#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvr n MET 1 N 0.00 0.00 0.00 -0.41 0.00 -1.26 -5.10 117.12 110.35 1jvr n MET 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jvr n MET 1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1jvr n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jvr n GLY 2 N -1.01 -1.12 2.70 -5.12 0.00 -1.26 -5.10 105.19 94.29 1jvr n GLY 2 Ca 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 1jvr n GLY 2 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jvr n GLN 3 N 0.00 -3.84 -3.64 1.61 0.00 -1.26 -5.03 117.38 105.23 1jvr n GLN 3 Ca 0.00 2.98 -0.27 0.00 -0.00 0.00 0.00 57.00 59.71 1jvr n GLN 3 Cb 0.00 -4.75 -0.16 0.00 0.00 0.00 0.00 30.24 25.33 1jvr n GLN 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1jvr s ILE 4 N -0.99 0.15 -0.39 1.69 1.01 -1.26 -5.01 121.20 116.39 1jvr s ILE 4 Ca -0.16 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1jvr s ILE 4 Cb 0.01 -0.86 0.27 0.00 0.01 0.00 0.00 42.46 41.89 1jvr s ILE 4 CO 0.71 -0.39 1.12 0.00 0.00 0.00 0.00 174.94 176.38 1jvr n HIS 5 N 5.18 -1.65 0.06 3.97 1.44 -1.26 -5.04 115.22 117.92 1jvr n HIS 5 Ca -0.07 -1.15 0.00 0.00 -2.01 0.00 0.00 57.72 54.49 1jvr n HIS 5 Cb 0.47 1.29 0.00 0.00 0.12 0.00 0.00 29.99 31.87 1jvr n HIS 5 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jvr n GLY 6 N 1.44 -0.67 3.11 -1.39 0.00 -1.26 -5.12 105.19 101.29 1jvr n GLY 6 Ca 0.04 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.84 -4.75 -2.94 0.99 -0.00 -1.26 -4.04 117.00 102.17 1jvr n LEU 7 Ca 0.00 0.30 -0.02 0.00 -0.00 0.00 0.00 56.01 56.29 1jvr n LEU 7 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1jvr n LEU 7 CO 0.00 -5.46 -0.46 -1.20 -0.00 0.00 0.00 177.39 170.27 1jvr n SER 8 N 2.70 -7.39 -3.10 1.45 7.64 -1.26 -4.71 113.62 108.95 1jvr n SER 8 Ca 0.01 0.94 -0.27 0.00 1.01 0.00 0.00 58.87 60.56 1jvr n SER 8 Cb 0.54 -3.80 -0.04 0.00 -1.01 0.00 0.00 64.21 59.90 1jvr n SER 8 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jvr n PRO 9 N 0.83 2.62 -1.26 1.43 -0.04 -1.26 -4.88 135.00 132.43 1jvr n PRO 9 Ca 0.00 -1.64 -0.31 0.00 -0.04 0.00 0.00 63.50 61.51 1jvr n PRO 9 Cb 0.24 -2.51 -0.14 0.00 -0.04 0.00 0.00 33.50 31.05 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 3.78 0.00 -0.12 0.52 -1.04 -1.26 -4.85 114.28 111.30 1jvr n THR 10 Ca 0.56 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1jvr n THR 10 Cb 0.24 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 1jvr n THR 10 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1jvr n PRO 11 N 6.58 0.75 -0.36 -2.82 -0.04 -1.26 -4.86 135.00 132.99 1jvr n PRO 11 Ca 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 64.03 1jvr n PRO 11 Cb 0.05 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.57 1jvr n PRO 11 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1jvr n ILE 12 N -0.58 -0.47 -2.53 0.52 5.41 -1.26 -4.30 119.36 116.14 1jvr n ILE 12 Ca 0.00 2.21 -0.36 0.00 1.00 0.00 0.00 62.75 65.60 1jvr n ILE 12 Cb 0.00 -2.96 -0.04 0.00 -0.71 0.00 0.00 39.64 35.93 1jvr n ILE 12 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1jvr s PRO 13 N -5.98 4.12 0.00 0.38 0.04 -1.26 -4.93 135.00 127.37 1jvr s PRO 13 Ca -0.13 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1jvr s PRO 13 Cb 0.21 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1jvr s PRO 13 CO 0.70 -0.18 0.00 0.36 0.04 0.00 0.00 177.00 177.92 1jvr n LYS 14 N -0.16 0.00 0.00 4.56 0.00 -1.26 -4.86 118.16 116.44 1jvr n LYS 14 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1jvr n LYS 14 Cb 0.50 -0.13 0.00 0.00 -0.00 0.00 0.00 35.03 35.40 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 -2.24 0.00 -0.94 0.58 0.00 -1.26 -5.01 120.51 111.65 1jvr n ALA 15 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1jvr n ALA 15 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.00 2.53 -4.37 0.00 -0.04 -1.26 -4.82 135.00 127.03 1jvr n PRO 16 Ca 0.00 -1.57 -0.22 0.00 -0.04 0.00 0.00 63.50 61.67 1jvr n PRO 16 Cb 0.00 -2.46 -0.11 0.00 -0.04 0.00 0.00 33.50 30.90 1jvr n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1jvr s ARG 17 N 2.61 1.38 0.00 0.54 1.81 -1.26 -4.75 118.95 119.28 1jvr s ARG 17 Ca 0.52 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 52.99 1jvr s ARG 17 Cb 0.16 -1.39 0.00 0.00 -0.45 0.00 0.00 34.95 33.27 1jvr s ARG 17 CO -0.04 0.27 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 1jvr n GLY 18 N -0.07 -0.69 2.84 -3.53 0.00 -1.26 -4.96 105.19 97.52 1jvr n GLY 18 Ca -0.10 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1jvr