#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 -0.90 -2.32 1.57 2.00 -1.26 -4.96 117.12 111.26 1jvr n MET 1 Ca 0.00 0.38 -0.25 0.00 0.00 0.00 0.00 57.70 57.83 1jvr n MET 1 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 33.22 29.82 1jvr n MET 1 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jvr s GLY 2 N -3.43 1.74 0.23 3.03 0.00 -1.26 -5.12 107.32 102.50 1jvr s GLY 2 Ca 0.44 -1.19 -0.05 0.00 0.00 0.00 0.00 44.72 43.91 1jvr s GLY 2 CO 0.90 -0.73 0.27 1.20 0.00 0.00 0.00 173.10 174.74 1jvr s GLN 3 N -5.23 1.37 -0.25 2.90 -0.21 -1.26 -5.17 119.66 111.80 1jvr s GLN 3 Ca 0.63 -1.51 -0.28 0.00 0.02 0.00 0.00 55.36 54.22 1jvr s GLN 3 Cb -0.09 0.35 0.16 0.00 1.00 0.00 0.00 33.01 34.43 1jvr s GLN 3 CO 0.45 -0.50 1.22 -1.50 -2.12 0.00 0.00 175.29 172.83 1jvr s ILE 4 N -4.05 0.00 0.25 1.08 1.10 -1.26 -5.15 121.20 113.17 1jvr s ILE 4 Ca 0.33 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.47 1jvr s ILE 4 Cb 0.04 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.65 1jvr s ILE 4 CO 0.12 0.00 0.00 1.41 -2.11 0.00 0.00 174.94 174.36 1jvr n HIS 5 N 1.15 -2.38 0.00 3.50 8.25 -1.26 -5.01 115.22 119.47 1jvr n HIS 5 Ca -0.08 1.21 0.00 0.00 -0.26 0.00 0.00 57.72 58.59 1jvr n HIS 5 Cb 0.58 -2.16 0.00 0.00 1.12 0.00 0.00 29.99 29.53 1jvr n HIS 5 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jvr n GLY 6 N -3.12 -1.35 1.16 -1.41 0.00 -1.26 -5.08 105.19 94.13 1jvr n GLY 6 Ca -0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.86 -1.39 -3.55 0.99 4.77 -1.26 -5.07 117.00 109.61 1jvr n LEU 7 Ca 0.00 0.43 -0.29 0.00 -0.03 0.00 0.00 56.01 56.12 1jvr n LEU 7 Cb 0.00 1.53 -0.13 0.00 -2.33 0.00 0.00 43.42 42.49 1jvr n LEU 7 CO 0.00 -0.01 -0.31 -0.44 -1.33 0.00 0.00 177.39 175.30 1jvr s SER 8 N -1.58 3.34 -1.10 -1.43 0.01 -1.26 -5.02 113.70 106.67 1jvr s SER 8 Ca 0.00 -1.99 -0.07 0.00 1.31 0.00 0.00 55.95 55.20 1jvr s SER 8 Cb 0.00 -0.55 -0.08 0.00 0.21 0.00 0.00 66.02 65.60 1jvr s SER 8 CO 0.00 -0.35 2.52 -0.81 0.41 0.00 0.00 173.24 175.02 1jvr n PRO 9 N 4.33 2.66 -2.72 12.44 -0.04 -1.26 -4.56 135.00 145.85 1jvr n PRO 9 Ca 0.06 -1.67 -0.03 0.00 -0.04 0.00 0.00 63.50 61.81 1jvr n PRO 9 Cb 0.38 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1jvr n PRO 9 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jvr n THR 10 N 3.79-11.39 -2.31 0.52 -1.04 -1.26 -4.82 114.28 97.77 1jvr n THR 10 Ca 0.57 1.44 -0.35 0.00 -2.04 0.00 0.00 64.05 63.67 1jvr n THR 10 Cb 0.23 -6.99 -0.04 0.00 -1.82 0.00 0.00 70.33 61.71 1jvr n THR 10 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 11 N -1.95 3.07 0.49 -2.82 0.04 -1.26 -4.96 135.00 127.60 1jvr s PRO 11 Ca 0.09 -0.62 -0.20 0.00 0.04 0.00 0.00 61.00 60.31 1jvr s PRO 11 Cb -0.03 -5.12 -0.11 0.00 0.04 0.00 0.00 34.50 29.29 1jvr s PRO 11 CO 0.75 -2.75 0.56 1.51 0.04 0.00 0.00 177.00 177.12 1jvr n ILE 12 N 7.31 2.01 -1.45 0.56 3.06 -1.26 -4.96 119.36 124.63 1jvr n ILE 12 Ca 0.34 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.81 1jvr n ILE 12 Cb 0.49 -0.65 0.22 0.00 0.54 0.00 0.00 39.64 40.24 1jvr n ILE 12 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1jvr n PRO 13 N 0.28 -2.14 -2.68 9.51 -0.04 -1.26 -5.06 135.00 133.61 1jvr n PRO 13 Ca 0.11 -1.81 -0.04 0.00 -0.04 0.00 0.00 63.50 61.71 1jvr n PRO 13 Cb 0.43 -1.43 0.10 0.00 -0.04 0.00 0.00 33.50 32.57 1jvr n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jvr n LYS 14 N -4.19 0.32 -1.46 0.54 0.00 -1.26 -5.09 118.16 107.02 1jvr n LYS 14 Ca 0.15 -0.95 -0.40 0.00 -0.00 0.00 0.00 58.31 57.11 1jvr n LYS 14 Cb 0.56 -0.35 -0.15 0.00 -0.00 0.00 0.00 35.03 35.09 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jvr n ALA 15 N 0.62 0.29 0.08 0.58 0.00 -1.26 -4.76 120.51 116.05 1jvr n ALA 15 Ca -0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 1jvr n ALA 15 Cb 0.74 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.95 1jvr n ALA 15 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jvr h PRO 16 N 11.65 -0.28 -4.68 0.00 0.13 -1.99 -3.50 132.00 133.33 1jvr h PRO 16 Ca -0.05 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1jvr h PRO 16 Cb 1.27 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1jvr h PRO 16 CO 1.35 -0.09 -0.69 -2.13 -0.23 0.00 0.00 178.00 176.21 1jvr n ARG 17 N -4.97 -2.55 0.00 0.86 0.63 -1.26 -4.96 116.66 104.41 1jvr n ARG 17 Ca -0.05 2.18 0.00 0.00 -0.92 0.00 0.00 57.85 59.07 1jvr n ARG 17 Cb 0.16 -4.50 0.00 0.00 0.45 0.00 0.00 32.46 28.58 