#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bvx s VAL 17 N 0.00 2.03 -1.71 1.39 1.01 0.47 -4.02 120.40 119.58 2bvx s VAL 17 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2bvx s VAL 17 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.60 2bvx s VAL 17 CO 0.00 0.55 0.00 -0.62 0.00 0.00 0.00 175.10 175.03 2bvx n GLU 18 N 3.84 -1.15 0.00 2.72 -0.58 -1.26 -2.47 120.64 121.73 2bvx n GLU 18 Ca -0.20 1.07 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 2bvx n GLU 18 Cb 0.52 -5.26 0.00 0.00 -0.57 0.00 0.00 31.44 26.13 2bvx n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bvx n GLY 19 N -0.93 0.25 0.00 0.62 0.00 -1.26 -4.75 105.19 99.12 2bvx n GLY 19 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2bvx n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bvx n SER 20 N 0.00 0.00 -3.59 1.61 3.41 -0.92 -4.94 113.62 109.19 2bvx n SER 20 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.14 2bvx n SER 20 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2bvx n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2bvx n ASP 21 N 0.00 0.05 -4.84 4.04 9.92 -1.26 -2.55 116.55 121.91 2bvx n ASP 21 Ca 0.00 0.92 -0.30 0.00 -0.53 0.00 0.00 54.79 54.88 2bvx n ASP 21 Cb 0.00 -0.73 0.07 0.00 -0.64 0.00 0.00 41.12 39.82 2bvx n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bvx s ALA 22 N 0.14 2.55 0.19 2.24 0.00 -0.87 -4.83 121.76 121.20 2bvx s ALA 22 Ca 0.73 -0.22 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 2bvx s ALA 22 Cb -1.02 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 18.95 2bvx s ALA 22 CO 0.46 -1.43 0.50 -1.21 0.00 0.00 0.00 175.76 174.09 2bvx s GLU 23 N -5.22 3.78 0.12 0.00 2.02 -1.26 -5.01 118.70 113.13 2bvx s GLU 23 Ca 0.59 0.21 -0.33 0.00 0.02 0.00 0.00 54.97 55.46 2bvx s GLU 23 Cb -0.13 -2.73 -0.13 0.00 0.10 0.00 0.00 34.13 31.24 2bvx s GLU 23 CO 0.53 0.38 1.68 -0.89 0.02 0.00 0.00 175.26 176.98 2bvx n ILE 24 N 0.05 0.14 -1.94 -1.63 2.08 -1.26 -1.73 119.36 115.07 2bvx n ILE 24 Ca -0.01 -0.02 -0.06 0.00 0.56 0.00 0.00 62.75 63.22 2bvx n ILE 24 Cb 0.52 -1.73 -0.01 0.00 -0.75 0.00 0.00 39.64 37.68 2bvx n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2bvx n GLY 25 N 3.75 0.26 0.08 7.39 0.00 -1.26 -4.93 105.19 110.48 2bvx n GLY 25 Ca 0.18 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 2bvx n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2bvx h MET 26 N 0.00 0.00 -2.05 1.61 -1.53 -1.71 -3.40 114.93 107.85 2bvx h MET 26 Ca -0.13 0.00 -0.57 0.00 -3.44 0.00 0.00 59.70 55.56 2bvx h MET 26 Cb 0.97 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.62 2bvx h MET 26 CO 0.16 0.54 -0.98 0.43 0.14 0.00 0.00 176.91 177.20 2bvx n SER 27 N -3.08 1.11 0.00 1.39 7.64 -1.26 -4.94 113.62 114.49 2bvx n SER 27 Ca -0.11 -2.89 0.02 0.00 1.01 0.00 0.00 58.87 56.90 2bvx n SER 27 Cb 0.96 -0.65 0.11 0.00 -1.01 0.00 0.00 64.21 63.62 2bvx n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2bvx n PRO 28 N 1.25 0.07 0.00 1.43 -0.04 -1.26 -1.30 135.00 135.16 2bvx n PRO 28 Ca 0.23 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 64.00 2bvx n PRO 28 Cb 0.50 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2bvx n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2bvx n TRP 29 N -1.25 0.00 -1.88 0.54 2.14 -1.09 -0.81 117.44 115.08 2bvx n TRP 29 Ca 0.02 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.18 2bvx n TRP 29 Cb 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.52 2bvx n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2bvx s GLN 30 N -2.08 4.18 -0.02 -2.67 2.00 -0.42 -1.47 119.66 119.19 2bvx s GLN 30 Ca 0.16 2.46 0.03 0.00 -2.00 0.00 0.00 55.36 56.02 2bvx s GLN 30 Cb 0.15 -3.04 -0.00 0.00 0.80 0.00 0.00 33.01 30.92 2bvx s GLN 30 CO 0.45 -0.51 -0.12 0.08 -0.50 0.00 0.00 175.29 174.69 2bvx s VAL 31 N -0.32 1.01 -0.18 1.34 1.01 0.61 -4.14 120.40 119.73 2bvx s VAL 31 Ca 0.59 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 2bvx s VAL 31 Cb -0.45 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2bvx s VAL 31 CO 0.50 0.30 0.05 -0.32 0.00 0.00 0.00 175.10 175.63 2bvx s MET 32 N -0.05 3.94 -1.14 2.72 1.75 -0.95 -0.16 119.30 125.40 2bvx s MET 32 Ca 0.00 -0.36 -0.12 0.00 -1.25 0.00 0.00 55.69 53.96 2bvx s MET 32 Cb -0.08 -3.18 0.21 0.00 2.84 0.00 0.00 34.83 34.63 2bvx s MET 32 CO 0.00 0.28 1.26 -1.17 -0.65 0.00 0.00 175.02 174.74 2bvx s LEU 33 N 0.35 5.66 0.11 4.11 2.96 0.11 -2.02 118.68 129.95 2bvx s LEU 33 Ca 0.02 -3.17 -0.28 0.00 -0.22 0.00 0.00 54.13 50.48 2bvx s LEU 33 Cb -0.13 -2.31 -0.06 0.00 0.50 0.00 0.00 46.19 44.19 2bvx s LEU 33 CO 0.00 -0.57 0.88 0.12 -1.32 0.00 0.00 176.35 175.47 2bvx s PHE 34 N 0.42 3.82 -0.23 5.38 5.36 -0.52 -2.30 117.98 129.91 2bvx s PHE 34 Ca 0.36 1.70 -0.17 0.00 -0.96 0.00 0.00 56.93 57.87 2bvx s PHE 34 Cb -0.06 -2.95 -0.03 0.00 -0.34 0.00 0.00 43.02 39.64 2bvx s PHE 34 CO -0.04 0.29 0.45 0.50 -1.46 0.00 0.00 175.22 174.95 2bvx s ARG 35 N -0.27 4.12 0.10 10.12 3.52 -0.57 -0.35 118.95 135.62 2bvx s ARG 35 Ca 0.43 0.25 -0.23 0.00 -0.13 0.00 0.00 55.73 56.05 2bvx s ARG 35 Cb -0.23 -3.59 -0.07 0.00 -1.56 0.00 0.00 34.95 29.50 2bvx s ARG 35 CO 0.28 -0.19 1.38 0.87 -0.81 0.00 0.00 175.30 176.83 2bvx h LYS 36 N 7.71 -0.19 -2.94 5.12 1.57 -1.82 -2.96 116.57 123.07 2bvx h LYS 36 Ca -0.33 0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.25 2bvx h LYS 36 Cb 1.15 0.04 -0.32 0.00 0.08 0.00 0.00 32.23 33.19 2bvx h LYS 36 CO 0.71 -0.12 -0.52 0.45 -0.57 0.00 0.00 179.45 179.39 2bvx s SER 37 N -4.48 0.17 0.04 0.86 0.15 -1.26 -2.38 113.70 106.79 2bvx s SER 37 Ca -0.10 0.55 -0.30 0.00 0.70 0.00 0.00 55.95 56.80 2bvx s SER 37 Cb 0.06 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 2bvx s SER 37 CO 0.43 -0.21 1.07 -2.16 1.20 0.00 0.00 173.24 173.57 2bvx s PRO 37 N 2.01 4.52 -0.27 5.44 0.04 -1.26 -5.08 135.00 140.40 2bvx s PRO 37 Ca -0.02 1.57 -0.40 0.00 0.04 0.00 0.00 61.00 62.19 2bvx s PRO 37 Cb -0.11 -3.40 -0.16 0.00 0.04 0.00 0.00 34.50 30.87 2bvx s PRO 37 CO -0.08 -0.11 1.74 1.04 0.04 0.00 0.00 177.00 179.62 2bvx n GLN 38 N 3.77 1.15 -3.67 4.56 6.02 -1.00 -4.72 117.38 123.48 2bvx n GLN 38 Ca 0.07 0.42 -0.01 0.00 -0.01 0.00 0.00 57.00 57.47 2bvx n GLN 38 Cb 0.49 -2.10 -0.01 0.00 1.02 0.00 0.00 30.24 29.64 2bvx n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2bvx s GLU 39 N 3.48 0.74 0.70 -1.09 -1.05 -1.17 -4.96 118.70 115.35 2bvx s GLU 39 Ca 0.98 -0.40 -0.11 0.00 -0.15 0.00 0.00 54.97 55.28 2bvx s GLU 39 Cb -1.07 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 32.89 2bvx s GLU 39 CO 0.65 -0.34 1.07 -1.17 0.95 0.00 0.00 175.26 176.42 2bvx s LEU 40 N -2.93 3.17 0.20 1.83 2.96 -1.26 -1.51 118.68 121.13 2bvx s LEU 40 Ca 0.13 1.69 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 2bvx s LEU 40 Cb 0.02 -4.51 0.00 0.00 0.50 0.00 0.00 46.19 42.20 2bvx s LEU 40 CO -0.01 -1.53 0.00 0.18 -1.32 0.00 0.00 176.35 173.67 2bvx n LEU 41 N -3.05 -0.49 -3.44 -0.68 4.77 -0.97 -4.79 117.00 108.35 2bvx n LEU 41 Ca 0.08 0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2bvx n LEU 41 Cb 0.53 0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 42.22 2bvx n LEU 41 CO 0.54 -0.58 0.43 0.00 -1.33 0.00 0.00 177.39 176.45 2bvx s GLY 43 N -2.73 1.77 -0.13 0.00 0.00 0.45 0.06 107.32 106.74 2bvx s GLY 43 Ca 0.02 -1.56 -0.32 0.00 0.00 0.00 0.00 44.72 42.85 2bvx s GLY 43 CO -0.12 -1.02 1.10 0.00 0.00 0.00 0.00 173.10 173.05 2bvx s ALA 44 N -3.17 -1.98 0.21 3.20 0.00 0.77 -3.67 121.76 117.11 2bvx s ALA 44 Ca 0.65 1.43 0.10 0.00 0.00 0.00 0.00 51.96 54.14 2bvx s ALA 44 Cb -0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2bvx s ALA 44 CO 0.44 -0.58 -0.10 -1.54 0.00 0.00 0.00 175.76 173.98 2bvx s SER 45 N -2.11 4.16 -0.50 0.00 1.04 -0.66 0.23 113.70 115.85 2bvx s SER 45 Ca 0.07 -0.68 -0.17 0.00 0.48 0.00 0.00 55.95 55.66 2bvx s SER 45 Cb -0.01 -0.65 0.09 0.00 0.10 0.00 0.00 66.02 65.54 2bvx s SER 45 CO -0.06 0.07 0.48 -0.22 0.98 0.00 0.00 173.24 174.50 2bvx s LEU 46 N -3.08 5.62 0.01 2.42 2.96 -0.54 -1.52 118.68 124.55 2bvx s LEU 46 Ca 0.26 -1.37 -0.18 0.00 -0.22 0.00 0.00 54.13 52.63 2bvx s LEU 46 Cb -0.08 -2.24 -0.32 0.00 0.50 0.00 0.00 46.19 44.05 2bvx s LEU 46 CO 0.16 -0.78 1.00 0.16 -1.32 0.00 0.00 176.35 175.57 2bvx h ILE 47 N 5.82 1.36 -2.84 6.68 3.07 -1.70 0.23 117.51 130.12 2bvx h ILE 47 Ca -0.29 -2.55 0.00 0.00 1.55 0.00 0.00 64.86 63.57 2bvx h ILE 47 Cb 1.10 2.97 0.00 0.00 -0.27 0.00 0.00 