#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvh n ASP 2 N 0.00 5.46 -4.81 7.83 2.03 -1.26 -4.99 116.55 120.81 3jvh n ASP 2 Ca 0.00 -3.20 -0.34 0.00 0.52 0.00 0.00 54.79 51.78 3jvh n ASP 2 Cb 0.00 -1.42 -0.05 0.00 -0.72 0.00 0.00 41.12 38.93 3jvh n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3jvh s PHE 3 N -0.50 3.17 0.01 -0.67 0.08 -1.26 -0.81 117.98 117.99 3jvh s PHE 3 Ca 0.37 1.60 -0.01 0.00 0.12 0.00 0.00 56.93 59.01 3jvh s PHE 3 Cb 0.08 -2.96 -0.01 0.00 -0.57 0.00 0.00 43.02 39.57 3jvh s PHE 3 CO 0.03 -0.45 0.01 1.03 -0.10 0.00 0.00 175.22 175.74 3jvh s ARG 4 N -3.18 0.21 0.18 0.44 1.81 -0.38 -4.96 118.95 113.07 3jvh s ARG 4 Ca 0.64 -0.33 0.08 0.00 -1.72 0.00 0.00 55.73 54.40 3jvh s ARG 4 Cb -0.13 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.41 3jvh s ARG 4 CO 0.17 -0.04 -0.02 0.96 -0.68 0.00 0.00 175.30 175.69 3jvh s ILE 5 N -0.86 3.61 0.05 1.52 -4.36 -1.26 -1.25 121.20 118.64 3jvh s ILE 5 Ca -0.09 -1.49 -0.00 0.00 -0.26 0.00 0.00 60.65 58.81 3jvh s ILE 5 Cb -0.06 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 3jvh s ILE 5 CO -0.00 -0.12 -0.03 -0.83 0.24 0.00 0.00 174.94 174.19 3jvh s GLY 6 N -2.95 0.43 0.03 6.27 0.00 0.11 -3.97 107.32 107.23 3jvh s GLY 6 Ca 0.27 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3jvh s GLY 6 CO 0.18 -1.13 -0.04 -0.86 0.00 0.00 0.00 173.10 171.25 3jvh s GLN 7 N -3.13 0.40 0.02 2.90 1.03 -1.25 -1.01 119.66 118.62 3jvh s GLN 7 Ca 0.00 -0.71 -0.00 0.00 0.04 0.00 0.00 55.36 54.69 3jvh s GLN 7 Cb 0.02 0.02 -0.02 0.00 0.03 0.00 0.00 33.01 33.06 3jvh s GLN 7 CO -0.07 -0.03 -0.02 0.20 -2.54 0.00 0.00 175.29 172.83 3jvh s GLY 8 N -1.64 0.24 -0.00 2.60 0.00 0.31 -3.79 107.32 105.04 3jvh s GLY 8 Ca -0.12 -0.60 -0.00 0.00 0.00 0.00 0.00 44.72 44.00 3jvh s GLY 8 CO -0.01 -0.67 0.00 -0.47 0.00 0.00 0.00 173.10 171.94 3jvh s TYR 9 N -1.56 0.02 0.04 1.90 6.14 -1.26 -1.31 117.35 121.31 3jvh s TYR 9 Ca -0.15 -0.03 -0.20 0.00 0.64 0.00 0.00 57.07 57.33 3jvh s TYR 9 Cb -0.09 -0.01 0.04 0.00 0.42 0.00 0.00 41.96 42.32 3jvh s TYR 9 CO -0.01 -0.02 0.45 0.34 0.64 0.00 0.00 175.55 176.95 3jvh s ASP 10 N -0.13 -0.34 -0.06 4.32 2.15 -0.50 -4.66 116.67 117.45 3jvh s ASP 10 Ca -0.01 0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.94 3jvh s ASP 10 Cb -0.01 0.44 0.02 0.00 -0.30 0.00 0.00 42.92 43.08 3jvh s ASP 10 CO -0.00 -0.66 0.27 0.54 -0.17 0.00 0.00 175.17 175.15 3jvh s VAL 11 N -2.34 0.03 0.04 1.11 0.11 -1.26 -0.72 120.40 117.38 3jvh s VAL 11 Ca -0.06 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3jvh s VAL 11 Cb -0.01 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 3jvh s VAL 11 CO -0.01 -0.14 -0.08 -1.00 -3.33 0.00 0.00 175.10 170.54 3jvh s HIS 12 N -0.54 0.70 0.42 1.54 3.76 -0.92 -5.00 115.29 115.25 3jvh s HIS 12 Ca -0.06 -0.51 -0.24 0.00 -0.15 0.00 0.00 55.06 54.09 3jvh s HIS 12 Cb -0.04 -0.42 -0.08 0.00 1.11 0.00 0.00 32.58 33.15 3jvh s HIS 12 CO 0.02 -0.08 1.18 -0.65 -0.85 0.00 0.00 174.74 174.36 3jvh s GLN 13 N -1.65 3.94 -0.30 1.40 -0.21 -1.26 -1.39 119.66 120.18 3jvh s GLN 13 Ca -0.09 1.85 -0.07 0.00 0.02 0.00 0.00 55.36 57.07 3jvh s GLN 13 Cb -0.10 -2.59 0.01 0.00 1.00 0.00 0.00 33.01 31.34 3jvh s GLN 13 CO 0.00 -0.42 0.08 -1.17 -2.12 0.00 0.00 175.29 171.66 3jvh s LEU 14 N -2.68 3.89 0.03 2.90 2.96 0.25 -1.39 118.68 124.65 3jvh s LEU 14 Ca 0.59 -0.77 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3jvh s LEU 14 Cb -0.31 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3jvh s LEU 14 CO 0.38 -0.21 -0.08 0.54 -1.32 0.00 0.00 176.35 175.67 3jvh s VAL 15 N 1.48 0.56 0.54 1.68 0.11 -0.28 -4.66 120.40 119.83 3jvh s VAL 15 Ca 0.02 -0.79 -0.22 0.00 -2.93 0.00 0.00 61.98 58.06 3jvh s VAL 15 Cb -0.17 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 3jvh s VAL 15 CO 0.02 -0.18 1.37 -2.84 -3.33 0.00 0.00 175.10 170.15 3jvh s PRO 16 N -1.05 3.18 0.00 1.54 0.02 -1.26 -0.60 135.00 136.82 3jvh s PRO 16 Ca -0.05 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3jvh s PRO 16 Cb -0.07 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.15 3jvh s PRO 16 CO 0.00 -1.17 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 3jvh n GLY 17 N 0.71 0.79 3.28 0.52 0.00 -1.26 -4.86 105.19 104.37 3jvh n GLY 17 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3jvh n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jvh s ARG 18 N -0.47 1.15 0.65 1.61 1.81 -1.25 -5.00 118.95 117.44 3jvh s ARG 18 Ca 0.00 -1.14 -0.14 0.00 -1.72 0.00 0.00 55.73 52.73 3jvh s ARG 18 Cb 0.00 -1.40 -0.01 0.00 -0.45 0.00 0.00 34.95 33.10 3jvh s ARG 18 CO 0.00 0.33 1.08 -1.25 -0.68 0.00 0.00 175.30 174.78 3jvh s PRO 19 N -1.83 2.96 -0.42 3.54 0.04 -1.26 -1.30 135.00 136.73 3jvh s PRO 19 Ca 0.06 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.18 3jvh s PRO 19 Cb -0.10 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3jvh s PRO 19 CO 0.04 -1.11 0.35 -1.17 0.04 0.00 0.00 177.00 175.15 3jvh s LEU 20 N -4.93 5.10 -0.19 -3.56 2.96 -1.25 -3.18 118.68 113.63 3jvh s LEU 20 Ca 0.64 -0.89 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3jvh s LEU 20 Cb -0.18 