#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 0.88 0.00 1.57 1.00 -1.26 -5.07 119.30 116.42 1jvr s MET 1 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 55.69 56.24 1jvr s MET 1 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 34.83 35.25 1jvr s MET 1 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.02 175.22 1jvr n GLY 2 N 1.67 -1.25 2.58 -0.03 0.00 -1.26 -5.14 105.19 101.75 1jvr n GLY 2 Ca -0.16 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1jvr n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jvr s GLN 3 N 0.00 0.19 -0.40 1.61 -1.52 -1.26 -5.01 119.66 113.27 1jvr s GLN 3 Ca 0.00 -0.42 0.12 0.00 -1.95 0.00 0.00 55.36 53.10 1jvr s GLN 3 Cb 0.00 -1.42 0.38 0.00 -0.22 0.00 0.00 33.01 31.75 1jvr s GLN 3 CO 0.00 -0.91 0.86 1.51 -0.25 0.00 0.00 175.29 176.51 1jvr n ILE 4 N 5.23 0.97 -3.83 1.08 0.13 -1.26 -5.06 119.36 116.62 1jvr n ILE 4 Ca -0.06 -4.41 -0.12 0.00 -1.10 0.00 0.00 62.75 57.06 1jvr n ILE 4 Cb 0.44 -0.33 -0.10 0.00 -0.84 0.00 0.00 39.64 38.81 1jvr n ILE 4 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 1jvr s HIS 5 N -2.91 -0.09 0.00 9.51 3.76 -1.26 -4.89 115.29 119.42 1jvr s HIS 5 Ca 0.39 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1jvr s HIS 5 Cb 0.37 0.02 0.00 0.00 1.11 0.00 0.00 32.58 34.08 1jvr s HIS 5 CO -0.07 -0.25 0.00 0.41 -0.85 0.00 0.00 174.74 173.98 1jvr n GLY 6 N 1.91 2.23 2.19 -2.22 0.00 -1.26 -4.68 105.19 103.36 1jvr n GLY 6 Ca -0.19 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 1jvr n GLY 6 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jvr n LEU 7 N 0.00 -0.84 0.13 0.99 -0.00 -1.26 -5.02 117.00 111.00 1jvr n LEU 7 Ca 0.00 -2.05 -0.13 0.00 -0.00 0.00 0.00 56.01 53.83 1jvr n LEU 7 Cb 0.00 0.61 -0.08 0.00 -0.00 0.00 0.00 43.42 43.94 1jvr n LEU 7 CO 0.00 1.33 0.60 0.28 -0.00 0.00 0.00 177.39 179.60 1jvr h SER 8 N 0.70 -0.27 -4.27 1.45 0.02 -1.90 -3.44 113.55 105.84 1jvr h SER 8 Ca -0.27 -0.19 -0.50 0.00 -0.84 0.00 0.00 61.79 59.98 1jvr h SER 8 Cb 1.16 0.07 0.08 0.00 0.14 0.00 0.00 62.40 63.85 1jvr h SER 8 CO -0.11 0.06 0.37 -2.16 -1.14 0.00 0.00 176.83 173.86 1jvr s PRO 9 N -4.85 3.16 -0.07 3.45 0.04 -1.26 -5.00 135.00 130.48 1jvr s PRO 9 Ca -0.15 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 61.70 1jvr s PRO 9 Cb 0.03 -2.02 -0.25 0.00 0.04 0.00 0.00 34.50 32.30 1jvr s PRO 9 CO 0.58 -0.93 0.96 1.15 0.04 0.00 0.00 177.00 178.80 1jvr h THR 10 N -0.14 1.59 0.00 1.26 2.02 -2.04 -3.42 112.91 112.18 1jvr h THR 10 Ca -0.45 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 64.60 1jvr h THR 10 Cb 1.21 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.59 1jvr h THR 10 CO 0.57 0.58 0.00 -0.81 0.37 0.00 0.00 175.52 176.24 1jvr n PRO 11 N -4.45 0.00 -3.59 6.66 -0.04 -1.26 -5.06 135.00 127.26 1jvr n PRO 11 Ca -0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 1jvr n PRO 11 Cb 0.56 -0.34 -0.06 0.00 -0.04 0.00 0.00 33.50 33.62 1jvr n PRO 11 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1jvr s ILE 12 N -0.11 0.00 1.10 0.52 2.07 -1.26 -5.15 121.20 118.37 1jvr s ILE 12 Ca 0.00 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.06 1jvr s ILE 12 Cb 0.00 -1.00 0.25 0.00 0.13 0.00 0.00 42.46 41.84 1jvr s ILE 12 CO 0.00 0.00 1.23 -2.16 -1.91 0.00 0.00 174.94 172.10 1jvr s PRO 13 N -0.76 -0.43 -0.99 3.50 0.04 -1.26 -4.34 135.00 130.76 1jvr s PRO 13 Ca -0.02 -0.30 -0.15 0.00 0.04 0.00 0.00 61.00 60.58 1jvr s PRO 13 Cb -0.02 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.83 1jvr s PRO 13 CO 0.01 -3.15 0.64 0.36 0.04 0.00 0.00 177.00 174.90 1jvr n LYS 14 N -4.31 -0.99 -1.30 4.56 2.85 -1.26 -4.82 118.16 112.89 1jvr n LYS 14 Ca 0.15 0.46 -0.35 0.00 -1.05 0.00 0.00 58.31 57.52 1jvr n LYS 14 Cb 0.59 -2.35 0.09 0.00 -0.65 0.00 0.00 35.03 32.71 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jvr n ALA 15 N -3.66 -0.51 -1.00 0.58 0.00 -1.26 -5.00 120.51 109.66 1jvr n ALA 15 Ca -0.24 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1jvr n ALA 15 Cb 0.64 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.80 0.62 -0.69 0.00 -0.04 -1.26 -4.99 135.00 126.84 1jvr n PRO 16 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1jvr n PRO 16 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.32 0.00 0.00 0.54 0.63 -1.26 -5.00 116.66 111.25 1jvr n ARG 17 Ca 0.00 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1jvr n ARG 17 Cb 0.00 -0.28 0.00 0.00 0.45 0.00 0.00 32.46 32.63 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jvr n GLY 18 N 0.52 -0.59 2.41 5.14 0.00 -1.26 -4.58 