 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1jvr h LEU 7 N 8.07 0.00 -7.49 0.99 -0.00 -1.91 -3.41 115.31 111.56 1jvr h LEU 7 Ca 0.75 -0.08 -0.46 0.00 -0.00 0.00 0.00 57.88 58.09 1jvr h LEU 7 Cb 0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.00 1jvr h LEU 7 CO 1.81 0.04 1.67 -1.54 -0.00 0.00 0.00 178.44 180.42 1jvr n SER 8 N -2.49 0.15 -4.74 0.17 3.41 -1.26 -4.81 113.62 104.06 1jvr n SER 8 Ca 0.03 0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 1jvr n SER 8 Cb 0.49 -0.84 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 1jvr n SER 8 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jvr s PRO 9 N 8.29 4.57 0.11 4.33 0.04 -1.26 -4.96 135.00 146.12 1jvr s PRO 9 Ca 1.27 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 63.83 1jvr s PRO 9 Cb -1.15 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 30.04 1jvr s PRO 9 CO 0.46 0.03 1.69 1.15 0.04 0.00 0.00 177.00 180.38 1jvr h THR 10 N 3.75 0.74 -1.63 1.26 2.02 -2.00 -3.35 112.91 113.70 1jvr h THR 10 Ca -0.44 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.25 1jvr h THR 10 Cb 1.21 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.30 1jvr h THR 10 CO 0.73 0.00 1.17 -2.16 0.37 0.00 0.00 175.52 175.63 1jvr s PRO 11 N -6.16 2.99 -0.12 6.66 0.04 -1.26 -4.92 135.00 132.22 1jvr s PRO 11 Ca -0.14 -0.21 -0.09 0.00 0.04 0.00 0.00 61.00 60.60 1jvr s PRO 11 Cb 0.08 -4.68 0.04 0.00 0.04 0.00 0.00 34.50 29.98 1jvr s PRO 11 CO 0.67 -2.58 0.31 0.42 0.04 0.00 0.00 177.00 175.85 1jvr s ILE 12 N 7.41 -0.01 0.95 0.56 -1.09 -1.26 -5.17 121.20 122.60 1jvr s ILE 12 Ca 0.54 0.04 -0.14 0.00 -2.23 0.00 0.00 60.65 58.87 1jvr s ILE 12 Cb -0.07 -0.44 0.16 0.00 -1.58 0.00 0.00 42.46 40.53 1jvr s ILE 12 CO 0.08 0.02 1.16 -2.16 -1.23 0.00 0.00 174.94 172.80 1jvr s PRO 13 N 0.56 0.79 0.04 2.79 0.04 -1.26 -5.00 135.00 132.97 1jvr s PRO 13 Ca -0.03 0.17 -0.19 0.00 0.04 0.00 0.00 61.00 60.98 1jvr s PRO 13 Cb -0.05 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1jvr s PRO 13 CO -0.03 -2.41 1.30 -0.22 0.04 0.00 0.00 177.00 175.68 1jvr h LYS 14 N -1.65 -0.60 -3.54 4.56 3.64 -2.02 -3.37 116.57 113.59 1jvr h LYS 14 Ca -0.49 0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.29 1jvr h LYS 14 Cb 1.32 0.14 -0.41 0.00 -0.41 0.00 0.00 32.23 32.87 1jvr h LYS 14 CO 0.56 -0.40 -0.67 0.00 -2.27 0.00 0.00 179.45 176.67 1jvr s ALA 15 N -4.60 3.00 0.14 5.00 0.00 -1.26 -4.93 121.76 119.11 1jvr s ALA 15 Ca -0.10 -3.00 -0.05 0.00 0.00 0.00 0.00 51.96 48.82 1jvr s ALA 15 Cb 0.02 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 1jvr s ALA 15 CO 0.32 -1.96 1.33 -1.00 0.00 0.00 0.00 175.76 174.45 1jvr h PRO 16 N 6.77 0.46 -1.50 0.00 0.13 -1.98 -3.47 132.00 132.41 1jvr h PRO 16 Ca -0.06 -0.45 0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1jvr h PRO 16 Cb 0.92 0.12 -0.26 0.00 0.13 0.00 0.00 31.00 31.91 1jvr h PRO 16 CO 0.62 1.10 0.55 0.50 -0.23 0.00 0.00 178.00 180.54 1jvr s ARG 17 N -3.40 0.45 0.00 0.86 3.52 -1.26 -5.05 118.95 114.07 1jvr s ARG 17 Ca -0.06 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 1jvr s ARG 17 Cb 0.09 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.73 1jvr s ARG 17 CO 0.87 -0.08 0.75 0.41 -0.81 0.00 0.00 175.30 176.44 1jvr n GLY 18 N 1.68 0.80 3.28 8.12 0.00 -1.26 -5.02 105.19 112.78 1jvr n GLY 18 Ca -0.11 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 0.04 5.62 -4.35 0.99 4.77 -1.26 -4.93 117.00 117.87 1jvr n LEU 19 Ca -0.07 -4.05 -0.62 0.00 -0.03 0.00 0.00 56.01 51.25 1jvr n LEU 19 Cb 0.63 -1.70 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 1jvr n LEU 19 CO -0.04 0.53 0.98 -0.24 -1.33 0.00 0.00 177.39 177.29 1jvr n SER 20 N 7.35 0.95 -0.18 -1.43 2.88 -1.26 -4.74 113.62 117.19 1jvr n SER 20 Ca 0.49 1.10 0.14 0.00 -1.33 0.00 0.00 58.87 59.26 1jvr n SER 20 Cb 0.43 -0.82 0.47 0.00 -0.75 0.00 0.00 64.21 63.54 1jvr n SER 20 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1jvr h THR 21 N 4.35 0.82 -0.10 2.46 2.02 -1.98 -0.29 112.91 120.18 1jvr h THR 21 Ca -0.42 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1jvr h THR 21 Cb 1.27 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1jvr h THR 21 CO 0.86 0.09 0.04 -0.74 0.37 0.00 0.00 175.52 176.14 1jvr h HIS 22 N 0.49 0.07 -0.69 3.16 -0.00 -1.98 1.79 115.15 117.99 1jvr h HIS 22 Ca 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.76 1jvr h HIS 22 Cb 0.78 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 