#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vh5 s LEU 1 N 0.00 3.86 0.15 1.04 2.96 -1.26 -3.88 118.68 121.55 1vh5 s LEU 1 Ca 0.00 0.40 0.21 0.00 -0.22 0.00 0.00 54.13 54.53 1vh5 s LEU 1 Cb 0.00 -3.37 -0.06 0.00 0.50 0.00 0.00 46.19 43.26 1vh5 s LEU 1 CO 0.00 -1.08 0.94 2.30 -1.32 0.00 0.00 176.35 177.19 1vh5 n ILE 2 N 6.46 0.66 -2.49 6.68 -5.35 -0.42 -4.96 119.36 119.94 1vh5 n ILE 2 Ca 0.09 -0.57 -0.36 0.00 -0.27 0.00 0.00 62.75 61.64 1vh5 n ILE 2 Cb 0.48 -0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 37.98 1vh5 n ILE 2 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 1vh5 s TRP 3 N -3.30 3.17 -0.87 4.28 0.52 -1.26 -4.76 118.94 116.72 1vh5 s TRP 3 Ca -0.02 1.62 0.17 0.00 0.02 0.00 0.00 56.10 57.89 1vh5 s TRP 3 Cb 0.10 -3.16 -0.16 0.00 -1.15 0.00 0.00 33.47 29.09 1vh5 s TRP 3 CO 0.81 -0.80 0.73 1.63 0.02 0.00 0.00 176.95 179.33 1vh5 n LYS 4 N -0.24 1.50 -4.44 4.98 5.02 0.59 -4.97 118.16 120.60 1vh5 n LYS 4 Ca 0.06 -0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.04 1vh5 n LYS 4 Cb 0.50 -1.29 -0.13 0.00 -0.02 0.00 0.00 35.03 34.08 1vh5 n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vh5 s ARG 5 N -2.52 1.08 -0.08 1.97 0.52 -0.96 -4.89 118.95 114.07 1vh5 s ARG 5 Ca 0.07 -0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 54.34 1vh5 s ARG 5 Cb 0.13 -1.13 -0.05 0.00 0.52 0.00 0.00 34.95 34.42 1vh5 s ARG 5 CO 0.66 0.28 0.27 0.21 0.02 0.00 0.00 175.30 176.75 1vh5 s LYS 6 N -1.17 3.78 -0.06 3.54 2.47 -1.26 -4.97 119.74 122.06 1vh5 s LYS 6 Ca 0.03 0.13 -0.09 0.00 -1.56 0.00 0.00 55.97 54.49 1vh5 s LYS 6 Cb -0.08 -3.24 0.02 0.00 -1.46 0.00 0.00 37.83 33.06 1vh5 s LYS 6 CO 0.01 0.65 0.22 -1.50 0.16 0.00 0.00 175.35 174.90 1vh5 s ILE 7 N -0.80 0.02 0.56 5.43 2.07 -1.26 -5.14 121.20 122.08 1vh5 s ILE 7 Ca 0.19 -0.20 -0.07 0.00 -1.41 0.00 0.00 60.65 59.15 1vh5 s ILE 7 Cb -0.14 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 1vh5 s ILE 7 CO 0.08 -0.11 0.90 0.42 -1.91 0.00 0.00 174.94 174.32 1vh5 s THR 8 N -0.37 4.47 0.28 4.00 -4.23 -1.26 -4.97 115.64 113.56 1vh5 s THR 8 Ca -0.05 0.37 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 1vh5 s THR 8 Cb -0.03 -3.75 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1vh5 s THR 8 CO 0.01 -0.83 1.92 -0.07 -0.54 0.00 0.00 174.62 175.11 1vh5 h LEU 9 N -0.08 1.02 -0.19 4.79 3.38 -1.99 -1.90 115.31 120.34 1vh5 h LEU 9 Ca -0.46 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.55 1vh5 h LEU 9 Cb 1.22 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1vh5 h LEU 9 CO 0.62 0.70 -0.10 -0.33 0.09 0.00 0.00 178.44 179.42 1vh5 h GLU 10 N 1.18 -0.08 -0.09 1.13 5.08 -1.95 -0.25 114.58 119.61 1vh5 h GLU 10 Ca 0.37 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1vh5 h GLU 10 Cb 0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1vh5 h GLU 10 CO -0.11 -0.05 -0.53 0.00 -1.00 0.00 0.00 179.01 177.32 1vh5 h ALA 11 N 1.08 0.95 0.03 3.43 0.00 -1.88 -1.03 119.26 121.83 1vh5 h ALA 11 Ca 0.11 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1vh5 h ALA 11 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vh5 h ALA 11 CO -0.25 0.68 -0.01 1.25 0.00 0.00 0.00 179.25 180.92 1vh5 h LEU 12 N 0.19 -0.03 -1.34 0.00 5.85 -1.14 -2.96 115.31 115.88 1vh5 h LEU 12 Ca 0.00 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1vh5 h LEU 12 Cb 0.99 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1vh5 h LEU 12 CO 0.08 0.03 -0.31 0.78 -0.34 0.00 0.00 178.44 178.69 1vh5 h ASN 13 N -0.09 0.00 0.37 1.25 2.35 -0.85 -2.53 115.58 116.08 1vh5 h ASN 13 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1vh5 h ASN 13 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1vh5 h ASN 13 CO 0.01 0.31 -0.08 0.00 -1.65 0.00 0.00 177.43 176.01 1vh5 h ALA 14 N 1.69 1.22 -0.12 -0.83 0.00 -1.02 -3.08 119.26 117.13 1vh5 h ALA 14 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1vh5 h ALA 14 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1vh5 h ALA 14 CO 0.04 0.10 -0.06 0.52 0.00 0.00 0.00 179.25 179.85 1vh5 h MET 15 N 0.00 0.17 0.00 0.00 2.86 -1.41 -3.02 114.93 113.52 1vh5 h MET 15 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1vh5 h MET 15 Cb 0.29 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1vh5 h MET 15 CO 0.01 0.24 0.00 0.41 1.06 0.00 0.00 176.91 178.63 1vh5 n GLY 16 N -1.14 -1.49 3.69 8.32 0.00 -1.16 -4.84 105.19 108.56 1vh5 n GLY 16 Ca -0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1vh5 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vh5 s GLU 17 N -3.03 4.19 0.00 1.61 2.12 -1.15 -1.06 118.70 121.39 1vh5 s GLU 17 Ca 0.12 