#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bk3 s LYS 4 N 0.00 3.63 0.34 1.20 -0.14 -1.26 0.44 119.74 123.95 2bk3 s LYS 4 Ca 0.00 -0.25 -0.09 0.00 -1.36 0.00 0.00 55.97 54.27 2bk3 s LYS 4 Cb 0.00 -3.17 0.02 0.00 -1.68 0.00 0.00 37.83 33.00 2bk3 s LYS 4 CO 0.00 0.55 0.59 0.00 -0.76 0.00 0.00 175.35 175.73 2bk3 h ASP 6 N 2.09 0.03 -3.55 0.00 3.32 -1.05 -3.31 116.42 113.95 2bk3 h ASP 6 Ca -0.29 -0.81 -0.35 0.00 0.02 0.00 0.00 57.03 55.61 2bk3 h ASP 6 Cb 1.25 -0.01 -0.33 0.00 0.22 0.00 0.00 39.33 40.46 2bk3 h ASP 6 CO 0.38 0.84 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.30 2bk3 s VAL 7 N -2.99 0.27 -0.19 -1.35 1.01 -0.98 -1.59 120.40 114.59 2bk3 s VAL 7 Ca -0.18 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 2bk3 s VAL 7 Cb -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 2bk3 s VAL 7 CO 0.69 0.15 0.28 -0.69 0.00 0.00 0.00 175.10 175.53 2bk3 s VAL 8 N 0.79 5.30 -0.23 2.92 1.01 -0.92 -1.92 120.40 127.34 2bk3 s VAL 8 Ca -0.09 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 2bk3 s VAL 8 Cb -0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2bk3 s VAL 8 CO -0.01 0.35 0.09 -0.69 0.00 0.00 0.00 175.10 174.84 2bk3 s VAL 9 N 0.79 4.66 -0.38 2.92 1.01 0.33 -0.97 120.40 128.76 2bk3 s VAL 9 Ca 0.14 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 2bk3 s VAL 9 Cb -0.13 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.09 2bk3 s VAL 9 CO 0.04 0.36 0.50 -0.69 0.00 0.00 0.00 175.10 175.31 2bk3 s VAL 10 N 1.25 5.02 0.00 2.92 1.01 0.60 -0.98 120.40 130.22 2bk3 s VAL 10 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2bk3 s VAL 10 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2bk3 s VAL 10 CO 0.04 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.43 2bk3 n GLY 11 N 4.94 1.88 2.28 4.51 0.00 -0.36 -0.54 105.19 117.91 2bk3 n GLY 11 Ca -0.05 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2bk3 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 12 N 2.48 6.07 1.54 -0.02 0.00 -1.26 -4.12 105.19 109.88 2bk3 n GLY 12 Ca 0.00 -2.52 -0.12 0.00 0.00 0.00 0.00 46.02 43.39 2bk3 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 13 N -0.75 -1.11 0.36 -0.02 0.00 -1.26 -1.26 105.19 101.15 2bk3 n GLY 13 Ca 0.52 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.91 2bk3 n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bk3 h ILE 14 N -1.24 0.90 -0.07 -0.61 2.04 -1.94 -1.00 117.51 115.59 2bk3 h ILE 14 Ca -0.17 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2bk3 h ILE 14 Cb 0.47 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2bk3 h ILE 14 CO 0.12 0.18 0.01 -1.28 0.00 0.00 0.00 178.15 177.18 2bk3 h SER 15 N 0.97 0.12 -0.73 1.72 0.87 -1.91 0.71 113.55 115.31 2bk3 h SER 15 Ca 0.50 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 2bk3 h SER 15 Cb 0.53 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2bk3 h SER 15 CO -0.27 0.34 0.22 1.23 -0.53 0.00 0.00 176.83 177.82 2bk3 h GLY 16 N -0.11 1.22 1.00 5.77 0.00 -1.67 -1.54 103.07 107.74 2bk3 h GLY 16 Ca 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 47.33 46.49 2bk3 h GLY 16 CO 0.00 0.69 -0.29 -0.33 0.00 0.00 0.00 176.54 176.61 2bk3 h MET 17 N 1.08 0.76 -0.66 4.80 2.07 -1.09 -0.01 114.93 121.87 2bk3 h MET 17 Ca 0.23 -0.39 0.02 0.00 -2.07 0.00 0.00 59.70 57.49 2bk3 h MET 17 Cb 0.32 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.02 2bk3 h MET 17 CO -0.01 1.01 0.43 0.00 1.07 0.00 0.00 176.91 179.41 2bk3 h ALA 18 N 0.73 0.86 -0.17 6.32 0.00 -0.80 -0.64 119.26 125.55 2bk3 h ALA 18 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bk3 h ALA 18 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bk3 h ALA 18 CO 0.07 0.22 0.09 0.00 0.00 0.00 0.00 179.25 179.63 2bk3 h ALA 19 N 1.26 0.22 -0.84 0.00 0.00 -1.09 -2.05 119.26 116.77 2bk3 h ALA 19 Ca 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2bk3 h ALA 19 Cb -0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2bk3 h ALA 19 CO -0.08 -0.23 0.38 0.00 0.00 0.00 0.00 179.25 179.32 2bk3 h ALA 20 N 0.96 1.08 -0.44 0.00 0.00 -0.86 -1.79 119.26 118.22 2bk3 h ALA 20 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2bk3 h ALA 20 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2bk3 h ALA 20 CO -0.01 0.67 0.06 -0.22 0.00 0.00 0.00 179.25 179.76 2bk3 h LYS 21 N 1.20 0.73 -0.13 0.00 3.64 -0.99 0.70 116.57 121.71 2bk3 h LYS 21 Ca 0.28 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2bk3 h LYS 21 Cb 0.15 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2bk3 h LYS 21 CO -0.03 0.76 0.05 1.25 -2.27 0.00 0.00 179.45 179.21 2bk3 h LEU 22 N 0.58 0.06 -0.80 5.20 6.46 -1.09 -0.39 115.31 125.34 2bk3 h LEU 22 Ca 0.13 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2bk3 h LEU 22 Cb 0.39 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 2bk3 h LEU 22 CO 0.01 0.06 0.36 -0.07 -0.62 0.00 0.00 178.44 178.17 2bk3 h LEU 23 N 0.12 1.07 -0.31 2.25 3.38 -1.17 -1.61 115.31 119.04 2bk3 h LEU 23 Ca 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2bk3 h LEU 23 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2bk3 h LEU 23 CO -0.05 0.93 0.08 -0.74 0.09 0.00 0.00 178.44 178.75 2bk3 h HIS 24 N 1.15 0.52 0.00 1.13 2.76 -0.69 -2.11 115.15 117.90 2bk3 h HIS 24 Ca 0.27 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 2bk3 h HIS 24 Cb 0.16 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2bk3 h HIS 24 CO 0.02 0.54 -0.14 -0.44 -1.30 0.00 0.00 177.93 176.61 2bk3 h ASP 25 N 0.34 0.00 0.50 3.26 3.32 -0.89 -1.80 116.42 121.15 2bk3 h ASP 25 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2bk3 h ASP 25 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2bk3 h ASP 25 CO -0.00 0.14 0.00 -1.20 -1.72 0.00 0.00 179.24 176.46 2bk3 n SER 26 N -4.33 0.00 0.00 6.45 7.64 -0.62 -4.91 113.62 117.85 2bk3 n SER 26 Ca -0.03 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2bk3 n SER 26 Cb 0.21 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2bk3 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bk3 n GLY 27 N 1.05 0.83 3.90 0.23 0.00 -0.68 -5.08 105.19 105.44 2bk3 n GLY 27 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2bk3 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bk3 s LEU 28 N 0.00 3.94 -0.38 0.99 1.43 -0.83 -5.02 118.68 118.82 2bk3 s LEU 28 Ca 0.00 0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 53.72 2bk3 s LEU 28 Cb 0.00 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.54 2bk3 s LEU 28 CO 0.00 -0.30 0.67 0.20 0.23 0.00 0.00 176.35 177.15 2bk3 s ASN 29 N -3.33 6.43 0.10 2.29 0.01 -1.26 -4.27 114.94 114.90 2bk3 s ASN 29 Ca 0.46 0.08 0.09 0.00 -0.71 0.00 0.00 52.86 52.79 2bk3 s ASN 29 Cb -0.10 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 2bk3 s ASN 29 CO 0.32 -0.67 -0.22 0.68 -1.51 0.00 0.00 177.10 175.71 2bk3 s VAL 30 N 2.83 2.58 -0.03 1.60 -7.23 -1.26 -0.45 120.40 118.43 2bk3 s VAL 30 Ca 0.26 -1.50 0.04 0.00 -1.81 0.00 0.00 61.98 58.96 2bk3 s VAL 30 Cb -0.14 -2.13 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 2bk3 s VAL 30 CO 0.16 0.17 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.29 2bk3 s VAL 31 N -1.04 1.22 -0.22 1.32 1.01 -0.81 -4.81 120.40 117.07 2bk3 s VAL 31 Ca 0.15 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2bk3 s VAL 31 Cb -0.10 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2bk3 s VAL 31 CO 0.07 0.36 0.01 -0.69 0.00 0.00 0.00 175.10 174.84 2bk3 s VAL 32 N 0.02 3.86 -0.38 2.92 1.01 0.03 -0.52 120.40 127.35 2bk3 s VAL 32 Ca -0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2bk3 s VAL 32 Cb -0.10 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.54 2bk3 s VAL 32 CO 0.01 0.40 0.21 -0.76 0.00 0.00 0.00 175.10 174.97 2bk3 s LEU 33 N 1.34 4.75 -0.16 3.92 1.43 -0.15 -0.26 118.68 129.54 2bk3 s LEU 33 Ca 0.04 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.13 2bk3 s LEU 33 Cb -0.15 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2bk3 s LEU 33 CO 0.01 -0.39 -0.11 -0.70 0.23 0.00 0.00 176.35 175.39 2bk3 s GLU 34 N 1.56 3.36 0.27 1.70 2.56 -0.30 -1.22 118.70 126.62 2bk3 s GLU 34 Ca 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 54.97 54.28 2bk3 s GLU 34 Cb -0.19 -2.76 0.35 0.00 2.00 0.00 0.00 34.13 33.53 2bk3 s GLU 34 CO 0.07 0.04 1.90 0.00 -0.56 0.00 0.00 175.26 176.71 2bk3 h ALA 35 N 7.28 1.28 -2.09 6.30 0.00 -1.85 0.17 119.26 130.34 2bk3 h ALA 35 Ca -0.33 -0.12 -0.45 0.00 0.00 0.00 0.00 54.91 54.01 2bk3 h ALA 35 Cb 1.19 -0.32 0.08 0.00 0.00 0.00 0.00 17.79 18.74 2bk3 h ALA 35 CO 0.58 0.59 0.19 1.03 0.00 0.00 0.00 179.25 181.64 2bk3 s ARG 36 N -5.73 2.07 0.00 0.00 0.52 -1.26 -3.77 118.95 110.78 2bk3 s ARG 36 Ca -0.12 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 2bk3 s ARG 36 Cb 0.17 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.43 2bk3 s ARG 36 CO 0.81 -1.27 0.86 -0.40 0.02 0.00 0.00 175.30 175.31 2bk3 n ASP 37 N -2.89 0.23 -3.76 0.23 5.68 -1.26 -0.70 116.55 114.08 2bk3 n ASP 37 Ca 0.09 -1.94 -0.11 0.00 -0.50 0.00 0.00 54.79 52.34 2bk3 n ASP 37 Cb 0.60 -0.11 -0.07 0.00 -1.14 0.00 0.00 41.12 40.40 2bk3 n ASP 37 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bk3 s ARG 38 N -1.77 0.87 0.56 0.11 1.70 -1.26 -4.93 118.95 114.23 2bk3 s ARG 38 Ca 0.00 -0.66 -0.00 0.00 -0.47 0.00 0.00 55.73 54.60 2bk3 s ARG 38 Cb 0.00 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.78 2bk3 s ARG 38 CO 0.00 -0.29 0.80 0.14 -1.08 0.00 0.00 175.30 174.87 2bk3 s VAL 39 N -3.12 2.80 0.00 4.99 -7.23 -1.26 -4.75 120.40 111.83 2bk3 s VAL 39 Ca -0.01 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2bk3 s VAL 39 Cb 0.01 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.88 2bk3 s VAL 39 CO -0.07 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2bk3 n GLY 40 N -2.40 1.03 7.00 2.32 0.00 -0.39 -4.89 105.19 107.86 2bk3 n GLY 40 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2bk3 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 41 N -0.02 2.83 0.00 -0.02 0.00 -1.26 -1.00 105.19 105.73 2bk3 n GLY 41 Ca 0.00 0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.43 2bk3 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk3 n ARG 42 N 6.96 0.59 -3.85 1.61 1.74 -1.26 -4.55 116.66 117.90 2bk3 n ARG 42 Ca 0.00 0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 2bk3 n ARG 42 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 2bk3 n ARG 42 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2bk3 s THR 43 N -2.34 5.46 -0.26 0.55 -4.23 -0.17 -1.42 115.64 113.24 2bk3 s THR 43 Ca 0.33 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 2bk3 s THR 43 Cb 0.19 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.73 2bk3 s THR 43 CO 0.38 0.59 0.49 -0.47 -0.54 0.00 0.00 174.62 175.08 2bk3 s TYR 44 N -1.06 -1.12 -0.37 3.99 5.04 -1.26 -4.54 117.35 118.04 2bk3 s TYR 44 Ca 0.17 1.51 -0.12 0.00 -2.44 0.00 0.00 57.07 56.19 2bk3 s TYR 44 Cb -0.12 0.38 0.02 0.00 0.35 0.00 0.00 41.96 42.58 2bk3 s TYR 44 CO 0.06 -0.69 0.22 0.99 -1.34 0.00 0.00 175.55 174.79 2bk3 s THR 45 N 2.71 4.78 -0.01 4.34 2.01 -1.26 -1.10 115.64 127.10 2bk3 s THR 45 Ca 0.08 -0.69 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 2bk3 s THR 45 Cb -0.14 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2bk3 s THR 45 CO -0.17 -0.18 0.80 -0.22 -0.69 0.00 0.00 174.62 174.16 2bk3 s LEU 46 N 1.60 4.38 -0.14 4.42 2.96 -0.19 -4.87 118.68 126.85 2bk3 s LEU 46 Ca 0.03 1.41 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 2bk3 s LEU 46 Cb -0.19 -3.27 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 2bk3 s LEU 46 CO 0.08 -0.11 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.69 2bk3 s ARG 47 N 0.58 3.20 0.33 1.98 3.00 -1.26 -0.61 118.95 126.17 2bk3 s ARG 47 Ca 0.42 -0.77 -0.12 0.00 0.00 0.00 0.00 55.73 55.26 2bk3 s ARG 47 Cb -0.20 -2.54 0.02 0.00 0.00 0.00 0.00 34.95 32.23 2bk3 s ARG 47 CO 0.23 0.10 0.61 0.54 0.00 0.00 0.00 175.30 176.78 2bk3 s ASN 48 N 0.60 0.22 0.35 0.23 2.20 -1.20 -5.02 114.94 112.33 2bk3 s ASN 48 Ca -0.10 -1.13 0.15 0.00 -0.94 0.00 0.00 52.86 50.84 2bk3 s ASN 48 Cb -0.16 0.72 0.64 0.00 -2.00 0.00 0.00 41.25 40.45 2bk3 s ASN 48 CO 0.03 -1.40 1.74 1.56 -2.94 0.00 0.00 177.10 176.09 2bk3 h GLN 49 N 2.09 0.00 -0.01 3.55 1.08 -2.00 -0.20 115.11 119.63 2bk3 h GLN 49 Ca -0.28 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.76 2bk3 h GLN 49 Cb 1.25 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 2bk3 h GLN 49 CO 0.37 0.43 -0.76 0.87 -0.95 0.00 0.00 178.83 178.79 2bk3 h LYS 50 N 0.00 0.10 0.00 1.46 1.79 -2.02 -3.34 116.57 114.55 2bk3 h LYS 50 Ca -0.00 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2bk3 h LYS 50 Cb 0.86 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2bk3 h LYS 50 CO 0.06 0.81 -0.88 1.33 -1.08 0.00 0.00 179.45 179.68 2bk3 n VAL 51 N -3.69 0.00 0.00 0.50 0.24 -1.20 -4.99 118.33 109.19 2bk3 n VAL 51 Ca -0.02 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2bk3 n VAL 51 Cb 0.73 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 2bk3 n VAL 51 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2bk3 n LYS 52 N -1.49 0.00 -3.83 7.34 4.81 -0.09 -4.62 118.16 120.28 2bk3 n LYS 52 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2bk3 n LYS 52 Cb 0.18 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.14 2bk3 n LYS 52 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2bk3 s TYR 53 N 0.00 -0.04 -0.14 5.64 -0.85 -1.26 -3.22 117.35 117.48 2bk3 s TYR 53 Ca 0.00 0.01 -0.09 0.00 -0.52 0.00 0.00 57.07 56.46 2bk3 s TYR 53 Cb 0.00 0.01 0.05 0.00 0.38 0.00 0.00 41.96 42.39 2bk3 s TYR 53 CO 0.00 -0.33 0.35 0.54 -1.52 0.00 0.00 175.55 174.59 2bk3 s VAL 54 N -1.42 -0.02 -0.16 -3.49 0.11 0.22 -4.98 120.40 110.66 2bk3 s VAL 54 Ca -0.14 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 2bk3 s VAL 54 Cb -0.06 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2bk3 s VAL 54 CO 0.02 0.03 1.16 -1.81 -3.33 0.00 0.00 175.10 171.17 2bk3 s ASP 55 N 0.91 7.04 -0.01 3.54 1.01 -1.26 -1.02 116.67 126.88 2bk3 s ASP 55 Ca -0.06 1.60 0.19 0.00 0.71 0.00 0.00 52.55 55.00 2bk3 s ASP 55 Cb -0.07 -2.54 -0.23 0.00 1.01 0.00 0.00 42.92 41.09 2bk3 s ASP 55 CO -0.07 -0.67 0.74 0.18 0.21 0.00 0.00 175.17 175.56 2bk3 n LEU 56 N 6.10 0.72 0.00 1.23 4.77 -0.26 -4.95 117.00 124.61 2bk3 n LEU 56 Ca 0.12 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2bk3 n LEU 56 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2bk3 n LEU 56 CO 0.54 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2bk3 n GLY 57 N 1.44 4.49 3.72 -0.72 0.00 -1.24 -4.75 105.19 108.13 2bk3 n GLY 57 Ca 0.02 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2bk3 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 58 N 5.00 0.78 1.50 -0.02 0.00 -0.50 -4.85 105.19 107.09 2bk3 n GLY 58 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2bk3 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bk3 n SER 59 N 0.77 0.00 -4.78 1.61 2.88 -1.26 -4.66 113.62 108.18 2bk3 n SER 59 Ca 0.04 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.20 2bk3 n SER 59 Cb 0.37 0.06 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 2bk3 n SER 59 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2bk3 s TYR 60 N -1.75 3.85 0.14 0.66 1.51 -1.26 -4.26 117.35 116.23 2bk3 s TYR 60 Ca 0.00 1.70 0.03 0.00 -1.01 0.00 0.00 57.07 57.78 2bk3 s TYR 60 Cb 0.00 -2.83 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 2bk3 s TYR 60 CO 0.00 0.42 -0.06 0.14 -1.11 0.00 0.00 175.55 174.94 2bk3 s VAL 61 N -1.30 0.84 0.29 0.71 -7.23 -0.28 -4.89 120.40 108.53 2bk3 s VAL 61 Ca 0.41 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.44 2bk3 s VAL 61 Cb -0.22 -1.86 0.06 0.00 0.56 0.00 0.00 36.38 34.91 2bk3 s VAL 61 CO 0.26 -0.72 0.77 0.61 -0.31 0.00 0.00 175.10 175.71 2bk3 n GLY 62 N -0.15 0.97 3.63 2.32 0.00 -1.25 -0.85 105.19 109.86 2bk3 n GLY 62 Ca -0.10 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2bk3 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bk3 n PRO 63 N -0.52 1.45 -0.21 1.61 -0.04 -1.25 -1.92 135.00 134.11 2bk3 n PRO 63 Ca -0.06 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2bk3 n PRO 63 Cb 0.52 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 2bk3 n PRO 63 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bk3 n THR 64 N -0.47 0.00 -2.36 0.52 -2.24 -1.26 -4.77 114.28 103.70 2bk3 n THR 64 Ca 0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 2bk3 n THR 64 Cb 0.39 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2bk3 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk3 n GLN 65 N -2.00 4.41 0.18 -0.78 6.02 -0.81 -4.80 117.38 119.60 2bk3 n GLN 65 Ca 0.00 -3.84 0.06 0.00 -0.01 0.00 0.00 57.00 53.21 2bk3 n GLN 65 Cb 0.00 -2.68 0.20 0.00 1.02 0.00 0.00 30.24 28.79 2bk3 n GLN 65 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2bk3 h ASN 66 N 5.03 0.00 -0.01 1.08 2.35 -1.90 -2.98 115.58 119.15 2bk3 h ASN 66 Ca 0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.25 2bk3 h ASN 66 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2bk3 h ASN 66 CO 1.46 0.36 -0.02 0.03 -1.65 0.00 0.00 177.43 177.62 2bk3 h ARG 67 N 0.00 0.03 -0.53 0.81 3.08 -1.90 -0.99 114.38 114.87 2bk3 h ARG 67 Ca -0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2bk3 h ARG 67 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 2bk3 h ARG 67 CO 0.05 0.57 0.14 0.97 -1.07 0.00 0.00 179.97 180.63 2bk3 h ILE 68 N -0.52 1.22 -0.57 2.04 6.09 -1.84 -0.82 117.51 123.12 2bk3 h ILE 68 Ca 0.00 -0.77 -0.09 0.00 -1.37 0.00 0.00 64.86 62.63 2bk3 h ILE 68 Cb 0.57 0.66 -0.02 0.00 0.47 0.00 0.00 36.82 38.50 2bk3 h ILE 68 CO 0.00 0.29 0.02 -0.07 -3.07 0.00 0.00 178.15 175.32 2bk3 h LEU 69 N 0.78 0.97 -0.21 2.19 3.38 -1.51 -0.69 115.31 120.21 2bk3 h LEU 69 Ca 0.17 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2bk3 h LEU 69 Cb 0.