#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bv9 s VAL 17 N 0.00 5.44 -1.63 1.39 1.01 0.59 -4.32 120.40 122.88 3bv9 s VAL 17 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 3bv9 s VAL 17 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3bv9 s VAL 17 CO 0.00 0.54 0.42 -0.62 0.00 0.00 0.00 175.10 175.44 3bv9 n GLU 18 N 2.58 -3.88 -0.89 2.72 -0.58 -1.26 -2.31 120.64 117.01 3bv9 n GLU 18 Ca -0.18 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 3bv9 n GLU 18 Cb 0.54 -5.73 0.00 0.00 -0.57 0.00 0.00 31.44 25.67 3bv9 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bv9 n GLY 19 N -1.37 2.49 3.20 0.62 0.00 -1.26 -4.76 105.19 104.11 3bv9 n GLY 19 Ca -0.16 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 3bv9 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bv9 s SER 20 N -0.91 0.81 0.39 1.61 1.04 -0.37 -4.88 113.70 111.37 3bv9 s SER 20 Ca 0.00 -1.19 -0.27 0.00 0.48 0.00 0.00 55.95 54.97 3bv9 s SER 20 Cb 0.00 0.20 -0.11 0.00 0.10 0.00 0.00 66.02 66.21 3bv9 s SER 20 CO 0.00 -0.64 1.37 0.47 0.98 0.00 0.00 173.24 175.42 3bv9 n ASP 21 N -0.17 3.13 -4.79 7.02 8.00 -1.26 -0.97 116.55 127.51 3bv9 n ASP 21 Ca -0.06 1.18 -0.35 0.00 0.71 0.00 0.00 54.79 56.27 3bv9 n ASP 21 Cb 0.63 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.16 3bv9 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bv9 s ALA 22 N -1.14 2.92 0.67 2.24 0.00 -0.20 -4.80 121.76 121.46 3bv9 s ALA 22 Ca 0.57 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 3bv9 s ALA 22 Cb -0.51 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 3bv9 s ALA 22 CO 0.61 -0.37 1.05 -1.21 0.00 0.00 0.00 175.76 175.84 3bv9 s GLU 23 N -2.98 3.17 0.20 0.00 2.02 -1.26 -4.94 118.70 114.90 3bv9 s GLU 23 Ca 0.65 0.80 -0.31 0.00 0.02 0.00 0.00 54.97 56.13 3bv9 s GLU 23 Cb -0.20 -2.03 -0.11 0.00 0.10 0.00 0.00 34.13 31.89 3bv9 s GLU 23 CO 0.24 -0.89 1.62 0.42 0.02 0.00 0.00 175.26 176.67 3bv9 s ILE 24 N -3.14 2.35 -0.61 -1.63 -1.09 -1.26 -2.22 121.20 113.61 3bv9 s ILE 24 Ca 0.57 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 3bv9 s ILE 24 Cb -0.12 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 3bv9 s ILE 24 CO 0.54 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 3bv9 n GLY 25 N 3.62 0.75 0.20 6.18 0.00 -1.26 -4.91 105.19 109.77 3bv9 n GLY 25 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 3bv9 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3bv9 h MET 26 N 0.22 0.40 -2.07 1.61 -1.53 -1.81 -3.34 114.93 108.41 3bv9 h MET 26 Ca -0.12 -0.23 -0.56 0.00 -3.44 0.00 0.00 59.70 55.35 3bv9 h MET 26 Cb 0.66 0.02 -0.40 0.00 -0.55 0.00 0.00 31.60 31.32 3bv9 h MET 26 CO 0.17 0.80 -0.95 0.45 0.14 0.00 0.00 176.91 177.52 3bv9 n SER 27 N -3.97 1.45 0.00 1.39 2.88 -1.26 -4.96 113.62 109.14 3bv9 n SER 27 Ca -0.02 -2.98 0.03 0.00 -1.33 0.00 0.00 58.87 54.57 3bv9 n SER 27 Cb 0.55 -0.64 0.16 0.00 -0.75 0.00 0.00 64.21 63.53 3bv9 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3bv9 n PRO 28 N 1.06 0.06 -0.03 -1.46 -0.04 -1.26 -1.16 135.00 132.17 3bv9 n PRO 28 Ca 0.24 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 3bv9 n PRO 28 Cb 0.50 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.85 3bv9 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3bv9 n TRP 29 N -1.37 0.09 -1.98 0.54 2.14 -1.05 -1.77 117.44 114.04 3bv9 n TRP 29 Ca 0.03 -0.04 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 3bv9 n TRP 29 Cb 0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 3bv9 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3bv9 s GLN 30 N -1.91 4.24 0.01 -2.67 2.00 -0.31 -0.22 119.66 120.79 3bv9 s GLN 30 Ca 0.35 2.32 0.05 0.00 -2.00 0.00 0.00 55.36 56.07 3bv9 s GLN 30 Cb 0.20 -3.15 -0.02 0.00 0.80 0.00 0.00 33.01 30.84 3bv9 s GLN 30 CO 0.31 -0.54 -0.15 0.08 -0.50 0.00 0.00 175.29 174.49 3bv9 s VAL 31 N 0.84 1.15 -0.16 1.34 1.01 -0.53 -3.90 120.40 120.16 3bv9 s VAL 31 Ca 0.67 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 3bv9 s VAL 31 Cb -0.43 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3bv9 s VAL 31 CO 0.34 0.18 0.01 -0.04 0.00 0.00 0.00 175.10 175.59 3bv9 s MET 32 N -0.72 3.71 -0.25 2.72 -1.94 -0.17 -1.46 119.30 121.19 3bv9 s MET 32 Ca 0.04 -0.43 -0.09 0.00 -1.71 0.00 0.00 55.69 53.50 3bv9 s MET 32 Cb -0.07 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 3bv9 s MET 32 CO 0.00 0.32 0.11 -1.17 -0.01 0.00 0.00 175.02 174.27 3bv9 s LEU 33 N 0.20 3.73 0.12 -0.03 2.96 -0.62 -1.39 118.68 123.64 3bv9 s LEU 33 Ca 0.01 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3bv9 s LEU 33 Cb -0.13 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3bv9 s LEU 33 CO 0.02 -0.00 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.48 3bv9 s PHE 34 N 1.45 2.47 0.14 5.38 0.08 -0.32 -0.12 117.98 127.07 3bv9 s PHE 34 Ca 0.06 -0.30 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 3bv9 s PHE 34 Cb -0.15 -1.32 -0.07 0.00 -0.57 0.00 0.00 43.02 40.90 3bv9 s PHE 34 CO 0.06 0.37 0.68 0.50 -0.10 0.00 0.00 175.22 176.72 3bv9 s ARG 35 N -2.08 4.35 0.01 0.44 3.52 0.20 -1.55 118.95 123.83 3bv9 s ARG 35 Ca 0.17 0.92 -0.25 0.00 -0.13 0.00 0.00 55.73 56.44 3bv9 s ARG 35 Cb -0.10 -3.18 -0.18 0.00 -1.56 0.00 0.00 34.95 29.93 3bv9 s ARG 35 CO 0.09 0.57 1.31 0.87 -0.81 0.00 0.00 175.30 177.33 3bv9 h LYS 36 N 4.23 -0.22 -2.75 5.12 1.57 -1.21 -2.48 116.57 120.82 3bv9 h LYS 36 Ca -0.48 0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 3bv9 h LYS 36 Cb 1.21 0.05 -0.30 0.00 0.08 0.00 0.00 32.23 33.27 3bv9 h LYS 36 CO 0.65 0.11 -0.45 0.45 -0.57 0.00 0.00 179.45 179.63 3bv9 s SER 36 N -5.28 -0.00 0.37 0.86 0.15 -1.26 -2.15 113.70 106.38 3bv9 s SER 36 Ca -0.15 0.74 -0.26 0.00 0.70 0.00 0.00 55.95 56.99 3bv9 s SER 36 Cb 0.03 0.88 -0.09 0.00 -1.71 0.00 0.00 66.02 65.12 3bv9 s SER 36 CO 0.60 -0.22 1.13 -2.16 1.20 0.00 0.00 173.24 173.79 3bv9 s PRO 37 N 2.23 4.25 0.05 5.44 0.04 -1.26 -5.05 135.00 140.70 3bv9 s PRO 37 Ca -0.02 1.77 -0.35 0.00 0.04 0.00 0.00 61.00 62.44 3bv9 s PRO 37 Cb -0.11 -2.80 -0.15 0.00 0.04 0.00 0.00 34.50 31.48 3bv9 s PRO 37 CO -0.10 -0.13 1.57 0.94 0.04 0.00 0.00 177.00 179.32 3bv9 n GLN 38 N 0.36 1.74 -3.64 4.56 -0.06 -0.91 -4.74 117.38 114.69 3bv9 n GLN 38 Ca 0.03 0.63 -0.10 0.00 -2.00 0.00 0.00 57.00 55.56 3bv9 n GLN 38 Cb 0.46 -2.36 -0.07 0.00 -4.06 0.00 0.00 30.24 24.21 3bv9 n GLN 38 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 3bv9 s GLU 39 N 1.59 0.74 -0.16 3.69 2.12 -0.93 -4.96 118.70 120.79 3bv9 s GLU 39 Ca 0.85 1.08 -0.29 0.00 0.36 0.00 0.00 54.97 56.97 3bv9 s GLU 39 Cb -0.81 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 33.82 3bv9 s GLU 39 CO 0.46 -0.12 1.28 -1.17 -0.54 0.00 0.00 175.26 175.17 3bv9 s LEU 40 N 1.04 4.19 -0.26 2.70 2.96 -1.26 -0.63 118.68 127.42 3bv9 s LEU 40 Ca -0.05 1.72 -0.01 0.00 -0.22 0.00 0.00 54.13 55.57 3bv9 s LEU 40 Cb -0.05 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.94 3bv9 s LEU 40 CO -0.10 -0.77 -0.25 0.18 -1.32 0.00 0.00 176.35 174.09 3bv9 n LEU 41 N 6.60 2.78 -3.83 -0.68 4.77 0.83 -4.95 117.00 122.53 3bv9 n LEU 41 Ca 0.14 -0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 3bv9 n LEU 41 Cb 0.45 -0.88 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 3bv9 n LEU 41 CO 0.56 0.87 0.60 0.00 -1.33 0.00 0.00 177.39 178.08 3bv9 s GLY 43 N -3.09 1.85 0.13 0.00 0.00 0.40 -1.59 107.32 105.02 3bv9 s GLY 43 Ca 0.15 -1.80 -0.24 0.00 0.00 0.00 0.00 44.72 42.83 3bv9 s GLY 43 CO 0.08 -1.49 1.08 0.00 0.00 0.00 0.00 173.10 172.77 3bv9 s ALA 44 N -2.55 -1.78 0.02 3.20 0.00 -0.53 -3.57 121.76 116.55 3bv9 s ALA 44 Ca 0.58 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 3bv9 s ALA 44 Cb -0.08 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 3bv9 s ALA 44 CO 0.36 -1.07 0.03 -1.54 0.00 0.00 0.00 175.76 173.54 3bv9 s SER 45 N -3.29 0.18 -0.22 0.00 1.04 0.06 -1.45 113.70 110.02 3bv9 s SER 45 Ca 0.19 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.01 3bv9 s SER 45 Cb -0.01 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3bv9 s SER 45 CO 0.03 -0.35 0.51 -0.22 0.98 0.00 0.00 173.24 174.19 3bv9 s LEU 46 N -1.54 4.11 0.00 2.42 2.96 0.69 -0.19 118.68 127.12 3bv9 s LEU 46 Ca -0.14 0.61 0.09 0.00 -0.22 0.00 0.00 54.13 54.47 3bv9 s LEU 46 Cb -0.08 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.94 3bv9 s LEU 46 CO -0.01 -0.22 0.63 2.30 -1.32 0.00 0.00 176.35 177.73 3bv9 n ILE 47 N 4.78 0.00 -3.82 6.68 -5.35 -0.71 -1.58 119.36 119.36 3bv9 n ILE 47 Ca -0.05 -0.43 -0.02 0.00 -0.27 0.00 0.00 62.75 61.99 3bv9 n ILE 47 Cb 0.50 1.12 0.02 0.00 -1.74 0.00 0.00 39.64 39.54 3bv9 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3bv9 n SER 48 N -0.09 -1.30 0.00 7.28 3.41 -1.20 -4.70 