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 0.36 -2.03 3.16 5.14 0.00 -1.26 -5.03 105.19 105.53 1jvr n GLY 18 Ca 0.02 0.67 -0.41 0.00 0.00 0.00 0.00 46.02 46.30 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 5.48 0.00 0.99 0.00 -1.26 -2.53 117.00 119.68 1jvr n LEU 19 Ca 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 56.01 52.19 1jvr n LEU 19 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 43.42 41.79 1jvr n LEU 19 CO 0.00 0.31 0.00 -1.20 0.00 0.00 0.00 177.39 176.50 1jvr n SER 20 N 7.87 0.00 -0.22 1.96 7.64 -1.26 -4.94 113.62 124.67 1jvr n SER 20 Ca 0.50 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.41 1jvr n SER 20 Cb 0.42 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.66 1jvr n SER 20 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jvr n THR 21 N -0.99 0.67 -0.01 0.44 -1.04 -1.26 -4.45 114.28 107.64 1jvr n THR 21 Ca 0.00 -0.78 -0.02 0.00 -2.04 0.00 0.00 64.05 61.20 1jvr n THR 21 Cb 0.00 0.37 -0.01 0.00 -1.82 0.00 0.00 70.33 68.88 1jvr n THR 21 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1jvr n HIS 22 N -0.48 0.00 0.14 -1.42 8.25 -1.23 -4.26 115.22 116.22 1jvr n HIS 22 Ca 0.05 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.57 1jvr n HIS 22 Cb 0.59 -0.13 0.05 0.00 1.12 0.00 0.00 29.99 31.62 1jvr n HIS 22 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1jvr h HIS 23 N -0.25 0.00 -0.18 4.41 -0.00 -1.82 -3.26 115.15 114.04 1jvr h HIS 23 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 1jvr h HIS 23 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1jvr h HIS 23 CO -0.11 0.30 -0.40 2.35 -0.00 0.00 0.00 177.93 180.07 1jvr h TRP 24 N 0.00 0.75 -0.80 2.45 2.91 -1.78 -2.78 115.95 116.70 1jvr h TRP 24 Ca -0.03 -0.28 0.22 0.00 1.13 0.00 0.00 58.89 59.94 1jvr h TRP 24 Cb 1.25 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.73 1jvr h TRP 24 CO 0.00 1.04 0.57 1.25 -1.03 0.00 0.00 178.44 180.27 1jvr h LEU 25 N 0.25 0.05 -1.43 0.65 5.85 -1.74 1.66 115.31 120.60 1jvr h LEU 25 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1jvr h LEU 25 Cb 1.01 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1jvr h LEU 25 CO 0.09 0.02 -0.23 -1.13 -0.34 0.00 0.00 178.44 176.85 1jvr h ASN 26 N 0.05 0.00 0.29 1.25 -0.73 -1.58 0.13 115.58 114.99 1jvr h ASN 26 Ca 0.39 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.23 1jvr h ASN 26 Cb 1.46 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 40.01 1jvr h ASN 26 CO -0.03 0.23 -1.91 0.33 -0.37 0.00 0.00 177.43 175.69 1jvr n PHE 27 N -3.63 0.96 0.55 0.67 -0.00 0.53 -3.44 117.46 113.11 1jvr n PHE 27 Ca -0.01 0.28 0.13 0.00 -0.00 0.00 0.00 57.45 57.85 1jvr n PHE 27 Cb 0.36 -1.15 0.43 0.00 -0.00 0.00 0.00 39.48 39.12 1jvr n PHE 27 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1jvr n LEU 28 N -3.19 0.80 -0.04 -2.13 7.94 0.10 -2.60 117.00 117.88 1jvr n LEU 28 Ca -0.25 0.61 -0.00 0.00 -1.11 0.00 0.00 56.01 55.25 1jvr n LEU 28 Cb 1.06 -0.39 -0.00 0.00 0.53 0.00 0.00 43.42 44.62 1jvr n LEU 28 CO 0.43 -0.30 -0.02 1.56 -1.11 0.00 0.00 177.39 177.95 1jvr h GLN 29 N 0.00 0.00 -0.58 1.96 4.20 -0.87 -2.56 115.11 117.27 1jvr h GLN 29 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1jvr h GLN 29 Cb 0.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1jvr h GLN 29 CO 0.00 0.00 0.50 0.00 -0.67 0.00 0.00 178.83 178.66 1jvr h ALA 30 N -1.32 2.40 0.00 3.87 0.00 -1.65 1.56 119.26 124.13 1jvr h ALA 30 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1jvr h ALA 30 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jvr h ALA 30 CO 0.00 -0.80 -0.59 0.00 0.00 0.00 0.00 179.25 177.86 1jvr h ALA 31 N 1.54 0.69 -0.00 0.00 0.00 -1.60 -2.92 119.26 116.97 1jvr h ALA 31 Ca 0.27 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jvr h ALA 31 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jvr h ALA 31 CO -0.00 0.73 -0.19 0.98 0.00 0.00 0.00 179.25 180.77 1jvr n TYR 32 N -3.36 0.00 0.96 0.00 9.36 0.52 -3.24 117.16 121.40 1jvr n TYR 32 Ca 0.01 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.33 1jvr n TYR 32 Cb 0.72 -0.25 -0.11 0.00 -0.63 0.00 0.00 39.34 39.07 1jvr n TYR 32 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1jvr n ARG 33 N -1.15 0.03 0.00 2.98 3.00 -0.30 -4.82 116.66 116.39 1jvr n ARG 33 Ca 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1jvr n ARG 33 Cb 0.31 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.27 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 -1.53 0.00 -4.62 6.15 4.77 -1.15 -5.07 117.00 115.55 1jvr n LEU 34 Ca 0.04 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.76 1jvr n LEU 34 Cb 0.34 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1jvr n LEU 34 CO 0.43 0.00 -0.36 -1.10 -1.33 0.00 0.00 177.39 175.03 1jvr s GLN 35 N 0.77 2.25 0.27 3.23 -0.21 -1.26 -5.11 119.66 119.61 1jvr s GLN 35 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 55.36 53.88 1jvr s GLN 35 Cb 0.00 -2.26 -0.09 0.00 1.00 0.00 0.00 33.01 31.66 1jvr s GLN 35 CO 0.00 0.44 1.08 -1.25 -2.12 0.00 0.00 175.29 173.44 1jvr s PRO 36 N -2.97 4.67 -0.82 2.91 0.04 -1.26 -4.80 135.00 132.76 1jvr s PRO 36 Ca 0.27 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.86 1jvr s PRO 36 Cb -0.09 -3.20 -0.21 0.00 0.04 0.00 0.00 34.50 31.04 1jvr s PRO 36 CO 0.17 0.25 2.11 0.41 0.04 0.00 0.00 177.00 179.98 1jvr n GLY 37 N 1.25 -0.41 2.82 0.56 0.00 -1.26 -4.69 105.19 103.46 1jvr n GLY 37 Ca -0.01 0.71 -0.40 0.00 0.00 0.00 0.00 46.02 46.32 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 6.39 2.29 -3.22 1.61 -0.04 -1.26 -4.36 135.00 136.40 1jvr n PRO 38 Ca 0.55 -2.11 -0.07 0.00 -0.04 0.00 0.00 63.50 61.82 1jvr n PRO 38 Cb 0.05 -2.99 0.01 0.00 -0.04 0.00 0.00 33.50 30.53 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 6.19 -7.10 0.00 3.54 7.64 -1.26 -4.62 113.62 118.01 1jvr n SER 39 Ca 0.53 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1jvr n SER 39 Cb 0.35 -4.71 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 1jvr n SER 39 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jvr n ASP 40 N -2.16 0.00 0.00 6.43 10.43 -1.26 -4.90 116.55 125.10 1jvr n ASP 40 Ca -0.06 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.30 1jvr n ASP 40 Cb 0.55 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.51 1jvr n ASP 40 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1jvr n PHE 41 N 0.00 0.00 -1.65 1.24 3.72 -1.26 -3.38 117.46 116.13 1jvr n PHE 41 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1jvr n PHE 41 Cb 0.00 -0.37 -0.05 0.00 -0.94 0.00 0.00 39.48 38.12 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1jvr n ASP 42 N 0.00 -3.81 0.05 4.37 5.68 -1.26 -4.75 116.55 116.83 1jvr n ASP 42 Ca 0.00 0.30 0.13 0.00 -0.50 0.00 0.00 54.79 54.72 1jvr n ASP 42 Cb 0.00 -3.45 0.37 0.00 -1.14 0.00 0.00 41.12 36.89 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 -2.30 0.48 0.16 2.11 3.01 -1.22 -3.81 117.46 115.90 1jvr n PHE 43 Ca -0.15 0.14 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1jvr n PHE 43 Cb 0.50 -0.66 -0.07 0.00 -0.01 0.00 0.00 39.48 39.24 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 -0.45 0.00 -1.08 5.75 -1.86 0.19 115.11 117.66 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 0.65 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.30 1jvr h GLN 44 CO 0.00 -0.14 0.07 1.96 -2.65 0.00 0.00 178.83 178.07 1jvr h GLN 45 N -0.95 0.00 0.00 1.69 1.08 -1.91 -0.69 115.11 114.33 1jvr h GLN 45 Ca -0.05 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1jvr h GLN 45 Cb 0.52 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1jvr h GLN 45 CO 0.08 0.00 -0.37 1.25 -0.95 0.00 0.00 178.83 178.83 1jvr h LEU 46 N 0.00 0.00 -1.95 1.46 6.46 -1.62 -3.18 115.31 116.48 1jvr h LEU 46 Ca 0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1jvr h LEU 46 Cb 0.14 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1jvr h LEU 46 CO 0.00 0.76 0.35 -0.09 -0.62 0.00 0.00 178.44 178.84 1jvr h ARG 47 N -1.00 0.00 0.03 1.25 9.65 -0.07 0.90 114.38 125.14 1jvr h ARG 47 Ca -0.04 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.61 1jvr h ARG 47 Cb 0.44 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 1jvr h ARG 47 CO -0.02 0.00 -1.15 -0.09 2.80 0.00 0.00 179.97 181.51 1jvr h ARG 48 N 0.00 0.07 0.10 0.20 9.65 -1.25 -2.47 114.38 120.67 1jvr h ARG 48 Ca 0.01 -0.12 -0.27 0.00 -1.10 0.00 0.00 59.98 58.50 1jvr h ARG 48 Cb 0.71 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 1jvr h ARG 48 CO -0.00 1.00 -1.24 0.35 2.80 0.00 0.00 179.97 182.88 1jvr h PHE 49 N 0.02 0.38 -0.02 2.20 3.57 0.75 -3.12 116.94 120.72 1jvr h PHE 49 Ca -0.08 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 1jvr h PHE 49 Cb 1.85 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.58 1jvr h PHE 49 CO 0.02 1.23 -0.02 -0.07 -2.23 0.00 0.00 178.31 177.23 1jvr h LEU 50 N 0.06 0.05 -2.17 0.59 3.38 -1.07 -2.46 115.31 113.69 1jvr h LEU 50 Ca -0.13 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.39 