#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bk4 s LYS 4 N 0.00 3.66 0.38 1.20 1.02 -1.26 0.19 119.74 124.93 2bk4 s LYS 4 Ca 0.00 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 2bk4 s LYS 4 Cb 0.00 -3.19 0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2bk4 s LYS 4 CO 0.00 0.55 0.70 0.00 -0.92 0.00 0.00 175.35 175.68 2bk4 h ASP 6 N 2.03 0.11 -3.48 0.00 3.32 -1.37 -3.28 116.42 113.75 2bk4 h ASP 6 Ca -0.31 -0.90 -0.36 0.00 0.02 0.00 0.00 57.03 55.48 2bk4 h ASP 6 Cb 1.25 -0.03 -0.34 0.00 0.22 0.00 0.00 39.33 40.42 2bk4 h ASP 6 CO 0.40 0.99 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.47 2bk4 s VAL 7 N -2.64 0.27 -0.19 -1.35 1.01 -1.05 -1.40 120.40 115.06 2bk4 s VAL 7 Ca -0.17 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 2bk4 s VAL 7 Cb -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2bk4 s VAL 7 CO 0.72 0.17 0.32 -0.69 0.00 0.00 0.00 175.10 175.62 2bk4 s VAL 8 N 1.03 5.26 -0.26 2.92 1.01 -0.88 -1.97 120.40 127.52 2bk4 s VAL 8 Ca -0.10 0.57 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 2bk4 s VAL 8 Cb -0.14 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2bk4 s VAL 8 CO -0.01 0.32 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 2bk4 s VAL 9 N 0.94 4.60 -0.45 2.92 1.01 0.35 -0.87 120.40 128.90 2bk4 s VAL 9 Ca 0.16 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 2bk4 s VAL 9 Cb -0.14 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.11 2bk4 s VAL 9 CO 0.06 0.32 0.68 -0.69 0.00 0.00 0.00 175.10 175.47 2bk4 s VAL 10 N 1.61 4.78 0.00 2.92 1.01 0.77 -1.03 120.40 130.45 2bk4 s VAL 10 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2bk4 s VAL 10 Cb -0.15 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2bk4 s VAL 10 CO 0.06 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.12 2bk4 n GLY 11 N 5.03 2.71 2.05 4.51 0.00 -0.04 -0.50 105.19 118.94 2bk4 n GLY 11 Ca -0.01 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 2bk4 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 12 N 1.37 5.86 1.96 -0.02 0.00 -1.26 -4.09 105.19 109.01 2bk4 n GLY 12 Ca 0.00 -2.22 -0.15 0.00 0.00 0.00 0.00 46.02 43.65 2bk4 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 13 N -0.88 -1.48 0.34 -0.02 0.00 -1.26 -1.27 105.19 100.60 2bk4 n GLY 13 Ca 0.52 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.93 2bk4 n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bk4 h ILE 14 N -1.49 0.90 -0.02 -0.61 2.04 -1.94 -0.42 117.51 115.97 2bk4 h ILE 14 Ca -0.22 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2bk4 h ILE 14 Cb 0.61 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2bk4 h ILE 14 CO 0.15 0.16 -0.00 -1.28 0.00 0.00 0.00 178.15 177.18 2bk4 h SER 15 N 0.89 0.03 -0.45 1.72 0.87 -1.91 0.70 113.55 115.39 2bk4 h SER 15 Ca 0.46 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2bk4 h SER 15 Cb 0.46 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2bk4 h SER 15 CO -0.27 0.35 0.29 1.23 -0.53 0.00 0.00 176.83 177.90 2bk4 h GLY 16 N -0.29 0.65 0.97 5.77 0.00 -1.67 -1.29 103.07 107.22 2bk4 h GLY 16 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2bk4 h GLY 16 CO 0.00 0.24 0.25 -0.33 0.00 0.00 0.00 176.54 176.70 2bk4 h MET 17 N 0.61 0.65 -0.87 4.80 2.07 -1.05 -0.49 114.93 120.66 2bk4 h MET 17 Ca 0.17 -0.08 -0.00 0.00 -2.07 0.00 0.00 59.70 57.71 2bk4 h MET 17 Cb -0.05 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 29.51 2bk4 h MET 17 CO -0.03 0.52 0.54 0.00 1.07 0.00 0.00 176.91 179.00 2bk4 h ALA 18 N 1.10 1.11 -0.13 6.32 0.00 -0.73 -0.23 119.26 126.68 2bk4 h ALA 18 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2bk4 h ALA 18 Cb 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2bk4 h ALA 18 CO -0.03 0.55 0.03 0.00 0.00 0.00 0.00 179.25 179.81 2bk4 h ALA 19 N 1.29 0.17 -0.73 0.00 0.00 -1.05 -2.50 119.26 116.43 2bk4 h ALA 19 Ca 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2bk4 h ALA 19 Cb -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2bk4 h ALA 19 CO -0.06 -0.19 0.39 0.00 0.00 0.00 0.00 179.25 179.40 2bk4 h ALA 20 N 0.82 0.94 -0.43 0.00 0.00 -0.90 -1.87 119.26 117.82 2bk4 h ALA 20 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bk4 h ALA 20 Cb 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2bk4 h ALA 20 CO 0.00 0.46 0.27 -0.22 0.00 0.00 0.00 179.25 179.76 2bk4 h LYS 21 N 1.01 0.57 -0.32 0.00 3.64 -1.04 0.14 116.57 120.58 2bk4 h LYS 21 Ca 0.26 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2bk4 h LYS 21 Cb 0.05 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2bk4 h LYS 21 CO -0.04 0.41 0.18 1.25 -2.27 0.00 0.00 179.45 