#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 -5.15 -5.18 -0.41 2.00 -1.26 -5.01 117.12 102.11 1jvr n MET 1 Ca 0.00 3.69 -0.30 0.00 0.00 0.00 0.00 57.70 61.09 1jvr n MET 1 Cb 0.00 -3.98 -0.16 0.00 0.00 0.00 0.00 33.22 29.07 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 -1.09 1.21 0.07 3.03 0.00 -1.26 -4.99 107.32 104.29 1jvr s GLY 2 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1jvr s GLY 2 CO 0.00 -0.63 0.00 -1.06 0.00 0.00 0.00 173.10 171.41 1jvr n GLN 3 N 2.90 0.00 0.07 2.90 1.13 -1.26 -5.07 117.38 118.05 1jvr n GLN 3 Ca -0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1jvr n GLN 3 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 1jvr n GLN 3 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1jvr n ILE 4 N -2.72 0.00 -1.32 5.09 2.08 -1.26 -5.07 119.36 116.16 1jvr n ILE 4 Ca 0.00 0.00 -0.61 0.00 0.56 0.00 0.00 62.75 62.70 1jvr n ILE 4 Cb 0.00 -0.31 -0.12 0.00 -0.75 0.00 0.00 39.64 38.46 1jvr n ILE 4 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1jvr n HIS 5 N -2.88 1.25 0.00 1.39 8.25 -1.26 -4.54 115.22 117.43 1jvr n HIS 5 Ca 0.00 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 1jvr n HIS 5 Cb 0.00 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 28.82 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 7.02 0.92 0.00 -1.41 0.00 -1.26 -4.82 105.19 105.65 1jvr n GLY 6 Ca 0.52 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 -0.04 0.99 4.77 -1.26 -4.88 117.00 116.58 1jvr n LEU 7 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1jvr n LEU 7 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1jvr n LEU 7 CO 0.00 0.00 0.36 0.28 -1.33 0.00 0.00 177.39 176.70 1jvr h SER 8 N 0.00 -0.04 0.00 -1.43 0.02 -2.00 -3.35 113.55 106.75 1jvr h SER 8 Ca 0.00 -0.66 -0.53 0.00 -0.84 0.00 0.00 61.79 59.75 1jvr h SER 8 Cb 0.00 0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1jvr h SER 8 CO 0.00 0.74 3.07 -0.81 -1.14 0.00 0.00 176.83 178.69 1jvr n PRO 9 N -4.73 2.67 -1.16 3.45 -0.04 -1.26 -4.94 135.00 128.99 1jvr n PRO 9 Ca -0.08 -1.85 -0.36 0.00 -0.04 0.00 0.00 63.50 61.17 1jvr n PRO 9 Cb 0.34 -2.69 0.01 0.00 -0.04 0.00 0.00 33.50 31.12 1jvr n PRO 9 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 10 N 4.23 0.00 -2.37 0.52 5.66 -1.26 -4.77 114.28 116.29 1jvr n THR 10 Ca 0.58 -0.47 -0.43 0.00 -3.05 0.00 0.00 64.05 60.68 1jvr n THR 10 Cb 0.21 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.97 1jvr n THR 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1jvr s PRO 11 N -0.98 3.78 0.44 1.09 0.04 -1.26 -4.96 135.00 133.14 1jvr s PRO 11 Ca 0.53 1.16 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 1jvr s PRO 11 Cb -0.45 -3.95 -0.15 0.00 0.04 0.00 0.00 34.50 29.99 1jvr s PRO 11 CO 0.63 -1.30 0.08 1.51 0.04 0.00 0.00 177.00 177.96 1jvr n ILE 12 N 6.55 0.62 -1.52 0.56 3.06 -1.26 -4.93 119.36 122.44 1jvr n ILE 12 Ca 0.16 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.61 1jvr n ILE 12 Cb 0.47 -0.07 0.21 0.00 0.54 0.00 0.00 39.64 40.79 1jvr n ILE 12 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1jvr s PRO 13 N -1.09 -0.24 -0.31 9.51 0.04 -1.26 -5.07 135.00 136.58 1jvr s PRO 13 Ca 0.59 -0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 1jvr s PRO 13 Cb -0.59 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.43 1jvr s PRO 13 CO 0.63 -3.03 1.16 0.15 0.04 0.00 0.00 177.00 175.94 1jvr s LYS 14 N -5.65 0.03 0.05 4.56 -0.14 -1.26 -5.17 119.74 112.16 1jvr s LYS 14 Ca 0.72 -0.02 0.00 0.00 -1.36 0.00 0.00 55.97 55.32 1jvr s LYS 14 Cb -0.07 0.00 -0.03 0.00 -1.68 0.00 0.00 37.83 36.05 1jvr s LYS 14 CO 0.54 -0.04 -0.05 0.00 -0.76 0.00 0.00 175.35 175.05 1jvr s ALA 15 N 1.56 0.48 0.00 5.17 0.00 -1.26 -5.12 121.76 122.59 1jvr s ALA 15 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1jvr s ALA 15 Cb 0.09 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1jvr s ALA 15 CO -0.15 -0.20 0.09 -0.35 0.00 0.00 0.00 175.76 175.15 1jvr n PRO 16 N 0.87 0.00 0.00 0.00 -0.04 -1.26 -5.01 135.00 129.56 1jvr n PRO 16 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1jvr n PRO 16 Cb 0.58 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 33.55 1jvr n PRO 16 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1jvr n ARG 17 N -0.35 0.00 -0.30 0.54 1.85 -1.26 -4.97 116.66 112.16 1jvr n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1jvr n ARG 17 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jvr n GLY 18 N 0.00 0.45 4.30 2.89 