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bk3 h LEU 69 CO -0.00 1.03 -0.22 -0.09 0.09 0.00 0.00 178.44 179.24 2bk3 h ARG 70 N 0.88 0.53 -0.54 1.13 1.12 -0.99 -1.73 114.38 114.78 2bk3 h ARG 70 Ca 0.16 -0.28 -0.01 0.00 -1.11 0.00 0.00 59.98 58.74 2bk3 h ARG 70 Cb 0.52 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.47 2bk3 h ARG 70 CO 0.03 0.86 0.29 1.25 -3.11 0.00 0.00 179.97 179.29 2bk3 h LEU 71 N 0.21 0.68 -0.58 3.80 5.85 -1.06 -1.41 115.31 122.79 2bk3 h LEU 71 Ca 0.03 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 2bk3 h LEU 71 Cb 0.77 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2bk3 h LEU 71 CO 0.05 0.58 -0.31 0.00 -0.34 0.00 0.00 178.44 178.43 2bk3 h ALA 72 N 1.12 0.76 -0.60 1.25 0.00 -1.13 -2.48 119.26 118.18 2bk3 h ALA 72 Ca 0.19 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2bk3 h ALA 72 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2bk3 h ALA 72 CO -0.03 0.65 0.25 -0.22 0.00 0.00 0.00 179.25 179.91 2bk3 h LYS 73 N 0.68 0.89 -0.45 0.00 3.64 -1.11 -0.87 116.57 119.35 2bk3 h LYS 73 Ca 0.07 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2bk3 h LYS 73 Cb 0.85 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2bk3 h LYS 73 CO 0.07 0.75 0.30 1.49 -2.27 0.00 0.00 179.45 179.80 2bk3 h GLU 74 N 0.83 0.47 -0.00 1.90 4.81 -1.10 -0.98 114.58 120.50 2bk3 h GLU 74 Ca 0.20 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2bk3 h GLU 74 Cb 0.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2bk3 h GLU 74 CO -0.02 0.31 -0.01 1.28 -0.73 0.00 0.00 179.01 179.84 2bk3 n LEU 75 N -4.48 0.16 0.00 1.64 4.77 -0.83 -4.90 117.00 113.35 2bk3 n LEU 75 Ca 0.05 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2bk3 n LEU 75 Cb 0.16 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2bk3 n LEU 75 CO 0.35 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2bk3 n GLY 76 N 1.12 0.73 3.89 -0.72 0.00 -0.37 -5.07 105.19 104.77 2bk3 n GLY 76 Ca 0.20 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2bk3 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bk3 s LEU 77 N 0.00 4.01 0.22 0.99 1.43 -0.39 -5.01 118.68 119.92 2bk3 s LEU 77 Ca 0.00 0.89 0.11 0.00 -1.03 0.00 0.00 54.13 54.10 2bk3 s LEU 77 Cb 0.00 -3.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2bk3 s LEU 77 CO 0.00 -0.24 -0.21 -1.61 0.23 0.00 0.00 176.35 174.52 2bk3 s GLU 78 N -3.51 1.52 0.32 1.70 2.02 -1.26 -4.32 118.70 115.16 2bk3 s GLU 78 Ca 0.47 -1.59 0.08 0.00 0.02 0.00 0.00 54.97 53.95 2bk3 s GLU 78 Cb -0.11 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 2bk3 s GLU 78 CO 0.29 0.34 0.21 0.95 0.02 0.00 0.00 175.26 177.07 2bk3 s THR 79 N -2.09 3.53 0.07 3.63 -4.23 -1.26 -0.96 115.64 114.32 2bk3 s THR 79 Ca 0.23 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 2bk3 s THR 79 Cb -0.06 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 2bk3 s THR 79 CO 0.11 -0.22 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.21 2bk3 s TYR 80 N -2.31 0.65 -0.04 3.99 -0.85 -0.36 -4.78 117.35 113.64 2bk3 s TYR 80 Ca 0.38 -1.00 -0.26 0.00 -0.52 0.00 0.00 57.07 55.67 2bk3 s TYR 80 Cb -0.05 -0.43 -0.03 0.00 0.38 0.00 0.00 41.96 41.82 2bk3 s TYR 80 CO 0.25 -0.29 0.83 0.15 -1.52 0.00 0.00 175.55 174.97 2bk3 s LYS 81 N -3.81 4.48 0.33 -3.49 1.02 -1.26 -1.69 119.74 115.32 2bk3 s LYS 81 Ca 0.08 1.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.91 2bk3 s LYS 81 Cb 0.06 -3.46 -0.11 0.00 -0.52 0.00 0.00 37.83 33.81 2bk3 s LYS 81 CO -0.08 -0.01 1.49 0.08 -0.92 0.00 0.00 175.35 175.92 2bk3 s VAL 82 N 0.96 2.19 -0.10 3.17 1.01 0.16 -4.91 120.40 122.89 2bk3 s VAL 82 Ca 0.44 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 2bk3 s VAL 82 Cb -0.19 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 2bk3 s VAL 82 CO 0.22 0.04 1.91 0.21 0.00 0.00 0.00 175.10 177.48 2bk3 s ASN 83 N 0.05 6.20 -0.02 3.32 2.47 -1.26 -4.84 114.94 120.87 2bk3 s ASN 83 Ca 0.56 2.16 0.25 0.00 0.42 0.00 0.00 52.86 56.25 2bk3 s ASN 83 Cb -0.46 -2.53 0.42 0.00 -1.45 0.00 0.00 41.25 37.24 2bk3 s ASN 83 CO 0.56 -1.32 1.16 1.21 -3.72 0.00 0.00 177.10 174.99 2bk3 n GLU 84 N 7.83 0.10 -0.04 0.43 2.13 -1.26 -4.71 120.64 125.13 2bk3 n GLU 84 Ca 0.22 -2.06 -0.15 0.00 0.66 0.00 0.00 57.16 55.83 2bk3 n GLU 84 Cb 0.43 -0.08 -0.08 0.00 0.27 0.00 0.00 31.44 31.99 2bk3 n GLU 84 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bk3 h VAL 85 N 6.86 1.35 -3.27 6.31 2.07 -1.92 -3.46 116.25 124.19 2bk3 h VAL 85 Ca -0.23 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2bk3 h VAL 85 Cb 1.85 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 2bk3 h VAL 85 CO 0.09 0.52 0.00 -0.62 0.02 0.00 0.00 177.57 177.59 2bk3 n GLU 86 N -4.26 1.03 -2.78 1.57 4.71 -1.26 -5.00 120.64 114.66 2bk3 n GLU 86 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.72 2bk3 n GLU 86 Cb 0.56 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.93 2bk3 n GLU 86 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2bk3 s ARG 87 N -1.47 4.46 0.63 3.49 0.52 -0.47 -4.18 118.95 121.92 2bk3 s ARG 87 Ca 0.00 1.28 -0.09 0.00 -0.52 0.00 0.00 55.73 56.40 2bk3 s ARG 87 Cb 0.00 -2.60 -0.00 0.00 0.52 0.00 0.00 34.95 32.86 2bk3 s ARG 87 CO 0.00 0.17 0.98 -0.51 0.02 0.00 0.00 175.30 175.96 2bk3 s LEU 88 N -2.41 3.15 -0.08 2.53 1.02 -0.14 -0.46 118.68 122.28 2bk3 s LEU 88 Ca 0.54 1.00 0.03 0.00 0.02 0.00 0.00 54.13 55.72 2bk3 s LEU 88 Cb -0.16 -3.87 0.01 0.00 0.02 0.00 0.00 46.19 42.19 2bk3 s LEU 88 CO 0.21 -1.09 -0.16 -0.63 0.02 0.00 0.00 176.35 174.70 2bk3 s ILE 89 N -3.13 1.42 -0.26 -0.59 1.01 -0.64 -0.83 121.20 118.18 2bk3 s ILE 89 Ca 0.55 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2bk3 s ILE 89 Cb -0.11 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2bk3 s ILE 89 CO 0.49 0.42 0.11 -2.28 0.00 0.00 0.00 174.94 173.68 2bk3 s HIS 90 N 0.55 3.13 -0.30 3.97 5.65 -0.70 -0.43 115.29 127.15 2bk3 s HIS 90 Ca -0.16 -0.32 -0.08 0.00 0.25 0.00 0.00 55.06 54.76 2bk3 s HIS 90 Cb -0.16 -2.29 0.01 0.00 -1.18 0.00 0.00 32.58 28.96 2bk3 s HIS 90 CO 0.05 -0.33 0.10 -1.58 -0.65 0.00 0.00 174.74 172.34 2bk3 s HIS 91 N 1.65 3.16 -0.03 3.88 2.46 0.17 -0.24 115.29 126.35 2bk3 s HIS 91 Ca 0.06 -0.91 0.01 0.00 0.47 0.00 0.00 55.06 54.69 2bk3 s HIS 91 Cb -0.16 -2.29 0.01 0.00 -0.13 0.00 0.00 32.58 30.02 2bk3 s HIS 91 CO 0.06 -0.56 -0.04 0.54 -2.47 0.00 0.00 174.74 172.27 2bk3 s VAL 92 N 1.52 0.40 -1.50 0.89 0.11 -0.35 -1.24 120.40 120.23 2bk3 s VAL 92 Ca 0.03 -0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 58.88 2bk3 s VAL 92 Cb -0.17 -0.41 0.07 0.00 -1.53 0.00 0.00 36.38 34.33 2bk3 s VAL 92 CO 0.03 0.17 0.75 0.29 -3.33 0.00 0.00 175.10 173.01 2bk3 n LYS 93 N 3.68 -4.36 -1.00 1.54 5.02 -1.26 -2.01 118.16 119.78 2bk3 n LYS 93 Ca -0.22 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2bk3 n LYS 93 Cb 0.53 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.42 2bk3 n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bk3 n GLY 94 N -1.67 0.51 3.11 0.72 0.00 -1.26 -5.03 105.19 101.56 2bk3 n GLY 94 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 2bk3 n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bk3 s LYS 95 N -0.14 0.80 -0.13 1.61 2.20 -0.85 -5.07 119.74 118.15 2bk3 s LYS 95 Ca 0.00 -0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 54.80 2bk3 s LYS 95 Cb 0.00 -0.76 -0.05 0.00 -1.51 0.00 0.00 37.83 35.51 2bk3 s LYS 95 CO 0.00 0.18 0.23 -1.12 -0.36 0.00 0.00 175.35 174.29 2bk3 s SER 96 N -1.12 6.43 -0.31 1.43 0.01 -1.26 -1.21 113.70 117.68 2bk3 s SER 96 Ca -0.01 0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.78 2bk3 s SER 96 Cb -0.08 -2.14 0.09 0.00 0.21 0.00 0.00 66.02 64.10 2bk3 s SER 96 CO 0.01 0.23 0.03 -0.31 0.41 0.00 0.00 173.24 173.61 2bk3 s TYR 97 N -0.19 2.96 0.59 2.43 1.51 0.66 -4.98 117.35 120.35 2bk3 s TYR 97 Ca 0.15 -2.41 -0.18 0.00 -1.01 0.00 0.00 57.07 53.62 2bk3 s TYR 97 Cb -0.13 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 2bk3 s TYR 97 CO 0.04 -0.89 1.19 -2.14 -1.11 0.00 0.00 175.55 172.64 2bk3 s PRO 98 N 1.19 2.99 0.24 -1.71 0.02 -1.26 -1.73 135.00 134.74 2bk3 s PRO 98 Ca 0.06 1.77 -0.22 0.00 0.02 0.00 0.00 61.00 62.62 2bk3 s PRO 98 Cb -0.19 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.43 2bk3 s PRO 98 CO -0.12 -1.18 0.78 -0.59 -0.33 0.00 0.00 177.00 175.56 2bk3 s PHE 99 N -1.68 -0.19 0.21 6.54 -0.12 -0.01 -4.91 117.98 117.82 2bk3 s PHE 99 Ca 0.76 -0.22 0.08 0.00 -0.05 0.00 0.00 56.93 57.49 2bk3 s PHE 99 Cb -0.29 0.69 -0.05 0.00 -0.63 0.00 0.00 43.02 42.74 2bk3 s PHE 99 CO 0.33 -1.12 -0.14 1.03 -0.05 0.00 0.00 175.22 175.27 2bk3 s ARG 100 N -3.75 1.34 0.00 1.99 0.52 -1.26 -0.97 118.95 116.82 2bk3 s ARG 100 Ca 0.11 -1.60 0.00 0.00 -0.52 0.00 0.00 55.73 53.72 2bk3 s ARG 100 Cb -0.05 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 34.30 2bk3 s ARG 100 CO 0.05 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.96 2bk3 n GLY 101 N -0.39 -1.01 0.22 -3.53 0.00 -1.26 -4.75 105.19 94.47 2bk3 n GLY 101 Ca -0.08 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.25 2bk3 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk3 h PRO 102 N 0.00 0.53 -5.35 1.61 0.13 -1.96 -3.44 132.00 123.52 2bk3 h PRO 102 Ca 0.00 -0.28 -0.62 0.00 -0.87 0.00 0.00 66.00 64.24 2bk3 h PRO 102 Cb 0.00 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.03 2bk3 h PRO 102 CO 0.00 0.86 -0.50 -0.06 -0.23 0.00 0.00 178.00 178.08 2bk3 s PHE 103 N -4.18 3.43 0.06 1.56 0.40 -1.26 -4.93 117.98 113.06 2bk3 s PHE 103 Ca -0.07 0.35 -0.31 0.00 -0.60 0.00 0.00 56.93 56.30 2bk3 s PHE 103 Cb 0.12 -2.11 -0.08 0.00 0.51 0.00 0.00 43.02 41.46 2bk3 s PHE 103 CO 0.82 0.37 1.72 -2.14 0.70 0.00 0.00 175.22 176.69 2bk3 s PRO 104 N 0.08 4.18 0.71 0.24 0.02 -1.26 -4.94 135.00 134.03 2bk3 s PRO 104 Ca 0.09 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 2bk3 s PRO 104 Cb -0.11 -3.71 0.01 0.00 0.02 0.00 0.00 34.50 30.71 2bk3 s PRO 104 CO -0.01 -0.79 1.06 -1.25 -0.33 0.00 0.00 177.00 175.68 2bk3 s PRO 105 N 3.03 2.84 -0.02 5.54 0.04 -1.26 -5.08 135.00 140.09 2bk3 s PRO 105 Ca 0.77 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2bk3 s PRO 105 Cb -0.41 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.16 2bk3 s PRO 105 CO 0.34 -1.16 0.05 0.54 0.04 0.00 0.00 177.00 176.80 2bk3 s VAL 106 N -3.05 -0.01 -0.21 -0.36 0.11 -1.26 -5.07 120.40 110.54 2bk3 s VAL 106 Ca 0.58 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.64 2bk3 s VAL 106 Cb -0.14 -0.08 -0.20 0.00 -1.53 0.00 0.00 36.38 34.43 2bk3 s VAL 106 CO 0.55 0.02 -0.01 0.79 -3.33 0.00 0.00 175.10 173.12 2bk3 n TRP 107 N 3.27 0.50 -1.68 1.54 7.02 -1.26 -4.71 117.44 122.12 2bk3 n TRP 107 Ca -0.15 0.12 -0.48 0.00 -1.02 0.00 0.00 57.50 55.96 2bk3 n TRP 107 Cb 0.58 -1.06 -0.05 0.00 -2.42 0.00 0.00 31.31 28.36 2bk3 n TRP 107 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2bk3 n ASN 108 N -3.48 3.45 -0.29 -0.99 2.85 -1.26 -4.82 115.26 110.72 2bk3 n ASN 108 Ca -0.41 0.97 0.04 0.00 -0.11 0.00 0.00 54.58 55.08 2bk3 n ASN 108 Cb 0.99 -1.37 0.19 0.00 1.24 0.00 0.00 39.78 40.82 2bk3 n ASN 108 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2bk3 h PRO 109 N 9.22 0.71 0.04 1.20 0.11 -1.98 0.80 132.00 142.10 2bk3 h PRO 109 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2bk3 h PRO 109 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2bk3 h PRO 109 CO 0.95 0.47 -0.02 0.82 -0.21 0.00 0.00 178.00 180.01 2bk3 h ILE 110 N 0.73 1.17 -0.65 4.15 1.08 -2.00 -2.31 117.51 119.69 2bk3 h ILE 110 Ca 0.42 -0.71 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 2bk3 h ILE 110 Cb 0.46 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 2bk3 h ILE 110 CO -0.28 0.18 0.43 0.74 -0.69 0.00 0.00 178.15 178.53 2bk3 h THR 111 N -0.37 1.15 -0.21 -0.27 2.02 -1.76 -1.42 112.91 112.05 2bk3 h THR 111 Ca -0.01 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2bk3 h THR 111 Cb 0.34 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2bk3 h THR 111 CO 0.01 0.16 0.11 0.22 0.37 0.00 0.00 175.52 176.39 2bk3 h TYR 112 N 0.86 0.29 -0.73 3.16 5.03 0.68 -0.11 116.97 126.15 2bk3 h TYR 112 Ca 0.24 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.57 2bk3 h TYR 112 Cb -0.07 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.08 2bk3 h TYR 112 CO -0.00 0.27 0.46 -0.07 -1.32 0.00 0.00 178.16 177.50 2bk3 h LEU 113 N 0.23 0.77 0.06 2.82 3.38 -0.81 -0.54 115.31 121.22 2bk3 h LEU 113 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2bk3 h LEU 113 Cb 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2bk3 h LEU 113 CO -0.01 0.54 -0.03 -0.78 0.09 0.00 0.00 178.44 178.25 2bk3 h ASP 114 N 0.91 -0.07 -0.30 -0.43 3.58 -1.05 -1.11 116.42 117.96 2bk3 h ASP 114 Ca 0.29 -0.21 0.03 0.00 0.42 0.00 0.00 57.03 57.56 2bk3 h ASP 114 Cb -0.01 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2bk3 h ASP 114 CO -0.10 0.17 0.11 0.45 -2.88 0.00 0.00 179.24 176.99 2bk3 h HIS 115 N -0.30 0.20 -0.91 0.28 3.86 -0.94 -0.55 115.15 116.78 2bk3 h HIS 115 Ca -0.01 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2bk3 h HIS 115 Cb 0.27 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.65 2bk3 h HIS 115 CO 0.00 0.09 0.60 -0.97 0.86 0.00 0.00 177.93 178.51 2bk3 h ASN 116 N 0.25 1.03 0.01 2.45 -0.73 -1.05 -2.45 115.58 115.08 2bk3 h ASN 116 Ca 0.13 -0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.14 2bk3 h ASN 116 Cb 0.10 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 2bk3 h ASN 116 CO -0.13 0.73 -0.46 -1.13 -0.37 0.00 0.00 177.43 176.07 2bk3 h ASN 117 N 1.21 0.58 0.41 1.15 -0.73 -0.86 -2.59 115.58 114.75 2bk3 h ASN 117 Ca 0.34 -0.28 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 2bk3 h ASN 117 Cb -0.11 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.32 2bk3 h ASN 117 CO -0.08 0.95 -0.20 0.15 -0.37 0.00 0.00 177.43 177.88 2bk3 h PHE 118 N 0.43 -0.51 -0.65 0.67 3.57 -0.63 -0.11 116.94 119.72 2bk3 h PHE 118 Ca 0.03 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2bk3 h PHE 118 Cb 0.97 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 2bk3 h PHE 118 CO 0.04 -0.29 0.23 -1.49 -2.23 0.00 0.00 178.31 174.57 2bk3 h TRP 119 N -0.60 1.02 -0.45 0.41 4.06 -1.56 -1.86 115.95 116.96 2bk3 h TRP 119 Ca -0.06 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.80 2bk3 h TRP 119 Cb 0.45 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 2bk3 h TRP 119 CO -0.04 0.82 0.29 -0.09 -3.56 0.00 0.00 178.44 175.86 2bk3 h ARG 120 N 0.92 0.60 -0.52 0.49 2.43 -1.41 -2.70 114.38 114.20 2bk3 h ARG 120 Ca 0.21 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 2bk3 h ARG 120 Cb 0.26 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2bk3 h ARG 120 CO -0.01 0.41 -0.13 1.15 -1.51 0.00 0.00 179.97 179.88 2bk3 h THR 121 N 0.61 1.27 -0.51 0.20 2.02 -0.78 0.96 112.91 116.68 2bk3 h THR 121 Ca 0.16 -1.29 0.10 0.00 0.77 0.00 0.00 66.41 66.16 2bk3 h THR 121 Cb -0.06 1.02 -0.10 0.00 -1.74 0.00 0.00 68.15 67.28 2bk3 h THR 121 CO -0.03 0.45 -0.12 0.24 0.37 0.00 0.00 175.52 176.43 2bk3 h MET 122 N 0.87 0.01 -0.24 6.66 2.86 -1.22 0.64 114.93 124.51 2bk3 h MET 122 Ca 0.13 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.61 2bk3 h MET 122 Cb 0.70 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2bk3 h MET 122 CO 0.05 0.01 -0.52 -0.44 1.06 0.00 0.00 176.91 177.07 2bk3 h ASP 123 N 0.01 0.75 0.06 1.22 3.32 -1.15 -1.65 116.42 118.98 2bk3 h ASP 123 Ca 0.25 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.92 2bk3 h ASP 123 Cb 0.38 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2bk3 h ASP 123 CO -0.52 1.13 -0.10 0.44 -1.72 0.00 0.00 179.24 178.47 2bk3 h ASP 124 N 0.53 -0.27 -0.77 6.45 3.32 -0.25 -2.00 116.42 123.44 2bk3 h ASP 124 Ca 0.02 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2bk3 h ASP 124 Cb 1.08 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2bk3 h ASP 124 CO 0.11 -0.15 0.48 0.24 -1.72 0.00 0.00 179.24 178.20 2bk3 h MET 125 N -0.20 1.03 -0.34 3.56 2.86 -0.89 -2.70 114.93 118.25 2bk3 h MET 125 Ca 0.02 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2bk3 h MET 125 Cb 0.21 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2bk3 h MET 125 CO -0.06 0.71 0.23 0.78 1.06 0.00 0.00 176.91 179.63 2bk3 h GLY 126 N 1.04 0.32 2.00 8.32 0.00 -0.89 -2.06 103.07 111.81 2bk3 h GLY 126 Ca 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2bk3 h GLY 126 CO -0.05 0.09 -0.02 3.21 0.00 0.00 0.00 176.54 179.76 2bk3 h ARG 127 N 0.28 0.00 -0.01 4.80 3.08 -1.03 -1.89 114.38 119.62 2bk3 h ARG 127 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2bk3 h ARG 127 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2bk3 h ARG 127 CO -0.03 0.02 -0.06 0.39 -1.07 0.00 0.00 179.97 179.23 2bk3 n GLU 128 N -3.16 1.19 -3.82 0.04 -0.58 -0.77 -4.83 120.64 108.71 2bk3 n GLU 128 Ca -0.01 -0.53 -0.37 0.00 -0.42 0.00 0.00 57.16 55.84 2bk3 n GLU 128 Cb 0.23 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.48 2bk3 n GLU 128 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2bk3 s ILE 129 N -2.17 3.54 0.19 -3.67 1.01 -0.71 -4.27 121.20 115.13 2bk3 s ILE 129 Ca 0.36 -1.04 -0.32 0.00 0.00 0.00 0.00 60.65 59.66 2bk3 s ILE 129 Cb 0.21 -2.93 -0.11 0.00 0.01 0.00 0.00 42.46 39.64 2bk3 s ILE 129 CO 0.40 -0.04 1.62 -2.84 0.00 0.00 0.00 174.94 174.08 2bk3 s PRO 130 N 1.39 4.18 0.26 2.79 0.02 -1.26 -4.91 135.00 137.47 2bk3 s PRO 130 Ca -0.01 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.46 2bk3 s PRO 130 Cb -0.18 -3.11 0.43 0.00 0.02 0.00 0.00 34.50 31.65 2bk3 s PRO 130 CO 0.01 -0.66 1.86 0.77 -0.33 0.00 0.00 177.00 178.65 2bk3 h SER 131 N 6.58 0.96 -0.08 2.53 0.02 -1.94 -2.35 113.55 119.26 2bk3 h SER 131 Ca -0.43 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2bk3 h SER 131 Cb 1.