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.79 1vh5 s GLU 17 Cb 0.17 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1vh5 s GLU 17 CO 0.52 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 1vh5 n GLY 18 N 4.02 0.49 0.66 -1.50 0.00 -1.26 -4.97 105.19 102.62 1vh5 n GLY 18 Ca 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1vh5 n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vh5 n ASN 19 N 0.40 0.38 -0.25 1.61 0.23 -0.86 -5.01 115.26 111.76 1vh5 n ASN 19 Ca 0.00 -1.44 -0.03 0.00 -0.53 0.00 0.00 54.58 52.58 1vh5 n ASN 19 Cb 0.00 0.28 0.14 0.00 -2.08 0.00 0.00 39.78 38.11 1vh5 n ASN 19 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1vh5 h MET 20 N 0.00 1.09 -0.47 -3.83 1.85 -1.96 -0.37 114.93 111.24 1vh5 h MET 20 Ca -0.05 -0.16 0.03 0.00 -0.61 0.00 0.00 59.70 58.91 1vh5 h MET 20 Cb 0.24 -0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.04 1vh5 h MET 20 CO 0.08 0.85 0.25 0.28 -0.40 0.00 0.00 176.91 177.97 1vh5 h VAL 21 N 1.08 0.99 -0.30 -5.77 2.07 -1.95 -0.68 116.25 111.70 1vh5 h VAL 21 Ca 0.26 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1vh5 h VAL 21 Cb 0.12 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1vh5 h VAL 21 CO -0.03 0.09 0.05 1.23 0.02 0.00 0.00 177.57 178.93 1vh5 h GLY 22 N 0.50 0.54 0.56 2.17 0.00 -0.35 -1.44 103.07 105.05 1vh5 h GLY 22 Ca 0.20 -0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.26 1vh5 h GLY 22 CO -0.12 0.33 0.55 -2.75 0.00 0.00 0.00 176.54 174.55 1vh5 h PHE 23 N 0.32 1.00 -0.03 5.60 3.57 -0.70 -1.85 116.94 124.85 1vh5 h PHE 23 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1vh5 h PHE 23 Cb 0.35 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1vh5 h PHE 23 CO 0.02 0.43 0.00 1.28 -2.23 0.00 0.00 178.31 177.82 1vh5 n LEU 24 N -4.66 1.51 -3.38 0.59 4.77 -0.30 -4.94 117.00 110.60 1vh5 n LEU 24 Ca 0.15 -0.52 -0.23 0.00 -0.03 0.00 0.00 56.01 55.38 1vh5 n LEU 24 Cb 0.27 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1vh5 n LEU 24 CO 0.28 0.26 0.16 -0.67 -1.33 0.00 0.00 177.39 176.09 1vh5 n ASP 25 N 0.19 -6.32 -4.71 -1.43 4.64 -0.70 -4.35 116.55 103.86 1vh5 n ASP 25 Ca 0.19 -0.45 -0.42 0.00 -1.38 0.00 0.00 54.79 52.73 1vh5 n ASP 25 Cb 0.35 -5.02 -0.03 0.00 -1.04 0.00 0.00 41.12 35.39 1vh5 n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1vh5 s ILE 26 N -3.27 3.63 -0.12 5.18 1.01 -0.59 -4.39 121.20 122.65 1vh5 s ILE 26 Ca 0.48 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1vh5 s ILE 26 Cb -0.21 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.53 1vh5 s ILE 26 CO 0.60 0.09 -0.11 -0.13 0.00 0.00 0.00 174.94 175.39 1vh5 s ARG 27 N 1.11 1.87 0.16 2.79 1.81 -0.20 -4.74 118.95 121.76 1vh5 s ARG 27 Ca 0.62 -0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 53.93 1vh5 s ARG 27 Cb -0.34 -1.78 -0.08 0.00 -0.45 0.00 0.00 34.95 32.30 1vh5 s ARG 27 CO 0.30 -0.22 1.34 -0.06 -0.68 0.00 0.00 175.30 175.98 1vh5 s PHE 28 N 1.49 3.26 -0.02 -0.53 0.40 -1.26 -0.35 117.98 120.97 1vh5 s PHE 28 Ca 0.02 1.13 0.02 0.00 -0.60 0.00 0.00 56.93 57.50 1vh5 s PHE 28 Cb -0.13 -3.63 -0.03 0.00 0.51 0.00 0.00 43.02 39.74 1vh5 s PHE 28 CO -0.08 -2.05 0.02 0.39 0.70 0.00 0.00 175.22 174.21 1vh5 n GLU 29 N 3.14 2.55 -3.67 0.44 -0.58 0.08 -4.93 120.64 117.67 1vh5 n GLU 29 Ca 0.08 -0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.73 1vh5 n GLU 29 Cb 0.43 -1.05 -0.09 0.00 -0.57 0.00 0.00 31.44 30.15 1vh5 n GLU 29 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1vh5 s HIS 30 N -2.08 -0.85 -0.36 -0.32 5.04 -1.10 -4.99 115.29 110.62 1vh5 s HIS 30 Ca -0.01 1.70 -0.03 0.00 -1.54 0.00 0.00 55.06 55.18 1vh5 s HIS 30 Cb 0.01 0.45 0.08 0.00 0.04 0.00 0.00 32.58 33.16 1vh5 s HIS 30 CO 0.09 -0.45 0.12 0.42 -2.34 0.00 0.00 174.74 172.59 1vh5 s ILE 31 N 1.68 3.25 0.76 0.89 1.01 -1.26 -0.93 121.20 126.60 1vh5 s ILE 31 Ca -0.09 -1.72 -0.04 0.00 0.00 0.00 0.00 60.65 58.80 1vh5 s ILE 31 Cb -0.08 -3.07 0.16 0.00 0.01 0.00 0.00 42.46 39.49 1vh5 s ILE 31 CO -0.16 -0.44 1.04 0.61 0.00 0.00 0.00 174.94 175.99 1vh5 n GLY 32 N 4.63 0.09 0.29 6.18 0.00 -0.30 -4.97 105.19 111.10 1vh5 n GLY 32 Ca -0.07 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.06 1vh5 n GLY 32 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vh5 h ASP 33 N -0.86 0.28 0.00 1.61 3.45 -2.00 -3.33 116.42 115.57 1vh5 h ASP 33 Ca -0.34 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.11 1vh5 h ASP 33 Cb 1.16 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1vh5 h ASP 33 CO 0.33 0.20 -0.39 -0.90 -1.57 0.00 0.00 179.24 176.91 1vh5 n ASP 34 N -4.50 0.00 -3.92 6.45 3.85 -1.25 -1.30 116.55 