1jvr h LEU 50 Cb 1.94 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1jvr h LEU 50 CO 0.18 0.56 0.27 0.50 0.09 0.00 0.00 178.44 180.04 1jvr h LYS 51 N -0.45 0.00 0.40 1.13 1.63 -1.55 0.13 116.57 117.84 1jvr h LYS 51 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1jvr h LYS 51 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1jvr h LYS 51 CO 0.01 0.00 -0.19 1.25 -3.45 0.00 0.00 179.45 177.07 1jvr h LEU 52 N 0.00 -0.45 -2.04 5.20 6.46 -1.42 -3.13 115.31 119.93 1jvr h LEU 52 Ca 0.11 -0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.95 1jvr h LEU 52 Cb 0.65 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 1jvr h LEU 52 CO -0.00 -0.01 0.29 0.00 -0.62 0.00 0.00 178.44 178.10 1jvr h ALA 53 N -1.03 2.27 0.00 1.25 0.00 -0.83 0.86 119.26 121.78 1jvr h ALA 53 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jvr h ALA 53 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jvr h ALA 53 CO 0.09 -0.49 0.00 -0.11 0.00 0.00 0.00 179.25 178.74 1jvr n LEU 54 N -4.25 0.36 0.00 0.00 7.94 0.35 -0.64 117.00 120.75 1jvr n LEU 54 Ca 0.06 0.63 0.10 0.00 -1.11 0.00 0.00 56.01 55.70 1jvr n LEU 54 Cb 0.48 -0.64 0.55 0.00 0.53 0.00 0.00 43.42 44.34 1jvr n LEU 54 CO 0.34 -0.64 0.82 0.29 -1.11 0.00 0.00 177.39 177.09 1jvr n LYS 55 N -1.94 0.40 -3.33 1.96 5.02 0.30 -4.23 118.16 116.34 1jvr n LYS 55 Ca 0.00 0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1jvr n LYS 55 Cb 0.09 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jvr s THR 56 N -2.41 -0.53 -1.13 -0.18 -1.32 0.19 -5.05 115.64 105.22 1jvr s THR 56 Ca 0.23 -0.55 -0.15 0.00 -1.21 0.00 0.00 61.69 60.00 1jvr s THR 56 Cb 0.14 -0.75 -0.07 0.00 -1.51 0.00 0.00 72.50 70.31 1jvr s THR 56 CO 0.29 -0.39 2.19 -0.81 -2.21 0.00 0.00 174.62 173.69 1jvr n PRO 57 N 4.81 2.31 -0.00 7.08 -0.04 -1.26 -3.92 135.00 143.99 1jvr n PRO 57 Ca 0.06 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1jvr n PRO 57 Cb 0.48 -2.94 -0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 5.10 0.00 0.02 0.52 0.13 -1.26 -4.48 119.36 119.39 1jvr n ILE 58 Ca 0.53 -0.00 0.05 0.00 -1.10 0.00 0.00 62.75 62.23 1jvr n ILE 58 Cb 0.33 0.25 -0.10 0.00 -0.84 0.00 0.00 39.64 39.28 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 -1.59 0.50 0.18 9.51 4.27 -1.25 -3.98 117.44 125.08 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 0.09 -0.85 -0.07 0.00 -1.36 0.00 0.00 31.31 29.12 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 -0.41 -0.46 5.67 4.07 -1.84 1.35 115.31 123.70 1jvr h LEU 60 Ca -0.13 -0.15 0.05 0.00 0.08 0.00 0.00 57.88 57.73 1jvr h LEU 60 Cb 1.35 0.11 -0.08 0.00 1.08 0.00 0.00 40.66 43.11 1jvr h LEU 60 CO 0.02 -0.01 -0.54 0.78 -1.08 0.00 0.00 178.44 177.61 1jvr h ASN 61 N -0.88 -1.83 0.85 -0.43 4.21 -1.78 0.54 115.58 116.25 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 -0.37 0.00 -0.81 -1.29 0.00 0.00 177.43 175.04 1jvr n PRO 62 N -5.25 0.06 -2.99 0.81 -0.04 -1.23 -4.96 135.00 121.40 1jvr n PRO 62 Ca -0.03 0.18 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1jvr n PRO 62 Cb 0.32 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.71 -2.15 -3.66 0.52 0.13 0.46 -4.98 119.36 107.96 1jvr n ILE 63 Ca 0.05 0.36 -0.09 0.00 -1.10 0.00 0.00 62.75 61.97 1jvr n ILE 63 Cb 0.28 -2.79 -0.10 0.00 -0.84 0.00 0.00 39.64 36.19 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 -0.99 -0.28 0.00 9.51 3.68 -0.97 -5.00 116.67 122.62 1jvr s ASP 64 Ca 0.08 0.97 0.15 0.00 2.13 0.00 0.00 52.55 55.88 1jvr s ASP 64 Cb -0.01 1.23 0.87 0.00 -1.45 0.00 0.00 42.92 43.57 1jvr s ASP 64 CO 0.17 -0.23 1.38 0.00 0.13 0.00 0.00 175.17 176.62 1jvr n TYR 65 N 5.20 0.00 0.05 -5.34 4.19 -1.26 -2.39 117.16 117.60 1jvr n TYR 65 Ca -0.11 0.00 -0.21 0.00 3.31 0.00 0.00 57.90 60.90 1jvr n TYR 65 Cb 0.50 -0.11 -0.11 0.00 0.49 0.00 0.00 39.34 40.11 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 0.91 1.30 2.98 4.64 -1.98 -2.68 113.55 118.73 1jvr h SER 66 Ca 0.00 -0.75 -0.03 0.00 -0.47 0.00 0.00 61.79 60.54 1jvr h SER 66 Cb 0.05 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1jvr h SER 66 CO 0.00 1.54 -0.13 0.25 -0.87 0.00 0.00 176.83 177.62 1jvr h LEU 67 N 0.37 0.00 0.41 5.97 6.46 -1.87 -2.94 115.31 123.70 1jvr h LEU 67 Ca -0.14 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1jvr h LEU 67 Cb 1.72 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.66 1jvr h LEU 67 CO 0.21 0.13 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.90 