0.00 -1.26 -4.60 105.19 106.98 1jvr n GLY 18 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.12 -1.06 0.00 0.99 7.99 -1.26 -4.53 117.00 119.01 1jvr n LEU 19 Ca 0.00 -1.26 0.00 0.00 -0.01 0.00 0.00 56.01 54.74 1jvr n LEU 19 Cb 0.02 -1.64 0.00 0.00 -0.11 0.00 0.00 43.42 41.68 1jvr n LEU 19 CO 0.00 0.45 0.00 -1.54 -1.51 0.00 0.00 177.39 174.79 1jvr n SER 20 N -2.88 0.00 -1.19 -1.43 3.41 -1.26 -3.61 113.62 106.66 1jvr n SER 20 Ca -0.31 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.31 1jvr n SER 20 Cb 0.69 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1jvr n SER 20 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jvr n THR 21 N 0.00 0.00 0.00 6.66 -1.04 -1.26 -4.71 114.28 113.93 1jvr n THR 21 Ca 0.00 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1jvr n THR 21 Cb 0.00 0.76 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 1jvr n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jvr n HIS 22 N 0.29 0.00 0.02 -1.42 -0.00 -1.26 -4.36 115.22 108.49 1jvr n HIS 22 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.61 1jvr n HIS 22 Cb 0.95 0.03 -0.13 0.00 -0.00 0.00 0.00 29.99 30.85 1jvr n HIS 22 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1jvr h HIS 23 N 0.00 0.01 -0.03 -1.40 -0.00 -1.90 -3.26 115.15 108.58 1jvr h HIS 23 Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.21 1jvr h HIS 23 Cb 0.84 -0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.26 1jvr h HIS 23 CO 0.00 1.01 -0.58 2.35 -0.00 0.00 0.00 177.93 180.71 1jvr h TRP 24 N 0.00 0.64 -0.64 6.12 -0.00 -1.84 -2.99 115.95 117.24 1jvr h TRP 24 Ca -0.14 -0.33 0.18 0.00 -0.00 0.00 0.00 58.89 58.61 1jvr h TRP 24 Cb 1.88 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 30.94 1jvr h TRP 24 CO 0.00 1.14 0.54 1.25 -0.00 0.00 0.00 178.44 181.36 1jvr h LEU 25 N -0.03 0.00 -1.12 0.65 5.85 -1.76 1.15 115.31 120.05 1jvr h LEU 25 Ca -0.07 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1jvr h LEU 25 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1jvr h LEU 25 CO 0.12 0.00 -0.19 -1.13 -0.34 0.00 0.00 178.44 176.90 1jvr h ASN 26 N 0.00 0.38 0.18 1.25 -1.24 -1.56 -1.13 115.58 113.46 1jvr h ASN 26 Ca 0.30 -0.11 -0.35 0.00 0.71 0.00 0.00 56.30 56.85 1jvr h ASN 26 Cb 1.37 -0.10 0.01 0.00 0.73 0.00 0.00 38.32 40.32 1jvr h ASN 26 CO -0.00 0.59 -1.79 0.15 -1.29 0.00 0.00 177.43 175.08 1jvr h PHE 27 N 0.36 0.69 0.00 0.67 3.04 0.11 -3.20 116.94 118.60 1jvr h PHE 27 Ca 0.06 -0.50 0.00 0.00 3.98 0.00 0.00 57.97 61.51 1jvr h PHE 27 Cb 0.54 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1jvr h PHE 27 CO 0.01 1.70 0.00 -0.11 -2.02 0.00 0.00 178.31 177.90 1jvr n LEU 28 N -3.58 0.26 -0.07 0.59 7.94 0.83 -1.16 117.00 121.81 1jvr n LEU 28 Ca -0.26 0.59 -0.07 0.00 -1.11 0.00 0.00 56.01 55.16 1jvr n LEU 28 Cb 1.07 -0.58 -0.04 0.00 0.53 0.00 0.00 43.42 44.40 1jvr n LEU 28 CO 0.50 -0.51 -0.14 -0.61 -1.11 0.00 0.00 177.39 175.52 1jvr h GLN 29 N 0.00 0.00 -0.70 1.96 4.15 -1.26 -3.10 115.11 116.16 1jvr h GLN 29 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1jvr h GLN 29 Cb 0.17 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.82 1jvr h GLN 29 CO 0.00 0.29 0.43 0.00 -1.93 0.00 0.00 178.83 177.62 1jvr h ALA 30 N -0.78 0.92 -0.82 3.38 0.00 -1.50 -0.22 119.26 120.23 1jvr h ALA 30 Ca -0.05 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1jvr h ALA 30 Cb 0.51 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1jvr h ALA 30 CO -0.03 0.18 0.54 0.00 0.00 0.00 0.00 179.25 179.94 1jvr h ALA 31 N 1.31 1.66 0.00 0.00 0.00 -1.31 0.36 119.26 121.29 1jvr h ALA 31 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jvr h ALA 31 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jvr h ALA 31 CO -0.12 0.19 0.00 -0.92 0.00 0.00 0.00 179.25 178.40 1jvr h TYR 32 N 0.84 0.00 -0.00 0.00 5.03 -1.00 -2.31 116.97 119.53 1jvr h TYR 32 Ca 0.37 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.68 1jvr h TYR 32 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1jvr h TYR 32 CO -0.00 0.00 -0.29 -2.13 -1.32 0.00 0.00 178.16 174.42 1jvr n ARG 33 N -2.76 0.09 -0.77 1.82 0.63 0.12 -4.87 116.66 110.91 1jvr n ARG 33 Ca 0.02 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1jvr n ARG 33 Cb 0.34 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1jvr n ARG 33 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1jvr n LEU 34 N -1.43 0.00 -3.18 6.15 4.77 -0.87 -4.94 117.00 117.51 1jvr n LEU 34 Ca 0.07 