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.32 3jvh s LEU 20 CO 0.43 -0.51 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.13 3jvh s ILE 21 N 1.80 2.05 -0.05 6.68 1.01 -1.26 -0.37 121.20 131.07 3jvh s ILE 21 Ca 0.07 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.71 3jvh s ILE 21 Cb -0.19 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.41 3jvh s ILE 21 CO 0.11 0.47 -0.01 -0.63 0.00 0.00 0.00 174.94 174.88 3jvh s ILE 22 N 1.28 0.33 -1.43 2.92 1.01 -0.52 -4.24 121.20 120.54 3jvh s ILE 22 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 3jvh s ILE 22 Cb -0.14 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.89 3jvh s ILE 22 CO -0.12 0.21 0.29 0.61 0.00 0.00 0.00 174.94 175.94 3jvh n GLY 23 N 4.60 -0.36 3.12 6.18 0.00 -1.26 -1.65 105.19 115.81 3jvh n GLY 23 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3jvh n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvh n GLY 24 N -1.24 1.09 3.63 -0.02 0.00 -1.26 -4.40 105.19 102.98 3jvh n GLY 24 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3jvh n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jvh s VAL 25 N -3.57 5.13 -0.19 1.61 1.01 -0.66 -5.06 120.40 118.67 3jvh s VAL 25 Ca 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 3jvh s VAL 25 Cb 0.00 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 3jvh s VAL 25 CO 0.00 0.36 0.95 -0.89 0.00 0.00 0.00 175.10 175.53 3jvh s THR 26 N 1.02 4.77 -0.17 3.92 2.01 -1.26 -1.43 115.64 124.50 3jvh s THR 26 Ca 0.06 1.87 -0.02 0.00 0.31 0.00 0.00 61.69 63.92 3jvh s THR 26 Cb -0.14 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 3jvh s THR 26 CO 0.04 -0.07 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.17 3jvh s ILE 27 N 2.62 3.16 0.07 1.82 1.01 0.50 -5.01 121.20 125.37 3jvh s ILE 27 Ca 0.42 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 3jvh s ILE 27 Cb -0.16 -2.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.85 3jvh s ILE 27 CO 0.10 0.48 1.67 -2.16 0.00 0.00 0.00 174.94 175.04 3jvh s PRO 28 N 0.88 4.19 -0.07 2.79 0.04 -1.26 -4.16 135.00 137.41 3jvh s PRO 28 Ca -0.02 2.35 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 3jvh s PRO 28 Cb -0.15 -3.61 0.09 0.00 0.04 0.00 0.00 34.50 30.87 3jvh s PRO 28 CO 0.00 -0.75 0.81 -0.47 0.04 0.00 0.00 177.00 176.64 3jvh s TYR 29 N 2.70 -0.51 -1.51 0.56 5.04 -1.26 -4.99 117.35 117.39 3jvh s TYR 29 Ca 0.74 0.77 0.17 0.00 -2.44 0.00 0.00 57.07 56.32 3jvh s TYR 29 Cb -0.40 0.45 0.87 0.00 0.35 0.00 0.00 41.96 43.23 3jvh s TYR 29 CO 0.33 -0.52 1.48 -0.85 -1.34 0.00 0.00 175.55 174.64 3jvh n GLU 30 N 0.60 0.28 -4.04 4.97 0.28 -1.26 -4.78 120.64 116.70 3jvh n GLU 30 Ca -0.14 0.11 -0.09 0.00 -0.16 0.00 0.00 57.16 56.88 3jvh n GLU 30 Cb 0.59 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.87 3jvh n GLU 30 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3jvh s ARG 31 N -2.49 0.89 0.21 3.44 0.52 -1.26 -4.35 118.95 115.92 3jvh s ARG 31 Ca 0.17 -1.24 -0.03 0.00 -0.52 0.00 0.00 55.73 54.12 3jvh s ARG 31 Cb 0.11 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.84 3jvh s ARG 31 CO 0.25 -0.27 0.21 0.20 0.02 0.00 0.00 175.30 175.71 3jvh s GLY 32 N -2.96 1.29 -0.02 -3.53 0.00 0.23 -3.96 107.32 98.36 3jvh s GLY 32 Ca 0.15 -1.55 -0.23 0.00 0.00 0.00 0.00 44.72 43.09 3jvh s GLY 32 CO -0.04 -1.25 0.70 1.08 0.00 0.00 0.00 173.10 173.60 3jvh s LEU 33 N -3.14 4.38 -0.20 0.66 1.43 -1.19 -1.12 118.68 119.50 3jvh s LEU 33 Ca 0.36 1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 54.55 3jvh s LEU 33 Cb 0.05 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3jvh s LEU 33 CO 0.12 -0.03 0.50 -1.48 0.23 0.00 0.00 176.35 175.69 3jvh s LEU 34 N 0.31 4.15 0.00 1.79 0.05 -0.48 -4.64 118.68 119.87 3jvh s LEU 34 Ca 0.37 0.65 -0.01 0.00 0.05 0.00 0.00 54.13 55.19 3jvh s LEU 34 Cb -0.19 -2.67 0.01 0.00 -2.05 0.00 0.00 46.19 41.28 3jvh s LEU 34 CO 0.20 -0.15 0.07 0.61 -0.55 0.00 0.00 176.35 176.52 3jvh n GLY 35 N 3.87 1.37 0.09 -3.48 0.00 -1.26 -4.29 105.19 101.49 3jvh n GLY 35 Ca -0.05 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 3jvh n GLY 35 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3jvh h HIS 36 N 1.07 0.19 0.00 1.61 -0.00 -1.98 -3.45 115.15 112.58 3jvh h HIS 36 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 3jvh h HIS 36 Cb 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 3jvh h HIS 36 CO 0.00 0.31 0.00 -1.13 -0.00 0.00 0.00 177.93 177.11 3jvh n SER 37 N -4.88 0.00 -0.07 3.10 3.41 -1.26 -4.96 113.62 108.96 3jvh n SER 37 Ca -0.05 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3jvh n SER 37 Cb 0.13 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.26 3jvh n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jvh n ASP 38 N 0.00 0.77 -3.86 4.04 5.68 -1.26 -4.97 116.55 116.95 3jvh n ASP 38 Ca 0.00 -0.58 -0.28 0.00 -0.50 0.00 0.00 54.79 53.42 3jvh n ASP 38 Cb 0.00 0.41 0.03 0.00 -1.14 0.00 0.00 41.12 40.42 3jvh n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jvh n ALA 39 N -1.29 -1.42 -2.30 2.12 0.00 -1.26 -4.57 120.51 111.79 3jvh n ALA 39 Ca 0.06 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 