105.19 106.83 1jvr n GLY 18 Ca 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 1jvr n GLY 18 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jvr n LEU 19 N 0.00 -0.32 -2.97 0.99 0.00 -1.26 -5.02 117.00 108.42 1jvr n LEU 19 Ca 0.00 -4.47 -0.08 0.00 0.00 0.00 0.00 56.01 51.46 1jvr n LEU 19 Cb 0.00 0.77 0.01 0.00 0.00 0.00 0.00 43.42 44.20 1jvr n LEU 19 CO 0.00 2.18 -0.31 -1.54 0.00 0.00 0.00 177.39 177.72 1jvr n SER 20 N 0.27 -7.35 -0.27 1.96 3.41 -1.26 -4.54 113.62 105.84 1jvr n SER 20 Ca 0.17 0.74 -0.00 0.00 -0.26 0.00 0.00 58.87 59.52 1jvr n SER 20 Cb 0.68 -4.08 0.20 0.00 -0.26 0.00 0.00 64.21 60.76 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 2.71 1.21 -0.07 6.66 2.02 -1.95 -0.68 112.91 122.82 1jvr h THR 21 Ca -0.09 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1jvr h THR 21 Cb 0.70 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1jvr h THR 21 CO 0.13 0.21 0.04 0.45 0.37 0.00 0.00 175.52 176.72 1jvr h HIS 22 N 1.14 0.09 -0.88 3.16 3.86 -1.97 1.80 115.15 122.34 1jvr h HIS 22 Ca 0.31 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.56 1jvr h HIS 22 Cb -0.13 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.26 1jvr h HIS 22 CO -0.00 0.09 0.57 0.45 0.86 0.00 0.00 177.93 179.90 1jvr h HIS 23 N 0.05 1.06 -0.21 2.45 -0.00 -1.73 -0.25 115.15 116.53 1jvr h HIS 23 Ca 0.02 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.31 1jvr h HIS 23 Cb 0.03 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.09 1jvr h HIS 23 CO -0.06 0.61 -0.29 2.35 -0.00 0.00 0.00 177.93 180.54 1jvr h TRP 24 N 1.10 0.68 -0.69 2.45 -0.00 -0.61 -2.65 115.95 116.23 1jvr h TRP 24 Ca 0.35 -0.22 0.20 0.00 -0.00 0.00 0.00 58.89 59.22 1jvr h TRP 24 Cb 0.02 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.16 29.02 1jvr h TRP 24 CO -0.02 0.94 0.51 1.25 -0.00 0.00 0.00 178.44 181.12 1jvr h LEU 25 N 0.23 0.00 -1.57 0.65 5.85 0.36 1.59 115.31 122.42 1jvr h LEU 25 Ca 0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1jvr h LEU 25 Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1jvr h LEU 25 CO 0.07 0.00 -0.17 -1.13 -0.34 0.00 0.00 178.44 176.87 1jvr h ASN 26 N 0.00 0.00 0.11 1.25 -1.24 -0.69 0.80 115.58 115.81 1jvr h ASN 26 Ca 0.33 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.97 1jvr h ASN 26 Cb 1.35 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.35 1jvr h ASN 26 CO -0.00 0.17 -2.20 0.33 -1.29 0.00 0.00 177.43 174.44 1jvr n PHE 27 N -3.52 0.55 0.22 0.67 -0.00 0.50 -3.80 117.46 112.08 1jvr n PHE 27 Ca -0.01 0.14 0.09 0.00 -0.00 0.00 0.00 57.45 57.67 1jvr n PHE 27 Cb 0.32 -1.08 0.49 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 0.02 0.00 0.41 -2.13 5.85 -0.14 -1.73 115.31 117.60 1jvr h LEU 28 Ca -0.48 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1jvr h LEU 28 Cb 2.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.05 1jvr h LEU 28 CO 0.01 0.25 -0.20 1.56 -0.34 0.00 0.00 178.44 179.73 1jvr h GLN 29 N 0.00 -0.53 -0.80 1.25 4.20 -0.99 -0.99 115.11 117.25 1jvr h GLN 29 Ca -0.00 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.83 1jvr h GLN 29 Cb 0.65 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 1jvr h GLN 29 CO 0.03 -0.25 0.52 0.00 -0.67 0.00 0.00 178.83 178.46 1jvr h ALA 30 N -0.82 1.70 -0.47 3.87 0.00 -1.64 0.17 119.26 122.08 1jvr h ALA 30 Ca -0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1jvr h ALA 30 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jvr h ALA 30 CO 0.09 0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.53 1jvr h ALA 31 N 1.59 1.19 0.00 0.00 0.00 -1.29 -1.15 119.26 119.59 1jvr h ALA 31 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jvr h ALA 31 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jvr h ALA 31 CO -0.13 0.54 0.00 -0.92 0.00 0.00 0.00 179.25 178.73 1jvr h TYR 32 N 0.71 0.00 0.00 0.00 3.20 0.69 -2.40 116.97 119.17 1jvr h TYR 32 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1jvr h TYR 32 Cb 0.38 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1jvr h TYR 32 CO 0.02 0.00 -0.38 -2.13 -1.64 0.00 0.00 178.16 174.03 1jvr n ARG 33 N -2.50 0.06 0.00 1.82 0.00 -0.38 -4.50 116.66 111.16 1jvr n ARG 33 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 1jvr n ARG 33 Cb 0.34 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.26 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 -1.63 0.14 0.00 6.15 4.77 -0.94 -5.09 117.00 120.41 1jvr n LEU 34 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1jvr n LEU 34 Cb 0.36 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1jvr