28.14 1jvr h HIS 22 CO -0.00 0.04 0.45 1.12 -0.00 0.00 0.00 177.93 179.54 1jvr h HIS 23 N 0.09 0.86 -0.32 5.26 2.07 -1.44 -0.56 115.15 121.11 1jvr h HIS 23 Ca 0.04 0.02 -0.07 0.00 -2.85 0.00 0.00 60.37 57.51 1jvr h HIS 23 Cb 0.02 -0.29 -0.01 0.00 2.57 0.00 0.00 27.41 29.70 1jvr h HIS 23 CO -0.10 0.54 -0.06 2.35 -3.07 0.00 0.00 177.93 177.59 1jvr h TRP 24 N 0.92 0.68 -0.89 6.12 -0.00 -0.69 -2.40 115.95 119.70 1jvr h TRP 24 Ca 0.25 -0.14 0.20 0.00 -0.00 0.00 0.00 58.89 59.20 1jvr h TRP 24 Cb -0.09 -0.17 -0.07 0.00 -0.00 0.00 0.00 29.16 28.83 1jvr h TRP 24 CO -0.03 0.77 0.59 1.25 -0.00 0.00 0.00 178.44 181.03 1jvr h LEU 25 N 0.39 0.40 -2.25 0.65 5.85 0.34 1.71 115.31 122.40 1jvr h LEU 25 Ca 0.08 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1jvr h LEU 25 Cb 0.54 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1jvr h LEU 25 CO 0.03 0.16 -0.00 -1.13 -0.34 0.00 0.00 178.44 177.16 1jvr h ASN 26 N 0.41 0.00 0.08 1.25 -1.24 -0.59 0.40 115.58 115.88 1jvr h ASN 26 Ca 0.46 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 57.11 1jvr h ASN 26 Cb 1.15 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.14 1jvr h ASN 26 CO -0.17 0.00 -2.29 0.33 -1.29 0.00 0.00 177.43 174.01 1jvr n PHE 27 N -3.09 0.28 0.17 0.67 -0.00 0.54 -3.89 117.46 112.14 1jvr n PHE 27 Ca -0.01 0.08 0.04 0.00 -0.00 0.00 0.00 57.45 57.55 1jvr n PHE 27 Cb 0.18 -1.04 0.24 0.00 -0.00 0.00 0.00 39.48 38.86 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 0.00 0.35 -2.13 5.85 0.09 -2.54 115.31 116.94 1jvr h LEU 28 Ca -0.51 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1jvr h LEU 28 Cb 2.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.10 1jvr h LEU 28 CO -0.00 0.46 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.78 1jvr h GLN 29 N 0.00 -0.46 -0.81 1.25 4.15 -0.40 -0.89 115.11 117.95 1jvr h GLN 29 Ca -0.00 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.52 1jvr h GLN 29 Cb 1.05 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.78 1jvr h GLN 29 CO 0.06 -0.14 0.48 0.00 -1.93 0.00 0.00 178.83 177.31 1jvr h ALA 30 N -0.41 1.13 -0.65 3.38 0.00 -1.67 0.14 119.26 121.17 1jvr h ALA 30 Ca -0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jvr h ALA 30 Cb 0.53 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1jvr h ALA 30 CO 0.08 0.17 0.43 0.00 0.00 0.00 0.00 179.25 179.93 1jvr h ALA 31 N 1.41 1.53 0.00 0.00 0.00 -1.41 0.96 119.26 121.75 1jvr h ALA 31 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1jvr h ALA 31 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jvr h ALA 31 CO -0.20 0.44 0.00 -0.92 0.00 0.00 0.00 179.25 178.57 1jvr h TYR 32 N 0.89 0.00 0.00 0.00 3.20 0.64 -2.81 116.97 118.88 1jvr h TYR 32 Ca 0.24 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1jvr h TYR 32 Cb -0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1jvr h TYR 32 CO 0.00 0.00 -0.35 -0.09 -1.64 0.00 0.00 178.16 176.08 1jvr h ARG 33 N 0.00 0.00 0.00 1.82 2.43 0.14 -3.43 114.38 115.34 1jvr h ARG 33 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jvr h ARG 33 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1jvr h ARG 33 CO 0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 1jvr n LEU 34 N -2.59 0.00 -3.48 3.80 4.77 -0.86 -4.84 117.00 113.81 1jvr n LEU 34 Ca 0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 1jvr n LEU 34 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1jvr n LEU 34 CO 0.35 0.00 1.69 0.00 -1.33 0.00 0.00 177.39 178.10 1jvr n GLN 35 N 0.00 0.00 -2.47 3.23 0.00 -1.26 -4.79 117.38 112.09 1jvr n GLN 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.58 1jvr n GLN 35 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 30.24 29.18 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 6.44 4.48 0.05 2.61 0.04 -1.26 -4.95 135.00 142.41 1jvr s PRO 36 Ca 1.04 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 63.77 1jvr s PRO 36 Cb -0.87 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 30.35 1jvr s PRO 36 CO 0.40 -0.16 0.19 0.41 0.04 0.00 0.00 177.00 177.88 1jvr n GLY 37 N 2.91 1.40 0.00 0.56 0.00 -1.26 -5.18 105.19 103.62 1jvr n GLY 37 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.13 0.63 -0.31 1.61 -0.04 -1.26 -4.82 135.00 130.68 1jvr n PRO 38 Ca -0.01 0.00 0.29 0.00 -0.04 0.00 0.00 63.50 63.74 1jvr n PRO 38 Cb 0.12 0.00 0.54 0.00 -0.04 0.00 0.00 33.50 34.12 