#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vc9 s GLU 2 N 0.00 3.28 0.52 2.12 2.02 -0.57 -5.01 118.70 121.06 1vc9 s GLU 2 Ca 0.00 -0.72 -0.19 0.00 0.02 0.00 0.00 54.97 54.08 1vc9 s GLU 2 Cb 0.00 -2.67 -0.07 0.00 0.10 0.00 0.00 34.13 31.49 1vc9 s GLU 2 CO 0.00 0.04 1.03 -0.51 0.02 0.00 0.00 175.26 175.85 1vc9 s LEU 3 N 0.77 3.72 0.06 1.80 1.43 -1.26 -2.07 118.68 123.13 1vc9 s LEU 3 Ca -0.05 1.85 -0.06 0.00 -1.03 0.00 0.00 54.13 54.83 1vc9 s LEU 3 Cb -0.15 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 1vc9 s LEU 3 CO 0.01 -0.86 0.12 -0.83 0.23 0.00 0.00 176.35 175.02 1vc9 s GLY 4 N -2.35 0.20 -0.05 -3.19 0.00 0.14 -4.50 107.32 97.58 1vc9 s GLY 4 Ca 0.65 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.61 1vc9 s GLY 4 CO 0.26 -0.88 0.13 0.00 0.00 0.00 0.00 173.10 172.61 1vc9 s ALA 5 N -3.49 -0.31 0.31 3.20 0.00 -0.25 -0.81 121.76 120.41 1vc9 s ALA 5 Ca 0.02 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 1vc9 s ALA 5 Cb 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.00 1vc9 s ALA 5 CO -0.09 -0.07 0.90 0.20 0.00 0.00 0.00 175.76 176.70 1vc9 s GLY 6 N 0.16 0.29 0.03 0.00 0.00 -0.76 -0.57 107.32 106.47 1vc9 s GLY 6 Ca -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1vc9 s GLY 6 CO -0.00 0.90 -0.07 -0.32 0.00 0.00 0.00 173.10 173.61 1vc9 s GLY 7 N -3.23 0.44 -0.66 0.20 0.00 -0.74 -2.01 107.32 101.32 1vc9 s GLY 7 Ca 0.19 -0.67 -0.16 0.00 0.00 0.00 0.00 44.72 44.08 1vc9 s GLY 7 CO 0.09 -0.71 0.66 0.14 0.00 0.00 0.00 173.10 173.28 1vc9 s VAL 8 N -1.19 5.21 -0.16 1.40 1.01 -0.66 -4.05 120.40 121.96 1vc9 s VAL 8 Ca -0.09 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.06 1vc9 s VAL 8 Cb -0.09 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1vc9 s VAL 8 CO 0.00 -1.01 0.39 -0.69 0.00 0.00 0.00 175.10 173.79 1vc9 s VAL 9 N 1.48 5.24 0.05 2.92 1.01 -1.26 -1.16 120.40 128.68 1vc9 s VAL 9 Ca 0.11 0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.90 1vc9 s VAL 9 Cb -0.22 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1vc9 s VAL 9 CO -0.00 0.33 -0.23 -0.36 0.00 0.00 0.00 175.10 174.83 1vc9 s PHE 10 N 0.78 2.43 0.46 5.22 0.08 0.15 -0.58 117.98 126.52 1vc9 s PHE 10 Ca 0.20 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 56.99 1vc9 s PHE 10 Cb -0.14 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.91 1vc9 s PHE 10 CO 0.07 0.19 0.52 0.54 -0.10 0.00 0.00 175.22 176.45 1vc9 s ASN 11 N -1.37 5.19 0.58 1.36 2.20 -0.55 -0.96 114.94 121.38 1vc9 s ASN 11 Ca 0.13 -0.73 0.34 0.00 -0.94 0.00 0.00 52.86 51.66 1vc9 s ASN 11 Cb -0.10 -0.30 1.40 0.00 -2.00 0.00 0.00 41.25 40.25 1vc9 s ASN 11 CO 0.04 -0.88 1.67 0.00 -2.94 0.00 0.00 177.10 174.99 1vc9 h ALA 12 N 0.71 2.94 -0.41 3.54 0.00 -1.91 0.30 119.26 124.43 1vc9 h ALA 12 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1vc9 h ALA 12 Cb 1.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1vc9 h ALA 12 CO 0.50 -1.48 0.00 1.63 0.00 0.00 0.00 179.25 179.91 1vc9 n LYS 13 N -3.78 3.35 -3.03 0.00 5.02 -1.26 -4.90 118.16 113.56 1vc9 n LYS 13 Ca 0.23 -2.06 -0.22 0.00 -2.02 0.00 0.00 58.31 54.24 1vc9 n LYS 13 Cb 1.27 -1.90 0.02 0.00 -0.02 0.00 0.00 35.03 34.41 1vc9 n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vc9 n ARG 14 N 0.52 -4.30 -4.07 1.97 1.74 0.11 -4.98 116.66 107.64 1vc9 n ARG 14 Ca 0.18 0.82 -0.36 0.00 -0.77 0.00 0.00 57.85 57.72 1vc9 n ARG 14 Cb 0.80 -5.63 -0.07 0.00 -1.02 0.00 0.00 32.46 26.54 1vc9 n ARG 14 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1vc9 s GLU 15 N -5.70 3.25 -0.06 5.56 2.02 -1.25 -4.51 118.70 118.00 1vc9 s GLU 15 Ca 0.29 -0.26 -0.04 0.00 0.02 0.00 0.00 54.97 54.99 1vc9 s GLU 15 Cb -0.14 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1vc9 s GLU 15 CO 0.36 0.74 0.12 0.54 0.02 0.00 0.00 175.26 177.04 1vc9 s VAL 16 N -1.00 5.15 -0.28 2.63 0.11 0.95 -1.48 120.40 126.49 1vc9 s VAL 16 Ca 0.15 -0.08 -0.28 0.00 -2.93 0.00 0.00 61.98 58.85 1vc9 s VAL 16 Cb -0.12 -3.30 0.01 0.00 -1.53 0.00 0.00 36.38 31.45 1vc9 s VAL 16 CO 0.04 0.49 1.01 -0.22 -3.33 0.00 0.00 175.10 173.10 1vc9 s LEU 17 N -1.37 4.02 0.19 2.54 2.96 0.25 -0.54 118.68 126.72 1vc9 s LEU 17 Ca 0.19 1.11 0.10 0.00 -0.22 0.00 0.00 54.13 55.31 1vc9 s LEU 17 Cb -0.12 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1vc9 s LEU 17 CO 