36.82 40.62 2bvx h ILE 47 CO 0.95 0.75 0.00 -0.24 -1.05 0.00 0.00 178.15 178.56 2bvx n SER 48 N -3.89 0.94 -0.20 2.16 2.88 -1.12 -4.36 113.62 110.03 2bvx n SER 48 Ca -0.15 -0.89 0.13 0.00 -1.33 0.00 0.00 58.87 56.63 2bvx n SER 48 Cb 0.97 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.88 2bvx n SER 48 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bvx n ASP 49 N -1.84 0.84 -1.57 -3.46 -0.08 -1.26 -4.02 116.55 105.17 2bvx n ASP 49 Ca 0.00 -0.78 -0.01 0.00 -1.51 0.00 0.00 54.79 52.49 2bvx n ASP 49 Cb 0.00 0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.52 2bvx n ASP 49 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2bvx n ARG 50 N -0.75 0.31 -3.67 -0.67 0.63 -1.26 -3.11 116.66 108.14 2bvx n ARG 50 Ca 0.13 -1.75 -0.10 0.00 -0.92 0.00 0.00 57.85 55.21 2bvx n ARG 50 Cb 0.33 0.03 -0.11 0.00 0.45 0.00 0.00 32.46 33.16 2bvx n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2bvx s TRP 51 N -0.41 -0.63 0.07 -0.14 0.52 -1.26 -3.27 118.94 113.82 2bvx s TRP 51 Ca 0.19 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.64 2bvx s TRP 51 Cb 0.25 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.72 2bvx s TRP 51 CO -0.09 -0.40 -0.02 0.08 0.02 0.00 0.00 176.95 176.54 2bvx s VAL 52 N 2.23 3.95 -0.13 4.03 1.01 0.08 -2.36 120.40 129.20 2bvx s VAL 52 Ca -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2bvx s VAL 52 Cb -0.11 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2bvx s VAL 52 CO -0.11 0.20 -0.13 -0.22 0.00 0.00 0.00 175.10 174.83 2bvx s LEU 53 N -2.07 1.60 0.19 3.92 2.96 -0.58 -1.02 118.68 123.69 2bvx s LEU 53 Ca 0.23 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 2bvx s LEU 53 Cb -0.12 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 2bvx s LEU 53 CO 0.15 -0.04 0.17 0.28 -1.32 0.00 0.00 176.35 175.59 2bvx s THR 54 N 1.36 0.03 0.16 3.68 -1.32 -0.94 -1.66 115.64 116.96 2bvx s THR 54 Ca 0.01 -1.85 -0.31 0.00 -1.21 0.00 0.00 61.69 58.33 2bvx s THR 54 Cb -0.13 -2.31 -0.09 0.00 -1.51 0.00 0.00 72.50 68.45 2bvx s THR 54 CO -0.07 -0.12 1.50 0.00 -2.21 0.00 0.00 174.62 173.72 2bvx s ALA 55 N -4.10 3.71 0.21 11.08 0.00 -1.26 -2.26 121.76 129.13 2bvx s ALA 55 Ca 0.32 1.30 -0.10 0.00 0.00 0.00 0.00 51.96 53.48 2bvx s ALA 55 Cb 0.06 -3.59 0.24 0.00 0.00 0.00 0.00 23.12 19.83 2bvx s ALA 55 CO 0.08 -0.73 1.79 0.00 0.00 0.00 0.00 175.76 176.90 2bvx h ALA 56 N 6.56 0.84 0.00 0.00 0.00 -1.62 -2.38 119.26 122.66 2bvx h ALA 56 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bvx h ALA 56 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2bvx h ALA 56 CO 0.88 -0.03 0.00 -2.39 0.00 0.00 0.00 179.25 177.71 2bvx n HIS 57 N -4.85 0.00 0.62 0.00 1.44 -1.26 -1.52 115.22 109.64 2bvx n HIS 57 Ca 0.08 -0.07 0.07 0.00 -2.01 0.00 0.00 57.72 55.79 2bvx n HIS 57 Cb 0.20 -0.08 0.01 0.00 0.12 0.00 0.00 29.99 30.23 2bvx n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bvx n LEU 59 N -0.01 0.00 -3.77 0.00 4.77 -0.58 -4.88 117.00 112.53 2bvx n LEU 59 Ca 0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 2bvx n LEU 59 Cb 0.30 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.23 2bvx n LEU 59 CO 0.16 0.00 -0.38 -0.22 -1.33 0.00 0.00 177.39 175.62 2bvx s LEU 60 N -1.72 1.03 0.13 2.23 2.96 -1.03 -0.75 118.68 121.53 2bvx s LEU 60 Ca 0.00 -0.54 -0.24 0.00 -0.22 0.00 0.00 54.13 53.13 2bvx s LEU 60 Cb 0.00 -0.59 0.07 0.00 0.50 0.00 0.00 46.19 46.18 2bvx s LEU 60 CO 0.00 -0.25 0.67 -0.47 -1.32 0.00 0.00 176.35 174.99 2bvx s TYR 60 N 1.87 -0.47 0.00 5.38 5.04 0.25 -4.18 117.35 125.24 2bvx s TYR 60 Ca 0.01 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.90 2bvx s TYR 60 Cb -0.15 0.57 0.00 0.00 0.35 0.00 0.00 41.96 42.72 2bvx s TYR 60 CO -0.07 -0.81 0.00 -2.30 -1.34 0.00 0.00 175.55 171.03 2bvx n PRO 60 N -0.36 0.00 -0.30 4.97 -0.02 -1.26 -2.44 135.00 135.59 2bvx n PRO 60 Ca -0.14 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2bvx n PRO 60 Cb 0.64 -0.43 0.21 0.00 -0.02 0.00 0.00 33.50 33.90 2bvx n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2bvx n TRP 60 N 0.00 0.71 -3.29 6.00 8.01 -1.26 -4.95 117.44 122.67 2bvx n TRP 60 Ca 0.00 -0.60 -0.24 0.00 -1.31 0.00 0.00 57.50 55.35 2bvx n TRP 60 Cb 0.00 -0.12 0.04 0.00 -2.01 0.00 0.00 31.31 29.23 2bvx n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2bvx n ASP 60 N 0.41 -5.91 -4.25 -0.99 8.00 -1.19 -4.93 116.55 107.68 2bvx n ASP 60 Ca 0.16 -0.41 -0.43 0.00 0.71 0.00 0.00 54.79 54.82 2bvx n ASP 60 Cb 0.60 -4.74 -0.07 0.00 -0.02 0.00 0.00 41.12 36.89 2bvx n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2bvx s LYS 60 N -5.98 2.79 -0.37 -1.24 2.20 -1.02 -4.90 119.74 111.21 2bvx s LYS 60 Ca 0.42 -1.90 0.14 0.00 -0.36 0.00 0.00 55.97 54.27 2bvx s LYS 60 Cb -0.19 -4.09 0.42 0.00 -1.51 0.00 0.00 37.83 32.45 2bvx s LYS 60 CO 0.52 -1.25 0.91 -1.71 -0.36 0.00 0.00 175.35 173.46 2bvx n ASN 60 N 4.78 1.86 -4.57 1.43 5.15 -1.22 0.84 115.26 123.54 2bvx n ASN 60 Ca -0.06 -2.98 -0.40 0.00 -0.60 0.00 0.00 54.58 50.54 2bvx n ASN 60 Cb 0.41 -0.55 0.03 0.00 -0.53 0.00 0.00 39.78 39.14 2bvx n ASN 60 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2bvx n PHE 60 N -0.03 0.52 -4.06 1.20 3.72 0.07 -4.96 117.46 113.93 2bvx n PHE 60 Ca 0.19 0.51 -0.25 0.00 -0.05 0.00 0.00 57.45 57.84 2bvx n PHE 60 Cb 0.73 -2.12 -0.05 0.00 -0.94 0.00 0.00 39.48 37.09 2bvx n PHE 60 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2bvx s THR 60 N -1.45 2.11 0.12 4.37 -1.32 -1.26 -4.81 115.64 113.41 2bvx s THR 60 Ca 0.68 -1.64 -0.30 0.00 -1.21 0.00 0.00 61.69 59.22 2bvx s THR 60 Cb -0.50 -2.75 -0.08 0.00 -1.51 0.00 0.00 72.50 67.66 2bvx s THR 60 CO 0.54 0.00 1.59 -0.33 -2.21 0.00 0.00 174.62 174.20 2bvx h GLU 61 N 1.23 -0.55 -0.19 7.08 3.07 -1.95 -1.64 114.58 121.63 2bvx h GLU 61 Ca -0.41 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 2bvx h GLU 61 Cb 1.27 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 2bvx h GLU 61 CO 0.66 -0.36 0.00 -1.71 -1.40 0.00 0.00 179.01 176.20 2bvx n ASN 62 N -5.45 0.19 -0.00 1.42 2.85 -1.26 -2.65 115.26 110.36 2bvx n ASN 62 Ca -0.06 -0.60 0.06 0.00 -0.11 0.00 0.00 54.58 53.88 2bvx n ASN 62 Cb 0.37 -0.10 -0.08 0.00 1.24 0.00 0.00 39.78 41.21 2bvx n ASN 62 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2bvx n ASP 63 N 0.04 1.52 -4.27 1.20 9.92 -0.62 -5.02 116.55 119.34 2bvx n ASP 63 Ca 0.00 -0.33 -0.23 0.00 -0.53 0.00 0.00 54.79 53.70 2bvx n ASP 63 Cb 0.05 1.32 -0.09 0.00 -0.64 0.00 0.00 41.12 41.76 2bvx n ASP 63 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2bvx s LEU 64 N -3.30 2.03 -0.01 0.64 1.02 -1.08 -2.65 118.68 115.33 2bvx s LEU 64 Ca -0.01 -1.54 -0.00 0.00 0.02 0.00 0.00 54.13 52.60 2bvx s LEU 64 Cb 0.08 -0.21 0.01 0.00 0.02 0.00 0.00 46.19 46.10 2bvx s LEU 64 CO 0.50 -0.80 0.02 -0.76 0.02 0.00 0.00 176.35 175.33 2bvx s LEU 65 N -3.54 1.70 0.06 1.79 1.43 0.52 -4.44 118.68 116.20 2bvx s LEU 65 Ca 0.29 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 2bvx s LEU 65 Cb 0.05 0.02 -0.06 0.00 0.03 0.00 0.00 46.19 46.23 2bvx s LEU 65 CO 0.15 -0.04 0.41 -0.69 0.23 0.00 0.00 176.35 176.41 2bvx s VAL 66 N 0.30 5.06 -0.28 -1.59 1.01 -0.80 -1.44 120.40 122.66 2bvx s VAL 66 Ca -0.02 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 2bvx s VAL 66 Cb -0.04 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.77 2bvx s VAL 66 CO -0.01 0.37 0.10 -0.13 0.00 0.00 0.00 175.10 175.43 2bvx s ARG 67 N -1.67 0.45 0.03 2.72 0.52 -0.86 -1.65 118.95 118.50 2bvx s ARG 67 Ca 0.31 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2bvx s ARG 67 Cb -0.15 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.63 2bvx s ARG 67 CO 0.17 -0.93 0.22 0.42 0.02 0.00 0.00 175.30 175.19 2bvx s ILE 68 N 1.88 5.38 0.00 1.52 1.01 -0.18 -2.24 121.20 128.58 2bvx s ILE 68 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2bvx s ILE 68 Cb -0.17 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2bvx s ILE 68 CO -0.27 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2bvx n GLY 69 N 0.64 0.99 3.93 6.18 0.00 -1.26 0.10 105.19 115.77 2bvx n GLY 69 Ca -0.08 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 2bvx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bvx s LYS 70 N -2.45 3.07 0.00 1.61 1.02 -1.26 -3.33 119.74 118.40 2bvx s LYS 70 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.96 2bvx s LYS 70 Cb 0.00 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2bvx s LYS 70 CO 0.00 0.19 0.00 1.58 -0.92 0.00 0.00 175.35 176.20 2bvx n HIS 71 N -1.47 0.00 -3.44 3.18 -0.00 -1.26 -4.95 115.22 107.27 2bvx n HIS 71 Ca -0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.31 2bvx n HIS 71 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.51 2bvx n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2bvx s SER 72 N -1.73 6.80 0.26 0.26 0.15 -1.26 -0.27 113.70 117.91 2bvx s SER 72 Ca 0.00 0.95 0.16 0.00 0.70 0.00 0.00 55.95 57.76 2bvx s SER 72 Cb 0.00 -2.27 0.06 0.00 -1.71 0.00 0.00 66.02 62.10 2bvx s SER 72 CO 0.00 0.25 1.36 -0.09 1.20 0.00 0.00 173.24 175.96 2bvx h ARG 73 N 5.17 0.00 0.00 5.44 2.43 -1.81 -3.41 114.38 122.20 2bvx h ARG 73 Ca -0.49 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.47 2bvx h ARG 73 Cb 1.