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2bk3 h SER 131 CO 0.92 0.58 0.00 -0.90 -1.14 0.00 0.00 176.83 176.29 2bk3 n ASP 132 N -4.57 2.01 -2.73 3.07 5.75 -1.26 -4.56 116.55 114.27 2bk3 n ASP 132 Ca 0.16 -1.69 -0.07 0.00 -0.01 0.00 0.00 54.79 53.18 2bk3 n ASP 132 Cb 0.23 -0.04 0.07 0.00 -1.03 0.00 0.00 41.12 40.34 2bk3 n ASP 132 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bk3 n ALA 133 N 0.56 -1.79 -0.00 2.12 0.00 -1.00 -5.02 120.51 115.38 2bk3 n ALA 133 Ca 0.17 -1.16 0.15 0.00 0.00 0.00 0.00 53.44 52.61 2bk3 n ALA 133 Cb 0.42 -1.75 0.60 0.00 0.00 0.00 0.00 19.45 18.73 2bk3 n ALA 133 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bk3 h PRO 134 N 3.55 0.17 0.00 0.00 0.13 -1.68 0.22 132.00 134.40 2bk3 h PRO 134 Ca -0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2bk3 h PRO 134 Cb 1.09 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2bk3 h PRO 134 CO 0.18 0.11 0.00 -2.67 -0.23 0.00 0.00 178.00 175.39 2bk3 n TRP 135 N -4.44 0.00 1.29 1.56 2.14 -1.26 -1.85 117.44 114.88 2bk3 n TRP 135 Ca 0.08 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.78 2bk3 n TRP 135 Cb 0.44 -0.48 0.41 0.00 -0.81 0.00 0.00 31.31 30.88 2bk3 n TRP 135 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2bk3 n LYS 136 N -1.48 0.92 -1.67 -2.67 5.02 0.07 -4.78 118.16 113.56 2bk3 n LYS 136 Ca 0.02 -0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 55.37 2bk3 n LYS 136 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2bk3 n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bk3 n ALA 137 N -0.58 0.95 -0.32 7.82 0.00 -0.77 -4.88 120.51 122.73 2bk3 n ALA 137 Ca 0.13 0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.99 2bk3 n ALA 137 Cb 0.34 -2.21 0.35 0.00 0.00 0.00 0.00 19.45 17.93 2bk3 n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bk3 h PRO 138 N 2.11 0.72 -0.66 0.00 0.11 -1.92 -1.52 132.00 130.84 2bk3 h PRO 138 Ca -0.46 -0.04 -0.39 0.00 0.11 0.00 0.00 66.00 65.21 2bk3 h PRO 138 Cb 1.30 -0.16 -0.23 0.00 0.11 0.00 0.00 31.00 32.02 2bk3 h PRO 138 CO 0.60 0.48 0.12 1.28 -0.21 0.00 0.00 178.00 180.27 2bk3 n LEU 139 N -4.64 5.41 -0.15 2.35 4.77 -1.26 -4.81 117.00 118.68 2bk3 n LEU 139 Ca 0.20 -3.99 -0.03 0.00 -0.03 0.00 0.00 56.01 52.16 2bk3 n LEU 139 Cb 0.52 -0.70 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2bk3 n LEU 139 CO 0.26 1.39 0.81 0.00 -1.33 0.00 0.00 177.39 178.53 2bk3 h ALA 140 N 1.35 0.38 0.14 -1.18 0.00 -1.58 -1.06 119.26 117.32 2bk3 h ALA 140 Ca 0.40 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 2bk3 h ALA 140 Cb 1.73 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2bk3 h ALA 140 CO 0.80 -0.42 -0.07 0.93 0.00 0.00 0.00 179.25 180.50 2bk3 h GLU 141 N 0.06 -0.18 -0.51 0.00 5.08 -1.87 0.10 114.58 117.26 2bk3 h GLU 141 Ca 0.23 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 2bk3 h GLU 141 Cb 0.35 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2bk3 h GLU 141 CO -0.43 0.05 0.19 1.49 -1.00 0.00 0.00 179.01 179.31 2bk3 h GLU 142 N -0.40 0.37 -0.05 2.33 4.81 -1.88 -1.67 114.58 118.09 2bk3 h GLU 142 Ca -0.02 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 2bk3 h GLU 142 Cb 0.32 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2bk3 h GLU 142 CO 0.03 0.24 -0.50 -1.49 -0.73 0.00 0.00 179.01 176.56 2bk3 h TRP 143 N 0.38 0.17 0.00 0.92 6.55 -1.08 -3.10 115.95 119.79 2bk3 h TRP 143 Ca 0.24 -0.05 -0.03 0.00 0.95 0.00 0.00 58.89 60.00 2bk3 h TRP 143 Cb 0.25 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 28.51 2bk3 h TRP 143 CO -0.15 0.62 -0.12 0.22 -1.05 0.00 0.00 178.44 177.95 2bk3 h ASP 144 N 0.11 0.00 -0.35 -3.49 3.58 -0.38 -1.94 116.42 113.95 2bk3 h ASP 144 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2bk3 h ASP 144 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2bk3 h ASP 144 CO 0.07 0.12 0.00 0.59 -2.88 0.00 0.00 179.24 177.14 2bk3 n ASN 145 N -3.15 2.05 -4.36 2.28 3.02 -0.66 -0.95 115.26 113.48 2bk3 n ASN 145 Ca 0.03 -1.94 -0.30 0.00 -0.03 0.00 0.00 54.58 52.34 2bk3 n ASN 145 Cb 0.53 -0.23 -0.14 0.00 -0.61 0.00 0.00 39.78 39.32 2bk3 n ASN 145 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2bk3 s MET 146 N -1.54 1.78 0.64 3.52 -1.94 -1.21 -4.94 119.30 115.61 2bk3 s MET 146 Ca 0.28 -1.13 -0.08 0.00 -1.71 0.00 0.00 55.69 53.04 2bk3 s MET 146 Cb 0.15 -1.99 0.01 0.00 2.01 0.00 0.00 34.83 35.01 2bk3 s MET 146 CO 0.20 0.51 0.99 0.95 -0.01 0.00 0.00 175.02 177.65 2bk3 s THR 147 N -0.85 3.58 0.48 2.05 -4.23 -1.26 -0.86 115.64 114.54 2bk3 s THR 147 Ca 0.12 0.21 0.13 0.00 -1.18 0.00 0.00 61.69 60.98 2bk3 s THR 147 Cb -0.10 -3.46 0.25 0.00 1.34 0.00 0.00 72.50 70.53 2bk3 s THR 147 CO 0.03 -0.54 2.09 0.24 -0.54 0.00 0.00 174.62 175.90 2bk3 h MET 148 N -0.39 0.13 -0.38 3.99 2.86 -0.84 -2.32 114.93 117.99 2bk3 h MET 148 Ca -0.45 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2bk3 h MET 148 Cb 1.25 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 2bk3 h MET 148 CO 0.62 0.13 0.24 -0.22 1.06 0.00 0.00 176.91 178.74 2bk3 h LYS 149 N 0.13 0.50 -0.46 1.72 3.64 -1.63 -0.29 116.57 120.18 2bk3 h LYS 149 Ca 0.03 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2bk3 h LYS 149 Cb 0.06 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2bk3 h LYS 149 CO -0.00 0.35 0.21 0.93 -2.27 0.00 0.00 179.45 178.67 2bk3 h GLU 150 N 0.50 0.68 -0.34 1.90 5.08 -1.77 -1.20 114.58 119.43 2bk3 h GLU 150 Ca 0.14 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2bk3 h GLU 150 Cb -0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2bk3 h GLU 150 CO -0.03 0.59 0.19 1.25 -1.00 0.00 0.00 179.01 180.02 2bk3 h LEU 151 N 0.61 0.31 -0.95 1.33 5.85 -1.15 -2.55 115.31 118.76 2bk3 h LEU 151 Ca 0.16 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2bk3 h LEU 151 Cb 0.15 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2bk3 h LEU 151 CO -0.02 0.23 0.38 -0.07 -0.34 0.00 0.00 178.44 178.62 2bk3 h LEU 152 N 0.40 1.02 -1.37 2.25 3.38 -0.88 -0.65 115.31 119.47 2bk3 h LEU 152 Ca 0.13 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2bk3 h LEU 152 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2bk3 h LEU 152 CO -0.07 0.86 0.43 0.44 0.09 0.00 0.00 178.44 180.20 2bk3 h ASP 153 N 1.12 0.73 0.41 -0.43 3.32 -0.88 -0.21 116.42 120.49 2bk3 h ASP 153 Ca 0.27 -0.02 -0.31 0.00 0.02 0.00 0.00 57.03 56.99 2bk3 h ASP 153 Cb 0.11 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 39.50 2bk3 h ASP 153 CO -0.03 0.53 -1.43 0.11 -1.72 0.00 0.00 179.24 176.69 2bk3 h LYS 154 N 0.86 0.40 0.19 3.56 1.57 -1.07 -3.39 116.57 118.70 2bk3 h LYS 154 Ca 0.24 -0.68 -0.31 0.00 -1.87 0.00 0.00 60.65 58.04 2bk3 h LYS 154 Cb -0.07 0.25 0.02 0.00 0.08 0.00 0.00 32.23 32.52 2bk3 h LYS 154 CO -0.06 1.31 -1.36 1.25 -0.57 0.00 0.00 179.45 180.03 2bk3 h LEU 155 N 0.11 0.68 -8.75 2.94 5.85 -0.87 -3.45 115.31 111.82 2bk3 h LEU 155 Ca -0.22 -0.71 -0.66 0.00 0.84 0.00 0.00 57.88 57.13 2bk3 h LEU 155 Cb 2.08 -0.22 -0.16 0.00 0.37 0.00 0.00 40.66 42.73 2bk3 h LEU 155 CO 0.23 1.55 -0.18 0.00 -0.34 0.00 0.00 178.44 179.70 2bk3 n TRP 157 N 5.54 0.02 -4.51 0.00 7.02 -1.26 -4.84 117.44 119.41 2bk3 n TRP 157 Ca -0.07 0.01 -0.29 0.00 -1.02 0.00 0.00 57.50 56.13 2bk3 n TRP 157 Cb 0.49 -0.26 -0.13 0.00 -2.42 0.00 0.00 31.31 28.99 2bk3 n TRP 157 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2bk3 s THR 158 N -3.01 2.19 0.36 -0.99 -4.23 -1.26 -5.03 115.64 103.67 2bk3 s THR 158 Ca 0.11 -1.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2bk3 s THR 158 Cb 0.17 -1.93 0.27 0.00 1.34 0.00 0.00 72.50 72.35 2bk3 s THR 158 CO 0.71 0.15 2.01 -0.33 -0.54 0.00 0.00 174.62 176.61 2bk3 h GLU 159 N 4.12 0.80 -0.20 3.99 4.39 -1.99 -2.63 114.58 123.05 2bk3 h GLU 159 Ca -0.50 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.18 2bk3 h GLU 159 Cb 1.16 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2bk3 h GLU 159 CO 0.40 0.53 0.07 1.03 -1.16 0.00 0.00 179.01 179.88 2bk3 h SER 160 N 0.83 0.08 -0.34 1.42 0.87 -1.99 0.12 113.55 114.54 2bk3 h SER 160 Ca 0.24 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 2bk3 h SER 160 Cb -0.04 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2bk3 h SER 160 CO -0.06 0.07 0.01 0.00 -0.53 0.00 0.00 176.83 176.33 2bk3 h ALA 161 N 1.13 0.46 -0.97 6.23 0.00 -1.89 -2.44 119.26 121.78 2bk3 h ALA 161 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2bk3 h ALA 161 Cb 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2bk3 h ALA 161 CO -0.09 0.20 0.64 -0.22 0.00 0.00 0.00 179.25 179.78 2bk3 h LYS 162 N 0.40 1.23 -0.38 0.00 3.64 -1.22 0.92 116.57 121.16 2bk3 h LYS 162 Ca 0.10 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2bk3 h LYS 162 Cb 0.43 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2bk3 h LYS 162 CO 0.01 0.82 -0.16 1.96 -2.27 0.00 0.00 179.45 179.81 2bk3 h GLN 163 N 1.27 0.79 -0.34 1.90 4.20 -0.90 -0.36 115.11 121.67 2bk3 h GLN 163 Ca 0.37 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 2bk3 h GLN 163 Cb -0.07 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2bk3 h GLN 163 CO -0.10 0.96 -0.20 1.25 -0.67 0.00 0.00 178.83 180.06 2bk3 h LEU 164 N 0.59 0.77 -0.74 1.46 5.85 -1.16 -2.14 115.31 119.94 2bk3 h LEU 164 Ca 0.09 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.40 2bk3 h LEU 164 Cb 0.71 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2bk3 h LEU 164 CO 0.05 1.02 0.48 0.00 -0.34 0.00 0.00 178.44 179.65 2bk3 h ALA 165 N 0.77 0.95 -0.15 1.25 0.00 -0.75 -0.80 119.26 120.53 2bk3 h ALA 165 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bk3 h ALA 165 Cb 0.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bk3 h ALA 165 CO 0.06 0.31 0.10 1.15 0.00 0.00 0.00 179.25 180.87 2bk3 h THR 166 N 0.96 1.04 -0.50 0.00 2.02 -0.98 -1.93 112.91 113.52 2bk3 h THR 166 Ca 0.28 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.45 2bk3 h THR 166 Cb -0.06 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 2bk3 h THR 166 CO -0.08 0.04 0.17 0.25 0.37 0.00 0.00 175.52 176.27 2bk3 h LEU 167 N 0.20 0.16 -0.49 2.58 6.46 -1.04 -1.18 115.31 122.00 2bk3 h LEU 167 Ca 0.05 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 2bk3 h LEU 167 Cb -0.02 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.90 2bk3 h LEU 167 CO -0.01 0.12 0.10 0.15 -0.62 0.00 0.00 178.44 178.18 2bk3 h PHE 168 N 0.34 0.17 0.21 1.25 3.57 -0.85 -0.05 116.94 121.57 2bk3 h PHE 168 Ca 0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2bk3 h PHE 168 Cb 0.27 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2bk3 h PHE 168 CO -0.17 0.00 -0.10 0.28 -2.23 0.00 0.00 178.31 176.09 2bk3 h VAL 169 N 0.24 0.86 -0.68 1.41 2.07 -0.92 -0.43 116.25 118.80 2bk3 h VAL 169 Ca 0.25 -0.40 0.14 0.00 0.82 0.00 0.00 66.70 67.51 2bk3 h VAL 169 Cb 0.32 1.09 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 2bk3 h VAL 169 CO -0.31 0.09 0.15 0.78 0.02 0.00 0.00 177.57 178.30 2bk3 h ASN 170 N -0.48 -0.00 -0.13 0.57 -0.26 -0.88 -1.89 115.58 112.51 2bk3 h ASN 170 Ca -0.03 0.13 -0.18 0.00 -0.56 0.00 0.00 56.30 55.66 2bk3 h ASN 170 Cb 0.36 0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.81 2bk3 h ASN 170 CO 0.05 -0.02 -0.57 0.25 -1.06 0.00 0.00 177.43 176.08 2bk3 h LEU 171 N 0.26 0.81 -0.51 1.61 5.85 -0.97 0.65 115.31 123.02 2bk3 h LEU 171 Ca 0.37 -0.45 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 2bk3 h LEU 171 Cb 0.60 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2bk3 h LEU 171 CO -0.47 1.21 -0.30 0.00 -0.34 0.00 0.00 178.44 178.54 2bk3 n VAL 173 N -4.08 0.50 -4.31 0.00 0.24 -0.76 -4.98 118.33 104.94 2bk3 n VAL 173 Ca -0.01 -0.55 -0.36 0.00 -2.04 0.00 0.00 64.34 61.39 2bk3 n VAL 173 Cb 0.49 0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 2bk3 n VAL 173 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bk3 n THR 174 N -0.31 -0.99 -3.88 3.34 -2.24 0.22 -4.58 114.28 105.84 2bk3 n THR 174 Ca 0.02 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 2bk3 n THR 174 Cb 0.49 -1.32 -0.07 0.00 -2.10 0.00 0.00 70.33 67.32 2bk3 n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk3 s ALA 175 N -3.57 -0.16 0.55 6.98 0.00 -1.24 -1.58 121.76 122.74 2bk3 s ALA 175 Ca 0.53 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 2bk3 s ALA 175 Cb -0.30 0.46 -0.07 0.00 0.00 0.00 0.00 23.12 23.22 2bk3 s ALA 175 CO 0.97 -0.49 1.00 -1.21 0.00 0.00 0.00 175.76 176.03 2bk3 s GLU 176 N -3.83 3.82 0.34 0.00 0.41 -1.26 -3.71 118.70 114.46 2bk3 s GLU 176 Ca 0.05 0.90 0.04 0.00 -0.41 0.00 0.00 54.97 55.55 2bk3 s GLU 176 Cb 0.05 -2.11 0.60 0.00 -1.78 0.00 0.00 34.13 30.88 2bk3 s GLU 176 CO -0.11 -0.38 1.89 1.79 -0.49 0.00 0.00 175.26 177.96 2bk3 h THR 177 N 0.52 1.19 0.00 3.63 1.35 -1.94 -1.40 112.91 116.25 2bk3 h THR 177 Ca -0.46 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2bk3 h THR 177 Cb 1.19 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2bk3 h THR 177 CO 0.61 0.25 0.00 0.00 -0.25 0.00 0.00 175.52 176.14 2bk3 n HIS 178 N -4.31 0.00 0.04 4.73 1.44 -1.26 -1.77 115.22 114.09 2bk3 n HIS 178 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2bk3 n HIS 178 Cb 0.21 -0.32 -0.08 0.00 0.12 0.00 0.00 29.99 29.92 2bk3 n HIS 178 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2bk3 n GLU 179 N -1.32 0.62 -4.63 -1.40 1.02 -0.53 -4.92 120.64 109.48 2bk3 n GLU 179 Ca 0.10 0.22 -0.32 0.00 -0.02 0.00 0.00 57.16 57.15 2bk3 n GLU 179 Cb 0.21 -1.81 -0.12 0.00 -0.02 0.00 0.00 31.44 29.69 2bk3 n GLU 179 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bk3 s VAL 180 N -2.94 3.20 0.28 2.62 -7.23 -1.22 -4.13 120.40 110.97 2bk3 s VAL 180 Ca -0.03 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 2bk3 s VAL 180 Cb 0.09 -2.35 -0.12 0.00 0.56 0.00 0.00 36.38 34.56 2bk3 s VAL 180 CO 0.81 0.42 1.58 -0.24 -0.31 0.00 0.00 175.10 177.36 2bk3 n SER 181 N 1.72 3.70 -0.18 4.85 2.88 -0.05 -1.32 113.62 125.22 2bk3 n SER 181 Ca -0.16 1.14 -0.07 0.00 -1.33 0.00 0.00 58.87 58.45 2bk3 n SER 181 Cb 0.52 -1.56 0.02 0.00 -0.75 0.00 0.00 64.21 62.44 2bk3 n SER 181 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bk3 h ALA 182 N 4.88 0.67 -0.11 -1.46 0.00 -1.02 -1.81 119.26 120.41 2bk3 h ALA 182 Ca -0.46 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2bk3 h ALA 182 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2bk3 h ALA 182 CO 0.80 0.17 -0.03 1.25 0.00 0.00 0.00 179.25 181.44 2bk3 h LEU 183 N 0.70 -0.12 -0.43 0.00 5.85 -1.60 -1.18 115.31 118.54 2bk3 h LEU 183 Ca 0.19 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2bk3 h LEU 183 Cb 0.02 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2bk3 h LEU 183 CO -0.03 -0.04 0.27 -0.25 -0.34 0.00 0.00 178.44 178.04 2bk3 h TRP 184 N -0.01 0.50 -0.49 1.25 7.01 -1.85 -0.08 115.95 122.29 2bk3 h TRP 184 Ca 0.05 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2bk3 h TRP 184 Cb 0.09 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 2bk3 h TRP 184 CO -0.16 0.30 0.21 0.35 -2.79 0.00 0.00 178.44 176.36 2bk3 h PHE 185 N 0.54 0.73 -0.99 2.65 3.57 -1.18 0.22 116.94 122.48 2bk3 h PHE 185 Ca 0.17 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2bk3 h PHE 185 Cb -0.02 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 2bk3 h PHE 185 CO -0.06 0.60 0.65 -0.07 -2.23 0.00 0.00 178.31 177.20 2bk3 h LEU 186 N 0.65 1.13 -0.05 0.59 3.38 -1.03 -1.35 115.31 118.63 2bk3 h LEU 186 Ca 0.17 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2bk3 h LEU 186 Cb 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2bk3 h LEU 186 CO -0.02 0.82 0.03 -0.25 0.09 0.00 0.00 178.44 179.11 2bk3 h TRP 187 N 1.33 0.07 -0.51 1.13 7.01 -0.71 -2.10 115.95 122.17 2bk3 h TRP 187 Ca 0.36 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.45 2bk3 h TRP 187 Cb -0.15 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 26.81 2bk3 h TRP 187 CO -0.00 0.11 0.10 -0.92 -2.79 0.00 0.00 178.44 174.94 2bk3 h TYR 188 N 0.01 0.17 -0.24 2.65 3.20 -0.06 0.26 116.97 122.95 2bk3 h TYR 188 Ca 0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2bk3 h TYR 188 Cb 0.06 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2bk3 h TYR 188 CO -0.05 -0.01 -0.06 0.28 -1.64 0.00 0.00 178.16 176.68 2bk3 h VAL 189 N 0.24 1.28 -0.81 1.81 2.07 -1.27 -3.13 116.25 116.45 2bk3 h VAL 189 Ca 0.26 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.73 2bk3 h VAL 189 Cb 0.35 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2bk3 h VAL 189 CO -0.34 0.33 0.53 0.50 0.02 0.00 0.00 177.57 178.61 2bk3 h LYS 190 N 0.20 1.05 0.00 1.57 3.11 -0.84 -0.90 116.57 120.75 2bk3 h LYS 190 Ca 0.06 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2bk3 h LYS 190 Cb 0.52 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2bk3 h LYS 190 CO 0.02 0.69 0.00 0.00 -2.81 0.00 0.00 179.45 177.36 2bk3 n GLN 191 N -4.53 0.37 -0.08 1.90 -0.00 0.03 -1.00 117.38 114.07 2bk3 n GLN 191 Ca 0.08 0.06 0.12 0.00 -0.00 0.00 0.00 57.00 57.27 2bk3 n GLN 191 Cb 0.03 -1.50 0.26 0.00 -0.00 0.00 0.00 30.24 29.03 2bk3 n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bk3 n GLY 193 N 1.33 0.92 0.00 0.00 0.00 -0.17 -4.57 105.19 102.71 2bk3 n GLY 193 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2bk3 n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 194 N -2.14 0.60 0.09 -0.02 0.00 -0.40 -4.53 105.19 98.78 2bk3 n GLY 194 Ca 0.00 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 2bk3 n GLY 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bk3 h THR 195 N 0.00 0.92 -0.22 2.61 1.35 -1.91 -1.63 112.91 114.03 2bk3 h THR 195 Ca 0.00 -0.07 0.04 0.00 -0.55 0.00 0.00 66.41 65.83 2bk3 h THR 195 Cb 0.00 0.97 -0.04 0.00 -1.73 0.00 0.00 68.15 67.35 2bk3 h THR 195 CO 0.00 0.02 -0.04 0.74 -0.25 0.00 0.00 175.52 175.98 2bk3 h THR 196 N -0.17 0.79 -0.68 6.82 2.02 -1.97 -1.94 112.91 117.79 2bk3 h THR 196 Ca -0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2bk3 h THR 196 Cb 0.13 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2bk3 h THR 196 CO 0.02 0.00 0.37 -0.09 0.37 0.00 0.00 175.52 176.19 2bk3 h ARG 197 N 0.01 0.95 -0.03 6.66 9.65 -1.76 -2.54 114.38 127.33 2bk3 h ARG 197 Ca 0.11 -0.11 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 2bk3 h ARG 197 Cb 0.16 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 2bk3 h ARG 197 CO -0.22 0.72 -0.62 0.97 2.80 0.00 0.00 179.97 183.62 2bk3 h ILE 198 N 0.93 1.42 0.00 1.20 2.10 -1.01 -2.32 117.51 119.83 2bk3 h ILE 198 Ca 0.24 -2.08 0.00 0.00 1.08 0.00 0.00 64.86 64.09 2bk3 h ILE 198 Cb 0.05 2.