1jvr h LEU 68 N 0.00 -0.46 -1.92 2.25 3.38 -1.57 -2.64 115.31 114.33 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 0.82 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1jvr h LEU 68 CO 0.02 -0.13 0.37 0.00 0.09 0.00 0.00 178.44 178.79 1jvr h ALA 69 N -1.35 1.47 -0.00 1.53 0.00 -1.53 1.23 119.26 120.61 1jvr h ALA 69 Ca -0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1jvr h ALA 69 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1jvr h ALA 69 CO 0.09 -0.40 -0.75 1.03 0.00 0.00 0.00 179.25 179.22 1jvr h SER 70 N 0.00 0.02 0.43 0.00 0.87 -1.34 -3.26 113.55 110.27 1jvr h SER 70 Ca 0.03 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1jvr h SER 70 Cb 0.77 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1jvr h SER 70 CO -0.00 0.76 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.79 1jvr h LEU 71 N 0.01 -0.49 -8.05 2.23 4.07 0.19 -3.41 115.31 109.86 1jvr h LEU 71 Ca -0.01 -0.08 -0.52 0.00 0.08 0.00 0.00 57.88 57.35 1jvr h LEU 71 Cb 1.33 0.13 -0.08 0.00 1.08 0.00 0.00 40.66 43.12 1jvr h LEU 71 CO 0.10 -0.19 1.72 -0.38 -1.08 0.00 0.00 178.44 178.61 1jvr n ILE 72 N -5.25 -0.00 -0.77 1.22 5.41 -1.16 -4.68 119.36 114.12 1jvr n ILE 72 Ca -0.11 -0.06 -0.10 0.00 1.00 0.00 0.00 62.75 63.48 1jvr n ILE 72 Cb 0.29 -0.68 -0.12 0.00 -0.71 0.00 0.00 39.64 38.42 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 8.47 1.60 -3.80 0.38 -0.04 -1.26 -4.63 135.00 135.70 1jvr n PRO 73 Ca 0.63 -0.82 -0.27 0.00 -0.04 0.00 0.00 63.50 62.99 1jvr n PRO 73 Cb 0.06 -1.93 -0.07 0.00 -0.04 0.00 0.00 33.50 31.53 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 2.71 -0.87 0.00 0.54 4.81 -1.26 -4.67 118.16 119.42 1jvr n LYS 74 Ca 0.34 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1jvr n LYS 74 Cb 0.66 -3.08 0.00 0.00 0.02 0.00 0.00 35.03 32.63 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 -1.54 -0.20 3.63 3.14 0.00 -1.26 -5.04 105.19 103.91 1jvr n GLY 75 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1jvr n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jvr s TYR 76 N -0.12 3.27 1.10 1.61 2.02 -1.26 -5.09 117.35 118.87 1jvr s TYR 76 Ca 0.00 0.16 -0.19 0.00 -0.37 0.00 0.00 57.07 56.68 1jvr s TYR 76 Cb 0.00 -2.31 0.26 0.00 -0.40 0.00 0.00 41.96 39.51 1jvr s TYR 76 CO 0.00 -0.03 1.21 -0.35 -1.57 0.00 0.00 175.55 174.81 1jvr n PRO 77 N 4.60 -2.18 -0.73 -1.71 -0.04 -1.26 -4.51 135.00 129.16 1jvr n PRO 77 Ca -0.15 -1.90 -0.26 0.00 -0.04 0.00 0.00 63.50 61.15 1jvr n PRO 77 Cb 0.52 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.59 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 -4.18 -2.44 2.76 0.55 0.00 -1.26 -3.32 105.19 97.31 1jvr n GLY 78 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.12 0.00 0.00 1.61 5.12 -1.26 -4.68 116.66 117.33 1jvr n ARG 79 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1jvr n ARG 79 Cb 0.50 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1jvr n VAL 80 N -2.00 0.00 -0.24 1.55 0.31 -1.21 -4.57 118.33 112.16 1jvr n VAL 80 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1jvr n VAL 80 Cb 0.00 -0.12 0.18 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 1.22 0.00 2.52 2.07 -1.79 0.64 116.25 120.91 1jvr h VAL 81 Ca 0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jvr h VAL 81 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1jvr h VAL 81 CO 0.00 0.24 0.09 -0.33 0.02 0.00 0.00 177.57 177.59 1jvr h GLU 82 N 1.07 0.00 0.00 1.57 4.39 -1.88 2.22 114.58 121.95 1jvr h GLU 82 Ca 0.27 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.59 1jvr h GLU 82 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 1jvr h GLU 82 CO -0.05 0.00 -2.46 -0.89 -1.16 0.00 0.00 179.01 174.45 1jvr n ILE 83 N -2.30 1.47 0.03 3.13 5.41 0.10 -4.24 119.36 122.94 1jvr n ILE 83 Ca -0.01 -0.63 -0.20 0.00 1.00 0.00 0.00 62.75 62.91 1jvr n ILE 83 Cb 0.12 -1.22 -0.10 0.00 -0.71 0.00 0.00 39.64 37.73 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 1.29 -0.45 1.39 2.04 0.26 -3.00 117.51 119.03 1jvr h ILE 84 Ca -0.57 -2.18 0.13 0.00 1.00 0.00 0.00 64.86 63.23 1jvr h ILE 84 Cb 1.97 2.33 -0.02 0.00 -0.74 0.00 0.00 36.82 40.36 1jvr h ILE 84 CO -0.07 0.68 0.46 -0.55 0.00 0.00 0.00 178.15 178.67 1jvr h ASN 85 N 0.39 0.00 0.08 1.72 -1.07 0.34 0.96 115.58 117.99 1jvr h ASN 85 Ca -0.11 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.11 1jvr h ASN 85 Cb 1.62 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.87 1jvr h ASN 85 CO 0.19 0.00 -0.52 0.40 0.07 0.00 0.00 177.43 177.57 1jvr h ILE 86 N 0.00 1.33 -0.22 6.14 2.04 -1.70 0.10 117.51 125.20 1jvr h ILE 86 Ca 0.21 -1.77 -0.13 0.00 1.00 0.00 0.00 64.86 64.18 1jvr h ILE 86 Cb 1.14 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1jvr h ILE 86 CO -0.00 0.55 -0.36 -0.07 0.00 0.00 0.00 178.15 178.26 1jvr h LEU 87 N 0.38 0.70 0.04 1.44 3.38 0.83 0.16 115.31 122.24 1jvr h LEU 87 Ca 0.01 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1jvr h LEU 87 Cb 1.