n LEU 34 CO 0.33 -0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.35 1jvr n GLN 35 N -1.54 0.00 -0.88 3.23 6.02 -1.01 -4.99 117.38 118.22 1jvr n GLN 35 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1jvr n GLN 35 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 1jvr n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1jvr n PRO 36 N -0.91 2.20 0.00 -1.09 -0.04 -1.26 -4.89 135.00 129.02 1jvr n PRO 36 Ca 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1jvr n PRO 36 Cb 0.00 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.20 0.53 0.16 0.55 0.00 -1.26 -4.13 105.19 104.25 1jvr n GLY 37 Ca 0.47 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 1jvr n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jvr h PRO 38 N 0.00 -0.30 -6.36 1.61 0.13 -1.99 -3.47 132.00 121.62 1jvr h PRO 38 Ca 0.00 0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.54 1jvr h PRO 38 Cb 0.00 0.07 -0.12 0.00 0.13 0.00 0.00 31.00 31.08 1jvr h PRO 38 CO 0.00 -0.14 -0.68 0.45 -0.23 0.00 0.00 178.00 177.41 1jvr s SER 39 N -5.23 4.62 1.03 1.44 0.15 -1.26 -5.10 113.70 109.35 1jvr s SER 39 Ca -0.06 -0.46 -0.18 0.00 0.70 0.00 0.00 55.95 55.95 1jvr s SER 39 Cb 0.00 -0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 63.37 1jvr s SER 39 CO 0.19 0.09 -0.31 0.47 1.20 0.00 0.00 173.24 174.89 1jvr n ASP 40 N -0.11 -2.99 -2.31 5.45 9.92 -1.26 -3.52 116.55 121.72 1jvr n ASP 40 Ca -0.10 0.07 -0.15 0.00 -0.53 0.00 0.00 54.79 54.09 1jvr n ASP 40 Cb 0.55 -0.91 0.04 0.00 -0.64 0.00 0.00 41.12 40.17 1jvr n ASP 40 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1jvr n PHE 41 N -3.72 -1.64 0.25 1.24 7.35 -1.26 -4.87 117.46 114.82 1jvr n PHE 41 Ca 0.01 0.54 0.10 0.00 -0.76 0.00 0.00 57.45 57.35 1jvr n PHE 41 Cb 0.61 -3.47 0.50 0.00 0.35 0.00 0.00 39.48 37.48 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1jvr n ASP 42 N -1.24 0.54 0.00 -2.13 5.68 -1.23 -1.07 116.55 117.09 1jvr n ASP 42 Ca -0.02 0.70 0.10 0.00 -0.50 0.00 0.00 54.79 55.07 1jvr n ASP 42 Cb 0.55 -0.79 0.58 0.00 -1.14 0.00 0.00 41.12 40.33 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1jvr n PHE 43 N -2.17 0.00 0.19 2.11 3.01 -1.26 -3.33 117.46 116.01 1jvr n PHE 43 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1jvr n PHE 43 Cb 0.11 -0.12 -0.07 0.00 -0.01 0.00 0.00 39.48 39.39 1jvr n PHE 43 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1jvr h GLN 44 N 0.00 -0.50 0.00 -1.08 5.75 -1.48 0.22 115.11 118.02 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 0.08 0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1jvr h GLN 44 CO 0.00 -0.19 0.02 1.96 -2.65 0.00 0.00 178.83 177.97 1jvr h GLN 45 N -0.96 0.00 0.00 1.69 1.08 -1.78 -1.15 115.11 113.99 1jvr h GLN 45 Ca -0.05 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1jvr h GLN 45 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1jvr h GLN 45 CO 0.09 0.00 -0.37 1.25 -0.95 0.00 0.00 178.83 178.84 1jvr h LEU 46 N 0.00 0.00 -2.05 1.46 6.46 -1.63 -3.28 115.31 116.26 1jvr h LEU 46 Ca 0.00 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.51 1jvr h LEU 46 Cb 0.05 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1jvr h LEU 46 CO 0.00 0.84 0.33 -0.09 -0.62 0.00 0.00 178.44 178.90 1jvr h ARG 47 N -1.00 0.00 -0.13 1.25 2.43 0.00 0.54 114.38 117.48 1jvr h ARG 47 Ca -0.06 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 1jvr h ARG 47 Cb 0.56 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1jvr h ARG 47 CO -0.04 0.00 -0.70 -0.09 -1.51 0.00 0.00 179.97 177.63 1jvr h ARG 48 N 0.00 0.55 0.09 0.20 2.43 -1.33 0.17 114.38 116.50 1jvr h ARG 48 Ca 0.04 -0.43 -0.29 0.00 -0.81 0.00 0.00 59.98 58.49 1jvr h ARG 48 Cb 0.69 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1jvr h ARG 48 CO -0.00 1.05 -1.45 0.35 -1.51 0.00 0.00 179.97 178.41 1jvr h PHE 49 N 0.39 0.36 0.33 2.20 3.57 -0.11 -2.99 116.94 120.69 1jvr h PHE 49 Ca -0.03 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 1jvr h PHE 49 Cb 1.28 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1jvr h PHE 49 CO 0.06 1.29 -0.16 -0.07 -2.23 0.00 0.00 178.31 177.20 1jvr h LEU 50 N 0.05 -0.37 -2.03 0.59 3.38 -0.88 -2.23 115.31 113.82 1jvr h LEU 50 Ca -0.21 -0.17 0.13 0.00 0.09 0.00 0.00 57.88 57.73 1jvr h LEU 50 Cb 1.98 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 1jvr h LEU 50 CO 0.15 0.07 0.35 0.50 0.09 0.00 0.00 178.44 179.61 1jvr h LYS 51 N -0.94 0.00 0.16 1.13 1.63 -1.11 -0.02 116.57 117.43 1jvr h LYS 51 Ca -0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1jvr