178.98 2bk4 h LEU 22 N 0.57 0.40 -0.31 5.20 6.46 -1.12 0.62 115.31 127.11 2bk4 h LEU 22 Ca 0.15 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2bk4 h LEU 22 Cb -0.02 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 2bk4 h LEU 22 CO -0.03 0.36 0.08 -0.07 -0.62 0.00 0.00 178.44 178.17 2bk4 h LEU 23 N 0.40 0.47 -0.36 2.25 3.38 -1.23 -1.69 115.31 118.53 2bk4 h LEU 23 Ca 0.11 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2bk4 h LEU 23 Cb 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2bk4 h LEU 23 CO -0.02 0.57 0.04 -0.74 0.09 0.00 0.00 178.44 178.39 2bk4 h HIS 24 N 0.35 0.06 0.00 1.13 2.76 -0.83 -1.79 115.15 116.84 2bk4 h HIS 24 Ca 0.10 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2bk4 h HIS 24 Cb 0.28 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 2bk4 h HIS 24 CO 0.01 -0.02 -0.08 -0.44 -1.30 0.00 0.00 177.93 176.11 2bk4 h ASP 25 N 0.16 0.00 0.77 3.26 3.32 -0.67 -1.40 116.42 121.86 2bk4 h ASP 25 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2bk4 h ASP 25 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2bk4 h ASP 25 CO -0.25 0.08 -0.03 -1.20 -1.72 0.00 0.00 179.24 176.12 2bk4 n SER 26 N -4.15 0.05 0.00 6.45 7.64 -0.65 -4.92 113.62 118.05 2bk4 n SER 26 Ca -0.03 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2bk4 n SER 26 Cb 0.16 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2bk4 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bk4 n GLY 27 N 1.40 0.95 3.88 0.23 0.00 -0.53 -5.08 105.19 106.05 2bk4 n GLY 27 Ca 0.10 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2bk4 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bk4 s LEU 28 N 0.00 3.95 -0.41 0.99 1.43 -0.84 -5.02 118.68 118.79 2bk4 s LEU 28 Ca 0.00 0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 53.82 2bk4 s LEU 28 Cb 0.00 -3.81 0.02 0.00 0.03 0.00 0.00 46.19 42.43 2bk4 s LEU 28 CO 0.00 -0.29 0.83 0.20 0.23 0.00 0.00 176.35 177.32 2bk4 s ASN 29 N -3.06 6.52 0.10 2.29 0.01 -1.26 -4.21 114.94 115.33 2bk4 s ASN 29 Ca 0.48 0.22 0.08 0.00 -0.71 0.00 0.00 52.86 52.93 2bk4 s ASN 29 Cb -0.10 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 2bk4 s ASN 29 CO 0.29 -0.86 -0.14 0.68 -1.51 0.00 0.00 177.10 175.56 2bk4 s VAL 30 N 3.34 3.09 -0.03 1.60 -7.23 -1.26 -1.04 120.40 118.86 2bk4 s VAL 30 Ca 0.33 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 2bk4 s VAL 30 Cb -0.12 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 2bk4 s VAL 30 CO 0.21 0.13 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.30 2bk4 s VAL 31 N -1.15 1.17 -0.22 1.32 1.01 -0.83 -4.81 120.40 116.88 2bk4 s VAL 31 Ca 0.19 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 2bk4 s VAL 31 Cb -0.11 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2bk4 s VAL 31 CO 0.11 0.34 0.02 -0.69 0.00 0.00 0.00 175.10 174.89 2bk4 s VAL 32 N 0.07 4.05 -0.32 2.92 1.01 -0.18 -0.49 120.40 127.45 2bk4 s VAL 32 Ca -0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2bk4 s VAL 32 Cb -0.10 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 2bk4 s VAL 32 CO 0.01 0.40 0.18 -0.76 0.00 0.00 0.00 175.10 174.93 2bk4 s LEU 33 N 1.26 4.27 -0.13 3.92 1.43 -0.20 -0.42 118.68 128.80 2bk4 s LEU 33 Ca 0.04 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2bk4 s LEU 33 Cb -0.15 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2bk4 s LEU 33 CO 0.02 -0.22 -0.20 -0.70 0.23 0.00 0.00 176.35 175.48 2bk4 s GLU 34 N 1.64 3.10 0.18 1.70 2.56 -0.40 -0.86 118.70 126.62 2bk4 s GLU 34 Ca 0.05 -0.83 -0.11 0.00 0.00 0.00 0.00 54.97 54.08 2bk4 s GLU 34 Cb -0.17 -2.45 0.09 0.00 2.00 0.00 0.00 34.13 33.59 2bk4 s GLU 34 CO 0.08 0.06 1.72 0.00 -0.56 0.00 0.00 175.26 176.56 2bk4 h ALA 35 N 7.11 0.82 -2.49 6.30 0.00 -1.85 0.21 119.26 129.36 2bk4 h ALA 35 Ca -0.28 -0.19 -0.46 0.00 0.00 0.00 0.00 54.91 53.97 2bk4 h ALA 35 Cb 1.21 -0.24 0.10 0.00 0.00 0.00 0.00 17.79 18.85 2bk4 h ALA 35 CO 0.53 0.47 0.36 1.03 0.00 0.00 0.00 179.25 181.64 2bk4 s ARG 36 N -5.48 1.97 -0.03 0.00 0.52 -1.26 -3.68 118.95 110.99 2bk4 s ARG 36 Ca -0.13 -0.03 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 2bk4 s ARG 36 Cb 0.13 -2.01 0.17 0.00 0.52 0.00 0.00 34.95 33.76 2bk4 s ARG 36 CO 0.81 -1.53 0.95 -0.40 0.02 0.00 0.00 175.30 175.15 2bk4 n ASP 37 N -3.22 1.54 -3.83 0.23 5.75 -1.26 -0.91 116.55 114.86 2bk4 n ASP 37 Ca 0.08 -2.11 -0.09 0.00 -0.01 0.00 0.00 54.79 52.66 2bk4 n ASP 37 Cb 0.61 -0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 2bk4 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bk4 s ARG 38 N -1.58 1.06 0.54 0.11 1.70 -1.26 -4.94 118.95 114.59 2bk4 s ARG 38 Ca 0.12 -0.96 0.04 