3jvh n ALA 39 Cb 0.34 -4.10 -0.04 0.00 0.00 0.00 0.00 19.45 15.65 3jvh n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jvh s ASP 40 N -3.50 5.80 0.38 0.00 -1.08 -1.26 -4.82 116.67 112.18 3jvh s ASP 40 Ca 0.54 -1.02 0.07 0.00 -0.52 0.00 0.00 52.55 51.62 3jvh s ASP 40 Cb -0.27 -2.56 0.80 0.00 -1.46 0.00 0.00 42.92 39.43 3jvh s ASP 40 CO 0.82 -2.14 1.96 1.62 0.52 0.00 0.00 175.17 177.95 3jvh h VAL 41 N 7.02 0.99 -0.08 1.11 3.04 -1.89 -1.11 116.25 125.33 3jvh h VAL 41 Ca 0.13 -0.24 -0.08 0.00 -1.01 0.00 0.00 66.70 65.51 3jvh h VAL 41 Cb 1.01 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 3jvh h VAL 41 CO 1.31 0.13 -0.26 0.25 -1.01 0.00 0.00 177.57 177.99 3jvh h LEU 42 N 0.69 0.36 -0.89 3.16 5.85 -1.90 -2.33 115.31 120.25 3jvh h LEU 42 Ca 0.31 -0.62 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 3jvh h LEU 42 Cb 0.32 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3jvh h LEU 42 CO -0.10 0.92 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.79 3jvh h LEU 43 N -0.18 0.74 -0.18 2.25 3.38 -1.86 -1.80 115.31 117.65 3jvh h LEU 43 Ca -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3jvh h LEU 43 Cb 0.89 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3jvh h LEU 43 CO 0.05 0.84 0.11 0.45 0.09 0.00 0.00 178.44 179.99 3jvh h HIS 44 N 0.70 0.25 -0.82 1.13 3.86 -1.22 0.60 115.15 119.65 3jvh h HIS 44 Ca 0.13 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3jvh h HIS 44 Cb 0.51 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 3jvh h HIS 44 CO 0.03 0.21 0.54 0.00 0.86 0.00 0.00 177.93 179.57 3jvh h ALA 45 N 1.02 1.05 -0.53 2.45 0.00 -1.14 -0.48 119.26 121.63 3jvh h ALA 45 Ca 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3jvh h ALA 45 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3jvh h ALA 45 CO -0.01 0.43 0.06 0.82 0.00 0.00 0.00 179.25 180.55 3jvh h ILE 46 N 1.10 1.26 -0.20 0.00 2.04 -1.07 -1.07 117.51 119.57 3jvh h ILE 46 Ca 0.31 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.18 3jvh h ILE 46 Cb -0.10 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3jvh h ILE 46 CO -0.08 0.36 0.10 0.74 0.00 0.00 0.00 178.15 179.28 3jvh h THR 47 N 0.77 1.00 -0.74 -0.27 2.02 -0.42 -1.14 112.91 114.14 3jvh h THR 47 Ca 0.16 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3jvh h THR 47 Cb 0.45 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3jvh h THR 47 CO 0.02 0.04 0.47 0.44 0.37 0.00 0.00 175.52 176.86 3jvh h ASP 48 N 0.22 0.78 -0.60 4.18 3.45 -0.92 -1.28 116.42 122.26 3jvh h ASP 48 Ca 0.08 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 3jvh h ASP 48 Cb 0.01 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.58 3jvh h ASP 48 CO -0.05 0.55 0.29 0.00 -1.57 0.00 0.00 179.24 178.45 3jvh h ALA 49 N 1.31 1.33 -0.08 3.45 0.00 -0.72 0.11 119.26 124.65 3jvh h ALA 49 Ca 0.29 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3jvh h ALA 49 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3jvh h ALA 49 CO -0.10 0.52 -0.16 -0.07 0.00 0.00 0.00 179.25 179.43 3jvh h LEU 50 N 0.89 0.29 -1.08 0.00 3.38 -0.78 -0.82 115.31 117.20 3jvh h LEU 50 Ca 0.22 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3jvh h LEU 50 Cb 0.11 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3jvh h LEU 50 CO -0.03 0.80 0.62 -0.26 0.09 0.00 0.00 178.44 179.66 3jvh h PHE 51 N -0.20 1.16 -0.71 1.13 0.04 -1.11 -2.30 116.94 114.95 3jvh h PHE 51 Ca 0.00 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 3jvh h PHE 51 Cb 0.75 -0.39 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 3jvh h PHE 51 CO 0.11 0.69 0.18 0.78 -0.60 0.00 0.00 178.31 179.47 3jvh h GLY 52 N 1.21 1.22 1.69 -1.45 0.00 -0.59 0.40 103.07 105.55 3jvh h GLY 52 Ca 0.37 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 3jvh h GLY 52 CO -0.11 0.71 -0.21 0.00 0.00 0.00 0.00 176.54 176.93 3jvh h ALA 53 N 1.09 1.25 -0.01 3.60 0.00 -0.76 -2.33 119.26 122.10 3jvh h ALA 53 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jvh h ALA 53 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3jvh h ALA 53 CO 0.00 0.49 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 3jvh n ALA 54 N -2.48 2.78 -3.81 0.00 0.00 -0.90 -4.62 120.51 111.48 3jvh n ALA 54 Ca -0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 53.44 52.81 3jvh n ALA 54 Cb 0.36 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.62 3jvh n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jvh n ALA 55 N -0.40 -1.73 -0.50 0.00 0.00 -0.49 -4.92 120.51 112.47 3jvh n ALA 55 Ca 0.16 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.66 3jvh n ALA 55 Cb 0.32 -2.89 0.29 0.00 0.00 0.00 0.00 19.45 17.17 3jvh n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3jvh n LEU 56 N -4.44 4.04 0.00 0.00 4.77 0.01 -5.03 117.00 116.35 3jvh n LEU 56 Ca -0.17 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 3jvh n LEU 56 Cb 0.62 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3jvh n LEU 56 CO 0.72 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 3jvh n GLY 57 N 0.91 0.86 3.55 -0.72 0.00 -1.26 -4.90 105.19 103.63 3jvh n GLY 57 Ca 0.22 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 