0.09 -0.75 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.42 1vc9 s LEU 18 N 3.36 2.46 0.07 -0.68 1.43 -0.71 -4.55 118.68 120.06 1vc9 s LEU 18 Ca 0.43 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1vc9 s LEU 18 Cb -0.14 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1vc9 s LEU 18 CO 0.11 0.00 -0.08 -0.76 0.23 0.00 0.00 176.35 175.86 1vc9 s LEU 19 N -2.81 2.36 -0.25 1.79 1.43 -0.32 -2.38 118.68 118.50 1vc9 s LEU 19 Ca 0.19 -0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1vc9 s LEU 19 Cb -0.06 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 1vc9 s LEU 19 CO 0.08 -0.31 0.05 -0.60 0.23 0.00 0.00 176.35 175.81 1vc9 s ARG 20 N -2.51 3.58 0.99 1.70 3.52 0.12 -0.45 118.95 125.90 1vc9 s ARG 20 Ca -0.01 -0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 54.90 1vc9 s ARG 20 Cb -0.04 -3.28 0.24 0.00 -1.56 0.00 0.00 34.95 30.31 1vc9 s ARG 20 CO -0.02 -0.21 1.18 -0.40 -0.81 0.00 0.00 175.30 175.05 1vc9 n ASP 21 N 4.90 -0.56 -0.17 -2.12 5.68 0.28 -2.04 116.55 122.51 1vc9 n ASP 21 Ca -0.16 -1.35 -0.02 0.00 -0.50 0.00 0.00 54.79 52.76 1vc9 n ASP 21 Cb 0.51 -0.95 0.08 0.00 -1.14 0.00 0.00 41.12 39.62 1vc9 n ASP 21 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1vc9 h ARG 22 N 0.00 0.27 0.00 0.11 1.12 -1.90 0.33 114.38 114.31 1vc9 h ARG 22 Ca -0.40 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.45 1vc9 h ARG 22 Cb 1.14 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.03 1vc9 h ARG 22 CO 0.28 0.18 0.00 -1.33 -3.11 0.00 0.00 179.97 175.99 1vc9 n MET 23 N -5.08 0.54 -0.91 0.20 2.81 -1.26 -4.83 117.12 108.58 1vc9 n MET 23 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1vc9 n MET 23 Cb 0.26 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1vc9 n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vc9 n GLY 24 N 0.06 0.50 3.81 3.03 0.00 0.10 -5.05 105.19 107.64 1vc9 n GLY 24 Ca 0.06 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 1vc9 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vc9 s PHE 25 N -2.00 3.59 -0.17 1.61 0.08 -1.26 -4.79 117.98 115.04 1vc9 s PHE 25 Ca 0.00 0.70 -0.25 0.00 0.12 0.00 0.00 56.93 57.50 1vc9 s PHE 25 Cb 0.00 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 1vc9 s PHE 25 CO 0.00 0.51 0.81 -1.58 -0.10 0.00 0.00 175.22 174.87 1vc9 s TRP 26 N -0.46 3.42 0.35 0.36 0.52 -1.26 -0.56 118.94 121.31 1vc9 s TRP 26 Ca 0.18 1.23 0.05 0.00 0.02 0.00 0.00 56.10 57.58 1vc9 s TRP 26 Cb -0.14 -2.99 -0.02 0.00 -1.15 0.00 0.00 33.47 29.17 1vc9 s TRP 26 CO 0.07 -0.23 0.36 1.33 0.02 0.00 0.00 176.95 178.50 1vc9 n VAL 27 N 4.72 0.00 -3.42 4.03 0.24 0.40 -3.83 118.33 120.47 1vc9 n VAL 27 Ca 0.04 -2.28 -0.30 0.00 -2.04 0.00 0.00 64.34 59.76 1vc9 n VAL 27 Cb 0.49 1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 34.03 1vc9 n VAL 27 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1vc9 s PHE 28 N -3.21 3.47 0.28 6.34 0.08 -1.26 -1.18 117.98 122.50 1vc9 s PHE 28 Ca 0.37 0.66 -0.29 0.00 0.12 0.00 0.00 56.93 57.79 1vc9 s PHE 28 Cb 0.01 -2.11 -0.10 0.00 -0.57 0.00 0.00 43.02 40.26 1vc9 s PHE 28 CO 0.27 0.24 1.10 -1.25 -0.10 0.00 0.00 175.22 175.47 1vc9 s PRO 29 N -3.27 4.64 0.15 0.24 0.04 -1.26 -4.90 135.00 130.64 1vc9 s PRO 29 Ca 0.44 1.80 -0.25 0.00 0.04 0.00 0.00 61.00 63.03 1vc9 s PRO 29 Cb -0.11 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.31 1vc9 s PRO 29 CO 0.27 0.21 0.91 -1.59 0.04 0.00 0.00 177.00 176.85 1vc9 s LYS 30 N -1.45 1.23 0.12 4.56 0.00 -1.26 -1.80 119.74 121.14 1vc9 s LYS 30 Ca 0.44 -0.65 -0.12 0.00 0.00 0.00 0.00 55.97 55.64 1vc9 s LYS 30 Cb -0.32 0.44 0.04 0.00 0.00 0.00 0.00 37.83 37.99 1vc9 s LYS 30 CO 0.41 -0.56 0.58 0.41 0.00 0.00 0.00 175.35 176.19 1vc9 n GLY 31 N -0.44 0.95 3.75 0.59 0.00 0.26 -4.94 105.19 105.35 1vc9 n GLY 31 Ca -0.06 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1vc9 n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vc9 s HIS 32 N -3.89 3.81 0.52 1.61 3.76 -1.26 -1.10 115.29 118.74 1vc9 s HIS 32 Ca 0.13 1.80 -0.14 0.00 -0.15 0.00 0.00 55.06 56.70 1vc9 s HIS 32 Cb -0.02 -3.11 -0.07 0.00 1.11 0.00 0.00 32.58 30.50 1vc9 s HIS 32 CO 0.04 0.02 0.95 -2.14 -0.85 0.00 0.00 174.74 172.76 1vc9 s PRO 33 N -0.97 3.83 0.19 8.40 0.02 -1.26 -4.93 135.00 140.28 1vc9 s PRO 33 Ca 0.44 0.80 -0.07 0.00 0.02 0.00 0.00 