0.00 -0.47 0.00 0.00 55.73 54.46 2bk4 s ARG 38 Cb 0.08 0.40 0.05 0.00 -0.57 0.00 0.00 34.95 34.91 2bk4 s ARG 38 CO 0.06 -0.39 0.75 0.14 -1.08 0.00 0.00 175.30 174.78 2bk4 s VAL 39 N -3.88 2.60 0.00 4.99 -7.23 -1.26 -4.75 120.40 110.87 2bk4 s VAL 39 Ca 0.09 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 2bk4 s VAL 39 Cb 0.03 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 34.17 2bk4 s VAL 39 CO -0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 2bk4 n GLY 40 N -2.26 1.83 7.00 2.32 0.00 -0.40 -4.90 105.19 108.78 2bk4 n GLY 40 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2bk4 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 41 N 0.00 2.14 0.00 -0.02 0.00 -1.26 -1.03 105.19 105.01 2bk4 n GLY 41 Ca 0.00 0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.47 2bk4 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk4 n ARG 42 N 3.79 0.83 -4.23 1.61 1.74 -1.26 -4.55 116.66 114.59 2bk4 n ARG 42 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2bk4 n ARG 42 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 2bk4 n ARG 42 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2bk4 s THR 43 N -2.03 4.61 -0.27 0.55 -4.23 -0.20 -1.41 115.64 112.65 2bk4 s THR 43 Ca 0.40 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.63 2bk4 s THR 43 Cb 0.19 -2.99 0.13 0.00 1.34 0.00 0.00 72.50 71.17 2bk4 s THR 43 CO 0.32 0.55 0.58 -0.47 -0.54 0.00 0.00 174.62 175.06 2bk4 s TYR 44 N -0.98 -1.23 -0.31 3.99 5.04 -1.26 -4.56 117.35 118.04 2bk4 s TYR 44 Ca 0.16 2.02 -0.08 0.00 -2.44 0.00 0.00 57.07 56.72 2bk4 s TYR 44 Cb -0.12 0.63 0.01 0.00 0.35 0.00 0.00 41.96 42.84 2bk4 s TYR 44 CO 0.05 -0.65 0.12 0.99 -1.34 0.00 0.00 175.55 174.72 2bk4 s THR 45 N 2.81 4.19 0.03 4.34 2.01 -1.26 -0.85 115.64 126.91 2bk4 s THR 45 Ca -0.01 -0.69 -0.23 0.00 0.31 0.00 0.00 61.69 61.07 2bk4 s THR 45 Cb -0.12 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 2bk4 s THR 45 CO -0.18 0.01 0.70 -0.22 -0.69 0.00 0.00 174.62 174.24 2bk4 s LEU 46 N 1.53 4.44 -0.12 4.42 2.96 -0.26 -4.88 118.68 126.77 2bk4 s LEU 46 Ca 0.03 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 2bk4 s LEU 46 Cb -0.18 -3.12 0.00 0.00 0.50 0.00 0.00 46.19 43.40 2bk4 s LEU 46 CO 0.04 0.05 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.77 2bk4 s ARG 47 N -0.11 3.07 0.28 1.98 0.52 -1.26 -0.81 118.95 122.61 2bk4 s ARG 47 Ca 0.36 -0.85 -0.16 0.00 -0.52 0.00 0.00 55.73 54.55 2bk4 s ARG 47 Cb -0.20 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 32.90 2bk4 s ARG 47 CO 0.21 0.11 0.62 0.54 0.02 0.00 0.00 175.30 176.79 2bk4 s ASN 48 N 0.53 -0.12 0.35 0.23 2.20 -1.14 -5.01 114.94 111.99 2bk4 s ASN 48 Ca -0.14 -0.83 0.10 0.00 -0.94 0.00 0.00 52.86 51.06 2bk4 s ASN 48 Cb -0.17 0.68 0.66 0.00 -2.00 0.00 0.00 41.25 40.42 2bk4 s ASN 48 CO 0.05 -1.30 1.81 -0.61 -2.94 0.00 0.00 177.10 174.10 2bk4 h GLN 49 N 2.10 0.11 -0.06 3.55 4.15 -2.00 0.20 115.11 123.16 2bk4 h GLN 49 Ca -0.23 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.01 2bk4 h GLN 49 Cb 1.25 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2bk4 h GLN 49 CO 0.30 0.44 -0.59 0.87 -1.93 0.00 0.00 178.83 177.92 2bk4 h LYS 50 N 0.09 0.19 0.00 1.69 1.79 -2.02 -3.31 116.57 115.00 2bk4 h LYS 50 Ca 0.01 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2bk4 h LYS 50 Cb 0.66 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2bk4 h LYS 50 CO 0.05 0.73 -0.66 1.33 -1.08 0.00 0.00 179.45 179.81 2bk4 n VAL 51 N -3.87 0.00 0.00 0.50 0.24 -1.15 -4.98 118.33 109.07 2bk4 n VAL 51 Ca -0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2bk4 n VAL 51 Cb 0.61 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 2bk4 n VAL 51 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2bk4 n LYS 52 N -1.36 0.00 -3.88 7.34 4.81 0.69 -4.61 118.16 121.15 2bk4 n LYS 52 Ca 0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.34 2bk4 n LYS 52 Cb 0.15 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.10 2bk4 n LYS 52 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2bk4 s TYR 53 N 0.00 0.07 -0.15 5.64 -0.85 -1.26 -2.86 117.35 117.94 2bk4 s TYR 53 Ca 0.00 -0.20 -0.10 0.00 -0.52 0.00 0.00 57.07 56.25 2bk4 s TYR 53 Cb 0.00 -0.06 0.05 0.00 0.38 0.00 0.00 41.96 42.33 2bk4 s TYR 53 CO 0.00 -0.30 0.37 0.54 -1.52 0.00 0.00 175.55 174.64 2bk4 s VAL 54 N -1.59 -0.02 -0.16 -3.49 0.11 0.01 -4.98 120.40 110.28 2bk4 s VAL 54 Ca -0.13 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.70 2bk4 s VAL 54 Cb -0.07 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2bk4 s VAL 54 CO 0.01 0.03 1.24 -1.81 -3.33 0.00 0.00 175.10 171.24 2bk4 s