h LYS 51 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1jvr h LYS 51 CO 0.07 0.00 -0.08 1.25 -3.45 0.00 0.00 179.45 177.25 1jvr h LEU 52 N 0.00 -0.19 -1.77 5.20 6.46 -1.37 -2.58 115.31 121.07 1jvr h LEU 52 Ca 0.21 -0.20 0.09 0.00 -0.12 0.00 0.00 57.88 57.86 1jvr h LEU 52 Cb 0.92 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 1jvr h LEU 52 CO -0.00 0.10 0.33 0.00 -0.62 0.00 0.00 178.44 178.24 1jvr h ALA 53 N 0.30 2.09 0.00 1.25 0.00 -0.41 0.65 119.26 123.14 1jvr h ALA 53 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jvr h ALA 53 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jvr h ALA 53 CO 0.04 -0.20 0.00 -0.11 0.00 0.00 0.00 179.25 178.98 1jvr n LEU 54 N -4.46 0.48 0.00 0.00 7.94 -0.59 -0.24 117.00 120.13 1jvr n LEU 54 Ca 0.07 0.69 0.11 0.00 -1.11 0.00 0.00 56.01 55.78 1jvr n LEU 54 Cb 0.35 -0.72 0.63 0.00 0.53 0.00 0.00 43.42 44.21 1jvr n LEU 54 CO 0.35 -0.78 0.87 1.17 -1.11 0.00 0.00 177.39 177.89 1jvr n LYS 55 N -2.11 0.50 -3.32 1.96 3.00 0.23 -4.28 118.16 114.14 1jvr n LYS 55 Ca -0.00 0.04 -0.11 0.00 -0.00 0.00 0.00 58.31 58.24 1jvr n LYS 55 Cb 0.07 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.54 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1jvr s THR 56 N -2.32 -0.56 -1.12 3.15 -1.32 0.66 -5.05 115.64 109.08 1jvr s THR 56 Ca 0.28 -0.49 -0.16 0.00 -1.21 0.00 0.00 61.69 60.11 1jvr s THR 56 Cb 0.16 -0.81 -0.07 0.00 -1.51 0.00 0.00 72.50 70.27 1jvr s THR 56 CO 0.31 -0.36 2.16 -0.81 -2.21 0.00 0.00 174.62 173.71 1jvr n PRO 57 N 4.95 2.28 -0.00 7.08 -0.04 -1.26 -3.97 135.00 144.04 1jvr n PRO 57 Ca 0.04 -2.10 0.01 0.00 -0.04 0.00 0.00 63.50 61.41 1jvr n PRO 57 Cb 0.48 -2.98 -0.01 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 0.03 0.52 0.13 -1.26 -4.44 119.36 119.55 1jvr n ILE 58 Ca 0.53 -0.04 0.10 0.00 -1.10 0.00 0.00 62.75 62.24 1jvr n ILE 58 Cb 0.35 0.30 -0.11 0.00 -0.84 0.00 0.00 39.64 39.34 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 0.37 0.14 9.51 4.27 -1.25 -4.03 117.44 124.84 1jvr n TRP 59 Ca -0.01 0.11 -0.11 0.00 -3.89 0.00 0.00 57.50 53.60 1jvr n TRP 59 Cb 0.10 -0.70 -0.07 0.00 -1.36 0.00 0.00 31.31 29.29 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 -0.36 -0.53 5.67 4.07 -1.84 1.09 115.31 123.40 1jvr h LEU 60 Ca -0.02 -0.17 0.06 0.00 0.08 0.00 0.00 57.88 57.83 1jvr h LEU 60 Cb 1.06 0.09 -0.09 0.00 1.08 0.00 0.00 40.66 42.80 1jvr h LEU 60 CO 0.00 0.09 -0.53 0.78 -1.08 0.00 0.00 178.44 177.70 1jvr h ASN 61 N -0.95 -1.82 1.07 -0.43 2.35 -1.78 0.56 115.58 114.57 1jvr h ASN 61 Ca -0.04 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1jvr h ASN 61 Cb 0.51 0.77 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1jvr h ASN 61 CO 0.07 -0.37 0.00 -0.81 -1.65 0.00 0.00 177.43 174.68 1jvr n PRO 62 N -5.37 0.21 -3.05 0.81 -0.04 -1.24 -4.97 135.00 121.34 1jvr n PRO 62 Ca -0.02 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1jvr n PRO 62 Cb 0.33 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.18 -1.75 -3.26 0.52 0.13 0.37 -5.00 119.36 108.19 1jvr n ILE 63 Ca 0.04 0.40 0.03 0.00 -1.10 0.00 0.00 62.75 62.12 1jvr n ILE 63 Cb 0.32 -2.79 -0.02 0.00 -0.84 0.00 0.00 39.64 36.31 1jvr n ILE 63 CO 0.00 0.00 0.00 1.51 2.80 0.00 0.00 176.55 180.86 1jvr s ASP 64 N -0.79 -0.90 0.27 9.51 -4.77 -1.04 -5.00 116.67 113.95 1jvr s ASP 64 Ca 0.00 0.76 0.17 0.00 -3.30 0.00 0.00 52.55 50.18 1jvr s ASP 64 Cb 0.00 1.83 0.93 0.00 -1.09 0.00 0.00 42.92 44.59 1jvr s ASP 64 CO 0.00 -0.17 1.51 0.00 0.70 0.00 0.00 175.17 177.21 1jvr n TYR 65 N 5.35 0.58 0.30 2.11 4.19 -1.26 -1.10 117.16 127.33 1jvr n TYR 65 Ca -0.06 0.30 0.17 0.00 3.31 0.00 0.00 57.90 61.63 1jvr n TYR 65 Cb 0.52 -0.96 0.98 0.00 0.49 0.00 0.00 39.34 40.38 1jvr n TYR 65 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1jvr h SER 66 N 0.00 0.00 0.78 2.98 4.64 -1.98 0.37 113.55 120.35 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jvr h SER 66 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1jvr h SER 66 CO 0.00 0.00 -1.00 -0.11 -0.87 0.00 0.00 176.83 174.85 1jvr n LEU 67 N -3.64 0.71 0.25 5.97 0.00 -0.26 -3.86 117.00 116.17 1jvr n LEU 67 Ca -0.03 0.21 -0.10 0.00 0.00 0.00 0.00 56.01 56.10 1jvr n LEU 67 Cb 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 43.42 43.39 1jvr n LEU 67 CO 0.25 -0.10 0.32 -0.07 0.00 0.00 0.00 177.39 177.79 1jvr h LEU 68 N 0.00 -0.56 -1.94 -1.96 3.38 -0.37 -1.87 115.31 111.98 1jvr h LEU 68 Ca 0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1jvr h LEU 68 Cb 0.89 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1jvr