61.00 62.19 1vc9 s PRO 33 Cb -0.28 -2.17 -0.06 0.00 0.02 0.00 0.00 34.50 32.01 1vc9 s PRO 33 CO 0.34 -0.30 0.47 -1.21 -0.33 0.00 0.00 177.00 175.97 1vc9 s GLU 34 N -4.31 3.71 0.17 5.54 2.02 -1.26 -5.01 118.70 119.56 1vc9 s GLU 34 Ca 0.56 0.09 -0.34 0.00 0.02 0.00 0.00 54.97 55.31 1vc9 s GLU 34 Cb -0.10 -2.74 -0.14 0.00 0.10 0.00 0.00 34.13 31.25 1vc9 s GLU 34 CO 0.37 0.39 1.58 -2.30 0.02 0.00 0.00 175.26 175.32 1vc9 n PRO 35 N -0.06 2.21 -0.73 0.39 -0.02 -1.26 -1.22 135.00 134.33 1vc9 n PRO 35 Ca -0.01 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1vc9 n PRO 35 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1vc9 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vc9 n GLY 36 N 3.39 0.68 3.72 -1.23 0.00 -1.26 -5.04 105.19 105.45 1vc9 n GLY 36 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1vc9 n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vc9 s GLU 37 N -0.27 3.10 0.63 1.61 2.12 -0.36 -5.10 118.70 120.43 1vc9 s GLU 37 Ca 0.00 -0.36 -0.13 0.00 0.36 0.00 0.00 54.97 54.84 1vc9 s GLU 37 Cb 0.00 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 1vc9 s GLU 37 CO 0.00 0.70 1.05 -1.54 -0.54 0.00 0.00 175.26 174.92 1vc9 s SER 38 N -0.86 5.78 0.20 -1.70 1.04 -1.26 -4.81 113.70 112.10 1vc9 s SER 38 Ca 0.13 1.65 -0.09 0.00 0.48 0.00 0.00 55.95 58.13 1vc9 s SER 38 Cb -0.12 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.63 1vc9 s SER 38 CO 0.03 -1.17 1.75 -0.07 0.98 0.00 0.00 173.24 174.76 1vc9 h LEU 39 N -0.07 1.06 0.32 2.42 3.38 -1.98 0.79 115.31 121.22 1vc9 h LEU 39 Ca -0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1vc9 h LEU 39 Cb 1.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1vc9 h LEU 39 CO 0.58 0.97 -0.20 -0.08 0.09 0.00 0.00 178.44 179.80 1vc9 h GLU 40 N 1.08 -0.48 -0.59 1.13 4.81 -1.95 0.10 114.58 118.68 1vc9 h GLU 40 Ca 0.24 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1vc9 h GLU 40 Cb 0.27 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 1vc9 h GLU 40 CO -0.01 -0.32 0.20 1.49 -0.73 0.00 0.00 179.01 179.63 1vc9 h GLU 41 N -0.50 0.36 -0.45 1.92 4.81 -1.89 -1.53 114.58 117.29 1vc9 h GLU 41 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1vc9 h GLU 41 Cb 0.42 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1vc9 h GLU 41 CO 0.03 0.24 0.30 0.00 -0.73 0.00 0.00 179.01 178.84 1vc9 h ALA 42 N 1.42 0.57 -0.50 2.92 0.00 -0.35 -2.23 119.26 121.10 1vc9 h ALA 42 Ca 0.30 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1vc9 h ALA 42 Cb 0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1vc9 h ALA 42 CO -0.32 0.02 0.29 0.00 0.00 0.00 0.00 179.25 179.24 1vc9 h ALA 43 N 1.17 0.64 -0.79 0.00 0.00 0.05 -0.51 119.26 119.81 1vc9 h ALA 43 Ca 0.17 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1vc9 h ALA 43 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1vc9 h ALA 43 CO -0.04 -0.02 0.29 0.28 0.00 0.00 0.00 179.25 179.76 1vc9 h VAL 44 N 0.57 1.26 -0.14 0.00 2.07 -1.09 -1.51 116.25 117.42 1vc9 h VAL 44 Ca 0.20 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1vc9 h VAL 44 Cb 0.04 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1vc9 h VAL 44 CO -0.10 0.35 0.03 -0.09 0.02 0.00 0.00 177.57 177.77 1vc9 h ARG 45 N 1.15 0.23 -0.73 1.57 2.43 -0.94 -1.46 114.38 116.62 1vc9 h ARG 45 Ca 0.26 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1vc9 h ARG 45 Cb 0.25 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1vc9 h ARG 45 CO -0.02 0.41 0.45 0.93 -1.51 0.00 0.00 179.97 180.23 1vc9 h GLU 46 N 0.02 0.99 -0.24 0.20 4.39 -0.97 0.58 114.58 119.54 1vc9 h GLU 46 Ca 0.04 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1vc9 h GLU 46 Cb 0.28 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1vc9 h GLU 46 CO 0.00 0.70 0.13 0.28 -1.16 0.00 0.00 179.01 178.96 1vc9 h VAL 47 N 1.00 1.01 -0.61 3.13 2.07 -1.17 0.49 116.25 122.18 1vc9 h VAL 47 Ca 0.26 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 1vc9 h VAL 47 Cb -0.05 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1vc9 h VAL 47 CO -0.05 0.05 0.19 -0.25 0.02 0.00 0.00 177.57 177.53 1vc9 h TRP 48 N 0.27 0.94 -0.31 1.57 2.91 -0.53 -1.64 115.95 119.16 1vc9 h TRP 48 Ca 0.10 -0.07 -0.13 0.00 1.13 0.00 0.00 58.89 59.91 1vc9 h TRP 48 Cb 0.01 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 28.38 