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 2bvx h ARG 73 CO 0.65 0.42 -1.78 0.25 -1.51 0.00 0.00 179.97 177.99 2bvx n THR 74 N -3.15 0.79 -2.74 0.20 -2.24 -1.26 -5.02 114.28 100.85 2bvx n THR 74 Ca 0.01 -0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 2bvx n THR 74 Cb 0.73 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 2bvx n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bvx s ARG 75 N -2.28 4.51 -1.39 -0.78 1.70 -1.26 -4.95 118.95 114.51 2bvx s ARG 75 Ca -0.18 1.36 -0.16 0.00 -0.47 0.00 0.00 55.73 56.29 2bvx s ARG 75 Cb 0.05 -2.75 0.05 0.00 -0.57 0.00 0.00 34.95 31.73 2bvx s ARG 75 CO 0.33 0.20 2.03 0.98 -1.08 0.00 0.00 175.30 177.76 2bvx n TYR 76 N 0.44 3.98 -1.51 5.89 9.36 -1.26 -4.83 117.16 129.23 2bvx n TYR 76 Ca 0.02 -2.91 -0.22 0.00 3.32 0.00 0.00 57.90 58.12 2bvx n TYR 76 Cb 0.50 -2.59 -0.20 0.00 -0.63 0.00 0.00 39.34 36.42 2bvx n TYR 76 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2bvx n GLU 77 N 7.05 0.08 -2.09 2.98 1.02 -1.26 -4.83 120.64 123.59 2bvx n GLU 77 Ca 0.51 -0.11 -0.35 0.00 -0.02 0.00 0.00 57.16 57.19 2bvx n GLU 77 Cb 0.42 -1.38 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 2bvx n GLU 77 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2bvx s ARG 77 N 7.35 3.12 0.00 3.49 3.52 -1.26 -1.43 118.95 133.74 2bvx s ARG 77 Ca 1.27 1.66 0.00 0.00 -0.13 0.00 0.00 55.73 58.53 2bvx s ARG 77 Cb -0.77 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 2bvx s ARG 77 CO 0.50 -1.05 0.00 0.09 -0.81 0.00 0.00 175.30 174.03 2bvx n ASN 78 N -1.58 0.00 -0.05 -2.12 5.03 -1.26 -4.60 115.26 110.68 2bvx n ASN 78 Ca 0.12 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.53 2bvx n ASN 78 Cb 0.51 -0.11 -0.01 0.00 -1.02 0.00 0.00 39.78 39.14 2bvx n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2bvx n ILE 79 N -0.82 0.84 -1.46 2.41 5.41 -1.20 -5.01 119.36 119.51 2bvx n ILE 79 Ca 0.00 0.31 -0.30 0.00 1.00 0.00 0.00 62.75 63.76 2bvx n ILE 79 Cb 0.00 -1.99 0.10 0.00 -0.71 0.00 0.00 39.64 37.04 2bvx n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2bvx s GLU 80 N -1.96 1.97 0.01 0.38 -1.05 -0.52 -4.74 118.70 112.79 2bvx s GLU 80 Ca -0.14 0.72 0.01 0.00 -0.15 0.00 0.00 54.97 55.42 2bvx s GLU 80 Cb 0.02 -1.90 -0.01 0.00 -0.44 0.00 0.00 34.13 31.80 2bvx s GLU 80 CO 0.20 -1.72 -0.04 0.15 0.95 0.00 0.00 175.26 174.80 2bvx s LYS 81 N -5.09 0.32 -0.30 -4.83 -0.14 0.11 -4.90 119.74 104.91 2bvx s LYS 81 Ca 0.61 -0.38 0.03 0.00 -1.36 0.00 0.00 55.97 54.87 2bvx s LYS 81 Cb -0.15 -0.15 0.08 0.00 -1.68 0.00 0.00 37.83 35.93 2bvx s LYS 81 CO 0.55 0.03 -0.02 0.42 -0.76 0.00 0.00 175.35 175.57 2bvx s ILE 82 N -0.73 2.19 -0.12 2.17 1.01 -1.26 -1.01 121.20 123.45 2bvx s ILE 82 Ca -0.06 -2.01 -0.03 0.00 0.00 0.00 0.00 60.65 58.55 2bvx s ILE 82 Cb -0.05 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 2bvx s ILE 82 CO -0.00 -0.35 0.00 -0.55 0.00 0.00 0.00 174.94 174.04 2bvx s SER 83 N 1.01 5.19 0.66 3.58 0.15 -0.66 -4.93 113.70 118.71 2bvx s SER 83 Ca 0.02 0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 2bvx s SER 83 Cb -0.19 -1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 2bvx s SER 83 CO -0.07 0.28 1.05 -0.04 1.20 0.00 0.00 173.24 175.66 2bvx s MET 84 N -0.31 3.21 0.27 5.44 1.00 -1.26 -1.90 119.30 125.74 2bvx s MET 84 Ca 0.07 0.85 -0.13 0.00 0.00 0.00 0.00 55.69 56.47 2bvx s MET 84 Cb -0.12 -2.03 -0.08 0.00 0.00 0.00 0.00 34.83 32.60 2bvx s MET 84 CO 0.02 -0.87 0.65 -0.51 0.00 0.00 0.00 175.02 174.30 2bvx s LEU 85 N -5.39 4.14 -0.00 -0.03 1.43 -1.26 -2.81 118.68 114.77 2bvx s LEU 85 Ca 0.57 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 2bvx s LEU 85 Cb -0.13 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 2bvx s LEU 85 CO 0.54 -0.12 0.17 1.21 0.23 0.00 0.00 176.35 178.38 2bvx n GLU 86 N -0.13 4.49 0.00 1.70 2.13 0.17 -4.69 120.64 124.32 2bvx n GLU 86 Ca 0.01 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2bvx n GLU 86 Cb 0.53 -0.78 0.00 0.00 0.27 0.00 0.00 31.44 31.45 2bvx n GLU 86 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2bvx n LYS 87 N -1.21 0.00 -3.57 5.31 3.00 -1.22 -4.96 118.16 115.50 2bvx n LYS 87 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 2bvx n LYS 87 Cb 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.00 2bvx n LYS 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2bvx s ILE 88 N 0.00 5.20 -0.36 3.15 1.01 -1.26 -1.94 121.20 126.99 2bvx s ILE 88 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 2bvx s ILE 88 Cb 0.00 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.94 2bvx s ILE 88 CO 0.00 0.12 0.16 -0.31 0.00 0.00 0.00 174.94 174.91 2bvx s TYR 89 N 1.73 3.28 0.06 3.97 1.51 -0.28 -4.99 117.35 122.62 2bvx s TYR 89 Ca 0.06 -1.37 0.02 0.00 -1.01 0.00 0.00 57.07 54.77 2bvx s TYR 89 Cb -0.17 -2.47 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 2bvx s TYR 89 CO 0.10 -0.74 0.11 0.42 -1.11 0.00 0.00 175.55 174.33 2bvx s ILE 90 N 1.43 4.76 0.03 2.71 1.01 -1.26 -0.26 121.20 129.63 2bvx s ILE 90 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2bvx s ILE 90 Cb -0.20 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 2bvx s ILE 90 CO 0.03 0.16 1.79 -2.28 0.00 0.00 0.00 174.94 174.64 2bvx s HIS 91 N -1.39 1.86 0.61 3.97 5.65 -1.23 -4.84 115.29 119.93 2bvx s HIS 91 Ca 0.30 -0.03 0.30 0.00 0.25 0.00 0.00 55.06 55.88 2bvx s HIS 91 Cb -0.12 -4.08 1.64 0.00 -1.18 0.00 0.00 32.58 28.85 2bvx s HIS 91 CO 0.22 -4.59 1.92 -1.00 -0.65 0.00 0.00 174.74 170.65 2bvx h PRO 92 N 9.50 0.00 -1.27 2.88 0.13 -1.95 -1.91 132.00 139.38 2bvx h PRO 92 Ca -0.45 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 2bvx h PRO 92 Cb 1.21 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.93 2bvx h PRO 92 CO 0.94 0.00 -0.56 0.54 -0.23 0.00 0.00 178.00 178.69 2bvx n ARG 93 N -2.85 3.41 -2.89 0.86 1.74 -1.26 -4.98 116.66 110.70 2bvx n ARG 93 Ca -0.02 -4.27 -0.43 0.00 -0.77 0.00 0.00 57.85 52.36 2bvx n ARG 93 Cb 0.34 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.46 29.48 2bvx n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2bvx s TYR 94 N -3.61 2.76 -1.13 -1.55 5.04 -0.72 -4.64 117.35 113.50 2bvx s TYR 94 Ca 0.50 -0.38 -0.21 0.00 -2.44 0.00 0.00 57.07 54.54 2bvx s TYR 94 Cb 0.41 -4.13 0.06 0.00 0.35 0.00 0.00 41.96 38.65 2bvx s TYR 94 CO -0.12 -1.47 1.56 1.21 -1.34 0.00 0.00 175.55 175.38 2bvx s ASN 95 N 3.29 6.63 0.00 4.32 2.47 -0.55 -4.74 114.94 126.36 2bvx s ASN 95 Ca 0.24 -1.84 0.29 0.00 0.42 0.00 0.00 52.86 51.96 2bvx s ASN 95 Cb -0.16 -2.57 1.21 0.00 -1.45 0.00 0.00 41.25 38.28 2bvx s ASN 95 CO 0.13 -1.37 1.87 -2.67 -3.72 0.00 0.00 177.10 171.34 2bvx n TRP 96 N 8.67 0.00 0.10 0.43 4.27 -1.26 0.02 117.44 129.66 2bvx n TRP 96 Ca 0.39 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.76 2bvx n TRP 96 Cb 0.49 -0.30 -0.15 0.00 -1.36 0.00 0.00 31.31 29.99 2bvx n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2bvx h ARG 97 N 0.20 0.44 0.00 -2.67 3.08 -2.00 -3.43 114.38 110.00 2bvx h ARG 97 Ca 0.00 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.30 2bvx h ARG 97 Cb 0.40 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2bvx h ARG 97 CO 0.00 1.36 -0.81 -1.91 -1.07 0.00 0.00 179.97 177.54 2bvx n GLU 97 N -3.67 0.43 -1.16 0.04 2.13 -1.25 -4.95 120.64 112.21 2bvx n GLU 97 Ca -0.22 0.17 0.01 0.00 0.66 0.00 0.00 57.16 57.78 2bvx n GLU 97 Cb 1.07 -1.25 -0.00 0.00 0.27 0.00 0.00 31.44 31.53 2bvx n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2bvx n ASN 98 N -4.13 0.32 -3.80 4.31 6.94 -1.23 -4.97 115.26 112.70 2bvx n ASN 98 Ca -0.11 -1.93 -0.24 0.00 -0.02 0.00 0.00 54.58 52.27 2bvx n ASN 98 Cb 0.42 -0.13 0.01 0.00 -2.36 0.00 0.00 39.78 37.72 2bvx n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2bvx n LEU 99 N 0.27 -2.72 -4.79 -4.53 4.77 0.10 -4.94 117.00 105.16 2bvx n LEU 99 Ca -0.03 -0.92 -0.38 0.00 -0.03 0.00 0.00 56.01 54.64 2bvx n LEU 99 Cb 0.93 -2.