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1jvr n LEU 34 Cb 0.33 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1jvr n LEU 34 CO 0.31 -0.09 -0.47 1.67 -1.33 0.00 0.00 177.39 177.48 1jvr n GLN 35 N -0.17 -0.36 -0.91 3.23 0.00 -1.26 -4.64 117.38 113.27 1jvr n GLN 35 Ca 0.00 0.82 -0.23 0.00 -0.00 0.00 0.00 57.00 57.59 1jvr n GLN 35 Cb 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 30.24 29.16 1jvr n GLN 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1jvr n PRO 36 N 1.35 2.38 -3.29 3.69 -0.04 -1.26 -4.64 135.00 133.20 1jvr n PRO 36 Ca -0.00 -1.46 -0.06 0.00 -0.04 0.00 0.00 63.50 61.94 1jvr n PRO 36 Cb 0.46 -2.38 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 1jvr n PRO 36 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jvr s GLY 37 N 2.69 -0.61 0.78 0.55 0.00 -1.26 -5.16 107.32 104.31 1jvr s GLY 37 Ca 0.52 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 46.00 1jvr s GLY 37 CO -0.03 2.95 1.09 2.56 0.00 0.00 0.00 173.10 179.67 1jvr s PRO 38 N 2.61 2.25 0.00 2.90 0.04 -1.26 -3.82 135.00 137.72 1jvr s PRO 38 Ca 0.13 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1jvr s PRO 38 Cb -0.14 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jvr s PRO 38 CO -0.21 -1.52 0.00 0.45 0.04 0.00 0.00 177.00 175.76 1jvr n SER 39 N -3.38 0.00 -4.23 6.66 2.88 -1.26 -4.86 113.62 109.43 1jvr n SER 39 Ca 0.07 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.24 1jvr n SER 39 Cb 0.56 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 1jvr n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1jvr s ASP 40 N 0.00 5.29 -0.08 -3.46 -1.08 -1.25 -4.92 116.67 111.17 1jvr s ASP 40 Ca 0.00 -1.36 0.15 0.00 -0.52 0.00 0.00 52.55 50.82 1jvr s ASP 40 Cb 0.00 -1.86 -0.23 0.00 -1.46 0.00 0.00 42.92 39.37 1jvr s ASP 40 CO 0.00 -0.38 0.48 0.49 0.52 0.00 0.00 175.17 176.27 1jvr n PHE 41 N 4.77 0.63 -2.20 -5.34 3.72 -1.26 -4.76 117.46 113.01 1jvr n PHE 41 Ca -0.11 0.23 -0.02 0.00 -0.05 0.00 0.00 57.45 57.50 1jvr n PHE 41 Cb 0.44 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1jvr n ASP 42 N -2.90 -1.74 0.17 4.37 8.00 -1.26 -4.90 116.55 118.28 1jvr n ASP 42 Ca -0.21 -0.02 0.12 0.00 0.71 0.00 0.00 54.79 55.39 1jvr n ASP 42 Cb 1.05 -0.92 0.62 0.00 -0.02 0.00 0.00 41.12 41.84 1jvr n ASP 42 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1jvr h PHE 43 N -0.07 0.00 0.21 1.24 0.04 -1.98 -2.22 116.94 114.16 1jvr h PHE 43 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1jvr h PHE 43 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1jvr h PHE 43 CO 0.05 0.00 -0.10 -0.56 -0.60 0.00 0.00 178.31 177.10 1jvr h GLN 44 N 0.00 -0.27 0.00 1.51 3.07 -1.99 0.36 115.11 117.79 1jvr h GLN 44 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1jvr h GLN 44 Cb 0.02 0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1jvr h GLN 44 CO 0.00 0.06 0.00 1.04 0.09 0.00 0.00 178.83 180.02 1jvr n GLN 45 N -5.06 0.11 -0.05 0.06 6.02 -0.85 -2.34 117.38 115.27 1jvr n GLN 45 Ca -0.09 0.19 -0.20 0.00 -0.01 0.00 0.00 57.00 56.88 1jvr n GLN 45 Cb 0.24 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 1jvr n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1jvr n LEU 46 N -1.40 2.72 0.28 1.08 0.00 -1.00 -4.07 117.00 114.61 1jvr n LEU 46 Ca 0.06 0.10 0.16 0.00 0.00 0.00 0.00 56.01 56.32 1jvr n LEU 46 Cb 0.15 -1.04 0.89 0.00 0.00 0.00 0.00 43.42 43.43 1jvr n LEU 46 CO 0.13 0.86 1.13 -0.09 0.00 0.00 0.00 177.39 179.42 1jvr h ARG 47 N -0.01 0.00 -0.85 1.96 2.43 0.11 -0.85 114.38 117.17 1jvr h ARG 47 Ca -0.48 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1jvr h ARG 47 Cb 1.96 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.47 1jvr h ARG 47 CO 0.01 0.00 0.50 0.00 -1.51 0.00 0.00 179.97 178.97 1jvr h ARG 48 N 0.00 1.15 0.11 0.20 2.47 -1.68 0.79 114.38 117.42 1jvr h ARG 48 Ca 0.02 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1jvr h ARG 48 Cb 0.12 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1jvr h ARG 48 CO -0.00 0.82 -0.05 0.35 0.56 0.00 0.00 179.97 181.65 1jvr h PHE 49 N 1.17 -0.13 -0.88 3.04 3.57 -1.35 0.38 116.94 122.73 1jvr h PHE 49 Ca 0.30 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1jvr h PHE 49 Cb -0.03 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1jvr h PHE 49 CO -0.00 0.26 0.49 -0.07 -2.23 0.00 0.00 178.31 176.76 1jvr h LEU 50 N -0.57 1.09 -1.39 0.59 3.38 -1.35 -0.12 115.31 116.95 1jvr h LEU 50 Ca -0.01 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1jvr h LEU 