n GLY 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jvr n LEU 19 N 0.00 4.08 -2.22 0.99 -0.00 -1.26 -5.01 117.00 113.57 1jvr n LEU 19 Ca 0.00 -5.61 0.00 0.00 -0.00 0.00 0.00 56.01 50.40 1jvr n LEU 19 Cb 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1jvr n LEU 19 CO 0.00 2.34 -0.48 -1.54 -0.00 0.00 0.00 177.39 177.71 1jvr n SER 20 N -0.15 -9.10 -0.01 1.45 3.41 -1.26 -4.21 113.62 103.75 1jvr n SER 20 Ca 0.30 1.62 0.14 0.00 -0.26 0.00 0.00 58.87 60.67 1jvr n SER 20 Cb 0.42 -5.12 0.59 0.00 -0.26 0.00 0.00 64.21 59.83 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 4.40 0.85 0.09 6.66 2.02 -1.95 -1.13 112.91 123.85 1jvr h THR 21 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1jvr h THR 21 Cb 0.00 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1jvr h THR 21 CO 0.00 0.04 -0.06 0.45 0.37 0.00 0.00 175.52 176.32 1jvr h HIS 22 N 0.21 -0.16 -0.84 3.16 3.86 -1.98 1.79 115.15 121.19 1jvr h HIS 22 Ca 0.23 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1jvr h HIS 22 Cb 0.63 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 29.12 1jvr h HIS 22 CO -0.00 -0.10 0.54 0.45 0.86 0.00 0.00 177.93 179.68 1jvr h HIS 23 N -0.15 1.02 -0.33 2.45 -0.00 -1.42 -0.89 115.15 115.83 1jvr h HIS 23 Ca -0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1jvr h HIS 23 Cb 0.14 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 1jvr h HIS 23 CO -0.09 0.61 -0.11 2.35 -0.00 0.00 0.00 177.93 180.68 1jvr h TRP 24 N 1.07 0.74 -0.73 2.45 2.91 -0.80 -2.31 115.95 119.28 1jvr h TRP 24 Ca 0.32 -0.17 0.20 0.00 1.13 0.00 0.00 58.89 60.38 1jvr h TRP 24 Cb -0.04 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.40 1jvr h TRP 24 CO -0.02 0.84 0.52 1.25 -1.03 0.00 0.00 178.44 180.00 1jvr h LEU 25 N 0.42 0.07 -1.66 0.65 5.85 0.36 1.71 115.31 122.72 1jvr h LEU 25 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jvr h LEU 25 Cb 0.62 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1jvr h LEU 25 CO 0.04 0.03 0.00 -1.13 -0.34 0.00 0.00 178.44 177.04 1jvr h ASN 26 N 0.07 0.00 0.10 1.25 -0.00 -0.60 0.35 115.58 116.75 1jvr h ASN 26 Ca 0.35 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 56.29 1jvr h ASN 26 Cb 1.29 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.55 1jvr h ASN 26 CO -0.03 0.00 -2.26 0.33 -0.00 0.00 0.00 177.43 175.47 1jvr n PHE 27 N -2.95 0.29 0.13 0.67 -0.00 0.56 -3.75 117.46 112.41 1jvr n PHE 27 Ca 0.00 0.09 0.01 0.00 -0.00 0.00 0.00 57.45 57.54 1jvr n PHE 27 Cb 0.24 -1.05 0.09 0.00 -0.00 0.00 0.00 39.48 38.76 1jvr n PHE 27 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jvr h LEU 28 N 0.01 0.00 0.34 -2.13 5.85 -0.49 -2.83 115.31 116.07 1jvr h LEU 28 Ca -0.50 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1jvr h LEU 28 Cb 2.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1jvr h LEU 28 CO 0.01 0.60 -0.16 1.56 -0.34 0.00 0.00 178.44 180.11 1jvr h GLN 29 N 0.00 -0.44 -0.86 1.25 4.20 -0.48 -0.73 115.11 118.05 1jvr h GLN 29 Ca -0.01 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.87 1jvr h GLN 29 Cb 1.32 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 29.14 1jvr h GLN 29 CO 0.08 -0.12 0.56 0.00 -0.67 0.00 0.00 178.83 178.67 1jvr h ALA 30 N -0.57 1.85 0.00 3.87 0.00 -1.65 0.84 119.26 123.60 1jvr h ALA 30 Ca -0.05 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1jvr h ALA 30 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jvr h ALA 30 CO 0.08 -0.07 -0.36 0.00 0.00 0.00 0.00 179.25 178.90 1jvr h ALA 31 N 1.60 1.10 0.00 0.00 0.00 -1.44 -1.53 119.26 118.99 1jvr h ALA 31 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jvr h ALA 31 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jvr h ALA 31 CO -0.18 0.45 -0.71 1.88 0.00 0.00 0.00 179.25 180.69 1jvr h TYR 32 N 0.00 0.00 0.00 0.00 -1.99 0.19 -3.30 116.97 111.87 1jvr h TYR 32 Ca -0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 1jvr h TYR 32 Cb 0.80 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.50 1jvr h TYR 32 CO 0.00 0.00 -1.05 -0.09 -0.00 0.00 0.00 178.16 177.02 1jvr h ARG 33 N 0.00 0.00 -0.18 4.88 2.43 0.79 -3.33 114.38 118.97 1jvr h ARG 33 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1jvr h ARG 33 Cb 0.89 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1jvr h ARG 33 CO 0.00 0.37 0.07 -0.07 -1.51 0.00 0.00 179.97 178.83 1jvr h LEU 34 N 0.00 0.09 -2.94 3.80 3.38 -1.37 -3.49 115.31 114.78 1jvr h LEU 34 Ca -0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jvr h LEU 34 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1jvr