h LEU 68 CO 0.00 -0.24 0.37 0.00 0.09 0.00 0.00 178.44 178.66 1jvr h ALA 69 N -1.36 1.48 0.01 1.53 0.00 -1.63 0.74 119.26 120.02 1jvr h ALA 69 Ca -0.07 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 1jvr h ALA 69 Cb 0.51 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1jvr h ALA 69 CO 0.11 -0.40 -1.00 1.03 0.00 0.00 0.00 179.25 178.98 1jvr h SER 70 N 0.00 0.72 -0.84 0.00 0.87 -1.61 -3.20 113.55 109.50 1jvr h SER 70 Ca 0.03 -0.58 0.07 0.00 -1.23 0.00 0.00 61.79 60.08 1jvr h SER 70 Cb 0.77 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 1jvr h SER 70 CO -0.00 1.38 0.51 -0.07 -0.53 0.00 0.00 176.83 178.12 1jvr h LEU 71 N 0.31 0.78 -9.27 2.23 4.07 0.13 -3.42 115.31 110.15 1jvr h LEU 71 Ca -0.11 0.03 -0.67 0.00 0.08 0.00 0.00 57.88 57.21 1jvr h LEU 71 Cb 1.65 -0.13 0.03 0.00 1.08 0.00 0.00 40.66 43.29 1jvr h LEU 71 CO 0.19 0.49 0.85 -0.38 -1.08 0.00 0.00 178.44 178.50 1jvr n ILE 72 N -4.66 0.28 -0.71 1.22 5.41 -1.12 -4.77 119.36 115.01 1jvr n ILE 72 Ca 0.12 -0.05 -0.08 0.00 1.00 0.00 0.00 62.75 63.75 1jvr n ILE 72 Cb 0.20 -1.38 -0.11 0.00 -0.71 0.00 0.00 39.64 37.64 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 4.85 1.42 -0.45 0.38 -0.04 -1.26 -4.81 135.00 135.08 1jvr n PRO 73 Ca 0.22 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1jvr n PRO 73 Cb 0.22 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1jvr n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jvr n LYS 74 N 2.52 -0.01 0.00 0.54 5.02 -1.26 -4.18 118.16 120.79 1jvr n LYS 74 Ca 0.29 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1jvr n LYS 74 Cb 0.65 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 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 0.62 0.48 3.19 0.72 0.00 -1.26 -5.14 105.19 103.80 1jvr n GLY 75 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jvr n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jvr n TYR 76 N 0.00 -3.47 -1.54 1.61 4.02 -1.26 -4.95 117.16 111.57 1jvr n TYR 76 Ca 0.00 0.09 -0.29 0.00 -0.01 0.00 0.00 57.90 57.69 1jvr n TYR 76 Cb 0.00 -1.59 0.14 0.00 -0.02 0.00 0.00 39.34 37.87 1jvr n TYR 76 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1jvr s PRO 77 N -2.75 1.06 1.38 -0.72 0.04 -1.26 -4.84 135.00 127.92 1jvr s PRO 77 Ca 0.48 0.25 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 1jvr s PRO 77 Cb -0.19 -1.83 0.35 0.00 0.04 0.00 0.00 34.50 32.87 1jvr s PRO 77 CO 0.76 -2.24 0.95 0.20 0.04 0.00 0.00 177.00 176.70 1jvr s GLY 78 N -4.06 1.44 0.00 0.56 0.00 -1.26 -3.79 107.32 100.20 1jvr s GLY 78 Ca 0.64 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1jvr s GLY 78 CO 0.53 0.24 0.00 -2.13 0.00 0.00 0.00 173.10 171.74 1jvr n ARG 79 N -5.51 0.00 0.00 2.90 3.00 -1.26 -4.74 116.66 111.05 1jvr n ARG 79 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1jvr n ARG 79 Cb 0.59 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1jvr n VAL 80 N -2.00 0.00 -0.32 5.15 0.31 -1.25 -4.46 118.33 115.76 1jvr n VAL 80 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1jvr n VAL 80 Cb 0.00 -0.17 0.23 0.00 -0.91 0.00 0.00 33.84 32.99 1jvr n VAL 80 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1jvr h VAL 81 N 0.00 1.06 0.00 2.52 2.07 -1.85 0.36 116.25 120.41 1jvr h VAL 81 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1jvr h VAL 81 Cb 0.00 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.68 1jvr h VAL 81 CO 0.00 0.19 0.16 -0.08 0.02 0.00 0.00 177.57 177.87 1jvr h GLU 82 N 1.06 0.00 0.00 1.57 4.81 -1.89 1.83 114.58 121.95 1jvr h GLU 82 Ca 0.41 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.29 1jvr h GLU 82 Cb 0.22 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1jvr h GLU 82 CO -0.16 0.00 -2.31 -0.89 -0.73 0.00 0.00 179.01 174.93 1jvr n ILE 83 N -2.61 1.31 -0.09 2.32 5.41 0.10 -4.37 119.36 121.44 1jvr n ILE 83 Ca -0.02 -0.57 -0.15 0.00 1.00 0.00 0.00 62.75 63.02 1jvr n ILE 83 Cb 0.21 -1.15 -0.04 0.00 -0.71 0.00 0.00 39.64 37.95 1jvr n ILE 83 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1jvr h ILE 84 N 0.00 1.27 -0.26 1.39 2.04 0.10 -2.59 117.51 119.46 1jvr h ILE 84 Ca -0.51 -1.68 0.07 0.00 1.00 0.00 0.00 64.86 63.74 1jvr h ILE 84 Cb 1.87 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 1jvr h ILE 84 CO -0.06 0.55 0.41 -0.55 0.00 0.00 0.00 178.15 178.51 1jvr h ASN 85 N 0.70 0.00 0.60 1.72 -1.07 0.25 1.09 115.58 118.86 1jvr h ASN 85 Ca 0.03 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.17 1jvr h ASN 85 Cb 1.11 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.36 