50 Cb 0.46 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jvr h LEU 50 CO 0.02 0.87 -0.30 0.50 0.09 0.00 0.00 178.44 179.63 1jvr h LYS 51 N 1.23 0.00 0.36 1.13 3.64 0.65 -1.08 116.57 122.50 1jvr h LYS 51 Ca 0.31 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1jvr h LYS 51 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1jvr h LYS 51 CO -0.05 0.30 -0.17 1.25 -2.27 0.00 0.00 179.45 178.50 1jvr h LEU 52 N 0.00 -0.41 -1.98 5.20 6.46 0.77 -3.07 115.31 122.29 1jvr h LEU 52 Ca -0.00 -0.12 0.13 0.00 -0.12 0.00 0.00 57.88 57.76 1jvr h LEU 52 Cb 0.60 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 1jvr h LEU 52 CO 0.04 0.04 0.33 0.00 -0.62 0.00 0.00 178.44 178.22 1jvr h ALA 53 N -0.74 2.40 0.00 1.25 0.00 -1.01 0.87 119.26 122.03 1jvr h ALA 53 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jvr h ALA 53 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jvr h ALA 53 CO 0.08 -0.53 0.00 -0.11 0.00 0.00 0.00 179.25 178.69 1jvr n LEU 54 N -4.41 0.31 0.00 0.00 7.94 -0.42 -0.49 117.00 119.93 1jvr n LEU 54 Ca 0.08 0.62 0.13 0.00 -1.11 0.00 0.00 56.01 55.73 1jvr n LEU 54 Cb 0.52 -0.63 0.74 0.00 0.53 0.00 0.00 43.42 44.58 1jvr n LEU 54 CO 0.36 -0.62 0.94 1.17 -1.11 0.00 0.00 177.39 178.13 1jvr n LYS 55 N -1.89 0.72 -3.28 1.96 4.81 0.30 -4.31 118.16 116.47 1jvr n LYS 55 Ca 0.00 0.01 -0.07 0.00 -0.87 0.00 0.00 58.31 57.38 1jvr n LYS 55 Cb 0.08 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.59 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1jvr s THR 56 N -2.11 -0.68 -1.12 3.15 -1.32 0.35 -5.05 115.64 108.86 1jvr s THR 56 Ca 0.36 -0.35 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1jvr s THR 56 Cb 0.18 -0.76 -0.06 0.00 -1.51 0.00 0.00 72.50 70.34 1jvr s THR 56 CO 0.31 -0.26 2.14 -0.81 -2.21 0.00 0.00 174.62 173.79 1jvr n PRO 57 N 4.97 2.26 -0.00 7.08 -0.04 -1.26 -3.97 135.00 144.04 1jvr n PRO 57 Ca 0.05 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1jvr n PRO 57 Cb 0.50 -3.01 -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 5.29 0.01 0.01 0.52 0.13 -1.26 -4.48 119.36 119.58 1jvr n ILE 58 Ca 0.52 -0.02 0.06 0.00 -1.10 0.00 0.00 62.75 62.21 1jvr n ILE 58 Cb 0.36 0.25 -0.11 0.00 -0.84 0.00 0.00 39.64 39.30 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 -1.60 0.42 0.17 9.51 4.27 -1.25 -3.99 117.44 124.96 1jvr n TRP 59 Ca -0.00 0.13 -0.13 0.00 -3.89 0.00 0.00 57.50 53.61 1jvr n TRP 59 Cb 0.10 -0.79 -0.08 0.00 -1.36 0.00 0.00 31.31 29.18 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 -0.39 -0.34 5.67 4.07 -1.84 1.56 115.31 124.04 1jvr h LEU 60 Ca -0.11 -0.16 0.04 0.00 0.08 0.00 0.00 57.88 57.73 1jvr h LEU 60 Cb 1.29 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 43.06 1jvr h LEU 60 CO 0.01 0.00 -0.54 0.78 -1.08 0.00 0.00 178.44 177.61 1jvr h ASN 61 N -0.85 -1.80 0.85 -0.43 4.21 -1.78 0.38 115.58 116.16 1jvr h ASN 61 Ca -0.05 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1jvr h ASN 61 Cb 0.53 0.73 0.00 0.00 -1.12 0.00 0.00 38.32 38.46 1jvr h ASN 61 CO 0.08 -0.41 0.00 -0.81 -1.29 0.00 0.00 177.43 174.99 1jvr n PRO 62 N -5.32 0.06 -2.82 0.81 -0.04 -1.23 -4.96 135.00 121.50 1jvr n PRO 62 Ca -0.04 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1jvr n PRO 62 Cb 0.34 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.90 -3.54 0.52 0.13 0.53 -4.98 119.36 108.41 1jvr n ILE 63 Ca 0.05 0.37 -0.02 0.00 -1.10 0.00 0.00 62.75 62.05 1jvr n ILE 63 Cb 0.28 -2.59 -0.05 0.00 -0.84 0.00 0.00 39.64 36.44 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 -0.90 -0.96 0.00 9.51 -1.08 -1.00 -5.00 116.67 117.24 1jvr s ASP 64 Ca 0.05 1.27 0.07 0.00 -0.52 0.00 0.00 52.55 53.41 1jvr s ASP 64 Cb -0.00 2.04 0.31 0.00 -1.46 0.00 0.00 42.92 43.80 1jvr s ASP 64 CO 0.10 -0.23 1.18 0.00 0.52 0.00 0.00 175.17 176.74 1jvr n TYR 65 N 5.43 0.00 0.26 -5.34 4.19 -1.26 -1.56 117.16 118.88 1jvr n TYR 65 Ca -0.09 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.26 1jvr n TYR 65 Cb 0.50 -0.44 0.70 0.00 0.49 0.00 0.00 39.34 40.58 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 0.68 2.98 0.87 -1.98 -1.22 113.55 114.87 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 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1jvr h SER 66 CO 0.00 0.11 -0.92 -0.11 -0.53 0.00 0.00 176.83 175.37 1jvr n LEU 67 N -3.37 0.66 0.32 2.23 0.00 -0.60 -3.92 117.00 112.33 1jvr n LEU 67 Ca -0.01 0.14 -0.13 0.00 0.00 0.00 0.00 56.01 56.01 1jvr n LEU 67 Cb 0.29 -0.12 -0.06 0.00 