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.52 2bvx n LEU 99 CO -0.05 0.42 0.41 -0.62 -1.33 0.00 0.00 177.39 176.22 2bvx s ASP 100 N -4.27 7.23 -1.25 -1.43 2.15 -1.09 -3.66 116.67 114.35 2bvx s ASP 100 Ca 0.06 1.49 -0.05 0.00 0.43 0.00 0.00 52.55 54.48 2bvx s ASP 100 Cb -0.02 -2.44 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2bvx s ASP 100 CO 0.85 0.19 0.63 0.54 -0.17 0.00 0.00 175.17 177.21 2bvx n ARG 101 N 1.44 -4.71 -0.85 4.34 1.74 -1.26 -1.49 116.66 115.88 2bvx n ARG 101 Ca -0.06 0.74 -0.23 0.00 -0.77 0.00 0.00 57.85 57.52 2bvx n ARG 101 Cb 0.50 -5.29 -0.04 0.00 -1.02 0.00 0.00 32.46 26.61 2bvx n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2bvx n ASP 102 N -1.89 5.50 -4.55 0.55 2.03 -1.24 -4.52 116.55 112.44 2bvx n ASP 102 Ca -0.07 -2.34 -0.24 0.00 0.52 0.00 0.00 54.79 52.66 2bvx n ASP 102 Cb 0.59 -1.17 -0.09 0.00 -0.72 0.00 0.00 41.12 39.73 2bvx n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bvx s ILE 103 N 2.84 2.71 -0.21 5.18 2.07 -1.26 -2.31 121.20 130.21 2bvx s ILE 103 Ca 0.47 -2.19 -0.27 0.00 -1.41 0.00 0.00 60.65 57.24 2bvx s ILE 103 Cb 0.14 -2.56 0.12 0.00 0.13 0.00 0.00 42.46 40.29 2bvx s ILE 103 CO -0.03 -0.33 0.97 0.00 -1.91 0.00 0.00 174.94 173.64 2bvx s ALA 104 N -2.48 -1.93 0.27 1.50 0.00 -0.96 -3.49 121.76 114.68 2bvx s ALA 104 Ca 0.31 1.73 0.10 0.00 0.00 0.00 0.00 51.96 54.10 2bvx s ALA 104 Cb -0.04 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 2bvx s ALA 104 CO 0.17 -0.28 -0.05 -0.51 0.00 0.00 0.00 175.76 175.09 2bvx s LEU 105 N -0.40 3.04 -0.06 0.00 1.43 0.65 -2.20 118.68 121.13 2bvx s LEU 105 Ca -0.00 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2bvx s LEU 105 Cb -0.03 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.68 2bvx s LEU 105 CO -0.01 0.00 0.13 -0.04 0.23 0.00 0.00 176.35 176.66 2bvx s MET 106 N -3.64 0.07 -0.27 1.70 -1.94 -0.19 -1.13 119.30 113.90 2bvx s MET 106 Ca 0.31 0.34 -0.11 0.00 -1.71 0.00 0.00 55.69 54.52 2bvx s MET 106 Cb -0.06 -0.18 -0.05 0.00 2.01 0.00 0.00 34.83 36.55 2bvx s MET 106 CO 0.19 -0.16 0.18 0.21 -0.01 0.00 0.00 175.02 175.43 2bvx s LYS 107 N 1.12 3.96 0.26 2.03 2.20 -0.82 -0.74 119.74 127.74 2bvx s LYS 107 Ca -0.09 -0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 2bvx s LYS 107 Cb -0.11 -3.64 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 2bvx s LYS 107 CO -0.05 -0.15 0.95 -0.51 -0.36 0.00 0.00 175.35 175.22 2bvx s LEU 108 N 1.68 4.59 0.10 5.43 1.43 -1.20 0.45 118.68 131.14 2bvx s LEU 108 Ca 0.07 1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 54.82 2bvx s LEU 108 Cb -0.16 -3.68 -0.13 0.00 0.03 0.00 0.00 46.19 42.25 2bvx s LEU 108 CO 0.10 0.11 1.63 0.11 0.23 0.00 0.00 176.35 178.53 2bvx h LYS 109 N 3.96 -0.60 -5.33 1.70 1.57 -1.80 -3.42 116.57 112.66 2bvx h LYS 109 Ca -0.45 0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 57.70 2bvx h LYS 109 Cb 1.20 0.14 -0.31 0.00 0.08 0.00 0.00 32.23 33.34 2bvx h LYS 109 CO 0.67 -0.40 -0.83 0.15 -0.57 0.00 0.00 179.45 178.47 2bvx s LYS 110 N -6.05 3.18 0.12 3.15 1.02 -1.26 -5.05 119.74 114.85 2bvx s LYS 110 Ca -0.16 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 54.72 2bvx s LYS 110 Cb 0.06 -2.44 -0.10 0.00 -0.52 0.00 0.00 37.83 34.83 2bvx s LYS 110 CO 0.64 0.19 1.81 -1.25 -0.92 0.00 0.00 175.35 175.82 2bvx s PRO 111 N 0.36 4.14 0.89 -1.68 0.04 -1.26 -4.98 135.00 132.51 2bvx s PRO 111 Ca -0.15 2.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 2bvx s PRO 111 Cb -0.17 -3.59 0.13 0.00 0.04 0.00 0.00 34.50 30.90 2bvx s PRO 111 CO 0.07 -0.83 1.09 0.54 0.04 0.00 0.00 177.00 177.92 2bvx s VAL 112 N 2.73 2.65 -0.18 -0.36 0.11 -1.18 -5.03 120.40 119.12 2bvx s VAL 112 Ca 0.80 0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 59.99 2bvx s VAL 112 Cb -0.45 -2.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 2bvx s VAL 112 CO 0.36 -0.27 0.05 0.00 -3.33 0.00 0.00 175.10 171.90 2bvx s ALA 113 N -2.96 3.32 1.13 1.54 0.00 -1.26 -4.98 121.76 118.55 2bvx s ALA 113 Ca 0.63 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 2bvx s ALA 113 Cb -0.18 -1.88 0.25 0.00 0.00 0.00 0.00 23.12 21.32 2bvx s ALA 113 CO 0.57 0.12 1.07 -0.06 0.00 0.00 0.00 175.76 177.46 2bvx s PHE 114 N 0.48 1.33 0.00 0.00 0.08 -1.26 -4.94 117.98 113.67 2bvx s PHE 114 Ca 0.02 0.86 0.00 0.00 0.12 0.00 0.00 56.93 57.93 2bvx s PHE 114 Cb -0.13 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 2bvx s PHE 114 CO 0.01 -3.55 0.00 -1.13 -0.10 0.00 0.00 175.22 170.45 2bvx n SER 115 N -4.62 0.00 0.14 1.36 3.41 -0.28 -4.91 113.62 108.72 2bvx n SER 115 Ca 0.07 -0.15 0.13 0.00 -0.26 0.00 0.00 58.87 58.65 2bvx n SER 115 Cb 0.57 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.88 2bvx n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2bvx h ASP 116 N 0.00 0.00 -0.01 4.04 5.19 -1.99 -3.22 116.42 120.42 2bvx h ASP 116 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bvx h ASP 116 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2bvx h ASP 116 CO 0.00 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.90 2bvx n TYR 117 N -2.49 0.01 -3.71 4.55 4.01 -1.26 -4.78 117.16 113.49 2bvx n TYR 117 Ca 0.05 -0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.48 2bvx n TYR 117 Cb 0.44 -0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.32 2bvx n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2bvx s ILE 118 N -0.36 0.68 -0.05 -0.72 1.01 -1.22 -4.22 121.20 116.32 2bvx s ILE 118 Ca 0.05 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.54 2bvx s ILE 118 Cb 0.03 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.09 2bvx s ILE 118 CO 0.05 -0.57 0.14 -2.28 0.00 0.00 0.00 174.94 172.28 2bvx s HIS 119 N 1.74 -0.15 0.82 3.97 2.46 0.01 -1.13 115.29 123.00 2bvx s HIS 119 Ca 0.07 0.38 -0.11 0.00 0.47 0.00 0.00 55.06 55.87 2bvx s HIS 119 Cb -0.17 0.03 0.09 0.00 -0.13 0.00 0.00 32.58 32.40 2bvx s HIS 119 CO -0.23 -0.09 1.12 -1.25 -2.47 0.00 0.00 174.74 171.83 2bvx s PRO 120 N 0.25 1.79 0.06 2.88 0.04 -1.26 -2.69 135.00 136.07 2bvx s PRO 120 Ca -0.01 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.44 2bvx s PRO 120 Cb -0.03 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2bvx s PRO 120 CO -0.01 -2.02 -0.07 0.54 0.04 0.00 0.00 177.00 175.48 2bvx s VAL 121 N -2.73 3.59 0.42 -0.36 0.11 0.79 -4.90 120.40 117.33 2bvx s VAL 121 Ca 0.64 -1.02 -0.21 0.00 -2.93 0.00 0.00 61.98 58.46 2bvx s VAL 121 Cb -0.20 -2.64 -0.11 0.00 -1.53 0.00 0.00 36.38 31.90 2bvx s VAL 121 CO 0.55 0.23 0.95 0.00 -3.33 0.00 0.00 175.10 173.51 2bvx s LEU 123 N -3.10 4.24 1.12 0.00 1.43 -1.26 -2.43 118.68 118.68 2bvx s LEU 123 Ca 0.61 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.91 2bvx s LEU 123 Cb -0.10 -2.29 0.25 0.00 0.03 0.00 0.00 46.19 44.08 2bvx s LEU 123 CO 0.14 0.33 1.08 -2.16 0.23 0.00 0.00 176.35 175.97 2bvx s PRO 124 N -1.47 -0.52 0.00 1.29 0.04 -1.26 -4.93 135.00 128.15 2bvx s PRO 124 Ca 0.21 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2bvx s PRO 124 Cb -0.12 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2bvx s PRO 124 CO 0.11 -3.33 0.00 -0.40 0.04 0.00 0.00 177.00 173.42 2bvx n ASP 125 N -4.57 1.65 -0.03 6.66 5.68 -1.26 -4.94 116.55 119.74 2bvx n ASP 125 Ca 0.07 -0.89 -0.07 0.00 -0.50 0.00 0.00 54.79 53.41 2bvx n ASP 125 Cb 0.58 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.66 2bvx n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2bvx h ARG 126 N 0.00 0.63 0.15 0.11 2.43 -1.98 -3.37 114.38 112.36 2bvx h ARG 126 Ca 0.00 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2bvx h ARG 126 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2bvx h ARG 126 CO 0.00 0.88 -0.07 0.93 -1.51 0.00 0.00 179.97 180.20 2bvx h GLU 127 N 0.53 -0.20 0.00 0.20 3.07 -2.04 -2.27 114.58 113.88 2bvx h GLU 127 Ca 0.06 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2bvx h GLU 127 Cb 0.85 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 2bvx h GLU 127 CO 0.07 -0.13 0.00 2.41 -1.40 0.00 0.00 179.01 179.96 2bvx n THR 128 N -3.16 0.00 0.00 1.13 -1.04 -1.26 -2.20 114.28 107.75 2bvx n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2bvx n THR 128 Cb 0.08 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 2bvx