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1jvr h LEU 87 CO 0.10 1.09 -0.02 0.58 0.09 0.00 0.00 178.44 180.28 1jvr h VAL 88 N 0.33 1.12 0.00 1.22 2.07 -1.12 -1.82 116.25 118.05 1jvr h VAL 88 Ca 0.02 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1jvr h VAL 88 Cb 0.96 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1jvr h VAL 88 CO 0.08 0.13 0.00 0.50 0.02 0.00 0.00 177.57 178.30 1jvr h LYS 89 N -0.28 0.00 -0.48 1.57 3.64 -0.81 0.12 116.57 120.33 1jvr h LYS 89 Ca -0.01 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1jvr h LYS 89 Cb 0.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1jvr h LYS 89 CO 0.01 0.00 0.34 -0.97 -2.27 0.00 0.00 179.45 176.56 1jvr h ASN 90 N 0.00 0.08 0.00 4.20 -1.24 -0.05 0.15 115.58 118.72 1jvr h ASN 90 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 1jvr h ASN 90 Cb 0.23 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1jvr h ASN 90 CO 0.00 0.04 -1.25 0.00 -1.29 0.00 0.00 177.43 174.93 1jvr n GLN 91 N -4.42 0.11 0.22 6.67 10.64 -0.72 -4.56 117.38 125.32 1jvr n GLN 91 Ca 0.08 0.03 0.15 0.00 -1.83 0.00 0.00 57.00 55.43 1jvr n GLN 91 Cb 0.50 -1.00 0.79 0.00 -0.86 0.00 0.00 30.24 29.67 1jvr n GLN 91 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1jvr h VAL 92 N -0.04 0.00 -4.11 -0.39 2.07 -0.80 -3.43 116.25 109.56 1jvr h VAL 92 Ca -0.10 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.87 1jvr h VAL 92 Cb 1.14 0.64 0.14 0.00 -1.52 0.00 0.00 31.29 31.69 1jvr h VAL 92 CO -0.03 0.00 0.49 -0.55 0.02 0.00 0.00 177.57 177.51 1jvr s SER 93 N -4.37 4.83 0.24 0.57 0.15 0.51 -4.96 113.70 110.68 1jvr s SER 93 Ca -0.03 2.52 -0.30 0.00 0.70 0.00 0.00 55.95 58.84 1jvr s SER 93 Cb 0.08 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.70 1jvr s SER 93 CO 0.26 -1.84 1.09 -2.16 1.20 0.00 0.00 173.24 171.79 1jvr s PRO 94 N -3.38 4.64 -0.08 5.44 0.04 -1.26 -4.41 135.00 135.99 1jvr s PRO 94 Ca 0.80 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 1jvr s PRO 94 Cb -0.34 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 30.98 1jvr s PRO 94 CO 0.37 0.18 0.05 0.45 0.04 0.00 0.00 177.00 178.08 1jvr n SER 95 N 1.66 -6.07 -4.37 6.66 2.88 -1.26 -5.02 113.62 108.11 1jvr n SER 95 Ca 0.00 0.93 -0.20 0.00 -1.33 0.00 0.00 58.87 58.27 1jvr n SER 95 Cb 0.45 -2.82 -0.10 0.00 -0.75 0.00 0.00 64.21 60.99 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jvr s ALA 96 N -0.70 2.16 -0.94 -1.46 0.00 -1.26 -5.03 121.76 114.54 1jvr s ALA 96 Ca -0.05 -1.68 -0.07 0.00 0.00 0.00 0.00 51.96 50.16 1jvr s ALA 96 Cb 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.89 1jvr s ALA 96 CO 0.27 0.14 2.56 -0.35 0.00 0.00 0.00 175.76 178.38 1jvr n PRO 97 N -0.32 2.48 -2.72 0.00 -0.04 -1.26 -4.66 135.00 128.48 1jvr n PRO 97 Ca -0.08 -1.54 -0.42 0.00 -0.04 0.00 0.00 63.50 61.43 1jvr n PRO 97 Cb 0.60 -2.43 0.02 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.63 5.84 -2.67 0.55 0.00 -1.26 -4.62 120.51 121.98 1jvr n ALA 98 Ca 0.53 -4.65 -0.03 0.00 0.00 0.00 0.00 53.44 49.28 1jvr n ALA 98 Cb 0.29 -2.26 0.04 0.00 0.00 0.00 0.00 19.45 17.53 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 0.42 -3.81 -1.74 0.00 0.00 -1.26 -5.16 120.51 108.95 1jvr n ALA 99 Ca 0.41 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 1jvr n ALA 99 Cb 0.28 -3.35 -0.01 0.00 0.00 0.00 0.00 19.45 16.37 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 0.80 3.59 0.43 0.00 0.04 -1.26 -4.81 135.00 133.79 1jvr s PRO 100 Ca 0.24 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1jvr s PRO 100 Cb 0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1jvr s PRO 100 CO -0.10 -0.60 0.00 0.28 0.04 0.00 0.00 177.00 176.62 1jvr n VAL 101 N -1.50 -4.96 -1.89 -0.36 0.31 -1.26 -4.53 118.33 104.14 1jvr n VAL 101 Ca 0.09 2.20 -0.39 0.00 -0.01 0.00 0.00 64.34 66.23 1jvr n VAL 101 Cb 0.53 -3.03 -0.03 0.00 -0.91 0.00 0.00 33.84 30.40 1jvr n VAL 101 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1jvr n PRO 102 N -0.49 