113.62 117.01 3bv9 n SER 48 Ca 0.04 -1.64 0.11 0.00 -0.26 0.00 0.00 58.87 57.13 3bv9 n SER 48 Cb 0.19 2.10 0.58 0.00 -0.26 0.00 0.00 64.21 66.82 3bv9 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bv9 n ASP 49 N -1.10 0.00 0.00 4.04 5.68 -1.26 -3.68 116.55 120.23 3bv9 n ASP 49 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 3bv9 n ASP 49 Cb 0.46 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3bv9 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3bv9 n ARG 50 N -1.30 -0.18 -5.12 0.11 5.12 -1.26 -1.35 116.66 112.68 3bv9 n ARG 50 Ca 0.11 -0.20 -0.30 0.00 -1.93 0.00 0.00 57.85 55.53 3bv9 n ARG 50 Cb 0.19 -0.64 -0.16 0.00 -1.16 0.00 0.00 32.46 30.69 3bv9 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3bv9 s TRP 51 N -0.03 2.25 -0.06 -1.55 0.52 -1.24 -0.72 118.94 118.11 3bv9 s TRP 51 Ca 0.00 -0.74 0.05 0.00 0.02 0.00 0.00 56.10 55.43 3bv9 s TRP 51 Cb 0.00 -1.50 -0.00 0.00 -1.15 0.00 0.00 33.47 30.82 3bv9 s TRP 51 CO 0.00 -0.26 -0.21 0.08 0.02 0.00 0.00 176.95 176.58 3bv9 s VAL 52 N 0.05 1.75 -0.13 4.03 1.01 -0.03 -1.73 120.40 125.34 3bv9 s VAL 52 Ca -0.08 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3bv9 s VAL 52 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3bv9 s VAL 52 CO 0.05 0.49 0.10 -0.22 0.00 0.00 0.00 175.10 175.52 3bv9 s LEU 53 N 0.05 4.16 0.00 3.92 2.96 0.73 -0.56 118.68 129.94 3bv9 s LEU 53 Ca -0.07 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.14 3bv9 s LEU 53 Cb -0.14 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.55 3bv9 s LEU 53 CO 0.04 0.35 0.31 1.07 -1.32 0.00 0.00 176.35 176.80 3bv9 n THR 54 N 2.36 0.00 -3.31 3.68 5.66 -0.63 -0.76 114.28 121.28 3bv9 n THR 54 Ca -0.19 -0.73 -0.38 0.00 -3.05 0.00 0.00 64.05 59.70 3bv9 n THR 54 Cb 0.54 0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 69.79 3bv9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bv9 s ALA 55 N -1.91 3.58 0.29 1.79 0.00 -1.26 -1.37 121.76 122.88 3bv9 s ALA 55 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3bv9 s ALA 55 Cb -0.01 -2.61 0.54 0.00 0.00 0.00 0.00 23.12 21.04 3bv9 s ALA 55 CO 0.09 0.34 1.85 0.00 0.00 0.00 0.00 175.76 178.04 3bv9 h ALA 56 N 4.95 1.52 0.00 0.00 0.00 -1.69 -1.26 119.26 122.76 3bv9 h ALA 56 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3bv9 h ALA 56 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3bv9 h ALA 56 CO 0.65 0.26 0.00 -2.39 0.00 0.00 0.00 179.25 177.77 3bv9 n HIS 57 N -4.58 0.76 0.20 0.00 1.44 -1.26 -1.06 115.22 110.71 3bv9 n HIS 57 Ca 0.18 0.35 0.07 0.00 -2.01 0.00 0.00 57.72 56.30 3bv9 n HIS 57 Cb 0.32 -1.06 0.34 0.00 0.12 0.00 0.00 29.99 29.71 3bv9 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3bv9 n LEU 59 N -3.43 2.33 -3.74 0.00 4.77 -0.27 -4.71 117.00 111.95 3bv9 n LEU 59 Ca 0.00 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 3bv9 n LEU 59 Cb 0.51 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.98 3bv9 n LEU 59 CO 0.36 0.74 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.60 3bv9 s LEU 60 N -5.94 2.11 -0.11 2.23 2.96 -0.22 -0.25 118.68 119.46 3bv9 s LEU 60 Ca -0.23 -1.51 -0.32 0.00 -0.22 0.00 0.00 54.13 51.85 3bv9 s LEU 60 Cb 0.06 -0.84 0.12 0.00 0.50 0.00 0.00 46.19 46.03 3bv9 s LEU 60 CO 0.50 -0.39 1.13 -0.47 -1.32 0.00 0.00 176.35 175.80 3bv9 s TYR 60 N 1.64 -0.17 0.00 5.38 5.04 0.28 -4.35 117.35 125.17 3bv9 s TYR 60 Ca 0.08 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3bv9 s TYR 60 Cb -0.17 0.53 0.00 0.00 0.35 0.00 0.00 41.96 42.67 3bv9 s TYR 60 CO -0.22 -0.33 0.00 -2.30 -1.34 0.00 0.00 175.55 171.36 3bv9 n PRO 60 N -0.20 0.00 -0.51 4.97 -0.02 -1.26 -1.01 135.00 136.97 3bv9 n PRO 60 Ca -0.03 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 3bv9 n PRO 60 Cb 0.60 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.27 3bv9 n PRO 60 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3bv9 n TRP 60 N 0.00 0.00 -3.17 6.00 -0.00 -1.26 -4.96 117.44 114.05 3bv9 n TRP 60 Ca 0.00 -1.39 -0.22 0.00 -0.00 0.00 0.00 57.50 55.89 3bv9 n TRP 60 Cb 0.00 -0.23 0.01 0.00 -0.00 0.00 0.00 31.31 31.09 3bv9 n TRP 60 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 3bv9 n ASP 60 N -1.16 -4.60 -4.33 5.87 8.00 -1.20 -4.96 116.55 114.17 3bv9 n ASP 60 Ca 0.18 -0.31 -0.34 0.00 0.71 0.00 0.00 54.79 55.04 3bv9 n ASP 60 Cb 0.69 -3.77 -0.14 0.00 -0.02 0.00 0.00 41.12 37.87 3bv9 n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3bv9 s LYS 60 N -5.83 3.36 0.00 -1.24 -0.14 -0.18 -5.01 119.74 110.70 3bv9 s LYS 60 Ca 0.34 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 3bv9 s LYS 60 Cb -0.17 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.23 3bv9 s LYS 60 CO 0.41 0.05 0.00 -1.71 -0.76 0.00 0.00 175.35 173.35 3bv9 n ASN 60 N 4.01 0.00 -3.97 2.83 5.15 -0.81 0.98 115.26 123.45 3bv9 n ASN 60 Ca -0.18 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.71 3bv9 n ASN 60 Cb 0.52 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.67 3bv9 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3bv9 s PHE 60 N 0.00 0.25 0.55 1.20 0.08 0.65 -4.99 117.98 115.72 3bv9 s PHE 60 Ca 0.00 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.55 3bv9 s PHE 60 Cb 0.00 -0.19 0.03 0.00 -0.57 0.00 0.00 43.02 42.30 3bv9 s PHE 60 CO 0.00 -0.27 0.29 0.95 -0.10 0.00 0.00 175.22 176.09 3bv9 s THR 60 N -2.05 1.38 0.58 0.64 -4.23 -1.26 -4.82 115.64 105.88 3bv9 s THR 60 Ca -0.10 -1.64 0.27 0.00 -1.18 0.00 0.00 61.69 59.04 3bv9 s THR 60 Cb -0.05 -2.03 0.35 0.00 1.34 0.00 0.00 72.50 72.11 3bv9 s THR 60 CO -0.03 0.00 2.18 1.05 -0.54 0.00 0.00 174.62 177.28 3bv9 h GLU 61 N 0.87 0.00 0.00 3.99 9.09 -1.91 -2.09 114.58 124.53 3bv9 h GLU 61 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.03 3bv9 h GLU 61 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 3bv9 h GLU 61 CO 0.61 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.76 3bv9 n ASN 62 N -3.96 0.48 -0.13 3.06 4.13 -1.26 -3.20 115.26 114.38 3bv9 n ASN 62 Ca -0.01 0.55 0.12 0.00 1.68 0.00 0.00 54.58 56.93 3bv9 n ASN 62 Cb 0.19 -0.68 0.25 0.00 -1.54 0.00 0.00 39.78 38.00 3bv9 n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3bv9 n ASP 63 N -1.96 0.86 -4.42 6.41 8.00 -0.78 -4.91 116.55 119.75 3bv9 n ASP 63 Ca 0.06 -0.66 -0.21 0.00 0.71 0.00 0.00 54.79 54.69 3bv9 n ASP 63 Cb 0.37 0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.65 3bv9 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bv9 s LEU 64 N -2.77 2.27 0.21 0.64 1.43 -1.20 -0.68 118.68 118.59 3bv9 s LEU 64 Ca 0.17 -1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 51.80 3bv9 s LEU 64 Cb 0.18 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.99 3bv9 s LEU 64 CO 0.64 -0.52 0.52 -1.48 0.23 0.00 0.00 176.35 175.74 3bv9 s LEU 65 N -3.44 0.14 0.10 1.79 2.34 -0.60 -4.37 118.68 114.64 3bv9 s LEU 65 Ca 0.33 -0.59 0.05 0.00 0.06 0.00 0.00 54.13 53.98 3bv9 s LEU 65 Cb 0.07 2.08 -0.04 0.00 -0.56 0.00 0.00 46.19 47.75 3bv9 s LEU 65 CO 0.13 -1.09 -0.12 0.68 -1.06 0.00 0.00 176.35 174.90 3bv9 s VAL 66 N -3.91 1.10 -0.08 1.48 -7.23 -0.63 -1.17 120.40 109.96 3bv9 s VAL 66 Ca 0.12 -1.64 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 3bv9 s VAL 66 Cb -0.01 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.53 3bv9 s VAL 66 CO 0.00 -0.48 -0.21 -0.13 -0.31 0.00 0.00 175.10 173.97 3bv9 s ARG 67 N -2.66 2.51 0.03 4.82 0.52 -0.49 -1.59 118.95 122.09 3bv9 s ARG 67 Ca 0.06 -0.76 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 3bv9 s ARG 67 Cb -0.04 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 3bv9 s ARG 67 CO 0.01 0.21 -0.24 0.42 0.02 0.00 0.00 175.30 175.72 3bv9 s ILE 68 N 0.24 1.92 0.00 1.52 1.01 0.19 -1.00 121.20 125.08 3bv9 s ILE 68 Ca -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.27 3bv9 s ILE 68 Cb -0.16 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.67 3bv9 s ILE 68 CO 0.06 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3bv9 n GLY 69 N 1.94 0.62 3.87 6.18 0.00 -1.25 -0.52 105.19 116.02 3bv9 n GLY 69 Ca -0.17 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 3bv9 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bv9 s LYS 70 N -0.62 3.81 0.00 1.61 1.02 -1.26 -4.37 119.74 119.93 3bv9 s LYS 70 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.50 3bv9 s LYS 70 Cb 0.00 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3bv9 s LYS 70 CO 0.00 -0.02 0.00 1.58 -0.92 0.00 0.00 175.35 175.99 3bv9 n HIS 71 N -1.19 0.00 -4.01 3.18 -0.00 -1.26 -4.94 115.22 107.00 3bv9 n HIS 71 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.40 3bv9 n HIS 71 Cb 0.54 0.07 -0.13 0.00 -0.00 0.00 0.00 29.99 30.48 3bv9 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3bv9 s SER 72 N -4.69 4.86 