3jvh n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3jvh s ASP 58 N -4.00 0.84 0.24 1.61 1.47 -1.26 -4.05 116.67 111.51 3jvh s ASP 58 Ca 0.00 -1.47 -0.06 0.00 1.18 0.00 0.00 52.55 52.21 3jvh s ASP 58 Cb 0.00 0.71 0.42 0.00 -0.34 0.00 0.00 42.92 43.71 3jvh s ASP 58 CO 0.00 -1.39 1.72 0.40 0.68 0.00 0.00 175.17 176.57 3jvh h ILE 59 N 2.07 0.63 -0.05 2.11 2.04 -1.92 -2.05 117.51 120.33 3jvh h ILE 59 Ca -0.29 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3jvh h ILE 59 Cb 1.24 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3jvh h ILE 59 CO 0.39 0.07 -0.11 1.23 0.00 0.00 0.00 178.15 179.73 3jvh h GLY 60 N 0.37 0.08 1.26 5.37 0.00 -1.98 0.18 103.07 108.36 3jvh h GLY 60 Ca 0.39 -0.04 -0.17 0.00 0.00 0.00 0.00 47.33 47.50 3jvh h GLY 60 CO -0.42 0.04 -0.52 3.21 0.00 0.00 0.00 176.54 178.85 3jvh h ARG 61 N 0.08 0.79 0.14 4.80 2.47 -1.76 -3.35 114.38 117.54 3jvh h ARG 61 Ca 0.02 -0.48 -0.35 0.00 -1.26 0.00 0.00 59.98 57.90 3jvh h ARG 61 Cb 0.25 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 3jvh h ARG 61 CO 0.02 1.11 -1.88 0.45 0.56 0.00 0.00 179.97 180.23 3jvh h HIS 62 N 0.61 0.54 -3.97 3.04 3.86 -1.19 -3.49 115.15 114.54 3jvh h HIS 62 Ca 0.02 -0.39 -0.13 0.00 -1.16 0.00 0.00 60.37 58.70 3jvh h HIS 62 Cb 1.11 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 3jvh h HIS 62 CO 0.06 1.69 -0.10 1.19 0.86 0.00 0.00 177.93 181.63 3jvh n PHE 63 N -3.50 0.19 -0.09 2.45 3.72 0.60 -5.12 117.46 115.71 3jvh n PHE 63 Ca -0.28 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.59 3jvh n PHE 63 Cb 1.06 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 3jvh n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jvh n ALA 73 N -2.64 -1.81 -1.92 4.37 0.00 -1.26 -4.60 120.51 112.65 3jvh n ALA 73 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 3jvh n ALA 73 Cb 0.13 -0.30 0.07 0.00 0.00 0.00 0.00 19.45 19.35 3jvh n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3jvh s ASP 74 N -0.42 4.91 0.53 0.00 1.47 -1.26 -4.87 116.67 117.03 3jvh s ASP 74 Ca 0.00 0.77 0.30 0.00 1.18 0.00 0.00 52.55 54.81 3jvh s ASP 74 Cb 0.00 -1.43 1.47 0.00 -0.34 0.00 0.00 42.92 42.62 3jvh s ASP 74 CO 0.00 -1.61 2.05 0.28 0.68 0.00 0.00 175.17 176.57 3jvh h SER 75 N -0.76 0.00 -0.22 2.11 0.02 -1.98 -1.88 113.55 110.85 3jvh h SER 75 Ca -0.45 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.31 3jvh h SER 75 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3jvh h SER 75 CO 0.64 0.10 -0.57 0.03 -1.14 0.00 0.00 176.83 175.89 3jvh h ARG 76 N 0.00 0.81 -0.69 3.45 3.08 -1.98 0.05 114.38 119.11 3jvh h ARG 76 Ca -0.00 -0.53 0.01 0.00 0.07 0.00 0.00 59.98 59.53 3jvh h ARG 76 Cb 0.40 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3jvh h ARG 76 CO 0.01 1.16 0.45 0.00 -1.07 0.00 0.00 179.97 180.52 3jvh h ALA 77 N 0.73 0.87 -0.67 0.04 0.00 -1.73 -0.95 119.26 117.55 3jvh h ALA 77 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3jvh h ALA 77 Cb 1.17 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3jvh h ALA 77 CO 0.12 0.31 0.18 -0.07 0.00 0.00 0.00 179.25 179.79 3jvh h LEU 78 N 0.93 1.01 -0.61 0.00 3.38 -1.30 -1.49 115.31 117.22 3jvh h LEU 78 Ca 0.25 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3jvh h LEU 78 Cb -0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 3jvh h LEU 78 CO -0.05 0.97 0.27 0.25 0.09 0.00 0.00 178.44 179.96 3jvh h LEU 79 N 1.00 0.82 -0.66 1.67 5.85 -0.67 1.00 115.31 124.32 3jvh h LEU 79 Ca 0.21 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3jvh h LEU 79 Cb 0.34 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3jvh h LEU 79 CO -0.00 0.75 0.32 0.03 -0.34 0.00 0.00 178.44 179.20 3jvh h ARG 80 N 0.85 0.95 -0.54 1.25 3.08 -0.98 -0.79 114.38 118.19 3jvh h ARG 80 Ca 0.21 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 3jvh h ARG 80 Cb 0.16 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3jvh h ARG 80 CO -0.02 0.76 -0.12 1.49 -1.07 0.00 0.00 179.97 181.00 3jvh h GLU 81 N 0.91 1.04 -0.23 0.04 4.57 -0.96 -1.43 114.58 118.53 3jvh h GLU 81 Ca 0.23 -0.39 0.06 0.00 -1.18 0.00 0.00 59.36 58.07 3jvh h GLU 81 Cb 0.12 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 3jvh h GLU 81 CO -0.03 1.09 -0.20 0.00 -1.18 0.00 0.00 179.01 178.69 3jvh h ALA 83 N 0.90 1.43 -0.67 0.00 0.00 -0.83 -0.05 119.26 120.03 3jvh h ALA 83 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3jvh h ALA 83 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3jvh h ALA 83 CO -0.35 0.53 0.29 0.77 0.00 0.00 0.00 179.25 180.50 3jvh h SER 84 N 1.07 0.90 -0.31 0.00 0.02 -0.77 -0.94 113.55 113.51 3jvh h SER 84 Ca 0.29 -0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 3jvh h SER 84 Cb -0.11 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.19 3jvh h SER 84 CO -0.06 0.80 -0.43 0.03 -1.14 0.00 0.00 176.83 176.02 3jvh h ARG 85 N 0.93 0.85 -0.62 3.45 3.08 -0.25 -1.14 114.38 120.69 3jvh h ARG 85 Ca 0.23 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.80 3jvh h ARG 85 Cb 0.16 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3jvh h ARG 85 CO -0.02 1.13 0.40 0.28 -1.07 0.00 0.00 179.97 