115.88 1vh5 n ASP 34 Ca 0.01 -1.78 -0.09 0.00 -0.71 0.00 0.00 54.79 52.22 1vh5 n ASP 34 Cb 0.07 -0.16 -0.09 0.00 -1.35 0.00 0.00 41.12 39.60 1vh5 n ASP 34 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1vh5 s THR 35 N 0.00 0.14 -0.04 2.12 -4.23 -1.25 -4.38 115.64 107.99 1vh5 s THR 35 Ca 0.00 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1vh5 s THR 35 Cb 0.00 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.85 1vh5 s THR 35 CO 0.00 -0.62 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.18 1vh5 s LEU 36 N -2.28 1.46 0.01 4.79 2.96 -0.60 -1.15 118.68 123.86 1vh5 s LEU 36 Ca -0.03 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 1vh5 s LEU 36 Cb 0.00 -0.51 -0.02 0.00 0.50 0.00 0.00 46.19 46.16 1vh5 s LEU 36 CO -0.06 -0.02 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.11 1vh5 s GLU 37 N 0.75 1.73 0.03 1.98 2.02 -0.10 -1.06 118.70 124.04 1vh5 s GLU 37 Ca -0.11 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 53.98 1vh5 s GLU 37 Cb -0.14 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 1vh5 s GLU 37 CO 0.01 0.47 0.02 0.00 0.02 0.00 0.00 175.26 175.77 1vh5 s ALA 38 N -0.63 0.09 0.34 5.21 0.00 -0.79 -0.74 121.76 125.25 1vh5 s ALA 38 Ca 0.09 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.50 1vh5 s ALA 38 Cb -0.09 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1vh5 s ALA 38 CO 0.00 -0.24 0.05 0.95 0.00 0.00 0.00 175.76 176.52 1vh5 s THR 39 N -2.15 2.70 -0.15 0.00 -4.23 0.52 -0.39 115.64 111.93 1vh5 s THR 39 Ca -0.09 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 1vh5 s THR 39 Cb -0.04 -2.85 0.04 0.00 1.34 0.00 0.00 72.50 70.99 1vh5 s THR 39 CO -0.03 -0.19 0.40 -0.32 -0.54 0.00 0.00 174.62 173.94 1vh5 s MET 40 N -3.75 0.44 0.52 3.99 0.00 -0.45 -1.03 119.30 119.02 1vh5 s MET 40 Ca 0.36 0.62 -0.19 0.00 0.00 0.00 0.00 55.69 56.47 1vh5 s MET 40 Cb -0.00 0.15 -0.07 0.00 0.00 0.00 0.00 34.83 34.91 1vh5 s MET 40 CO 0.20 -0.09 1.04 -1.25 0.00 0.00 0.00 175.02 174.93 1vh5 s PRO 41 N 0.55 3.64 -0.68 4.11 0.04 -1.26 -0.55 135.00 140.85 1vh5 s PRO 41 Ca -0.03 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.14 1vh5 s PRO 41 Cb -0.04 -2.07 0.14 0.00 0.04 0.00 0.00 34.50 32.56 1vh5 s PRO 41 CO -0.03 -0.56 0.74 0.08 0.04 0.00 0.00 177.00 177.27 1vh5 s VAL 42 N -2.16 5.06 0.04 -0.36 1.01 -0.30 -4.73 120.40 118.95 1vh5 s VAL 42 Ca 0.66 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1vh5 s VAL 42 Cb -0.16 -4.50 -0.00 0.00 0.00 0.00 0.00 36.38 31.72 1vh5 s VAL 42 CO 0.26 -1.11 0.05 -0.90 0.00 0.00 0.00 175.10 173.40 1vh5 n ASP 43 N 5.63 -0.13 0.29 3.32 3.85 -1.26 -4.47 116.55 123.79 1vh5 n ASP 43 Ca -0.01 -1.23 0.16 0.00 -0.71 0.00 0.00 54.79 53.01 1vh5 n ASP 43 Cb 0.44 0.26 0.95 0.00 -1.35 0.00 0.00 41.12 41.41 1vh5 n ASP 43 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1vh5 h SER 44 N 0.23 0.00 1.07 -1.12 4.64 -1.94 0.11 113.55 116.54 1vh5 h SER 44 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1vh5 h SER 44 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1vh5 h SER 44 CO 0.04 0.00 -0.45 0.03 -0.87 0.00 0.00 176.83 175.58 1vh5 h ARG 45 N 0.00 0.00 0.00 4.77 3.08 -1.96 -3.35 114.38 116.93 1vh5 h ARG 45 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1vh5 h ARG 45 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1vh5 h ARG 45 CO -0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 1vh5 n THR 46 N -2.20 0.54 -3.42 2.04 -2.24 -0.19 -5.03 114.28 103.78 1vh5 n THR 46 Ca 0.04 -0.71 -0.31 0.00 -2.27 0.00 0.00 64.05 60.79 1vh5 n THR 46 Cb 0.44 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 1vh5 n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vh5 s LYS 47 N -0.54 3.75 0.77 -0.78 1.02 -0.15 -0.08 119.74 123.73 1vh5 s LYS 47 Ca 0.00 0.19 -0.06 0.00 0.02 0.00 0.00 55.97 56.12 1vh5 s LYS 47 Cb 0.00 -2.67 0.13 0.00 -0.52 0.00 0.00 37.83 34.77 1vh5 s LYS 47 CO 0.00 0.31 1.07 1.14 -0.92 0.00 0.00 175.35 176.95 1vh5 s GLN 48 N -2.95 1.58 0.10 1.68 1.03 0.31 -4.66 119.66 116.75 1vh5 s GLN 48 Ca 0.46 -0.72 0.07 0.00 0.04 0.00 0.00 55.36 55.22 1vh5 s GLN 48 Cb -0.11 -2.18 0.38 0.00 0.03 0.00 0.00 33.01 31.13 1vh5 s GLN 48 CO 0.23 -1.61 1.22 -2.30 -2.54 0.00 0.00 175.29 170.29 1vh5 n PRO 49 N -3.07 0.04 -0.32 9.60 -0.02 -1.26 -1.81 135.00 138.17 1vh5 n PRO 49 Ca 0.13 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 1vh5 n PRO 49 Cb 0.60 -1.64 0.24 0.00 -0.02 0.00 0.00 33.50 32.68 1vh5 n PRO 49 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vh5 n PHE 50 N -1.74 0.80 -0.66 6.00 3.72 -1.26 -4.96 117.46 119.36 1vh5 n PHE 50 Ca -0.00 