1jvr h ASN 85 CO 0.12 0.00 -1.03 0.40 0.07 0.00 0.00 177.43 176.99 1jvr h ILE 86 N 0.00 1.51 -0.31 6.14 2.04 -1.66 -1.27 117.51 123.97 1jvr h ILE 86 Ca 0.12 -2.83 -0.11 0.00 1.00 0.00 0.00 64.86 63.04 1jvr h ILE 86 Cb 0.94 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.68 1jvr h ILE 86 CO -0.00 0.83 -0.24 -0.07 0.00 0.00 0.00 178.15 178.67 1jvr h LEU 87 N 0.11 0.74 0.01 1.44 3.38 0.12 -1.21 115.31 119.89 1jvr h LEU 87 Ca -0.08 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1jvr h LEU 87 Cb 1.71 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1jvr h LEU 87 CO 0.16 1.03 -0.00 0.58 0.09 0.00 0.00 178.44 180.30 1jvr h VAL 88 N 0.46 1.25 -0.48 1.22 2.07 -1.20 -2.39 116.25 117.17 1jvr h VAL 88 Ca 0.06 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 66.94 1jvr h VAL 88 Cb 0.80 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1jvr h VAL 88 CO 0.06 0.20 0.34 0.50 0.02 0.00 0.00 177.57 178.69 1jvr h LYS 89 N -0.33 0.04 -0.19 1.57 1.63 -1.22 0.47 116.57 118.53 1jvr h LYS 89 Ca -0.00 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 1jvr h LYS 89 Cb 0.33 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1jvr h LYS 89 CO 0.00 0.03 -0.35 -0.97 -3.45 0.00 0.00 179.45 174.71 1jvr h ASN 90 N 0.04 0.43 -2.81 4.20 -0.73 -0.77 -3.46 115.58 112.48 1jvr h ASN 90 Ca 0.23 -0.17 -0.21 0.00 1.87 0.00 0.00 56.30 58.02 1jvr h ASN 90 Cb 0.86 -0.12 -0.05 0.00 0.27 0.00 0.00 38.32 39.29 1jvr h ASN 90 CO -0.01 0.75 -0.24 0.00 -0.37 0.00 0.00 177.43 177.56 1jvr n GLN 91 N -4.06 -1.81 0.17 6.67 10.64 0.16 -4.73 117.38 124.42 1jvr n GLN 91 Ca -0.01 0.56 0.18 0.00 -1.83 0.00 0.00 57.00 55.91 1jvr n GLN 91 Cb 0.46 -4.96 0.80 0.00 -0.86 0.00 0.00 30.24 25.68 1jvr n GLN 91 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 1jvr h VAL 92 N 0.00 0.38 -2.46 -0.39 3.04 -1.83 -3.47 116.25 111.52 1jvr h VAL 92 Ca -0.23 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 65.61 1jvr h VAL 92 Cb 0.95 0.75 -0.09 0.00 -2.01 0.00 0.00 31.29 30.89 1jvr h VAL 92 CO 0.31 0.00 -0.81 -1.20 -1.01 0.00 0.00 177.57 174.86 1jvr n SER 93 N -3.68 -5.50 -4.79 3.17 7.64 -1.26 -4.64 113.62 104.56 1jvr n SER 93 Ca 0.04 1.10 -0.29 0.00 1.01 0.00 0.00 58.87 60.73 1jvr n SER 93 Cb 0.45 -3.32 0.13 0.00 -1.01 0.00 0.00 64.21 60.45 1jvr n SER 93 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jvr s PRO 94 N -4.27 1.24 0.00 1.43 0.04 -1.26 -4.05 135.00 128.13 1jvr s PRO 94 Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1jvr s PRO 94 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1jvr s PRO 94 CO 0.00 -2.14 0.00 0.43 0.04 0.00 0.00 177.00 175.33 1jvr n SER 95 N -3.73 0.00 -2.56 6.66 7.64 -1.26 -4.67 113.62 115.70 1jvr n SER 95 Ca 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 1jvr n SER 95 Cb 0.59 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jvr n ALA 96 N 0.00 -3.49 -0.88 -0.43 0.00 -1.26 -4.75 120.51 109.70 1jvr n ALA 96 Ca 0.00 0.80 -0.21 0.00 0.00 0.00 0.00 53.44 54.04 1jvr n ALA 96 Cb 0.00 -1.58 -0.07 0.00 0.00 0.00 0.00 19.45 17.80 1jvr n ALA 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 97 N 0.81 2.24 -2.44 0.00 -0.04 -1.26 -4.69 135.00 129.63 1jvr n PRO 97 Ca -0.08 -1.35 -0.02 0.00 -0.04 0.00 0.00 63.50 62.02 1jvr n PRO 97 Cb 0.12 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.27 1jvr n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jvr n ALA 98 N 3.39 -2.47 -1.07 0.55 0.00 -1.26 -4.87 120.51 114.79 1jvr n ALA 98 Ca 0.48 1.07 -0.36 0.00 0.00 0.00 0.00 53.44 54.63 1jvr n ALA 98 Cb 0.39 -2.45 0.06 0.00 0.00 0.00 0.00 19.45 17.44 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 1.84 -3.52 -0.93 0.00 0.00 -1.26 -4.69 120.51 111.95 1jvr n ALA 99 Ca -0.13 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.62 1jvr n ALA 99 Cb 0.20 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 1jvr n ALA 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 100 N 0.71 2.49 0.12 0.00 -0.04 -1.26 -4.55 135.00 132.46 1jvr n PRO 100 Ca 0.04 -1.54 -0.13 0.00 -0.04 0.00 0.00 63.50 61.83 1jvr n PRO 100 Cb 0.52 -2.44 -0.08 0.00 -0.04 0.00 0.00 33.50 31.47 1jvr n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jvr h VAL 101 N 3.03 0.85 -3.87 0.52 2.07 -1.99 -3.42 116.25 113.44 1jvr h VAL 101 Ca 0.54 -0.06 -0.49 0.00 0.82 0.00 0.00 66.70 67.51 1jvr h VAL 101 Cb 0.41 0.89 0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1jvr h VAL 101 CO 1.30 0.01 0.44 -2.16 0.02 0.00 0.00 177.57 177.19 1jvr s PRO 102 N -6.04 4.45 -0.10 1.57 0.04 -1.26 -4.98 135.00 128.67 1jvr