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 2bk3 h ILE 198 CO -0.04 0.60 -0.71 2.30 -1.08 0.00 0.00 178.15 179.23 2bk3 n ILE 199 N -3.83 0.09 -3.19 2.19 -5.35 -0.75 -4.54 119.36 103.98 2bk3 n ILE 199 Ca -0.02 -0.09 -0.35 0.00 -0.27 0.00 0.00 62.75 62.02 2bk3 n ILE 199 Cb 0.62 0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 38.74 2bk3 n ILE 199 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2bk3 s SER 200 N -3.39 6.94 0.00 7.28 0.01 -0.97 -4.95 113.70 118.63 2bk3 s SER 200 Ca 0.08 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2bk3 s SER 200 Cb 0.16 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2bk3 s SER 200 CO 0.75 0.02 0.00 0.41 0.41 0.00 0.00 173.24 174.82 2bk3 n THR 201 N 0.57 0.00 -1.67 1.44 -1.04 -1.26 -2.08 114.28 110.24 2bk3 n THR 201 Ca -0.02 0.00 -0.48 0.00 -2.04 0.00 0.00 64.05 61.51 2bk3 n THR 201 Cb 0.52 -0.49 -0.05 0.00 -1.82 0.00 0.00 70.33 68.49 2bk3 n THR 201 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2bk3 n THR 202 N -0.93 0.21 -1.48 12.58 -1.04 -1.26 -1.34 114.28 121.02 2bk3 n THR 202 Ca 0.00 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.05 61.81 2bk3 n THR 202 Cb 0.00 -1.54 -0.07 0.00 -1.82 0.00 0.00 70.33 66.90 2bk3 n THR 202 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2bk3 n ASN 203 N 4.50 -5.12 -0.51 8.00 5.15 -1.26 -4.97 115.26 121.04 2bk3 n ASN 203 Ca 0.20 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2bk3 n ASN 203 Cb 0.27 -4.08 0.00 0.00 -0.53 0.00 0.00 39.78 35.44 2bk3 n ASN 203 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bk3 n GLY 204 N -0.78 4.79 0.30 8.20 0.00 -0.45 -4.80 105.19 112.46 2bk3 n GLY 204 Ca -0.17 -1.59 0.19 0.00 0.00 0.00 0.00 46.02 44.45 2bk3 n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bk3 h GLY 205 N 0.00 0.00 -2.76 -0.02 0.00 -0.98 -2.54 103.07 96.77 2bk3 h GLY 205 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bk3 h GLY 205 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2bk3 n GLN 206 N -3.29 4.04 -0.34 4.80 3.00 -0.89 -3.66 117.38 121.04 2bk3 n GLN 206 Ca -0.02 -2.99 -0.03 0.00 -0.01 0.00 0.00 57.00 53.95 2bk3 n GLN 206 Cb 0.16 -2.05 0.09 0.00 0.00 0.00 0.00 30.24 28.45 2bk3 n GLN 206 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2bk3 h GLU 207 N 3.21 1.22 -4.55 -1.09 4.81 -1.12 -3.43 114.58 113.65 2bk3 h GLU 207 Ca 0.00 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 58.94 2bk3 h GLU 207 Cb 1.70 -0.27 -0.15 0.00 0.63 0.00 0.00 28.75 30.66 2bk3 h GLU 207 CO 0.36 0.82 -0.66 1.03 -0.73 0.00 0.00 179.01 179.82 2bk3 s ARG 208 N -6.10 0.94 0.18 1.92 0.52 -0.03 -0.66 118.95 115.72 2bk3 s ARG 208 Ca -0.13 -1.44 0.03 0.00 -0.52 0.00 0.00 55.73 53.67 2bk3 s ARG 208 Cb 0.17 0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.63 2bk3 s ARG 208 CO 0.81 -0.18 -0.03 0.15 0.02 0.00 0.00 175.30 176.07 2bk3 s LYS 209 N -3.97 1.14 0.07 3.54 1.02 -0.68 -1.13 119.74 119.71 2bk3 s LYS 209 Ca 0.21 -1.53 -0.27 0.00 0.02 0.00 0.00 55.97 54.40 2bk3 s LYS 209 Cb 0.07 -0.45 -0.06 0.00 -0.52 0.00 0.00 37.83 36.88 2bk3 s LYS 209 CO 0.01 -0.06 0.83 -0.06 -0.92 0.00 0.00 175.35 175.15 2bk3 s PHE 210 N -3.51 3.76 0.05 3.18 0.40 -1.26 -1.22 117.98 119.39 2bk3 s PHE 210 Ca 0.22 1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 57.83 2bk3 s PHE 210 Cb 0.05 -2.90 -0.09 0.00 0.51 0.00 0.00 43.02 40.59 2bk3 s PHE 210 CO 0.04 0.25 1.86 0.08 0.70 0.00 0.00 175.22 178.14 2bk3 s VAL 211 N -0.02 2.94 0.00 -0.44 1.01 -0.14 -2.17 120.40 121.58 2bk3 s VAL 211 Ca 0.41 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2bk3 s VAL 211 Cb -0.21 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2bk3 s VAL 211 CO 0.25 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2bk3 n GLY 212 N 4.35 0.87 0.00 4.51 0.00 -1.26 -4.68 105.19 108.98 2bk3 n GLY 212 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2bk3 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 213 N -2.00 1.64 0.23 -0.02 0.00 -0.92 -4.77 105.19 99.36 2bk3 n GLY 213 Ca 0.00 -1.69 0.15 0.00 0.00 0.00 0.00 46.02 44.47 2bk3 n GLY 213 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bk3 h SER 214 N 0.00 0.00 0.18 1.61 4.64 -1.83 -3.11 113.55 115.03 2bk3 h SER 214 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bk3 h SER 214 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bk3 h SER 214 CO 0.00 0.00 -0.00 1.23 -0.87 0.00 0.00 176.83 177.19 2bk3 h GLY 215 N 3.01 0.00 2.00 -0.77 0.00 -1.88 -1.87 103.07 103.56 2bk3 h GLY 215 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2bk3 h GLY 215 CO 0.00 0.00 -0.16 1.46 0.00 0.00 0.00 176.54 177.84 2bk3 h GLN 216 N 0.00 0.00 0.55 4.80 4.20 -1.84 -2.23 115.11 120.60 2bk3 h GLN 216 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2bk3 h GLN 216 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2bk3 h GLN 216 CO 0.00 0.16 -0.37 0.28 -0.67 0.00 0.00 178.83 178.23 2bk3 h VAL 217 N 0.00 0.25 -0.57 -0.54 2.07 -1.58 -0.41 116.25 115.46 2bk3 h VAL 217 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2bk3 h VAL 217 Cb 0.39 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2bk3 h VAL 217 CO 0.02 0.00 0.14 0.28 0.02 0.00 0.00 177.57 178.03 2bk3 h SER 218 N -0.89 0.87 -0.67 0.57 0.02 -1.71 -2.77 113.55 108.97 2bk3 h SER 218 Ca -0.06 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2bk3 h SER 218 Cb 0.73 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2bk3 h SER 218 CO 0.05 0.88 0.39 -0.33 -1.14 0.00 0.00 176.83 176.68 2bk3 h GLU 219 N 0.82 0.92 0.00 3.45 5.08 -1.36 -1.43 114.58 122.06 2bk3 h GLU 219 Ca 0.18 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 2bk3 h GLU 219 Cb 0.35 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2bk3 h GLU 219 CO 0.00 0.67 -0.70 0.00 -1.00 0.00 0.00 179.01 177.98 2bk3 h ARG 220 N 0.91 0.00 -0.48 2.33 3.08 -1.04 -0.61 114.38 118.57 2bk3 h ARG 220 Ca 0.24 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 2bk3 h ARG 220 Cb -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2bk3 h ARG 220 CO -0.04 0.70 -0.09 0.82 -1.07 0.00 0.00 179.97 180.29 2bk3 h ILE 221 N 0.00 1.27 -0.90 2.04 2.04 -1.36 -2.40 117.51 118.20 2bk3 h ILE 221 Ca -0.01 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.69 2bk3 h ILE 221 Cb 1.27 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 2bk3 h ILE 221 CO 0.09 0.42 0.57 -0.03 0.00 0.00 0.00 178.15 179.20 2bk3 h MET 222 N 0.75 1.06 -0.79 2.37 4.05 -0.78 -0.68 114.93 120.90 2bk3 h MET 222 Ca 0.12 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2bk3 h MET 222 Cb 0.63 -0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 31.14 2bk3 h MET 222 CO 0.04 0.70 0.50 -0.44 0.23 0.00 0.00 176.91 177.94 2bk3 h ASP 223 N 1.09 0.83 -0.57 1.39 3.32 -0.99 -0.96 116.42 120.52 2bk3 h ASP 223 Ca 0.37 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.34 2bk3 h ASP 223 Cb 0.06 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2bk3 h ASP 223 CO -0.14 0.56 0.05 -0.07 -1.72 0.00 0.00 179.24 177.93 2bk3 h LEU 224 N 0.97 0.97 0.00 1.55 3.38 -0.82 -3.21 115.31 118.15 2bk3 h LEU 224 Ca 0.32 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bk3 h LEU 224 Cb 0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2bk3 h LEU 224 CO -0.12 1.00 -0.08 -0.07 0.09 0.00 0.00 178.44 179.26 2bk3 h LEU 225 N 0.93 0.00 0.00 1.67 3.38 -0.66 -3.49 115.31 117.15 2bk3 h LEU 225 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2bk3 h LEU 225 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2bk3 h LEU 225 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2bk3 n GLY 226 N 1.12 3.22 0.00 0.83 0.00 -0.41 -2.68 105.19 107.27 2bk3 n GLY 226 Ca 0.04 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.88 2bk3 n GLY 226 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bk3 n ASP 227 N 3.36 0.00 0.25 1.61 5.68 -1.26 -2.74 116.55 123.45 2bk3 n ASP 227 Ca 0.00 -0.88 0.14 0.00 -0.50 0.00 0.00 54.79 53.54 2bk3 n ASP 227 Cb 0.00 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 40.54 2bk3 n ASP 227 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2bk3 h ARG 228 N 0.00 0.00 -5.57 0.11 3.08 -1.82 -3.41 114.38 106.77 2bk3 h ARG 228 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2bk3 h ARG 228 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 2bk3 h ARG 228 CO 0.00 0.10 0.15 0.08 -1.07 0.00 0.00 179.97 179.23 2bk3 s VAL 229 N -3.65 5.00 -0.32 2.04 1.01 -1.11 -0.79 120.40 122.58 2bk3 s VAL 229 Ca 0.01 1.15 -0.07 0.00 0.00 0.00 0.00 61.98 63.07 2bk3 s VAL 229 Cb 0.09 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2bk3 s VAL 229 CO 0.59 0.06 0.09 -0.54 0.00 0.00 0.00 175.10 175.30 2bk3 s LYS 230 N 2.28 2.88 0.33 2.72 -0.14 0.64 -4.96 119.74 123.50 2bk3 s LYS 230 Ca 0.27 -1.00 -0.11 0.00 -1.36 0.00 0.00 55.97 53.77 2bk3 s LYS 230 Cb -0.16 -3.42 -0.07 0.00 -1.68 0.00 0.00 37.83 32.51 2bk3 s LYS 230 CO 0.09 -0.54 0.69 -0.51 -0.76 0.00 0.00 175.35 174.32 2bk3 s LEU 231 N 1.46 3.99 -1.38 3.17 1.43 -1.26 -1.15 118.68 124.94 2bk3 s LEU 231 Ca 0.01 1.07 -0.08 0.00 -1.03 0.00 0.00 54.13 54.10 2bk3 s LEU 231 Cb -0.18 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.16 2bk3 s LEU 231 CO 0.03 -0.26 1.05 -0.62 0.23 0.00 0.00 176.35 176.78 2bk3 n GLU 232 N -0.77 -6.77 -3.41 1.70 1.02 0.12 -4.93 120.64 107.61 2bk3 n GLU 232 Ca 0.02 0.75 -0.27 0.00 -0.02 0.00 0.00 57.16 57.64 2bk3 n GLU 232 Cb 0.53 -5.70 -0.08 0.00 -0.02 0.00 0.00 31.44 26.18 2bk3 n GLU 232 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bk3 n ARG 233 N -4.70 2.27 -1.91 3.49 3.00 0.48 -4.84 116.66 114.44 2bk3 n ARG 233 Ca -0.06 -4.48 -0.42 0.00 -0.01 0.00 0.00 57.85 52.88 2bk3 n ARG 233 Cb 0.58 -2.12 -0.03 0.00 0.00 0.00 0.00 32.46 30.89 2bk3 n ARG 233 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2bk3 s PRO 234 N -2.27 4.20 0.07 5.56 0.02 -1.26 -3.91 135.00 137.41 2bk3 s PRO 234 Ca 0.39 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.48 2bk3 s PRO 234 Cb 0.15 -3.30 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 2bk3 s PRO 234 CO -0.03 -0.66 1.05 0.08 -0.33 0.00 0.00 177.00 177.11 2bk3 s VAL 235 N 1.64 4.39 -0.04 3.83 1.01 -1.26 -0.25 120.40 129.72 2bk3 s VAL 235 Ca 0.72 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.55 2bk3 s VAL 235 Cb -0.43 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 2bk3 s VAL 235 CO 0.32 0.20 0.08 2.30 0.00 0.00 0.00 175.10 178.00 2bk3 n ILE 236 N 3.39 0.00 -3.65 2.22 -5.35 -0.53 -4.58 119.36 110.86 2bk3 n ILE 236 Ca 0.05 -0.18 -0.09 0.00 -0.27 0.00 0.00 62.75 62.27 2bk3 n ILE 236 Cb 0.49 0.60 -0.08 0.00 -1.74 0.00 0.00 39.64 38.91 2bk3 n ILE 236 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2bk3 s TYR 237 N -1.94 -0.93 -0.09 4.28 5.04 -1.18 -0.70 117.35 121.84 2bk3 s TYR 237 Ca -0.00 1.92 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 2bk3 s TYR 237 Cb 0.02 0.51 0.02 0.00 0.35 0.00 0.00 41.96 42.86 2bk3 s TYR 237 CO 0.13 -0.47 -0.08 0.42 -1.34 0.00 0.00 175.55 174.21 2bk3 s ILE 238 N 1.40 0.95 -0.20 3.14 1.01 -0.86 -1.17 121.20 125.47 2bk3 s ILE 238 Ca -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2bk3 s ILE 238 Cb -0.06 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.47 2bk3 s ILE 238 CO -0.15 0.34 -0.13 -0.62 0.00 0.00 0.00 174.94 174.38 2bk3 s ASP 239 N 1.40 3.64 -0.14 3.58 -1.08 0.47 -1.46 116.67 123.08 2bk3 s ASP 239 Ca -0.01 -0.53 0.17 0.00 -0.52 0.00 0.00 52.55 51.65 2bk3 s ASP 239 Cb -0.13 -1.59 0.39 0.00 -1.46 0.00 0.00 42.92 40.12 2bk3 s ASP 239 CO -0.04 -0.01 1.27 0.00 0.52 0.00 0.00 175.17 176.91 2bk3 n GLN 240 N 4.68 2.19 0.20 4.34 6.02 0.17 -1.12 117.38 133.85 2bk3 n GLN 240 Ca -0.20 -2.62 0.09 0.00 -0.01 0.00 0.00 57.00 54.25 2bk3 n GLN 240 Cb 0.50 -1.62 0.20 0.00 1.02 0.00 0.00 30.24 30.34 2bk3 n GLN 240 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2bk3 h THR 241 N 0.92 0.41 -0.55 5.09 1.35 -1.90 -3.46 112.91 114.77 2bk3 h THR 241 Ca 0.00 -1.43 -0.59 0.00 -0.55 0.00 0.00 66.41 63.84 2bk3 h THR 241 Cb 1.17 2.08 -0.05 0.00 -1.73 0.00 0.00 68.15 69.61 2bk3 h THR 241 CO 0.10 0.22 -0.32 -0.13 -0.25 0.00 0.00 175.52 175.14 2bk3 s ARG 242 N -3.22 2.25 0.19 4.72 0.52 -1.26 -5.05 118.95 117.10 2bk3 s ARG 242 Ca 0.04 -2.04 -0.17 0.00 -0.52 0.00 0.00 55.73 53.04 2bk3 s ARG 242 Cb 0.07 -2.06 0.16 0.00 0.52 0.00 0.00 34.95 33.64 2bk3 s ARG 242 CO 0.68 -0.60 1.62 1.49 0.02 0.00 0.00 175.30 178.52 2bk3 h GLU 243 N 0.79 -0.08 -6.04 3.54 4.81 -1.98 -3.40 114.58 112.22 2bk3 h GLU 243 Ca -0.37 0.01 -0.66 0.00 -0.13 0.00 0.00 59.36 58.20 2bk3 h GLU 243 Cb 1.30 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.58 2bk3 h GLU 243 CO 0.58 -0.05 -0.60 -0.80 -0.73 0.00 0.00 179.01 177.41 2bk3 s ASN 244 N -5.18 5.46 0.18 1.04 0.01 -1.26 -4.99 114.94 110.20 2bk3 s ASN 244 Ca -0.14 0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 51.81 2bk3 s ASN 244 Cb 0.17 -1.53 -0.08 0.00 0.41 0.00 0.00 41.25 40.22 2bk3 s ASN 244 CO 0.71 0.29 1.25 -0.69 -1.51 0.00 0.00 177.10 177.15 2bk3 s VAL 245 N -1.11 3.44 -0.20 1.60 1.01 0.62 -4.84 120.40 120.92 2bk3 s VAL 245 Ca 0.20 1.19 -0.05 0.00 0.00 0.00 0.00 61.98 63.32 2bk3 s VAL 245 Cb -0.12 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2bk3 s VAL 245 CO 0.11 0.18 0.01 -0.76 0.00 0.00 0.00 175.10 174.63 2bk3 s LEU 246 N -0.09 3.32 -0.16 3.92 1.43 -0.28 -1.08 118.68 125.75 2bk3 s LEU 246 Ca 0.55 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2bk3 s LEU 246 Cb -0.34 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.05 2bk3 s LEU 246 CO 0.37 0.07 -0.20 -0.69 0.23 0.00 0.00 176.35 176.13 2bk3 s VAL 247 N 0.94 2.01 -0.02 -1.59 1.01 0.78 -0.40 120.40 123.13 2bk3 s VAL 247 Ca 0.02 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2bk3 s VAL 247 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2bk3 s VAL 247 CO 0.02 0.53 -0.12 -0.70 0.00 0.00 0.00 175.10 174.83 2bk3 s GLU 248 N 1.11 2.44 0.37 2.72 2.12 -0.32 -0.01 118.70 127.13 2bk3 s GLU 248 Ca -0.00 -0.75 0.08 0.00 0.36 0.00 0.00 54.97 54.65 2bk3 s GLU 248 Cb -0.14 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 2bk3 s GLU 248 CO -0.08 0.60 0.35 0.95 -0.54 0.00 0.00 175.26 176.54 2bk3 s THR 249 N -0.85 3.22 0.41 -1.70 -4.23 -0.76 -1.46 115.64 110.27 2bk3 s THR 249 Ca 0.14 -1.32 0.13 0.00 -1.18 0.00 0.00 61.69 59.46 2bk3 s THR 249 Cb -0.11 -3.12 0.33 0.00 1.34 0.00 0.00 72.50 70.94 2bk3 s THR 249 CO 0.04 -0.10 1.95 0.25 -0.54 0.00 0.00 174.62 176.21 2bk3 h LEU 250 N 1.11 0.44 -0.10 4.79 5.85 -0.94 0.67 115.31 127.14 2bk3 h LEU 250 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2bk3 h LEU 250 Cb 1.26 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2bk3 h LEU 250 CO 0.57 0.26 0.00 -0.46 -0.34 0.00 0.00 178.44 178.46 2bk3 n ASN 251 N -4.48 0.10 0.00 1.25 2.04 -1.26 -4.89 115.26 108.01 2bk3 n ASN 251 Ca 0.12 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.26 2bk3 n ASN 251 Cb 0.41 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.61 2bk3 n ASN 251 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 2bk3 n HIS 252 N -0.45 0.00 -1.78 -2.53 8.25 0.23 -5.02 115.22 113.92 2bk3 n HIS 252 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2bk3 n HIS 252 Cb 0.02 -0.37 0.05 0.00 1.12 0.00 0.00 29.99 30.81 2bk3 n HIS 252 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2bk3 s GLU 253 N -0.28 3.03 -0.08 -0.41 2.02 -1.26 -4.78 118.70 116.95 2bk3 s GLU 253 Ca 0.00 2.20 0.04 0.00 0.02 0.00 0.00 54.97 57.23 2bk3 s GLU 253 Cb 0.00 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 2bk3 s GLU 253 CO 0.00 -1.26 -0.21 -1.64 0.02 0.00 0.00 175.26 172.17 2bk3 s MET 254 N -3.00 2.48 -0.05 1.61 -1.94 -1.26 -1.83 119.30 115.31 2bk3 s MET 254 Ca 0.74 -0.75 0.05 0.00 -1.71 0.00 0.00 55.69 54.01 2bk3 s MET 254 Cb -0.40 -1.