h LEU 34 CO 0.05 0.08 0.00 1.67 0.09 0.00 0.00 178.44 180.33 1jvr n GLN 35 N -5.04 0.00 -2.33 1.13 -0.06 -1.25 -4.93 117.38 104.90 1jvr n GLN 35 Ca -0.03 0.49 -0.42 0.00 -2.00 0.00 0.00 57.00 55.04 1jvr n GLN 35 Cb 0.06 -0.98 -0.02 0.00 -4.06 0.00 0.00 30.24 25.24 1jvr n GLN 35 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1jvr s PRO 36 N -0.90 3.36 0.00 3.69 0.04 -1.26 -4.79 135.00 135.13 1jvr s PRO 36 Ca 0.00 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1jvr s PRO 36 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1jvr s PRO 36 CO 0.00 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.60 1jvr n GLY 37 N 5.23 0.43 0.00 0.56 0.00 -1.26 -4.85 105.19 105.29 1jvr n GLY 37 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1jvr n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jvr n PRO 38 N -0.38 0.29 -4.06 1.61 -0.04 -1.26 -4.83 135.00 126.33 1jvr n PRO 38 Ca 0.00 0.08 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 1jvr n PRO 38 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1jvr n PRO 38 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr s SER 39 N -2.61 0.94 0.00 3.54 0.15 -1.26 -5.18 113.70 109.27 1jvr s SER 39 Ca 0.21 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1jvr s SER 39 Cb 0.15 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1jvr s SER 39 CO 0.35 -1.37 0.00 -0.90 1.20 0.00 0.00 173.24 172.52 1jvr n ASP 40 N -1.53 1.55 0.00 5.45 5.68 -1.26 -4.58 116.55 121.86 1jvr n ASP 40 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jvr n ASP 40 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1jvr n ASP 40 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1jvr n PHE 41 N 0.00 0.00 -1.18 2.11 3.72 -1.26 -4.95 117.46 115.90 1jvr n PHE 41 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jvr n PHE 41 Cb 0.00 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1jvr n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jvr n ASP 42 N -2.73 -1.57 0.27 4.37 4.64 -1.26 -3.22 116.55 117.06 1jvr n ASP 42 Ca 0.00 0.00 0.15 0.00 -1.38 0.00 0.00 54.79 53.56 1jvr n ASP 42 Cb 0.47 -0.78 0.82 0.00 -1.04 0.00 0.00 41.12 40.58 1jvr n ASP 42 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1jvr h PHE 43 N 0.00 0.00 0.21 -0.67 0.04 -1.99 -1.48 116.94 113.04 1jvr h PHE 43 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1jvr h PHE 43 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1jvr h PHE 43 CO 0.00 0.00 -0.10 0.37 -0.60 0.00 0.00 178.31 177.98 1jvr h GLN 44 N 0.00 -0.27 0.00 1.51 -0.00 -1.99 0.24 115.11 114.60 1jvr h GLN 44 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1jvr h GLN 44 Cb 0.32 0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.87 1jvr h GLN 44 CO 0.00 -0.02 0.00 0.94 0.00 0.00 0.00 178.83 179.75 1jvr n GLN 45 N -5.11 0.08 -0.09 1.69 -0.06 -0.56 -1.12 117.38 112.20 1jvr n GLN 45 Ca -0.09 0.53 -0.14 0.00 -2.00 0.00 0.00 57.00 55.30 1jvr n GLN 45 Cb 0.21 -1.72 -0.07 0.00 -4.06 0.00 0.00 30.24 24.60 1jvr n GLN 45 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1jvr n LEU 46 N -1.88 1.84 0.23 1.69 0.00 -0.78 -2.54 117.00 115.56 1jvr n LEU 46 Ca -0.00 0.51 0.17 0.00 0.00 0.00 0.00 56.01 56.70 1jvr n LEU 46 Cb 0.05 -0.91 0.86 0.00 0.00 0.00 0.00 43.42 43.42 1jvr n LEU 46 CO 0.07 -0.07 1.15 -0.09 0.00 0.00 0.00 177.39 178.45 1jvr h ARG 47 N -1.00 0.00 0.16 1.96 2.43 -0.05 0.23 114.38 118.10 1jvr h ARG 47 Ca -0.20 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.68 1jvr h ARG 47 Cb 0.95 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1jvr h ARG 47 CO -0.12 0.00 -1.45 0.07 -1.51 0.00 0.00 179.97 176.96 1jvr h ARG 48 N 0.00 0.33 -0.88 0.20 0.11 -1.27 -2.81 114.38 110.05 1jvr h ARG 48 Ca 0.07 -0.56 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1jvr h ARG 48 Cb 0.45 0.21 -0.04 0.00 1.11 0.00 0.00 29.97 31.69 1jvr h ARG 48 CO -0.00 1.27 0.55 0.35 0.10 0.00 0.00 179.97 182.24 1jvr h PHE 49 N -0.14 1.14 0.22 4.08 3.57 -0.86 0.39 116.94 125.33 1jvr h PHE 49 Ca -0.29 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 1jvr h PHE 49 Cb 1.89 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1jvr h PHE 49 CO 0.13 0.74 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.77 1jvr h LEU 50 N 1.21 -0.25 -2.16 0.59 3.38 -1.15 -2.17 115.31 114.76 1jvr h LEU 50 Ca 0.32 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1jvr h LEU 50 Cb -0.08 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1jvr h LEU 50 CO -0.06 0.21 0.20 0.11 0.09 0.00 0.00 178.44 178.99 1jvr h LYS 51 N -0.81 