180.69 3jvh h VAL 86 N 0.63 1.13 -0.77 2.04 2.07 -0.98 -1.25 116.25 119.11 3jvh h VAL 86 Ca 0.03 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3jvh h VAL 86 Cb 1.03 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3jvh h VAL 86 CO 0.10 0.15 0.40 0.00 0.02 0.00 0.00 177.57 178.23 3jvh h ALA 87 N 1.24 0.99 -0.05 1.67 0.00 -0.98 -2.06 119.26 120.07 3jvh h ALA 87 Ca 0.23 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3jvh h ALA 87 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3jvh h ALA 87 CO -0.07 0.53 -0.43 1.96 0.00 0.00 0.00 179.25 181.24 3jvh h GLN 88 N 1.08 0.11 0.00 0.00 1.08 -0.86 -1.99 115.11 114.53 3jvh h GLN 88 Ca 0.27 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3jvh h GLN 88 Cb 0.08 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3jvh h GLN 88 CO -0.04 0.52 0.00 0.00 -0.95 0.00 0.00 178.83 178.36 3jvh n ALA 89 N -2.46 1.96 0.00 3.87 0.00 -0.50 -4.87 120.51 118.51 3jvh n ALA 89 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3jvh n ALA 89 Cb 0.47 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3jvh n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jvh n GLY 90 N 0.42 1.04 3.64 0.00 0.00 -0.75 -5.09 105.19 104.46 3jvh n GLY 90 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3jvh n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jvh s PHE 91 N -2.00 3.17 -0.16 1.61 0.08 -0.80 -4.37 117.98 115.51 3jvh s PHE 91 Ca 0.00 0.08 -0.08 0.00 0.12 0.00 0.00 56.93 57.05 3jvh s PHE 91 Cb 0.00 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 3jvh s PHE 91 CO 0.00 0.31 0.13 0.00 -0.10 0.00 0.00 175.22 175.56 3jvh s ALA 92 N -0.37 3.75 0.09 5.36 0.00 0.62 -3.69 121.76 127.51 3jvh s ALA 92 Ca 0.08 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 3jvh s ALA 92 Cb -0.12 -2.06 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 3jvh s ALA 92 CO 0.02 0.36 1.08 0.42 0.00 0.00 0.00 175.76 177.64 3jvh s ILE 93 N -0.24 4.25 -0.24 0.00 1.01 -1.26 -0.54 121.20 124.18 3jvh s ILE 93 Ca 0.11 1.74 -0.04 0.00 0.00 0.00 0.00 60.65 62.46 3jvh s ILE 93 Cb -0.11 -4.11 -0.14 0.00 0.01 0.00 0.00 42.46 38.10 3jvh s ILE 93 CO 0.01 0.20 -0.25 0.54 0.00 0.00 0.00 174.94 175.44 3jvh n ARG 94 N 3.29 0.57 -3.54 2.79 5.12 0.42 -4.94 116.66 120.37 3jvh n ARG 94 Ca 0.05 0.17 -0.09 0.00 -1.93 0.00 0.00 57.85 56.06 3jvh n ARG 94 Cb 0.48 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.31 3jvh n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3jvh s ASN 95 N -6.67 -0.41 -0.01 0.55 4.22 -1.08 -4.85 114.94 106.69 3jvh s ASN 95 Ca -0.33 -0.11 0.02 0.00 -2.14 0.00 0.00 52.86 50.30 3jvh s ASN 95 Cb 0.10 0.52 -0.00 0.00 1.28 0.00 0.00 41.25 43.14 3jvh s ASN 95 CO 0.51 -0.86 -0.08 0.68 -2.04 0.00 0.00 177.10 175.31 3jvh s VAL 96 N -3.47 0.64 0.11 3.54 -7.23 -0.13 -1.54 120.40 112.32 3jvh s VAL 96 Ca 0.05 -0.33 0.05 0.00 -1.81 0.00 0.00 61.98 59.94 3jvh s VAL 96 Cb -0.02 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 3jvh s VAL 96 CO -0.08 0.19 -0.12 -0.62 -0.31 0.00 0.00 175.10 174.16 3jvh s ASP 97 N -0.08 1.72 0.20 4.85 2.15 -0.37 -0.99 116.67 124.15 3jvh s ASP 97 Ca 0.02 -0.79 -0.22 0.00 0.43 0.00 0.00 52.55 51.98 3jvh s ASP 97 Cb -0.04 -0.03 0.05 0.00 -0.30 0.00 0.00 42.92 42.60 3jvh s ASP 97 CO -0.00 -0.19 0.63 -0.94 -0.17 0.00 0.00 175.17 174.50 3jvh s SER 98 N -2.37 -0.46 -0.02 -0.34 1.04 -0.93 -0.62 113.70 109.99 3jvh s SER 98 Ca 0.06 -0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.29 3jvh s SER 98 Cb -0.05 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.74 3jvh s SER 98 CO 0.02 -1.09 0.03 -0.89 0.98 0.00 0.00 173.24 172.29 3jvh s THR 99 N -3.81 -0.04 -0.19 2.02 2.01 -0.35 -0.64 115.64 114.65 3jvh s THR 99 Ca 0.04 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 3jvh s THR 99 Cb -0.02 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.34 3jvh s THR 99 CO -0.07 0.10 0.15 -0.63 -0.69 0.00 0.00 174.62 173.48 3jvh s ILE 100 N 1.10 5.40 -0.28 1.82 1.01 0.22 -0.70 121.20 129.77 3jvh s ILE 100 Ca -0.09 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 3jvh s ILE 100 Cb -0.13 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.88 3jvh s ILE 100 CO -0.03 0.45 0.02 -0.63 0.00 0.00 0.00 174.94 174.75 3jvh s ILE 101 N 0.26 3.43 -0.10 2.92 1.09 0.29 -0.25 121.20 128.85 3jvh s ILE 101 Ca 0.10 -0.95 -0.06 0.00 -1.10 0.00 0.00 60.65 58.64 3jvh s ILE 101 Cb -0.11 -2.81 0.04 0.00 -1.06 0.00 0.00 42.46 38.52 3jvh s ILE 101 CO -0.01 0.07 0.23 0.00 -0.10 0.00 0.00 174.94 175.13 3jvh s ALA 102 N 1.39 -0.54 0.27 9.38 0.00 -0.34 -1.78 121.76 130.14 3jvh s ALA 102 Ca 0.00 0.88 0.11 0.00 0.00 0.00 0.00 51.96 52.95 3jvh s ALA 102 Cb -0.18 -0.55 0.38 0.00 0.00 0.00 0.00 23.12 22.77 3jvh s ALA 102 CO -0.00 -0.17 1.62 0.37 0.00 0.00 0.00 175.76 177.58 3jvh h GLN 103 N 6.82 0.00 -2.46 0.00 5.75 -1.82 -3.35 115.11 120.04 3jvh h GLN 103 Ca -0.37 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.11 3jvh h GLN 103 Cb 1.17 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.56 3jvh h GLN 103 CO 0.38 0.60 0.24 0.00 -2.65 0.00 0.00 178.83 177.40 3jvh s ALA 104 N -3.63 -1.70 0.83 