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 2bk3 s MET 254 CO 0.46 0.20 -0.20 0.71 -0.01 0.00 0.00 175.02 176.19 2bk3 s TYR 255 N 0.25 1.95 -0.10 -0.03 1.51 0.98 -4.20 117.35 117.71 2bk3 s TYR 255 Ca -0.12 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.39 2bk3 s TYR 255 Cb -0.16 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 2bk3 s TYR 255 CO 0.06 -0.18 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.17 2bk3 s GLU 256 N -0.05 3.07 0.13 -0.62 2.12 0.17 -0.16 118.70 123.37 2bk3 s GLU 256 Ca -0.03 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 54.48 2bk3 s GLU 256 Cb -0.12 -2.50 -0.00 0.00 0.26 0.00 0.00 34.13 31.77 2bk3 s GLU 256 CO 0.03 0.32 0.25 0.00 -0.54 0.00 0.00 175.26 175.32 2bk3 s ALA 257 N 0.05 -0.18 0.07 6.30 0.00 -0.24 -1.26 121.76 126.50 2bk3 s ALA 257 Ca -0.06 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 2bk3 s ALA 257 Cb -0.15 0.68 -0.24 0.00 0.00 0.00 0.00 23.12 23.41 2bk3 s ALA 257 CO 0.05 -0.59 1.16 0.87 0.00 0.00 0.00 175.76 177.25 2bk3 h LYS 258 N 2.62 0.59 -4.27 0.00 1.57 -1.38 0.18 116.57 115.88 2bk3 h LYS 258 Ca -0.33 -0.73 -0.13 0.00 -1.87 0.00 0.00 60.65 57.58 2bk3 h LYS 258 Cb 1.22 0.23 -0.15 0.00 0.08 0.00 0.00 32.23 33.61 2bk3 h LYS 258 CO 0.52 1.32 -0.66 0.71 -0.57 0.00 0.00 179.45 180.76 2bk3 s TYR 259 N -3.09 0.59 -0.01 -1.35 1.51 -1.08 -4.64 117.35 109.28 2bk3 s TYR 259 Ca -0.09 -1.09 0.04 0.00 -1.01 0.00 0.00 57.07 54.92 2bk3 s TYR 259 Cb 0.07 -0.40 -0.01 0.00 -0.11 0.00 0.00 41.96 41.51 2bk3 s TYR 259 CO 0.92 -0.42 -0.13 0.08 -1.11 0.00 0.00 175.55 174.88 2bk3 s VAL 260 N -3.95 1.06 -0.24 0.71 1.01 -0.38 -2.17 120.40 116.43 2bk3 s VAL 260 Ca 0.11 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2bk3 s VAL 260 Cb 0.08 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2bk3 s VAL 260 CO -0.07 0.30 0.03 -0.63 0.00 0.00 0.00 175.10 174.73 2bk3 s ILE 261 N -0.27 3.93 -0.43 2.22 1.01 -0.14 -0.50 121.20 127.03 2bk3 s ILE 261 Ca 0.04 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 2bk3 s ILE 261 Cb -0.06 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.59 2bk3 s ILE 261 CO -0.00 0.34 0.83 -0.55 0.00 0.00 0.00 174.94 175.56 2bk3 s SER 262 N 1.55 6.49 -0.40 3.58 0.15 -0.00 -0.29 113.70 124.78 2bk3 s SER 262 Ca 0.06 0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.87 2bk3 s SER 262 Cb -0.15 -2.41 0.44 0.00 -1.71 0.00 0.00 66.02 62.19 2bk3 s SER 262 CO 0.01 -0.91 1.30 0.00 1.20 0.00 0.00 173.24 174.84 2bk3 n ALA 263 N 6.78 5.25 -2.44 5.45 0.00 0.30 -1.24 120.51 134.62 2bk3 n ALA 263 Ca 0.04 -3.91 -0.24 0.00 0.00 0.00 0.00 53.44 49.34 2bk3 n ALA 263 Cb 0.48 -0.61 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 2bk3 n ALA 263 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2bk3 s ILE 264 N -4.88 2.19 0.17 0.00 -4.36 -1.25 -4.57 121.20 108.50 2bk3 s ILE 264 Ca 0.52 -2.15 -0.32 0.00 -0.26 0.00 0.00 60.65 58.44 2bk3 s ILE 264 Cb 0.42 -2.10 -0.16 0.00 1.25 0.00 0.00 42.46 41.87 2bk3 s ILE 264 CO -0.04 -0.31 1.04 -2.65 0.24 0.00 0.00 174.94 173.22 2bk3 n PRO 265 N -0.08 0.89 -0.23 0.37 -0.02 -1.26 -4.82 135.00 129.85 2bk3 n PRO 265 Ca -0.10 0.32 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 2bk3 n PRO 265 Cb 0.58 -1.73 0.12 0.00 -0.02 0.00 0.00 33.50 32.45 2bk3 n PRO 265 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2bk3 h PRO 266 N 2.84 0.11 0.00 0.52 0.11 -1.94 -0.35 132.00 133.29 2bk3 h PRO 266 Ca -0.41 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2bk3 h PRO 266 Cb 1.37 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 2bk3 h PRO 266 CO 0.67 0.07 -0.10 0.00 -0.21 0.00 0.00 178.00 178.43 2bk3 h THR 267 N 0.11 0.54 0.00 -1.15 1.03 -1.76 -2.07 112.91 109.61 2bk3 h THR 267 Ca 0.36 -0.47 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 2bk3 h THR 267 Cb 0.61 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 2bk3 h THR 267 CO -0.59 0.10 0.00 0.18 -0.01 0.00 0.00 175.52 175.20 2bk3 n LEU 268 N -3.64 0.21 0.34 0.00 4.77 -0.14 -1.66 117.00 116.88 2bk3 n LEU 268 Ca -0.02 0.54 0.21 0.00 -0.03 0.00 0.00 56.01 56.71 2bk3 n LEU 268 Cb 0.22 -0.50 1.13 0.00 -2.33 0.00 0.00 43.42 41.93 2bk3 n LEU 268 CO 0.29 -0.27 1.17 1.23 -1.33 0.00 0.00 177.39 178.49 2bk3 h GLY 269 N 3.07 0.00 2.00 -0.72 0.00 -1.41 -1.55 103.07 104.46 2bk3 h GLY 269 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2bk3 h GLY 269 CO 0.00 0.00 -0.06 -0.33 0.00 0.00 0.00 176.54 176.15 2bk3 h MET 270 N 0.00 0.00 0.00 4.80 2.86 -1.52 -2.25 114.93 118.82 2bk3 h MET 270 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2bk3 h MET 270 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2bk3 h MET 270 CO 0.00 0.06 0.00 1.63 1.06 0.00 0.00 176.91 179.66 2bk3 n LYS 271 N -3.54 0.47 -4.59 1.72 5.02 -0.58 -4.71 118.16 111.94 2bk3 n LYS 271 Ca -0.02 0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 2bk3 n LYS 271 Cb 0.18 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.57 2bk3 n LYS 271 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bk3 s ILE 272 N -2.41 3.57 -0.13 -0.18 1.01 -0.85 -4.59 121.20 117.62 2bk3 s ILE 272 Ca 0.27 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.23 2bk3 s ILE 272 Cb 0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2bk3 s ILE 272 CO 0.34 0.53 0.56 -1.00 0.00 0.00 0.00 174.94 175.38 2bk3 s HIS 273 N 0.01 3.49 -0.09 3.97 3.76 0.12 -4.93 115.29 121.62 2bk3 s HIS 273 Ca -0.01 0.97 -0.01 0.00 -0.15 0.00 0.00 55.06 55.86 2bk3 s HIS 273 Cb -0.14 -2.67 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 2bk3 s HIS 273 CO 0.03 0.06 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.90 2bk3 s PHE 274 N 0.98 3.08 -0.12 1.40 0.40 -1.26 -2.02 117.98 120.44 2bk3 s PHE 274 Ca 0.29 0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.70 2bk3 s PHE 274 Cb -0.16 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.63 2bk3 s PHE 274 CO 0.12 0.38 0.02 1.21 0.70 0.00 0.00 175.22 177.65 2bk3 s ASN 275 N -0.75 2.12 0.97 1.36 2.47 -0.53 -3.44 114.94 117.14 2bk3 s ASN 275 Ca 0.12 -0.39 -0.13 0.00 0.42 0.00 0.00 52.86 52.88 2bk3 s ASN 275 Cb -0.11 -0.49 0.17 0.00 -1.45 0.00 0.00 41.25 39.37 2bk3 s ASN 275 CO 0.02 -0.24 1.12 -2.16 -3.72 0.00 0.00 177.10 172.12 2bk3 s PRO 276 N 1.94 0.64 0.58 0.43 0.04 -1.26 0.43 135.00 137.80 2bk3 s PRO 276 Ca 0.03 0.34 -0.19 0.00 0.04 0.00 0.00 61.00 61.22 2bk3 s PRO 276 Cb -0.14 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2bk3 s PRO 276 CO -0.06 -2.55 1.01 -2.30 0.04 0.00 0.00 177.00 173.13 2bk3 n PRO 277 N -4.02 1.01 -1.56 0.56 -0.02 -1.22 -4.94 135.00 124.80 2bk3 n PRO 277 Ca 0.06 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 2bk3 n PRO 277 Cb 0.58 -2.19 0.07 0.00 -0.02 0.00 0.00 33.50 31.94 2bk3 n PRO 277 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2bk3 n LEU 278 N -0.69 4.31 -4.68 2.45 4.77 -1.26 -4.96 117.00 116.94 2bk3 n LEU 278 Ca 0.13 0.76 -0.35 0.00 -0.03 0.00 0.00 56.01 56.52 2bk3 n LEU 278 Cb 0.46 -1.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.21 2bk3 n LEU 278 CO 0.50 -1.69 0.73 -2.65 -1.33 0.00 0.00 177.39 172.95 2bk3 n PRO 279 N -1.56 0.58 -0.24 3.23 -0.02 -1.26 -4.65 135.00 131.07 2bk3 n PRO 279 Ca 0.14 0.26 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 2bk3 n PRO 279 Cb 0.48 -2.40 0.16 0.00 -0.02 0.00 0.00 33.50 31.73 2bk3 n PRO 279 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2bk3 h MET 280 N -0.25 0.45 -0.44 -0.52 1.85 -1.99 -1.02 114.93 113.00 2bk3 h MET 280 Ca -0.48 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 58.53 2bk3 h MET 280 Cb 1.32 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.23 2bk3 h MET 280 CO 0.48 0.30 0.07 0.52 -0.40 0.00 0.00 176.91 177.88 2bk3 h MET 281 N 0.46 0.73 -0.39 0.39 2.86 -2.00 -2.07 114.93 114.93 2bk3 h MET 281 Ca 0.38 -0.20 -0.15 0.00 -2.06 0.00 0.00 59.70 57.67 2bk3 h MET 281 Cb 0.53 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2bk3 h MET 281 CO -0.36 0.76 -0.33 -0.09 1.06 0.00 0.00 176.91 177.95 2bk3 h ARG 282 N 0.59 0.90 -0.72 1.72 2.43 -1.85 -0.15 114.38 117.30 2bk3 h ARG 282 Ca 0.13 -0.46 0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2bk3 h ARG 282 Cb 0.39 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 2bk3 h ARG 282 CO 0.01 1.11 0.09 -0.97 -1.51 0.00 0.00 179.97 178.70 2bk3 h ASN 283 N 0.72 -0.16 0.51 -3.80 -1.24 -1.00 -2.17 115.58 108.43 2bk3 h ASN 283 Ca 0.07 0.17 -0.30 0.00 0.71 0.00 0.00 56.30 56.95 2bk3 h ASN 283 Cb 0.92 0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2bk3 h ASN 283 CO 0.08 -0.11 -1.41 1.56 -1.29 0.00 0.00 177.43 176.27 2bk3 h GLN 284 N 0.18 0.29 -0.69 6.67 4.20 -1.34 -3.35 115.11 121.07 2bk3 h GLN 284 Ca 0.40 -0.50 0.11 0.00 0.06 0.00 0.00 58.65 58.72 2bk3 h GLN 284 Cb 0.70 0.19 -0.08 0.00 0.30 0.00 0.00 27.48 28.58 2bk3 h GLN 284 CO -0.57 1.20 0.29 1.98 -0.67 0.00 0.00 178.83 181.06 2bk3 h MET 285 N 0.08 0.47 0.00 1.46 4.05 -0.48 -2.26 114.93 118.24 2bk3 h MET 285 Ca -0.20 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2bk3 h MET 285 Cb 2.02 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.71 2bk3 h MET 285 CO 0.19 0.31 0.00 0.44 0.23 0.00 0.00 176.91 178.08 2bk3 n ILE 286 N -4.96 0.30 0.73 1.77 -5.35 -0.87 -0.75 119.36 110.24 2bk3 n ILE 286 Ca 0.11 0.07 0.10 0.00 -0.27 0.00 0.00 62.75 62.77 2bk3 n ILE 286 Cb 0.32 -0.80 0.11 0.00 -1.74 0.00 0.00 39.64 37.53 2bk3 n ILE 286 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2bk3 n THR 287 N -1.17 0.11 0.06 7.28 -2.24 -0.85 -4.31 114.28 113.16 2bk3 n THR 287 Ca 0.10 -0.56 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 2bk3 n THR 287 Cb 0.10 1.33 0.06 0.00 -2.10 0.00 0.00 70.33 69.72 2bk3 n THR 287 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2bk3 n ARG 288 N 1.19 1.54 -3.53 -0.78 1.74 0.07 -4.89 116.66 112.00 2bk3 n ARG 288 Ca 0.13 -1.38 -0.27 0.00 -0.77 0.00 0.00 57.85 55.56 2bk3 n ARG 288 Cb 0.53 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 30.73 2bk3 n ARG 288 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2bk3 n VAL 289 N 0.18 0.05 -1.48 1.55 0.24 -1.24 -4.54 118.33 113.09 2bk3 n VAL 289 Ca 0.05 -4.10 -0.30 0.00 -2.04 0.00 0.00 64.34 57.95 2bk3 n VAL 289 Cb 0.26 -1.90 0.10 0.00 -1.47 0.00 0.00 33.84 30.84 2bk3 n VAL 289 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2bk3 s PRO 290 N -0.80 1.84 0.14 7.34 0.04 -1.25 -4.34 135.00 137.96 2bk3 s PRO 290 Ca 0.31 0.65 0.03 0.00 0.04 0.00 0.00 61.00 62.03 2bk3 s PRO 290 Cb 0.04 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2bk3 s PRO 290 CO -0.16 -1.80 0.23 -0.51 0.04 0.00 0.00 177.00 174.80 2bk3 s LEU 291 N -5.89 4.17 0.00 -3.56 1.02 -1.26 -1.07 118.68 112.09 2bk3 s LEU 291 Ca 0.62 0.09 -0.15 0.00 0.02 0.00 0.00 54.13 54.71 2bk3 s LEU 291 Cb -0.15 -2.76 0.22 0.00 0.02 0.00 0.00 46.19 43.52 2bk3 s LEU 291 CO 0.55 0.07 0.72 0.61 0.02 0.00 0.00 176.35 178.32 2bk3 n GLY 292 N -0.37 -2.90 3.03 -3.19 0.00 -0.90 -4.74 105.19 96.12 2bk3 n GLY 292 Ca -0.07 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2bk3 n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk3 s SER 293 N -3.39 2.37 -0.13 1.61 0.01 -0.61 -2.03 113.70 111.53 2bk3 s SER 293 Ca 0.48 -0.41 -0.20 0.00 1.31 0.00 0.00 55.95 57.14 2bk3 s SER 293 Cb -0.05 -1.04 0.05 0.00 0.21 0.00 0.00 66.02 65.18 2bk3 s SER 293 CO 0.38 -0.01 0.51 0.54 0.41 0.00 0.00 173.24 175.06 2bk3 s VAL 294 N 1.13 0.01 -0.18 3.43 0.11 -1.26 -0.73 120.40 122.91 2bk3 s VAL 294 Ca -0.04 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 2bk3 s VAL 294 Cb -0.14 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2bk3 s VAL 294 CO -0.03 -0.06 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.96 2bk3 s ILE 295 N -0.35 3.15 -0.20 7.04 1.01 -0.68 -2.04 121.20 129.13 2bk3 s ILE 295 Ca -0.05 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 2bk3 s ILE 295 Cb -0.03 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2bk3 s ILE 295 CO 0.03 0.47 0.49 -0.75 0.00 0.00 0.00 174.94 175.19 2bk3 s LYS 296 N 1.04 4.18 -0.08 2.79 2.20 -0.64 -1.40 119.74 127.84 2bk3 s LYS 296 Ca -0.00 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 56.00 2bk3 s LYS 296 Cb -0.15 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2bk3 s LYS 296 CO -0.01 -0.14 -0.17 0.00 -0.36 0.00 0.00 175.35 174.67 2bk3 s ILE 298 N 0.49 1.80 -0.22 0.00 1.09 0.43 -0.89 121.20 123.90 2bk3 s ILE 298 Ca -0.15 -0.99 -0.10 0.00 -1.10 0.00 0.00 60.65 58.31 2bk3 s ILE 298 Cb -0.16 -1.77 -0.05 0.00 -1.06 0.00 0.00 42.46 39.42 2bk3 s ILE 298 CO 0.06 0.30 0.14 -0.69 -0.10 0.00 0.00 174.94 174.64 2bk3 s VAL 299 N 1.35 5.25 -0.01 2.92 1.01 -0.55 -1.65 120.40 128.72 2bk3 s VAL 299 Ca 0.01 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 2bk3 s VAL 299 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2bk3 s VAL 299 CO -0.10 0.38 0.20 -0.31 0.00 0.00 0.00 175.10 175.27 2bk3 s TYR 300 N 0.83 3.56 0.14 5.22 1.51 -0.05 -1.15 117.35 127.41 2bk3 s TYR 300 Ca 0.07 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.55 2bk3 s TYR 300 Cb -0.13 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2bk3 s TYR 300 CO 0.02 0.64 -0.02 0.71 -1.11 0.00 0.00 175.55 175.80 2bk3 s TYR 301 N -1.31 1.05 0.20 2.71 1.51 -0.21 -0.68 117.35 120.63 2bk3 s TYR 301 Ca 0.27 -1.01 -0.09 0.00 -1.01 0.00 0.00 57.07 55.23 2bk3 s TYR 301 Cb -0.13 -0.60 0.14 0.00 -0.11 0.00 0.00 41.96 41.26 2bk3 s TYR 301 CO 0.18 -0.23 1.77 -0.22 -1.11 0.00 0.00 175.55 175.93 2bk3 h LYS 302 N 2.81 1.13 -4.29 -0.62 3.64 -1.85 -3.32 116.57 114.07 2bk3 h LYS 302 Ca -0.36 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 58.67 2bk3 h LYS 302 Cb 1.19 -0.18 -0.15 0.00 -0.41 0.00 0.00 32.23 32.67 2bk3 h LYS 302 CO 0.63 0.93 -0.68 -1.21 -2.27 0.00 0.00 179.45 176.85 2bk3 s GLU 303 N -5.54 0.62 -1.43 1.90 2.02 -1.26 -4.72 118.70 110.29 2bk3 s GLU 303 Ca -0.12 -1.19 -0.13 0.00 0.02 0.00 0.00 54.97 53.55 2bk3 s GLU 303 Cb 0.15 0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.49 2bk3 s GLU 303 CO 0.83 -0.09 2.48 -0.35 0.02 0.00 0.00 175.26 178.15 2bk3 n PRO 304 N 0.20 3.02 -0.01 0.39 -0.04 -1.26 -4.77 135.00 132.53 2bk3 n PRO 304 Ca -0.14 -2.31 0.20 0.00 -0.04 0.00 0.00 63.50 61.21 2bk3 n PRO 304 Cb 0.61 -3.02 0.69 0.00 -0.04 0.00 0.00 33.50 31.74 2bk3 n PRO 304 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2bk3 h PHE 305 N 5.79 0.00 -0.50 0.54 -0.00 -1.98 -1.50 116.94 119.29 2bk3 h PHE 305 Ca 0.67 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.71 2bk3 h PHE 305 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.39 2bk3 h PHE 305 CO 1.64 0.00 0.34 0.11 -0.00 0.00 0.00 178.31 180.40 2bk3 h TRP 306 N 0.00 0.42 -0.38 6.09 0.09 -1.86 -2.29 115.95 118.02 2bk3 h TRP 306 Ca 0.26 0.01 -0.00 0.00 0.09 0.00 0.00 58.89 59.24 2bk3 h TRP 306 Cb 1.03 -0.14 -0.02 0.00 0.08 0.00 0.00 29.16 30.12 2bk3 h TRP 306 CO 0.00 0.22 0.22 0.00 0.09 0.00 0.00 178.44 178.97 2bk3 h ARG 307 N 0.42 0.51 0.00 0.12 3.08 -1.15 -1.76 114.38 115.60 2bk3 h ARG 307 Ca 0.22 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2bk3 h ARG 307 Cb 0.34 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2bk3 h ARG 307 CO -0.06 0.36 -0.09 0.87 -1.07 0.00 0.00 179.97 179.99 2bk3 h LYS 308 N 0.52 0.00 -0.60 0.04 1.57 -1.59 -0.92 116.57 115.59 2bk3 h LYS 308 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2bk3 h LYS 308 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2bk3 h LYS 308 CO -0.03 0.09 0.00 1.63 -0.57 0.00 0.00 179.45 180.58 2bk3 n LYS 309 N -3.34 2.82 -3.20 3.15 5.02 -0.73 -4.93 118.16 116.96 2bk3 n LYS 309 Ca -0.01 -2.09 -0.21 0.00 -2.02 0.00 0.00 58.31 53.99 2bk3 n LYS 309 Cb 0.28 -1.65 0.05 0.00 -0.02 0.00 0.00 35.03 33.70 2bk3 n LYS 309 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bk3 n ASP 310 N 0.88 -5.78 -4.48 4.39 2.03 -0.35 -5.00 116.55 108.24 2bk3 n ASP 310 Ca 0.19 -0.36 -0.33 0.00 0.52 0.00 0.00 54.79 54.80 2bk3 n ASP 310 Cb 0.63 -4.51 -0.13 0.00 -0.72 0.00 0.00 41.12 36.39 2bk3 n ASP 310 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2bk3 s TYR 311 N -3.20 2.89 -0.22 -0.67 4.12 -0.78 -1.37 117.35 118.12 2bk3 s TYR 311 Ca 0.39 -0.30 0.17 0.00 0.02 0.00 0.00 57.07 57.36 2bk3 s TYR 311 Cb -0.17 -1.81 0.16 0.00 -1.52 0.00 0.00 41.96 38.62 2bk3 s TYR 311 CO 0.49 0.04 1.50 0.00 0.02 0.00 0.00 175.55 177.60 2bk3 n GLY 313 N 1.16 1.35 3.69 0.00 0.00 -1.26 -4.37 105.19 105.76 2bk3 n GLY 313 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2bk3 n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bk3 s THR 314 N -2.00 4.83 -0.04 2.61 2.01 -1.26 -3.81 115.64 117.98 2bk3 s THR 314 Ca 0.00 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.97 2bk3 s THR 314 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2bk3 s THR 314 CO 0.00 0.05 -0.09 -0.04 -0.69 0.00 0.00 174.62 173.85 2bk3 s MET 315 N 1.81 1.15 -0.29 4.92 1.00 -1.12 -1.61 119.30 125.16 2bk3 s MET 315 Ca 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 