n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bvx n ALA 129 N 0.09 0.00 -0.01 2.41 0.00 -0.85 -0.98 120.51 121.16 2bvx n ALA 129 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2bvx n ALA 129 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2bvx n ALA 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bvx n SER 129 N 0.00 3.98 0.22 0.00 3.41 -0.94 -4.73 113.62 115.57 2bvx n SER 129 Ca 0.00 -0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 2bvx n SER 129 Cb 0.00 0.10 0.27 0.00 -0.26 0.00 0.00 64.21 64.32 2bvx n SER 129 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2bvx h LEU 129 N 0.00 0.00 -7.64 1.04 3.38 -1.32 -3.39 115.31 107.38 2bvx h LEU 129 Ca -0.05 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.18 2bvx h LEU 129 Cb 1.09 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.68 2bvx h LEU 129 CO -0.01 0.08 1.54 0.18 0.09 0.00 0.00 178.44 180.33 2bvx n LEU 130 N -3.13 5.29 -3.86 1.67 4.77 -1.26 -4.90 117.00 115.58 2bvx n LEU 130 Ca 0.03 -4.39 -0.12 0.00 -0.03 0.00 0.00 56.01 51.49 2bvx n LEU 130 Cb 0.51 -1.63 -0.14 0.00 -2.33 0.00 0.00 43.42 39.83 2bvx n LEU 130 CO 0.34 0.69 -0.33 -1.10 -1.33 0.00 0.00 177.39 175.66 2bvx s GLN 131 N 1.88 0.03 0.24 3.23 -0.21 -1.26 -4.97 119.66 118.59 2bvx s GLN 131 Ca 0.44 0.04 -0.31 0.00 0.02 0.00 0.00 55.36 55.55 2bvx s GLN 131 Cb -0.01 0.01 -0.14 0.00 1.00 0.00 0.00 33.01 33.87 2bvx s GLN 131 CO 0.01 -0.01 1.31 0.00 -2.12 0.00 0.00 175.29 174.49 2bvx n ALA 132 N 3.09 0.61 0.00 6.09 0.00 -1.26 -1.99 120.51 127.05 2bvx n ALA 132 Ca -0.12 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2bvx n ALA 132 Cb 0.60 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2bvx n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bvx n GLY 133 N 1.95 3.11 3.73 0.00 0.00 -0.19 -4.97 105.19 108.81 2bvx n GLY 133 Ca 0.12 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 2bvx n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bvx s TYR 134 N -0.36 2.12 -0.04 1.61 2.02 -0.84 -4.52 117.35 117.33 2bvx s TYR 134 Ca 0.00 1.56 0.01 0.00 -0.37 0.00 0.00 57.07 58.27 2bvx s TYR 134 Cb 0.00 -3.52 -0.03 0.00 -0.40 0.00 0.00 41.96 38.01 2bvx s TYR 134 CO 0.00 -2.60 -0.04 0.15 -1.57 0.00 0.00 175.55 171.49 2bvx s LYS 135 N -3.70 2.77 0.41 -0.62 1.02 -1.26 -0.05 119.74 118.31 2bvx s LYS 135 Ca 0.77 -0.57 0.07 0.00 0.02 0.00 0.00 55.97 56.26 2bvx s LYS 135 Cb -0.31 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 2bvx s LYS 135 CO 0.42 0.65 0.16 0.20 -0.92 0.00 0.00 175.35 175.86 2bvx s GLY 136 N -1.12 2.34 -0.20 -3.33 0.00 0.50 -4.86 107.32 100.66 2bvx s GLY 136 Ca 0.15 -2.12 0.01 0.00 0.00 0.00 0.00 44.72 42.76 2bvx s GLY 136 CO 0.05 -1.93 -0.12 -1.60 0.00 0.00 0.00 173.10 169.50 2bvx s ARG 137 N -3.88 2.21 0.02 2.90 3.52 0.43 0.93 118.95 125.08 2bvx s ARG 137 Ca 0.40 -0.87 -0.06 0.00 -0.13 0.00 0.00 55.73 55.07 2bvx s ARG 137 Cb 0.04 -2.46 -0.05 0.00 -1.56 0.00 0.00 34.95 30.92 2bvx s ARG 137 CO 0.22 -0.40 0.27 0.08 -0.81 0.00 0.00 175.30 174.67 2bvx s VAL 138 N 1.36 5.30 -0.02 7.11 1.01 -0.46 -2.64 120.40 132.05 2bvx s VAL 138 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2bvx s VAL 138 Cb -0.16 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2bvx s VAL 138 CO -0.09 0.32 0.05 0.42 0.00 0.00 0.00 175.10 175.80 2bvx s THR 139 N -1.35 -0.03 0.09 3.92 -4.23 -1.26 -1.54 115.64 111.24 2bvx s THR 139 Ca 0.29 0.10 -0.27 0.00 -1.18 0.00 0.00 61.69 60.64 2bvx s THR 139 Cb -0.13 -0.10 0.09 0.00 1.34 0.00 0.00 72.50 73.70 2bvx s THR 139 CO 0.18 0.04 1.11 -0.83 -0.54 0.00 0.00 174.62 174.58 2bvx s GLY 140 N 0.56 -0.27 0.00 3.99 0.00 -0.68 -4.51 107.32 106.41 2bvx s GLY 140 Ca -0.04 0.30 0.16 0.00 0.00 0.00 0.00 44.72 45.13 2bvx s GLY 140 CO -0.02 0.46 0.96 0.79 0.00 0.00 0.00 173.10 175.29 2bvx n TRP 141 N -0.52 0.00 -0.54 1.90 8.01 -1.26 -0.25 117.44 124.79 2bvx n TRP 141 Ca -0.06 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.88 2bvx n TRP 141 Cb 0.61 0.00 0.17 0.00 -2.01 0.00 0.00 31.31 30.09 2bvx n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bvx n GLY 142 N 0.97 -2.66 3.24 6.99 0.00 -0.83 -4.43 105.19 108.47 2bvx n GLY 142 Ca 0.09 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 2bvx n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bvx n ASN 143 N -1.93 -3.02 -0.78 1.61 3.02 -0.03 -3.57 115.26 110.55 2bvx n ASN 143 Ca 0.05 0.11 0.08 0.00 -0.03 0.00 0.00 54.58 54.80 2bvx n ASN 143 Cb 0.47 -0.95 0.13 0.00 -0.61 0.00 0.00 39.78 38.82 2bvx n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bvx n LEU 144 N 0.11 2.76 -3.60 3.41 4.77 0.70 -1.39 117.00 123.75 2bvx n LEU 144 Ca 0.02 -1.38 -0.07 0.00 -0.03 0.00 0.00 56.01 54.56 2bvx n LEU 144 Cb 0.60 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2bvx n LEU 144 CO 0.50 0.58 0.94 -1.59 -1.33 0.00 0.00 177.39 176.50 2bvx s LYS 145 N -1.24 0.36 0.22 3.23 -2.85 -1.26 -4.54 119.74 113.66 2bvx s LYS 145 Ca 0.25 0.08 -0.09 0.00 -1.00 0.00 0.00 55.97 55.21 2bvx s LYS 145 Cb 0.15 0.17 0.33 0.00 -2.06 0.00 0.00 37.83 36.42 2bvx s LYS 145 CO 0.22 -0.11 1.71 1.49 0.10 0.00 0.00 175.35 178.75 2bvx h GLU 146 N 2.32 0.28 0.00 1.78 4.81 -1.94 -3.41 114.58 118.42 2bvx h GLU 146 Ca -0.14 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2bvx h GLU 146 Cb 1.17 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2bvx h GLU 146 CO 0.27 0.19 0.00 2.41 -0.73 0.00 0.00 179.01 181.15 2bvx n THR 147 N -5.11 0.00 0.00 0.32 -1.04 -1.26 -4.97 114.28 102.22 2bvx n THR 147 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2bvx n THR 147 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2bvx n THR 147 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 2bvx n TRP 148 N 0.00 0.00 0.00 -1.42 -0.00 -1.26 -4.96 117.44 109.80 2bvx n TRP 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2bvx n TRP 148 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2bvx n TRP 148 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2bvx n LYS 149 N 0.00 0.00 0.02 5.87 5.02 -1.26 -5.04 118.16 122.77 2bvx n LYS 149 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2bvx n LYS 149 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2bvx n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bvx n GLY 150 N 0.00 -0.14 3.38 0.72 0.00 -1.26 -4.94 105.19 102.95 2bvx n GLY 150 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2bvx n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bvx s GLN 151 N -2.00 1.38 1.00 1.61 1.11 -1.26 0.25 119.66 121.75 2bvx s GLN 151 Ca 0.00 -1.35 -0.14 0.00 0.01 0.00 0.00 55.36 53.88 2bvx s GLN 151 Cb 0.00 -1.84 0.19 0.00 -1.01 0.00 0.00 33.01 30.34 2bvx s GLN 151 CO 0.00 0.43 1.16 -1.25 0.01 0.00 0.00 175.29 175.64 2bvx s PRO 152 N -2.11 0.44 -0.11 2.91 0.04 -1.26 -4.89 135.00 130.02 2bvx s PRO 152 Ca 0.14 0.12 0.19 0.00 0.04 0.00 0.00 61.00 61.49 2bvx s PRO 152 Cb -0.10 -1.77 -0.28 0.00 0.04 0.00 0.00 34.50 32.39 2bvx s PRO 152 CO 0.06 -2.64 0.26 0.45 0.04 0.00 0.00 177.00 175.17 2bvx n SER 153 N -4.04 0.33 -3.85 6.66 2.88 -1.26 -4.88 113.62 109.46 2bvx n SER 153 Ca 0.09 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 2bvx n SER 153 Cb 0.59 1.45 -0.13 0.00 -0.75 0.00 0.00 64.21 65.37 2bvx n SER 153 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2bvx s VAL 154 N -2.94 0.01 -0.08 2.46 -7.23 -1.26 -2.42 120.40 108.95 2bvx s VAL 154 Ca -0.08 -0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 59.91 2bvx s VAL 154 Cb 0.09 -0.16 -0.03 0.00 0.56 0.00 0.00 36.38 36.84 2bvx s VAL 154 CO 0.81 -0.05 0.25 -0.11 -0.31 0.00 0.00 175.10 175.69 2bvx n LEU 155 N 2.84 0.18 -4.92 1.32 7.94 0.63 -4.63 117.00 120.37 2bvx n LEU 155 Ca -0.14 0.18 -0.26 0.00 -1.11 0.00 0.00 56.01 54.68 2bvx n LEU 155 Cb 0.59 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.41 2bvx n LEU 155 CO 0.23 -0.13 0.40 -1.10 -1.11 0.00 0.00 177.39 175.67 2bvx s GLN 156 N 0.48 3.38 -0.16 1.96 -1.52 0.66 -2.04 119.66 122.41 2bvx s GLN 156 Ca 0.16 0.01 -0.08 0.00 -1.95 0.00 0.00 55.36 53.49 2bvx s GLN 156 Cb -0.23 -2.43 0.06 0.00 -0.22 0.00 0.00 33.01 30.19 2bvx s GLN 156 CO 0.13 -0.23 0.39 0.08 -0.25 0.00 0.00 175.29 175.40 2bvx s VAL 157 N -2.69 -0.09 -0.02 1.09 1.01 -1.06 -1.68 120.40 116.96 2bvx s VAL 157 Ca 0.47 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2bvx s VAL 157 Cb -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2bvx s VAL 157 CO 0.43 0.05 0.02 0.54 0.00 0.00 0.00 175.10 176.13 2bvx s VAL 158 N 1.52 -0.04 0.11 2.92 0.11 -0.59 -2.17 120.40 122.26 2bvx s VAL 158 Ca -0.09 0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 58.93 2bvx s VAL 158 Cb -0.09 -0.07 -0.07 0.00 -1.53 0.00 0.00 36.38 34.62 2bvx s VAL 158 CO -0.12 0.07 0.61 0.20 -3.33 0.00 0.00 175.10 172.52 2bvx s ASN 159 N 0.81 7.08 0.07 3.54 0.01 -1.26 -1.35 114.94 123.84 2bvx s ASN 159 Ca -0.07 1.31 0.02 0.00 -0.71 0.00 0.00 52.86 53.41 2bvx s ASN 159 Cb -0.10 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 2bvx s ASN 159 CO -0.02 0.23 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.96 2bvx s LEU 160 N -1.28 2.38 -0.08 0.60 1.43 0.26 -4.93 118.68 117.06 2bvx s LEU 160 Ca 0.32 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 2bvx s LEU 160 Cb -0.19 -0.