0.00 0.00 0.00 43.42 43.53 1jvr n LEU 67 CO 0.29 -0.04 0.40 -0.07 0.00 0.00 0.00 177.39 177.97 1jvr h LEU 68 N 0.00 -0.72 -1.98 -1.96 3.38 -1.32 -2.52 115.31 110.20 1jvr h LEU 68 Ca 0.00 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1jvr h LEU 68 Cb 0.80 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1jvr h LEU 68 CO 0.00 -0.41 0.48 0.00 0.09 0.00 0.00 178.44 178.61 1jvr h ALA 69 N -1.40 2.35 -0.47 1.53 0.00 -1.71 0.64 119.26 120.20 1jvr h ALA 69 Ca -0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1jvr h ALA 69 Cb 0.65 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1jvr h ALA 69 CO 0.14 -0.76 0.05 1.03 0.00 0.00 0.00 179.25 179.72 1jvr h SER 70 N 0.00 0.69 0.21 0.00 0.87 -1.60 0.13 113.55 113.85 1jvr h SER 70 Ca 0.26 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1jvr h SER 70 Cb 1.21 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1jvr h SER 70 CO -0.00 0.73 0.00 0.18 -0.53 0.00 0.00 176.83 177.20 1jvr n LEU 71 N -4.26 0.00 -3.17 2.23 4.32 0.22 -3.25 117.00 113.09 1jvr n LEU 71 Ca 0.03 0.18 -0.24 0.00 -0.02 0.00 0.00 56.01 55.96 1jvr n LEU 71 Cb 0.25 -0.18 -0.05 0.00 -1.62 0.00 0.00 43.42 41.82 1jvr n LEU 71 CO 0.40 -0.07 -0.05 -0.38 -1.22 0.00 0.00 177.39 176.07 1jvr n ILE 72 N -1.18 1.33 -0.94 -0.08 5.41 0.03 -4.94 119.36 118.98 1jvr n ILE 72 Ca 0.11 -4.93 -0.26 0.00 1.00 0.00 0.00 62.75 58.67 1jvr n ILE 72 Cb 0.11 -1.40 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 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 0.49 2.57 -2.37 0.38 -0.04 -1.20 -4.15 135.00 130.68 1jvr n PRO 73 Ca 0.27 -1.60 -0.04 0.00 -0.04 0.00 0.00 63.50 62.09 1jvr n PRO 73 Cb 0.49 -2.48 0.02 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.71 -1.53 0.00 0.54 5.02 -1.26 -5.04 118.16 119.60 1jvr n LYS 74 Ca 0.55 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1jvr n LYS 74 Cb 0.26 -3.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.01 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 -1.01 1.09 1.75 0.72 0.00 -1.26 -5.06 105.19 101.43 1jvr n GLY 75 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.72 -1.42 1.61 4.02 -1.26 -4.91 117.16 114.48 1jvr n TYR 76 Ca 0.00 0.41 -0.27 0.00 -0.01 0.00 0.00 57.90 58.03 1jvr n TYR 76 Cb 0.00 -0.97 0.20 0.00 -0.02 0.00 0.00 39.34 38.55 1jvr n TYR 76 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1jvr n PRO 77 N 0.62 -2.01 -0.67 -0.72 -0.04 -1.26 -4.77 135.00 126.14 1jvr n PRO 77 Ca 0.07 -1.71 -0.22 0.00 -0.04 0.00 0.00 63.50 61.61 1jvr n PRO 77 Cb 0.17 -1.34 0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 -3.37 -2.34 1.48 0.55 0.00 -1.26 -3.78 105.19 96.47 1jvr n GLY 78 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1jvr n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jvr n ARG 79 N -0.49 0.00 0.00 1.61 0.63 -1.26 -4.78 116.66 112.37 1jvr n ARG 79 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1jvr n ARG 79 Cb 0.42 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.56 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1jvr n VAL 80 N -2.00 0.00 -0.35 5.15 0.31 -1.25 -4.69 118.33 115.50 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 -0.14 0.19 0.00 -0.91 0.00 0.00 33.84 32.98 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 1.01 -0.05 2.52 2.07 -1.86 0.35 116.25 120.29 1jvr h VAL 81 Ca 0.00 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1jvr h VAL 81 Cb 0.00 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.65 1jvr h VAL 81 CO 0.00 0.19 0.29 1.05 0.02 0.00 0.00 177.57 179.12 1jvr h GLU 82 N 1.04 0.00 0.00 1.57 4.11 -1.89 1.19 114.58 120.59 1jvr h GLU 82 Ca 0.44 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.66 1jvr h GLU 82 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1jvr h GLU 82 CO -0.21 0.00 -2.11 -0.89 0.07 0.00 0.00 179.01 175.87 1jvr n ILE 83 N -3.05 0.86 -0.06 -1.06 5.41 0.11 -4.05 119.36 117.52 1jvr n ILE 83 Ca -0.01 -0.71 -0.13 0.00 1.00 0.00 0.00 62.75 62.90 1jvr n ILE 83 Cb 0.35 -0.34 -0.12 0.00 -0.71 0.00 0.00 39.64 38.83 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 1.60 -0.02 1.39 2.04 0.18 -3.04 117.51 119.65 1jvr h ILE 84 Ca -0.30 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 63.53 1jvr h ILE 84 Cb 1.71 2.94 -0.00 0.00 -0.74 0.00 0.00 36.82 40.73 1jvr h ILE 84 CO 0.02 0.51 0.30 0.78 0.00 0.00 0.00 178.15 179.77 1jvr h ASN 85 N -0.92 0.00 0.66 1.72 -0.26 0.89 0.90 115.58 118.57 1jvr h ASN 85 Ca -0.00 