0.20 0.26 0.15 -1.26 -1.14 113.70 112.08 3bv9 s SER 72 Ca 0.00 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.33 3bv9 s SER 72 Cb 0.00 -1.84 0.23 0.00 -1.71 0.00 0.00 66.02 62.71 3bv9 s SER 72 CO 0.00 0.05 1.72 0.03 1.20 0.00 0.00 173.24 176.24 3bv9 h ARG 73 N 7.63 0.28 -0.24 5.44 2.47 0.16 -3.22 114.38 126.90 3bv9 h ARG 73 Ca -0.37 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 3bv9 h ARG 73 Cb 1.18 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 3bv9 h ARG 73 CO 0.61 0.19 0.00 0.25 0.56 0.00 0.00 179.97 181.57 3bv9 n THR 74 N -5.08 0.30 -5.12 2.04 -2.24 -1.26 -4.91 114.28 98.01 3bv9 n THR 74 Ca 0.07 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.07 3bv9 n THR 74 Cb 0.27 0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 68.99 3bv9 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3bv9 s ARG 75 N -1.70 1.84 -0.11 -0.78 0.52 -1.22 -5.10 118.95 112.40 3bv9 s ARG 75 Ca 0.34 -0.83 -0.28 0.00 -0.52 0.00 0.00 55.73 54.45 3bv9 s ARG 75 Cb 0.19 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.85 3bv9 s ARG 75 CO 0.28 0.49 0.91 -0.47 0.02 0.00 0.00 175.30 176.54 3bv9 s TYR 76 N -0.55 3.50 -0.98 -0.53 5.04 -1.26 -4.81 117.35 117.76 3bv9 s TYR 76 Ca 0.09 1.46 -0.11 0.00 -2.44 0.00 0.00 57.07 56.07 3bv9 s TYR 76 Cb -0.09 -3.08 0.25 0.00 0.35 0.00 0.00 41.96 39.39 3bv9 s TYR 76 CO -0.01 -0.18 0.95 -1.21 -1.34 0.00 0.00 175.55 173.76 3bv9 s GLU 77 N 1.83 3.89 0.18 4.97 2.02 -1.26 -5.02 118.70 125.31 3bv9 s GLU 77 Ca 0.44 -2.91 -0.33 0.00 0.02 0.00 0.00 54.97 52.19 3bv9 s GLU 77 Cb -0.18 -4.46 -0.14 0.00 0.10 0.00 0.00 34.13 29.45 3bv9 s GLU 77 CO 0.17 -1.26 1.43 0.00 0.02 0.00 0.00 175.26 175.62 3bv9 n ALA 77 N 3.20 0.66 -1.04 5.21 0.00 -1.26 -1.74 120.51 125.54 3bv9 n ALA 77 Ca 0.19 0.45 -0.01 0.00 0.00 0.00 0.00 53.44 54.07 3bv9 n ALA 77 Cb 0.42 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 3bv9 n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bv9 n ASN 78 N 2.67 -4.40 0.08 0.00 3.02 -1.26 -4.76 115.26 110.62 3bv9 n ASN 78 Ca 0.15 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3bv9 n ASN 78 Cb 0.28 -2.01 0.00 0.00 -0.61 0.00 0.00 39.78 37.44 3bv9 n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3bv9 n ILE 79 N -2.55 0.81 -2.28 2.41 5.41 -0.85 -5.08 119.36 117.23 3bv9 n ILE 79 Ca -0.01 0.27 -0.36 0.00 1.00 0.00 0.00 62.75 63.65 3bv9 n ILE 79 Cb 0.25 -1.23 -0.01 0.00 -0.71 0.00 0.00 39.64 37.95 3bv9 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3bv9 s GLU 80 N -2.00 3.57 0.10 0.38 -1.05 -0.71 -4.80 118.70 114.19 3bv9 s GLU 80 Ca 0.00 1.66 0.07 0.00 -0.15 0.00 0.00 54.97 56.56 3bv9 s GLU 80 Cb 0.00 -2.19 -0.03 0.00 -0.44 0.00 0.00 34.13 31.47 3bv9 s GLU 80 CO 0.00 -0.68 -0.18 0.15 0.95 0.00 0.00 175.26 175.49 3bv9 s LYS 81 N -3.02 1.06 0.06 -4.83 -0.14 0.32 -4.97 119.74 108.22 3bv9 s LYS 81 Ca 0.68 -1.15 0.08 0.00 -1.36 0.00 0.00 55.97 54.22 3bv9 s LYS 81 Cb -0.25 -1.21 -0.03 0.00 -1.68 0.00 0.00 37.83 34.66 3bv9 s LYS 81 CO 0.30 0.27 -0.22 -1.50 -0.76 0.00 0.00 175.35 173.44 3bv9 s ILE 82 N -1.38 1.74 -0.08 2.17 2.07 -1.26 -0.64 121.20 123.83 3bv9 s ILE 82 Ca 0.06 -1.32 -0.16 0.00 -1.41 0.00 0.00 60.65 57.82 3bv9 s ILE 82 Cb -0.09 -1.53 0.03 0.00 0.13 0.00 0.00 42.46 41.00 3bv9 s ILE 82 CO 0.04 0.16 0.37 -0.55 -1.91 0.00 0.00 174.94 173.05 3bv9 s SER 83 N -1.38 -0.32 0.64 4.50 0.15 -0.62 -5.00 113.70 111.66 3bv9 s SER 83 Ca 0.08 0.44 -0.08 0.00 0.70 0.00 0.00 55.95 57.09 3bv9 s SER 83 Cb -0.09 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 3bv9 s SER 83 CO 0.03 -0.32 0.98 -0.04 1.20 0.00 0.00 173.24 175.08 3bv9 s MET 84 N -0.65 2.87 -0.15 5.44 -1.94 -1.26 -1.61 119.30 122.00 3bv9 s MET 84 Ca -0.07 0.17 -0.03 0.00 -1.71 0.00 0.00 55.69 54.04 3bv9 s MET 84 Cb -0.04 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 34.60 3bv9 s MET 84 CO 0.03 -0.85 -0.04 -0.51 -0.01 0.00 0.00 175.02 173.64 3bv9 s LEU 85 N -5.14 3.23 0.06 -0.03 1.43 -1.26 -1.10 118.68 115.87 3bv9 s LEU 85 Ca 0.56 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 3bv9 s LEU 85 Cb -0.11 -1.78 -0.22 0.00 0.03 0.00 0.00 46.19 44.12 3bv9 s LEU 85 CO 0.48 0.18 1.18 -0.08 0.23 0.00 0.00 176.35 178.33 3bv9 h GLU 86 N 6.66 0.62 -2.21 1.70 4.81 -0.25 -3.44 114.58 122.46 3bv9 h GLU 86 Ca -0.31 -0.63 0.01 0.00 -0.13 0.00 0.00 59.36 58.30 3bv9 h GLU 86 Cb 1.19 0.17 -0.17 0.00 0.63 0.00 0.00 28.75 30.57 3bv9 h GLU 86 CO 0.62 1.23 0.33 0.21 -0.73 0.00 0.00 179.01 180.68 3bv9 s LYS 87 N -3.37 0.97 0.09 1.92 2.47 -1.19 -4.92 119.74 115.71 3bv9 s LYS 87 Ca -0.11 -0.05 0.08 0.00 -1.56 0.00 0.00 55.97 54.33 3bv9 s LYS 87 Cb 0.06 0.45 -0.04 0.00 -1.46 0.00 0.00 37.83 36.85 3bv9 s LYS 87 CO 0.88 -0.36 -0.18 0.42 0.16 0.00 0.00 175.35 176.27 3bv9 s ILE 88 N -2.18 2.82 -0.04 5.43 1.01 -1.26 -0.44 121.20 126.54 3bv9 s ILE 88 Ca -0.03 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.25 3bv9 s ILE 88 Cb -0.01 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.24 3bv9 s ILE 88 CO -0.01 0.20 -0.00 -0.31 0.00 0.00 0.00 174.94 174.82 3bv9 s TYR 89 N -1.05 0.42 -0.01 3.97 1.51 0.12 -4.99 117.35 117.31 3bv9 s TYR 89 Ca 0.17 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 3bv9 s TYR 89 Cb -0.11 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 3bv9 s TYR 89 CO 0.08 -0.17 -0.10 0.42 -1.11 0.00 0.00 175.55 174.67 3bv9 s ILE 90 N 1.21 3.39 0.15 2.71 1.01 -1.26 -0.07 121.20 128.34 3bv9 s ILE 90 Ca -0.07 -0.80 -0.34 0.00 0.00 0.00 0.00 60.65 59.44 3bv9 s ILE 90 Cb -0.13 -2.43 -0.15 0.00 0.01 0.00 0.00 42.46 39.76 3bv9 s ILE 90 CO -0.02 0.45 1.50 1.57 0.00 0.00 0.00 174.94 178.44 3bv9 n HIS 91 N 1.79 2.07 0.15 3.97 -0.00 -1.04 -4.83 115.22 117.33 3bv9 n HIS 91 Ca -0.16 0.37 0.15 0.00 -0.00 0.00 0.00 57.72 58.08 3bv9 n HIS 91 Cb 0.52 -2.48 0.72 0.00 -0.00 0.00 0.00 29.99 28.75 3bv9 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3bv9 h PRO 92 N 5.43 0.00 -0.67 1.57 0.13 -1.95 -1.37 132.00 135.14 3bv9 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3bv9 h PRO 92 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3bv9 h PRO 92 CO 0.85 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.16 3bv9 n ARG 93 N -4.27 3.12 -1.69 0.86 5.12 -1.26 -4.96 116.66 113.57 3bv9 n ARG 93 Ca 0.03 -2.61 -0.44 0.00 -1.93 0.00 0.00 57.85 52.90 3bv9 n ARG 93 Cb 0.34 -1.71 -0.04 0.00 -1.16 0.00 0.00 32.46 29.90 3bv9 n ARG 93 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3bv9 n TYR 94 N 1.29 2.54 -3.61 -1.55 9.36 -0.52 -4.80 117.16 119.88 3bv9 n TYR 94 Ca 0.24 0.03 -0.39 0.00 3.32 0.00 0.00 57.90 61.09 3bv9 n TYR 94 Cb 0.72 -2.66 -0.08 0.00 -0.63 0.00 0.00 39.34 36.69 3bv9 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3bv9 s ASN 95 N 1.91 5.65 -0.02 2.98 3.84 -0.78 -4.94 114.94 123.58 3bv9 s ASN 95 Ca 0.80 -2.52 -0.05 0.00 0.21 0.00 0.00 52.86 51.30 3bv9 s ASN 95 Cb -0.56 -1.96 -0.28 0.00 -0.55 0.00 0.00 41.25 37.90 3bv9 s ASN 95 CO 0.37 -0.50 0.76 4.11 -2.79 0.00 0.00 177.10 179.05 3bv9 h TRP 96 N 7.61 0.50 0.00 0.43 5.08 -1.92 -1.17 115.95 126.48 3bv9 h TRP 96 Ca -0.05 -0.37 0.00 0.00 1.08 0.00 0.00 58.89 59.55 3bv9 h TRP 96 Cb 1.01 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 3bv9 h TRP 96 CO 0.74 1.47 0.00 0.54 -1.28 0.00 0.00 178.44 179.91 3bv9 n ARG 97 N -3.47 0.34 -3.31 0.12 1.74 -1.26 -4.41 116.66 106.40 3bv9 n ARG 97 Ca -0.20 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.92 3bv9 n ARG 97 Cb 1.05 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 31.34 3bv9 n ARG 97 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3bv9 s GLU 97 N -1.38 0.01 0.00 5.56 -6.30 -1.25 -5.03 118.70 110.32 3bv9 s GLU 97 Ca 0.00 0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.50 3bv9 s GLU 97 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 34.13 34.15 3bv9 s GLU 97 CO 0.00 -0.00 0.00 0.27 0.02 0.00 0.00 175.26 175.55 3bv9 n ASN 98 N 4.07 -0.07 -3.30 -1.70 6.94 -1.26 -3.67 115.26 116.27 3bv9 n ASN 98 Ca -0.09 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.24 3bv9 n ASN 98 Cb 0.56 -0.26 0.06 0.00 -2.36 0.00 0.00 39.78 37.78 3bv9 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3bv9 n LEU 99 N 0.00 -3.11 -4.77 -4.53 4.77 -0.45 -4.94 117.00 103.97 3bv9 n LEU 99 Ca 0.00 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 3bv9 n LEU 99 Cb 0.01 -2.96 -0.01 0.00 -2.33 0.00 0.00 43.42 38.13 3bv9 n LEU 99 CO 0.00 0.49 1.10 -0.62 -1.33 0.00 0.00 177.39 177.03 3bv9 s ASP 100 N -3.09 6.50 -1.17 -1.43 2.15 -1.19 -2.62 116.67 115.83 3bv9 s ASP 100 Ca 0.47 2.90 -0.01 0.00 0.43 0.00 0.00 52.55 56.34 3bv9 s ASP 100 Cb -0.21 -2.66 -0.01 0.00 -0.30 0.00 0.00 42.92 39.75 3bv9 s ASP 100 CO 0.58 -0.76 0.98 0.54 -0.17 