0.00 0.26 1.13 6.56 -1.31 -1.01 116.57 121.39 1jvr h LYS 51 Ca -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1jvr h LYS 51 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 1jvr h LYS 51 CO 0.05 0.00 -0.13 1.25 -2.06 0.00 0.00 179.45 178.56 1jvr h LEU 52 N 0.00 -0.30 -1.82 2.94 6.46 -0.05 -2.80 115.31 119.74 1jvr h LEU 52 Ca 0.10 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 57.77 1jvr h LEU 52 Cb 0.50 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1jvr h LEU 52 CO -0.00 0.07 0.36 0.00 -0.62 0.00 0.00 178.44 178.25 1jvr h ALA 53 N -0.11 2.22 0.00 1.25 0.00 -0.57 0.81 119.26 122.87 1jvr h ALA 53 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jvr h ALA 53 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jvr h ALA 53 CO 0.06 -0.36 0.00 -0.11 0.00 0.00 0.00 179.25 178.84 1jvr n LEU 54 N -4.44 0.45 0.00 0.00 7.94 -0.58 -0.38 117.00 119.99 1jvr n LEU 54 Ca 0.09 0.68 0.10 0.00 -1.11 0.00 0.00 56.01 55.77 1jvr n LEU 54 Cb 0.45 -0.71 0.53 0.00 0.53 0.00 0.00 43.42 44.22 1jvr n LEU 54 CO 0.35 -0.76 0.81 2.29 -1.11 0.00 0.00 177.39 178.97 1jvr n LYS 55 N -2.08 0.36 -3.34 1.96 -0.00 0.28 -4.24 118.16 111.11 1jvr n LYS 55 Ca -0.00 0.08 -0.13 0.00 -0.00 0.00 0.00 58.31 58.26 1jvr n LYS 55 Cb 0.07 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.53 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 -2.45 -0.51 -1.12 0.58 -1.32 0.48 -5.05 115.64 106.25 1jvr s THR 56 Ca 0.21 -0.54 -0.16 0.00 -1.21 0.00 0.00 61.69 60.00 1jvr s THR 56 Cb 0.14 -0.83 -0.06 0.00 -1.51 0.00 0.00 72.50 70.23 1jvr s THR 56 CO 0.29 -0.40 2.15 -0.81 -2.21 0.00 0.00 174.62 173.64 1jvr n PRO 57 N 4.95 2.27 -0.00 7.08 -0.04 -1.26 -3.95 135.00 144.04 1jvr n PRO 57 Ca 0.04 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1jvr n PRO 57 Cb 0.48 -3.00 -0.00 0.00 -0.04 0.00 0.00 33.50 30.94 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 5.24 0.01 0.02 0.52 0.13 -1.26 -4.45 119.36 119.57 1jvr n ILE 58 Ca 0.52 -0.02 0.05 0.00 -1.10 0.00 0.00 62.75 62.21 1jvr n ILE 58 Cb 0.35 0.08 -0.10 0.00 -0.84 0.00 0.00 39.64 39.13 1jvr n ILE 58 CO 0.00 0.00 0.00 -2.67 2.80 0.00 0.00 176.55 176.68 1jvr n TRP 59 N -1.66 0.53 0.14 9.51 4.27 -1.25 -3.97 117.44 125.00 1jvr n TRP 59 Ca -0.00 0.17 -0.12 0.00 -3.89 0.00 0.00 57.50 53.65 1jvr n TRP 59 Cb 0.15 -0.86 -0.07 0.00 -1.36 0.00 0.00 31.31 29.17 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 -0.34 -0.50 5.67 4.07 -1.84 0.99 115.31 123.36 1jvr h LEU 60 Ca -0.13 -0.20 0.06 0.00 0.08 0.00 0.00 57.88 57.69 1jvr h LEU 60 Cb 1.35 0.09 -0.09 0.00 1.08 0.00 0.00 40.66 43.09 1jvr h LEU 60 CO 0.02 0.09 -0.56 0.78 -1.08 0.00 0.00 178.44 177.69 1jvr h ASN 61 N -0.85 -1.91 0.83 -0.43 4.21 -1.78 0.65 115.58 116.30 1jvr h ASN 61 Ca -0.04 0.26 0.00 0.00 1.21 0.00 0.00 56.30 57.73 1jvr h ASN 61 Cb 0.52 0.80 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 1jvr h ASN 61 CO 0.07 -0.38 0.00 -0.81 -1.29 0.00 0.00 177.43 175.02 1jvr n PRO 62 N -5.36 0.05 -2.93 0.81 -0.04 -1.24 -4.96 135.00 121.34 1jvr n PRO 62 Ca -0.03 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1jvr n PRO 62 Cb 0.33 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.66 -1.93 -3.37 0.52 0.13 0.34 -4.99 119.36 108.40 1jvr n ILE 63 Ca 0.05 0.41 0.02 0.00 -1.10 0.00 0.00 62.75 62.13 1jvr n ILE 63 Cb 0.27 -2.72 -0.03 0.00 -0.84 0.00 0.00 39.64 36.33 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 -0.93 -0.97 0.12 9.51 -1.08 -1.01 -5.00 116.67 117.31 1jvr s ASP 64 Ca 0.03 0.99 0.10 0.00 -0.52 0.00 0.00 52.55 53.15 1jvr s ASP 64 Cb -0.00 1.96 0.50 0.00 -1.46 0.00 0.00 42.92 43.92 1jvr s ASP 64 CO 0.07 -0.18 1.30 0.00 0.52 0.00 0.00 175.17 176.88 1jvr n TYR 65 N 5.32 0.28 0.31 -5.34 4.19 -1.26 -1.52 117.16 119.15 1jvr n TYR 65 Ca -0.07 0.14 0.19 0.00 3.31 0.00 0.00 57.90 61.46 1jvr n TYR 65 Cb 0.51 -0.72 1.05 0.00 0.49 0.00 0.00 39.34 40.66 1jvr n TYR 65 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 1jvr h SER 66 N 0.00 0.00 0.68 2.98 0.02 -1.97 0.31 113.55 115.57 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jvr h SER 66 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1jvr h SER 66 CO 0.00 0.01 -1.04 -0.11 -1.14 0.00 0.00 176.83 174.55 1jvr n LEU 67 N -3.44 0.66 0.19 5.07 0.00 -0.57 -3.87 117.00 115.03 1jvr n LEU 67 Ca -0.03 0.16 -0.08 0.00 0.00 0.00 0.00 56.01 56.06 1jvr n LEU 67 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1jvr n LEU 67 CO 0.24 -0.07 0.27 -0.07 0.00 0.00 0.00 177.39 177.76 1jvr h LEU 68 N 0.00 -0.45 -1.85 -1.96 3.38 -0.52 -2.73 