s PRO 102 Ca -0.14 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 62.31 1jvr s PRO 102 Cb 0.05 -2.92 -0.22 0.00 0.04 0.00 0.00 34.50 31.46 1jvr s PRO 102 CO 0.65 0.08 0.85 1.15 0.04 0.00 0.00 177.00 179.76 1jvr h THR 103 N 2.71 1.45 -1.01 1.26 2.02 -1.97 -3.45 112.91 113.93 1jvr h THR 103 Ca -0.47 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1jvr h THR 103 Cb 1.21 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 1jvr h THR 103 CO 0.65 0.44 0.00 -0.81 0.37 0.00 0.00 175.52 176.17 1jvr n PRO 104 N -4.72 0.61 0.00 6.66 -0.04 -1.26 -4.36 135.00 131.88 1jvr n PRO 104 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1jvr n PRO 104 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1jvr n PRO 104 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1jvr n ILE 105 N -0.77 0.00 -2.04 0.52 5.41 -1.26 -4.83 119.36 116.39 1jvr n ILE 105 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 1jvr n ILE 105 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jvr n PRO 107 N -1.61 0.00 -2.71 0.00 -0.04 -1.26 -4.78 135.00 124.61 1jvr n PRO 107 Ca 0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 1jvr n PRO 107 Cb 0.50 -0.45 0.01 0.00 -0.04 0.00 0.00 33.50 33.52 1jvr n PRO 107 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 108 N -0.32 1.33 -1.63 0.52 5.66 -1.26 -5.07 114.28 113.51 1jvr n THR 108 Ca 0.00 -3.93 0.00 0.00 -3.05 0.00 0.00 64.05 57.07 1jvr n THR 108 Cb 0.00 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 1jvr n THR 108 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1jvr n THR 109 N -0.14 -4.36 -2.25 1.09 -1.04 -1.26 -4.82 114.28 101.50 1jvr n THR 109 Ca 0.21 2.05 -0.02 0.00 -2.04 0.00 0.00 64.05 64.24 1jvr n THR 109 Cb 0.73 -3.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.23 1jvr n THR 109 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1jvr n THR 110 N -1.66 -1.36 -1.94 12.58 5.66 -1.26 -4.87 114.28 121.42 1jvr n THR 110 Ca 0.00 0.30 -0.32 0.00 -3.05 0.00 0.00 64.05 60.98 1jvr n THR 110 Cb 0.22 -1.95 0.02 0.00 -1.55 0.00 0.00 70.33 67.07 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1jvr s PRO 111 N -0.70 3.27 0.75 1.09 0.04 -1.26 -5.04 135.00 133.14 1jvr s PRO 111 Ca 0.02 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 1jvr s PRO 111 Cb -0.00 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.55 1jvr s PRO 111 CO 0.04 -0.84 1.08 -1.25 0.04 0.00 0.00 177.00 176.07 1jvr s PRO 112 N -4.35 2.47 0.60 0.56 0.04 -1.26 -5.04 135.00 128.02 1jvr s PRO 112 Ca 0.62 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.28 1jvr s PRO 112 Cb -0.15 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1jvr s PRO 112 CO 0.42 -1.38 1.05 -1.25 0.04 0.00 0.00 177.00 175.87 1jvr s PRO 113 N -5.11 3.33 0.62 0.56 0.04 -1.26 -5.04 135.00 128.14 1jvr s PRO 113 Ca 0.60 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 1jvr s PRO 113 Cb -0.14 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 113 CO 0.55 -0.80 1.05 -1.25 0.04 0.00 0.00 177.00 176.59 1jvr s PRO 114 N -4.24 3.24 0.60 0.56 0.04 -1.26 -5.04 135.00 128.90 1jvr s PRO 114 Ca 0.62 1.10 -0.15 0.00 0.04 0.00 0.00 61.00 62.61 1jvr s PRO 114 Cb -0.15 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1jvr s PRO 114 CO 0.39 -0.86 1.05 -1.25 0.04 0.00 0.00 177.00 176.37 1jvr s PRO 115 N -4.41 3.33 0.68 0.56 0.04 -1.26 -5.04 135.00 128.90 1jvr s PRO 115 Ca 0.61 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1jvr s PRO 115 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1jvr s PRO 115 CO 0.43 -0.80 1.06 -1.25 0.04 0.00 0.00 177.00 176.48 1jvr s PRO 116 N -4.23 2.98 -0.16 0.56 0.04 -1.26 -4.98 135.00 127.94 1jvr s PRO 116 Ca 0.62 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 1jvr s PRO 116 Cb -0.15 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1jvr s PRO 116 CO 0.39 -1.07 1.27 -1.25 0.04 0.00 0.00 177.00 176.39 1jvr s PRO 117 N -4.94 4.23 0.00 0.56 0.04 -1.26 -4.21 135.00 129.42 1jvr s PRO 117 Ca 0.59 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1jvr s PRO 117 Cb -0.14 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1jvr s PRO 117 CO 0.53 -0.71 0.00 0.45 0.04 0.00 0.00 177.00 177.31 1jvr n SER 118 N 6.60 0.00 -2.78 6.66 2.88 -1.26 -5.00 113.62 120.72 1jvr n SER 118 Ca 0.14 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.47 1jvr n SER 118 Cb 0.45 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 1jvr n SER 118 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jvr n PRO 119 N 0.00 2.28 0.00 -1.46 -0.04 -1.26 -4.92 