0.00 0.00 175.17 176.34 3bv9 n ARG 101 N 0.90 -6.05 -2.42 4.34 1.74 -1.26 -1.87 116.66 112.04 3bv9 n ARG 101 Ca 0.02 0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 3bv9 n ARG 101 Cb 0.40 -5.82 0.00 0.00 -1.02 0.00 0.00 32.46 26.02 3bv9 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bv9 n ASP 102 N -3.11 4.75 -3.81 0.55 2.03 -1.08 -4.41 116.55 111.47 3bv9 n ASP 102 Ca -0.26 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.00 3bv9 n ASP 102 Cb 0.66 -1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.29 3bv9 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3bv9 s ILE 103 N 3.10 0.05 0.02 5.18 2.07 -1.26 -3.62 121.20 126.74 3bv9 s ILE 103 Ca 0.49 -0.41 -0.15 0.00 -1.41 0.00 0.00 60.65 59.17 3bv9 s ILE 103 Cb 0.06 -0.45 0.02 0.00 0.13 0.00 0.00 42.46 42.22 3bv9 s ILE 103 CO 0.02 -0.22 0.33 0.00 -1.91 0.00 0.00 174.94 173.16 3bv9 s ALA 104 N -0.88 -0.79 0.11 1.50 0.00 -0.47 -2.51 121.76 118.73 3bv9 s ALA 104 Ca -0.10 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.16 3bv9 s ALA 104 Cb -0.05 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3bv9 s ALA 104 CO 0.02 -0.37 -0.26 -0.51 0.00 0.00 0.00 175.76 174.65 3bv9 s LEU 105 N -1.78 2.29 -0.06 0.00 1.43 0.90 -1.60 118.68 119.87 3bv9 s LEU 105 Ca -0.08 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 3bv9 s LEU 105 Cb -0.02 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 45.04 3bv9 s LEU 105 CO -0.00 0.17 -0.07 -0.04 0.23 0.00 0.00 176.35 176.64 3bv9 s MET 106 N -1.90 1.17 -0.18 1.70 -1.94 0.28 0.10 119.30 118.53 3bv9 s MET 106 Ca 0.12 -0.20 -0.13 0.00 -1.71 0.00 0.00 55.69 53.78 3bv9 s MET 106 Cb -0.10 -1.11 -0.05 0.00 2.01 0.00 0.00 34.83 35.58 3bv9 s MET 106 CO 0.05 -0.09 0.24 0.21 -0.01 0.00 0.00 175.02 175.43 3bv9 s LYS 107 N 1.01 4.23 0.43 2.03 2.20 0.42 -0.85 119.74 129.20 3bv9 s LYS 107 Ca -0.09 -0.02 -0.23 0.00 -0.36 0.00 0.00 55.97 55.27 3bv9 s LYS 107 Cb -0.14 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.65 3bv9 s LYS 107 CO -0.00 0.23 1.04 -0.51 -0.36 0.00 0.00 175.35 175.75 3bv9 s LEU 108 N 0.52 4.05 0.49 5.43 1.43 0.10 0.39 118.68 131.08 3bv9 s LEU 108 Ca 0.13 2.00 0.26 0.00 -1.03 0.00 0.00 54.13 55.49 3bv9 s LEU 108 Cb -0.12 -4.30 1.25 0.00 0.03 0.00 0.00 46.19 43.04 3bv9 s LEU 108 CO 0.02 -0.57 1.98 0.11 0.23 0.00 0.00 176.35 178.12 3bv9 h LYS 109 N 2.21 0.00 -3.76 1.70 1.57 -1.39 -3.39 116.57 113.51 3bv9 h LYS 109 Ca -0.49 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 3bv9 h LYS 109 Cb 1.22 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.35 3bv9 h LYS 109 CO 0.61 0.17 -0.52 0.15 -0.57 0.00 0.00 179.45 179.30 3bv9 s LYS 110 N -4.03 0.58 0.42 3.15 1.02 -1.26 -4.94 119.74 114.68 3bv9 s LYS 110 Ca -0.02 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 55.03 3bv9 s LYS 110 Cb 0.12 0.23 -0.08 0.00 -0.52 0.00 0.00 37.83 37.58 3bv9 s LYS 110 CO 0.61 -0.14 1.18 -1.25 -0.92 0.00 0.00 175.35 174.82 3bv9 s PRO 111 N -2.43 3.96 0.09 -1.68 0.04 -1.26 -4.86 135.00 128.86 3bv9 s PRO 111 Ca -0.06 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 3bv9 s PRO 111 Cb -0.02 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 3bv9 s PRO 111 CO -0.04 -0.40 0.43 0.54 0.04 0.00 0.00 177.00 177.58 3bv9 s VAL 112 N -1.44 5.04 0.09 -0.36 0.11 -0.46 -5.03 120.40 118.35 3bv9 s VAL 112 Ca 0.59 0.55 -0.29 0.00 -2.93 0.00 0.00 61.98 59.90 3bv9 s VAL 112 Cb -0.31 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.82 3bv9 s VAL 112 CO 0.38 0.29 0.93 0.00 -3.33 0.00 0.00 175.10 173.37 3bv9 s ALA 113 N -1.40 3.26 0.52 1.54 0.00 -1.26 -4.81 121.76 119.61 3bv9 s ALA 113 Ca 0.34 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 3bv9 s ALA 113 Cb -0.14 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3bv9 s ALA 113 CO 0.18 -0.03 1.00 -0.06 0.00 0.00 0.00 175.76 176.84 3bv9 s PHE 114 N 0.11 3.31 0.00 0.00 0.08 -1.26 -4.85 117.98 115.36 3bv9 s PHE 114 Ca 0.46 1.50 0.00 0.00 0.12 0.00 0.00 56.93 59.01 3bv9 s PHE 114 Cb -0.23 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 3bv9 s PHE 114 CO 0.28 -0.52 0.00 -1.13 -0.10 0.00 0.00 175.22 173.76 3bv9 n SER 115 N -1.49 0.00 0.30 1.36 3.41 -0.34 -4.94 113.62 111.92 3bv9 n SER 115 Ca 0.07 -0.97 0.19 0.00 -0.26 0.00 0.00 58.87 57.90 3bv9 n SER 115 Cb 0.54 0.00 0.92 0.00 -0.26 0.00 0.00 64.21 65.41 3bv9 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bv9 h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -2.00 -3.08 116.42 118.69 3bv9 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3bv9 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3bv9 h ASP 116 CO 0.00 0.02 -0.41 -1.22 -1.72 0.00 0.00 179.24 175.91 3bv9 n TYR 117 N -3.18 0.00 -3.85 4.55 4.01 -1.26 -4.76 117.16 112.67 3bv9 n TYR 117 Ca -0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.47 3bv9 n TYR 117 Cb 0.19 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.05 3bv9 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3bv9 s ILE 118 N -1.86 0.80 -0.28 -0.72 1.01 -1.17 -4.33 121.20 114.66 3bv9 s ILE 118 Ca 0.07 -0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.24 3bv9 s ILE 118 Cb 0.09 -0.94 0.10 0.00 0.01 0.00 0.00 42.46 41.72 3bv9 s ILE 118 CO 0.40 0.23 0.84 -2.28 0.00 0.00 0.00 174.94 174.14 3bv9 s HIS 119 N 1.79 -0.72 0.54 3.97 2.46 -0.73 -1.20 115.29 121.40 3bv9 s HIS 119 Ca 0.04 1.63 -0.19 0.00 0.47 0.00 0.00 55.06 57.01 3bv9 s HIS 119 Cb -0.13 0.38 -0.06 0.00 -0.13 0.00 0.00 32.58 32.64 3bv9 s HIS 119 CO -0.07 -0.35 1.10 -1.25 -2.47 0.00 0.00 174.74 171.69 3bv9 s PRO 120 N 0.73 3.42 0.27 2.88 0.04 -1.26 -2.54 135.00 138.54 3bv9 s PRO 120 Ca -0.02 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 3bv9 s PRO 120 Cb -0.05 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3bv9 s PRO 120 CO -0.08 -0.77 0.48 0.54 0.04 0.00 0.00 177.00 177.21 3bv9 s VAL 121 N -1.94 5.13 0.36 -0.36 0.11 -0.61 -4.92 120.40 118.17 3bv9 s VAL 121 Ca 0.70 -0.34 -0.09 0.00 -2.93 0.00 0.00 61.98 59.33 3bv9 s VAL 121 Cb -0.21 -3.78 -0.06 0.00 -1.53 0.00 0.00 36.38 30.80 3bv9 s VAL 121 CO 0.27 -0.34 0.69 0.00 -3.33 0.00 0.00 175.10 172.39 3bv9 s LEU 123 N -3.70 4.16 0.60 0.00 1.43 -1.26 -0.96 118.68 118.95 3bv9 s LEU 123 Ca 0.49 0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.77 3bv9 s LEU 123 Cb -0.10 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3bv9 s LEU 123 CO 0.30 0.40 1.20 -2.16 0.23 0.00 0.00 176.35 176.32 3bv9 s PRO 124 N -0.96 2.96 0.46 1.29 0.04 -1.26 -4.94 135.00 132.59 3bv9 s PRO 124 Ca 0.14 1.81 0.07 0.00 0.04 0.00 0.00 61.00 63.07 3bv9 s PRO 124 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3bv9 s PRO 124 CO 0.03 -1.21 0.41 0.16 0.04 0.00 0.00 177.00 176.43 3bv9 s ASP 125 N -1.63 4.91 0.22 6.66 3.84 -1.26 -4.88 116.67 124.54 3bv9 s ASP 125 Ca 0.77 -0.90 -0.08 0.00 -0.00 0.00 0.00 52.55 52.34 3bv9 s ASP 125 Cb -0.30 -0.24 0.34 0.00 -1.38 0.00 0.00 42.92 41.34 3bv9 s ASP 125 CO 0.33 -0.82 1.74 -0.09 -0.00 0.00 0.00 175.17 176.33 3bv9 h ARG 126 N 0.91 0.42 -0.77 2.11 2.43 -1.97 -2.27 114.38 115.24 3bv9 h ARG 126 Ca -0.39 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 3bv9 h ARG 126 Cb 1.28 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 3bv9 h ARG 126 CO 0.57 0.28 0.38 1.49 -1.51 0.00 0.00 179.97 181.18 3bv9 h GLU 127 N 0.44 1.09 -0.36 0.20 4.81 -2.03 0.14 114.58 118.86 3bv9 h GLU 127 Ca 0.35 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3bv9 h GLU 127 Cb 0.46 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3bv9 h GLU 127 CO -0.34 0.82 0.00 2.41 -0.73 0.00 0.00 179.01 181.18 3bv9 n THR 128 N -4.33 0.00 0.00 0.32 -1.04 -0.85 -1.20 114.28 107.17 3bv9 n THR 128 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3bv9 n THR 128 Cb 0.13 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3bv9 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bv9 n ALA 129 N 0.28 0.00 0.05 2.41 0.00 0.49 -0.35 120.51 123.39 3bv9 n ALA 129 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3bv9 n ALA 129 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 3bv9 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bv9 h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.39 -3.40 113.55 113.40 3bv9 h SER 129 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3bv9 h SER 129 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3bv9 h SER 129 CO 0.00 0.63 -2.10 0.18 -0.87 0.00 0.00 176.83 174.67 3bv9 n LEU 129 N -2.99 0.00 -3.94 5.97 4.77 0.52 -4.69 117.00 116.64 3bv9 n LEU 129 Ca -0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 3bv9 n LEU 129 Cb 0.85 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 3bv9 n LEU 129 CO 0.43 0.21 2.48 0.18 -1.33 0.00 0.00 177.39 179.35 