1vc9 h TRP 48 CO -0.08 0.75 -0.33 0.93 -1.03 0.00 0.00 178.44 178.68 1vc9 h GLU 49 N 0.89 0.76 0.00 2.65 5.08 0.63 -0.70 114.58 123.89 1vc9 h GLU 49 Ca 0.20 -0.41 -0.14 0.00 -1.00 0.00 0.00 59.36 58.01 1vc9 h GLU 49 Cb 0.25 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1vc9 h GLU 49 CO -0.01 1.04 -0.89 1.96 -1.00 0.00 0.00 179.01 180.11 1vc9 h GLN 50 N 0.52 0.00 0.00 2.33 4.20 -0.84 -3.39 115.11 117.93 1vc9 h GLN 50 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1vc9 h GLN 50 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1vc9 h GLN 50 CO 0.08 0.45 0.00 0.25 -0.67 0.00 0.00 178.83 178.94 1vc9 n THR 51 N -3.10 0.13 -0.78 -0.54 -2.24 -0.62 -4.28 114.28 102.85 1vc9 n THR 51 Ca -0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1vc9 n THR 51 Cb 0.79 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 70.35 1vc9 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vc9 n GLY 52 N -0.07 0.18 3.72 3.38 0.00 -0.27 -2.24 105.19 109.90 1vc9 n GLY 52 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1vc9 n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vc9 s VAL 53 N -1.50 4.77 -0.48 1.61 1.01 -1.26 -4.95 120.40 119.61 1vc9 s VAL 53 Ca 0.00 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.71 1vc9 s VAL 53 Cb 0.00 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.17 1vc9 s VAL 53 CO 0.00 0.25 0.60 -0.13 0.00 0.00 0.00 175.10 175.81 1vc9 s ARG 54 N 0.55 3.15 0.28 2.72 1.81 -1.26 -3.45 118.95 122.75 1vc9 s ARG 54 Ca 0.47 -0.75 0.10 0.00 -1.72 0.00 0.00 55.73 53.83 1vc9 s ARG 54 Cb -0.21 -4.04 -0.05 0.00 -0.45 0.00 0.00 34.95 30.20 1vc9 s ARG 54 CO 0.27 -1.11 -0.09 0.00 -0.68 0.00 0.00 175.30 173.69 1vc9 s ALA 55 N 2.59 2.99 -0.04 2.13 0.00 -1.26 -4.17 121.76 124.01 1vc9 s ALA 55 Ca 0.16 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.37 1vc9 s ALA 55 Cb -0.18 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1vc9 s ALA 55 CO 0.14 0.24 -0.20 -1.21 0.00 0.00 0.00 175.76 174.73 1vc9 s GLU 56 N -3.61 1.89 -0.07 0.00 2.02 0.14 -4.93 118.70 114.14 1vc9 s GLU 56 Ca 0.31 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 1vc9 s GLU 56 Cb -0.05 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.47 1vc9 s GLU 56 CO 0.18 0.33 1.28 0.08 0.02 0.00 0.00 175.26 177.15 1vc9 s VAL 57 N -0.16 4.11 -0.14 2.63 1.01 -1.26 -1.22 120.40 125.37 1vc9 s VAL 57 Ca -0.00 1.43 -0.07 0.00 0.00 0.00 0.00 61.98 63.34 1vc9 s VAL 57 Cb -0.11 -3.92 -0.25 0.00 0.00 0.00 0.00 36.38 32.11 1vc9 s VAL 57 CO 0.02 -0.04 0.29 0.18 0.00 0.00 0.00 175.10 175.55 1vc9 n LEU 58 N 5.68 2.63 -3.63 3.92 4.77 0.57 -4.97 117.00 125.98 1vc9 n LEU 58 Ca 0.12 0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1vc9 n LEU 58 Cb 0.45 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1vc9 n LEU 58 CO 0.56 0.83 1.14 -1.48 -1.33 0.00 0.00 177.39 177.12 1vc9 s LEU 59 N -7.04 -0.05 0.50 2.23 0.05 -1.17 -5.03 118.68 108.17 1vc9 s LEU 59 Ca -0.24 0.01 -0.18 0.00 0.05 0.00 0.00 54.13 53.77 1vc9 s LEU 59 Cb 0.07 1.13 -0.08 0.00 -2.05 0.00 0.00 46.19 45.25 1vc9 s LEU 59 CO 0.74 -0.07 0.99 -2.16 -0.55 0.00 0.00 176.35 175.30 1vc9 s PRO 60 N -2.00 3.94 0.00 1.48 0.04 -1.26 -0.55 135.00 136.65 1vc9 s PRO 60 Ca 0.11 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1vc9 s PRO 60 Cb -0.01 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1vc9 s PRO 60 CO -0.03 -0.28 0.00 1.28 0.04 0.00 0.00 177.00 178.00 1vc9 n LEU 61 N -1.34 0.00 -3.69 -3.56 4.77 -0.71 -4.76 117.00 107.71 1vc9 n LEU 61 Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1vc9 n LEU 61 Cb 0.54 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1vc9 n LEU 61 CO 0.43 0.00 0.72 -0.72 -1.33 0.00 0.00 177.39 176.50 1vc9 s TYR 62 N 1.17 -0.18 0.40 -1.77 1.13 -1.25 -4.98 117.35 111.87 1vc9 s TYR 62 Ca 0.00 -0.08 -0.06 0.00 -1.41 0.00 0.00 57.07 55.52 1vc9 s TYR 62 Cb 0.00 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.43 1vc9 s TYR 62 CO 0.00 -0.74 0.70 -1.25 -2.51 0.00 0.00 175.55 171.74 1vc9 s PRO 63 N -3.22 3.63 0.21 -3.49 0.04 -1.26 -2.81 135.00 128.10 1vc9 s PRO 63 Ca 0.11 0.17 0.10 0.00 0.04 0.00 0.00 61.00 61.42 1vc9 s PRO 63 Cb -0.01 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 1vc9 s PRO 63 CO -0.01 -0.01 -0.20 0.95 0.04 0.00 0.00 177.00 177.77 1vc9 s THR 