2.29 -2.38 5.55 -0.04 -1.26 -4.35 135.00 134.32 1jvr n PRO 102 Ca 0.00 -2.55 -0.02 0.00 -0.04 0.00 0.00 63.50 60.89 1jvr n PRO 102 Cb 0.00 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.10 1jvr n PRO 102 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jvr n THR 103 N 6.33 -8.86 1.50 0.52 -1.04 -1.26 -4.86 114.28 106.61 1jvr n THR 103 Ca 0.49 1.09 0.12 0.00 -2.04 0.00 0.00 64.05 63.71 1jvr n THR 103 Cb 0.43 -6.15 0.70 0.00 -1.82 0.00 0.00 70.33 63.49 1jvr n THR 103 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1jvr n PRO 104 N 0.22 0.75 0.00 -2.82 -0.04 -1.26 -4.20 135.00 127.66 1jvr n PRO 104 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1jvr n PRO 104 Cb 0.10 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 -0.99 0.00 -0.01 0.52 2.08 -1.26 -2.86 119.36 116.84 1jvr n ILE 105 Ca 0.18 0.73 -0.10 0.00 0.56 0.00 0.00 62.75 64.12 1jvr n ILE 105 Cb 0.08 -1.35 -0.03 0.00 -0.75 0.00 0.00 39.64 37.59 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jvr s PRO 107 N -6.04 3.10 -1.27 0.00 0.04 -1.14 -4.86 135.00 124.83 1jvr s PRO 107 Ca -0.15 -0.80 -0.05 0.00 0.04 0.00 0.00 61.00 60.04 1jvr s PRO 107 Cb 0.11 -5.23 0.16 0.00 0.04 0.00 0.00 34.50 29.58 1jvr s PRO 107 CO 0.67 -2.82 2.20 2.41 0.04 0.00 0.00 177.00 179.50 1jvr n THR 108 N 7.35 5.24 -0.32 1.26 -1.04 -1.15 -4.44 114.28 121.18 1jvr n THR 108 Ca 0.38 -4.62 -0.31 0.00 -2.04 0.00 0.00 64.05 57.46 1jvr n THR 108 Cb 0.49 -2.05 0.29 0.00 -1.82 0.00 0.00 70.33 67.24 1jvr n THR 108 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1jvr s THR 109 N -1.42 1.13 -0.38 12.58 -4.23 -1.26 -5.04 115.64 117.02 1jvr s THR 109 Ca 0.49 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1jvr s THR 109 Cb 0.17 -2.05 0.26 0.00 1.34 0.00 0.00 72.50 72.22 1jvr s THR 109 CO -0.08 0.00 1.12 1.07 -0.54 0.00 0.00 174.62 176.20 1jvr n THR 110 N -5.74 0.00 -2.37 3.99 5.66 -1.26 -5.12 114.28 109.44 1jvr n THR 110 Ca 0.13 -0.85 -0.43 0.00 -3.05 0.00 0.00 64.05 59.85 1jvr n THR 110 Cb 0.60 1.15 -0.02 0.00 -1.55 0.00 0.00 70.33 70.51 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 0.34 3.80 -0.33 1.09 0.04 -1.26 -4.97 135.00 133.71 1jvr s PRO 111 Ca 0.28 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1jvr s PRO 111 Cb 0.20 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1jvr s PRO 111 CO -0.13 -1.28 1.37 -1.25 0.04 0.00 0.00 177.00 175.75 1jvr s PRO 112 N 4.46 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 137.30 1jvr s PRO 112 Ca 0.59 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1jvr s PRO 112 Cb -0.17 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 112 CO 0.27 -1.28 1.37 -1.25 0.04 0.00 0.00 177.00 176.15 1jvr s PRO 113 N 4.45 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 137.29 1jvr s PRO 113 Ca 0.59 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1jvr s PRO 113 Cb -0.16 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 113 CO 0.27 -1.28 1.37 -1.25 0.04 0.00 0.00 177.00 176.15 1jvr s PRO 114 N 4.46 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 137.30 1jvr s PRO 114 Ca 0.59 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1jvr s PRO 114 Cb -0.17 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 114 CO 0.27 -1.28 1.36 -1.25 0.04 0.00 0.00 177.00 176.14 1jvr s PRO 115 N 4.46 3.80 0.79 0.56 0.04 -1.26 -5.01 135.00 138.39 1jvr s PRO 115 Ca 0.59 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 115 Cb -0.17 -3.94 0.07 0.00 0.04 0.00 0.00 34.50 30.51 1jvr s PRO 115 CO 0.27 -1.27 1.10 -1.25 0.04 0.00 0.00 177.00 175.89 1jvr s PRO 116 N 4.44 2.11 0.06 0.56 0.04 -1.26 -4.99 135.00 135.96 1jvr s PRO 116 Ca 0.59 0.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 1jvr s PRO 116 Cb -0.16 -1.92 -0.21 0.00 0.04 0.00 0.00 34.50 32.24 1jvr s PRO 116 CO 0.26 -1.61 1.20 -1.00 0.04 0.00 0.00 177.00 175.90 1jvr h PRO 117 N -1.08 0.65 -2.62 0.56 0.13 -2.07 -3.50 132.00 124.07 1jvr h PRO 117 Ca -0.47 -0.64 0.26 0.00 -0.87 0.00 0.00 66.00 64.28 1jvr h PRO 117 Cb 1.27 0.17 -0.14 0.00 0.13 0.00 0.00 31.00 32.42 1jvr h PRO 117 CO 0.59 1.24 -0.94 0.43 -0.23 0.00 0.00 178.00 179.09 1jvr n SER 118 N -3.99 -5.89 -0.00 1.44 7.64 -1.26 -4.76 113.62 106.80 1jvr n SER 118 Ca -0.10 1.08 -0.11 0.00 1.01 0.00 0.00 58.87 60.75 1jvr n SER 118 Cb 0.78 -3.70 -0.09 0.00 -1.01 0.00 0.00 64.21 60.19 1jvr n SER 118 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jvr h PRO 119 N -1.06 -0.09 0.00 1.43 