55.69 55.86 2bk3 s MET 315 Cb -0.18 -1.04 0.04 0.00 0.00 0.00 0.00 34.83 33.65 2bk3 s MET 315 CO 0.19 0.03 -0.01 0.42 0.00 0.00 0.00 175.02 175.65 2bk3 s ILE 316 N 0.56 3.04 -0.26 2.53 1.01 0.42 -1.78 121.20 126.72 2bk3 s ILE 316 Ca -0.09 -1.24 0.02 0.00 0.00 0.00 0.00 60.65 59.33 2bk3 s ILE 316 Cb -0.13 -2.68 0.05 0.00 0.01 0.00 0.00 42.46 39.71 2bk3 s ILE 316 CO 0.01 -0.02 -0.10 -0.63 0.00 0.00 0.00 174.94 174.21 2bk3 s ILE 317 N 1.29 2.36 0.19 2.92 1.01 -0.11 -0.66 121.20 128.21 2bk3 s ILE 317 Ca -0.03 -1.48 -0.18 0.00 0.00 0.00 0.00 60.65 58.95 2bk3 s ILE 317 Cb -0.19 -2.33 -0.08 0.00 0.01 0.00 0.00 42.46 39.87 2bk3 s ILE 317 CO -0.02 0.03 0.67 -0.62 0.00 0.00 0.00 174.94 175.00 2bk3 s ASP 318 N 1.16 7.01 0.00 3.58 -1.08 -0.38 -4.47 116.67 122.50 2bk3 s ASP 318 Ca -0.06 1.33 0.00 0.00 -0.52 0.00 0.00 52.55 53.30 2bk3 s ASP 318 Cb -0.19 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2bk3 s ASP 318 CO -0.05 0.07 0.00 0.61 0.52 0.00 0.00 175.17 176.32 2bk3 n GLY 319 N 0.83 3.49 0.31 2.66 0.00 -1.26 -4.68 105.19 106.54 2bk3 n GLY 319 Ca -0.04 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2bk3 n GLY 319 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bk3 h GLU 320 N 0.00 0.70 -0.11 1.61 4.57 -2.02 -3.03 114.58 116.29 2bk3 h GLU 320 Ca 0.00 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 2bk3 h GLU 320 Cb 0.00 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2bk3 h GLU 320 CO 0.00 0.57 -0.37 0.93 -1.18 0.00 0.00 179.01 178.97 2bk3 h GLU 321 N 0.70 0.24 -6.31 1.92 3.07 -2.01 -3.43 114.58 108.76 2bk3 h GLU 321 Ca 0.17 -0.10 -0.55 0.00 -0.50 0.00 0.00 59.36 58.38 2bk3 h GLU 321 Cb 0.13 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2bk3 h GLU 321 CO -0.02 0.58 0.92 0.00 -1.40 0.00 0.00 179.01 179.09 2bk3 s ALA 322 N -4.23 3.61 0.31 3.43 0.00 -1.15 -4.92 121.76 118.81 2bk3 s ALA 322 Ca -0.05 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.78 2bk3 s ALA 322 Cb 0.14 -3.64 0.50 0.00 0.00 0.00 0.00 23.12 20.12 2bk3 s ALA 322 CO 0.77 -1.09 1.83 -1.00 0.00 0.00 0.00 175.76 176.27 2bk3 h PRO 323 N 8.35 0.61 -5.56 0.00 0.13 -1.89 -3.43 132.00 130.21 2bk3 h PRO 323 Ca -0.37 -0.15 -0.66 0.00 -0.87 0.00 0.00 66.00 63.96 2bk3 h PRO 323 Cb 1.17 -0.08 -0.25 0.00 0.13 0.00 0.00 31.00 31.97 2bk3 h PRO 323 CO 0.93 0.64 -0.74 0.08 -0.23 0.00 0.00 178.00 178.68 2bk3 s VAL 324 N -4.95 3.27 -0.56 1.56 1.01 -1.26 -4.37 120.40 115.10 2bk3 s VAL 324 Ca -0.08 -0.60 0.21 0.00 0.00 0.00 0.00 61.98 61.51 2bk3 s VAL 324 Cb 0.15 -2.37 -0.27 0.00 0.00 0.00 0.00 36.38 33.89 2bk3 s VAL 324 CO 0.78 0.54 0.70 0.00 0.00 0.00 0.00 175.10 177.12 2bk3 n ALA 325 N 3.20 3.87 -3.41 5.51 0.00 -1.19 -4.70 120.51 123.78 2bk3 n ALA 325 Ca -0.18 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 2bk3 n ALA 325 Cb 0.53 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 2bk3 n ALA 325 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2bk3 s TYR 326 N -3.17 -0.53 0.10 0.00 5.04 -1.26 -0.93 117.35 116.59 2bk3 s TYR 326 Ca 0.01 1.26 0.03 0.00 -2.44 0.00 0.00 57.07 55.93 2bk3 s TYR 326 Cb 0.15 0.20 -0.04 0.00 0.35 0.00 0.00 41.96 42.62 2bk3 s TYR 326 CO 0.86 -0.26 -0.08 0.95 -1.34 0.00 0.00 175.55 175.68 2bk3 s THR 327 N 0.45 0.80 0.03 4.34 -4.23 -0.73 -2.21 115.64 114.08 2bk3 s THR 327 Ca -0.02 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2bk3 s THR 327 Cb -0.04 -1.50 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 2bk3 s THR 327 CO -0.02 -0.73 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.52 2bk3 s LEU 328 N -2.75 2.24 0.03 4.79 1.43 -0.18 -2.80 118.68 121.44 2bk3 s LEU 328 Ca 0.08 -0.51 -0.33 0.00 -1.03 0.00 0.00 54.13 52.34 2bk3 s LEU 328 Cb 0.01 -0.05 -0.12 0.00 0.03 0.00 0.00 46.19 46.07 2bk3 s LEU 328 CO -0.02 -0.24 1.80 -0.67 0.23 0.00 0.00 176.35 177.45 2bk3 n ASP 329 N 1.58 3.54 -0.58 2.29 -0.08 -1.25 -0.92 116.55 121.12 2bk3 n ASP 329 Ca -0.23 1.00 0.06 0.00 -1.51 0.00 0.00 54.79 54.11 2bk3 n ASP 329 Cb 0.55 -1.43 0.16 0.00 2.34 0.00 0.00 41.12 42.74 2bk3 n ASP 329 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2bk3 n ASP 330 N 5.66 3.02 -4.70 1.67 2.03 0.71 -4.58 116.55 120.35 2bk3 n ASP 330 Ca 0.20 -2.36 -0.41 0.00 0.52 0.00 0.00 54.79 52.73 2bk3 n ASP 330 Cb 0.32 -0.30 0.01 0.00 -0.72 0.00 0.00 41.12 40.43 2bk3 n ASP 330 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2bk3 n THR 331 N -0.06 2.40 -1.49 5.18 -1.04 -1.19 -4.59 114.28 113.49 2bk3 n THR 331 Ca 0.13 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.29 2bk3 n THR 331 Cb 0.55 -1.57 0.09 0.00 -1.82 0.00 0.00 70.33 67.57 2bk3 n THR 331 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2bk3 s LYS 332 N -2.12 2.20 0.57 -2.82 -0.14 -0.82 -4.89 119.74 111.72 2bk3 s LYS 332 Ca 0.59 1.81 0.26 0.00 -1.36 0.00 0.00 55.97 57.28 2bk3 s LYS 332 Cb -0.52 -1.84 1.66 0.00 -1.68 0.00 0.00 37.83 35.45 2bk3 s LYS 332 CO 0.59 -1.80 2.21 -1.00 -0.76 0.00 0.00 175.35 174.60 2bk3 h PRO 333 N -0.15 0.00 0.00 -1.68 0.13 -1.93 0.59 132.00 128.96 2bk3 h PRO 333 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2bk3 h PRO 333 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2bk3 h PRO 333 CO 0.50 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.22 2bk3 h GLU 334 N 0.00 0.00 0.00 0.86 3.07 -2.02 -3.47 114.58 113.02 2bk3 h GLU 334 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2bk3 h GLU 334 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2bk3 h GLU 334 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2bk3 n GLY 335 N 0.04 0.68 3.98 -3.84 0.00 0.20 -5.08 105.19 101.17 2bk3 n GLY 335 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2bk3 n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk3 s ASN 336 N -2.71 4.93 -1.44 1.61 2.20 -1.26 -4.61 114.94 113.66 2bk3 s ASN 336 Ca 0.00 -0.99 -0.06 0.00 -0.94 0.00 0.00 52.86 50.87 2bk3 s ASN 336 Cb 0.00 0.30 0.04 0.00 -2.00 0.00 0.00 41.25 39.59 2bk3 s ASN 336 CO 0.00 -1.22 0.70 -1.22 -2.94 0.00 0.00 177.10 172.42 2bk3 n TYR 337 N -2.03 -1.91 -1.57 1.54 4.02 -1.26 -1.95 117.16 114.00 2bk3 n TYR 337 Ca 0.09 0.82 -0.51 0.00 -0.01 0.00 0.00 57.90 58.29 2bk3 n TYR 337 Cb 0.63 -3.92 -0.05 0.00 -0.02 0.00 0.00 39.34 35.98 2bk3 n TYR 337 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bk3 n ALA 338 N -4.43 -1.20 -3.50 -0.72 0.00 -1.25 -4.20 120.51 105.20 2bk3 n ALA 338 Ca -0.17 0.49 -0.17 0.00 0.00 0.00 0.00 53.44 53.59 2bk3 n ALA 338 Cb 0.62 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 2bk3 n ALA 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bk3 s ALA 339 N 0.02 -1.73 -0.19 0.00 0.00 -1.26 -1.04 121.76 117.56 2bk3 s ALA 339 Ca 0.78 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.93 2bk3 s ALA 339 Cb -0.93 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 2bk3 s ALA 339 CO 0.51 -0.41 -0.06 0.42 0.00 0.00 0.00 175.76 176.22 2bk3 s ILE 340 N -1.46 3.41 -0.03 0.00 -1.09 -0.30 -0.21 121.20 121.51 2bk3 s ILE 340 Ca -0.10 -0.50 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 2bk3 s ILE 340 Cb -0.00 -2.52 -0.05 0.00 -1.58 0.00 0.00 42.46 38.31 2bk3 s ILE 340 CO 0.07 0.46 0.44 -0.32 -1.23 0.00 0.00 174.94 174.36 2bk3 s MET 341 N 1.03 4.08 0.03 2.79 -2.45 -0.10 -1.48 119.30 123.21 2bk3 s MET 341 Ca 0.00 0.44 -0.07 0.00 -1.25 0.00 0.00 55.69 54.82 2bk3 s MET 341 Cb -0.15 -3.29 -0.01 0.00 1.25 0.00 0.00 34.83 32.64 2bk3 s MET 341 CO -0.00 0.52 0.13 0.20 1.05 0.00 0.00 175.02 176.91 2bk3 s GLY 342 N -0.53 0.12 -0.11 2.11 0.00 -0.07 -1.02 107.32 107.82 2bk3 s GLY 342 Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 2bk3 s GLY 342 CO 0.13 -0.57 -0.08 -1.36 0.00 0.00 0.00 173.10 171.22 2bk3 s PHE 343 N -2.44 2.92 -0.30 1.90 2.99 -0.94 -1.27 117.98 120.85 2bk3 s PHE 343 Ca -0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 56.93 56.47 2bk3 s PHE 343 Cb -0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 43.02 41.13 2bk3 s PHE 343 CO -0.04 0.05 0.23 0.42 -0.00 0.00 0.00 175.22 175.89 2bk3 s ILE 344 N -0.08 5.28 -0.02 0.64 1.01 -0.49 -3.18 121.20 124.35 2bk3 s ILE 344 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.81 2bk3 s ILE 344 Cb -0.13 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2bk3 s ILE 344 CO 0.03 0.16 -0.09 -0.76 0.00 0.00 0.00 174.94 174.28 2bk3 s LEU 345 N 1.80 3.02 0.00 2.97 1.43 -1.26 -1.69 118.68 124.96 2bk3 s LEU 345 Ca 0.08 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2bk3 s LEU 345 Cb -0.16 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2bk3 s LEU 345 CO 0.11 0.32 0.00 0.00 0.23 0.00 0.00 176.35 177.01 2bk3 n ALA 346 N 1.91 0.00 0.24 4.21 0.00 0.09 -1.64 120.51 125.32 2bk3 n ALA 346 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.35 2bk3 n ALA 346 Cb 0.53 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.57 2bk3 n ALA 346 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2bk3 h HIS 347 N 0.00 0.00 -0.09 0.00 2.07 -1.91 -1.69 115.15 113.53 2bk3 h HIS 347 Ca 0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2bk3 h HIS 347 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2bk3 h HIS 347 CO 0.00 0.12 -0.34 0.87 -3.07 0.00 0.00 177.93 175.51 2bk3 h LYS 348 N 0.00 0.18 -0.70 5.12 1.57 -1.67 -0.32 116.57 120.75 2bk3 h LYS 348 Ca -0.00 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2bk3 h LYS 348 Cb 0.23 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2bk3 h LYS 348 CO 0.02 0.50 0.32 0.00 -0.57 0.00 0.00 179.45 179.72 2bk3 h ALA 349 N 1.50 0.90 0.03 3.86 0.00 -1.30 -0.42 119.26 123.83 2bk3 h ALA 349 Ca 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2bk3 h ALA 349 Cb 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2bk3 h ALA 349 CO 0.05 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 2bk3 h ARG 350 N 0.98 -0.03 -0.13 0.00 -0.00 -1.34 -2.70 114.38 111.16 2bk3 h ARG 350 Ca 0.24 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.72 2bk3 h ARG 350 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.12 2bk3 h ARG 350 CO -0.03 0.16 0.07 -0.22 0.00 0.00 0.00 179.97 179.95 2bk3 h LYS 351 N -0.22 0.18 0.00 0.04 3.64 -0.93 -3.27 116.57 116.01 2bk3 h LYS 351 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2bk3 h LYS 351 Cb 0.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2bk3 h LYS 351 CO 0.01 0.22 -0.30 1.28 -2.27 0.00 0.00 179.45 178.39 2bk3 n LEU 352 N -4.93 0.34 0.31 5.20 4.77 -0.18 -3.44 117.00 119.07 2bk3 n LEU 352 Ca -0.05 0.24 0.19 0.00 -0.03 0.00 0.00 56.01 56.36 2bk3 n LEU 352 Cb 0.08 -0.34 1.02 0.00 -2.33 0.00 0.00 43.42 41.85 2bk3 n LEU 352 CO 0.34 0.04 1.13 0.00 -1.33 0.00 0.00 177.39 177.57 2bk3 h ALA 353 N 2.93 1.20 0.00 -1.18 0.00 -1.52 -2.34 119.26 118.34 2bk3 h ALA 353 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2bk3 h ALA 353 Cb 0.54 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2bk3 h ALA 353 CO 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 179.25 179.11 2bk3 h ARG 354 N 0.00 0.00 -7.46 0.00 3.08 -1.75 -3.45 114.38 104.80 2bk3 h ARG 354 Ca -0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 2bk3 h ARG 354 Cb 0.09 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.26 2bk3 h ARG 354 CO 0.00 0.16 0.31 -0.51 -1.07 0.00 0.00 179.97 178.86 2bk3 s LEU 355 N -8.42 2.24 0.65 3.04 1.43 -0.88 -5.06 118.68 111.67 2bk3 s LEU 355 Ca -0.04 1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 2bk3 s LEU 355 Cb 0.15 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 2bk3 s LEU 355 CO 0.67 -2.33 1.04 0.42 0.23 0.00 0.00 176.35 176.38 2bk3 s THR 356 N -3.23 4.20 0.24 5.49 -4.23 -1.26 -4.92 115.64 111.93 2bk3 s THR 356 Ca 0.63 0.67 -0.04 0.00 -1.18 0.00 0.00 61.69 61.76 2bk3 s THR 356 Cb -0.15 -3.70 0.21 0.00 1.34 0.00 0.00 72.50 70.20 2bk3 s THR 356 CO 0.54 -0.91 1.75 0.50 -0.54 0.00 0.00 174.62 175.95 2bk3 h LYS 357 N -0.43 0.49 -0.56 3.99 3.64 -1.96 -1.27 116.57 120.47 2bk3 h LYS 357 Ca -0.45 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 2bk3 h LYS 357 Cb 1.22 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2bk3 h LYS 357 CO 0.63 0.33 -0.04 0.93 -2.27 0.00 0.00 179.45 179.02 2bk3 h GLU 358 N 0.51 1.00 -0.76 1.90 3.07 -1.99 -1.21 114.58 117.10 2bk3 h GLU 358 Ca 0.40 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 58.88 2bk3 h GLU 358 Cb 0.56 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 2bk3 h GLU 358 CO -0.36 1.01 0.28 0.93 -1.40 0.00 0.00 179.01 179.47 2bk3 h GLU 359 N 0.91 1.16 -0.34 2.33 5.08 -1.82 -2.00 114.58 119.90 2bk3 h GLU 359 Ca 0.16 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2bk3 h GLU 359 Cb 0.59 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2bk3 h GLU 359 CO 0.04 0.96 -0.02 0.00 -1.00 0.00 0.00 179.01 178.99 2bk3 h ARG 360 N 1.12 0.61 -0.74 2.33 3.08 -1.00 -2.18 114.38 117.59 2bk3 h ARG 360 Ca 0.25 -0.20 0.10 0.00 0.07 0.00 0.00 59.98 60.20 2bk3 h ARG 360 Cb 0.25 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 2bk3 h ARG 360 CO -0.02 0.74 0.38 1.25 -1.07 0.00 0.00 179.97 181.25 2bk3 h LEU 361 N 0.41 0.50 -0.27 3.04 5.85 -1.13 -1.40 115.31 122.30 2bk3 h LEU 361 Ca 0.09 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2bk3 h LEU 361 Cb 0.48 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2bk3 h LEU 361 CO 0.02 0.28 0.13 0.50 -0.34 0.00 0.00 178.44 179.03 2bk3 h LYS 362 N 0.63 0.40 -0.62 1.25 3.64 -1.19 -1.33 116.57 119.35 2bk3 h LYS 362 Ca 0.36 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2bk3 h LYS 362 Cb 0.39 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2bk3 h LYS 362 CO -0.27 0.39 0.26 0.87 -2.27 0.00 0.00 179.45 178.44 2bk3 h LYS 363 N 0.30 0.90 -0.14 1.90 1.57 -1.07 -1.98 116.57 118.05 2bk3 h LYS 363 Ca 0.09 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2bk3 h LYS 363 Cb 0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2bk3 h LYS 363 CO -0.01 0.72 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.43 2bk3 h LEU 364 N 0.89 0.33 -0.82 2.94 4.07 -1.09 -1.97 115.31 119.66 2bk3 h LEU 364 Ca 0.21 -0.43 0.03 0.00 0.08 0.00 0.00 57.88 57.77 2bk3 h LEU 364 Cb 0.15 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 41.75 2bk3 h LEU 364 CO -0.02 0.69 0.53 0.00 -1.08 0.00 0.00 178.44 178.56 2bk3 h GLU 366 N 1.03 0.84 0.07 0.00 5.08 -1.35 -0.28 114.58 119.97 2bk3 h GLU 366 Ca 0.32 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bk3 h GLU 366 Cb -0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2bk3 h GLU 366 CO -0.11 0.95 -0.03 1.25 -1.00 0.00 0.00 179.01 180.07 2bk3 h LEU 367 N 0.74 -0.07 -0.92 1.33 5.85 -0.88 -2.80 115.31 118.56 2bk3 h LEU 367 Ca 0.11 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2bk3 h LEU 367 Cb 0.69 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2bk3 h LEU 367 CO 0.05 0.07 0.44 1.88 -0.34 0.00 0.00 178.44 180.54 2bk3 h TYR 368 N -0.22 1.19 -0.60 1.25 0.99 -0.59 -0.87 116.97 118.13 2bk3 h TYR 368 Ca -0.01 -0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.74 2bk3 h TYR 368 Cb 0.19 -0.38 -0.05 0.00 1.00 0.00 0.00 36.73 37.49 2bk3 h TYR 368 CO -0.03 0.84 0.30 0.00 -0.00 0.00 0.00 178.16 179.27 2bk3 h ALA 369 N 1.28 0.78 0.43 3.88 0.00 -1.06 0.05 119.26 124.63 2bk3 h ALA 369 Ca 0.30 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2bk3 h ALA 369 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2bk3 h ALA 369 CO -0.04 -0.05 -0.21 -0.22 0.00 0.00 0.00 179.25 178.73 2bk3 h LYS 370 N 0.56 -0.56 -0.63 0.00 3.64 -1.15 -0.14 116.57 118.30 2bk3 h LYS 370 Ca 0.27 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 2bk3 h LYS 370 Cb 0.20 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2bk3 h LYS 370 CO -0.20 -0.33 0.19 0.28 -2.27 0.00 0.00 179.45 177.13 2bk3 h VAL 371 N -0.67 1.25 -0.00 2.00 2.07 -0.93 -2.62 116.25 117.34 2bk3 h VAL 371 Ca -0.06 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2bk3 h VAL 371 Cb 0.49 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2bk3 h VAL 371 CO 0.10 0.33 -0.24 0.18 0.02 0.00 0.00 177.57 177.95 2bk3 n LEU 372 N -4.37 0.61 -3.24 2.57 4.77 -0.02 -4.76 117.00 112.57 2bk3 n LEU 372 Ca 0.04 -0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 2bk3 n LEU 372 Cb 0.22 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2bk3 n LEU 372 CO 0.41 0.12 0.08 0.61 -1.33 0.00 0.00 177.39 177.28 2bk3 n GLY 373 N 1.37 -0.53 2.80 -0.72 0.00 -0.22 -4.99 105.19 102.90 2bk3 n GLY 373 Ca 0.11 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 2bk3 n GLY 373 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk3 s SER 374 N -2.92 2.16 0.58 1.61 0.01 -0.28 -5.00 113.70 109.86 2bk3 s SER 374 Ca 0.41 -0.37 0.28 0.00 1.31 0.00 0.00 55.95 57.58 2bk3 s SER 374 Cb -0.18 -0.60 1.74 0.00 0.21 0.00 0.00 66.02 67.19 2bk3 s SER 374 CO 0.50 -0.21 2.21 -0.07 0.41 0.00 0.00 173.24 176.08 2bk3 h LEU 375 N 8.26 0.00 -2.27 2.44 3.38 -1.94 -2.75 115.31 122.42 2bk3 h LEU 375 Ca -0.21 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2bk3 h LEU 375 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2bk3 h LEU 375 CO 0.32 0.00 0.10 -0.33 0.09 0.00 0.00 178.44 178.62 2bk3 h GLU 376 N 0.00 0.00 0.00 1.13 5.08 -1.96 -1.43 114.58 117.39 2bk3 h GLU 376 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2bk3 h GLU 376 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2bk3 h GLU 376 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2bk3 