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 -0.74 0.29 -0.10 3.54 7.64 -1.26 -4.80 113.62 118.18 1jvr n SER 39 Ca 0.00 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.49 1jvr n SER 39 Cb 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 -5.21 -1.18 -2.72 6.43 5.68 -1.26 -4.57 116.55 113.72 1jvr n ASP 40 Ca 0.35 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.59 1jvr n ASP 40 Cb 1.19 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 41.23 1jvr n ASP 40 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1jvr n PHE 41 N -0.21 0.29 0.61 2.11 1.16 -1.26 -4.86 117.46 115.30 1jvr n PHE 41 Ca 0.00 -2.34 0.08 0.00 -1.87 0.00 0.00 57.45 53.32 1jvr n PHE 41 Cb 0.00 0.18 0.24 0.00 -1.61 0.00 0.00 39.48 38.29 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1jvr n ASP 42 N -0.47 2.45 0.05 5.98 9.92 -1.26 -3.70 116.55 129.52 1jvr n ASP 42 Ca 0.04 -1.95 0.11 0.00 -0.53 0.00 0.00 54.79 52.46 1jvr n ASP 42 Cb 0.82 -0.27 -0.02 0.00 -0.64 0.00 0.00 41.12 41.01 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 0.83 0.49 -0.02 1.24 3.01 -1.26 -3.97 117.46 117.78 1jvr n PHE 43 Ca 0.16 0.14 -0.11 0.00 1.01 0.00 0.00 57.45 58.65 1jvr n PHE 43 Cb 0.40 -0.66 -0.06 0.00 -0.01 0.00 0.00 39.48 39.15 1jvr n PHE 43 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1jvr h GLN 44 N 0.00 0.18 0.00 -1.08 -0.00 -1.98 0.63 115.11 112.86 1jvr h GLN 44 Ca 0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 1jvr h GLN 44 Cb 0.90 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.34 1jvr h GLN 44 CO 0.00 0.27 -0.17 -0.56 -0.00 0.00 0.00 178.83 178.37 1jvr h GLN 45 N 0.05 0.00 0.04 0.06 -0.00 -1.82 -2.49 115.11 110.95 1jvr h GLN 45 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1jvr h GLN 45 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.63 1jvr h GLN 45 CO -0.00 0.17 -0.02 -0.07 -0.00 0.00 0.00 178.83 178.91 1jvr h LEU 46 N 0.00 -0.04 -1.90 0.06 3.38 -1.53 -3.10 115.31 112.18 1jvr h LEU 46 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1jvr h LEU 46 Cb 0.50 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jvr h LEU 46 CO 0.02 0.67 0.37 -0.09 0.09 0.00 0.00 178.44 179.50 1jvr h ARG 47 N -0.98 0.00 0.11 1.13 2.43 0.35 0.83 114.38 118.25 1jvr h ARG 47 Ca -0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1jvr h ARG 47 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1jvr h ARG 47 CO 0.01 0.00 -1.19 0.00 -1.51 0.00 0.00 179.97 177.28 1jvr h ARG 48 N 0.00 0.30 0.08 0.20 3.08 -1.46 -2.07 114.38 114.50 1jvr h ARG 48 Ca 0.01 -0.46 -0.28 0.00 0.07 0.00 0.00 59.98 59.31 1jvr h ARG 48 Cb 0.74 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1jvr h ARG 48 CO -0.00 1.20 -1.39 0.35 -1.07 0.00 0.00 179.97 179.06 1jvr h PHE 49 N 0.10 0.30 0.10 3.04 3.57 0.55 -3.13 116.94 121.47 1jvr h PHE 49 Ca -0.13 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 1jvr h PHE 49 Cb 1.90 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.63 1jvr h PHE 49 CO 0.06 1.23 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.26 1jvr h LEU 50 N 0.05 -0.12 -2.11 0.59 3.38 -0.55 -2.39 115.31 114.17 1jvr h LEU 50 Ca -0.18 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.50 1jvr h LEU 50 Cb 1.95 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 1jvr h LEU 50 CO 0.15 0.34 0.28 0.07 0.09 0.00 0.00 178.44 179.37 1jvr h LYS 51 N -0.60 0.00 0.19 1.13 2.10 -1.51 0.11 116.57 117.99 1jvr h LYS 51 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1jvr h LYS 51 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1jvr h LYS 51 CO 0.02 0.00 -0.09 1.25 -2.00 0.00 0.00 179.45 178.63 1jvr h LEU 52 N 0.00 -0.22 -1.72 7.07 6.46 -1.43 -2.96 115.31 122.51 1jvr h LEU 52 Ca 0.14 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1jvr h LEU 52 Cb 0.70 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1jvr h LEU 52 CO -0.00 0.19 0.05 0.00 -0.62 0.00 0.00 178.44 178.05 1jvr h ALA 53 N 0.01 1.79 -0.76 1.25 0.00 -0.62 -0.52 119.26 120.41 1jvr h ALA 53 Ca -0.03 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.01 1jvr h ALA 53 Cb 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1jvr h ALA 53 CO 0.04 0.17 0.53 1.25 0.00 0.00 0.00 179.25 181.24 1jvr h LEU 54 N 0.22 0.19 0.00 0.00 5.85 -0.69 1.72 115.31 122.60 1jvr h LEU 54 Ca 0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1jvr h LEU 54 Cb 0.08 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1jvr h LEU 