64 N -2.42 2.20 0.03 1.26 -4.23 0.26 -4.92 115.64 107.81 1vc9 s THR 64 Ca 0.47 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1vc9 s THR 64 Cb -0.10 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1vc9 s THR 64 CO 0.36 -0.29 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.91 1vc9 s ARG 65 N -3.03 0.74 0.09 3.99 0.52 -1.26 -0.88 118.95 119.12 1vc9 s ARG 65 Ca 0.22 -0.62 -0.26 0.00 -0.52 0.00 0.00 55.73 54.55 1vc9 s ARG 65 Cb -0.06 -0.68 0.08 0.00 0.52 0.00 0.00 34.95 34.81 1vc9 s ARG 65 CO 0.10 0.17 0.89 1.52 0.02 0.00 0.00 175.30 178.00 1vc9 s TYR 66 N -0.79 -0.26 -0.17 -0.53 1.13 -0.95 -5.00 117.35 110.78 1vc9 s TYR 66 Ca -0.01 0.02 -0.02 0.00 -1.41 0.00 0.00 57.07 55.65 1vc9 s TYR 66 Cb -0.07 0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 41.37 1vc9 s TYR 66 CO 0.01 -0.73 -0.08 0.08 -2.51 0.00 0.00 175.55 172.31 1vc9 s VAL 67 N -3.29 3.34 0.98 -3.49 1.01 -1.26 0.37 120.40 118.07 1vc9 s VAL 67 Ca 0.08 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1vc9 s VAL 67 Cb -0.01 -2.46 0.19 0.00 0.00 0.00 0.00 36.38 34.09 1vc9 s VAL 67 CO -0.03 0.48 1.21 0.54 0.00 0.00 0.00 175.10 177.30 1vc9 s ASN 68 N 0.74 2.91 0.32 3.32 2.20 -0.46 -4.88 114.94 119.10 1vc9 s ASN 68 Ca -0.04 0.58 0.08 0.00 -0.94 0.00 0.00 52.86 52.54 1vc9 s ASN 68 Cb -0.15 -0.85 0.81 0.00 -2.00 0.00 0.00 41.25 39.06 1vc9 s ASN 68 CO 0.02 -2.88 1.77 -0.65 -2.94 0.00 0.00 177.10 172.42 1vc9 h PRO 69 N -1.74 0.67 -0.61 3.55 0.11 -2.00 -0.99 132.00 130.99 1vc9 h PRO 69 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vc9 h PRO 69 Cb 1.28 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vc9 h PRO 69 CO 0.46 0.44 0.00 1.63 -0.21 0.00 0.00 178.00 180.33 1vc9 n LYS 70 N -4.76 0.90 -0.24 1.05 5.02 -1.26 -4.85 118.16 114.01 1vc9 n LYS 70 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1vc9 n LYS 70 Cb 0.63 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1vc9 n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vc9 n GLY 71 N 0.16 1.81 3.68 0.72 0.00 -0.38 -4.99 105.19 106.20 1vc9 n GLY 71 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1vc9 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vc9 s VAL 72 N -2.68 4.51 0.08 1.61 1.01 -1.26 -4.77 120.40 118.90 1vc9 s VAL 72 Ca 0.00 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 1vc9 s VAL 72 Cb 0.00 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1vc9 s VAL 72 CO 0.00 -0.06 1.02 -1.83 0.00 0.00 0.00 175.10 174.23 1vc9 s GLU 73 N 2.57 4.60 0.02 2.72 -1.05 -1.26 -1.35 118.70 124.95 1vc9 s GLU 73 Ca 0.51 1.52 0.07 0.00 -0.15 0.00 0.00 54.97 56.92 1vc9 s GLU 73 Cb -0.20 -3.39 -0.03 0.00 -0.44 0.00 0.00 34.13 30.07 1vc9 s GLU 73 CO 0.16 0.05 -0.21 1.03 0.95 0.00 0.00 175.26 177.24 1vc9 s ARG 74 N 0.42 2.08 -0.21 -4.83 1.81 0.16 -1.51 118.95 116.87 1vc9 s ARG 74 Ca 0.50 -0.96 0.01 0.00 -1.72 0.00 0.00 55.73 53.57 1vc9 s ARG 74 Cb -0.24 -2.14 0.05 0.00 -0.45 0.00 0.00 34.95 32.17 1vc9 s ARG 74 CO 0.30 0.55 -0.08 -2.00 -0.68 0.00 0.00 175.30 173.38 1vc9 s GLU 75 N -1.12 1.88 -0.19 3.54 2.12 -0.88 -2.25 118.70 121.80 1vc9 s GLU 75 Ca 0.12 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.52 1vc9 s GLU 75 Cb -0.10 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.79 1vc9 s GLU 75 CO 0.02 -0.49 -0.03 0.08 -0.54 0.00 0.00 175.26 174.30 1vc9 s VAL 76 N 1.39 3.68 -0.21 3.70 1.01 -0.06 -0.68 120.40 129.24 1vc9 s VAL 76 Ca -0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1vc9 s VAL 76 Cb -0.17 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1vc9 s VAL 76 CO -0.07 0.45 0.39 -1.00 0.00 0.00 0.00 175.10 174.87 1vc9 s HIS 77 N 0.98 3.35 0.12 5.22 3.76 0.01 -0.57 115.29 128.16 1vc9 s HIS 77 Ca 0.01 0.58 0.04 0.00 -0.15 0.00 0.00 55.06 55.54 1vc9 s HIS 77 Cb -0.15 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 1vc9 s HIS 77 CO 0.01 -0.04 0.11 -1.58 -0.85 0.00 0.00 174.74 172.38 1vc9 s TRP 78 N 1.43 3.17 -0.02 1.40 0.52 -1.12 -1.82 118.94 122.49 1vc9 s TRP 78 Ca 0.18 0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.34 1vc9 s TRP 78 Cb -0.15 -1.57 0.01 0.00 -1.15 0.00 0.00 33.47 30.62 1vc9 s TRP 78 CO 0.08 0.52 -0.04 -0.06 0.02 0.00 0.00 176.95 177.47 1vc9 s PHE 79 N -1.56 0.49 -0.13 -1.98 0.08 -0.85 -1.74 117.98 112.28 1vc9 s PHE 79 Ca 0.30 -0.09 -0.29 