3.38 0.00 -1.26 -4.88 121.76 114.50 3jvh s ALA 104 Ca -0.01 0.93 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 3jvh s ALA 104 Cb 0.13 0.41 0.10 0.00 0.00 0.00 0.00 23.12 23.76 3jvh s ALA 104 CO 0.76 -0.57 0.65 -0.35 0.00 0.00 0.00 175.76 176.25 3jvh n PRO 105 N 0.23 -0.33 -2.01 0.00 -0.04 -1.26 -5.06 135.00 126.53 3jvh n PRO 105 Ca -0.17 -1.27 -0.42 0.00 -0.04 0.00 0.00 63.50 61.60 3jvh n PRO 105 Cb 0.61 -0.59 -0.03 0.00 -0.04 0.00 0.00 33.50 33.45 3jvh n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3jvh s LYS 106 N -4.29 4.25 -0.02 0.54 -0.14 -1.26 -4.92 119.74 113.89 3jvh s LYS 106 Ca 0.39 2.26 0.19 0.00 -1.36 0.00 0.00 55.97 57.45 3jvh s LYS 106 Cb -0.01 -3.21 -0.28 0.00 -1.68 0.00 0.00 37.83 32.64 3jvh s LYS 106 CO 0.27 -0.56 0.45 1.28 -0.76 0.00 0.00 175.35 176.03 3jvh n LEU 107 N 4.08 0.10 -0.31 3.17 4.77 -1.26 -4.60 117.00 122.95 3jvh n LEU 107 Ca 0.13 -0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3jvh n LEU 107 Cb 0.40 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.75 3jvh n LEU 107 CO 0.61 0.03 0.86 0.00 -1.33 0.00 0.00 177.39 177.55 3jvh h ALA 108 N 1.82 1.14 0.00 -1.18 0.00 -1.97 -0.07 119.26 119.00 3jvh h ALA 108 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3jvh h ALA 108 Cb 0.80 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3jvh h ALA 108 CO 0.00 -0.51 -0.01 -1.35 0.00 0.00 0.00 179.25 177.38 3jvh h PRO 109 N 0.10 0.00 -0.02 0.00 0.11 -2.02 -2.90 132.00 127.27 3jvh h PRO 109 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3jvh h PRO 109 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jvh h PRO 109 CO -0.77 0.01 -0.07 0.72 -0.21 0.00 0.00 178.00 177.69 3jvh n HIS 110 N -3.35 0.00 -0.03 0.65 8.25 -0.05 -4.63 115.22 116.07 3jvh n HIS 110 Ca -0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 3jvh n HIS 110 Cb 0.10 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 3jvh n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3jvh h ILE 111 N 3.36 1.08 -0.69 1.59 1.08 -1.41 -1.30 117.51 121.22 3jvh h ILE 111 Ca 0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3jvh h ILE 111 Cb 0.75 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 3jvh h ILE 111 CO 0.00 0.08 0.41 0.44 -0.69 0.00 0.00 178.15 178.38 3jvh h ASP 112 N 0.15 0.83 -0.46 1.72 3.32 -1.82 0.34 116.42 120.50 3jvh h ASP 112 Ca 0.05 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3jvh h ASP 112 Cb 0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3jvh h ASP 112 CO -0.01 0.64 0.12 0.00 -1.72 0.00 0.00 179.24 178.28 3jvh h ALA 113 N 1.50 0.60 -0.34 3.45 0.00 -1.77 0.87 119.26 123.57 3jvh h ALA 113 Ca 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3jvh h ALA 113 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3jvh h ALA 113 CO -0.05 0.28 0.14 0.52 0.00 0.00 0.00 179.25 180.14 3jvh h MET 114 N 0.61 0.50 -0.58 0.00 2.86 -0.64 -1.22 114.93 116.47 3jvh h MET 114 Ca 0.15 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3jvh h MET 114 Cb 0.30 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3jvh h MET 114 CO -0.00 0.49 0.37 0.00 1.06 0.00 0.00 176.91 178.83 3jvh h ARG 115 N 0.40 0.71 -0.49 1.72 3.08 -0.77 -0.08 114.38 118.96 3jvh h ARG 115 Ca 0.11 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.14 3jvh h ARG 115 Cb 0.18 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3jvh h ARG 115 CO -0.01 0.47 0.29 0.00 -1.07 0.00 0.00 179.97 179.65 3jvh h ALA 116 N 1.23 0.62 -0.40 0.04 0.00 -0.68 0.76 119.26 120.84 3jvh h ALA 116 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3jvh h ALA 116 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3jvh h ALA 116 CO -0.07 -0.00 0.20 -0.91 0.00 0.00 0.00 179.25 178.46 3jvh h ASN 117 N 0.59 0.52 -0.13 0.00 2.35 -0.75 -1.87 115.58 116.29 3jvh h ASN 117 Ca 0.19 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3jvh h ASN 117 Cb 0.00 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 3jvh h ASN 117 CO -0.08 0.49 -0.02 0.40 -1.65 0.00 0.00 177.43 176.58 3jvh h ILE 118 N 0.51 1.28 -0.86 2.81 2.04 -0.84 -1.70 117.51 120.74 3jvh h ILE 118 Ca 0.14 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3jvh h ILE 118 Cb 0.11 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3jvh h ILE 118 CO -0.02 0.27 0.56 0.00 0.00 0.00 0.00 178.15 178.96 3jvh h ALA 119 N 0.72 1.12 -0.01 1.87 0.00 -0.84 -1.17 119.26 120.95 3jvh h ALA 119 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jvh h ALA 119 Cb 0.42 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3jvh h ALA 119 CO 0.01 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 179.60 3jvh h ALA 120 N 1.34 -0.08 -0.01 0.00 0.00 -1.22 -0.29 119.26 119.00 3jvh h ALA 120 Ca 0.33 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3jvh h ALA 120 Cb -0.03 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3jvh h ALA 120 CO -0.10 -0.57 -0.20 -0.44 0.00 0.00 0.00 179.25 177.93 3jvh h ASP 121 N -0.13 0.02 -0.02 0.00 3.32 -0.87 -2.51 116.42 116.22 3jvh h ASP 121 Ca 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3jvh h ASP 121 Cb 0.17 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3jvh