54 CO -0.00 0.09 0.00 2.29 -0.34 0.00 0.00 178.44 180.47 1jvr n LYS 55 N -4.41 0.00 -3.88 1.25 2.85 -0.20 -3.72 118.16 110.05 1jvr n LYS 55 Ca 0.15 0.31 -0.28 0.00 -1.05 0.00 0.00 58.31 57.44 1jvr n LYS 55 Cb 0.70 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.45 1jvr n LYS 55 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jvr s THR 56 N -3.00 2.64 -0.42 0.58 2.01 0.59 -4.97 115.64 113.07 1jvr s THR 56 Ca 0.05 -3.93 -0.06 0.00 0.31 0.00 0.00 61.69 58.07 1jvr s THR 56 Cb 0.07 -2.76 -0.16 0.00 0.01 0.00 0.00 72.50 69.66 1jvr s THR 56 CO 0.20 -0.97 2.72 -0.81 -0.69 0.00 0.00 174.62 175.07 1jvr n PRO 57 N 2.32 1.94 -0.00 4.92 -0.04 -1.24 -3.36 135.00 139.52 1jvr n PRO 57 Ca 0.17 -1.10 0.01 0.00 -0.04 0.00 0.00 63.50 62.54 1jvr n PRO 57 Cb 0.35 -2.12 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 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 3.07 0.02 0.00 0.52 0.13 -1.26 -4.43 119.36 117.42 1jvr n ILE 58 Ca 0.41 -0.06 0.05 0.00 -1.10 0.00 0.00 62.75 62.05 1jvr n ILE 58 Cb 0.51 0.23 -0.12 0.00 -0.84 0.00 0.00 39.64 39.43 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 -1.66 0.41 0.13 9.51 4.27 -1.22 -3.98 117.44 124.90 1jvr n TRP 59 Ca -0.01 0.13 -0.13 0.00 -3.89 0.00 0.00 57.50 53.60 1jvr n TRP 59 Cb 0.14 -0.82 -0.08 0.00 -1.36 0.00 0.00 31.31 29.19 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 -0.29 -0.27 5.67 4.07 -1.81 1.24 115.31 123.92 1jvr h LEU 60 Ca -0.14 -0.22 0.04 0.00 0.08 0.00 0.00 57.88 57.63 1jvr h LEU 60 Cb 1.37 0.08 -0.07 0.00 1.08 0.00 0.00 40.66 43.12 1jvr h LEU 60 CO 0.02 0.11 -0.55 0.78 -1.08 0.00 0.00 178.44 177.72 1jvr h ASN 61 N -0.76 -1.78 0.74 -0.43 2.35 -1.77 0.37 115.58 114.30 1jvr h ASN 61 Ca -0.04 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1jvr h ASN 61 Cb 0.50 0.71 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1jvr h ASN 61 CO 0.06 -0.44 0.00 -0.81 -1.65 0.00 0.00 177.43 174.59 1jvr n PRO 62 N -5.36 0.01 -2.80 0.81 -0.04 -1.23 -4.96 135.00 121.43 1jvr n PRO 62 Ca -0.05 0.12 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1jvr n PRO 62 Cb 0.35 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.49 -1.95 -3.42 0.52 0.13 0.42 -4.98 119.36 108.59 1jvr n ILE 63 Ca 0.05 0.35 0.01 0.00 -1.10 0.00 0.00 62.75 62.06 1jvr n ILE 63 Cb 0.25 -2.57 -0.03 0.00 -0.84 0.00 0.00 39.64 36.45 1jvr n ILE 63 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 1jvr s ASP 64 N -0.90 -1.23 0.13 9.51 -0.00 -0.98 -5.00 116.67 118.21 1jvr s ASP 64 Ca 0.06 1.24 0.12 0.00 -0.00 0.00 0.00 52.55 53.97 1jvr s ASP 64 Cb -0.01 2.22 0.57 0.00 -0.00 0.00 0.00 42.92 45.71 1jvr s ASP 64 CO 0.14 -0.23 1.35 0.00 -0.00 0.00 0.00 175.17 176.43 1jvr n TYR 65 N 5.43 0.33 0.29 4.23 4.19 -1.26 -1.48 117.16 128.89 1jvr n TYR 65 Ca -0.07 0.16 0.15 0.00 3.31 0.00 0.00 57.90 61.45 1jvr n TYR 65 Cb 0.50 -0.76 0.87 0.00 0.49 0.00 0.00 39.34 40.44 1jvr n TYR 65 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 1jvr h SER 66 N 0.00 0.00 0.74 2.98 0.87 -1.98 0.98 113.55 117.15 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 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1jvr h SER 66 CO 0.00 0.05 -1.09 -0.11 -0.53 0.00 0.00 176.83 175.14 1jvr n LEU 67 N -3.67 0.67 0.36 2.23 0.00 -0.55 -3.98 117.00 112.06 1jvr n LEU 67 Ca -0.02 0.21 -0.14 0.00 0.00 0.00 0.00 56.01 56.05 1jvr n LEU 67 Cb 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 43.42 43.42 1jvr n LEU 67 CO 0.28 -0.10 0.41 -0.07 0.00 0.00 0.00 177.39 177.90 1jvr h LEU 68 N 0.00 -0.79 -2.00 -1.96 3.38 -0.90 -1.71 115.31 111.33 1jvr h LEU 68 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jvr h LEU 68 Cb 0.92 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1jvr h LEU 68 CO 0.00 -0.46 0.34 0.00 0.09 0.00 0.00 178.44 178.41 1jvr h ALA 69 N -1.36 1.36 -0.07 1.53 0.00 -1.67 0.41 119.26 119.47 1jvr h ALA 69 Ca -0.10 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1jvr h ALA 69 Cb 0.71 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jvr h ALA 69 CO 0.16 -0.34 -0.61 1.03 0.00 0.00 0.00 179.25 179.48 1jvr h SER 70 N 0.00 0.65 -0.94 0.00 0.87 -1.56 -3.18 113.55 109.40 1jvr h SER 70 Ca 0.01 -0.68 0.11 0.00 -1.23 0.00 0.00 61.79 59.99 1jvr h SER 70 Cb 0.68 -0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.36 1jvr h SER 70 CO -0.00 1.24 0.58 -0.07 -0.53 0.00 0.00 176.83 178.04 1jvr h LEU 71 N 0.12 0.84 -8.39 2.23 4.07 0.72 -3.40 115.31 111.50 1jvr h LEU 71 Ca -0.06 0.05 -0.60 0.00 0.08 0.00 0.00 57.88 57.36 1jvr h LEU 71 Cb 1.27 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.86 1jvr h LEU 71 CO 0.12 0.45 1.53 -0.38 -1.08 0.00 0.00 178.44 179.09 1jvr n ILE 72 N -4.66 0.07 -2.34 1.22 5.41 -1.10 -4.83 119.36 113.14 1jvr n ILE 72 Ca 0.17 -0.29 -0.42 0.00 1.00 0.00 0.00 62.75 63.20 1jvr n ILE 72 Cb 0.33 -1.54 -0.02 0.00 -0.71 0.00 0.00 39.64 37.69 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 7.27 3.43 -1.04 0.38 0.04 -1.26 -3.97 135.00 139.84 1jvr s PRO 73 Ca 1.14 0.