h ALA 377 N 1.90 1.00 -0.17 3.43 0.00 -1.82 -1.93 119.26 121.67 2bk3 h ALA 377 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bk3 h ALA 377 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bk3 h ALA 377 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2bk3 n LEU 378 N -2.71 1.27 -2.96 0.00 4.77 -0.54 -4.38 117.00 112.45 2bk3 n LEU 378 Ca -0.01 -0.57 -0.26 0.00 -0.03 0.00 0.00 56.01 55.13 2bk3 n LEU 378 Cb 0.12 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2bk3 n LEU 378 CO 0.18 0.29 0.12 -0.62 -1.33 0.00 0.00 177.39 176.03 2bk3 n GLU 379 N 0.10 3.07 -2.17 3.23 4.71 -0.73 -5.08 120.64 123.78 2bk3 n GLU 379 Ca 0.13 -4.75 -0.37 0.00 -0.01 0.00 0.00 57.16 52.16 2bk3 n GLU 379 Cb 0.24 -2.20 0.00 0.00 -1.01 0.00 0.00 31.44 28.48 2bk3 n GLU 379 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2bk3 s PRO 380 N -3.40 3.51 -0.03 3.49 0.04 -1.26 -4.68 135.00 132.67 2bk3 s PRO 380 Ca 0.48 1.80 0.22 0.00 0.04 0.00 0.00 61.00 63.54 2bk3 s PRO 380 Cb 0.29 -2.25 -0.33 0.00 0.04 0.00 0.00 34.50 32.24 2bk3 s PRO 380 CO -0.14 -0.77 0.50 1.33 0.04 0.00 0.00 177.00 177.97 2bk3 n VAL 381 N -0.85 0.00 -3.48 -0.36 0.24 0.14 -4.99 118.33 109.04 2bk3 n VAL 381 Ca 0.09 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 2bk3 n VAL 381 Cb 0.48 0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.88 2bk3 n VAL 381 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2bk3 s HIS 382 N -3.50 -0.41 -0.08 6.34 5.65 -1.24 -5.01 115.29 117.05 2bk3 s HIS 382 Ca -0.07 0.25 -0.05 0.00 0.25 0.00 0.00 55.06 55.43 2bk3 s HIS 382 Cb 0.14 0.54 0.03 0.00 -1.18 0.00 0.00 32.58 32.12 2bk3 s HIS 382 CO 0.91 -0.64 0.20 -0.47 -0.65 0.00 0.00 174.74 174.08 2bk3 s TYR 383 N -3.31 -0.23 0.04 3.88 5.04 -1.26 -0.87 117.35 120.63 2bk3 s TYR 383 Ca 0.04 0.58 0.05 0.00 -2.44 0.00 0.00 57.07 55.29 2bk3 s TYR 383 Cb -0.01 0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.31 2bk3 s TYR 383 CO -0.10 -0.15 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.60 2bk3 s GLU 384 N 0.63 0.98 0.08 4.97 0.41 -0.66 -5.03 118.70 120.09 2bk3 s GLU 384 Ca -0.04 -0.76 -0.13 0.00 -0.41 0.00 0.00 54.97 53.63 2bk3 s GLU 384 Cb -0.06 -1.00 0.02 0.00 -1.78 0.00 0.00 34.13 31.31 2bk3 s GLU 384 CO -0.03 0.25 0.31 -1.83 -0.49 0.00 0.00 175.26 173.46 2bk3 s GLU 385 N -1.09 0.90 -0.14 1.61 -1.05 -1.26 -0.43 118.70 117.24 2bk3 s GLU 385 Ca 0.02 -0.69 -0.05 0.00 -0.15 0.00 0.00 54.97 54.10 2bk3 s GLU 385 Cb -0.08 0.39 0.07 0.00 -0.44 0.00 0.00 34.13 34.07 2bk3 s GLU 385 CO 0.01 -0.31 0.29 0.21 0.95 0.00 0.00 175.26 176.42 2bk3 s LYS 386 N -3.29 0.19 -0.49 -4.83 2.47 -0.34 -5.00 119.74 108.45 2bk3 s LYS 386 Ca 0.00 0.80 -0.21 0.00 -1.56 0.00 0.00 55.97 55.01 2bk3 s LYS 386 Cb 0.02 0.04 0.04 0.00 -1.46 0.00 0.00 37.83 36.47 2bk3 s LYS 386 CO -0.08 -0.27 0.70 1.21 0.16 0.00 0.00 175.35 177.07 2bk3 s ASN 387 N 2.42 6.28 0.26 1.43 3.84 -1.26 -1.62 114.94 126.30 2bk3 s ASN 387 Ca 0.00 -0.59 0.25 0.00 0.21 0.00 0.00 52.86 52.74 2bk3 s ASN 387 Cb -0.12 -2.33 0.87 0.00 -0.55 0.00 0.00 41.25 39.11 2bk3 s ASN 387 CO -0.09 -0.93 1.75 -0.50 -2.79 0.00 0.00 177.10 174.54 2bk3 h TRP 388 N 9.03 0.00 0.00 0.43 4.06 -1.79 -3.14 115.95 124.54 2bk3 h TRP 388 Ca -0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.69 2bk3 h TRP 388 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 2bk3 h TRP 388 CO 0.78 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 175.66 2bk3 n GLU 390 N -2.94 0.31 -2.54 0.00 0.28 -1.19 -4.74 120.64 109.83 2bk3 n GLU 390 Ca -0.01 -0.18 -0.43 0.00 -0.16 0.00 0.00 57.16 56.38 2bk3 n GLU 390 Cb 0.18 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.53 2bk3 n GLU 390 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2bk3 s GLU 391 N -2.81 3.71 0.27 3.44 0.41 -1.11 -4.92 118.70 117.70 2bk3 s GLU 391 Ca 0.16 0.70 0.00 0.00 -0.41 0.00 0.00 54.97 55.43 2bk3 s GLU 391 Cb 0.18 -3.93 0.53 0.00 -1.78 0.00 0.00 34.13 29.14 2bk3 s GLU 391 CO 0.63 -1.39 1.82 0.37 -0.49 0.00 0.00 175.26 176.20 2bk3 h GLN 392 N 9.52 0.89 -0.64 1.61 4.15 -1.91 0.61 115.11 129.34 2bk3 h GLN 392 Ca -0.24 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2bk3 h GLN 392 Cb 1.07 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2bk3 h GLN 392 CO 1.11 0.59 0.00 0.66 -1.93 0.00 0.00 178.83 179.26 2bk3 n TYR 393 N -4.67 1.72 0.00 3.99 4.02 -1.26 -4.31 117.16 116.66 2bk3 n TYR 393 Ca 0.18 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 2bk3 n TYR 393 Cb 0.36 -0.34 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 2bk3 n TYR 393 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2bk3 n SER 394 N 0.98 0.15 0.00 7.72 7.64 -1.07 -4.94 113.62 124.10 2bk3 n SER 394 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2bk3 n SER 394 Cb 1.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 2bk3 n SER 394 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bk3 n GLY 395 N 2.85 1.79 0.00 0.23 0.00 0.18 -4.89 105.19 105.35 2bk3 n GLY 395 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bk3 n GLY 395 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk3 n GLY 396 N -2.00 -0.68 3.44 -0.02 0.00 -1.21 -4.53 105.19 100.20 2bk3 n GLY 396 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 2bk3 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bk3 h TYR 398 N 2.01 0.06 -2.88 0.00 0.05 -1.87 -3.10 116.97 111.25 2bk3 h TYR 398 Ca -0.33 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.38 2bk3 h TYR 398 Cb 1.30 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.04 2bk3 h TYR 398 CO 0.25 0.72 0.20 -2.37 -1.05 0.00 0.00 178.16 175.90 2bk3 n THR 399 N -3.74 0.00 -2.74 -2.88 5.66 -1.26 -4.96 114.28 104.36 2bk3 n THR 399 Ca -0.01 -0.86 -0.41 0.00 -3.05 0.00 0.00 64.05 59.71 2bk3 n THR 399 Cb 0.68 0.81 -0.04 0.00 -1.55 0.00 0.00 70.33 70.23 2bk3 n THR 399 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2bk3 s THR 400 N -2.31 4.59 0.23 1.09 2.01 -1.26 -2.11 115.64 117.88 2bk3 s THR 400 Ca 0.14 2.04 0.09 0.00 0.31 0.00 0.00 61.69 64.27 2bk3 s THR 400 Cb -0.04 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2bk3 s THR 400 CO 0.10 0.29 0.00 -0.72 -0.69 0.00 0.00 174.62 173.60 2bk3 s TYR 401 N 0.20 2.76 -0.25 4.92 -0.85 -0.23 -4.96 117.35 118.93 2bk3 s TYR 401 Ca 0.47 -0.19 -0.04 0.00 -0.52 0.00 0.00 57.07 56.80 2bk3 s TYR 401 Cb -0.23 -1.26 0.01 0.00 0.38 0.00 0.00 41.96 40.86 2bk3 s TYR 401 CO 0.29 0.58 -0.01 -0.06 -1.52 0.00 0.00 175.55 174.82 2bk3 s PHE 402 N -2.10 3.06 1.00 -3.49 0.40 -1.26 -3.88 117.98 111.71 2bk3 s PHE 402 Ca 0.30 -1.22 -0.12 0.00 -0.60 0.00 0.00 56.93 55.30 2bk3 s PHE 402 Cb -0.07 -2.13 0.19 0.00 0.51 0.00 0.00 43.02 41.52 2bk3 s PHE 402 CO 0.19 -0.63 1.08 -2.14 0.70 0.00 0.00 175.22 174.42 2bk3 s PRO 403 N 1.42 0.36 0.18 0.24 0.02 -1.26 -0.87 135.00 135.09 2bk3 s PRO 403 Ca 0.02 0.90 -0.33 0.00 0.02 0.00 0.00 61.00 61.61 2bk3 s PRO 403 Cb -0.16 -1.70 -0.14 0.00 0.02 0.00 0.00 34.50 32.52 2bk3 s PRO 403 CO -0.02 -2.88 1.41 -0.35 -0.33 0.00 0.00 177.00 174.83 2bk3 n PRO 404 N -4.33 1.77 -0.06 5.54 -0.04 -1.26 -2.88 135.00 133.74 2bk3 n PRO 404 Ca 0.06 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 2bk3 n PRO 404 Cb 0.55 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2bk3 n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bk3 n GLY 405 N 2.59 1.00 0.14 0.55 0.00 -0.12 -4.93 105.19 104.41 2bk3 n GLY 405 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2bk3 n GLY 405 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bk3 h ILE 406 N 0.00 0.75 -0.66 -0.61 1.08 -1.81 -3.29 117.51 112.97 2bk3 h ILE 406 Ca 0.00 -2.37 -0.07 0.00 -0.39 0.00 0.00 64.86 62.03 2bk3 h ILE 406 Cb 0.00 2.57 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 2bk3 h ILE 406 CO 0.00 0.83 0.13 0.25 -0.69 0.00 0.00 178.15 178.67 2bk3 h LEU 407 N -0.03 1.01 -0.55 1.44 5.85 -1.92 0.22 115.31 121.32 2bk3 h LEU 407 Ca -0.39 -0.22 -0.16 0.00 0.84 0.00 0.00 57.88 57.95 2bk3 h LEU 407 Cb 1.97 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 2bk3 h LEU 407 CO 0.09 0.99 -0.61 0.71 -0.34 0.00 0.00 178.44 179.27 2bk3 h THR 408 N 1.00 1.36 0.07 1.05 1.35 -1.93 -0.88 112.91 114.92 2bk3 h THR 408 Ca 0.20 -1.95 -0.26 0.00 -0.55 0.00 0.00 66.41 63.85 2bk3 h THR 408 Cb 0.39 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 2bk3 h THR 408 CO 0.01 0.59 -1.26 1.56 -0.25 0.00 0.00 175.52 176.17 2bk3 h GLN 409 N 0.28 0.14 0.00 4.72 1.08 -1.52 -3.41 115.11 116.40 2bk3 h GLN 409 Ca -0.01 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2bk3 h GLN 409 Cb 1.15 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2bk3 h GLN 409 CO 0.10 1.05 -0.25 0.66 -0.95 0.00 0.00 178.83 179.44 2bk3 n TYR 410 N -3.40 0.00 -0.30 2.96 4.02 0.72 -4.82 117.16 116.34 2bk3 n TYR 410 Ca -0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.91 2bk3 n TYR 410 Cb 1.00 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.65 2bk3 n TYR 410 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2bk3 h GLY 411 N 0.00 1.35 2.00 2.72 0.00 -1.15 -1.12 103.07 106.86 2bk3 h GLY 411 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2bk3 h GLY 411 CO 0.00 0.12 0.00 0.07 0.00 0.00 0.00 176.54 176.73 2bk3 h ARG 412 N 0.80 0.00 0.00 4.80 0.11 -1.88 -2.51 114.38 115.71 2bk3 h ARG 412 Ca 0.46 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.52 2bk3 h ARG 412 Cb 0.62 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.70 2bk3 h ARG 412 CO -0.22 0.00 -0.09 0.28 0.10 0.00 0.00 179.97 180.04 2bk3 h VAL 413 N 0.00 0.15 -0.60 0.08 2.07 -1.57 -3.40 116.25 113.00 2bk3 h VAL 413 Ca 0.00 -1.20 0.11 0.00 0.82 0.00 0.00 66.70 66.42 2bk3 h VAL 413 Cb 0.20 2.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 2bk3 h VAL 413 CO 0.00 0.09 0.14 -0.07 0.02 0.00 0.00 177.57 177.75 2bk3 h LEU 414 N 0.00 0.03 -3.03 2.57 3.38 -1.57 -2.77 115.31 113.92 2bk3 h LEU 414 Ca -0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2bk3 h LEU 414 Cb 1.06 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2bk3 h LEU 414 CO 0.01 0.03 0.00 -2.11 0.09 0.00 0.00 178.44 176.46 2bk3 n ARG 415 N -5.11 1.98 -2.28 1.13 1.85 -1.26 -4.91 116.66 108.06 2bk3 n ARG 415 Ca 0.09 -2.32 -0.43 0.00 -1.00 0.00 0.00 57.85 54.19 2bk3 n ARG 415 Cb 0.31 -1.41 -0.02 0.00 -1.05 0.00 0.00 32.46 30.29 2bk3 n ARG 415 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2bk3 s GLN 416 N -2.32 4.22 0.53 2.89 0.74 -1.05 -4.63 119.66 120.05 2bk3 s GLN 416 Ca 0.25 1.85 -0.22 0.00 0.05 0.00 0.00 55.36 57.29 2bk3 s GLN 416 Cb 0.21 -3.82 -0.06 0.00 1.10 0.00 0.00 33.01 30.45 2bk3 s GLN 416 CO 0.04 -0.74 1.31 -2.30 -0.55 0.00 0.00 175.29 173.05 2bk3 n PRO 417 N 6.67 1.65 -3.80 1.67 -0.02 -1.26 -4.88 135.00 135.03 2bk3 n PRO 417 Ca 0.15 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 2bk3 n PRO 417 Cb 0.44 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 2bk3 n PRO 417 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bk3 s VAL 418 N -1.30 3.27 0.00 -1.45 1.01 -0.08 -4.98 120.40 116.87 2bk3 s VAL 418 Ca 0.71 -2.53 0.00 0.00 0.00 0.00 0.00 61.98 60.16 2bk3 s VAL 418 Cb -0.43 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2bk3 s VAL 418 CO 0.50 -0.76 0.00 -0.67 0.00 0.00 0.00 175.10 174.17 2bk3 n ASP 419 N 4.03 0.00 -0.83 3.32 2.03 -1.26 -1.39 116.55 122.45 2bk3 n ASP 419 Ca 0.03 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.41 2bk3 n ASP 419 Cb 0.39 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.99 2bk3 n ASP 419 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bk3 n ARG 420 N 0.00 2.85 -3.45 -0.67 1.74 -1.26 -4.90 116.66 110.97 2bk3 n ARG 420 Ca 0.00 -2.22 -0.38 0.00 -0.77 0.00 0.00 57.85 54.48 2bk3 n ARG 420 Cb 0.00 -1.36 -0.08 0.00 -1.02 0.00 0.00 32.46 30.00 2bk3 n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bk3 s ILE 421 N -1.04 5.23 0.16 0.55 1.01 -0.49 -1.25 121.20 125.38 2bk3 s ILE 421 Ca 0.30 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.58 2bk3 s ILE 421 Cb 0.16 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2bk3 s ILE 421 CO 0.20 0.26 -0.02 -0.31 0.00 0.00 0.00 174.94 175.07 2bk3 s TYR 422 N 1.36 2.83 -0.17 3.97 1.51 0.35 -0.90 117.35 126.28 2bk3 s TYR 422 Ca 0.16 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 2bk3 s TYR 422 Cb -0.15 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.33 2bk3 s TYR 422 CO 0.07 0.51 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.78 2bk3 s PHE 423 N -1.66 2.77 0.00 2.71 0.40 -1.26 -0.82 117.98 120.11 2bk3 s PHE 423 Ca 0.27 -1.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.12 2bk3 s PHE 423 Cb -0.10 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.52 2bk3 s PHE 423 CO 0.18 -0.72 0.00 0.00 0.70 0.00 0.00 175.22 175.38 2bk3 n ALA 424 N 4.48 0.00 0.00 5.36 0.00 -0.37 -4.73 120.51 125.25 2bk3 n ALA 424 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2bk3 n ALA 424 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2bk3 n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bk3 n GLY 425 N 5.00 -0.65 0.33 0.00 0.00 -1.26 -4.50 105.19 104.11 2bk3 n GLY 425 Ca 0.00 -1.43 0.16 0.00 0.00 0.00 0.00 46.02 44.75 2bk3 n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bk3 h THR 426 N 0.00 0.70 0.00 2.61 1.03 -1.85 -0.79 112.91 114.62 2bk3 h THR 426 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2bk3 h THR 426 Cb 0.00 0.85 -0.00 0.00 -1.07 0.00 0.00 68.15 67.93 2bk3 h THR 426 CO 0.00 0.00 -0.02 -0.33 -0.01 0.00 0.00 175.52 175.16 2bk3 h GLU 427 N 0.00 0.00 -0.02 0.00 3.07 -1.89 -2.24 114.58 113.51 2bk3 h GLU 427 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2bk3 h GLU 427 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2bk3 h GLU 427 CO -0.00 0.02 -0.06 0.25 -1.40 0.00 0.00 179.01 177.82 2bk3 n THR 428 N -3.40 0.00 -1.47 1.13 -2.24 -0.30 -4.95 114.28 103.05 2bk3 n THR 428 Ca -0.03 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 2bk3 n THR 428 Cb 0.12 0.85 0.08 0.00 -2.10 0.00 0.00 70.33 69.28 2bk3 n THR 428 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk3 s ALA 429 N -2.08 2.37 -0.66 6.98 0.00 -0.84 -4.90 121.76 122.62 2bk3 s ALA 429 Ca 0.32 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.39 2bk3 s ALA 429 Cb 0.20 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 2bk3 s ALA 429 CO 0.36 -1.58 0.50 0.25 0.00 0.00 0.00 175.76 175.29 2bk3 n THR 430 N -3.36 0.00 -3.68 0.00 -2.24 -1.26 -4.57 114.28 99.17 2bk3 n THR 430 Ca 0.08 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.32 2bk3 n THR 430 Cb 0.54 1.05 -0.18 0.00 -2.10 0.00 0.00 70.33 69.65 2bk3 n THR 430 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2bk3 s HIS 431 N -1.63 0.06 -1.45 4.78 5.65 -1.26 -4.76 115.29 116.69 2bk3 s HIS 431 Ca 0.06 0.25 -0.08 0.00 0.25 0.00 0.00 55.06 55.54 2bk3 s HIS 431 Cb 0.07 -0.47 0.04 0.00 -1.18 0.00 0.00 32.58 31.05 2bk3 s HIS 431 CO 0.32 -0.18 0.65 0.91 -0.65 0.00 0.00 174.74 175.78 2bk3 n TRP 432 N 5.22 -2.01 -1.66 3.88 7.02 -0.51 -3.97 117.44 125.42 2bk3 n TRP 432 Ca -0.05 0.58 -0.44 0.00 -1.02 0.00 0.00 57.50 56.57 2bk3 n TRP 432 Cb 0.50 -3.95 -0.01 0.00 -2.42 0.00 0.00 31.31 25.43 2bk3 n TRP 432 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2bk3 n SER 433 N -2.51 2.28 0.00 -0.99 2.88 -1.26 -2.18 113.62 111.84 2bk3 n SER 433 Ca -0.05 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 2bk3 n SER 433 Cb 0.58 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2bk3 n SER 433 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bk3 n GLY 434 N 1.16 1.10 3.51 0.46 0.00 -1.23 -4.95 105.19 105.25 2bk3 n GLY 434 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2bk3 n GLY 434 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bk3 s TYR 435 N -2.26 2.27 0.31 1.61 1.51 -0.93 -4.70 117.35 115.17 2bk3 s TYR 435 Ca 0.00 -0.54 0.06 0.00 -1.01 0.00 0.00 57.07 55.59 2bk3 s TYR 435 Cb 0.00 -1.27 0.74 0.00 -0.11 0.00 0.00 41.96 41.32 2bk3 s TYR 435 CO 0.00 0.52 1.80 0.52 -1.11 0.00 0.00 175.55 177.28 2bk3 h MET 436 N 2.12 0.75 -0.21 -0.62 2.86 -1.90 -1.67 114.93 116.26 2bk3 h MET 436 Ca -0.41 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 2bk3 h MET 436 Cb 1.25 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 2bk3 h MET 436 CO 0.69 0.50 -0.00 1.49 1.06 0.00 0.00 176.91 180.64 2bk3 h GLU 437 N 0.78 0.06 -0.71 1.72 4.57 -1.93 -2.13 114.58 116.94 2bk3 h GLU 437 Ca 0.54 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.73 2bk3 h GLU 437 Cb 0.83 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 2bk3 h GLU 437 CO -0.32 0.04 0.47 0.78 -1.18 0.00 0.00 179.01 178.79 2bk3 h GLY 438 N 0.06 0.99 0.72 1.92 0.00 -0.86 -1.39 103.07 104.52 2bk3 h GLY 438 Ca 0.10 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.12 2bk3 h GLY 438 CO -0.17 0.35 0.40 0.00 0.00 0.00 0.00 176.54 177.12 2bk3 h ALA 439 N 1.56 0.92 -0.08 3.60 0.00 -0.81 -1.08 119.26 123.38 2bk3 h ALA 439 Ca 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2bk3 h ALA 439 Cb -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2bk3 h ALA 439 CO -0.06 0.10 -0.02 0.28 0.00 0.00 0.00 179.25 179.55 2bk3 h VAL 440 N 0.74 1.28 -0.40 0.00 2.07 -0.85 -1.56 116.25 117.54 2bk3 h VAL 440 Ca 0.30 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.99 2bk3 h VAL 440 Cb 0.15 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 2bk3 h VAL 440 CO -0.17 0.25 0.00 -0.08 0.02 0.00 0.00 177.57 177.60 2bk3 h GLU 441 N -0.17 0.10 -0.44 1.57 4.81 -1.16 -1.75 114.58 117.55 2bk3 h GLU 441 Ca 0.02 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 2bk3 h GLU 441 Cb 0.