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.47 1jvr h ASN 85 Cb 0.85 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 1jvr h ASN 85 CO 0.00 0.00 -1.20 0.40 -1.06 0.00 0.00 177.43 175.57 1jvr h ILE 86 N 0.00 1.52 -0.76 2.81 2.04 -1.69 -2.73 117.51 118.71 1jvr h ILE 86 Ca 0.01 -3.07 0.02 0.00 1.00 0.00 0.00 64.86 62.82 1jvr h ILE 86 Cb 0.61 2.91 -0.04 0.00 -0.74 0.00 0.00 36.82 39.56 1jvr h ILE 86 CO -0.00 0.89 0.49 -0.07 0.00 0.00 0.00 178.15 179.47 1jvr h LEU 87 N 0.07 0.83 0.23 1.44 3.38 0.94 0.20 115.31 122.42 1jvr h LEU 87 Ca -0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1jvr h LEU 87 Cb 1.93 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1jvr h LEU 87 CO 0.19 0.59 -0.11 0.58 0.09 0.00 0.00 178.44 179.78 1jvr h VAL 88 N 0.98 0.83 -0.02 1.22 2.07 -1.53 0.64 116.25 120.45 1jvr h VAL 88 Ca 0.29 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1jvr h VAL 88 Cb -0.05 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1jvr h VAL 88 CO -0.09 0.13 0.19 0.50 0.02 0.00 0.00 177.57 178.33 1jvr h LYS 89 N -0.64 0.00 0.00 1.57 3.11 -1.17 1.05 116.57 120.50 1jvr h LYS 89 Ca -0.03 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 1jvr h LYS 89 Cb 0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1jvr h LYS 89 CO 0.05 0.00 -1.12 -0.97 -2.81 0.00 0.00 179.45 174.61 1jvr h ASN 90 N 0.00 0.00 0.32 4.20 -1.24 -0.01 -3.15 115.58 115.70 1jvr h ASN 90 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1jvr h ASN 90 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1jvr h ASN 90 CO -0.00 0.21 -0.15 1.56 -1.29 0.00 0.00 177.43 177.76 1jvr h GLN 91 N 0.00 -0.42 0.00 6.67 4.20 0.35 -3.45 115.11 122.46 1jvr h GLN 91 Ca -0.06 0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1jvr h GLN 91 Cb 1.21 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.97 1jvr h GLN 91 CO 0.02 -0.13 -0.04 1.55 -0.67 0.00 0.00 178.83 179.55 1jvr n VAL 92 N -5.07 0.00 -1.41 -0.54 3.14 -0.75 -5.09 118.33 108.62 1jvr n VAL 92 Ca -0.08 -0.77 -0.37 0.00 -2.96 0.00 0.00 64.34 60.16 1jvr n VAL 92 Cb 0.24 1.14 -0.15 0.00 -1.06 0.00 0.00 33.84 34.01 1jvr n VAL 92 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1jvr n SER 93 N 0.96 0.16 0.00 6.55 3.41 -1.19 -4.78 113.62 118.73 1jvr n SER 93 Ca -0.01 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1jvr n SER 93 Cb 0.73 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1jvr n SER 93 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1jvr n PRO 94 N 7.78 0.00 0.00 4.33 -0.04 -1.26 -4.99 135.00 140.81 1jvr n PRO 94 Ca 0.62 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 1jvr n PRO 94 Cb 0.03 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1jvr n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr n SER 95 N -1.94 0.00 -0.37 3.54 2.88 -1.26 -4.95 113.62 111.51 1jvr n SER 95 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1jvr n SER 95 Cb 0.00 0.16 0.03 0.00 -0.75 0.00 0.00 64.21 63.65 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jvr h ALA 96 N 0.00 0.08 -3.00 -1.46 0.00 -1.94 -3.39 119.26 109.55 1jvr h ALA 96 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jvr h ALA 96 Cb 0.00 1.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jvr h ALA 96 CO 0.00 -0.66 0.00 -0.35 0.00 0.00 0.00 179.25 178.24 1jvr n PRO 97 N -5.45 -0.01 0.00 0.00 -0.04 -1.26 -3.90 135.00 124.33 1jvr n PRO 97 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1jvr n PRO 97 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -3.00 0.00 -3.53 0.55 0.00 -1.26 -4.34 120.51 108.93 1jvr n ALA 98 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1jvr n ALA 98 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 3.46 -1.55 0.00 0.00 -1.26 -5.10 120.51 116.07 1jvr n ALA 99 Ca 0.00 -4.27 -0.30 0.00 0.00 0.00 0.00 53.44 48.87 1jvr n ALA 99 Cb 0.00 -0.91 0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.65 1.80 -0.48 0.00 0.04 -1.25 -4.95 135.00 128.50 1jvr s PRO 100 Ca 0.34 0.54 0.08 0.00 0.04 0.00 0.00 61.00 61.99 1jvr s PRO 100 Cb 0.08 -1.89 0.27 0.00 0.04 0.00 0.00 34.50 33.00 1jvr s PRO 100 CO -0.10 -1.80 0.66 0.28 0.04 0.00 0.00 177.00 176.08 1jvr n VAL 101 N -3.54 0.66 1.50 -0.36 0.31 -1.26 -4.89 118.33 110.75 1jvr n VAL 101 Ca 0.07 -4.61 0.06 0.00 -0.01 0.00 0.00 64.34 59.85 1jvr n VAL 101 Cb 0.57 -1.72 0.35 0.00 -0.91 0.00 0.00 33.84 32.13 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 0.93 0.75 -0.27 5.55 -0.04 -1.26 -4.14 135.00 136.52 1jvr n