115.31 111.18 1jvr h LEU 68 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1jvr h LEU 68 Cb 0.86 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1jvr h LEU 68 CO 0.00 -0.13 0.42 0.00 0.09 0.00 0.00 178.44 178.82 1jvr h ALA 69 N -1.37 1.59 -0.26 1.53 0.00 -1.64 0.76 119.26 119.87 1jvr h ALA 69 Ca -0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1jvr h ALA 69 Cb 0.41 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jvr h ALA 69 CO 0.09 -0.48 -0.53 1.03 0.00 0.00 0.00 179.25 179.36 1jvr h SER 70 N 0.00 0.85 -0.84 0.00 0.87 -1.63 -3.03 113.55 109.77 1jvr h SER 70 Ca 0.06 -0.45 0.04 0.00 -1.23 0.00 0.00 61.79 60.20 1jvr h SER 70 Cb 0.89 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1jvr h SER 70 CO -0.00 1.22 0.54 -0.07 -0.53 0.00 0.00 176.83 177.98 1jvr h LEU 71 N 0.60 0.88 -8.84 2.23 4.07 0.84 -3.41 115.31 111.67 1jvr h LEU 71 Ca 0.02 -0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.34 1jvr h LEU 71 Cb 1.11 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.66 1jvr h LEU 71 CO 0.11 0.60 1.37 -0.38 -1.08 0.00 0.00 178.44 179.06 1jvr n ILE 72 N -4.58 0.32 -0.68 1.22 5.41 -1.15 -4.78 119.36 115.13 1jvr n ILE 72 Ca 0.11 -0.29 -0.07 0.00 1.00 0.00 0.00 62.75 63.49 1jvr n ILE 72 Cb 0.11 -1.99 -0.10 0.00 -0.71 0.00 0.00 39.64 36.94 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 8.04 1.36 -1.77 0.38 -0.04 -1.26 -4.79 135.00 136.92 1jvr n PRO 73 Ca 0.34 -0.61 -0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1jvr n PRO 73 Cb 0.31 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 2.45 -0.12 0.00 0.54 4.01 -1.26 -4.25 118.16 119.52 1jvr n LYS 74 Ca 0.26 0.36 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 1jvr n LYS 74 Cb 0.63 -0.46 0.00 0.00 -0.51 0.00 0.00 35.03 34.69 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jvr n GLY 75 N 0.87 0.12 2.74 0.72 0.00 -1.26 -5.12 105.19 103.26 1jvr n GLY 75 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jvr n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jvr n TYR 76 N 0.00 -3.51 -0.64 1.61 9.36 -1.26 -4.95 117.16 117.77 1jvr n TYR 76 Ca 0.00 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1jvr n TYR 76 Cb 0.00 -1.37 0.00 0.00 -0.63 0.00 0.00 39.34 37.34 1jvr n TYR 76 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1jvr n PRO 77 N 1.73 -0.28 -0.16 2.98 -0.04 -1.26 -4.84 135.00 133.14 1jvr n PRO 77 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1jvr n PRO 77 Cb 0.45 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.90 1jvr n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvr n GLY 78 N 3.75 -0.50 1.85 0.55 0.00 -1.26 -3.92 105.19 105.66 1jvr n GLY 78 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1jvr n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jvr n ARG 79 N -1.17 4.83 -0.27 1.61 3.00 -1.20 -4.46 116.66 119.00 1jvr n ARG 79 Ca 0.00 -3.16 -0.01 0.00 -0.01 0.00 0.00 57.85 54.68 1jvr n ARG 79 Cb 0.07 -2.25 0.12 0.00 0.00 0.00 0.00 32.46 30.39 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1jvr h VAL 80 N 3.90 1.01 -0.06 1.55 2.07 -1.82 -0.94 116.25 121.96 1jvr h VAL 80 Ca 0.00 -0.28 -0.24 0.00 0.82 0.00 0.00 66.70 67.00 1jvr h VAL 80 Cb 1.97 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1jvr h VAL 80 CO 0.48 0.15 -0.91 0.58 0.02 0.00 0.00 177.57 177.89 1jvr h VAL 81 N 0.83 1.30 0.00 2.57 2.07 -1.79 -0.81 116.25 120.42 1jvr h VAL 81 Ca 0.33 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1jvr h VAL 81 Cb 0.17 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1jvr h VAL 81 CO -0.17 0.67 0.06 -0.33 0.02 0.00 0.00 177.57 177.81 1jvr h GLU 82 N 0.41 0.00 0.00 1.57 4.39 -1.58 1.75 114.58 121.12 1jvr h GLU 82 Ca -0.09 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.21 1jvr h GLU 82 Cb 1.55 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.13 1jvr h GLU 82 CO 0.18 0.00 -2.39 -0.89 -1.16 0.00 0.00 179.01 174.74 1jvr n ILE 83 N -2.31 1.38 0.03 3.13 5.41 -0.45 -4.36 119.36 122.19 1jvr n ILE 83 Ca -0.02 -0.43 -0.03 0.00 1.00 0.00 0.00 62.75 63.28 1jvr n ILE 83 Cb 0.09 -1.63 0.22 0.00 -0.71 0.00 0.00 39.64 37.60 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 -0.52 1.26 -0.23 1.39 2.04 -0.29 -1.88 117.51 119.28 1jvr h ILE 84 Ca -0.60 -1.26 0.07 0.00 1.00 0.00 0.00 64.86 64.07 1jvr h ILE 84 Cb 1.68 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1jvr h ILE 84 CO -0.26 0.40 0.26 -0.55 0.00 0.00 0.00 178.15 178.00 1jvr h ASN 85 N 0.39 0.00 0.63 1.72 -1.07 0.24 0.71 115.58 118.20 1jvr h ASN 85 Ca 0.06 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.28 1jvr h ASN 85 Cb 0.66 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.89 1jvr h ASN 85 CO 0.05 0.00 -0.68 0.40 0.07 0.00 0.00 177.43 177.27 1jvr h ILE 86 N 0.00 1.47 -0.06 6.14 2.04 -1.53 -0.33 117.51 125.23 1jvr h ILE 86 Ca 0.11 -2.29 -0.13 0.00 1.00 0.00 0.00 64.86 63.54 1jvr h ILE 86 Cb 0.63 2.23 0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1jvr h ILE 86 CO -0.00 0.66 -0.49 -0.07 0.00 0.00 0.00 178.15 178.25 1jvr h LEU 87 N 0.03 0.54 -0.01 1.44 3.38 0.34 -1.14 115.31 119.89 1jvr h LEU 87 Ca -0.01 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.28 1jvr h LEU 87 Cb 1.