0.00 0.12 0.00 0.00 56.93 56.96 1vc9 s PHE 79 Cb -0.11 -0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 41.91 1vc9 s PHE 79 CO 0.23 -0.08 1.27 -1.17 -0.10 0.00 0.00 175.22 175.37 1vc9 s LEU 80 N 0.39 4.21 0.28 -0.37 2.96 0.28 -1.65 118.68 124.78 1vc9 s LEU 80 Ca -0.04 1.75 0.07 0.00 -0.22 0.00 0.00 54.13 55.68 1vc9 s LEU 80 Cb -0.08 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 1vc9 s LEU 80 CO -0.00 -0.73 -0.06 -0.04 -1.32 0.00 0.00 176.35 174.19 1vc9 s MET 81 N 3.22 1.54 -0.06 1.98 -1.94 -0.31 -0.32 119.30 123.42 1vc9 s MET 81 Ca 0.56 -1.77 0.04 0.00 -1.71 0.00 0.00 55.69 52.81 1vc9 s MET 81 Cb -0.23 -1.15 -0.00 0.00 2.01 0.00 0.00 34.83 35.45 1vc9 s MET 81 CO 0.17 0.05 -0.20 0.50 -0.01 0.00 0.00 175.02 175.53 1vc9 s ARG 82 N -3.72 2.21 0.33 2.03 6.06 -0.36 -0.68 118.95 124.83 1vc9 s ARG 82 Ca 0.29 -0.71 -0.14 0.00 -2.50 0.00 0.00 55.73 52.67 1vc9 s ARG 82 Cb 0.03 -1.83 0.03 0.00 0.06 0.00 0.00 34.95 33.24 1vc9 s ARG 82 CO 0.12 0.23 0.67 0.20 -2.50 0.00 0.00 175.30 174.02 1vc9 s GLY 83 N 0.14 0.48 0.16 8.12 0.00 -0.14 -0.68 107.32 115.40 1vc9 s GLY 83 Ca -0.08 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 1vc9 s GLY 83 CO 0.04 -0.43 0.34 -0.54 0.00 0.00 0.00 173.10 172.51 1vc9 s GLU 84 N -3.09 1.17 0.00 2.90 0.41 -1.26 -3.88 118.70 114.95 1vc9 s GLU 84 Ca 0.18 -1.06 0.00 0.00 -0.41 0.00 0.00 54.97 53.68 1vc9 s GLU 84 Cb -0.04 0.41 0.00 0.00 -1.78 0.00 0.00 34.13 32.72 1vc9 s GLU 84 CO 0.12 -0.45 0.00 0.41 -0.49 0.00 0.00 175.26 174.85 1vc9 n GLY 85 N -0.23 1.84 3.73 -1.39 0.00 -1.26 -4.46 105.19 103.43 1vc9 n GLY 85 Ca -0.09 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 1vc9 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vc9 s ALA 86 N -2.87 3.30 0.70 4.61 0.00 -1.26 -4.99 121.76 121.24 1vc9 s ALA 86 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 1vc9 s ALA 86 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1vc9 s ALA 86 CO 0.00 -0.09 1.12 -1.25 0.00 0.00 0.00 175.76 175.54 1vc9 s PRO 87 N -0.16 2.55 -0.40 0.00 0.04 -1.26 -4.87 135.00 130.90 1vc9 s PRO 87 Ca 0.48 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.94 1vc9 s PRO 87 Cb -0.26 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.48 1vc9 s PRO 87 CO 0.32 -1.44 0.16 1.03 0.04 0.00 0.00 177.00 177.10 1vc9 s ARG 88 N -4.25 1.36 0.99 4.56 0.52 -0.95 -5.03 118.95 116.15 1vc9 s ARG 88 Ca 0.67 -1.89 -0.15 0.00 -0.52 0.00 0.00 55.73 53.83 1vc9 s ARG 88 Cb -0.21 -2.72 0.01 0.00 0.52 0.00 0.00 34.95 32.55 1vc9 s ARG 88 CO 0.45 -1.05 0.05 1.28 0.02 0.00 0.00 175.30 176.05 1vc9 n LEU 89 N 3.94 -1.71 -4.07 2.53 4.32 -1.26 -4.26 117.00 116.50 1vc9 n LEU 89 Ca 0.04 0.21 -0.25 0.00 -0.02 0.00 0.00 56.01 55.99 1vc9 n LEU 89 Cb 0.38 -1.06 -0.16 0.00 -1.62 0.00 0.00 43.42 40.96 1vc9 n LEU 89 CO 0.23 -3.92 -0.48 -0.70 -1.22 0.00 0.00 177.39 171.30 1vc9 s GLU 90 N -3.25 1.67 0.05 3.23 2.12 -1.26 -4.99 118.70 116.27 1vc9 s GLU 90 Ca 0.53 -0.49 -0.15 0.00 0.36 0.00 0.00 54.97 55.22 1vc9 s GLU 90 Cb -0.18 -1.42 -0.08 0.00 0.26 0.00 0.00 34.13 32.71 1vc9 s GLU 90 CO 0.70 0.13 0.33 0.39 -0.54 0.00 0.00 175.26 176.27 1vc9 n GLU 91 N 3.45 0.00 0.00 4.30 1.02 -1.26 -1.49 120.64 126.66 1vc9 n GLU 91 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1vc9 n GLU 91 Cb 0.53 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 1vc9 n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vc9 n GLY 92 N 0.81 2.94 3.73 0.62 0.00 -1.26 -5.04 105.19 106.99 1vc9 n GLY 92 Ca 0.08 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1vc9 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vc9 s MET 93 N 0.00 4.60 -0.34 1.61 -1.94 -0.55 -3.64 119.30 119.04 1vc9 s MET 93 Ca 0.00 1.57 0.08 0.00 -1.71 0.00 0.00 55.69 55.64 1vc9 s MET 93 Cb 0.00 -3.36 0.62 0.00 2.01 0.00 0.00 34.83 34.10 1vc9 s MET 93 CO 0.00 0.05 1.69 0.25 -0.01 0.00 0.00 175.02 177.00 1vc9 n THR 94 N 3.05 2.84 0.00 2.05 -2.24 -0.87 -4.81 114.28 114.31 1vc9 n THR 94 Ca 0.04 -2.13 0.00 0.00 -2.27 0.00 0.00 64.05 59.69 1vc9 n THR 94 Cb 0.48 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1vc9 n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vc9 n GLY 95 N -0.84 3.55 3.47 3.38 0.00 -1.26 -4.85 105.19 108.64 1vc9 n GLY 95 Ca 0.43 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1vc9 