ASP 55 N 0.97 6.97 -0.01 3.54 1.01 -1.26 -1.11 116.67 126.78 2bk4 s ASP 55 Ca -0.06 1.69 0.21 0.00 0.71 0.00 0.00 52.55 55.09 2bk4 s ASP 55 Cb -0.07 -2.54 -0.25 0.00 1.01 0.00 0.00 42.92 41.07 2bk4 s ASP 55 CO -0.08 -0.74 0.75 0.18 0.21 0.00 0.00 175.17 175.50 2bk4 n LEU 56 N 6.42 0.68 0.00 1.23 4.77 -0.03 -4.96 117.00 125.11 2bk4 n LEU 56 Ca 0.13 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2bk4 n LEU 56 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2bk4 n LEU 56 CO 0.55 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2bk4 n GLY 57 N 1.43 4.27 3.66 -0.72 0.00 -1.23 -4.75 105.19 107.84 2bk4 n GLY 57 Ca 0.02 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 2bk4 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 58 N 5.00 0.46 1.33 -0.02 0.00 -0.50 -4.87 105.19 106.59 2bk4 n GLY 58 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2bk4 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bk4 n SER 59 N 1.49 0.00 -4.77 1.61 2.88 -1.26 -4.67 113.62 108.90 2bk4 n SER 59 Ca 0.09 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.24 2bk4 n SER 59 Cb 0.33 0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.76 2bk4 n SER 59 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2bk4 s TYR 60 N -1.66 3.93 0.11 0.66 1.51 -1.26 -4.23 117.35 116.39 2bk4 s TYR 60 Ca 0.00 1.73 0.02 0.00 -1.01 0.00 0.00 57.07 57.82 2bk4 s TYR 60 Cb 0.00 -2.84 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 2bk4 s TYR 60 CO 0.00 0.48 -0.07 0.14 -1.11 0.00 0.00 175.55 174.99 2bk4 s VAL 61 N -1.18 0.78 0.31 0.71 -7.23 0.00 -4.89 120.40 108.89 2bk4 s VAL 61 Ca 0.38 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.45 2bk4 s VAL 61 Cb -0.24 -1.70 0.06 0.00 0.56 0.00 0.00 36.38 35.06 2bk4 s VAL 61 CO 0.28 -0.85 0.76 0.61 -0.31 0.00 0.00 175.10 175.60 2bk4 n GLY 62 N -0.06 0.98 3.62 2.32 0.00 -1.25 -0.69 105.19 110.12 2bk4 n GLY 62 Ca -0.12 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 2bk4 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bk4 n PRO 63 N -0.52 1.40 -0.42 1.61 -0.04 -1.26 -2.10 135.00 133.67 2bk4 n PRO 63 Ca -0.06 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2bk4 n PRO 63 Cb 0.53 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2bk4 n PRO 63 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bk4 n THR 64 N -0.54 0.00 -2.48 0.52 -2.24 -1.26 -4.79 114.28 103.48 2bk4 n THR 64 Ca 0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 2bk4 n THR 64 Cb 0.40 -0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 2bk4 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk4 n GLN 65 N -2.00 4.51 0.15 -0.78 6.02 -0.89 -4.82 117.38 119.58 2bk4 n GLN 65 Ca 0.00 -4.03 0.02 0.00 -0.01 0.00 0.00 57.00 52.98 2bk4 n GLN 65 Cb 0.00 -2.64 0.20 0.00 1.02 0.00 0.00 30.24 28.82 2bk4 n GLN 65 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2bk4 h ASN 66 N 5.02 0.00 -0.02 1.08 2.35 -1.90 -3.05 115.58 119.05 2bk4 h ASN 66 Ca 0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.20 2bk4 h ASN 66 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2bk4 h ASN 66 CO 1.42 0.52 -0.03 0.03 -1.65 0.00 0.00 177.43 177.72 2bk4 h ARG 67 N 0.00 0.06 -0.65 0.81 3.08 -1.90 -0.63 114.38 115.15 2bk4 h ARG 67 Ca -0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2bk4 h ARG 67 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 2bk4 h ARG 67 CO 0.07 0.56 0.23 0.97 -1.07 0.00 0.00 179.97 180.72 2bk4 h ILE 68 N -0.43 1.24 -0.55 2.04 6.09 -1.83 -1.16 117.51 122.90 2bk4 h ILE 68 Ca 0.00 -0.78 -0.04 0.00 -1.37 0.00 0.00 64.86 62.67 2bk4 h ILE 68 Cb 0.55 0.49 -0.02 0.00 0.47 0.00 0.00 36.82 38.31 2bk4 h ILE 68 CO 0.01 0.31 0.17 -0.07 -3.07 0.00 0.00 178.15 175.49 2bk4 h LEU 69 N 0.95 0.80 -0.23 2.19 3.38 -1.51 -1.12 115.31 119.77 2bk4 h LEU 69 Ca 0.22 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2bk4 h LEU 69 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2bk4 h LEU 69 CO -0.01 0.80 -0.02 -0.09 0.09 0.00 0.00 178.44 179.21 2bk4 h ARG 70 N 0.77 0.42 -0.35 1.13 1.12 -0.83 -1.74 114.38 114.90 2bk4 h ARG 70 Ca 0.18 -0.14 -0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2bk4 h ARG 70 Cb 0.28 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 2bk4 h ARG 70 CO -0.01 0.62 0.21 1.25 -3.11 0.00 0.00 179.97 178.94 2bk4 h LEU 71 N 0.18 0.42 -0.41 3.80 5.85 -1.18 -1.53 115.31 122.43 2bk4 h LEU 71 Ca 0.06 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2bk4 h LEU 71 Cb 0.44 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2bk4 h LEU 71 CO 0.02 0.34 0.18 0.00 -0.34 0.00 0.00 178.44 178.64 2bk4 h ALA 72 N 1.09 