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.70 1jvr s PRO 73 Cb -0.86 -4.08 0.04 0.00 0.04 0.00 0.00 34.50 29.64 1jvr s PRO 73 CO 0.46 -1.75 0.61 1.17 0.04 0.00 0.00 177.00 177.52 1jvr n LYS 74 N 8.33 -0.51 -1.29 4.56 4.81 -1.26 -4.41 118.16 128.39 1jvr n LYS 74 Ca 0.16 0.15 0.09 0.00 -0.87 0.00 0.00 58.31 57.84 1jvr n LYS 74 Cb 0.48 -2.13 -0.05 0.00 0.02 0.00 0.00 35.03 33.36 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jvr n GLY 75 N -1.92 -3.55 3.51 3.14 0.00 -1.25 -5.03 105.19 100.08 1jvr n GLY 75 Ca -0.15 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 1jvr n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jvr s TYR 76 N -4.60 2.09 0.00 1.61 5.04 -1.26 -5.03 117.35 115.20 1jvr s TYR 76 Ca 0.00 -0.91 0.00 0.00 -2.44 0.00 0.00 57.07 53.72 1jvr s TYR 76 Cb 0.00 -1.41 0.00 0.00 0.35 0.00 0.00 41.96 40.90 1jvr s TYR 76 CO 0.00 0.11 0.00 -0.35 -1.34 0.00 0.00 175.55 173.97 1jvr n PRO 77 N -0.80 -0.18 0.00 4.97 -0.04 -1.26 -4.76 135.00 132.94 1jvr n PRO 77 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1jvr n PRO 77 Cb 0.67 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.13 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 3.73 -0.40 1.69 0.55 0.00 -1.26 -3.87 105.19 105.62 1jvr n GLY 78 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.89 4.30 -0.03 1.61 0.00 -1.26 -4.45 116.66 115.93 1jvr n ARG 79 Ca 0.00 -3.03 -0.11 0.00 -0.00 0.00 0.00 57.85 54.71 1jvr n ARG 79 Cb 0.00 -2.08 -0.05 0.00 -0.00 0.00 0.00 32.46 30.33 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1jvr h VAL 80 N 3.84 1.10 -0.53 8.89 2.07 -1.91 -1.61 116.25 128.10 1jvr h VAL 80 Ca 0.00 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 1jvr h VAL 80 Cb 1.73 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1jvr h VAL 80 CO 0.37 0.09 -0.07 0.58 0.02 0.00 0.00 177.57 178.56 1jvr h VAL 81 N 0.16 1.26 -0.69 2.57 2.07 -1.78 -2.35 116.25 117.49 1jvr h VAL 81 Ca 0.06 -1.19 0.14 0.00 0.82 0.00 0.00 66.70 66.52 1jvr h VAL 81 Cb 0.07 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1jvr h VAL 81 CO -0.01 0.42 0.47 -0.08 0.02 0.00 0.00 177.57 178.39 1jvr h GLU 82 N 0.87 0.36 0.00 1.57 4.81 -1.72 1.10 114.58 121.57 1jvr h GLU 82 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1jvr h GLU 82 Cb 0.60 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1jvr h GLU 82 CO 0.04 0.24 0.00 0.82 -0.73 0.00 0.00 179.01 179.38 1jvr h ILE 83 N 0.37 0.00 0.10 2.32 2.04 -0.77 -3.15 117.51 118.42 1jvr h ILE 83 Ca 0.33 -0.81 -0.34 0.00 1.00 0.00 0.00 64.86 65.05 1jvr h ILE 83 Cb 0.78 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1jvr h ILE 83 CO -0.10 0.00 -1.86 0.40 0.00 0.00 0.00 178.15 176.59 1jvr h ILE 84 N 0.00 0.76 -0.56 -0.67 2.04 0.93 -3.33 117.51 116.68 1jvr h ILE 84 Ca 0.00 -2.49 0.16 0.00 1.00 0.00 0.00 64.86 63.53 1jvr h ILE 84 Cb 0.84 2.54 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 1jvr h ILE 84 CO 0.00 0.79 0.42 0.78 0.00 0.00 0.00 178.15 180.15 1jvr h ASN 85 N 0.06 0.00 0.40 1.72 2.35 0.85 0.92 115.58 121.87 1jvr h ASN 85 Ca -0.37 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.29 1jvr h ASN 85 Cb 2.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.39 1jvr h ASN 85 CO 0.10 0.00 -0.44 0.40 -1.65 0.00 0.00 177.43 175.84 1jvr h ILE 86 N 0.00 1.32 -0.04 2.81 2.04 -1.66 0.18 117.51 122.16 1jvr h ILE 86 Ca 0.27 -1.53 -0.15 0.00 1.00 0.00 0.00 64.86 64.44 1jvr h ILE 86 Cb 1.11 1.79 0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1jvr h ILE 86 CO -0.00 0.44 -0.58 -0.07 0.00 0.00 0.00 178.15 177.94 1jvr h LEU 87 N 0.05 0.57 0.04 1.44 3.38 0.67 -2.62 115.31 118.84 1jvr h LEU 87 Ca 0.00 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 1jvr h LEU 87 Cb 0.80 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jvr h LEU 87 CO 0.06 1.21 -0.02 