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vc9 s ALA 96 N -2.00 -1.63 0.00 4.61 0.00 -1.26 -0.70 121.76 120.77 1vc9 s ALA 96 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1vc9 s ALA 96 Cb 0.00 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1vc9 s ALA 96 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1vc9 n GLY 97 N -0.35 1.61 3.87 0.00 0.00 -1.00 -5.01 105.19 104.31 1vc9 n GLY 97 Ca -0.14 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 1vc9 n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vc9 s TRP 98 N -2.00 3.61 0.03 1.61 0.52 -1.26 -1.74 118.94 119.70 1vc9 s TRP 98 Ca 0.00 0.56 0.02 0.00 0.02 0.00 0.00 56.10 56.70 1vc9 s TRP 98 Cb 0.00 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1vc9 s TRP 98 CO 0.00 0.73 -0.07 -0.06 0.02 0.00 0.00 176.95 177.56 1vc9 s PHE 99 N -1.01 0.64 0.66 -1.98 0.08 0.30 -4.86 117.98 111.81 1vc9 s PHE 99 Ca 0.15 -0.42 -0.13 0.00 0.12 0.00 0.00 56.93 56.65 1vc9 s PHE 99 Cb -0.12 -0.39 -0.00 0.00 -0.57 0.00 0.00 43.02 41.94 1vc9 s PHE 99 CO 0.05 -0.07 1.07 -1.54 -0.10 0.00 0.00 175.22 174.63 1vc9 s SER 100 N -1.31 5.34 0.26 1.36 1.04 -1.26 -0.03 113.70 119.10 1vc9 s SER 100 Ca -0.08 1.79 -0.01 0.00 0.48 0.00 0.00 55.95 58.13 1vc9 s SER 100 Cb -0.09 -2.52 0.56 0.00 0.10 0.00 0.00 66.02 64.07 1vc9 s SER 100 CO 0.00 -1.47 1.72 -0.65 0.98 0.00 0.00 173.24 173.83 1vc9 h PRO 101 N -0.22 0.43 -0.20 4.02 0.11 -1.98 0.80 132.00 134.97 1vc9 h PRO 101 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1vc9 h PRO 101 Cb 1.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1vc9 h PRO 101 CO 0.56 0.29 0.10 1.49 -0.21 0.00 0.00 178.00 180.23 1vc9 h GLU 102 N 0.45 0.28 -0.69 1.05 4.81 -1.99 -0.30 114.58 118.18 1vc9 h GLU 102 Ca 0.47 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1vc9 h GLU 102 Cb 0.78 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1vc9 h GLU 102 CO -0.45 0.28 0.34 0.93 -0.73 0.00 0.00 179.01 179.38 1vc9 h GLU 103 N 0.20 0.99 -0.74 1.92 5.08 -1.66 -2.47 114.58 117.90 1vc9 h GLU 103 Ca 0.07 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1vc9 h GLU 103 Cb 0.09 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1vc9 h GLU 103 CO -0.01 0.78 0.47 0.00 -1.00 0.00 0.00 179.01 179.25 1vc9 h ALA 104 N 1.16 0.96 0.00 3.43 0.00 -0.55 0.26 119.26 124.53 1vc9 h ALA 104 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1vc9 h ALA 104 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1vc9 h ALA 104 CO -0.03 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1vc9 h ARG 105 N 0.93 0.00 0.00 0.00 3.08 -0.60 0.88 114.38 118.67 1vc9 h ARG 105 Ca 0.29 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 1vc9 h ARG 105 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1vc9 h ARG 105 CO -0.10 0.00 -1.30 0.00 -1.07 0.00 0.00 179.97 177.50 1vc9 n ALA 106 N -1.88 2.24 -0.11 0.04 0.00 0.02 -4.48 120.51 116.33 1vc9 n ALA 106 Ca -0.01 -0.43 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 1vc9 n ALA 106 Cb 0.12 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 1vc9 n ALA 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vc9 n LEU 107 N -2.75 2.76 -4.68 0.00 4.77 -0.47 -4.95 117.00 111.68 1vc9 n LEU 107 Ca -0.06 -0.01 -0.47 0.00 -0.03 0.00 0.00 56.01 55.44 1vc9 n LEU 107 Cb 0.70 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1vc9 n LEU 107 CO 0.42 0.86 1.42 0.18 -1.33 0.00 0.00 177.39 178.94 1vc9 n LEU 108 N -3.47 3.45 0.04 2.23 4.77 0.18 -4.40 117.00 119.80 1vc9 n LEU 108 Ca -0.45 1.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 1vc9 n LEU 108 Cb 0.97 -1.41 0.17 0.00 -2.33 0.00 0.00 43.42 40.83 1vc9 n LEU 108 CO 0.24 -0.08 0.33 0.00 -1.33 0.00 0.00 177.39 176.55 1vc9 n ALA 109 N 5.82 3.11 -2.33 -1.18 0.00 -1.25 -4.94 120.51 119.75 1vc9 n ALA 109 Ca 0.21 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1vc9 n ALA 109 Cb 0.31 -1.14 -0.15 0.00 0.00 0.00 0.00 19.45 18.47 1vc9 n ALA 109 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1vc9 s PHE 110 N -3.13 2.34 0.24 0.00 0.08 -1.26 -5.03 117.98 111.20 1vc9 s PHE 110 Ca 0.07 -0.42 -0.05 0.00 0.12 0.00 0.00 56.93 56.65 1vc9 s PHE 110 Cb 0.14 -1.46 0.42 0.00 -0.57 0.00 0.00 43.02 41.56 1vc9 s PHE 110 CO 0.73 0.04 1.74 -1.35 -0.10 0.00 0.00 175.22 176.27 1vc9 h