3bv9 n LEU 130 N -2.43 6.40 -4.22 2.23 4.32 -1.26 -4.82 117.00 117.22 3bv9 n LEU 130 Ca -0.16 -4.12 -0.24 0.00 -0.02 0.00 0.00 56.01 51.47 3bv9 n LEU 130 Cb 0.79 -1.67 -0.14 0.00 -1.62 0.00 0.00 43.42 40.78 3bv9 n LEU 130 CO 0.42 0.90 -0.51 -1.10 -1.22 0.00 0.00 177.39 175.89 3bv9 s GLN 131 N 3.27 1.30 0.34 3.23 -1.52 -1.26 -4.97 119.66 120.04 3bv9 s GLN 131 Ca 0.48 -0.88 -0.29 0.00 -1.95 0.00 0.00 55.36 52.73 3bv9 s GLN 131 Cb 0.11 -1.38 -0.11 0.00 -0.22 0.00 0.00 33.01 31.41 3bv9 s GLN 131 CO -0.05 0.35 1.53 0.00 -0.25 0.00 0.00 175.29 176.87 3bv9 n ALA 132 N 1.93 2.38 0.00 6.09 0.00 -1.26 -1.87 120.51 127.77 3bv9 n ALA 132 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3bv9 n ALA 132 Cb 0.54 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3bv9 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bv9 n GLY 133 N 1.27 3.21 3.75 0.00 0.00 0.11 -4.94 105.19 108.59 3bv9 n GLY 133 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3bv9 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bv9 s TYR 134 N -2.26 3.62 0.00 1.61 1.51 -0.78 -4.65 117.35 116.40 3bv9 s TYR 134 Ca 0.00 1.69 -0.06 0.00 -1.01 0.00 0.00 57.07 57.69 3bv9 s TYR 134 Cb 0.00 -3.25 -0.05 0.00 -0.11 0.00 0.00 41.96 38.55 3bv9 s TYR 134 CO 0.00 -0.48 0.25 0.15 -1.11 0.00 0.00 175.55 174.36 3bv9 s LYS 135 N -1.09 3.55 0.48 -0.62 1.02 -1.26 -0.83 119.74 120.99 3bv9 s LYS 135 Ca 0.46 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.35 3bv9 s LYS 135 Cb -0.31 -3.08 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 3bv9 s LYS 135 CO 0.38 0.66 0.05 0.20 -0.92 0.00 0.00 175.35 175.72 3bv9 s GLY 136 N -1.72 2.90 -0.05 -3.33 0.00 -0.23 -4.81 107.32 100.08 3bv9 s GLY 136 Ca 0.27 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.37 3bv9 s GLY 136 CO 0.16 -2.07 -0.16 -1.60 0.00 0.00 0.00 173.10 169.43 3bv9 s ARG 137 N -3.82 1.83 -0.04 2.90 3.52 0.89 -1.09 118.95 123.14 3bv9 s ARG 137 Ca 0.12 -0.56 0.06 0.00 -0.13 0.00 0.00 55.73 55.22 3bv9 s ARG 137 Cb 0.02 -1.54 -0.02 0.00 -1.56 0.00 0.00 34.95 31.85 3bv9 s ARG 137 CO 0.07 0.17 -0.22 0.08 -0.81 0.00 0.00 175.30 174.59 3bv9 s VAL 138 N 0.26 2.40 0.04 7.11 1.01 -0.34 -0.67 120.40 130.20 3bv9 s VAL 138 Ca -0.08 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3bv9 s VAL 138 Cb -0.13 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3bv9 s VAL 138 CO 0.03 0.58 -0.08 0.42 0.00 0.00 0.00 175.10 176.05 3bv9 s THR 139 N -0.51 0.60 0.00 3.92 -4.23 -1.21 -1.42 115.64 112.78 3bv9 s THR 139 Ca 0.07 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 3bv9 s THR 139 Cb -0.11 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.10 3bv9 s THR 139 CO 0.01 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 3bv9 n GLY 140 N 1.71 -0.02 1.12 3.99 0.00 -0.68 -4.48 105.19 106.83 3bv9 n GLY 140 Ca -0.21 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 44.84 3bv9 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3bv9 n TRP 141 N -0.33 1.20 -0.86 1.61 8.01 -1.26 -1.42 117.44 124.40 3bv9 n TRP 141 Ca 0.00 -1.08 -0.24 0.00 -1.31 0.00 0.00 57.50 54.87 3bv9 n TRP 141 Cb 0.00 -0.41 0.20 0.00 -2.01 0.00 0.00 31.31 29.09 3bv9 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bv9 n GLY 142 N -0.59 -2.83 3.74 6.99 0.00 -1.25 -4.53 105.19 106.72 3bv9 n GLY 142 Ca 0.27 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 3bv9 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bv9 s ASN 143 N -3.73 4.73 0.21 1.61 0.01 0.93 -3.09 114.94 115.60 3bv9 s ASN 143 Ca 0.56 2.51 0.25 0.00 -0.71 0.00 0.00 52.86 55.46 3bv9 s ASN 143 Cb -0.06 -2.61 0.51 0.00 0.41 0.00 0.00 41.25 39.50 3bv9 s ASN 143 CO 0.43 -1.91 1.53 -0.07 -1.51 0.00 0.00 177.10 175.56 3bv9 h LEU 144 N 0.52 0.00 -7.13 0.60 3.38 -0.66 0.35 115.31 112.37 3bv9 h LEU 144 Ca -0.50 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 3bv9 h LEU 144 Cb 1.32 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.90 3bv9 h LEU 144 CO 0.53 0.04 0.08 -0.75 0.09 0.00 0.00 178.44 178.44 3bv9 s LYS 145 N -3.16 1.04 0.24 1.13 2.20 -0.69 -4.36 119.74 116.14 3bv9 s LYS 145 Ca 0.08 -0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 3bv9 s LYS 145 Cb 0.11 0.48 0.27 0.00 -1.51 0.00 0.00 37.83 37.18 3bv9 s LYS 145 CO 0.67 -0.36 1.61 1.49 -0.36 0.00 0.00 175.35 178.40 3bv9 h GLU 146 N 2.88 0.44 -6.11 4.03 4.81 -1.87 -3.44 114.58 115.33 3bv9 h GLU 146 Ca -0.30 -0.23 -0.53 0.00 -0.13 0.00 0.00 59.36 58.17 3bv9 h GLU 146 Cb 1.19 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 3bv9 h GLU 146 CO 0.40 0.80 -0.49 0.95 -0.73 0.00 0.00 179.01 179.94 3bv9 s THR 147 N -4.14 3.01 0.12 0.32 -4.23 -1.26 -4.96 115.64 104.50 3bv9 s THR 147 Ca -0.06 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 58.93 3bv9 s THR 147 Cb 0.12 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3bv9 s THR 147 CO 0.81 -0.13 -0.13 -1.66 -0.54 0.00 0.00 174.62 172.96 3bv9 s TRP 148 N -2.42 1.33 0.49 3.99 1.48 -1.26 -3.95 118.94 118.60 3bv9 s TRP 148 Ca 0.40 -0.58 0.02 0.00 -1.06 0.00 0.00 56.10 54.88 3bv9 s TRP 148 Cb -0.03 -0.70 -0.01 0.00 -1.16 0.00 0.00 33.47 31.58 3bv9 s TRP 148 CO 0.24 0.12 0.04 0.95 -4.06 0.00 0.00 176.95 174.24 3bv9 s THR 149 N -2.24 0.92 0.43 0.66 -4.23 0.61 -5.00 115.64 106.78 3bv9 s THR 149 Ca 0.08 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 3bv9 s THR 149 Cb -0.04 -2.14 0.23 0.00 1.34 0.00 0.00 72.50 71.89 3bv9 s THR 149 CO 0.02 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.14 3bv9 h ALA 149 N 1.43 1.71 0.00 3.99 0.00 -2.01 -3.24 119.26 121.15 3bv9 h ALA 149 Ca -0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3bv9 h ALA 149 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3bv9 h ALA 149 CO 0.68 0.23 -1.68 0.27 0.00 0.00 0.00 179.25 178.75 3bv9 n ASN 149 N -4.43 1.34 -4.07 0.00 6.94 -1.26 -4.92 115.26 108.86 3bv9 n ASN 149 Ca 0.00 -0.04 -0.32 0.00 -0.02 0.00 0.00 54.58 54.21 3bv9 n ASN 149 Cb 0.13 1.69 -0.16 0.00 -2.36 0.00 0.00 39.78 39.09 3bv9 n ASN 149 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3bv9 s VAL 149 N -3.08 1.92 0.50 3.53 1.01 -1.22 -5.12 120.40 117.95 3bv9 s VAL 149 Ca -0.05 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 3bv9 s VAL 149 Cb 0.10 -1.86 0.12 0.00 0.00 0.00 0.00 36.38 34.74 3bv9 s VAL 149 CO 0.66 0.34 0.65 0.61 0.00 0.00 0.00 175.10 177.36 3bv9 n GLY 149 N 4.62 -1.46 0.29 4.51 0.00 -1.26 -0.29 105.19 111.59 3bv9 n GLY 149 Ca -0.18 -1.67 0.16 0.00 0.00 0.00 0.00 46.02 44.33 3bv9 n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bv9 h LYS 149 N 0.00 0.00 -0.27 1.61 1.57 -1.84 -3.44 116.57 114.20 3bv9 h LYS 149 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3bv9 h LYS 149 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3bv9 h LYS 149 CO 0.15 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 3bv9 n GLY 150 N -0.77 -2.88 3.04 3.86 0.00 -1.26 -1.71 105.19 105.48 3bv9 n GLY 150 Ca -0.02 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 3bv9 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bv9 s GLN 151 N -3.77 2.09 0.61 1.61 -0.21 -1.26 -1.38 119.66 117.35 3bv9 s GLN 151 Ca 0.00 -1.32 -0.18 0.00 0.02 0.00 0.00 55.36 53.89 3bv9 s GLN 151 Cb 0.00 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 3bv9 s GLN 151 CO 0.00 -0.60 1.15 -1.25 -2.12 0.00 0.00 175.29 172.47 3bv9 s PRO 152 N 1.14 2.97 -0.04 2.91 0.04 -1.26 -4.94 135.00 135.82 3bv9 s PRO 152 Ca -0.07 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 3bv9 s PRO 152 Cb -0.20 -1.95 -0.27 0.00 0.04 0.00 0.00 34.50 32.12 3bv9 s PRO 152 CO -0.05 -1.15 0.67 0.77 0.04 0.00 0.00 177.00 177.27 3bv9 h SER 153 N 0.63 0.39 -2.97 6.66 0.02 -1.96 -3.43 113.55 112.89 3bv9 h SER 153 Ca -0.49 -0.65 -0.62 0.00 -0.84 0.00 0.00 61.79 59.19 3bv9 h SER 153 Cb 1.27 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 3bv9 h SER 153 CO 0.55 1.56 -0.25 -0.69 -1.14 0.00 0.00 176.83 176.86 3bv9 s VAL 154 N -2.59 5.10 0.18 2.27 1.01 -1.26 0.18 120.40 125.29 3bv9 s VAL 154 Ca -0.13 0.70 -0.32 0.00 0.00 0.00 0.00 61.98 62.22 3bv9 s VAL 154 Cb 0.07 -3.66 -0.16 0.00 0.00 0.00 0.00 36.38 32.63 3bv9 s VAL 154 CO 0.83 0.54 1.09 -0.11 0.00 0.00 0.00 175.10 177.46 3bv9 n LEU 155 N 1.71 1.29 -4.77 3.92 7.94 -0.29 -4.83 117.00 121.96 3bv9 n LEU 155 Ca -0.14 1.15 -0.28 0.00 -1.11 0.00 0.00 56.01 55.63 3bv9 n LEU 155 Cb 0.53 -1.19 -0.06 0.00 0.53 0.00 0.00 43.42 43.22 3bv9 n LEU 155 CO 0.37 -1.46 -0.25 -1.10 -1.11 0.00 0.00 177.39 173.84 3bv9 s GLN 156 N -0.55 2.83 -0.03 1.96 -1.52 -0.51 -1.03 119.66 120.81 3bv9 s GLN 156 Ca 0.72 -0.83 -0.03 0.00 -1.95 0.00 0.00 55.36 53.26 3bv9 s GLN 156 Cb -0.86 -2.64 0.01 0.00 -0.22 0.00 0.00 33.01 29.30 3bv9 s GLN 156 CO 0.54 0.51 