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 1vh5 n PHE 50 Cb 0.02 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1vh5 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vh5 n GLY 51 N 0.88 0.72 3.90 1.37 0.00 -0.75 -5.05 105.19 106.26 1vh5 n GLY 51 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1vh5 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vh5 s LEU 52 N 0.00 4.09 0.16 0.99 1.43 -1.26 -4.71 118.68 119.37 1vh5 s LEU 52 Ca 0.00 -0.05 -0.34 0.00 -1.03 0.00 0.00 54.13 52.71 1vh5 s LEU 52 Cb 0.00 -2.64 -0.14 0.00 0.03 0.00 0.00 46.19 43.44 1vh5 s LEU 52 CO 0.00 -0.03 1.52 -0.11 0.23 0.00 0.00 176.35 177.96 1vh5 n LEU 53 N -1.10 2.84 -4.73 1.79 7.94 0.25 -0.53 117.00 123.46 1vh5 n LEU 53 Ca -0.08 1.09 -0.41 0.00 -1.11 0.00 0.00 56.01 55.50 1vh5 n LEU 53 Cb 0.57 -1.39 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 1vh5 n LEU 53 CO 0.45 -0.44 0.94 -2.28 -1.11 0.00 0.00 177.39 174.94 1vh5 s HIS 54 N 0.75 3.35 0.40 1.96 5.65 0.88 -4.65 115.29 123.64 1vh5 s HIS 54 Ca 0.79 1.29 0.08 0.00 0.25 0.00 0.00 55.06 57.47 1vh5 s HIS 54 Cb -0.72 -3.51 0.86 0.00 -1.18 0.00 0.00 32.58 28.02 1vh5 s HIS 54 CO 0.40 -1.56 2.01 0.78 -0.65 0.00 0.00 174.74 175.72 1vh5 h GLY 55 N 5.61 0.70 1.59 1.59 0.00 -1.91 -0.18 103.07 110.47 1vh5 h GLY 55 Ca -0.44 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 1vh5 h GLY 55 CO 0.77 0.19 -0.05 -1.33 0.00 0.00 0.00 176.54 176.13 1vh5 h GLY 56 N 0.59 0.55 1.31 4.60 0.00 -1.95 -2.63 103.07 105.53 1vh5 h GLY 56 Ca 0.23 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 1vh5 h GLY 56 CO -0.06 0.32 0.09 0.00 0.00 0.00 0.00 176.54 176.89 1vh5 h ALA 57 N 1.47 1.14 -0.84 3.60 0.00 -1.33 0.10 119.26 123.39 1vh5 h ALA 57 Ca 0.10 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1vh5 h ALA 57 Cb 0.39 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1vh5 h ALA 57 CO 0.02 0.57 0.54 0.77 0.00 0.00 0.00 179.25 181.15 1vh5 h SER 58 N 0.82 0.90 -0.09 0.00 0.02 -1.24 -0.53 113.55 113.42 1vh5 h SER 58 Ca 0.17 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.95 1vh5 h SER 58 Cb 0.36 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1vh5 h SER 58 CO 0.01 0.62 -0.53 0.58 -1.14 0.00 0.00 176.83 176.37 1vh5 h VAL 59 N 1.06 1.30 -0.51 2.27 2.07 -1.07 -0.62 116.25 120.76 1vh5 h VAL 59 Ca 0.34 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 66.18 1vh5 h VAL 59 Cb 0.00 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1vh5 h VAL 59 CO -0.11 0.55 0.19 0.58 0.02 0.00 0.00 177.57 178.80 1vh5 h VAL 60 N 0.52 0.84 -0.09 2.57 2.07 -0.22 0.89 116.25 122.84 1vh5 h VAL 60 Ca 0.02 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1vh5 h VAL 60 Cb 1.09 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1vh5 h VAL 60 CO 0.11 0.07 0.05 0.25 0.02 0.00 0.00 177.57 178.07 1vh5 h LEU 61 N 0.38 0.10 -0.32 2.57 5.85 -0.78 0.35 115.31 123.46 1vh5 h LEU 61 Ca 0.24 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1vh5 h LEU 61 Cb 0.25 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1vh5 h LEU 61 CO -0.24 0.11 0.20 0.00 -0.34 0.00 0.00 178.44 178.17 1vh5 h ALA 62 N 1.00 0.41 -0.25 1.25 0.00 -0.79 -1.57 119.26 119.31 1vh5 h ALA 62 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1vh5 h ALA 62 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1vh5 h ALA 62 CO -0.01 -0.10 -0.41 1.49 0.00 0.00 0.00 179.25 180.22 1vh5 h GLU 63 N 0.43 0.61 -0.83 0.00 4.81 -0.70 -0.49 114.58 118.40 1vh5 h GLU 63 Ca 0.12 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1vh5 h GLU 63 Cb -0.01 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1vh5 h GLU 63 CO -0.02 0.91 0.41 0.77 -0.73 0.00 0.00 179.01 180.35 1vh5 h SER 64 N 0.50 1.08 -0.00 1.04 0.02 -0.55 -0.38 113.55 115.25 1vh5 h SER 64 Ca 0.04 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1vh5 h SER 64 Cb 0.93 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1vh5 h SER 64 CO 0.08 0.91 -0.02 0.40 -1.14 0.00 0.00 176.83 177.06 1vh5 h ILE 65 N 1.18 1.53 -0.86 3.27 2.04 -1.17 -3.16 117.51 120.33 1vh5 h ILE 65 Ca 0.29 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1vh5 h ILE 65 Cb 0.10 2.