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 2bvx s LEU 160 CO 0.20 -0.33 0.38 -2.16 0.23 0.00 0.00 176.35 174.67 2bvx s PRO 161 N -2.65 4.09 0.18 1.29 0.04 -1.26 0.19 135.00 136.89 2bvx s PRO 161 Ca 0.00 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 2bvx s PRO 161 Cb -0.03 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 2bvx s PRO 161 CO -0.02 0.43 1.31 0.42 0.04 0.00 0.00 177.00 179.18 2bvx s ILE 162 N -0.22 3.26 0.06 0.56 1.01 0.93 -0.34 121.20 126.47 2bvx s ILE 162 Ca 0.22 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.90 2bvx s ILE 162 Cb -0.15 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2bvx s ILE 162 CO 0.10 0.14 0.14 -0.69 0.00 0.00 0.00 174.94 174.63 2bvx s VAL 163 N 0.26 4.99 0.99 2.92 1.01 -0.63 -1.03 120.40 128.91 2bvx s VAL 163 Ca 0.58 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2bvx s VAL 163 Cb -0.36 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.68 2bvx s VAL 163 CO 0.37 0.16 0.42 -0.62 0.00 0.00 0.00 175.10 175.43 2bvx n GLU 164 N 0.47 -0.61 0.06 2.72 4.71 -1.26 -4.57 120.64 122.16 2bvx n GLU 164 Ca -0.07 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.16 56.81 2bvx n GLU 164 Cb 0.51 -1.88 -0.08 0.00 -1.01 0.00 0.00 31.44 28.98 2bvx n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bvx h ARG 165 N -1.72 -0.13 -0.70 3.49 2.47 -1.98 -3.14 114.38 112.67 2bvx h ARG 165 Ca -0.46 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.38 2bvx h ARG 165 Cb 1.30 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 29.57 2bvx h ARG 165 CO 0.36 0.14 0.31 -1.35 0.56 0.00 0.00 179.97 179.99 2bvx h PRO 166 N -0.40 0.50 -0.61 0.04 0.11 -2.01 -1.92 132.00 127.70 2bvx h PRO 166 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2bvx h PRO 166 Cb 0.33 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 2bvx h PRO 166 CO 0.02 0.33 0.40 0.28 -0.21 0.00 0.00 178.00 178.82 2bvx h VAL 167 N 0.51 1.16 0.51 3.15 2.07 -1.92 -2.44 116.25 119.29 2bvx h VAL 167 Ca 0.36 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2bvx h VAL 167 Cb 0.45 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2bvx h VAL 167 CO -0.32 0.15 -0.24 0.00 0.02 0.00 0.00 177.57 177.18 2bvx h LYS 169 N -0.73 -0.38 0.00 0.00 1.57 -1.45 0.13 116.57 115.71 2bvx h LYS 169 Ca -0.07 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2bvx h LYS 169 Cb 0.52 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2bvx h LYS 169 CO 0.11 -0.25 0.26 -0.44 -0.57 0.00 0.00 179.45 178.56 2bvx h ASP 170 N -0.40 0.00 -1.00 0.86 5.19 -1.52 -1.83 116.42 117.73 2bvx h ASP 170 Ca 0.08 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.81 2bvx h ASP 170 Cb 0.60 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.81 2bvx h ASP 170 CO -0.60 0.00 0.81 -1.54 -3.12 0.00 0.00 179.24 174.79 2bvx n SER 171 N -2.40 7.60 -4.00 6.45 3.41 0.45 -4.96 113.62 120.17 2bvx n SER 171 Ca -0.01 -3.79 0.05 0.00 -0.26 0.00 0.00 58.87 54.85 2bvx n SER 171 Cb 0.30 -0.95 0.01 0.00 -0.26 0.00 0.00 64.21 63.30 2bvx n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2bvx s THR 172 N -4.82 0.00 -0.20 6.66 -1.32 -0.69 -4.75 115.64 110.52 2bvx s THR 172 Ca 0.64 -0.01 0.04 0.00 -1.21 0.00 0.00 61.69 61.15 2bvx s THR 172 Cb 0.51 -2.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.54 2bvx s THR 172 CO -0.01 0.00 0.18 -1.14 -2.21 0.00 0.00 174.62 171.44 2bvx n ARG 173 N -0.96 5.43 -2.75 7.08 0.63 -1.26 -4.99 116.66 119.84 2bvx n ARG 173 Ca 0.05 -0.04 -0.33 0.00 -0.92 0.00 0.00 57.85 56.61 2bvx n ARG 173 Cb 0.58 -0.70 -0.06 0.00 0.45 0.00 0.00 32.46 32.73 2bvx n ARG 173 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2bvx s ILE 174 N -1.30 4.31 -0.34 5.15 1.01 -1.26 -5.00 121.20 123.77 2bvx s ILE 174 Ca 0.02 1.42 -0.28 0.00 0.00 0.00 0.00 60.65 61.80 2bvx s ILE 174 Cb 0.03 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.93 2bvx s ILE 174 CO 0.15 -0.33 1.04 -0.60 0.00 0.00 0.00 174.94 175.20 2bvx s ARG 175 N -3.25 3.99 -0.34 2.79 3.52 -1.26 -4.98 118.95 119.42 2bvx s ARG 175 Ca 0.63 0.91 -0.23 0.00 -0.13 0.00 0.00 55.73 56.91 2bvx s ARG 175 Cb -0.10 -3.76 0.01 0.00 -1.56 0.00 0.00 34.95 29.53 2bvx s ARG 175 CO 0.15 -0.95 0.79 0.42 -0.81 0.00 0.00 175.30 174.90 2bvx s ILE 176 N 3.67 4.75 0.00 4.11 -1.09 -1.26 -4.92 121.20 126.47 2bvx s ILE 176 Ca 0.44 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 2bvx s ILE 176 Cb -0.12 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 2bvx s ILE 176 CO 0.17 -0.37 0.00 0.35 -1.23 0.00 0.00 174.94 173.87 2bvx n THR 177 N 5.70 0.00 -0.02 2.92 -2.24 -1.26 -5.01 114.28 114.36 2bvx n THR 177 Ca 0.03 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 2bvx n THR 177 Cb 0.48 -1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 67.53 2bvx n THR 177 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bvx n ASP 178 N 0.00 1.73 -0.69 3.42 9.92 -1.26 -4.40 116.55 125.27 2bvx n ASP 178 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2bvx n ASP 178 Cb 0.00 1.41 0.00 0.00 -0.64 0.00 0.00 41.12 41.89 2bvx n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2bvx n ASN 179 N -2.14 1.15 -3.65 -2.24 3.02 -1.26 -4.65 115.26 105.48 2bvx n ASN 179 Ca -0.08 -1.29 -0.14 0.00 -0.03 0.00 0.00 54.58 53.03 2bvx n ASN 179 Cb 0.54 -0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 2bvx n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bvx s MET 180 N -0.48 0.77 0.08 3.52 0.23 -1.26 0.23 119.30 122.40 2bvx s MET 180 Ca 0.00 0.68 0.03 0.00 -1.03 0.00 0.00 55.69 55.37 2bvx s MET 180 Cb 0.00 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 2bvx s MET 180 CO 0.00 -0.13 -0.09 -0.59 -2.03 0.00 0.00 175.02 172.18 2bvx s PHE 181 N -0.05 0.93 -0.06 3.16 -0.12 -1.08 -4.84 117.98 115.91 2bvx s PHE 181 Ca -0.03 -0.68 0.04 0.00 -0.05 0.00 0.00 56.93 56.21 2bvx s PHE 181 Cb -0.04 -0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 41.81 2bvx s PHE 181 CO 0.03 -0.06 -0.16 0.00 -0.05 0.00 0.00 175.22 174.98 2bvx s ALA 183 N -0.48 2.63 0.00 0.00 0.00 -0.93 -1.61 121.76 121.37 2bvx s ALA 183 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2bvx s ALA 183 Cb -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2bvx s ALA 183 CO 0.02 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2bvx n GLY 184 N 0.15 1.17 3.88 0.00 0.00 0.54 -2.75 105.19 108.18 2bvx n GLY 184 Ca -0.12 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 2bvx n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bvx s TYR 184 N -1.84 3.57 0.32 1.61 2.02 -1.26 -4.45 117.35 117.32 2bvx s TYR 184 Ca 0.00 0.47 -0.27 0.00 -0.37 0.00 0.00 57.07 56.90 2bvx s TYR 184 Cb 0.00 -1.90 -0.09 0.00 -0.40 0.00 0.00 41.96 39.56 2bvx s TYR 184 CO 0.00 0.70 1.00 0.15 -1.57 0.00 0.00 175.55 175.84 2bvx s LYS 185 N -1.30 4.52 0.64 -0.62 1.02 -1.26 -4.78 119.74 117.97 2bvx s LYS 185 Ca 0.19 1.50 0.11 0.00 0.02 0.00 0.00 55.97 57.79 2bvx s LYS 185 Cb -0.12 -2.88 0.42 0.00 -0.52 0.00 0.00 37.83 34.72 2bvx s LYS 185 CO 0.08 0.19 1.16 -1.35 -0.92 0.00 0.00 175.35 174.51 2bvx h PRO 186 N 3.27 0.00 0.00 -1.68 0.11 -1.95 0.29 132.00 132.04 2bvx h PRO 186 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2bvx h PRO 186 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2bvx h PRO 186 CO 0.65 0.00 -1.77 -0.40 -0.21 0.00 0.00 178.00 176.27 2bvx n ASP 186 N -2.81 1.43 0.00 -2.05 5.68 -1.26 -4.51 116.55 113.03 2bvx n ASP 186 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 2bvx n ASP 186 Cb 1.17 1.54 0.00 0.00 -1.14 0.00 0.00 41.12 42.69 2bvx n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2bvx n GLU 186 N -2.14 0.00 0.00 0.11 1.02 