0.08 0.54 -0.25 0.00 0.00 175.29 176.71 3bv9 s VAL 157 N -1.61 0.00 -0.03 1.09 0.11 -0.14 -1.68 120.40 118.14 3bv9 s VAL 157 Ca 0.30 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.28 3bv9 s VAL 157 Cb -0.11 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 3bv9 s VAL 157 CO 0.22 -0.01 0.12 0.54 -3.33 0.00 0.00 175.10 172.64 3bv9 s VAL 158 N -0.00 0.03 -0.18 2.04 0.11 -0.51 -1.24 120.40 120.65 3bv9 s VAL 158 Ca -0.00 -0.21 -0.09 0.00 -2.93 0.00 0.00 61.98 58.75 3bv9 s VAL 158 Cb -0.01 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 3bv9 s VAL 158 CO 0.00 -0.12 0.12 0.20 -3.33 0.00 0.00 175.10 171.97 3bv9 s ASN 159 N -0.35 6.13 0.01 3.54 0.01 -1.26 -1.19 114.94 121.83 3bv9 s ASN 159 Ca -0.04 0.26 0.01 0.00 -0.71 0.00 0.00 52.86 52.38 3bv9 s ASN 159 Cb -0.03 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 3bv9 s ASN 159 CO 0.00 0.23 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.02 3bv9 s LEU 160 N 0.03 2.10 0.24 0.60 1.43 -0.25 -4.95 118.68 117.87 3bv9 s LEU 160 Ca 0.09 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 3bv9 s LEU 160 Cb -0.11 -0.15 -0.09 0.00 0.03 0.00 0.00 46.19 45.87 3bv9 s LEU 160 CO -0.00 -0.06 0.86 -2.16 0.23 0.00 0.00 176.35 175.23 3bv9 s PRO 161 N -0.61 4.63 0.38 1.29 0.04 -1.26 -1.06 135.00 138.40 3bv9 s PRO 161 Ca -0.03 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 3bv9 s PRO 161 Cb -0.04 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 3bv9 s PRO 161 CO -0.00 0.46 1.20 0.42 0.04 0.00 0.00 177.00 179.12 3bv9 s ILE 162 N -1.32 3.03 0.04 0.56 1.01 -0.01 -0.62 121.20 123.88 3bv9 s ILE 162 Ca 0.42 0.91 0.03 0.00 0.00 0.00 0.00 60.65 62.01 3bv9 s ILE 162 Cb -0.22 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3bv9 s ILE 162 CO 0.27 0.12 0.00 -0.69 0.00 0.00 0.00 174.94 174.64 3bv9 s VAL 163 N -1.33 4.10 0.25 2.92 1.01 -0.57 0.08 120.40 126.87 3bv9 s VAL 163 Ca 0.55 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 3bv9 s VAL 163 Cb -0.33 -2.88 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 3bv9 s VAL 163 CO 0.42 0.27 1.36 -0.62 0.00 0.00 0.00 175.10 176.54 3bv9 n GLU 164 N 1.05 1.98 -0.31 2.72 4.71 -1.26 -4.66 120.64 124.87 3bv9 n GLU 164 Ca -0.13 0.70 0.04 0.00 -0.01 0.00 0.00 57.16 57.76 3bv9 n GLU 164 Cb 0.52 -2.33 0.24 0.00 -1.01 0.00 0.00 31.44 28.86 3bv9 n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3bv9 h ARG 165 N 3.86 1.01 -0.47 3.49 3.08 -1.98 -1.71 114.38 121.66 3bv9 h ARG 165 Ca -0.45 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 3bv9 h ARG 165 Cb 1.28 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 3bv9 h ARG 165 CO 0.73 0.67 0.22 -1.35 -1.07 0.00 0.00 179.97 179.16 3bv9 h PRO 166 N 1.04 0.66 -0.32 0.04 0.11 -1.99 0.07 132.00 131.60 3bv9 h PRO 166 Ca 0.39 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.35 3bv9 h PRO 166 Cb 0.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3bv9 h PRO 166 CO -0.15 0.52 -0.11 0.28 -0.21 0.00 0.00 178.00 178.33 3bv9 h VAL 167 N 0.66 1.29 -0.21 3.15 2.07 -1.70 -0.16 116.25 121.34 3bv9 h VAL 167 Ca 0.16 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.54 3bv9 h VAL 167 Cb 0.08 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3bv9 h VAL 167 CO -0.02 0.38 0.03 0.00 0.02 0.00 0.00 177.57 177.98 3bv9 h LYS 169 N 0.11 1.29 0.00 0.00 1.57 -0.76 -2.52 116.57 116.25 3bv9 h LYS 169 Ca 0.10 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3bv9 h LYS 169 Cb 0.10 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3bv9 h LYS 169 CO -0.14 0.90 0.00 -0.44 -0.57 0.00 0.00 179.45 179.20 3bv9 h ASP 170 N 1.31 0.00 1.04 0.86 3.32 -0.68 -3.14 116.42 119.12 3bv9 h ASP 170 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3bv9 h ASP 170 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3bv9 h ASP 170 CO -0.06 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.92 3bv9 n SER 171 N -2.52 0.14 -3.91 6.45 3.41 -0.65 -4.88 113.62 111.65 3bv9 n SER 171 Ca 0.04 0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 59.07 3bv9 n SER 171 Cb 0.38 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.71 3bv9 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3bv9 s THR 172 N -3.02 0.13 -0.57 6.66 -1.32 -1.19 -4.84 115.64 111.49 3bv9 s THR 172 Ca 0.13 -1.31 0.23 0.00 -1.21 0.00 0.00 61.69 59.52 3bv9 s THR 172 Cb 0.17 -1.51 -0.10 0.00 -1.51 0.00 0.00 72.50 69.54 3bv9 s THR 172 CO 0.52 -0.58 1.02 0.54 -2.21 0.00 0.00 174.62 173.92 3bv9 n ARG 173 N -0.09 0.32 -2.13 7.08 1.74 -1.26 -4.90 116.66 117.43 3bv9 n ARG 173 Ca -0.13 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.54 3bv9 n ARG 173 Cb 0.63 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3bv9 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3bv9 s ILE 174 N -3.22 2.98 0.31 0.55 1.01 -1.26 -4.96 121.20 116.61 3bv9 s ILE 174 Ca 0.03 0.81 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 3bv9 s ILE 174 Cb 0.14 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 3bv9 s ILE 174 CO 0.80 0.12 1.28 -0.60 0.00 0.00 0.00 174.94 176.54 3bv9 s ARG 175 N -0.15 4.39 -0.14 2.79 3.52 -1.26 -5.01 118.95 123.09 3bv9 s ARG 175 Ca 0.58 2.15 -0.00 0.00 -0.13 0.00 0.00 55.73 58.33 3bv9 s ARG 175 Cb -0.39 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 3bv9 s ARG 175 CO 0.40 -0.15 -0.13 0.42 -0.81 0.00 0.00 175.30 175.03 3bv9 s ILE 176 N -1.00 3.00 0.45 4.11 1.01 -1.26 -4.82 121.20 122.69 3bv9 s ILE 176 Ca 0.49 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.55 3bv9 s ILE 176 Cb -0.39 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 39.83 3bv9 s ILE 176 CO 0.50 0.52 0.53 0.42 0.00 0.00 0.00 174.94 176.90 3bv9 s THR 177 N 0.49 2.64 -2.00 2.92 -4.23 -1.26 -4.98 115.64 109.22 3bv9 s THR 177 Ca -0.09 -1.16 0.22 0.00 -1.18 0.00 0.00 61.69 59.48 3bv9 s THR 177 Cb -0.16 -2.80 0.62 0.00 1.34 0.00 0.00 72.50 71.50 3bv9 s THR 177 CO 0.04 0.00 1.68 -0.90 -0.54 0.00 0.00 174.62 174.90 3bv9 n ASP 178 N -1.80 0.00 -1.36 3.99 5.75 -1.26 -2.37 116.55 119.49 3bv9 n ASP 178 Ca 0.07 -0.70 0.09 0.00 -0.01 0.00 0.00 54.79 54.24 3bv9 n ASP 178 Cb 0.61 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 41.01 3bv9 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bv9 n ASN 179 N -0.99 4.00 -3.93 -1.12 3.02 -1.26 -4.88 115.26 110.10 3bv9 n ASN 179 Ca 0.16 -2.25 -0.09 0.00 -0.03 0.00 0.00 54.58 52.38 3bv9 n ASN 179 Cb 0.07 -0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 38.65 3bv9 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bv9 s MET 180 N -1.56 0.67 0.16 3.52 0.23 -1.00 -0.15 119.30 121.17 3bv9 s MET 180 Ca 0.45 -0.89 -0.04 0.00 -1.03 0.00 0.00 55.69 54.19 3bv9 s MET 180 Cb 0.27 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.80 3bv9 s MET 180 CO 0.25 -0.18 0.15 -0.59 -2.03 0.00 0.00 175.02 172.62 3bv9 s PHE 181 N -3.20 0.77 0.14 3.16 -0.12 -0.24 -4.79 117.98 113.70 3bv9 s PHE 181 Ca 0.00 -1.11 0.07 0.00 -0.05 0.00 0.00 56.93 55.84 3bv9 s PHE 181 Cb 0.02 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 3bv9 s PHE 181 CO -0.07 -0.62 -0.15 0.00 -0.05 0.00 0.00 175.22 174.33 3bv9 s ALA 183 N -2.20 0.08 0.00 0.00 0.00 -0.71 -1.51 121.76 117.41 3bv9 s ALA 183 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3bv9 s ALA 183 Cb -0.05 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.46 3bv9 s ALA 183 CO 0.04 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3bv9 n GLY 184 N 0.07 3.95 3.82 0.00 0.00 0.20 -2.17 105.19 111.06 3bv9 n GLY 184 Ca -0.15 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3bv9 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bv9 s TYR 184 N -2.00 3.53 0.51 1.61 2.02 -1.26 -4.50 117.35 117.26 3bv9 s TYR 184 Ca 0.00 1.43 -0.10 0.00 -0.37 0.00 0.00 57.07 58.04 3bv9 s TYR 184 Cb 0.00 -2.67 -0.05 0.00 -0.40 0.00 0.00 41.96 38.84 3bv9 s TYR 184 CO 0.00 0.18 0.88 0.15 -1.57 0.00 0.00 175.55 175.20 3bv9 s LYS 185 N -2.46 3.66 0.38 -0.62 1.02 -1.26 -4.79 119.74 115.68 3bv9 s LYS 185 Ca 0.50 0.52 -0.27 0.00 0.02 0.00 0.00 55.97 56.74 3bv9 s LYS 185 Cb -0.14 -2.26 -0.11 0.00 -0.52 0.00 0.00 37.83 34.81 3bv9 s LYS 185 CO 0.19 -0.29 1.41 -2.30 -0.92 0.00 0.00 175.35 173.44 3bv9 n PRO 186 N -2.13 2.41 -2.32 -1.68 -0.02 -1.26 -1.83 135.00 128.18 3bv9 n PRO 186 Ca 0.03 0.85 -0.15 0.00 -2.02 0.00 0.00 63.50 62.22 3bv9 n PRO 186 Cb 0.54 -2.55 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3bv9 n PRO 186 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3bv9 n ASP 186 N 0.42 -4.48 -0.06 2.55 8.00 -1.26 -4.70 116.55 117.02 3bv9 n ASP 186 Ca 0.03 -0.03 0.09 0.00 0.71 0.00 0.00 54.79 55.59 3bv9 n ASP 186 Cb 0.39 -3.61 -0.09 0.00 -0.02 0.00 0.00 41.12 37.79 3bv9 n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3bv9 