PRO 102 Ca 0.25 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1jvr n PRO 102 Cb 0.50 -1.24 0.02 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.74 -0.38 -2.50 0.52 -1.04 -1.26 -4.15 114.28 104.73 1jvr n THR 103 Ca 0.09 1.64 -0.41 0.00 -2.04 0.00 0.00 64.05 63.33 1jvr n THR 103 Cb 0.04 -2.16 -0.04 0.00 -1.82 0.00 0.00 70.33 66.35 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 -5.64 4.62 -0.04 -2.82 0.04 -1.26 -4.93 135.00 124.97 1jvr s PRO 104 Ca -0.10 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 104 Cb 0.14 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1jvr s PRO 104 CO 0.49 0.14 -0.03 0.44 0.04 0.00 0.00 177.00 178.08 1jvr n ILE 105 N 1.86 0.21 -2.67 0.56 -0.00 -1.26 -4.97 119.36 113.10 1jvr n ILE 105 Ca 0.01 -0.08 -0.04 0.00 -0.00 0.00 0.00 62.75 62.64 1jvr n ILE 105 Cb 0.45 -0.65 0.05 0.00 -0.00 0.00 0.00 39.64 39.50 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jvr h PRO 107 N 3.70 0.11 -5.09 0.00 0.13 -1.99 -3.40 132.00 125.45 1jvr h PRO 107 Ca -0.11 -0.11 -0.29 0.00 -0.87 0.00 0.00 66.00 64.62 1jvr h PRO 107 Cb 1.19 0.03 0.03 0.00 0.13 0.00 0.00 31.00 32.37 1jvr h PRO 107 CO -0.15 0.83 0.86 -2.37 -0.23 0.00 0.00 178.00 176.94 1jvr n THR 108 N -3.68 0.76 -1.26 1.56 5.66 -1.26 -4.72 114.28 111.34 1jvr n THR 108 Ca -0.02 -0.76 0.14 0.00 -3.05 0.00 0.00 64.05 60.37 1jvr n THR 108 Cb 0.75 -2.09 -0.06 0.00 -1.55 0.00 0.00 70.33 67.38 1jvr n THR 108 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1jvr n THR 109 N 7.95 -0.29 -3.99 1.09 5.66 -1.26 -4.97 114.28 118.46 1jvr n THR 109 Ca 0.44 0.53 -0.11 0.00 -3.05 0.00 0.00 64.05 61.86 1jvr n THR 109 Cb 0.45 -0.91 -0.12 0.00 -1.55 0.00 0.00 70.33 68.20 1jvr n THR 109 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1jvr s THR 110 N -3.71 0.22 0.60 1.09 2.01 -1.26 -4.95 115.64 109.63 1jvr s THR 110 Ca 0.00 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 1jvr s THR 110 Cb 0.00 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1jvr s THR 110 CO 0.00 -0.28 1.05 -2.16 -0.69 0.00 0.00 174.62 172.54 1jvr s PRO 111 N -0.99 3.32 0.95 4.92 0.04 -1.26 -5.05 135.00 136.93 1jvr s PRO 111 Ca -0.09 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 1jvr s PRO 111 Cb -0.07 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.60 1jvr s PRO 111 CO -0.00 -0.80 1.16 -1.25 0.04 0.00 0.00 177.00 176.14 1jvr s PRO 112 N -4.24 0.80 0.61 0.56 0.04 -1.26 -5.04 135.00 126.47 1jvr s PRO 112 Ca 0.62 0.16 -0.15 0.00 0.04 0.00 0.00 61.00 61.68 1jvr s PRO 112 Cb -0.15 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1jvr s PRO 112 CO 0.39 -2.40 1.05 -1.25 0.04 0.00 0.00 177.00 174.83 1jvr s PRO 113 N -5.37 3.29 0.60 0.56 0.04 -1.26 -5.04 135.00 127.83 1jvr s PRO 113 Ca 0.66 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 1jvr s PRO 113 Cb -0.13 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1jvr s PRO 113 CO 0.54 -0.82 1.05 -1.25 0.04 0.00 0.00 177.00 176.55 1jvr s PRO 114 N -4.30 3.32 0.91 0.56 0.04 -1.26 -5.05 135.00 129.22 1jvr s PRO 114 Ca 0.62 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1jvr s PRO 114 Cb -0.15 -2.04 0.14 0.00 0.04 0.00 0.00 34.50 32.49 1jvr s PRO 114 CO 0.41 -0.80 1.14 -1.25 0.04 0.00 0.00 177.00 176.53 1jvr s PRO 115 N -4.22 1.13 0.60 0.56 0.04 -1.26 -5.04 135.00 126.81 1jvr s PRO 115 Ca 0.62 0.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 1jvr s PRO 115 Cb -0.15 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1jvr s PRO 115 CO 0.39 -2.20 1.05 -1.25 0.04 0.00 0.00 177.00 175.03 1jvr s PRO 116 N -5.29 3.32 0.00 0.56 0.04 -1.26 -4.93 135.00 127.45 1jvr s PRO 116 Ca 0.64 1.14 0.24 0.00 0.04 0.00 0.00 61.00 63.05 1jvr s PRO 116 Cb -0.15 -2.04 1.34 0.00 0.04 0.00 0.00 34.50 33.70 1jvr s PRO 116 CO 0.53 -0.80 1.78 -0.35 0.04 0.00 0.00 177.00 178.20 1jvr n PRO 117 N -2.16 0.62 -3.67 0.56 -0.04 -1.26 -4.75 135.00 124.30 1jvr n PRO 117 Ca 0.08 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 1jvr n PRO 117 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 1jvr n PRO 117 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1jvr s SER 118 N -2.17 -0.35 1.11 3.54 0.01 -1.26 -5.17 113.70 109.41 1jvr s SER 118 Ca 0.32 0.25 -0.17 0.00 1.31 0.00 0.00 55.95 57.66 1jvr s SER 118 Cb 0.16 0.40 0.24 0.00 0.21 0.00 0.00 66.02 67.03 1jvr s SER 118 CO 0.30 -0.54 1.10 -0.81 0.41 0.00 0.00 173.24 173.69 1jvr n PRO 119 N 1.00 -2.03 -0.39 12.44 -0.04 -1.26 -4.88 135.00 139.84 1jvr n PRO 119 Ca -0.20 -1.72 0.31 0.00 -0.04 0.00 0.00 63.50 61.85 1jvr n PRO 119 Cb 0.57 -1.35 0.61 0.00 -0.04 0.00 0.00 33.50 33.28 1jvr n PRO 119 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1jvr h GLU 120 N 0.00 0.20 0.00 0.54 4.11 -2.01 -3.40 114.58 114.01 1jvr h GLU 120 Ca -0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1jvr h GLU 120 Cb 1.