h ASP 121 CO -0.09 0.23 -0.01 0.18 -1.72 0.00 0.00 179.24 177.83 3jvh n LEU 122 N -4.29 2.45 -3.91 1.55 4.77 -0.48 -4.43 117.00 112.67 3jvh n LEU 122 Ca -0.02 -0.82 -0.26 0.00 -0.03 0.00 0.00 56.01 54.88 3jvh n LEU 122 Cb 0.27 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3jvh n LEU 122 CO 0.37 0.41 -0.12 -0.67 -1.33 0.00 0.00 177.39 176.05 3jvh n ASP 123 N 0.90 -1.44 -4.58 -1.43 2.03 -0.29 -4.98 116.55 106.76 3jvh n ASP 123 Ca 0.16 -0.93 -0.30 0.00 0.52 0.00 0.00 54.79 54.24 3jvh n ASP 123 Cb 0.51 -3.41 -0.10 0.00 -0.72 0.00 0.00 41.12 37.40 3jvh n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jvh s LEU 124 N -6.96 3.05 0.51 -2.67 1.43 -0.28 -5.04 118.68 108.72 3jvh s LEU 124 Ca 0.17 -0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 3jvh s LEU 124 Cb -0.09 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 3jvh s LEU 124 CO 0.86 0.21 1.26 -2.65 0.23 0.00 0.00 176.35 176.26 3jvh n PRO 125 N 0.96 1.65 -0.21 1.29 -0.02 -1.26 -4.58 135.00 132.83 3jvh n PRO 125 Ca -0.14 0.60 0.15 0.00 -2.02 0.00 0.00 63.50 62.09 3jvh n PRO 125 Cb 0.52 -2.43 0.47 0.00 -0.02 0.00 0.00 33.50 32.04 3jvh n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3jvh h LEU 126 N 1.53 0.48 0.00 2.45 5.85 -1.94 -0.81 115.31 122.88 3jvh h LEU 126 Ca -0.49 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3jvh h LEU 126 Cb 1.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3jvh h LEU 126 CO 0.57 0.24 0.00 -0.90 -0.34 0.00 0.00 178.44 178.01 3jvh n ASP 127 N -4.51 0.00 -0.57 1.25 5.75 -1.26 -2.08 116.55 115.14 3jvh n ASP 127 Ca 0.16 -1.50 0.05 0.00 -0.01 0.00 0.00 54.79 53.49 3jvh n ASP 127 Cb 0.54 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.76 3jvh n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jvh n ARG 128 N -0.60 2.85 -4.42 0.11 1.74 -0.31 -4.96 116.66 111.07 3jvh n ARG 128 Ca 0.04 -1.98 -0.26 0.00 -0.77 0.00 0.00 57.85 54.88 3jvh n ARG 128 Cb 0.02 -1.24 -0.17 0.00 -1.02 0.00 0.00 32.46 30.05 3jvh n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jvh s VAL 129 N -1.00 1.20 -0.00 1.55 1.01 -0.88 -0.96 120.40 121.32 3jvh s VAL 129 Ca 0.21 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3jvh s VAL 129 Cb 0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3jvh s VAL 129 CO 0.14 0.38 -0.10 0.21 0.00 0.00 0.00 175.10 175.73 3jvh s ASN 130 N 0.95 1.21 -0.07 3.32 2.47 -0.16 -4.98 114.94 117.69 3jvh s ASN 130 Ca -0.09 -0.22 0.02 0.00 0.42 0.00 0.00 52.86 52.99 3jvh s ASN 130 Cb -0.15 -0.12 0.02 0.00 -1.45 0.00 0.00 41.25 39.54 3jvh s ASN 130 CO 0.00 0.10 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.69 3jvh s VAL 131 N -0.34 1.00 0.24 -5.21 1.01 -1.26 -2.19 120.40 113.64 3jvh s VAL 131 Ca 0.03 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.73 3jvh s VAL 131 Cb -0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3jvh s VAL 131 CO -0.00 0.33 -0.07 -0.54 0.00 0.00 0.00 175.10 174.82 3jvh s LYS 132 N 0.84 2.12 -0.05 2.72 1.02 0.18 -4.97 119.74 121.61 3jvh s LYS 132 Ca -0.12 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.49 3jvh s LYS 132 Cb -0.15 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3jvh s LYS 132 CO 0.02 0.39 -0.12 0.00 -0.92 0.00 0.00 175.35 174.72 3jvh s ALA 133 N -2.12 1.14 0.04 5.17 0.00 -1.26 -0.61 121.76 124.11 3jvh s ALA 133 Ca 0.29 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3jvh s ALA 133 Cb -0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 3jvh s ALA 133 CO 0.17 0.15 -0.06 0.15 0.00 0.00 0.00 175.76 176.17 3jvh s LYS 134 N 0.39 0.48 0.50 0.00 -0.14 0.65 -4.95 119.74 116.67 3jvh s LYS 134 Ca -0.08 -0.77 0.07 0.00 -1.36 0.00 0.00 55.97 53.83 3jvh s LYS 134 Cb -0.12 -0.12 0.05 0.00 -1.68 0.00 0.00 37.83 35.95 3jvh s LYS 134 CO 0.02 0.00 0.69 0.95 -0.76 0.00 0.00 175.35 176.26 3jvh s THR 135 N -1.68 2.62 -0.23 2.17 -4.23 -1.26 -1.20 115.64 111.83 3jvh s THR 135 Ca -0.10 -0.94 0.14 0.00 -1.18 0.00 0.00 61.69 59.62 3jvh s THR 135 Cb -0.08 -2.68 0.70 0.00 1.34 0.00 0.00 72.50 71.78 3jvh s THR 135 CO -0.01 0.00 1.64 -3.20 -0.54 0.00 0.00 174.62 172.51 3jvh n ASN 136 N -2.10 4.85 -4.03 3.99 5.15 -1.26 -4.84 115.26 117.01 3jvh n ASN 136 Ca 0.11 -3.04 -0.33 0.00 -0.60 0.00 0.00 54.58 50.72 3jvh n ASN 136 Cb 0.60 -0.64 0.01 0.00 -0.53 0.00 0.00 39.78 39.21 3jvh n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3jvh n GLU 137 N 0.04 -4.58 -1.34 1.20 -0.58 -1.26 -1.41 120.64 112.70 3jvh n GLU 137 Ca 0.28 0.51 -0.12 0.00 -0.42 0.00 0.00 57.16 57.41 3jvh n GLU 137 Cb 1.12 -5.34 -0.05 0.00 -0.57 0.00 0.00 31.44 26.59 3jvh n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3jvh n LYS 138 N -4.56 -1.24 -3.71 3.49 5.02 -1.26 -4.98 118.16 110.92 3jvh n LYS 138 Ca 0.06 0.88 -0.36 0.00 -2.02 0.00 0.00 58.31 56.87 3jvh n LYS 138 Cb 0.51 -5.06 -0.07 0.00 -0.02 0.00 0.00 35.03 30.39 3jvh n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jvh s LEU 139 N -2.69 4.29 0.00 -0.35 1.43 -0.50 -4.59 118.68 116.28 3jvh s LEU 139 Ca 0.00 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3jvh s LEU 139 Cb 0.00 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3jvh