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 1vh5 h ILE 65 CO -0.04 0.41 0.46 1.23 0.00 0.00 0.00 178.15 180.21 1vh5 h GLY 66 N -0.64 1.29 0.99 5.37 0.00 -1.05 -0.33 103.07 108.70 1vh5 h GLY 66 Ca -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1vh5 h GLY 66 CO 0.00 0.57 0.24 1.48 0.00 0.00 0.00 176.54 178.84 1vh5 h SER 67 N 1.21 0.77 -0.32 0.19 4.64 -1.16 -0.08 113.55 118.80 1vh5 h SER 67 Ca 0.30 -0.16 -0.18 0.00 -0.47 0.00 0.00 61.79 61.29 1vh5 h SER 67 Cb 0.04 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1vh5 h SER 67 CO -0.05 0.71 -0.49 -0.37 -0.87 0.00 0.00 176.83 175.77 1vh5 h VAL 68 N 0.77 1.27 -0.74 0.95 -1.51 -1.46 -2.00 116.25 113.54 1vh5 h VAL 68 Ca 0.19 -1.67 0.02 0.00 -1.23 0.00 0.00 66.70 64.02 1vh5 h VAL 68 Cb 0.17 1.53 -0.04 0.00 -2.13 0.00 0.00 31.29 30.82 1vh5 h VAL 68 CO -0.02 0.55 0.47 0.00 -1.23 0.00 0.00 177.57 177.35 1vh5 h ALA 69 N 0.73 0.95 -0.15 5.19 0.00 -0.91 -0.23 119.26 124.83 1vh5 h ALA 69 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1vh5 h ALA 69 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1vh5 h ALA 69 CO 0.11 0.30 0.07 0.78 0.00 0.00 0.00 179.25 180.51 1vh5 h GLY 70 N 0.95 0.20 0.73 0.00 0.00 -0.91 -2.36 103.07 101.68 1vh5 h GLY 70 Ca 0.28 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.62 1vh5 h GLY 70 CO -0.09 0.05 0.46 -1.82 0.00 0.00 0.00 176.54 175.13 1vh5 h TYR 71 N 0.16 0.84 0.00 5.60 3.20 -0.76 -1.64 116.97 124.37 1vh5 h TYR 71 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1vh5 h TYR 71 Cb 0.01 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1vh5 h TYR 71 CO -0.09 0.43 0.00 1.28 -1.64 0.00 0.00 178.16 178.13 1vh5 n LEU 72 N -4.69 0.40 -1.34 2.82 4.77 -0.15 -1.28 117.00 117.53 1vh5 n LEU 72 Ca 0.10 0.63 0.10 0.00 -0.03 0.00 0.00 56.01 56.81 1vh5 n LEU 72 Cb 0.16 -0.60 0.31 0.00 -2.33 0.00 0.00 43.42 40.96 1vh5 n LEU 72 CO 0.30 -0.57 0.77 0.00 -1.33 0.00 0.00 177.39 176.57 1vh5 s THR 74 N -1.38 1.66 0.08 0.00 -4.23 -0.40 -4.73 115.64 106.64 1vh5 s THR 74 Ca 0.47 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1vh5 s THR 74 Cb 0.27 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1vh5 s THR 74 CO 0.27 0.00 -0.01 -1.83 -0.54 0.00 0.00 174.62 172.51 1vh5 s GLU 75 N -4.05 0.75 5.47 3.99 -1.05 -1.26 -4.35 118.70 118.19 1vh5 s GLU 75 Ca 0.26 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.78 1vh5 s GLU 75 Cb 0.01 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1vh5 s GLU 75 CO 0.15 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.64 1vh5 n GLY 76 N 0.02 3.15 0.65 -3.83 0.00 -1.26 -2.11 105.19 101.80 1vh5 n GLY 76 Ca -0.11 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1vh5 n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vh5 n GLU 77 N 14.00 1.82 -1.66 1.61 -0.58 -1.26 -4.91 120.64 129.66 1vh5 n GLU 77 Ca 0.00 -1.26 -0.36 0.00 -0.42 0.00 0.00 57.16 55.12 1vh5 n GLU 77 Cb 0.00 -1.31 0.07 0.00 -0.57 0.00 0.00 31.44 29.63 1vh5 n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1vh5 s GLN 78 N -1.58 2.44 0.24 3.49 -0.21 -0.90 -4.89 119.66 118.26 1vh5 s GLN 78 Ca 0.26 1.92 -0.01 0.00 0.02 0.00 0.00 55.36 57.55 1vh5 s GLN 78 Cb 0.14 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 32.27 1vh5 s GLN 78 CO 0.19 -1.64 0.22 0.15 -2.12 0.00 0.00 175.29 172.09 1vh5 s LYS 79 N -3.57 1.39 0.14 2.91 1.02 -0.27 -4.74 119.74 116.62 1vh5 s LYS 79 Ca 0.79 -1.67 0.10 0.00 0.02 0.00 0.00 55.97 55.21 1vh5 s LYS 79 Cb -0.33 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1vh5 s LYS 79 CO 0.41 -0.50 -0.25 0.14 -0.92 0.00 0.00 175.35 174.24 1vh5 s VAL 80 N -3.94 2.13 -0.07 3.17 -7.23 -1.26 -0.03 120.40 113.17 1vh5 s VAL 80 Ca 0.37 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1vh5 s VAL 80 Cb 0.05 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 35.08 1vh5 s VAL 80 CO 0.15 -0.00 -0.16 0.68 -0.31 0.00 0.00 175.10 175.46 1vh5 s VAL 81 N -1.24 1.41 0.12 1.32 -7.23 -0.15 -4.95 120.40 109.68 1vh5 s VAL 81 Ca 0.14 -0.65 -0.31 0.00 -1.81 0.00 0.00 61.98 59.34 1vh5 s VAL 81 Cb -0.09 -1.25 -0.08 0.00 0.56 0.00 0.00 36.38 35.52 1vh5 s VAL 81 CO 0.06 0.41 1.39 -0.83 -0.31 0.00 0.00 175.10 175.83 1vh5 s GLY 82 N 0.44 1.98 -0.27 2.32 0.00 -1.26 -0.69 107.32 109.84 1vh5 s GLY 82 Ca -0.13 1.13 -0.13 0.00 0.00 0.00 0.00 44.72 45.60 1vh5 s GLY 82 CO 0.05 2.34 -0.34 1.04 0.00 0.00 0.00 173.10 176.19 1vh5 n LEU 83 N 3.86 1.97 -3.77 0.66 4.77 0.07 -4.90 117.00 119.66 1vh5 n LEU 83 Ca 0.11 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 1vh5 n LEU 83 Cb 0.42 -0.80 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1vh5 n LEU 83 CO 0.59 0.59 -0.02 -0.70 -1.33 0.00 0.00 177.39 176.51 1vh5 s GLU 84 N -2.50 0.40 0.02 3.23 -6.30 -1.13 -5.01 118.70 107.41 1vh5 s GLU 84 Ca -0.38 0.34 0.02 0.00 -2.50 0.00 0.00 54.97 52.46 1vh5 s GLU 84 Cb 0.14 0.19 -0.01 0.00 0.00 0.00 0.00 34.13 34.45 1vh5 s GLU 84 CO 0.48 -0.06 -0.08 -1.50 0.02 0.00 0.00 175.26 174.12 1vh5 s ILE 85 N -0.04 0.61 0.03 -3.70 2.07 -1.26 -0.96 121.20 117.94 1vh5 s ILE 85 Ca -0.02 -0.64 -0.04 0.00 -1.41 0.00 0.00 60.65 58.54 1vh5 s ILE 85 Cb -0.03 -0.57 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 1vh5 s ILE 85 CO 0.01 -0.05 0.06 0.54 -1.91 0.00 0.00 174.94 173.60 1vh5 s ASN 86 N -0.75 0.20 -0.14 4.50 2.20 -0.52 -5.00 114.94 115.42 1vh5 s ASN 86 Ca -0.02 -0.52 -0.20 0.00 -0.94 0.00 0.00 52.86 51.18 1vh5 s ASN 86 Cb -0.06 0.19 0.05 0.00 -2.00 0.00 0.00 41.25 39.44 1vh5 s ASN 86 CO 0.00 -0.45 0.52 0.00 -2.94 0.00 0.00 177.10 174.23 1vh5 s ALA 87 N -2.31 -1.31 -0.15 3.54 0.00 -1.26 -1.23 121.76 119.05 1vh5 s ALA 87 Ca -0.08 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 1vh5 s ALA 87 Cb -0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1vh5 s ALA 87 CO -0.03 -0.27 -0.00 1.21 0.00 0.00 0.00 175.76 176.66 1vh5 s ASN 88 N -0.25 5.11 -0.46 0.00 3.84 0.05 -4.97 114.94 118.26 1vh5 s ASN 88 Ca -0.04 -0.02 -0.17 0.00 0.21 0.00 0.00 52.86 52.84 1vh5 s ASN 88 Cb -0.03 -1.77 0.05 0.00 -0.55 0.00 0.00 41.25 38.95 1vh5 s ASN 88 CO 0.03 0.21 0.45 -1.00 -2.79 0.00 0.00 177.10 174.00 1vh5 s HIS 89 N 0.11 3.18 -0.05 0.43 3.76 -1.26 -1.50 115.29 119.96 1vh5 s HIS 89 Ca 0.01 -0.66 0.17 0.00 -0.15 0.00 0.00 55.06 54.44 1vh5 s HIS 89 Cb -0.13 -3.13 -0.26 0.00 1.11 0.00 0.00 32.58 30.17 1vh5 s HIS 89 CO 0.02 -0.81 0.33 1.33 -0.85 0.00 0.00 174.74 174.76 1vh5 n VAL 90 N 5.36 0.21 -3.72 -0.90 0.24 0.02 -4.98 118.33 114.55 1vh5 n VAL 90 Ca -0.10 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.61 1vh5 n VAL 90 Cb 0.45 -0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 32.70 1vh5 n VAL 90 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1vh5 s ARG 91 N -3.08 0.53 0.68 7.34 3.52 -1.03 -4.98 118.95 121.94 1vh5 s ARG 91 Ca -0.07 0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 55.96 1vh5 s ARG 91 Cb 0.10 0.26 -0.00 0.00 -1.56 0.00 0.00 34.95 33.75 1vh5 s ARG 91 CO 0.73 -0.08 1.06 -1.54 -0.81 0.00 0.00 175.30 174.66 1vh5 s SER 92 N 0.09 5.58 0.06 -2.12 1.04 -1.26 -4.57 113.70 112.50 1vh5 s SER 92 Ca -0.01 1.49 0.03 0.00 0.48 0.00 0.00 55.95 57.94 1vh5 s SER 92 Cb -0.03 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1vh5 s SER 92 CO 0.01 -1.30 -0.10 0.00 0.98 0.00 0.00 173.24 172.83 1vh5 s ALA 93 N -3.12 0.79 0.00 5.32 0.00 -1.26 -5.00 121.76 118.49 1vh5 s ALA 93 Ca 0.57 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1vh5 s ALA 93 Cb -0.13 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1vh5 s ALA 93 CO 0.54 0.02 0.01 2.89 0.00 0.00 0.00 175.76 179.23 1vh5 n ARG 94 N 1.29 1.70 -3.83 0.00 -4.01 -1.26 -0.58 116.66 109.96 1vh5 n ARG 94 Ca -0.21 -0.01 -0.07 0.00 -1.04 0.00 0.00 57.85 56.52 1vh5 n ARG 94 Cb 0.55 -0.16 -0.00 0.00 -3.04 0.00 0.00 32.46 29.80 1vh5 n ARG 94 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 1vh5 s GLU 95 N -0.25 1.79 3.96 2.89 -1.05 -1.26 -4.91 118.70 119.88 1vh5 s GLU 95 Ca 0.00 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 1vh5 s GLU 95 Cb 0.00 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1vh5 s GLU 95 CO 0.00 -0.83 0.00 0.41 0.95 0.00 0.00 175.26 175.79 1vh5 n GLY 96 N -0.51 0.85 3.28 -3.83 0.00 -1.26 -4.67 105.19 99.04 1vh5 n GLY 96 Ca -0.06 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1vh5 n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vh5 s ARG 97 N 0.00 1.53 0.18 1.61 0.52 -1.26 -1.15 118.95 120.38 1vh5 s ARG 97 Ca 0.00 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.27 1vh5 s ARG 97 Cb 0.00 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.78 1vh5 s ARG 97 CO 0.00 0.43 0.29 0.14 0.02 0.00 0.00 175.30 176.18 1vh5 s VAL 98 N -0.78 5.19 -0.13 3.52 -7.23 0.29 -3.87 120.40 117.38 1vh5 s VAL 98 Ca 0.09 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1vh5 s VAL 98 Cb -0.09 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.14 1vh5 s VAL 98 CO 0.02 -0.18 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.84 1vh5 s ARG 99 N -3.49 2.62 -0.07 4.82 3.52 0.26 -1.35 118.95 125.27 1vh5 s ARG 99 Ca 0.34 -0.70 -0.14 0.00 -0.13 0.00 0.00 55.73 55.10 1vh5 s ARG 99 Cb -0.10 -2.20 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1vh5 s ARG 99 CO 0.28 -0.08 0.36 0.20 -0.81 0.00 0.00 175.30 175.25 1vh5 s GLY 100 N 1.01 2.36 -0.21 8.12 0.00 0.47 -0.73 107.32 118.35 1vh5 s GLY 100 Ca -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1vh5 s GLY 100 CO -0.04 0.25 -0.15 0.14 0.00 0.00 0.00 173.10 173.31 1vh5 s VAL 101 N -0.42 1.96 -0.13 1.40 1.01 0.45 -1.88 120.40 122.78 1vh5 s VAL 101 Ca 0.21 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1vh5 s VAL 101 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1vh5 s VAL 