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1jvr h GLU 120 CO 0.26 0.13 0.00 0.00 0.07 0.00 0.00 179.01 179.47 1jvr n ALA 121 N -2.54 1.43 -3.28 1.06 0.00 -1.26 -5.14 120.51 110.78 1jvr n ALA 121 Ca 0.31 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.78 1jvr n ALA 121 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.61 1jvr n ALA 121 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1jvr s HIS 122 N -0.10 -0.38 -1.02 0.00 -3.43 -1.26 -5.00 115.29 104.09 1jvr s HIS 122 Ca 0.00 0.65 -0.17 0.00 -0.80 0.00 0.00 55.06 54.73 1jvr s HIS 122 Cb 0.00 0.22 0.02 0.00 -1.43 0.00 0.00 32.58 31.39 1jvr s HIS 122 CO 0.00 -0.19 0.66 1.55 -2.00 0.00 0.00 174.74 174.76 1jvr n VAL 123 N 4.81 -3.66 -1.94 -5.38 3.14 -1.26 -4.90 118.33 109.14 1jvr n VAL 123 Ca -0.08 -0.38 -0.32 0.00 -2.96 0.00 0.00 64.34 60.60 1jvr n VAL 123 Cb 0.54 -3.00 0.02 0.00 -1.06 0.00 0.00 33.84 30.34 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1jvr s PRO 124 N -6.05 3.27 0.78 1.45 0.04 -1.26 -5.05 135.00 128.18 1jvr s PRO 124 Ca 0.27 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1jvr s PRO 124 Cb -0.14 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.44 1jvr s PRO 124 CO 0.92 -0.85 1.09 -1.25 0.04 0.00 0.00 177.00 176.96 1jvr s PRO 125 N -4.35 2.20 -1.18 0.56 0.04 -1.26 -4.90 135.00 126.11 1jvr s PRO 125 Ca 0.62 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 1jvr s PRO 125 Cb -0.15 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1jvr s PRO 125 CO 0.42 -1.55 2.32 -0.35 0.04 0.00 0.00 177.00 177.87 1jvr n PRO 126 N -3.39 2.54 -1.41 0.56 -0.04 -1.26 -4.91 135.00 127.08 1jvr n PRO 126 Ca 0.07 -1.96 -0.59 0.00 -0.04 0.00 0.00 63.50 60.98 1jvr n PRO 126 Cb 0.56 -2.80 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 1jvr n PRO 126 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jvr n TYR 127 N 5.10 1.38 -2.96 0.54 4.02 -1.26 -4.82 117.16 119.17 1jvr n TYR 127 Ca 0.56 0.91 -0.44 0.00 -0.01 0.00 0.00 57.90 58.92 1jvr n TYR 127 Cb 0.26 -2.08 -0.03 0.00 -0.02 0.00 0.00 39.34 37.48 1jvr n TYR 127 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1jvr s VAL 128 N 3.95 4.67 0.83 -0.72 1.01 -1.26 -5.03 120.40 123.85 1jvr s VAL 128 Ca 1.03 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1jvr s VAL 128 Cb -1.38 -4.69 0.09 0.00 0.00 0.00 0.00 36.38 30.40 1jvr s VAL 128 CO 0.69 -1.41 1.09 -1.61 0.00 0.00 0.00 175.10 173.86 1jvr s GLU 129 N 2.96 1.81 -0.95 2.72 0.41 -1.26 -4.87 118.70 119.52 1jvr s GLU 129 Ca 0.25 0.91 -0.07 0.00 -0.41 0.00 0.00 54.97 55.65 1jvr s GLU 129 Cb -0.12 -1.87 -0.10 0.00 -1.78 0.00 0.00 34.13 30.27 1jvr s GLU 129 CO -0.01 -1.88 2.56 -0.35 -0.49 0.00 0.00 175.26 175.09 1jvr n PRO 130 N -3.65 2.50 -2.19 0.39 -0.04 -1.26 -4.73 135.00 126.03 1jvr n PRO 130 Ca 0.08 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1jvr n PRO 130 Cb 0.55 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1jvr n PRO 130 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jvr n THR 131 N 3.64-13.84 0.00 0.52 -1.04 -1.26 -5.02 114.28 97.28 1jvr n THR 131 Ca 0.53 3.46 0.00 0.00 -2.04 0.00 0.00 64.05 66.00 1jvr n THR 131 Cb 0.29 -5.76 0.00 0.00 -1.82 0.00 0.00 70.33 63.03 1jvr n THR 131 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1jvr n THR 132 N 1.96 0.00 -4.20 12.58 5.66 -1.26 -5.15 114.28 123.86 1jvr n THR 132 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1jvr n THR 132 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 1jvr n THR 132 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1jvr s THR 133 N -0.97 0.35 -0.44 1.09 -1.32 -1.26 -5.11 115.64 107.97 1jvr s THR 133 Ca 0.00 -1.95 0.03 0.00 -1.21 0.00 0.00 61.69 58.56 1jvr s THR 133 Cb 0.00 -2.14 0.24 0.00 -1.51 0.00 0.00 72.50 69.08 1jvr s THR 133 CO 0.00 -0.41 0.97 0.00 -2.21 0.00 0.00 174.62 172.97 1jvr n GLN 134 N -0.19 0.53 -0.94 7.08 6.02 -1.26 -5.02 117.38 123.61 1jvr n GLN 134 Ca -0.05 -1.45 0.12 0.00 -0.01 0.00 0.00 57.00 55.61 1jvr n GLN 134 Cb 0.64 -1.04 -0.05 0.00 1.02 0.00 0.00 30.24 30.80 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05