0.13 -1.99 -3.44 132.00 126.97 1jvr h PRO 119 Ca -0.15 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 1jvr h PRO 119 Cb 1.03 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.10 1jvr h PRO 119 CO 0.06 0.47 -0.17 -0.85 -0.23 0.00 0.00 178.00 177.28 1jvr n GLU 120 N -4.81 0.13 -0.39 0.86 0.00 -1.26 -4.80 120.64 110.37 1jvr n GLU 120 Ca -0.08 -0.63 -0.09 0.00 0.00 0.00 0.00 57.16 56.37 1jvr n GLU 120 Cb 0.30 0.46 -0.06 0.00 0.00 0.00 0.00 31.44 32.14 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jvr h ALA 121 N 0.10 -0.38 -1.80 -1.84 0.00 -1.88 -0.88 119.26 112.57 1jvr h ALA 121 Ca -0.33 0.15 -0.66 0.00 0.00 0.00 0.00 54.91 54.06 1jvr h ALA 121 Cb 1.07 1.27 -0.37 0.00 0.00 0.00 0.00 17.79 19.76 1jvr h ALA 121 CO -0.17 -0.89 -0.07 -2.39 0.00 0.00 0.00 179.25 175.74 1jvr n HIS 122 N -5.32 3.55 -1.28 0.00 1.44 -1.26 -5.05 115.22 107.30 1jvr n HIS 122 Ca 0.04 -3.36 0.14 0.00 -2.01 0.00 0.00 57.72 52.52 1jvr n HIS 122 Cb 0.30 -0.68 -0.08 0.00 0.12 0.00 0.00 29.99 29.66 1jvr n HIS 122 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1jvr n VAL 123 N -0.25 -0.81 -2.37 0.61 0.24 -0.34 -4.60 118.33 110.81 1jvr n VAL 123 Ca 0.38 0.79 -0.43 0.00 -2.04 0.00 0.00 64.34 63.04 1jvr n VAL 123 Cb 0.38 -1.19 -0.02 0.00 -1.47 0.00 0.00 33.84 31.54 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1jvr s PRO 124 N -4.52 3.80 -0.33 7.34 0.04 -1.26 -4.82 135.00 135.25 1jvr s PRO 124 Ca 0.00 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1jvr s PRO 124 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1jvr s PRO 124 CO 0.00 -1.28 1.37 -1.25 0.04 0.00 0.00 177.00 175.88 1jvr s PRO 125 N 4.46 3.80 0.34 0.56 0.04 -1.26 -5.00 135.00 137.94 1jvr s PRO 125 Ca 0.59 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 1jvr s PRO 125 Cb -0.17 -3.94 -0.09 0.00 0.04 0.00 0.00 34.50 30.34 1jvr s PRO 125 CO 0.27 -1.28 1.07 -1.25 0.04 0.00 0.00 177.00 175.85 1jvr s PRO 126 N 4.46 4.38 0.00 0.56 0.04 -1.26 -4.82 135.00 138.36 1jvr s PRO 126 Ca 0.59 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1jvr s PRO 126 Cb -0.16 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1jvr s PRO 126 CO 0.27 0.02 0.00 2.48 0.04 0.00 0.00 177.00 179.81 1jvr n TYR 127 N 0.51 -0.40 -3.28 0.56 4.11 -1.26 -5.17 117.16 112.23 1jvr n TYR 127 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 1jvr n TYR 127 Cb 0.47 0.08 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 1jvr n TYR 127 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 1jvr n VAL 128 N -1.48 0.00 0.00 -3.48 3.14 -1.26 -5.09 118.33 110.16 1jvr n VAL 128 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1jvr n VAL 128 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1jvr n VAL 128 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1jvr n GLU 129 N 0.00 0.00 0.00 1.45 4.07 -1.26 -5.06 120.64 119.84 1jvr n GLU 129 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1jvr n GLU 129 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1jvr n GLU 129 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1jvr n PRO 130 N 0.00 0.00 -2.88 5.31 -0.04 -1.26 -4.76 135.00 131.37 1jvr n PRO 130 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1jvr n PRO 130 Cb 0.00 -0.17 -0.05 0.00 -0.04 0.00 0.00 33.50 33.25 1jvr n PRO 130 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1jvr s THR 131 N -0.02 4.55 -0.15 0.52 -1.32 -1.26 -4.85 115.64 113.12 1jvr s THR 131 Ca 0.00 0.65 0.19 0.00 -1.21 0.00 0.00 61.69 61.31 1jvr s THR 131 Cb 0.00 -4.38 -0.27 0.00 -1.51 0.00 0.00 72.50 66.34 1jvr s THR 131 CO 0.00 -0.76 0.18 1.07 -2.21 0.00 0.00 174.62 172.90 1jvr n THR 132 N 6.27 0.97 -2.04 5.08 5.66 -1.26 -4.83 114.28 124.14 1jvr n THR 132 Ca 0.05 -0.74 -0.33 0.00 -3.05 0.00 0.00 64.05 59.98 1jvr n THR 132 Cb 0.48 -0.34 -0.04 0.00 -1.55 0.00 0.00 70.33 68.89 1jvr n THR 132 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1jvr s THR 133 N -2.76 3.39 -0.44 1.09 -4.23 -1.26 -4.66 115.64 106.78 1jvr s THR 133 Ca -0.09 -0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1jvr s THR 133 Cb 0.08 -3.96 0.31 0.00 1.34 0.00 0.00 72.50 70.27 1jvr s THR 133 CO 0.83 -0.92 1.14 0.00 -0.54 0.00 0.00 174.62 175.14 1jvr n GLN 134 N 9.04 0.80 0.12 3.99 6.02 -1.26 -4.97 117.38 131.12 1jvr n GLN 134 Ca 0.29 -1.64 0.17 0.00 -0.01 0.00 0.00 57.00 55.81 1jvr n GLN 134 Cb 0.50 -0.91 0.74 0.00 1.02 0.00 0.00 30.24 31.59 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05