0.53 -0.45 1.25 0.00 -1.19 -2.12 119.26 118.38 2bk4 h ALA 72 Ca 0.13 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2bk4 h ALA 72 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2bk4 h ALA 72 CO -0.02 0.12 0.26 -0.22 0.00 0.00 0.00 179.25 179.38 2bk4 h LYS 73 N 0.52 0.50 -0.66 0.00 3.64 -1.18 -1.00 116.57 118.40 2bk4 h LYS 73 Ca 0.14 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2bk4 h LYS 73 Cb 0.15 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2bk4 h LYS 73 CO -0.01 0.33 0.43 1.49 -2.27 0.00 0.00 179.45 179.42 2bk4 h GLU 74 N 0.51 0.65 -0.00 1.90 4.81 -1.08 -0.10 114.58 121.28 2bk4 h GLU 74 Ca 0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2bk4 h GLU 74 Cb 0.03 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2bk4 h GLU 74 CO -0.09 0.43 -0.00 1.28 -0.73 0.00 0.00 179.01 179.90 2bk4 n LEU 75 N -4.48 0.11 0.00 1.64 4.77 -0.70 -4.89 117.00 113.45 2bk4 n LEU 75 Ca 0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2bk4 n LEU 75 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2bk4 n LEU 75 CO 0.34 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2bk4 n GLY 76 N 1.03 0.72 3.92 -0.72 0.00 -0.05 -5.06 105.19 105.03 2bk4 n GLY 76 Ca 0.23 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 2bk4 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bk4 s LEU 77 N 0.00 4.04 0.14 0.99 1.43 -0.46 -5.00 118.68 119.81 2bk4 s LEU 77 Ca 0.00 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 53.79 2bk4 s LEU 77 Cb 0.00 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 2bk4 s LEU 77 CO 0.00 -0.23 -0.14 -1.61 0.23 0.00 0.00 176.35 174.60 2bk4 s GLU 78 N -3.80 1.10 0.32 1.70 2.02 -1.26 -4.20 118.70 114.59 2bk4 s GLU 78 Ca 0.43 -1.35 0.08 0.00 0.02 0.00 0.00 54.97 54.14 2bk4 s GLU 78 Cb -0.10 -0.91 -0.03 0.00 0.10 0.00 0.00 34.13 33.18 2bk4 s GLU 78 CO 0.32 0.16 0.26 0.95 0.02 0.00 0.00 175.26 176.97 2bk4 s THR 79 N -2.52 3.59 0.09 3.63 -4.23 -1.26 -0.69 115.64 114.26 2bk4 s THR 79 Ca 0.13 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2bk4 s THR 79 Cb -0.03 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 2bk4 s THR 79 CO 0.03 -0.20 -0.02 -0.72 -0.54 0.00 0.00 174.62 173.17 2bk4 s TYR 80 N -2.30 0.78 -0.07 3.99 -0.85 -0.38 -4.78 117.35 113.74 2bk4 s TYR 80 Ca 0.39 -1.05 -0.24 0.00 -0.52 0.00 0.00 57.07 55.65 2bk4 s TYR 80 Cb -0.06 -0.48 -0.03 0.00 0.38 0.00 0.00 41.96 41.77 2bk4 s TYR 80 CO 0.26 -0.32 0.73 0.15 -1.52 0.00 0.00 175.55 174.85 2bk4 s LYS 81 N -3.92 4.43 0.34 -3.49 1.02 -1.26 -1.58 119.74 115.28 2bk4 s LYS 81 Ca 0.14 0.93 -0.29 0.00 0.02 0.00 0.00 55.97 56.77 2bk4 s LYS 81 Cb 0.07 -3.46 -0.11 0.00 -0.52 0.00 0.00 37.83 33.81 2bk4 s LYS 81 CO -0.04 0.02 1.55 0.28 -0.92 0.00 0.00 175.35 176.24 2bk4 n VAL 82 N 3.88 1.53 -1.86 3.17 0.31 -0.09 -4.88 118.33 120.39 2bk4 n VAL 82 Ca -0.00 -0.38 -0.43 0.00 -0.01 0.00 0.00 64.34 63.52 2bk4 n VAL 82 Cb 0.51 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 2bk4 n VAL 82 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2bk4 s ASN 83 N 0.18 6.20 -0.05 4.52 2.47 -1.26 -4.83 114.94 122.18 2bk4 s ASN 83 Ca 0.58 2.04 0.23 0.00 0.42 0.00 0.00 52.86 56.14 2bk4 s ASN 83 Cb -0.48 -2.53 0.43 0.00 -1.45 0.00 0.00 41.25 37.23 2bk4 s ASN 83 CO 0.57 -1.34 1.18 1.21 -3.72 0.00 0.00 177.10 174.99 2bk4 n GLU 84 N 7.84 0.36 -0.02 0.43 2.13 -1.26 -4.69 120.64 125.43 2bk4 n GLU 84 Ca 0.22 -2.30 -0.12 0.00 0.66 0.00 0.00 57.16 55.62 2bk4 n GLU 84 Cb 0.44 -0.35 -0.08 0.00 0.27 0.00 0.00 31.44 31.72 2bk4 n GLU 84 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bk4 h VAL 85 N 5.93 1.29 -2.87 6.31 2.07 -1.92 -3.46 116.25 123.58 2bk4 h VAL 85 Ca -0.18 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2bk4 h VAL 85 Cb 1.72 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2bk4 h VAL 85 CO 0.09 0.25 0.00 -0.62 0.02 0.00 0.00 177.57 177.31 2bk4 n GLU 86 N -4.81 0.69 -2.67 1.57 4.71 -1.26 -4.99 120.64 113.87 2bk4 n GLU 86 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.71 2bk4 n GLU 86 Cb 0.22 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.60 2bk4 n GLU 86 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2bk4 s ARG 87 N -1.98 4.42 0.65 3.49 0.52 -0.52 -4.19 118.95 121.34 2bk4 s ARG 87 Ca 0.00 1.42 -0.10 0.00 -0.52 0.00 0.00 55.73 56.53 2bk4 s ARG 87 Cb 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.76 2bk4 s ARG 87 CO 0.00 0.11 1.02 -0.51 0.02 0.00 0.00 175.30 175.94 2bk4 s LEU 88 N -2.27 3.08 -0.08 2.53 1.02 0.07 -1.04 118.68 121.99 2bk4 s LEU 88 Ca 0.53 1.07 0.03 0.00 0.02 0.00 0.00 54.13 55.77 2bk4 s LEU 88 Cb -0.20 -3.92 0.01 