n GLU 186 N -2.45 0.91 0.00 -1.24 1.02 -0.76 -4.99 120.64 113.12 3bv9 n GLU 186 Ca -0.17 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 3bv9 n GLU 186 Cb 0.63 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3bv9 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bv9 n GLY 186 N 1.42 2.08 3.57 0.62 0.00 -1.26 -5.01 105.19 106.62 3bv9 n GLY 186 Ca 0.04 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 3bv9 n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bv9 n LYS 186 N 0.00 -0.24 -3.64 1.61 5.02 -1.26 -5.05 118.16 114.60 3bv9 n LYS 186 Ca 0.00 -0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 3bv9 n LYS 186 Cb 0.00 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 32.78 3bv9 n LYS 186 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3bv9 n ARG 187 N -3.00 0.59 0.00 1.97 1.74 -1.26 -4.77 116.66 111.94 3bv9 n ARG 187 Ca 0.10 -2.38 0.00 0.00 -0.77 0.00 0.00 57.85 54.80 3bv9 n ARG 187 Cb 0.52 1.45 0.00 0.00 -1.02 0.00 0.00 32.46 33.41 3bv9 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bv9 n GLY 188 N 0.00 4.66 3.58 -0.13 0.00 -1.26 -4.92 105.19 107.12 3bv9 n GLY 188 Ca -0.02 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 3bv9 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bv9 s ASP 189 N 0.00 -0.23 0.81 1.61 2.15 -0.98 -4.66 116.67 115.37 3bv9 s ASP 189 Ca 0.00 -0.07 -0.11 0.00 0.43 0.00 0.00 52.55 52.80 3bv9 s ASP 189 Cb 0.00 0.30 0.10 0.00 -0.30 0.00 0.00 42.92 43.01 3bv9 s ASP 189 CO 0.00 -0.50 1.16 0.00 -0.17 0.00 0.00 175.17 175.66 3bv9 s ALA 190 N -2.85 2.73 0.13 3.66 0.00 -1.26 -0.30 121.76 123.87 3bv9 s ALA 190 Ca 0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 3bv9 s ALA 190 Cb -0.00 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.30 3bv9 s ALA 190 CO -0.06 -1.71 0.21 0.00 0.00 0.00 0.00 175.76 174.21 3bv9 n GLU 192 N -0.21 1.79 0.00 0.00 2.13 -1.26 -0.77 120.64 122.31 3bv9 n GLU 192 Ca -0.01 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.45 3bv9 n GLU 192 Cb 0.22 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3bv9 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3bv9 n GLY 193 N 2.75 1.18 0.08 8.31 0.00 -1.26 -0.05 105.19 116.20 3bv9 n GLY 193 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3bv9 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bv9 n ASP 194 N 0.00 0.93 -4.57 1.61 8.00 0.05 -3.90 116.55 118.66 3bv9 n ASP 194 Ca 0.00 -0.77 -0.45 0.00 0.71 0.00 0.00 54.79 54.28 3bv9 n ASP 194 Cb 0.00 0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 3bv9 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3bv9 n SER 195 N -1.26 1.10 0.00 -2.24 7.64 -1.26 -1.60 113.62 116.00 3bv9 n SER 195 Ca 0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.11 3bv9 n SER 195 Cb 0.35 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 3bv9 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bv9 n GLY 196 N 1.41 2.60 3.77 0.23 0.00 0.03 -0.45 105.19 112.79 3bv9 n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3bv9 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bv9 s GLY 197 N -1.94 1.60 0.35 -0.02 0.00 -0.63 -3.05 107.32 103.63 3bv9 s GLY 197 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 3bv9 s GLY 197 CO 0.00 0.19 0.67 2.56 0.00 0.00 0.00 173.10 176.52 3bv9 s PRO 198 N -5.15 3.72 -0.25 2.90 0.04 -1.26 -0.82 135.00 134.18 3bv9 s PRO 198 Ca 0.63 0.27 0.03 0.00 0.04 0.00 0.00 61.00 61.96 3bv9 s PRO 198 Cb -0.15 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 31.94 3bv9 s PRO 198 CO 0.55 0.08 -0.11 0.12 0.04 0.00 0.00 177.00 177.68 3bv9 s PHE 199 N -2.23 3.17 0.20 0.56 2.19 -0.48 -3.36 117.98 118.03 3bv9 s PHE 199 Ca 0.48 -2.24 0.10 0.00 0.33 0.00 0.00 56.93 55.60 3bv9 s PHE 199 Cb -0.10 -1.90 -0.04 0.00 -1.31 0.00 0.00 43.02 39.66 3bv9 s PHE 199 CO 0.30 -0.87 -0.14 0.14 1.83 0.00 0.00 175.22 176.48 3bv9 s VAL 200 N 1.14 2.88 0.01 3.12 -7.23 0.15 -1.14 120.40 119.33 3bv9 s VAL 200 Ca -0.08 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 3bv9 s VAL 200 Cb -0.19 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 3bv9 s VAL 200 CO -0.06 -0.16 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.46 3bv9 s MET 201 N -2.91 0.53 -0.36 4.82 -1.94 0.10 -0.08 119.30 119.46 3bv9 s MET 201 Ca 0.25 -0.38 -0.16 0.00 -1.71 0.00 0.00 55.69 53.69 3bv9 s MET 201 Cb -0.08 -0.47 -0.00 0.00 2.01 0.00 0.00 34.83 36.29 3bv9 s MET 201 CO 0.14 0.12 0.40 0.21 -0.01 0.00 0.00 175.02 175.88 3bv9 s LYS 202 N -0.53 3.46 0.05 2.03 2.20 -1.26 -0.74 119.74 124.95 3bv9 s LYS 202 Ca -0.00 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 54.84 3bv9 s LYS 202 Cb -0.04 -3.84 -0.08 0.00 -1.51 0.00 0.00 37.83 32.35 3bv9 s LYS 202 CO 0.00 -0.62 1.65 0.45 -0.36 0.00 0.00 175.35 176.47 3bv9 s SER 203 N 1.76 6.62 0.00 1.43 0.15 -0.15 -4.87 113.70 118.64 3bv9 s SER 203 Ca 0.13 2.45 0.29 0.00 0.70 0.00 0.00 55.95 59.52 3bv9 s SER 203 Cb -0.16 -2.56 1.34 0.00 -1.71 0.00 0.00 66.02 62.93 3bv9 s SER 203 CO 0.12 -0.89 1.97 -0.81 1.20 0.00 0.00 173.24 174.83 3bv9 n PRO 204 N 5.80 0.22 0.09 5.44 -0.04 -1.26 -1.19 135.00 144.05 3bv9 n PRO 204 Ca 0.16 -0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.41 3bv9 n PRO 204 Cb 0.41 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 3bv9 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3bv9 h PHE 204 N 0.03 0.64 0.00 0.54 0.04 -1.96 -3.40 116.94 112.82 3bv9 h PHE 204 Ca 0.00 -0.46 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3bv9 h PHE 204 Cb 0.40 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.52 3bv9 h PHE 204 CO 0.00 1.50 -0.04 0.27 -0.60 0.00 0.00 178.31 179.44 3bv9 n ASN 204 N -3.55 0.63 -0.52 2.17 2.04 -1.24 -5.02 115.26 109.77 3bv9 n ASN 204 Ca -0.18 -1.42 -0.07 0.00 -0.44 0.00 0.00 54.58 52.47 3bv9 n ASN 204 Cb 1.06 -0.03 -0.03 0.00 -2.53 0.00 0.00 39.78 38.26 3bv9 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3bv9 n ASN 205 N -0.19 -5.39 -4.91 0.53 4.13 -0.34 -5.00 115.26 104.09 3bv9 n ASN 205 Ca 0.01 0.17 -0.31 0.00 1.68 0.00 0.00 54.58 56.12 3bv9 n ASN 205 Cb 0.45 -3.49 -0.04 0.00 -1.54 0.00 0.00 39.78 35.16 3bv9 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3bv9 s ARG 206 N -2.38 3.51 -0.02 3.52 0.52 -1.25 -4.80 118.95 118.04 3bv9 s ARG 206 Ca 0.00 -0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 54.68 3bv9 s ARG 206 Cb 0.00 -2.96 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 3bv9 s ARG 206 CO 0.00 0.55 0.64 -1.58 0.02 0.00 0.00 175.30 174.93 3bv9 s TRP 207 N -1.58 3.66 -0.02 -0.53 0.52 -1.26 -0.97 118.94 118.76 3bv9 s TRP 207 Ca 0.37 1.23 0.08 0.00 0.02 0.00 0.00 56.10 57.80 3bv9 s TRP 207 Cb -0.13 -2.68 -0.02 0.00 -1.15 0.00 0.00 33.47 29.50 3bv9 s TRP 207 CO 0.27 0.28 -0.25 0.71 0.02 0.00 0.00 176.95 177.98 3bv9 s TYR 208 N 0.08 2.23 -0.60 -1.98 2.02 0.08 -1.92 117.35 117.26 3bv9 s TYR 208 Ca 0.33 -0.43 -0.22 0.00 -0.37 0.00 0.00 57.07 56.38 3bv9 s TYR 208 Cb -0.18 -1.44 0.07 0.00 -0.40 0.00 0.00 41.96 40.01 3bv9 s TYR 208 CO 0.18 -0.05 0.85 -1.14 -1.57 0.00 0.00 175.55 173.82 3bv9 s GLN 209 N -0.56 3.14 0.10 -0.62 0.74 -0.14 -0.72 119.66 121.60 3bv9 s GLN 209 Ca 0.09 -0.82 0.14 0.00 0.05 0.00 0.00 55.36 54.82 3bv9 s GLN 209 Cb -0.10 -4.18 -0.12 0.00 1.10 0.00 0.00 33.01 29.71 3bv9 s GLN 209 CO -0.01 -1.59 0.99 0.52 -0.55 0.00 0.00 175.29 174.66 3bv9 h MET 210 N 9.34 0.00 -4.06 1.67 2.86 -1.46 -3.39 114.93 119.89 3bv9 h MET 210 Ca -0.28 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.16 3bv9 h MET 210 Cb 1.08 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.64 3bv9 h MET 210 CO 1.11 0.48 -0.25 0.20 1.06 0.00 0.00 176.91 179.50 3bv9 s GLY 211 N -4.77 1.16 -0.05 8.32 0.00 -0.73 -1.86 107.32 109.39 3bv9 s GLY 211 Ca -0.01 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.40 3bv9 s GLY 211 CO 0.80 -0.96 -0.14 -0.42 0.00 0.00 0.00 173.10 172.38 3bv9 s ILE 212 N -3.62 1.23 -0.03 0.90 1.01 -1.00 -1.39 121.20 118.31 3bv9 s ILE 212 Ca 0.30 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 3bv9 s ILE 212 Cb 0.01 -1.08 -0.08 0.00 0.01 0.00 0.00 42.46 41.31 3bv9 s ILE 212 CO 0.15 0.37 2.04 0.52 0.00 0.00 0.00 174.94 178.01 3bv9 n VAL 213 N 3.36 0.66 0.00 2.92 0.31 0.00 -0.80 118.33 124.79 3bv9 n VAL 213 Ca -0.19 -0.22 -0.02 0.00 -0.01 0.00 0.00 64.34 63.90 3bv9 n VAL 213 Cb 0.53 -2.36 -0.01 0.00 -0.91 0.00 0.00 33.84 31.09 3bv9 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3bv9 n SER 214 N 8.53 0.97 -3.94 4.52 2.88 -0.55 -0.79 113.62 125.25 3bv9 n SER 214 Ca 0.23 0.14 -0.09 0.00 -1.33 0.00 0.00 58.87 57.82 3bv9 n SER 214 Cb 0.41 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.44 3bv9 