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1jvr h LEU 87 CO 0.09 1.13 0.00 0.58 0.09 0.00 0.00 178.44 180.34 1jvr h VAL 88 N -0.02 1.15 0.00 1.22 2.07 -1.18 -1.10 116.25 118.39 1jvr h VAL 88 Ca -0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1jvr h VAL 88 Cb 1.15 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1jvr h VAL 88 CO 0.10 0.11 0.00 1.17 0.02 0.00 0.00 177.57 178.97 1jvr n LYS 89 N -4.99 0.18 0.04 1.57 0.00 -0.14 -2.59 118.16 112.22 1jvr n LYS 89 Ca -0.07 0.51 -0.02 0.00 0.00 0.00 0.00 58.31 58.72 1jvr n LYS 89 Cb 0.11 -1.92 -0.01 0.00 0.00 0.00 0.00 35.03 33.21 1jvr n LYS 89 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1jvr h ASN 90 N 0.00 -0.14 0.00 3.14 -0.00 -0.05 -3.47 115.58 115.06 1jvr h ASN 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1jvr h ASN 90 Cb 0.23 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.58 1jvr h ASN 90 CO 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 177.43 177.61 1jvr n GLN 91 N -3.97 0.00 -2.70 6.67 10.64 -0.53 -4.83 117.38 122.67 1jvr n GLN 91 Ca -0.02 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.06 1jvr n GLN 91 Cb 0.06 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.49 1jvr n GLN 91 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1jvr n VAL 92 N 0.00 0.69 -3.79 -0.39 0.31 -1.07 -4.74 118.33 109.34 1jvr n VAL 92 Ca 0.00 -2.76 -0.28 0.00 -0.01 0.00 0.00 64.34 61.29 1jvr n VAL 92 Cb 0.00 0.71 -0.11 0.00 -0.91 0.00 0.00 33.84 33.53 1jvr n VAL 92 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1jvr n SER 93 N -0.16 3.06 -2.98 4.52 7.64 -1.26 -4.64 113.62 119.81 1jvr n SER 93 Ca 0.07 -3.23 -0.25 0.00 1.01 0.00 0.00 58.87 56.47 1jvr n SER 93 Cb 0.82 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 1jvr n SER 93 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jvr n PRO 94 N 1.76 2.50 -3.63 1.43 -0.04 -1.26 -4.71 135.00 131.06 1jvr n PRO 94 Ca 0.22 -1.55 -0.11 0.00 -0.04 0.00 0.00 63.50 62.02 1jvr n PRO 94 Cb 0.37 -2.44 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 1jvr n PRO 94 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1jvr s SER 95 N 2.73 -0.55 0.49 3.54 1.04 -1.26 -5.14 113.70 114.54 1jvr s SER 95 Ca 0.52 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1jvr s SER 95 Cb 0.16 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.29 1jvr s SER 95 CO -0.03 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 173.97 1jvr n ALA 96 N 2.19 -2.52 -1.00 5.32 0.00 -1.26 -4.96 120.51 118.27 1jvr n ALA 96 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1jvr n ALA 96 Cb 0.56 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.32 0.29 -0.42 0.00 -0.04 -1.26 -4.93 135.00 125.32 1jvr n PRO 97 Ca -0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1jvr n PRO 97 Cb 0.49 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.07 -1.37 0.55 0.00 -1.26 -5.01 120.51 109.35 1jvr n ALA 98 Ca 0.00 0.13 0.17 0.00 0.00 0.00 0.00 53.44 53.74 1jvr n ALA 98 Cb 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.67 -3.59 -1.53 0.00 0.00 -1.26 -4.91 120.51 108.55 1jvr n ALA 99 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 53.44 54.01 1jvr n ALA 99 Cb 0.19 -1.48 0.17 0.00 0.00 0.00 0.00 19.45 18.33 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 -4.09 0.49 -0.41 0.00 0.04 -1.26 -5.05 135.00 124.71 1jvr s PRO 100 Ca 0.00 0.04 0.03 0.00 0.04 0.00 0.00 61.00 61.11 1jvr s PRO 100 Cb 0.00 -1.79 0.27 0.00 0.04 0.00 0.00 34.50 33.03 1jvr s PRO 100 CO 0.00 -2.59 1.10 1.55 0.04 0.00 0.00 177.00 177.11 1jvr n VAL 101 N -3.99 0.00 -2.48 -0.36 3.14 -1.26 -4.81 118.33 108.57 1jvr n VAL 101 Ca 0.10 -1.12 -0.41 0.00 -2.96 0.00 0.00 64.34 59.95 1jvr n VAL 101 Cb 0.59 1.31 -0.04 0.00 -1.06 0.00 0.00 33.84 34.65 1jvr n VAL 101 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1jvr s PRO 102 N 0.36 4.57 0.36 1.45 0.04 -1.26 -5.02 