0.10 -4.75 120.64 114.99 2bvx n GLU 186 Ca -0.07 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2bvx n GLU 186 Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2bvx n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bvx n GLY 186 N -1.10 1.63 3.91 0.62 0.00 -1.26 -4.93 105.19 104.05 2bvx n GLY 186 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2bvx n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bvx s LYS 186 N 0.00 3.51 0.00 1.61 1.02 -1.26 -5.11 119.74 119.51 2bvx s LYS 186 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.70 2bvx s LYS 186 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 2bvx s LYS 186 CO 0.00 0.57 0.00 0.54 -0.92 0.00 0.00 175.35 175.54 2bvx n ARG 187 N 0.33 3.23 0.00 1.68 1.74 -1.26 -4.77 116.66 117.61 2bvx n ARG 187 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2bvx n ARG 187 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 2bvx n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bvx n GLY 188 N 5.00 3.30 0.00 -0.13 0.00 -1.25 -4.93 105.19 107.18 2bvx n GLY 188 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2bvx n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bvx n ASP 189 N 0.00 0.00 -2.85 1.61 2.03 -1.03 -4.62 116.55 111.69 2bvx n ASP 189 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2bvx n ASP 189 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2bvx n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bvx n ALA 190 N -0.62 0.00 0.00 -1.67 0.00 -1.26 -0.39 120.51 116.56 2bvx n ALA 190 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bvx n ALA 190 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bvx n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bvx n GLU 192 N -0.40 1.36 0.00 0.00 1.02 -1.26 -1.27 120.64 120.09 2bvx n GLU 192 Ca 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2bvx n GLU 192 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 2bvx n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bvx n GLY 193 N 5.24 1.30 0.08 0.62 0.00 -1.26 -0.85 105.19 110.31 2bvx n GLY 193 Ca 0.32 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.35 2bvx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bvx n ASP 194 N 0.00 1.27 -4.54 1.61 8.00 -0.40 -1.97 116.55 120.52 2bvx n ASP 194 Ca 0.00 -1.19 -0.45 0.00 0.71 0.00 0.00 54.79 53.87 2bvx n ASP 194 Cb 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 2bvx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bvx n SER 195 N 0.06 0.62 0.00 -2.24 7.64 -1.26 0.34 113.62 118.77 2bvx n SER 195 Ca 0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2bvx n SER 195 Cb 0.07 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 2bvx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bvx n GLY 196 N 1.41 2.18 3.56 0.23 0.00 -0.20 0.17 105.19 112.55 2bvx n GLY 196 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 2bvx n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bvx n GLY 197 N -1.90 -0.50 3.70 -0.02 0.00 0.15 -3.49 105.19 103.13 2bvx n GLY 197 Ca 0.00 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 2bvx n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bvx s PRO 198 N -1.40 4.48 -0.36 1.61 0.04 -1.26 -1.39 135.00 136.73 2bvx s PRO 198 Ca 0.60 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 2bvx s PRO 198 Cb -0.75 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 30.34 2bvx s PRO 198 CO 0.59 -0.19 0.15 0.12 0.04 0.00 0.00 177.00 177.71 2bvx s PHE 199 N 1.47 3.25 0.45 0.56 2.19 -1.03 -4.01 117.98 120.85 2bvx s PHE 199 Ca 0.52 -1.21 0.06 0.00 0.33 0.00 0.00 56.93 56.63 2bvx s PHE 199 Cb -0.21 -2.35 -0.04 0.00 -1.31 0.00 0.00 43.02 39.10 2bvx s PHE 199 CO 0.24 -0.69 0.11 0.14 1.83 0.00 0.00 175.22 176.85 2bvx s VAL 200 N 1.47 1.89 -0.16 3.12 -7.23 -1.08 -0.69 120.40 117.73 2bvx s VAL 200 Ca 0.00 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 2bvx s VAL 200 Cb -0.19 -2.73 0.06 0.00 0.56 0.00 0.00 36.38 34.08 2bvx s VAL 200 CO 0.05 0.00 0.38 -0.04 -0.31 0.00 0.00 175.10 175.17 2bvx s MET 201 N -3.88 0.36 -0.11 4.82 -1.94 0.13 -0.43 119.30 118.25 2bvx s MET 201 Ca 0.31 0.72 -0.29 0.00 -1.71 0.00 0.00 55.69 54.72 2bvx s MET 201 Cb 0.05 -0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.85 2bvx s MET 201 CO 0.17 -0.15 0.98 0.21 -0.01 0.00 0.00 175.02 176.22 2bvx s LYS 202 N 1.30 4.41 -0.08 2.03 2.20 -1.26 -0.86 119.74 127.47 2bvx s LYS 202 Ca -0.09 1.34 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 2bvx s LYS 202 Cb -0.08 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 2bvx s LYS 202 CO -0.11 -0.31 1.40 0.45 -0.36 0.00 0.00 175.35 176.42 2bvx s SER 203 N 1.10 6.85 0.00 1.43 0.15 0.10 -4.87 113.70 118.46 2bvx s SER 203 Ca 0.47 1.96 0.00 0.00 0.70 0.00 0.00 55.95 59.08 2bvx s SER 203 Cb -0.18 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2bvx s SER 203 CO 0.17 -0.78 0.83 -0.81 1.20 0.00 0.00 173.24 173.86 2bvx n PRO 204 N 6.31 0.89 -0.04 5.44 -0.04 -1.26 -1.14 135.00 145.16 2bvx n PRO 204 Ca 0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 2bvx n PRO 204 Cb 0.44 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 2bvx n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bvx n PHE 204 N -0.43 0.00 -2.10 0.54 3.72 -1.26 -4.78 117.46 113.15 2bvx n PHE 204 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2bvx n PHE 204 Cb 0.03 -0.52 -0.01 0.00 -0.94 0.00 0.00 39.48 38.04 2bvx n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2bvx n ASN 204 N -2.29 0.02 -0.63 4.37 2.04 -1.16 -5.00 115.26 112.61 2bvx n ASN 204 Ca -0.14 -1.71 -0.04 0.00 -0.44 0.00 0.00 54.58 52.25 2bvx n ASN 204 Cb 0.71 -0.07 -0.02 0.00 -2.53 0.00 0.00 39.78 37.87 2bvx n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2bvx n ASN 205 N 0.10 -2.47 -4.83 0.53 3.02 -0.29 -4.90 115.26 106.42 2bvx n ASN 205 Ca -0.04 0.11 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 2bvx n ASN 205 Cb 0.73 -2.08 -0.06 0.00 -0.61 0.00 0.00 39.78 37.76 2bvx n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2bvx s ARG 206 N -1.81 3.88 -0.05 3.52 0.52 -1.25 -4.80 118.95 118.95 2bvx s ARG 206 Ca 0.00 0.30 -0.26 0.00 -0.52 0.00 0.00 55.73 55.25 2bvx s ARG 206 Cb 0.00 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 2bvx s ARG 206 CO 0.00 0.65 0.80 -1.58 0.02 0.00 0.00 175.30 175.19 2bvx s TRP 207 N -0.89 3.59 -0.06 -0.53 0.52 -1.26 -0.72 118.94 119.59 2bvx s TRP 207 Ca 0.22 1.40 0.05 0.00 0.02 0.00 0.00 56.10 57.79 2bvx s TRP 207 Cb -0.16 -2.92 -0.01 0.00 -1.15 0.00 0.00 33.47 29.23 2bvx s TRP 207 CO 0.11 0.04 -0.22 0.71 0.02 0.00 0.00 176.95 177.61 2bvx s TYR 208 N 0.95 2.52 -0.21 -1.98 2.02 -0.04 -3.14 117.35 117.48 2bvx s TYR 208 Ca 0.42 -0.58 -0.18 0.00 -0.37 0.00 0.00 57.07 56.37 2bvx s TYR 208 Cb -0.19 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2bvx s TYR 208 CO 0.21 -0.12 0.50 -1.14 -1.57 0.00 0.00 175.55 173.43 2bvx s GLN 209 N -0.25 4.17 -0.25 -0.62 0.74 -1.02 0.20 119.66 122.63 2bvx s GLN 209 Ca -0.00 0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.74 2bvx s GLN 209 Cb -0.13 -3.57 -0.14 0.00 1.10 0.00 0.00 33.01 30.27 2bvx s GLN 209 CO 0.03 -0.17 -0.26 -1.33 -0.55 0.00 0.00 175.29 173.01 2bvx n MET 210 N 4.88 0.58 -4.63 1.67 2.81 0.14 -4.09 117.12 118.47 2bvx n MET 210 Ca -0.05 0.18 -0.29 0.00 -1.81 0.00 0.00 57.70 55.72 2bvx n MET 210 Cb 0.50 -1.45 -0.08 0.00 -0.71 0.00 0.00 33.22 31.48 2bvx n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2bvx s GLY 211 N -5.99 2.83 -0.10 3.03 0.00 -1.12 -1.20 107.32 104.76 2bvx s GLY 211 Ca -0.34 -0.80 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 2bvx s GLY 211 CO 0.51 -2.01 0.02 -0.42 0.00 0.00 0.00 173.10 171.20 2bvx s ILE 212 N -3.05 0.35 -0.46 0.90 1.01 -0.99 -2.45 121.20 116.51 2bvx s ILE 212 Ca 0.15 -0.03 -0.45 0.00 0.00 0.00 0.00 60.65 60.31 2bvx s ILE 212 Cb 0.02 -0.63 -0.19 0.00 0.01 0.00 0.00 42.46 41.67 2bvx s ILE 212 CO 0.09 0.11 1.74 0.52 0.00 0.00 0.00 174.94 177.40 2bvx n VAL 213 N 5.14 0.06 0.00 2.92 0.31 -0.49 -1.29 118.33 124.99 2bvx n VAL 213 Ca -0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2bvx n VAL 213 Cb 0.49 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2bvx n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2bvx n SER 214 N 5.04 0.00 -4.29 4.52 2.88 -0.62 -1.03 113.62 120.12 2bvx n SER 214 Ca 0.35 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.72 2bvx n SER 214 Cb -0.02 