0.00 0.02 0.00 0.00 46.19 42.10 2bk4 s LEU 88 CO 0.26 -1.15 -0.16 -0.63 0.02 0.00 0.00 176.35 174.69 2bk4 s ILE 89 N -3.21 1.44 -0.27 -0.59 1.01 -0.71 -0.72 121.20 118.16 2bk4 s ILE 89 Ca 0.56 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 2bk4 s ILE 89 Cb -0.11 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 2bk4 s ILE 89 CO 0.50 0.42 0.07 -2.28 0.00 0.00 0.00 174.94 173.65 2bk4 s HIS 90 N 0.56 3.11 -0.30 3.97 5.65 -0.63 -0.22 115.29 127.42 2bk4 s HIS 90 Ca -0.16 -0.75 -0.10 0.00 0.25 0.00 0.00 55.06 54.30 2bk4 s HIS 90 Cb -0.17 -2.24 -0.02 0.00 -1.18 0.00 0.00 32.58 28.97 2bk4 s HIS 90 CO 0.05 -0.49 0.16 -1.58 -0.65 0.00 0.00 174.74 172.23 2bk4 s HIS 91 N 1.55 3.18 -0.05 3.88 2.46 0.16 -0.28 115.29 126.19 2bk4 s HIS 91 Ca 0.04 -0.35 -0.03 0.00 0.47 0.00 0.00 55.06 55.19 2bk4 s HIS 91 Cb -0.16 -2.35 0.02 0.00 -0.13 0.00 0.00 32.58 29.96 2bk4 s HIS 91 CO 0.03 -0.36 0.11 0.54 -2.47 0.00 0.00 174.74 172.59 2bk4 s VAL 92 N 1.66 -0.02 -1.46 0.89 0.11 -0.02 -1.83 120.40 119.72 2bk4 s VAL 92 Ca 0.06 0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.11 2bk4 s VAL 92 Cb -0.16 -0.18 0.05 0.00 -1.53 0.00 0.00 36.38 34.56 2bk4 s VAL 92 CO 0.07 0.03 0.80 0.29 -3.33 0.00 0.00 175.10 172.96 2bk4 n LYS 93 N 3.53 -4.80 -1.11 1.54 4.76 -1.26 -2.05 118.16 118.77 2bk4 n LYS 93 Ca -0.18 0.56 -0.04 0.00 -2.87 0.00 0.00 58.31 55.77 2bk4 n LYS 93 Cb 0.56 -5.22 -0.02 0.00 -1.84 0.00 0.00 35.03 28.52 2bk4 n LYS 93 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bk4 n GLY 94 N -1.67 0.67 2.88 0.72 0.00 -1.26 -5.01 105.19 101.51 2bk4 n GLY 94 Ca -0.11 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 2bk4 n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bk4 s LYS 95 N -1.95 0.16 -0.13 1.61 2.20 -0.87 -5.09 119.74 115.67 2bk4 s LYS 95 Ca 0.00 -0.03 -0.15 0.00 -0.36 0.00 0.00 55.97 55.43 2bk4 s LYS 95 Cb 0.00 -0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.08 2bk4 s LYS 95 CO 0.00 0.00 0.34 -1.12 -0.36 0.00 0.00 175.35 174.22 2bk4 s SER 96 N 0.16 6.54 -0.31 1.43 0.01 -1.26 -0.84 113.70 119.42 2bk4 s SER 96 Ca -0.01 0.63 0.02 0.00 1.31 0.00 0.00 55.95 57.91 2bk4 s SER 96 Cb -0.03 -2.21 0.09 0.00 0.21 0.00 0.00 66.02 64.08 2bk4 s SER 96 CO -0.00 0.12 0.04 -0.31 0.41 0.00 0.00 173.24 173.50 2bk4 s TYR 97 N 0.22 3.08 0.50 2.43 1.51 0.62 -4.98 117.35 120.72 2bk4 s TYR 97 Ca 0.19 -2.51 -0.21 0.00 -1.01 0.00 0.00 57.07 53.53 2bk4 s TYR 97 Cb -0.14 -2.41 -0.07 0.00 -0.11 0.00 0.00 41.96 39.24 2bk4 s TYR 97 CO 0.07 -0.91 1.14 -2.14 -1.11 0.00 0.00 175.55 172.60 2bk4 s PRO 98 N 1.14 3.59 0.26 -1.71 0.02 -1.26 -1.61 135.00 135.44 2bk4 s PRO 98 Ca 0.07 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.58 2bk4 s PRO 98 Cb -0.19 -2.21 0.01 0.00 0.02 0.00 0.00 34.50 32.13 2bk4 s PRO 98 CO -0.12 -0.67 0.62 -0.59 -0.33 0.00 0.00 177.00 175.92 2bk4 s PHE 99 N -1.67 0.02 0.16 6.54 -0.12 0.11 -4.93 117.98 118.08 2bk4 s PHE 99 Ca 0.68 -0.43 0.07 0.00 -0.05 0.00 0.00 56.93 57.19 2bk4 s PHE 99 Cb -0.26 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 2bk4 s PHE 99 CO 0.30 -1.13 -0.15 1.03 -0.05 0.00 0.00 175.22 175.22 2bk4 s ARG 100 N -3.95 1.18 0.00 1.99 0.52 -1.26 -0.75 118.95 116.67 2bk4 s ARG 100 Ca 0.15 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 2bk4 s ARG 100 Cb -0.04 -1.07 0.00 0.00 0.52 0.00 0.00 34.95 34.36 2bk4 s ARG 100 CO 0.07 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.00 2bk4 n GLY 101 N 0.17 0.40 0.24 -3.53 0.00 -1.26 -4.79 105.19 96.41 2bk4 n GLY 101 Ca -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 2bk4 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk4 h PRO 102 N 0.00 0.45 -6.35 1.61 0.13 -1.97 -3.45 132.00 122.43 2bk4 h PRO 102 Ca 0.00 -0.17 -0.69 0.00 -0.87 0.00 0.00 66.00 64.27 2bk4 h PRO 102 Cb 0.00 -0.03 -0.22 0.00 0.13 0.00 0.00 31.00 30.88 2bk4 h PRO 102 CO 0.00 0.68 -0.77 -0.06 -0.23 0.00 0.00 178.00 177.62 2bk4 s PHE 103 N -4.49 2.71 0.14 1.56 0.40 -1.26 -4.91 117.98 112.13 2bk4 s PHE 103 Ca -0.07 -0.15 -0.31 0.00 -0.60 0.00 0.00 56.93 55.80 2bk4 s PHE 103 Cb 0.14 -1.61 -0.08 0.00 0.51 0.00 0.00 43.02 41.98 2bk4 s PHE 103 CO 0.79 0.21 1.38 -2.14 0.70 0.00 0.00 175.22 176.16 2bk4 s PRO 104 N -0.88 4.33 0.64 0.24 0.02 -1.26 -4.92 135.00 133.18 2bk4 s PRO 104 Ca 0.12 2.09 -0.13 0.00 0.02 0.00 0.00 61.00 63.10 2bk4 s PRO 104 Cb -0.11 -3.