135.00 135.49 1jvr s PRO 102 Ca 0.27 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 1jvr s PRO 102 Cb 0.24 -3.27 -0.10 0.00 0.04 0.00 0.00 34.50 31.41 1jvr s PRO 102 CO -0.16 0.03 0.92 0.99 0.04 0.00 0.00 177.00 178.82 1jvr s THR 103 N -0.18 4.34 0.11 1.26 2.01 -1.26 -4.98 115.64 116.94 1jvr s THR 103 Ca 0.50 1.59 -0.09 0.00 0.31 0.00 0.00 61.69 64.01 1jvr s THR 103 Cb -0.30 -3.81 -0.18 0.00 0.01 0.00 0.00 72.50 68.22 1jvr s THR 103 CO 0.35 -0.06 1.29 1.55 -0.69 0.00 0.00 174.62 177.06 1jvr h PRO 104 N 2.62 0.59 0.25 4.92 0.13 -1.97 -3.36 132.00 135.18 1jvr h PRO 104 Ca -0.48 -0.57 -0.01 0.00 -0.87 0.00 0.00 66.00 64.07 1jvr h PRO 104 Cb 1.19 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1jvr h PRO 104 CO 0.63 1.19 -0.12 0.82 -0.23 0.00 0.00 178.00 180.29 1jvr h ILE 105 N 0.36 0.00 -2.81 -3.56 1.08 -2.04 -3.42 117.51 107.12 1jvr h ILE 105 Ca -0.08 -0.52 -0.56 0.00 -0.39 0.00 0.00 64.86 63.30 1jvr h ILE 105 Cb 1.53 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.26 1jvr h ILE 105 CO 0.17 0.00 1.01 0.00 -0.69 0.00 0.00 178.15 178.64 1jvr h PRO 107 N 9.25 -0.30 0.00 0.00 0.13 -1.83 -3.36 132.00 135.89 1jvr h PRO 107 Ca -0.32 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1jvr h PRO 107 Cb 1.14 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jvr h PRO 107 CO 0.98 -0.12 0.00 2.41 -0.23 0.00 0.00 178.00 181.04 1jvr n THR 108 N -4.98 0.00 -4.08 1.56 -1.04 -1.26 -4.91 114.28 99.57 1jvr n THR 108 Ca -0.05 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.51 1jvr n THR 108 Cb 0.16 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.69 1jvr n THR 108 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jvr n THR 109 N -1.66 -2.41 -0.06 12.58 -2.24 -1.26 -4.84 114.28 114.40 1jvr n THR 109 Ca 0.00 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1jvr n THR 109 Cb 0.00 -2.05 -0.05 0.00 -2.10 0.00 0.00 70.33 66.13 1jvr n THR 109 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1jvr h THR 110 N -2.35 1.22 -4.24 4.28 2.02 -2.03 -3.44 112.91 108.37 1jvr h THR 110 Ca -0.68 -0.73 -0.50 0.00 0.77 0.00 0.00 66.41 65.27 1jvr h THR 110 Cb 1.33 1.36 0.07 0.00 -1.74 0.00 0.00 68.15 69.17 1jvr h THR 110 CO 0.50 0.22 0.38 -2.16 0.37 0.00 0.00 175.52 174.82 1jvr s PRO 111 N -5.17 3.26 -0.33 6.66 0.04 -1.26 -4.98 135.00 133.23 1jvr s PRO 111 Ca -0.14 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1jvr s PRO 111 Cb 0.06 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1jvr s PRO 111 CO 0.72 -0.85 1.36 -1.25 0.04 0.00 0.00 177.00 177.02 1jvr s PRO 112 N -4.38 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 128.46 1jvr s PRO 112 Ca 0.61 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 1jvr s PRO 112 Cb -0.15 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1jvr s PRO 112 CO 0.42 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.30 1jvr s PRO 113 N 4.45 3.80 0.63 0.56 0.04 -1.26 -5.01 135.00 138.22 1jvr s PRO 113 Ca 0.59 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 1jvr s PRO 113 Cb -0.16 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 1jvr s PRO 113 CO 0.27 -1.27 1.05 -1.25 0.04 0.00 0.00 177.00 175.84 1jvr s PRO 114 N 4.45 3.20 0.64 0.56 0.04 -1.26 -5.04 135.00 137.58 1jvr s PRO 114 Ca 0.59 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 1jvr s PRO 114 Cb -0.17 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 114 CO 0.27 -0.90 1.05 -1.25 0.04 0.00 0.00 177.00 176.21 1jvr s PRO 115 N -4.51 3.18 0.60 0.56 0.04 -1.26 -5.04 135.00 128.57 1jvr s PRO 115 Ca 0.61 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 1jvr s PRO 115 Cb -0.15 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 115 CO 0.45 -0.91 1.05 -1.25 0.04 0.00 0.00 177.00 176.37 1jvr s PRO 116 N -4.54 3.34 -0.07 0.56 0.04 -1.26 -5.01 135.00 128.05 1jvr s PRO 116 Ca 0.61 1.15 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 1jvr s PRO 116 Cb -0.15 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 1jvr s PRO 116 CO 0.45 -0.79 0.73 -1.00 0.04 0.00 0.00 177.00 176.44 1jvr h PRO 117 N 0.34 -0.15 -3.10 0.56 0.13 -2.07 -3.50 132.00 124.20 1jvr h PRO 117 Ca -0.46 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1jvr h PRO 117 Cb 1.21 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1jvr h PRO 117 CO 0.58 0.32 -0.84 0.43 -0.23 0.00 0.00 178.00 178.25 1jvr n SER 118 N -4.85 -7.02 0.08 1.44 7.64 -1.26 -4.84 113.62 104.80 1jvr n SER 118 Ca -0.07 1.54 -0.06 0.00 1.01 0.00 0.00 58.87 61.28 1jvr n SER 118 Cb 0.26 -4.10 -0.04 0.00 -1.01 0.00 