135.00 129.60 1jvr n PRO 119 Ca 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1jvr n PRO 119 Cb 0.00 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 1jvr n PRO 119 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jvr n GLU 120 N 3.39 0.00 -0.10 0.54 0.00 -1.26 -4.63 120.64 118.58 1jvr n GLU 120 Ca 0.49 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 57.43 1jvr n GLU 120 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.75 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jvr n ALA 121 N 0.63 1.64 -3.81 -1.84 0.00 -1.26 -5.00 120.51 110.88 1jvr n ALA 121 Ca 0.00 -0.82 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 1jvr n ALA 121 Cb 0.00 0.23 0.03 0.00 0.00 0.00 0.00 19.45 19.71 1jvr n ALA 121 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1jvr n HIS 122 N -3.95 -1.75 -4.43 0.00 1.44 -1.26 -4.96 115.22 100.31 1jvr n HIS 122 Ca -0.40 0.37 -0.33 0.00 -2.01 0.00 0.00 57.72 55.35 1jvr n HIS 122 Cb 0.78 -3.29 -0.10 0.00 0.12 0.00 0.00 29.99 27.50 1jvr n HIS 122 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1jvr s VAL 123 N -3.52 3.91 0.98 0.61 1.01 -1.26 -5.12 120.40 117.01 1jvr s VAL 123 Ca 0.45 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1jvr s VAL 123 Cb -0.18 -2.68 0.18 0.00 0.00 0.00 0.00 36.38 33.69 1jvr s VAL 123 CO 0.89 0.46 1.17 -2.16 0.00 0.00 0.00 175.10 175.47 1jvr s PRO 124 N -1.26 0.55 0.64 2.72 0.04 -1.26 -5.04 135.00 131.40 1jvr s PRO 124 Ca 0.16 0.07 -0.13 0.00 0.04 0.00 0.00 61.00 61.14 1jvr s PRO 124 Cb -0.11 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1jvr s PRO 124 CO 0.06 -2.55 1.05 -1.25 0.04 0.00 0.00 177.00 174.36 1jvr s PRO 125 N -5.43 3.16 0.05 0.56 0.04 -1.26 -4.99 135.00 127.12 1jvr s PRO 125 Ca 0.67 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1jvr s PRO 125 Cb -0.11 -2.02 -0.21 0.00 0.04 0.00 0.00 34.50 32.20 1jvr s PRO 125 CO 0.54 -0.93 1.18 -1.00 0.04 0.00 0.00 177.00 176.83 1jvr h PRO 126 N -0.15 0.57 0.00 0.56 0.13 -1.99 -3.41 132.00 127.71 1jvr h PRO 126 Ca -0.45 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.12 1jvr h PRO 126 Cb 1.21 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1jvr h PRO 126 CO 0.57 1.18 0.00 0.98 -0.23 0.00 0.00 178.00 180.50 1jvr n TYR 127 N -4.08 0.00 0.00 1.56 9.36 -1.26 -4.93 117.16 117.81 1jvr n TYR 127 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1jvr n TYR 127 Cb 0.73 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.44 1jvr n TYR 127 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1jvr n VAL 128 N 0.00 0.00 -3.15 2.97 0.31 -1.26 -3.66 118.33 113.54 1jvr n VAL 128 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1jvr n VAL 128 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1jvr n VAL 128 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1jvr s GLU 129 N 0.00 0.86 0.42 5.55 0.41 -1.26 -4.98 118.70 119.71 1jvr s GLU 129 Ca 0.00 -1.08 0.28 0.00 -0.41 0.00 0.00 54.97 53.76 1jvr s GLU 129 Cb 0.00 -0.50 0.88 0.00 -1.78 0.00 0.00 34.13 32.73 1jvr s GLU 129 CO 0.00 -1.28 1.79 -1.00 -0.49 0.00 0.00 175.26 174.28 1jvr h PRO 130 N 6.11 0.00 0.00 0.39 0.13 -1.81 -3.38 132.00 133.44 1jvr h PRO 130 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1jvr h PRO 130 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1jvr h PRO 130 CO 0.15 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.33 1jvr n THR 131 N -2.86 0.00 -1.06 1.56 -1.04 -1.26 -4.81 114.28 104.81 1jvr n THR 131 Ca 0.03 0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 62.01 1jvr n THR 131 Cb 0.39 -0.91 0.22 0.00 -1.82 0.00 0.00 70.33 68.22 1jvr n THR 131 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1jvr s THR 132 N 0.00 1.73 0.02 12.58 -1.32 -1.26 -4.52 115.64 122.87 1jvr s THR 132 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1jvr s THR 132 Cb 0.00 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.53 1jvr s THR 132 CO 0.00 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.76 1jvr n THR 133 N -4.62 0.00 0.00 5.08 -2.24 0.48 -4.58 114.28 108.40 1jvr n THR 133 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1jvr n THR 133 Cb 0.59 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1jvr n THR 133 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1jvr n GLN 134 N -0.78 0.00 0.02 -0.78 -0.06 -1.26 -3.00 117.38 111.52 1jvr n GLN 134 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1jvr n GLN 134 Cb 0.03 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.21 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86