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 2bk4 s PRO 104 CO 0.02 -0.40 1.05 -1.25 -0.33 0.00 0.00 177.00 176.09 2bk4 s PRO 105 N 0.75 3.17 -0.03 5.54 0.04 -1.26 -5.07 135.00 138.13 2bk4 s PRO 105 Ca 0.63 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2bk4 s PRO 105 Cb -0.37 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2bk4 s PRO 105 CO 0.33 -0.92 -0.12 0.08 0.04 0.00 0.00 177.00 176.41 2bk4 s VAL 106 N -2.79 1.04 -0.19 -0.36 1.01 -1.26 -5.08 120.40 112.77 2bk4 s VAL 106 Ca 0.60 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2bk4 s VAL 106 Cb -0.14 -0.91 -0.12 0.00 0.00 0.00 0.00 36.38 35.21 2bk4 s VAL 106 CO 0.46 0.31 -0.19 0.79 0.00 0.00 0.00 175.10 176.48 2bk4 n TRP 107 N 3.21 0.00 -1.70 5.22 7.02 -1.26 -4.76 117.44 125.17 2bk4 n TRP 107 Ca -0.18 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.87 2bk4 n TRP 107 Cb 0.54 -0.73 -0.03 0.00 -2.42 0.00 0.00 31.31 28.66 2bk4 n TRP 107 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2bk4 n ASN 108 N -3.25 3.64 -0.24 -0.99 2.85 -1.26 -4.86 115.26 111.16 2bk4 n ASN 108 Ca -0.35 1.08 -0.07 0.00 -0.11 0.00 0.00 54.58 55.13 2bk4 n ASN 108 Cb 0.84 -1.52 0.04 0.00 1.24 0.00 0.00 39.78 40.38 2bk4 n ASN 108 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2bk4 h PRO 109 N 6.17 0.98 -0.26 1.20 0.11 -1.99 0.26 132.00 138.47 2bk4 h PRO 109 Ca -0.44 -0.17 -0.11 0.00 0.11 0.00 0.00 66.00 65.39 2bk4 h PRO 109 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2bk4 h PRO 109 CO 0.91 0.82 -0.26 0.82 -0.21 0.00 0.00 178.00 180.08 2bk4 h ILE 110 N 0.92 1.31 -0.82 4.15 1.08 -2.00 -2.05 117.51 120.11 2bk4 h ILE 110 Ca 0.22 -1.42 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 2bk4 h ILE 110 Cb 0.20 1.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 2bk4 h ILE 110 CO -0.02 0.45 0.46 0.74 -0.69 0.00 0.00 178.15 179.09 2bk4 h THR 111 N 0.34 1.24 -0.26 -0.27 2.02 -1.87 -1.82 112.91 112.29 2bk4 h THR 111 Ca 0.04 -0.58 0.05 0.00 0.77 0.00 0.00 66.41 66.69 2bk4 h THR 111 Cb 0.82 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2bk4 h THR 111 CO 0.06 0.26 -0.03 0.22 0.37 0.00 0.00 175.52 176.40 2bk4 h TYR 112 N 1.13 -0.08 -0.84 3.16 5.03 -0.30 -0.19 116.97 124.88 2bk4 h TYR 112 Ca 0.29 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.63 2bk4 h TYR 112 Cb 0.01 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.33 2bk4 h TYR 112 CO 0.00 -0.08 0.55 -0.07 -1.32 0.00 0.00 178.16 177.24 2bk4 h LEU 113 N 0.03 0.98 -0.18 2.82 3.38 -1.13 -0.97 115.31 120.24 2bk4 h LEU 113 Ca 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2bk4 h LEU 113 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2bk4 h LEU 113 CO -0.24 0.71 -0.01 -0.78 0.09 0.00 0.00 178.44 178.22 2bk4 h ASP 114 N 1.15 0.33 -0.18 -0.43 3.58 -0.90 -0.49 116.42 119.47 2bk4 h ASP 114 Ca 0.31 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2bk4 h ASP 114 Cb -0.12 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2bk4 h ASP 114 CO -0.07 0.57 0.10 0.45 -2.88 0.00 0.00 179.24 177.41 2bk4 h HIS 115 N 0.08 0.25 -0.42 0.28 3.86 -0.96 -1.34 115.15 116.90 2bk4 h HIS 115 Ca 0.05 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2bk4 h HIS 115 Cb 0.40 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 2bk4 h HIS 115 CO 0.04 0.24 0.18 -0.97 0.86 0.00 0.00 177.93 178.28 2bk4 h ASN 116 N 0.18 0.23 -0.33 2.45 -0.73 -1.10 -2.60 115.58 113.69 2bk4 h ASN 116 Ca 0.06 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 2bk4 h ASN 116 Cb 0.08 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2bk4 h ASN 116 CO -0.01 0.17 0.03 -1.13 -0.37 0.00 0.00 177.43 176.12 2bk4 h ASN 117 N 0.37 0.62 0.61 1.15 -0.73 -0.96 -2.56 115.58 114.08 2bk4 h ASN 117 Ca 0.19 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 2bk4 h ASN 117 Cb 0.14 -0.16 0.01 0.00 0.27 0.00 0.00 38.32 38.57 2bk4 h ASN 117 CO -0.16 0.67 -0.30 0.15 -0.37 0.00 0.00 177.43 177.42 2bk4 h PHE 118 N 0.63 -0.77 -0.52 0.67 3.57 -0.85 0.46 116.94 120.12 2bk4 h PHE 118 Ca 0.13 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2bk4 h PHE 118 Cb 0.35 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2bk4 h PHE 118 CO 0.02 -0.47 0.28 -1.49 -2.23 0.00 0.00 178.31 174.41 2bk4 h TRP 119 N -0.83 0.73 -0.58 0.41 4.06 -1.54 -2.10 115.95 116.09 2bk4 h TRP 119 Ca -0.08 -0.02 0.04 0.00 2.06 0.00 0.00 58.89 60.89 2bk4 h TRP 119 Cb 0.64 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.52 2bk4 h TRP 119 CO -0.03 0.54 0.32 -0.09 -3.56 0.00 0.00 178.44 175.62 2bk4 h ARG 120 N 0.70 0.59 -0.53 0.49 2.43 -1.43 -2.67 114.38 113.97 2bk4 h ARG 120 Ca 0.18 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 2bk4 h ARG 120 Cb 0.06 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2bk4 h ARG 120 CO -0.03 0.39 -0.14 1.15 -1.51 0.00 0.00 179.97 179.84 2bk4 h THR 121 N 0.61 1.27 -0.54 0.20 2.02 -0.67 0.49 