PRO 111 N 5.18 0.46 -0.70 0.24 0.11 -1.99 -1.44 132.00 133.84 1vc9 h PRO 111 Ca -0.45 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1vc9 h PRO 111 Cb 1.13 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1vc9 h PRO 111 CO 0.46 0.30 0.46 0.93 -0.21 0.00 0.00 178.00 179.94 1vc9 h GLU 112 N 0.47 0.80 0.10 1.05 3.07 -1.96 -0.79 114.58 117.31 1vc9 h GLU 112 Ca 0.39 -0.05 -0.28 0.00 -0.50 0.00 0.00 59.36 58.92 1vc9 h GLU 112 Cb 0.56 -0.18 0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1vc9 h GLU 112 CO -0.37 0.53 -1.19 -0.44 -1.40 0.00 0.00 179.01 176.14 1vc9 h ASP 113 N 0.82 0.73 -0.69 1.42 3.32 -1.72 -2.10 116.42 118.19 1vc9 h ASP 113 Ca 0.29 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1vc9 h ASP 113 Cb 0.11 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1vc9 h ASP 113 CO -0.08 1.49 0.43 -0.07 -1.72 0.00 0.00 179.24 179.29 1vc9 h LEU 114 N 0.23 0.81 -0.29 1.55 3.38 -0.86 0.29 115.31 120.42 1vc9 h LEU 114 Ca -0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1vc9 h LEU 114 Cb 1.86 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1vc9 h LEU 114 CO 0.22 0.61 0.14 1.23 0.09 0.00 0.00 178.44 180.72 1vc9 h GLY 115 N 0.93 0.45 0.32 0.83 0.00 -1.17 -2.21 103.07 102.21 1vc9 h GLY 115 Ca 0.25 -0.22 0.11 0.00 0.00 0.00 0.00 47.33 47.47 1vc9 h GLY 115 CO -0.05 0.21 0.31 -2.00 0.00 0.00 0.00 176.54 175.01 1vc9 h LEU 116 N 0.33 0.34 -0.07 3.11 5.85 -0.90 -1.83 115.31 122.13 1vc9 h LEU 116 Ca 0.10 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1vc9 h LEU 116 Cb 0.13 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1vc9 h LEU 116 CO -0.01 0.17 0.04 0.25 -0.34 0.00 0.00 178.44 178.55 1vc9 h LEU 117 N 0.50 0.07 -1.09 2.25 5.85 -0.47 -0.79 115.31 121.63 1vc9 h LEU 117 Ca 0.37 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.00 1vc9 h LEU 117 Cb 0.48 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1vc9 h LEU 117 CO -0.33 0.06 -0.33 1.05 -0.34 0.00 0.00 178.44 178.54 1vc9 h GLU 118 N 0.09 0.22 -0.25 1.25 4.11 -0.90 -1.53 114.58 117.58 1vc9 h GLU 118 Ca 0.03 -0.09 -0.20 0.00 0.07 0.00 0.00 59.36 59.17 1vc9 h GLU 118 Cb -0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1vc9 h GLU 118 CO -0.01 0.53 -0.62 0.28 0.07 0.00 0.00 179.01 179.26 1vc9 h VAL 119 N 0.19 1.27 -0.63 -1.06 2.07 -1.19 -2.39 116.25 114.52 1vc9 h VAL 119 Ca 0.03 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 65.75 1vc9 h VAL 119 Cb 0.68 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1vc9 h VAL 119 CO 0.05 0.58 0.42 0.00 0.02 0.00 0.00 177.57 178.64 1vc9 h ALA 120 N 0.64 0.80 -0.82 1.67 0.00 -0.90 -1.98 119.26 118.67 1vc9 h ALA 120 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1vc9 h ALA 120 Cb 1.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1vc9 h ALA 120 CO 0.13 0.24 0.54 -0.07 0.00 0.00 0.00 179.25 180.09 1vc9 h LEU 121 N 0.86 0.91 -1.21 0.00 3.38 -1.16 0.27 115.31 118.37 1vc9 h LEU 121 Ca 0.23 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1vc9 h LEU 121 Cb -0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1vc9 h LEU 121 CO -0.05 0.65 -0.32 -0.33 0.09 0.00 0.00 178.44 178.48 1vc9 h GLU 122 N 1.07 0.00 -0.02 1.13 5.08 -0.85 -3.09 114.58 117.90 1vc9 h GLU 122 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1vc9 h GLU 122 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1vc9 h GLU 122 CO -0.08 0.32 -0.28 0.54 -1.00 0.00 0.00 179.01 178.51 1vc9 n ARG 123 N -3.66 1.57 -2.29 2.33 1.74 -0.52 -4.92 116.66 110.92 1vc9 n ARG 123 Ca -0.01 -1.16 -0.42 0.00 -0.77 0.00 0.00 57.85 55.49 1vc9 n ARG 123 Cb 0.43 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1vc9 n ARG 123 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1vc9 s LEU 124 N -2.09 3.51 0.54 0.55 2.96 0.85 -4.98 118.68 120.02 1vc9 s LEU 124 Ca 0.18 0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 54.61 1vc9 s LEU 124 Cb 0.16 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 1vc9 s LEU 124 CO 0.42 -1.61 1.31 -2.84 -1.32 0.00 0.00 176.35 172.32 1vc9 s PRO 125 N 5.33 3.17 0.00 0.98 0.02 -1.26 -5.01 135.00 138.23 1vc9 s PRO 125 Ca 0.62 2.12 0.25 0.00 0.02 0.00 0.00 61.00 64.01 1vc9 s PRO 125 Cb -0.14 -2.22 1.48 0.00 0.02 0.00 0.00 34.50 33.63 1vc9 s PRO 125 CO 0.30 -1.13 1.84 1.28 -0.33 0.00 0.00 177.00 178.96