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3bv9 s TRP 215 N -1.91 0.24 0.10 0.66 1.48 -0.97 -4.92 118.94 113.62 3bv9 s TRP 215 Ca -0.07 -0.60 -0.27 0.00 -1.06 0.00 0.00 56.10 54.10 3bv9 s TRP 215 Cb 0.01 0.24 0.08 0.00 -1.16 0.00 0.00 33.47 32.64 3bv9 s TRP 215 CO 0.10 -0.97 1.07 0.20 -4.06 0.00 0.00 176.95 173.29 3bv9 s GLY 216 N -2.98 -0.28 -0.42 3.67 0.00 -1.26 -0.36 107.32 105.69 3bv9 s GLY 216 Ca 0.19 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.19 3bv9 s GLY 216 CO 0.06 0.14 0.19 -0.54 0.00 0.00 0.00 173.10 172.94 3bv9 s GLU 217 N -2.97 1.89 2.14 2.90 2.02 -1.26 -4.99 118.70 118.42 3bv9 s GLU 217 Ca 0.13 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 53.11 3bv9 s GLU 217 Cb 0.01 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 30.79 3bv9 s GLU 217 CO 0.00 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.65 3bv9 n GLY 219 N 4.18 -1.01 2.81 -1.39 0.00 -1.26 -4.82 105.19 103.72 3bv9 n GLY 219 Ca 0.02 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 3bv9 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bv9 n ASP 221 N 3.89 -4.79 -4.79 0.00 2.03 -1.26 -4.59 116.55 107.05 3bv9 n ASP 221 Ca -0.24 0.10 -0.36 0.00 0.52 0.00 0.00 54.79 54.81 3bv9 n ASP 221 Cb 0.53 -4.02 -0.06 0.00 -0.72 0.00 0.00 41.12 36.84 3bv9 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3bv9 s ARG 221 N -5.04 4.46 0.24 -0.67 0.52 -1.26 -4.90 118.95 112.30 3bv9 s ARG 221 Ca 0.00 1.32 -0.31 0.00 -0.52 0.00 0.00 55.73 56.23 3bv9 s ARG 221 Cb -0.00 -2.66 -0.11 0.00 0.52 0.00 0.00 34.95 32.71 3bv9 s ARG 221 CO 0.00 0.16 1.58 -0.51 0.02 0.00 0.00 175.30 176.55 3bv9 s ASP 222 N -1.70 6.48 0.00 0.23 1.01 -1.26 -1.98 116.67 119.45 3bv9 s ASP 222 Ca 0.53 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.60 3bv9 s ASP 222 Cb -0.17 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.14 3bv9 s ASP 222 CO 0.23 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.35 3bv9 n GLY 223 N 2.83 1.21 3.60 0.21 0.00 -1.26 -5.01 105.19 106.77 3bv9 n GLY 223 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3bv9 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bv9 s LYS 224 N -0.29 2.14 0.07 1.61 -0.14 -0.84 -4.74 119.74 117.55 3bv9 s LYS 224 Ca 0.00 -1.45 -0.00 0.00 -1.36 0.00 0.00 55.97 53.16 3bv9 s LYS 224 Cb 0.00 -2.09 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 3bv9 s LYS 224 CO 0.00 0.37 -0.04 0.71 -0.76 0.00 0.00 175.35 175.64 3bv9 s TYR 225 N -2.22 0.64 0.18 3.18 2.02 -1.26 -4.73 117.35 115.16 3bv9 s TYR 225 Ca 0.30 -1.03 -0.18 0.00 -0.37 0.00 0.00 57.07 55.79 3bv9 s TYR 225 Cb -0.07 -0.43 -0.08 0.00 -0.40 0.00 0.00 41.96 40.99 3bv9 s TYR 225 CO 0.18 -0.32 0.64 0.20 -1.57 0.00 0.00 175.55 174.68 3bv9 s GLY 226 N -2.96 2.56 -0.03 0.71 0.00 -0.92 -4.66 107.32 102.02 3bv9 s GLY 226 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.87 3bv9 s GLY 226 CO -0.08 0.37 -0.05 -1.36 0.00 0.00 0.00 173.10 171.98 3bv9 s PHE 227 N -1.47 2.96 0.02 1.90 0.40 0.52 -1.75 117.98 120.56 3bv9 s PHE 227 Ca 0.40 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.79 3bv9 s PHE 227 Cb -0.16 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 3bv9 s PHE 227 CO 0.20 0.38 -0.12 0.71 0.70 0.00 0.00 175.22 177.09 3bv9 s TYR 228 N -0.94 1.09 0.17 0.36 1.51 0.64 -1.48 117.35 118.70 3bv9 s TYR 228 Ca 0.16 -0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 55.63 3bv9 s TYR 228 Cb -0.11 -0.67 -0.09 0.00 -0.11 0.00 0.00 41.96 40.97 3bv9 s TYR 228 CO 0.06 0.00 1.48 0.99 -1.11 0.00 0.00 175.55 176.97 3bv9 s THR 229 N -0.59 2.86 -0.89 -0.71 2.01 0.02 -1.08 115.64 117.26 3bv9 s THR 229 Ca 0.02 0.64 -0.24 0.00 0.31 0.00 0.00 61.69 62.42 3bv9 s THR 229 Cb -0.06 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.08 3bv9 s THR 229 CO 0.00 0.06 1.36 -2.28 -0.69 0.00 0.00 174.62 173.07 3bv9 s HIS 230 N 0.85 2.45 0.18 4.92 2.46 0.79 -2.38 115.29 124.55 3bv9 s HIS 230 Ca 0.66 -0.53 -0.13 0.00 0.47 0.00 0.00 55.06 55.53 3bv9 s HIS 230 Cb -0.41 -4.65 0.16 0.00 -0.13 0.00 0.00 32.58 27.55 3bv9 s HIS 230 CO 0.34 -1.97 1.74 0.28 -2.47 0.00 0.00 174.74 172.65 3bv9 h VAL 231 N 6.43 0.82 -0.54 0.89 2.07 -1.68 -2.56 116.25 121.68 3bv9 h VAL 231 Ca -0.01 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3bv9 h VAL 231 Cb 1.03 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3bv9 h VAL 231 CO 1.35 0.06 0.36 0.15 0.02 0.00 0.00 177.57 179.51 3bv9 h PHE 232 N 0.31 0.66 0.00 1.57 3.57 -1.87 -0.72 116.94 120.47 3bv9 h PHE 232 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3bv9 h PHE 232 Cb 0.25 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3bv9 h PHE 232 CO -0.17 0.41 0.00 0.00 -2.23 0.00 0.00 178.31 176.32 3bv9 h ARG 233 N 0.71 0.00 -0.30 1.11 2.47 -1.82 -2.25 114.38 114.30 3bv9 h ARG 233 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3bv9 h ARG 233 Cb -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3bv9 h ARG 233 CO -0.05 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.76 3bv9 n LEU 234 N -2.78 3.36 -0.29 3.04 4.77 -0.33 -4.69 117.00 120.09 3bv9 n LEU 234 Ca 0.01 -2.46 0.05 0.00 -0.03 0.00 0.00 56.01 53.58 3bv9 n LEU 234 Cb 0.25 -0.37 0.27 0.00 -2.33 0.00 0.00 43.42 41.23 3bv9 n LEU 234 CO 0.23 0.70 1.24 0.50 -1.33 0.00 0.00 177.39 178.74 3bv9 h LYS 235 N 1.91 0.93 -0.30 3.23 1.63 -0.86 -2.28 116.57 120.83 3bv9 h LYS 235 Ca 0.00 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3bv9 h LYS 235 Cb 1.05 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.44 3bv9 h LYS 235 CO 0.10 0.62 0.11 -0.22 -3.45 0.00 0.00 179.45 176.61 3bv9 h LYS 236 N 0.96 0.24 -0.50 1.90 3.64 -1.83 -0.24 116.57 120.75 3bv9 h LYS 236 Ca 0.40 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 3bv9 h LYS 236 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3bv9 h LYS 236 CO -0.16 0.16 0.16 2.35 -2.27 0.00 0.00 179.45 179.69 3bv9 h TRP 237 N 0.25 0.81 -0.31 1.91 7.01 -1.81 -1.71 115.95 122.10 3bv9 h TRP 237 Ca 0.13 -0.08 0.04 0.00 2.11 0.00 0.00 58.89 61.10 3bv9 h TRP 237 Cb 0.09 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 26.88 3bv9 h TRP 237 CO -0.13 0.70 0.06 0.82 -2.79 0.00 0.00 178.44 177.10 3bv9 h ILE 238 N 0.68 0.85 -0.70 2.65 2.04 -0.95 -1.80 117.51 120.28 3bv9 h ILE 238 Ca 0.16 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3bv9 h ILE 238 Cb 0.27 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3bv9 h ILE 238 CO -0.01 0.03 0.45 1.56 0.00 0.00 0.00 178.15 180.19 3bv9 h GLN 239 N 0.17 0.88 -0.59 2.37 1.08 -0.90 -2.24 115.11 115.88 3bv9 h GLN 239 Ca 0.14 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.36 3bv9 h GLN 239 Cb 0.15 -0.20 -0.06 0.00 -0.05 0.00 0.00 27.48 27.33 3bv9 h GLN 239 CO -0.19 0.58 0.27 -0.22 -0.95 0.00 0.00 178.83 178.33 3bv9 h LYS 240 N 0.90 0.49 -0.12 1.46 3.64 -0.63 0.52 116.57 122.84 3bv9 h LYS 240 Ca 0.27 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3bv9 h LYS 240 Cb -0.04 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3bv9 h LYS 240 CO -0.08 0.32 0.03 0.28 -2.27 0.00 0.00 179.45 177.73 3bv9 h VAL 241 N 0.51 1.18 -0.41 2.00 2.07 -0.95 0.39 116.25 121.04 3bv9 h VAL 241 Ca 0.28 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3bv9 h VAL 241 Cb 0.25 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3bv9 h VAL 241 CO -0.22 0.17 0.17 0.40 0.02 0.00 0.00 177.57 178.10 3bv9 h ILE 242 N 0.00 1.20 -0.44 4.57 2.04 -1.10 0.23 117.51 124.00 3bv9 h ILE 242 Ca 0.04 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 3bv9 h ILE 242 Cb 0.23 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3bv9 h ILE 242 CO -0.00 0.22 -0.01 0.44 0.00 0.00 0.00 178.15 178.80 3bv9 h ASP 243 N 0.52 0.78 0.76 1.72 3.32 -0.81 -1.16 116.42 121.55 3bv9 h ASP 243 Ca 0.14 -0.31 -0.16 0.00 0.02 0.00 0.00 57.03 56.71 3bv9 h ASP 243 Cb 0.19 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3bv9 h ASP 243 CO -0.01 0.90 -0.78 -0.61 -1.72 0.00 0.00 179.24 177.02 3bv9 h GLN 244 N 0.63 0.01 -0.09 3.56 4.15 -0.10 -3.37 115.11 119.91 3bv9 h GLN 244 Ca 0.12 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3bv9 h GLN 244 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3bv9 h GLN 244 CO 0.02 0.78 0.00 1.19 -1.93 0.00 0.00 178.83 178.90 3bv9 n PHE 245 N -3.62 0.12 0.00 3.99 3.01 0.80 -5.06 117.46 116.70 3bv9 n PHE 245 Ca -0.01 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.16 3bv9 n PHE 245 Cb 0.75 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 3bv9 n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bv9 n GLY 246 N 0.09 -0.46 1.39 1.37 0.00 -0.44 -5.02 105.19 102.12 3bv9 n GLY 246 Ca 0.04 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3bv9 n GLY 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48