0.58 0.09 0.00 0.00 178.44 180.36 1jvr h VAL 88 N -0.01 1.11 -0.23 1.22 2.07 -1.01 -1.82 116.25 117.57 1jvr h VAL 88 Ca -0.06 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1jvr h VAL 88 Cb 1.26 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1jvr h VAL 88 CO 0.12 0.12 0.29 0.50 0.02 0.00 0.00 177.57 178.62 1jvr h LYS 89 N -0.27 0.00 -0.03 1.57 3.64 -0.73 0.78 116.57 121.52 1jvr h LYS 89 Ca -0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1jvr h LYS 89 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1jvr h LYS 89 CO 0.01 0.00 -0.56 -0.97 -2.27 0.00 0.00 179.45 175.66 1jvr h ASN 90 N 0.00 0.11 0.32 4.20 -1.24 -0.94 -3.27 115.58 114.76 1jvr h ASN 90 Ca 0.11 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1jvr h ASN 90 Cb 0.69 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1jvr h ASN 90 CO -0.00 0.65 -0.15 1.56 -1.29 0.00 0.00 177.43 178.20 1jvr h GLN 91 N 0.08 -0.41 -2.55 6.67 1.08 0.83 -3.46 115.11 117.35 1jvr h GLN 91 Ca -0.00 0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 57.00 1jvr h GLN 91 Cb 1.01 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.48 1jvr h GLN 91 CO 0.08 -0.22 -0.24 1.55 -0.95 0.00 0.00 178.83 179.05 1jvr n VAL 92 N -5.06 -0.23 -1.56 -0.54 3.14 -0.84 -4.85 118.33 108.40 1jvr n VAL 92 Ca -0.06 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.95 1jvr n VAL 92 Cb 0.19 -1.27 0.05 0.00 -1.06 0.00 0.00 33.84 31.76 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 -0.91 0.27 -4.75 6.55 2.88 -1.26 -4.92 113.62 111.47 1jvr n SER 93 Ca -0.12 0.77 -0.40 0.00 -1.33 0.00 0.00 58.87 57.78 1jvr n SER 93 Cb 0.46 -1.34 -0.04 0.00 -0.75 0.00 0.00 64.21 62.54 1jvr n SER 93 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jvr s PRO 94 N -2.68 4.64 0.37 -1.46 0.04 -1.26 -4.83 135.00 129.83 1jvr s PRO 94 Ca 0.75 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1jvr s PRO 94 Cb -0.41 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1jvr s PRO 94 CO 0.49 0.20 0.00 0.43 0.04 0.00 0.00 177.00 178.16 1jvr n SER 95 N 1.49 -7.61 -3.94 6.66 7.64 -1.26 -4.70 113.62 111.89 1jvr n SER 95 Ca -0.00 0.74 -0.30 0.00 1.01 0.00 0.00 58.87 60.32 1jvr n SER 95 Cb 0.45 -4.01 -0.14 0.00 -1.01 0.00 0.00 64.21 59.50 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jvr s ALA 96 N -2.68 3.12 -0.51 -0.43 0.00 -1.26 -5.06 121.76 114.93 1jvr s ALA 96 Ca 0.00 -3.07 -0.28 0.00 0.00 0.00 0.00 51.96 48.61 1jvr s ALA 96 Cb 0.00 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 21.03 1jvr s ALA 96 CO 0.00 -1.95 1.47 -1.25 0.00 0.00 0.00 175.76 174.02 1jvr s PRO 97 N 0.00 3.32 0.23 0.00 0.04 -1.26 -4.79 135.00 132.54 1jvr s PRO 97 Ca 0.16 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1jvr s PRO 97 Cb -0.24 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1jvr s PRO 97 CO -0.02 -1.90 0.00 0.00 0.04 0.00 0.00 177.00 175.12 1jvr n ALA 98 N 9.67 -2.22 -2.23 8.56 0.00 -1.26 -5.03 120.51 128.00 1jvr n ALA 98 Ca 0.15 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 1jvr n ALA 98 Cb 0.49 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.19 -3.34 -1.55 0.00 0.00 -1.26 -5.02 120.51 107.16 1jvr n ALA 99 Ca -0.00 0.54 -0.29 0.00 0.00 0.00 0.00 53.44 53.69 1jvr n ALA 99 Cb 0.39 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 18.89 1jvr n ALA 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jvr s PRO 100 N -0.96 1.53 -0.08 0.00 0.04 -1.26 -4.46 135.00 129.81 1jvr s PRO 100 Ca -0.04 0.43 -0.07 0.00 0.04 0.00 0.00 61.00 61.37 1jvr s PRO 100 Cb 0.00 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1jvr s PRO 100 CO 0.49 -1.96 0.11 1.33 0.04 0.00 0.00 177.00 177.01 1jvr n VAL 101 N -3.63 -1.54 0.08 -0.36 0.24 -1.26 -4.89 118.33 106.97 1jvr n VAL 101 Ca 0.07 0.24 -0.04 0.00 -2.04 0.00 0.00 64.34 62.56 1jvr n VAL 101 Cb 0.58 -1.93 -0.02 0.00 -1.47 0.00 0.00 33.84 31.00 1jvr n VAL 101 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1jvr h PRO 102 N 2.24 -0.26 0.00 7.34 0.13 -1.98 -3.49 132.00 135.97 1jvr h PRO 102 Ca -0.10 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1jvr h PRO 102 Cb 0.69 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1jvr h PRO 102 CO 0.04 -0.17 0.00 2.41 -0.23 0.00 0.00 178.00 180.04 1jvr n THR 103 N -4.36 0.00 -2.51 1.56 -1.04 -1.26 -4.89 114.28 101.77 1jvr n THR 103 Ca -0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 1jvr n THR 103 Cb 0.11 