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2bk3 h GLU 441 CO 0.01 0.07 -0.22 0.00 -0.73 0.00 0.00 179.01 178.14 2bk3 h ALA 442 N 1.34 0.61 -0.34 2.92 0.00 -1.15 -1.59 119.26 121.05 2bk3 h ALA 442 Ca 0.19 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2bk3 h ALA 442 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2bk3 h ALA 442 CO -0.32 0.60 0.11 0.78 0.00 0.00 0.00 179.25 180.41 2bk3 h GLY 443 N 0.75 0.57 1.55 0.00 0.00 -1.14 -0.65 103.07 104.15 2bk3 h GLY 443 Ca 0.10 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 2bk3 h GLY 443 CO 0.07 0.32 -0.48 0.83 0.00 0.00 0.00 176.54 177.27 2bk3 h GLU 444 N 0.40 0.48 -0.29 4.80 5.08 -1.31 -1.55 114.58 122.18 2bk3 h GLU 444 Ca 0.11 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2bk3 h GLU 444 Cb 0.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2bk3 h GLU 444 CO -0.00 0.86 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.66 2bk3 h ARG 445 N 0.39 0.60 -0.64 2.33 2.43 -1.20 -1.66 114.38 116.62 2bk3 h ARG 445 Ca 0.02 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2bk3 h ARG 445 Cb 0.98 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 2bk3 h ARG 445 CO 0.09 0.82 0.39 0.00 -1.51 0.00 0.00 179.97 179.75 2bk3 h ALA 446 N 0.76 0.82 -0.60 2.80 0.00 -1.05 -0.57 119.26 121.42 2bk3 h ALA 446 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bk3 h ALA 446 Cb 0.62 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2bk3 h ALA 446 CO 0.04 0.29 0.38 0.00 0.00 0.00 0.00 179.25 179.96 2bk3 h ALA 447 N 1.20 0.76 -0.12 0.00 0.00 -1.20 -2.63 119.26 117.28 2bk3 h ALA 447 Ca 0.23 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2bk3 h ALA 447 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2bk3 h ALA 447 CO -0.04 0.15 -0.31 0.00 0.00 0.00 0.00 179.25 179.05 2bk3 h ARG 448 N 0.77 0.22 -0.77 0.00 3.08 -1.02 -1.15 114.38 115.51 2bk3 h ARG 448 Ca 0.23 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.23 2bk3 h ARG 448 Cb -0.04 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 2bk3 h ARG 448 CO -0.07 0.52 0.48 0.93 -1.07 0.00 0.00 179.97 180.76 2bk3 h GLU 449 N 0.20 0.89 -0.44 0.04 5.08 -0.79 -0.17 114.58 119.39 2bk3 h GLU 449 Ca 0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2bk3 h GLU 449 Cb 0.66 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2bk3 h GLU 449 CO 0.05 0.59 -0.07 0.82 -1.00 0.00 0.00 179.01 179.40 2bk3 h ILE 450 N 0.92 1.27 -0.85 3.13 2.04 -1.09 -1.13 117.51 121.81 2bk3 h ILE 450 Ca 0.32 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 65.06 2bk3 h ILE 450 Cb 0.06 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 2bk3 h ILE 450 CO -0.13 0.39 0.56 -0.07 0.00 0.00 0.00 178.15 178.90 2bk3 h LEU 451 N 0.66 0.89 -0.17 1.44 3.38 -0.90 -0.76 115.31 119.85 2bk3 h LEU 451 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2bk3 h LEU 451 Cb 0.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2bk3 h LEU 451 CO 0.04 0.61 -0.04 -0.74 0.09 0.00 0.00 178.44 178.39 2bk3 h HIS 452 N 1.03 0.37 -0.46 1.13 2.76 -0.88 -0.52 115.15 118.57 2bk3 h HIS 452 Ca 0.34 -0.08 0.12 0.00 -2.20 0.00 0.00 60.37 58.55 2bk3 h HIS 452 Cb 0.06 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2bk3 h HIS 452 CO -0.00 0.60 0.33 0.00 -1.30 0.00 0.00 177.93 177.56 2bk3 h ALA 453 N 0.71 2.33 -0.01 5.26 0.00 -0.68 0.57 119.26 127.45 2bk3 h ALA 453 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bk3 h ALA 453 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bk3 h ALA 453 CO 0.02 -0.45 -0.08 -1.33 0.00 0.00 0.00 179.25 177.41 2bk3 n MET 454 N -4.42 0.93 -1.04 0.00 2.00 -0.34 -4.93 117.12 109.32 2bk3 n MET 454 Ca 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 57.70 57.42 2bk3 n MET 454 Cb 0.48 -1.49 -0.01 0.00 0.00 0.00 0.00 33.22 32.20 2bk3 n MET 454 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2bk3 n GLY 455 N 1.21 0.51 0.11 3.03 0.00 0.19 -4.95 105.19 105.30 2bk3 n GLY 455 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2bk3 n GLY 455 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bk3 h LYS 456 N 0.35 0.00 -4.50 1.61 1.57 -1.29 -3.47 116.57 110.83 2bk3 h LYS 456 Ca -0.03 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 2bk3 h LYS 456 Cb 0.12 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.25 2bk3 h LYS 456 CO 0.04 0.46 -0.71 0.96 -0.57 0.00 0.00 179.45 179.63 2bk3 s ILE 457 N -2.92 0.51 0.67 1.86 -4.36 -1.21 -4.99 121.20 110.76 2bk3 s ILE 457 Ca 0.01 -1.43 -0.12 0.00 -0.26 0.00 0.00 60.65 58.85 2bk3 s ILE 457 Cb 0.08 -1.03 -0.01 0.00 1.25 0.00 0.00 42.46 42.75 2bk3 s ILE 457 CO 0.78 -0.63 1.06 -2.16 0.24 0.00 0.00 174.94 174.23 2bk3 s PRO 458 N -2.58 3.06 0.37 0.37 0.04 -1.26 -4.40 135.00 130.59 2bk3 s PRO 458 Ca -0.01 1.02 0.12 0.00 0.04 0.00 0.00 61.00 62.16 2bk3 s PRO 458 Cb -0.03 -2.00 0.91 0.00 0.04 0.00 0.00 34.50 33.42 2bk3 s PRO 458 CO -0.03 -1.01 1.83 1.49 0.04 0.00 0.00 177.00 179.33 2bk3 h GLU 459 N -0.39 0.58 -1.23 4.56 4.81 -1.98 -1.05 114.58 119.87 2bk3 h GLU 459 Ca -0.45 -0.03 0.45 0.00 -0.13 0.00 0.00 59.36 59.20 2bk3 h GLU 459 Cb 1.21 -0.13 -0.15 0.00 0.63 0.00 0.00 28.75 30.31 2bk3 h GLU 459 CO 0.57 0.38 0.75 -3.47 -0.73 0.00 0.00 179.01 176.51 2bk3 n ASP 460 N -4.60 0.25 -1.15 1.04 2.03 -1.26 -2.16 116.55 110.71 2bk3 n ASP 460 Ca 0.20 1.45 0.12 0.00 0.52 0.00 0.00 54.79 57.08 2bk3 n ASP 460 Cb 0.61 -0.71 0.22 0.00 -0.72 0.00 0.00 41.12 40.52 2bk3 n ASP 460 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2bk3 n GLU 461 N -4.86 2.50 0.00 -0.67 1.02 -0.40 -4.44 120.64 113.80 2bk3 n GLU 461 Ca 0.39 -2.27 -0.12 0.00 -0.02 0.00 0.00 57.16 55.14 2bk3 n GLU 461 Cb 1.44 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 31.27 2bk3 n GLU 461 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2bk3 h ILE 462 N 4.45 1.23 -3.89 -3.67 2.04 -1.57 -3.40 117.51 112.69 2bk3 h ILE 462 Ca 0.00 -0.67 -0.64 0.00 1.00 0.00 0.00 64.86 64.55 2bk3 h ILE 462 Cb 0.98 1.65 -0.17 0.00 -0.74 0.00 0.00 36.82 38.54 2bk3 h ILE 462 CO 0.00 0.18 -0.51 0.26 0.00 0.00 0.00 178.15 178.07 2bk3 s TRP 463 N -5.08 3.22 -0.05 1.37 0.52 -1.26 -4.64 118.94 113.02 2bk3 s TRP 463 Ca -0.15 0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.14 2bk3 s TRP 463 Cb 0.04 -2.39 -0.01 0.00 -1.15 0.00 0.00 33.47 29.96 2bk3 s TRP 463 CO 0.67 -0.17 -0.23 -0.65 0.02 0.00 0.00 176.95 176.60 2bk3 s GLN 464 N 1.76 2.28 0.83 4.98 -0.21 -1.26 -5.06 119.66 122.99 2bk3 s GLN 464 Ca 0.07 -0.82 -0.11 0.00 0.02 0.00 0.00 55.36 54.52 2bk3 s GLN 464 Cb -0.16 -1.97 0.09 0.00 1.00 0.00 0.00 33.01 31.97 2bk3 s GLN 464 CO 0.11 0.36 1.09 -1.54 -2.12 0.00 0.00 175.29 173.19 2bk3 s SER 465 N -0.16 4.00 -0.11 5.90 1.04 -1.26 -5.06 113.70 118.04 2bk3 s SER 465 Ca -0.02 1.64 0.02 0.00 0.48 0.00 0.00 55.95 58.06 2bk3 s SER 465 Cb -0.13 -2.33 0.02 0.00 0.10 0.00 0.00 66.02 63.68 2bk3 s SER 465 CO 0.03 -2.33 -0.15 -0.70 0.98 0.00 0.00 173.24 171.06 2bk3 s GLU 466 N -4.93 2.24 0.52 4.02 2.56 -1.26 -5.12 118.70 116.73 2bk3 s GLU 466 Ca 0.62 -0.57 -0.22 0.00 0.00 0.00 0.00 54.97 54.80 2bk3 s GLU 466 Cb -0.17 -1.92 -0.06 0.00 2.00 0.00 0.00 34.13 33.97 2bk3 s GLU 466 CO 0.56 -0.08 1.30 -2.30 -0.56 0.00 0.00 175.26 174.19 2bk3 n PRO 467 N 4.25 1.70 -2.02 4.30 -0.02 -1.26 -4.94 135.00 137.01 2bk3 n PRO 467 Ca -0.19 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 2bk3 n PRO 467 Cb 0.51 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 2bk3 n PRO 467 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2bk3 s GLU 468 N -2.69 4.28 0.30 -0.52 2.12 -1.26 -4.88 118.70 116.04 2bk3 s GLU 468 Ca 0.69 2.30 -0.30 0.00 0.36 0.00 0.00 54.97 58.02 2bk3 s GLU 468 Cb -0.44 -3.08 -0.12 0.00 0.26 0.00 0.00 34.13 30.75 2bk3 s GLU 468 CO 0.51 -0.36 1.50 0.45 -0.54 0.00 0.00 175.26 176.82 2bk3 n SER 469 N 1.68 3.43 0.20 -1.70 2.88 -1.26 -4.91 113.62 113.94 2bk3 n SER 469 Ca 0.04 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.83 2bk3 n SER 469 Cb 0.41 -1.54 0.14 0.00 -0.75 0.00 0.00 64.21 62.46 2bk3 n SER 469 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2bk3 h VAL 470 N 3.12 0.28 0.00 2.46 -1.51 -2.01 -3.33 116.25 115.26 2bk3 h VAL 470 Ca -0.47 -1.38 -0.27 0.00 -1.23 0.00 0.00 66.70 63.36 2bk3 h VAL 470 Cb 1.25 2.12 -0.04 0.00 -2.13 0.00 0.00 31.29 32.49 2bk3 h VAL 470 CO 0.74 0.16 -1.53 0.44 -1.23 0.00 0.00 177.57 176.15 2bk3 h ASP 471 N 0.00 0.00 -2.30 4.19 5.19 -2.02 -3.40 116.42 118.08 2bk3 h ASP 471 Ca -0.00 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.82 2bk3 h ASP 471 Cb 1.11 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.22 2bk3 h ASP 471 CO 0.02 0.97 -0.84 0.52 -3.12 0.00 0.00 179.24 176.79 2bk3 n VAL 472 N -3.10 0.50 -2.43 -1.35 0.31 -1.26 -5.12 118.33 105.89 2bk3 n VAL 472 Ca -0.13 -4.40 -0.36 0.00 -0.01 0.00 0.00 64.34 59.43 2bk3 n VAL 472 Cb 1.01 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.94 2bk3 n VAL 472 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2bk3 s PRO 473 N -1.39 3.96 -0.25 5.55 0.04 -1.25 -4.54 135.00 137.11 2bk3 s PRO 473 Ca 0.34 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 2bk3 s PRO 473 Cb 0.11 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2bk3 s PRO 473 CO -0.11 -0.34 0.44 0.00 0.04 0.00 0.00 177.00 177.03 2bk3 s ALA 474 N -1.65 3.57 0.27 8.56 0.00 -1.26 -4.82 121.76 126.44 2bk3 s ALA 474 Ca 0.61 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.60 2bk3 s ALA 474 Cb -0.24 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 2bk3 s ALA 474 CO 0.30 -0.64 0.95 -0.65 0.00 0.00 0.00 175.76 175.71 2bk3 s GLN 475 N 2.05 4.77 0.72 0.00 -1.52 -1.26 -5.04 119.66 119.39 2bk3 s GLN 475 Ca 0.18 1.45 -0.14 0.00 -1.95 0.00 0.00 55.36 54.90 2bk3 s GLN 475 Cb -0.16 -3.13 0.04 0.00 -0.22 0.00 0.00 33.01 29.54 2bk3 s GLN 475 CO 0.09 0.44 1.15 -1.25 -0.25 0.00 0.00 175.29 175.47 2bk3 s PRO 476 N -1.45 2.32 -0.21 2.91 0.04 -1.26 -4.99 135.00 132.35 2bk3 s PRO 476 Ca 0.44 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 2bk3 s PRO 476 Cb -0.24 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2bk3 s PRO 476 CO 0.30 -1.65 0.67 0.42 0.04 0.00 0.00 177.00 176.78 2bk3 s ILE 477 N -2.29 4.98 0.17 0.56 -1.09 -1.26 -5.06 121.20 117.20 2bk3 s ILE 477 Ca 0.69 1.27 0.11 0.00 -2.23 0.00 0.00 60.65 60.49 2bk3 s ILE 477 Cb -0.24 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 2bk3 s ILE 477 CO 0.46 0.07 -0.22 0.42 -1.23 0.00 0.00 174.94 174.44 2bk3 s THR 478 N 2.15 2.53 0.24 2.92 -4.23 -1.26 -5.15 115.64 112.84 2bk3 s THR 478 Ca 0.30 -1.85 0.09 0.00 -1.18 0.00 0.00 61.69 59.05 2bk3 s THR 478 Cb -0.16 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 2bk3 s THR 478 CO 0.10 -0.05 -0.14 0.42 -0.54 0.00 0.00 174.62 174.41 2bk3 s THR 479 N -1.48 1.93 0.48 3.99 -4.23 -1.26 -5.15 115.64 109.91 2bk3 s THR 479 Ca 0.20 -2.25 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 2bk3 s THR 479 Cb -0.09 -2.21 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 2bk3 s THR 479 CO 0.10 -0.47 0.72 0.42 -0.54 0.00 0.00 174.62 174.85 2bk3 s THR 480 N -2.85 4.00 0.20 3.99 -4.23 -1.26 -4.97 115.64 110.53 2bk3 s THR 480 Ca 0.26 -0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 2bk3 s THR 480 Cb -0.01 -3.50 0.13 0.00 1.34 0.00 0.00 72.50 70.46 2bk3 s THR 480 CO 0.10 -0.39 1.75 0.15 -0.54 0.00 0.00 174.62 175.69 2bk3 h PHE 481 N 0.28 0.40 -0.49 3.99 3.57 -2.02 -1.85 116.94 120.82 2bk3 h PHE 481 Ca -0.46 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 2bk3 h PHE 481 Cb 1.25 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2bk3 h PHE 481 CO 0.46 0.12 0.02 -0.07 -2.23 0.00 0.00 178.31 176.61 2bk3 h LEU 482 N 0.42 0.84 -0.75 0.59 3.38 -1.97 -2.24 115.31 115.58 2bk3 h LEU 482 Ca 0.29 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2bk3 h LEU 482 Cb 0.34 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2bk3 h LEU 482 CO -0.28 0.93 0.48 -0.33 0.09 0.00 0.00 178.44 179.32 2bk3 h GLU 483 N 0.72 0.92 -0.35 1.13 5.08 -1.89 0.81 114.58 120.99 2bk3 h GLU 483 Ca 0.14 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2bk3 h GLU 483 Cb 0.49 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2bk3 h GLU 483 CO 0.02 0.61 -0.16 0.00 -1.00 0.00 0.00 179.01 178.48 2bk3 h ARG 484 N 0.94 0.65 0.00 2.33 3.08 -1.21 -3.39 114.38 116.78 2bk3 h ARG 484 Ca 0.29 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2bk3 h ARG 484 Cb -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2bk3 h ARG 484 CO -0.10 0.78 -0.37 0.72 -1.07 0.00 0.00 179.97 179.93 2bk3 n HIS 485 N -4.15 0.00 -1.77 3.04 8.25 -0.85 -5.00 115.22 114.74 2bk3 n HIS 485 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2bk3 n HIS 485 Cb 0.38 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 2bk3 n HIS 485 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2bk3 n LEU 486 N -1.20 4.67 -4.78 2.41 4.77 0.25 -4.96 117.00 118.16 2bk3 n LEU 486 Ca 0.01 1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 56.86 2bk3 n LEU 486 Cb 0.08 -1.61 0.04 0.00 -2.33 0.00 0.00 43.42 39.60 2bk3 n LEU 486 CO 0.10 0.16 0.73 -2.16 -1.33 0.00 0.00 177.39 174.89 2bk3 s PRO 487 N -1.63 2.87 1.13 3.23 0.04 -1.26 -4.97 135.00 134.41 2bk3 s PRO 487 Ca 0.56 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 2bk3 s PRO 487 Cb -0.48 -1.97 0.25 0.00 0.04 0.00 0.00 34.50 32.35 2bk3 s PRO 487 CO 0.59 -1.18 1.08 -1.54 0.04 0.00 0.00 177.00 176.00 2bk3 s SER 488 N -2.78 1.50 0.06 6.66 1.04 -1.26 -4.78 113.70 114.12 2bk3 s SER 488 Ca 0.65 0.95 -0.28 0.00 0.48 0.00 0.00 55.95 57.75 2bk3 s SER 488 Cb -0.19 -1.44 -0.17 0.00 0.10 0.00 0.00 66.02 64.32 2bk3 s SER 488 CO 0.43 -3.80 1.53 0.58 0.98 0.00 0.00 173.24 172.96 2bk3 h VAL 489 N -2.36 0.59 -0.14 5.02 2.07 -1.91 0.11 116.25 119.64 2bk3 h VAL 489 Ca -0.51 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 66.84 2bk3 h VAL 489 Cb 1.32 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2bk3 h VAL 489 CO 0.46 0.03 0.09 1.55 0.02 0.00 0.00 177.57 179.73 2bk3 h PRO 490 N -0.66 0.16 -0.71 1.57 0.13 -1.97 -1.44 132.00 129.08 2bk3 h PRO 490 Ca -0.06 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 2bk3 h PRO 490 Cb 0.48 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 2bk3 h PRO 490 CO 0.09 0.10 0.20 0.78 -0.23 0.00 0.00 178.00 178.94 2bk3 h GLY 491 N 0.16 1.20 1.23 1.56 0.00 -1.85 -2.15 103.07 103.23 2bk3 h GLY 491 Ca 0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 2bk3 h GLY 491 CO -0.01 0.69 -0.15 -2.00 0.00 0.00 0.00 176.54 175.06 2bk3 h LEU 492 N 1.06 0.90 -1.22 3.11 5.85 -0.09 -2.68 115.31 122.24 2bk3 h LEU 492 Ca 0.23 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2bk3 h LEU 492 Cb 0.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2bk3 h LEU 492 CO -0.00 1.04 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.90 2bk3 h LEU 493 N 0.79 0.32 -0.39 2.25 3.38 -1.10 -0.50 115.31 120.05 2bk3 h LEU 493 Ca 0.12 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2bk3 h LEU 493 Cb 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2bk3 h LEU 493 CO 0.05 0.51 -0.78 0.03 0.09 0.00 0.00 178.44 178.34 2bk3 h ARG 494 N 0.30 0.30 -0.10 1.13 3.08 -1.37 -1.42 114.38 116.31 2bk3 h ARG 494 Ca 0.06 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 2bk3 h ARG 494 Cb 0.48 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2bk3 h ARG 494 CO 0.03 0.94 -0.22 1.25 -1.07 0.00 0.00 179.97 180.90 2bk3 h LEU 495 N 0.19 0.16 -0.19 3.04 5.85 -1.08 -1.03 115.31 122.26 2bk3 h LEU 495 Ca -0.04 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.47 2bk3 h LEU 495 Cb 1.36 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2bk3 h LEU 495 CO 0.13 0.39 -0.55 0.40 -0.34 0.00 0.00 178.44 178.47 2bk3 h ILE 496 N 0.16 1.31 -0.36 4.05 2.04 -0.93 -3.13 117.51 120.65 2bk3 h ILE 496 Ca 0.03 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.08 2bk3 h ILE 496 Cb 0.48 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2bk3 h ILE 496 CO 0.03 0.56 0.09 1.23 0.00 0.00 0.00 178.15 180.06 2bk3 h GLY 497 N 0.42 0.56 0.90 5.37 0.00 -1.06 -3.21 103.07 106.06 2bk3 h GLY 497 Ca -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2bk3 h GLY 497 CO 0.12 0.27 0.03 -2.00 0.00 0.00 0.00 176.54 174.96 2bk3 h LEU 498 N 0.52 0.08 -1.02 3.11 5.85 -1.17 -2.98 115.31 119.70 2bk3 h LEU 498 Ca 0.12 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2bk3 h LEU 498 Cb 0.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2bk3 h LEU 498 CO -0.00 0.17 0.00 0.74 -0.34 0.00 0.00 178.44 179.01 2bk3 h THR 499 N -0.01 0.00 -0.03 1.05 2.02 -1.55 -3.32 112.91 111.07 2bk3 h THR 499 Ca 0.02 -0.32 -0.69 0.00 0.77 0.00 0.00 66.41 66.19 2bk3 h THR 499 Cb 0.11 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2bk3 h THR 499 CO -0.00 0.00 2.86 0.41 0.37 0.00 0.00 175.52 179.16 2bk3 n THR 500 N -2.55 3.00 -1.23 3.16 -1.04 -1.13 -5.14 114.28 109.34 2bk3 n THR 500 Ca 0.01 -2.64 0.00 0.00 -2.04 0.00 0.00 64.05 59.39 2bk3 n THR 500 Cb 0.25 -2.52 0.00 0.00 -1.82 0.00 0.00 70.33 66.24 2bk3 n THR 500 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05