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.34 2bvx n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2bvx s TRP 215 N 0.00 1.50 0.24 0.66 1.48 -1.14 -4.83 118.94 116.85 2bvx s TRP 215 Ca 0.00 -0.62 -0.06 0.00 -1.06 0.00 0.00 56.10 54.36 2bvx s TRP 215 Cb 0.00 -0.74 -0.02 0.00 -1.16 0.00 0.00 33.47 31.55 2bvx s TRP 215 CO 0.00 0.22 0.32 0.20 -4.06 0.00 0.00 176.95 173.63 2bvx s GLY 216 N -3.03 1.09 -0.57 3.67 0.00 -1.26 -1.72 107.32 105.50 2bvx s GLY 216 Ca 0.17 -1.34 0.06 0.00 0.00 0.00 0.00 44.72 43.60 2bvx s GLY 216 CO 0.04 -1.03 0.54 1.18 0.00 0.00 0.00 173.10 173.83 2bvx n GLU 217 N -0.37 1.51 0.00 2.90 1.02 -1.26 -5.02 120.64 119.42 2bvx n GLU 217 Ca 0.01 -4.06 0.00 0.00 -0.02 0.00 0.00 57.16 53.08 2bvx n GLU 217 Cb 0.64 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2bvx n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bvx n GLY 219 N 1.72 -0.69 3.66 0.62 0.00 -1.26 -4.77 105.19 104.48 2bvx n GLY 219 Ca 0.25 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 2bvx n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bvx n ASP 221 N 6.16 -4.39 -4.73 0.00 2.03 -1.26 -4.46 116.55 109.89 2bvx n ASP 221 Ca 0.12 -0.76 -0.38 0.00 0.52 0.00 0.00 54.79 54.28 2bvx n ASP 221 Cb 0.46 -4.02 -0.06 0.00 -0.72 0.00 0.00 41.12 36.78 2bvx n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2bvx s ARG 221 N -6.49 4.34 0.48 -0.67 0.52 -1.25 -4.98 118.95 110.89 2bvx s ARG 221 Ca 0.55 0.61 -0.24 0.00 -0.52 0.00 0.00 55.73 56.13 2bvx s ARG 221 Cb -0.27 -3.41 -0.08 0.00 0.52 0.00 0.00 34.95 31.71 2bvx s ARG 221 CO 0.82 0.21 1.38 -0.25 0.02 0.00 0.00 175.30 177.48 2bvx n ASP 222 N 3.40 2.99 0.00 0.23 8.00 -1.26 -2.09 116.55 127.83 2bvx n ASP 222 Ca -0.06 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.51 2bvx n ASP 222 Cb 0.51 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 2bvx n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bvx n GLY 223 N 0.67 1.65 3.36 0.44 0.00 -1.26 -5.00 105.19 105.05 2bvx n GLY 223 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2bvx n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bvx s LYS 224 N -0.01 1.35 0.12 1.61 -0.14 -0.89 -4.75 119.74 117.03 2bvx s LYS 224 Ca 0.00 -1.52 -0.00 0.00 -1.36 0.00 0.00 55.97 53.09 2bvx s LYS 224 Cb 0.00 -1.32 -0.04 0.00 -1.68 0.00 0.00 37.83 34.79 2bvx s LYS 224 CO 0.00 0.25 0.01 0.71 -0.76 0.00 0.00 175.35 175.56 2bvx s TYR 225 N -2.43 0.86 0.37 3.18 2.02 -1.26 -4.70 117.35 115.39 2bvx s TYR 225 Ca 0.20 -1.12 -0.11 0.00 -0.37 0.00 0.00 57.07 55.68 2bvx s TYR 225 Cb -0.04 -0.51 -0.07 0.00 -0.40 0.00 0.00 41.96 40.95 2bvx s TYR 225 CO 0.08 -0.39 0.73 0.20 -1.57 0.00 0.00 175.55 174.61 2bvx s GLY 226 N -3.04 2.00 -0.08 0.71 0.00 -1.11 -4.50 107.32 101.30 2bvx s GLY 226 Ca 0.19 -0.21 0.05 0.00 0.00 0.00 0.00 44.72 44.75 2bvx s GLY 226 CO -0.01 -0.03 -0.23 -1.36 0.00 0.00 0.00 173.10 171.48 2bvx s PHE 227 N -2.26 2.54 0.24 1.90 0.40 -0.70 -2.19 117.98 117.90 2bvx s PHE 227 Ca 0.51 -0.78 0.11 0.00 -0.60 0.00 0.00 56.93 56.17 2bvx s PHE 227 Cb -0.10 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.71 2bvx s PHE 227 CO 0.29 -0.26 -0.20 0.71 0.70 0.00 0.00 175.22 176.46 2bvx s TYR 228 N 0.02 2.18 -0.06 0.36 1.51 -0.76 -1.59 117.35 119.00 2bvx s TYR 228 Ca -0.08 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.30 2bvx s TYR 228 Cb -0.15 -0.99 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 2bvx s TYR 228 CO 0.05 0.59 1.15 0.99 -1.11 0.00 0.00 175.55 177.23 2bvx s THR 229 N -2.33 4.37 -0.93 -0.71 2.01 -0.41 -2.62 115.64 115.02 2bvx s THR 229 Ca 0.26 1.69 -0.21 0.00 0.31 0.00 0.00 61.69 63.73 2bvx s THR 229 Cb -0.05 -4.08 -0.12 0.00 0.01 0.00 0.00 72.50 68.26 2bvx s THR 229 CO 0.12 0.00 1.96 1.57 -0.69 0.00 0.00 174.62 177.59 2bvx n HIS 230 N 5.11 2.29 -0.14 4.92 -0.00 0.14 -2.35 115.22 125.19 2bvx n HIS 230 Ca 0.10 -1.96 -0.04 0.00 0.46 0.00 0.00 57.72 56.29 2bvx n HIS 230 Cb 0.47 -1.96 -0.03 0.00 -0.12 0.00 0.00 29.99 28.34 2bvx n HIS 230 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2bvx n VAL 231 N 6.11 -0.22 -0.33 3.57 0.31 -0.34 -1.43 118.33 126.00 2bvx n VAL 231 Ca 0.49 0.97 0.07 0.00 -0.01 0.00 0.00 64.34 65.86 2bvx n VAL 231 Cb 0.41 -1.22 0.15 0.00 -0.91 0.00 0.00 33.84 32.27 2bvx n VAL 231 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2bvx n PHE 232 N -3.99 0.36 0.09 3.52 7.35 -1.26 -0.74 117.46 122.80 2bvx n PHE 232 Ca 0.01 1.12 -0.14 0.00 -0.76 0.00 0.00 57.45 57.68 2bvx n PHE 232 Cb 0.08 -1.05 -0.07 0.00 0.35 0.00 0.00 39.48 38.80 2bvx n PHE 232 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bvx h ARG 233 N 0.00 -0.58 -0.32 -4.13 3.08 -1.63 0.48 114.38 111.29 2bvx h ARG 233 Ca 0.45 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.54 2bvx h ARG 233 Cb 0.73 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2bvx h ARG 233 CO -0.93 -0.38 0.00 1.28 -1.07 0.00 0.00 179.97 178.86 2bvx n LEU 234 N -5.45 0.32 0.02 3.04 4.77 0.09 -3.62 117.00 116.17 2bvx n LEU 234 Ca -0.06 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.64 2bvx n LEU 234 Cb 0.37 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2bvx n LEU 234 CO 0.18 0.08 0.88 0.50 -1.33 0.00 0.00 177.39 177.70 2bvx h LYS 235 N 0.45 0.03 -1.00 3.23 1.63 -0.68 -2.21 116.57 118.02 2bvx h LYS 235 Ca 0.00 -0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.04 2bvx h LYS 235 Cb 0.16 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.70 2bvx h LYS 235 CO 0.00 0.02 0.65 0.87 -3.45 0.00 0.00 179.45 177.54 2bvx h LYS 236 N 0.03 0.42 0.05 1.90 1.57 -1.79 0.90 116.57 119.65 2bvx h LYS 236 Ca 0.02 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 2bvx h LYS 236 Cb 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2bvx h LYS 236 CO -0.02 0.28 -1.05 2.35 -0.57 0.00 0.00 179.45 180.43 2bvx h TRP 237 N 0.43 0.56 0.00 -1.35 7.01 -1.75 -3.11 115.95 117.74 2bvx h TRP 237 Ca 0.56 -0.34 0.00 0.00 2.11 0.00 0.00 58.89 61.21 2bvx h TRP 237 Cb 1.36 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.37 2bvx h TRP 237 CO -0.00 1.19 0.00 -0.89 -2.79 0.00 0.00 178.44 175.95 2bvx n ILE 238 N -3.67 0.00 -0.40 2.65 5.41 0.22 -1.37 119.36 122.20 2bvx n ILE 238 Ca -0.07 1.25 0.34 0.00 1.00 0.00 0.00 62.75 65.26 2bvx n ILE 238 Cb 0.90 -2.22 0.66 0.00 -0.71 0.00 0.00 39.64 38.27 2bvx n ILE 238 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2bvx h GLN 239 N 0.00 0.14 0.25 0.38 5.75 -1.48 0.11 115.11 120.26 2bvx h GLN 239 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2bvx h GLN 239 Cb 0.00 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.52 2bvx h GLN 239 CO 0.00 0.09 -0.12 -0.22 -2.65 0.00 0.00 178.83 175.93 2bvx h LYS 240 N 0.15 -0.33 -0.47 1.69 3.64 -1.51 0.68 116.57 120.42 2bvx h LYS 240 Ca 0.68 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 60.20 2bvx h LYS 240 Cb 2.27 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 34.14 2bvx h LYS 240 CO -0.21 0.02 0.33 0.28 -2.27 0.00 0.00 179.45 177.60 2bvx h VAL 241 N -0.74 0.82 0.04 2.00 2.07 0.43 -2.82 116.25 118.05 2bvx h VAL 241 Ca -0.03 -0.04 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 2bvx h VAL 241 Cb 0.50 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2bvx h VAL 241 CO 0.06 0.02 -1.15 0.40 0.02 0.00 0.00 177.57 176.92 2bvx h ILE 242 N 0.12 1.08 0.00 4.57 2.04 -1.12 -3.18 117.51 121.02 2bvx h ILE 242 Ca 0.22 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.80 2bvx h ILE 242 Cb 0.73 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 2bvx h ILE 242 CO -0.03 0.52 0.00 0.47 0.00 0.00 0.00 178.15 179.11 2bvx n ASP 243 N -4.25 3.10 0.00 1.72 8.00 0.24 -3.63 116.55 121.73 2bvx n ASP 243 Ca -0.26 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.45 2bvx n ASP 243 Cb 0.74 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2bvx n ASP 243 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2bvx n GLN 244 N 0.99 0.00 -0.87 -1.24 7.27 -1.13 -4.92 117.38 117.48 2bvx n GLN 244 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.91 2bvx n GLN 244 Cb 0.40 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.95 2bvx n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2bvx n PHE 245 N -0.91 0.60 0.00 3.69 3.72 -1.20 -5.13 117.46 118.23 2bvx n PHE 245 Ca 0.00 -1.62 0.00 0.00 -0.05 0.00 0.00 57.45 55.78 2bvx n PHE 245 Cb 0.00 -1.59 0.00 0.00 -0.94 0.00 0.00 39.48 36.95 2bvx n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12