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.57 1jvr n THR 103 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 104 N 0.00 4.64 0.13 -2.82 0.04 -1.26 -4.94 135.00 130.79 1jvr s PRO 104 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1jvr s PRO 104 Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1jvr s PRO 104 CO 0.00 0.23 0.00 -0.89 0.04 0.00 0.00 177.00 176.38 1jvr n ILE 105 N 1.15 0.50 0.00 0.56 -0.00 -1.26 -5.09 119.36 115.21 1jvr n ILE 105 Ca -0.01 0.17 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 1jvr n ILE 105 Cb 0.45 -0.96 0.00 0.00 -0.00 0.00 0.00 39.64 39.13 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 0.00 4.27 -0.03 0.00 0.04 -1.26 -5.00 135.00 133.01 1jvr s PRO 107 Ca 0.00 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.58 1jvr s PRO 107 Cb 0.00 -3.71 0.02 0.00 0.04 0.00 0.00 34.50 30.86 1jvr s PRO 107 CO 0.00 -0.63 0.31 -0.08 0.04 0.00 0.00 177.00 176.64 1jvr s THR 108 N 3.11 0.05 -0.21 1.26 -1.32 -1.26 -5.14 115.64 112.14 1jvr s THR 108 Ca 0.56 -0.41 -0.27 0.00 -1.21 0.00 0.00 61.69 60.36 1jvr s THR 108 Cb -0.23 -0.60 0.08 0.00 -1.51 0.00 0.00 72.50 70.25 1jvr s THR 108 CO 0.17 -0.22 0.77 0.28 -2.21 0.00 0.00 174.62 173.42 1jvr s THR 109 N -1.11 0.00 -0.51 5.08 -1.32 -1.26 -5.11 115.64 111.40 1jvr s THR 109 Ca -0.12 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.43 1jvr s THR 109 Cb -0.05 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.13 1jvr s THR 109 CO 0.04 0.00 0.75 -0.89 -2.21 0.00 0.00 174.62 172.30 1jvr s THR 110 N -0.16 -0.96 0.65 5.08 2.01 -1.26 -5.16 115.64 115.85 1jvr s THR 110 Ca -0.03 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.92 1jvr s THR 110 Cb -0.03 0.00 -0.01 0.00 0.01 0.00 0.00 72.50 72.46 1jvr s THR 110 CO 0.02 0.00 1.05 -2.16 -0.69 0.00 0.00 174.62 172.85 1jvr s PRO 111 N 0.91 3.15 0.72 4.92 0.04 -1.26 -5.04 135.00 138.43 1jvr s PRO 111 Ca 0.29 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1jvr s PRO 111 Cb 0.01 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1jvr s PRO 111 CO -0.05 -0.93 1.07 -1.25 0.04 0.00 0.00 177.00 175.87 1jvr s PRO 112 N -4.62 2.75 0.71 0.56 0.04 -1.26 -5.04 135.00 128.13 1jvr s PRO 112 Ca 0.60 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1jvr s PRO 112 Cb -0.14 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1jvr s PRO 112 CO 0.47 -1.22 1.06 -1.25 0.04 0.00 0.00 177.00 176.11 1jvr s PRO 113 N -5.07 2.84 -0.33 0.56 0.04 -1.26 -4.97 135.00 126.81 1jvr s PRO 113 Ca 0.59 0.92 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1jvr s PRO 113 Cb -0.14 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1jvr s PRO 113 CO 0.55 -1.16 1.36 -1.25 0.04 0.00 0.00 177.00 176.53 1jvr s PRO 114 N -5.05 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 127.79 1jvr s PRO 114 Ca 0.58 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1jvr s PRO 114 Cb -0.14 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1jvr s PRO 114 CO 0.55 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.44 1jvr s PRO 115 N 4.44 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 137.28 1jvr s PRO 115 Ca 0.59 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1jvr s PRO 115 Cb -0.16 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 115 CO 0.26 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.14 1jvr s PRO 116 N 4.45 3.80 1.10 0.56 0.04 -1.26 -5.01 135.00 138.67 1jvr s PRO 116 Ca 0.59 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 1jvr s PRO 116 Cb -0.16 -3.94 0.25 0.00 0.04 0.00 0.00 34.50 30.69 1jvr s PRO 116 CO 0.27 -1.28 1.23 -1.25 0.04 0.00 0.00 177.00 176.00 1jvr s PRO 117 N 4.46 -0.41 0.87 0.56 0.04 -1.26 -4.97 135.00 134.28 1jvr s PRO 117 Ca 0.59 -0.29 -0.17 0.00 0.04 0.00 0.00 61.00 61.17 1jvr s PRO 117 Cb -0.16 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 1jvr s PRO 117 CO 0.27 -3.13 -0.52 -1.13 0.04 0.00 0.00 177.00 172.52 1jvr n SER 118 N -4.30 -5.07 -3.29 6.66 3.41 -1.26 -4.66 113.62 105.12 1jvr n SER 118 Ca 0.15 0.32 -0.31 0.00 -0.26 0.00 0.00 58.87 58.77 1jvr n SER 118 Cb 0.59 -0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 63.69 1jvr n SER 118 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1jvr n PRO 119 N 1.89 2.71 -3.76 4.33 -0.04 -1.26 -4.86 135.00 134.00 1jvr n PRO 119 Ca 0.01 -1.83 -0.22 0.00 -0.04 0.00 0.00 63.50 61.42 1jvr n PRO 119 Cb 0.54 -2.