0.00 64.21 59.33 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 -0.01 -0.29 -6.94 1.43 0.13 -2.06 -3.47 132.00 120.78 1jvr h PRO 119 Ca -0.02 0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1jvr h PRO 119 Cb 0.85 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 1jvr h PRO 119 CO 0.01 -0.09 -1.00 0.39 -0.23 0.00 0.00 178.00 177.08 1jvr n GLU 120 N -4.97 -0.48 -2.18 0.86 4.71 -1.26 -4.92 120.64 112.40 1jvr n GLU 120 Ca -0.05 0.17 -0.27 0.00 -0.01 0.00 0.00 57.16 57.00 1jvr n GLU 120 Cb 0.17 -2.26 0.16 0.00 -1.01 0.00 0.00 31.44 28.49 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jvr s ALA 121 N -3.45 2.78 0.26 0.62 0.00 -1.26 -4.95 121.76 115.76 1jvr s ALA 121 Ca 0.38 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1jvr s ALA 121 Cb -0.21 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1jvr s ALA 121 CO 0.93 -2.08 0.00 0.72 0.00 0.00 0.00 175.76 175.32 1jvr n HIS 122 N -3.43 -2.36 -3.95 0.00 8.25 -1.26 -4.90 115.22 107.58 1jvr n HIS 122 Ca 0.15 1.21 -0.37 0.00 -0.26 0.00 0.00 57.72 58.45 1jvr n HIS 122 Cb 0.60 -2.14 0.01 0.00 1.12 0.00 0.00 29.99 29.58 1jvr n HIS 122 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1jvr n VAL 123 N -3.37 -3.05 -1.64 1.59 0.24 -1.26 -4.89 118.33 105.95 1jvr n VAL 123 Ca -0.01 -0.34 -0.31 0.00 -2.04 0.00 0.00 64.34 61.63 1jvr n VAL 123 Cb 0.43 -2.61 0.04 0.00 -1.47 0.00 0.00 33.84 30.23 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 -6.32 3.00 -0.33 7.34 0.04 -1.26 -4.98 135.00 132.49 1jvr s PRO 124 Ca 0.28 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1jvr s PRO 124 Cb -0.15 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1jvr s PRO 124 CO 0.94 -1.05 1.36 -1.25 0.04 0.00 0.00 177.00 177.04 1jvr s PRO 125 N -4.92 3.80 0.00 0.56 0.04 -1.26 -4.87 135.00 128.35 1jvr s PRO 125 Ca 0.59 1.19 0.22 0.00 0.04 0.00 0.00 61.00 63.04 1jvr s PRO 125 Cb -0.14 -3.94 1.05 0.00 0.04 0.00 0.00 34.50 31.51 1jvr s PRO 125 CO 0.53 -1.27 1.72 -0.35 0.04 0.00 0.00 177.00 177.66 1jvr n PRO 126 N 7.58 0.18 -3.69 0.56 -0.04 -1.26 -4.85 135.00 133.48 1jvr n PRO 126 Ca 0.16 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1jvr n PRO 126 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1jvr n PRO 126 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jvr s TYR 127 N -2.76 -0.18 -0.57 0.54 2.02 -1.26 -5.10 117.35 110.04 1jvr s TYR 127 Ca 0.17 -0.08 0.05 0.00 -0.37 0.00 0.00 57.07 56.84 1jvr s TYR 127 Cb 0.15 0.61 0.17 0.00 -0.40 0.00 0.00 41.96 42.49 1jvr s TYR 127 CO 0.37 -0.73 0.43 0.28 -1.57 0.00 0.00 175.55 174.33 1jvr n VAL 128 N -0.42 0.34 -1.25 0.71 0.31 -1.26 -5.08 118.33 111.69 1jvr n VAL 128 Ca -0.07 -4.22 0.12 0.00 -0.01 0.00 0.00 64.34 60.16 1jvr n VAL 128 Cb 0.61 -1.94 -0.07 0.00 -0.91 0.00 0.00 33.84 31.53 1jvr n VAL 128 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1jvr n GLU 129 N 2.33 -2.59 -0.95 5.55 0.28 -1.26 -4.02 120.64 119.98 1jvr n GLU 129 Ca 0.25 2.11 -0.27 0.00 -0.16 0.00 0.00 57.16 59.09 1jvr n GLU 129 Cb 0.41 -3.10 -0.04 0.00 1.43 0.00 0.00 31.44 30.15 1jvr n GLU 129 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1jvr n PRO 130 N -3.88 2.61 0.00 3.44 -0.04 -1.26 -4.92 135.00 130.95 1jvr n PRO 130 Ca -0.07 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1jvr n PRO 130 Cb 0.50 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1jvr n PRO 130 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 131 N 3.77 0.00 -1.67 0.52 5.66 -1.26 -4.35 114.28 116.95 1jvr n THR 131 Ca 0.56 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 61.09 1jvr n THR 131 Cb 0.24 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.98 1jvr n THR 131 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1jvr n THR 132 N -0.01 0.13 -1.95 1.09 5.66 -1.26 -4.92 114.28 113.02 1jvr n THR 132 Ca 0.00 -0.02 -0.35 0.00 -3.05 0.00 0.00 64.05 60.62 1jvr n THR 132 Cb 0.00 -1.65 0.04 0.00 -1.55 0.00 0.00 70.33 67.17 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 1.64 2.75 0.26 1.09 -1.32 -1.26 -4.73 115.64 114.07 1jvr s THR 133 Ca 0.82 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 61.73 1jvr s THR 133 Cb -0.66 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 1jvr s THR 133 CO 0.40 -0.13 0.00 1.67 -2.21 0.00 0.00 174.62 174.35 1jvr n GLN 134 N -1.79 -3.47 -1.54 7.08 -0.06 -1.26 -4.59 117.38 111.74 1jvr n GLN 134 Ca 0.13 2.51 -0.41 0.00 -2.00 0.00 0.00 57.00 57.23 1jvr n GLN 134 Cb 0.50 -2.77 -0.01 0.00 -4.06 0.00 0.00 30.24 23.90 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86