101 CO 0.09 0.28 -0.10 0.00 0.00 0.00 0.00 175.10 175.37 1vh5 s LYS 103 N 0.30 0.70 0.29 0.00 -2.85 -0.23 -1.55 119.74 116.40 1vh5 s LYS 103 Ca -0.08 -0.93 -0.28 0.00 -1.00 0.00 0.00 55.97 53.67 1vh5 s LYS 103 Cb -0.15 -0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 35.03 1vh5 s LYS 103 CO 0.05 0.09 1.03 -1.25 0.10 0.00 0.00 175.35 175.37 1vh5 s PRO 104 N -2.02 4.62 -0.16 1.78 0.04 -1.26 -0.97 135.00 137.03 1vh5 s PRO 104 Ca -0.03 1.62 0.17 0.00 0.04 0.00 0.00 61.00 62.80 1vh5 s PRO 104 Cb -0.08 -3.07 -0.25 0.00 0.04 0.00 0.00 34.50 31.15 1vh5 s PRO 104 CO 0.01 0.25 0.13 1.28 0.04 0.00 0.00 177.00 178.70 1vh5 n LEU 105 N 1.01 0.00 -3.66 -3.56 4.77 0.10 -4.84 117.00 110.82 1vh5 n LEU 105 Ca -0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1vh5 n LEU 105 Cb 0.47 0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.86 1vh5 n LEU 105 CO 0.50 0.38 0.22 -2.28 -1.33 0.00 0.00 177.39 174.89 1vh5 s HIS 106 N -2.62 -0.89 -0.46 -1.77 5.04 -0.78 -4.92 115.29 108.89 1vh5 s HIS 106 Ca -0.09 1.80 0.03 0.00 -1.54 0.00 0.00 55.06 55.25 1vh5 s HIS 106 Cb 0.07 0.49 0.13 0.00 0.04 0.00 0.00 32.58 33.31 1vh5 s HIS 106 CO 0.78 -0.46 0.23 -0.51 -2.34 0.00 0.00 174.74 172.44 1vh5 s LEU 107 N 1.64 3.48 0.62 8.88 1.43 -1.26 -0.91 118.68 132.55 1vh5 s LEU 107 Ca -0.09 -2.71 0.08 0.00 -1.03 0.00 0.00 54.13 50.38 1vh5 s LEU 107 Cb -0.07 -1.32 0.10 0.00 0.03 0.00 0.00 46.19 44.94 1vh5 s LEU 107 CO -0.17 -0.27 0.85 -0.83 0.23 0.00 0.00 176.35 176.17 1vh5 s GLY 108 N 0.18 1.71 0.44 -3.19 0.00 -0.20 -5.01 107.32 101.25 1vh5 s GLY 108 Ca 0.16 -2.14 0.24 0.00 0.00 0.00 0.00 44.72 42.99 1vh5 s GLY 108 CO -0.02 -1.63 1.66 1.48 0.00 0.00 0.00 173.10 174.60 1vh5 h SER 109 N 0.00 0.00 0.00 1.64 4.64 -2.01 -3.38 113.55 114.44 1vh5 h SER 109 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1vh5 h SER 109 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1vh5 h SER 109 CO 0.40 0.00 -0.96 0.54 -0.87 0.00 0.00 176.83 175.94 1vh5 n ARG 110 N -3.05 2.87 -4.02 4.77 1.74 -1.26 -4.83 116.66 112.88 1vh5 n ARG 110 Ca 0.04 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.03 1vh5 n ARG 110 Cb 0.50 -0.98 -0.09 0.00 -1.02 0.00 0.00 32.46 30.87 1vh5 n ARG 110 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1vh5 s HIS 111 N -1.95 0.47 0.07 -1.55 3.76 -1.26 -0.99 115.29 113.84 1vh5 s HIS 111 Ca 0.00 -0.93 0.02 0.00 -0.15 0.00 0.00 55.06 54.00 1vh5 s HIS 111 Cb 0.00 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.38 1vh5 s HIS 111 CO 0.00 -0.49 -0.08 -0.65 -0.85 0.00 0.00 174.74 172.68 1vh5 s GLN 112 N -3.93 0.69 -0.06 1.40 -0.21 -0.40 -1.03 119.66 116.12 1vh5 s GLN 112 Ca 0.11 -1.04 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1vh5 s GLN 112 Cb 0.07 -0.29 0.02 0.00 1.00 0.00 0.00 33.01 33.80 1vh5 s GLN 112 CO -0.07 0.03 -0.09 0.08 -2.12 0.00 0.00 175.29 173.12 1vh5 s VAL 113 N -2.41 0.88 -0.02 1.09 1.01 -0.09 -0.98 120.40 119.88 1vh5 s VAL 113 Ca 0.01 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1vh5 s VAL 113 Cb -0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1vh5 s VAL 113 CO -0.02 0.30 -0.21 0.26 0.00 0.00 0.00 175.10 175.44 1vh5 s TRP 114 N 0.84 2.49 -0.18 5.22 0.52 0.27 0.03 118.94 128.13 1vh5 s TRP 114 Ca -0.12 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 55.63 1vh5 s TRP 114 Cb -0.15 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 1vh5 s TRP 114 CO 0.01 0.07 -0.00 -1.14 0.02 0.00 0.00 176.95 175.91 1vh5 s GLN 115 N -0.73 3.70 -0.15 4.98 0.74 -0.15 -0.98 119.66 127.07 1vh5 s GLN 115 Ca 0.11 -0.49 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1vh5 s GLN 115 Cb -0.10 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 30.99 1vh5 s GLN 115 CO 0.00 0.15 -0.17 0.42 -0.55 0.00 0.00 175.29 175.14 1vh5 s ILE 116 N 0.64 1.74 -0.11 -2.34 1.09 -0.26 -1.07 121.20 120.89 1vh5 s ILE 116 Ca -0.01 -0.75 -0.03 0.00 -1.10 0.00 0.00 60.65 58.77 1vh5 s ILE 116 Cb -0.14 -1.60 -0.03 0.00 -1.06 0.00 0.00 42.46 39.63 1vh5 s ILE 116 CO 0.02 0.49 -0.00 -1.61 -0.10 0.00 0.00 174.94 173.74 1vh5 s GLU 117 N 1.30 3.19 -0.13 2.79 2.02 -0.53 -0.78 118.70 126.57 1vh5 s GLU 117 Ca 0.02 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.61 1vh5 s GLU 117 Cb -0.13 -2.85 -0.00 0.00 0.10 0.00 0.00 34.13 31.25 1vh5 s GLU 117 CO -0.09 0.58 -0.20 0.42 0.02 0.00 0.00 175.26 175.99 1vh5 s ILE 118 N -0.54 2.38 0.14 -1.63 1.01 0.26 -0.41 121.20 122.41 1vh5 s ILE 118 Ca 0.09 -0.89 0.11 0.00 0.00 0.00 0.00 60.65 59.96 1vh5 s ILE 118 Cb -0.12 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1vh5 s ILE 118 CO 0.02 0.54 -0.26 -0.36 0.00 0.00 0.00 174.94 174.88 1vh5 s PHE 119 N 0.54 2.32 0.83 3.97 0.40 0.09 -0.10 117.98 126.03 1vh5 s PHE 119 Ca -0.12 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.73 1vh5 s PHE 119 Cb -0.17 -1.24 0.19 0.00 0.51 0.00 0.00 43.02 42.31 1vh5 s PHE 119 CO 0.04 0.36 1.13 -0.40 0.70 0.00 0.00 175.22 177.06 1vh5 n ASP 120 N 0.81 0.40 0.31 1.36 3.85 -0.36 -0.57 116.55 122.35 1vh5 n ASP 120 Ca -0.17 -1.60 0.20 0.00 -0.71 0.00 0.00 54.79 52.51 1vh5 n ASP 120 Cb 0.53 -0.84 0.96 0.00 -1.35 0.00 0.00 41.12 40.43 1vh5 n ASP 120 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1vh5 h GLU 121 N 0.00 0.00 -0.17 0.11 5.08 -1.89 -0.53 114.58 117.17 1vh5 h GLU 121 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1vh5 h GLU 121 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1vh5 h GLU 121 CO 0.29 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.93 1vh5 n LYS 122 N -3.10 1.74 -0.87 2.33 5.02 -1.26 -4.92 118.16 117.10 1vh5 n LYS 122 Ca -0.01 -1.11 0.00 0.00 -2.02 0.00 0.00 58.31 55.16 1vh5 n LYS 122 Cb 0.18 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1vh5 n LYS 122 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vh5 n GLY 123 N 1.13 0.54 3.75 0.72 0.00 -0.21 -5.03 105.19 106.10 1vh5 n GLY 123 Ca 0.16 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1vh5 n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vh5 s ARG 124 N -0.43 4.44 0.09 1.61 0.52 -1.26 -4.81 118.95 119.12 1vh5 s ARG 124 Ca 0.00 0.95 -0.31 0.00 -0.52 0.00 0.00 55.73 55.85 1vh5 s ARG 124 Cb 0.00 -3.37 -0.09 0.00 0.52 0.00 0.00 34.95 32.01 1vh5 s ARG 124 CO 0.00 0.27 1.64 -1.17 0.02 0.00 0.00 175.30 176.06 1vh5 s LEU 125 N 0.04 4.37 -0.08 2.53 2.96 -1.26 -1.22 118.68 126.01 1vh5 s LEU 125 Ca 0.36 2.52 0.06 0.00 -0.22 0.00 0.00 54.13 56.86 1vh5 s LEU 125 Cb -0.19 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.83 1vh5 s LEU 125 CO 0.21 -0.87 0.01 0.00 -1.32 0.00 0.00 176.35 174.38 1vh5 s SER 128 N 0.43 2.73 0.10 0.00 0.15 -0.56 -0.57 113.70 115.97 1vh5 s SER 128 Ca -0.02 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.17 1vh5 s SER 128 Cb -0.04 -1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.99 1vh5 s SER 128 CO -0.02 0.06 -0.10 -0.55 1.20 0.00 0.00 173.24 173.84 1vh5 s SER 129 N 0.78 1.46 -0.00 5.45 0.15 0.04 -0.77 113.70 120.82 1vh5 s SER 129 Ca -0.10 -0.85 0.03 0.00 0.70 0.00 0.00 55.95 55.74 1vh5 s SER 129 Cb -0.16 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 1vh5 s SER 129 CO 0.01 -0.28 -0.11 -0.13 1.20 0.00 0.00 173.24 173.92 1vh5 s ARG 130 N -2.97 0.86 -0.09 5.44 0.52 -0.36 -1.10 118.95 121.25 1vh5 s ARG 130 Ca 0.07 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 1vh5 s ARG 130 Cb -0.02 -0.83 0.01 0.00 0.52 0.00 0.00 34.95 34.63 1vh5 s ARG 130 CO -0.00 0.23 -0.18 -1.17 0.02 0.00 0.00 175.30 174.19 1vh5 s LEU 131 N -0.33 1.88 -0.18 2.53 2.96 -0.15 -1.44 118.68 123.94 1vh5 s LEU 131 Ca 0.04 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 1vh5 s LEU 131 Cb -0.04 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 1vh5 s LEU 131 CO -0.00 0.09 0.04 -0.89 -1.32 0.00 0.00 176.35 174.27 1vh5 s THR 132 N 0.57 4.62 0.22 3.68 2.01 -0.14 -0.57 115.64 126.02 1vh5 s THR 132 Ca -0.15 -0.10 0.11 0.00 0.31 0.00 0.00 61.69 61.86 1vh5 s THR 132 Cb -0.17 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 1vh5 s THR 132 CO 0.05 0.46 -0.21 0.42 -0.69 0.00 0.00 174.62 174.66 1vh5 s THR 133 N 0.39 2.24 -0.04 -0.82 -4.23 -0.15 -0.75 115.64 112.28 1vh5 s THR 133 Ca 0.02 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 1vh5 s THR 133 Cb -0.13 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1vh5 s THR 133 CO 0.01 -0.29 0.02 0.00 -0.54 0.00 0.00 174.62 173.82 1vh5 s ALA 134 N -2.12 3.37 -0.04 3.99 0.00 0.13 -1.28 121.76 125.81 1vh5 s ALA 134 Ca 0.23 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 1vh5 s ALA 134 Cb -0.06 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1vh5 s ALA 134 CO 0.11 0.63 0.64 0.42 0.00 0.00 0.00 175.76 177.56 1vh5 s ILE 135 N -1.03 4.98 -0.08 0.00 1.01 -0.16 -0.97 121.20 124.95 1vh5 s ILE 135 Ca 0.18 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.18 1vh5 s ILE 135 Cb -0.12 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1vh5 s ILE 135 CO 0.08 0.33 -0.14 -0.76 0.00 0.00 0.00 174.94 174.45 1vh5 s LEU 136 N 0.32 2.73 0.00 2.97 1.43 0.95 -4.92 118.68 122.17 1vh5 s LEU 136 Ca 0.34 -0.24 0.26 0.00 -1.03 0.00 0.00 54.13 53.46 1vh5 s LEU 136 Cb -0.18 -1.57 0.69 0.00 0.03 0.00 0.00 46.19 45.16 1vh5 s LEU 136 CO 0.17 0.28 1.54 1.21 0.23 0.00 0.00 176.35 179.79