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.29 1jvr n PRO 119 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jvr s GLU 120 N 3.03 2.49 0.00 0.54 8.01 -1.26 -4.71 118.70 126.79 1jvr s GLU 120 Ca 0.53 -1.56 0.00 0.00 0.01 0.00 0.00 54.97 53.95 1jvr s GLU 120 Cb 0.14 -2.30 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 1jvr s GLU 120 CO -0.04 -0.10 0.00 0.00 0.01 0.00 0.00 175.26 175.13 1jvr n ALA 121 N -1.42 0.00 0.00 5.21 0.00 -1.26 -4.76 120.51 118.28 1jvr n ALA 121 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1jvr n ALA 121 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1jvr n ALA 121 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jvr n HIS 122 N 0.00 0.00 -3.23 0.00 8.25 -1.26 -3.98 115.22 115.00 1jvr n HIS 122 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1jvr n HIS 122 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1jvr n HIS 122 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1jvr s VAL 123 N 0.00 -0.33 0.59 1.59 -7.23 -1.26 -5.15 120.40 108.62 1jvr s VAL 123 Ca 0.00 -1.38 -0.15 0.00 -1.81 0.00 0.00 61.98 58.64 1jvr s VAL 123 Cb 0.00 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 1jvr s VAL 123 CO 0.00 -0.60 1.05 -2.16 -0.31 0.00 0.00 175.10 173.08 1jvr s PRO 124 N 0.96 3.35 -0.33 4.82 0.04 -1.26 -4.98 135.00 137.61 1jvr s PRO 124 Ca 0.24 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1jvr s PRO 124 Cb -0.07 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1jvr s PRO 124 CO -0.08 -0.78 1.36 -1.25 0.04 0.00 0.00 177.00 176.29 1jvr s PRO 125 N -4.17 3.80 -0.84 0.56 0.04 -1.26 -4.94 135.00 128.19 1jvr s PRO 125 Ca 0.63 1.18 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 1jvr s PRO 125 Cb -0.15 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1jvr s PRO 125 CO 0.38 -1.27 1.64 -1.25 0.04 0.00 0.00 177.00 176.54 1jvr s PRO 126 N 4.44 3.00 -0.18 0.56 0.04 -1.26 -4.76 135.00 136.84 1jvr s PRO 126 Ca 0.59 -0.31 0.16 0.00 0.04 0.00 0.00 61.00 61.47 1jvr s PRO 126 Cb -0.16 -4.80 0.71 0.00 0.04 0.00 0.00 34.50 30.28 1jvr s PRO 126 CO 0.26 -2.64 1.62 2.48 0.04 0.00 0.00 177.00 178.77 1jvr n TYR 127 N 11.27 1.59 -4.29 0.56 0.18 -1.26 -4.89 117.16 120.32 1jvr n TYR 127 Ca 0.26 -0.72 -0.21 0.00 1.88 0.00 0.00 57.90 59.10 1jvr n TYR 127 Cb 0.50 -0.37 -0.16 0.00 -0.38 0.00 0.00 39.34 38.92 1jvr n TYR 127 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1jvr s VAL 128 N -2.44 0.71 -0.14 -3.48 -7.23 -1.26 -5.14 120.40 101.42 1jvr s VAL 128 Ca 0.50 -0.23 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 1jvr s VAL 128 Cb 0.36 -0.70 0.04 0.00 0.56 0.00 0.00 36.38 36.65 1jvr s VAL 128 CO 0.17 0.26 0.35 -0.70 -0.31 0.00 0.00 175.10 174.87 1jvr s GLU 129 N 0.82 0.37 -0.44 4.82 2.56 -1.26 -5.12 118.70 120.45 1jvr s GLU 129 Ca -0.12 0.58 -0.29 0.00 0.00 0.00 0.00 54.97 55.14 1jvr s GLU 129 Cb -0.15 0.09 0.01 0.00 2.00 0.00 0.00 34.13 36.08 1jvr s GLU 129 CO 0.01 -0.10 1.43 -1.25 -0.56 0.00 0.00 175.26 174.79 1jvr s PRO 130 N 0.69 3.49 -0.18 4.30 0.04 -1.26 -4.30 135.00 137.78 1jvr s PRO 130 Ca -0.04 0.84 -0.16 0.00 0.04 0.00 0.00 61.00 61.68 1jvr s PRO 130 Cb -0.05 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 30.45 1jvr s PRO 130 CO -0.05 -1.67 0.26 0.25 0.04 0.00 0.00 177.00 175.83 1jvr n THR 131 N 7.05 -2.58 0.19 1.26 -2.24 -1.26 -4.90 114.28 111.80 1jvr n THR 131 Ca 0.16 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1jvr n THR 131 Cb 0.48 -3.00 0.00 0.00 -2.10 0.00 0.00 70.33 65.71 1jvr n THR 131 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jvr n THR 132 N 0.65 0.00 -3.58 4.28 -1.04 -1.26 -5.13 114.28 108.20 1jvr n THR 132 Ca -0.04 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.95 1jvr n THR 132 Cb 0.54 -0.26 -0.05 0.00 -1.82 0.00 0.00 70.33 68.74 1jvr n THR 132 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1jvr s THR 133 N -1.98 -0.33 -0.49 12.58 -1.32 -1.26 -5.09 115.64 117.75 1jvr s THR 133 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1jvr s THR 133 Cb 0.00 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.23 1jvr s THR 133 CO 0.00 0.00 0.88 1.67 -2.21 0.00 0.00 174.62 174.96 1jvr n GLN 134 N 4.51 0.77 -2.41 7.08 -0.06 -1.26 -4.87 117.38 121.14 1jvr n GLN 134 Ca -0.15 -1.76 -0.43 0.00 -2.00 0.00 0.00 57.00 52.66 1jvr n GLN 134 Cb 0.55 -1.47 0.01 0.00 -4.06 0.00 0.00 30.24 25.27 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86