s LEU 139 CO 0.00 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.43 3jvh n GLY 140 N 2.92 -1.83 0.33 -3.19 0.00 -1.26 -1.05 105.19 101.10 3jvh n GLY 140 Ca -0.16 -1.30 0.09 0.00 0.00 0.00 0.00 46.02 44.64 3jvh n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3jvh h TYR 141 N -0.24 0.41 -0.26 1.61 -0.00 -1.97 -0.59 116.97 115.93 3jvh h TYR 141 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.71 3jvh h TYR 141 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 36.73 36.82 3jvh h TYR 141 CO 0.00 0.23 0.02 -0.07 -0.00 0.00 0.00 178.16 178.33 3jvh h LEU 142 N 0.41 0.43 -1.86 0.10 3.38 -1.81 0.11 115.31 116.06 3jvh h LEU 142 Ca 0.20 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3jvh h LEU 142 Cb 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3jvh h LEU 142 CO -0.05 0.61 -0.09 1.23 0.09 0.00 0.00 178.44 180.23 3jvh h GLY 143 N 0.23 0.00 -1.49 0.83 0.00 0.31 -1.93 103.07 101.02 3jvh h GLY 143 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3jvh h GLY 143 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.09 3jvh n ARG 144 N -3.42 2.09 -1.88 4.80 1.74 -0.37 -4.31 116.66 115.31 3jvh n ARG 144 Ca -0.01 -1.64 -0.08 0.00 -0.77 0.00 0.00 57.85 55.35 3jvh n ARG 144 Cb 0.25 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 3jvh n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jvh n GLY 145 N 1.30 0.32 0.02 -0.13 0.00 -0.72 -4.92 105.19 101.06 3jvh n GLY 145 Ca 0.17 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.71 3jvh n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jvh n GLU 146 N -2.05 0.13 -3.77 1.61 1.02 0.36 -4.65 120.64 113.29 3jvh n GLU 146 Ca -0.09 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.03 3jvh n GLU 146 Cb 0.48 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 3jvh n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3jvh s GLY 147 N -3.29 -0.21 -0.04 0.62 0.00 -1.24 -0.58 107.32 102.58 3jvh s GLY 147 Ca 0.08 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.89 3jvh s GLY 147 CO 0.73 -0.01 -0.09 -0.42 0.00 0.00 0.00 173.10 173.31 3jvh s ILE 148 N -3.37 0.84 0.09 0.90 1.01 -0.49 -4.59 121.20 115.59 3jvh s ILE 148 Ca 0.12 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.46 3jvh s ILE 148 Cb -0.02 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3jvh s ILE 148 CO 0.03 0.27 -0.00 -0.70 0.00 0.00 0.00 174.94 174.54 3jvh s GLU 149 N 0.39 2.55 0.03 2.79 2.12 -0.73 -2.17 118.70 123.68 3jvh s GLU 149 Ca -0.07 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.46 3jvh s GLU 149 Cb -0.11 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.72 3jvh s GLU 149 CO 0.01 0.54 -0.11 0.00 -0.54 0.00 0.00 175.26 175.16 3jvh s ALA 150 N -1.31 0.88 0.01 6.30 0.00 0.10 -0.54 121.76 127.21 3jvh s ALA 150 Ca 0.26 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.56 3jvh s ALA 150 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3jvh s ALA 150 CO 0.18 0.13 -0.16 -0.65 0.00 0.00 0.00 175.76 175.27 3jvh s GLN 151 N -1.10 1.17 0.02 0.00 -0.21 0.12 -1.41 119.66 118.26 3jvh s GLN 151 Ca -0.02 -0.68 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 3jvh s GLN 151 Cb -0.07 -1.18 -0.02 0.00 1.00 0.00 0.00 33.01 32.74 3jvh s GLN 151 CO 0.01 0.31 0.01 0.00 -2.12 0.00 0.00 175.29 173.49 3jvh s ALA 152 N -0.58 0.03 -0.01 6.09 0.00 -0.43 -1.21 121.76 125.65 3jvh s ALA 152 Ca 0.05 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.54 3jvh s ALA 152 Cb -0.07 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 3jvh s ALA 152 CO 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 175.76 175.48 3jvh s ALA 153 N -1.48 0.89 -0.00 0.00 0.00 0.21 -0.53 121.76 120.84 3jvh s ALA 153 Ca -0.15 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3jvh s ALA 153 Cb -0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 3jvh s ALA 153 CO -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 175.76 175.92 3jvh s ALA 154 N -0.22 0.37 -0.14 0.00 0.00 -0.18 -1.24 121.76 120.36 3jvh s ALA 154 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 3jvh s ALA 154 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3jvh s ALA 154 CO -0.00 0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.53 3jvh s LEU 155 N -0.05 2.65 0.35 0.00 2.96 -0.59 -0.72 118.68 123.29 3jvh s LEU 155 Ca 0.01 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 3jvh s LEU 155 Cb -0.02 -1.60 -0.06 0.00 0.50 0.00 0.00 46.19 45.00 3jvh s LEU 155 CO -0.00 0.14 0.05 0.68 -1.32 0.00 0.00 176.35 175.89 3jvh s VAL 156 N 0.51 1.36 -0.03 1.68 -7.23 -0.38 -0.43 120.40 115.87 3jvh s VAL 156 Ca -0.09 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.05 3jvh s VAL 156 Cb -0.16 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 33.98 3jvh s VAL 156 CO 0.04 0.00 0.08 0.54 -0.31 0.00 0.00 175.10 175.45 3jvh s VAL 157 N -3.14 0.01 0.00 1.32 0.11 0.29 -1.25 120.40 117.75 3jvh s VAL 157 Ca 0.35 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 3jvh s VAL 157 Cb 0.09 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.79 3jvh s VAL 157 CO 0.16 -0.05 0.00 -2.11 -3.33 0.00 0.00 175.10 169.77