112.91 116.29 2bk4 h THR 121 Ca 0.25 -1.30 0.09 0.00 0.77 0.00 0.00 66.41 66.22 2bk4 h THR 121 Cb 0.12 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 2bk4 h THR 121 CO -0.15 0.46 0.13 0.24 0.37 0.00 0.00 175.52 176.57 2bk4 h MET 122 N 0.91 0.26 -0.21 6.66 2.86 -1.22 -0.35 114.93 123.84 2bk4 h MET 122 Ca 0.13 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.58 2bk4 h MET 122 Cb 0.71 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2bk4 h MET 122 CO 0.05 0.17 -0.60 -0.44 1.06 0.00 0.00 176.91 177.16 2bk4 h ASP 123 N 0.27 0.78 -0.17 1.22 3.32 -1.19 -2.18 116.42 118.47 2bk4 h ASP 123 Ca 0.28 -0.44 0.02 0.00 0.02 0.00 0.00 57.03 56.91 2bk4 h ASP 123 Cb 0.38 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2bk4 h ASP 123 CO -0.34 1.20 0.03 0.44 -1.72 0.00 0.00 179.24 178.85 2bk4 h ASP 124 N 0.51 0.01 -0.75 6.45 3.32 -0.51 -2.12 116.42 123.33 2bk4 h ASP 124 Ca -0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2bk4 h ASP 124 Cb 1.19 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 2bk4 h ASP 124 CO 0.12 0.03 0.45 0.24 -1.72 0.00 0.00 179.24 178.36 2bk4 h MET 125 N 0.10 1.02 -0.16 3.56 2.86 -1.09 -2.89 114.93 118.32 2bk4 h MET 125 Ca 0.08 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2bk4 h MET 125 Cb 0.07 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2bk4 h MET 125 CO -0.10 0.72 0.06 0.78 1.06 0.00 0.00 176.91 179.43 2bk4 h GLY 126 N 1.02 0.24 2.00 8.32 0.00 -0.96 -2.14 103.07 111.55 2bk4 h GLY 126 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2bk4 h GLY 126 CO -0.05 0.10 0.00 3.21 0.00 0.00 0.00 176.54 179.80 2bk4 h ARG 127 N 0.22 0.00 -0.19 4.80 3.08 -1.17 -1.03 114.38 120.08 2bk4 h ARG 127 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2bk4 h ARG 127 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2bk4 h ARG 127 CO -0.01 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.28 2bk4 n GLU 128 N -2.84 1.96 -3.83 0.04 -0.58 -0.80 -4.84 120.64 109.74 2bk4 n GLU 128 Ca -0.01 -1.43 -0.36 0.00 -0.42 0.00 0.00 57.16 54.93 2bk4 n GLU 128 Cb 0.14 -1.44 -0.13 0.00 -0.57 0.00 0.00 31.44 29.44 2bk4 n GLU 128 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2bk4 s ILE 129 N -1.76 3.37 0.20 -3.67 1.01 -0.39 -4.19 121.20 115.77 2bk4 s ILE 129 Ca 0.34 -1.27 -0.31 0.00 0.00 0.00 0.00 60.65 59.40 2bk4 s ILE 129 Cb 0.19 -2.92 -0.11 0.00 0.01 0.00 0.00 42.46 39.63 2bk4 s ILE 129 CO 0.28 -0.15 1.62 -2.84 0.00 0.00 0.00 174.94 173.86 2bk4 s PRO 130 N 1.32 4.17 0.25 2.79 0.02 -1.26 -4.91 135.00 137.38 2bk4 s PRO 130 Ca -0.03 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.41 2bk4 s PRO 130 Cb -0.20 -3.10 0.32 0.00 0.02 0.00 0.00 34.50 31.54 2bk4 s PRO 130 CO 0.01 -0.65 1.90 0.77 -0.33 0.00 0.00 177.00 178.70 2bk4 h SER 131 N 6.40 1.05 -0.01 2.53 0.02 -1.94 -2.28 113.55 119.32 2bk4 h SER 131 Ca -0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2bk4 h SER 131 Cb 1.21 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2bk4 h SER 131 CO 0.90 0.72 -0.00 -0.90 -1.14 0.00 0.00 176.83 176.41 2bk4 n ASP 132 N -4.47 1.34 -2.73 3.07 5.75 -1.26 -4.54 116.55 113.71 2bk4 n ASP 132 Ca 0.13 -1.44 -0.08 0.00 -0.01 0.00 0.00 54.79 53.39 2bk4 n ASP 132 Cb 0.10 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.25 2bk4 n ASP 132 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bk4 n ALA 133 N 0.05 -1.68 0.24 2.12 0.00 -0.96 -5.02 120.51 115.27 2bk4 n ALA 133 Ca 0.19 -1.22 0.10 0.00 0.00 0.00 0.00 53.44 52.52 2bk4 n ALA 133 Cb 0.33 -1.64 0.69 0.00 0.00 0.00 0.00 19.45 18.82 2bk4 n ALA 133 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bk4 h PRO 134 N 3.63 0.00 0.00 0.00 0.13 -1.66 0.11 132.00 134.21 2bk4 h PRO 134 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2bk4 h PRO 134 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2bk4 h PRO 134 CO 0.21 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.31 2bk4 n TRP 135 N -4.42 0.00 1.06 1.56 2.14 -1.26 -1.74 117.44 114.78 2bk4 n TRP 135 Ca -0.02 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.67 2bk4 n TRP 135 Cb 0.13 -0.46 0.31 0.00 -0.81 0.00 0.00 31.31 30.49 2bk4 n TRP 135 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2bk4 n LYS 136 N -1.46 2.03 -1.73 -2.67 5.02 0.03 -4.80 118.16 114.58 2bk4 n LYS 136 Ca 0.01 -1.52 -0.42 0.00 -2.02 0.00 0.00 58.31 54.37 2bk4 n LYS 136 Cb 0.05 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2bk4 n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bk4 n ALA 137 N 0.79 1.78 -0.34 7.82 0.00 -0.71 -4.88 120.51 124.95 2bk4 n ALA 137 Ca 0.17 0.35 0.12 0.00 0.00 0.00 0.00 53.44 54.08 2bk4 n ALA 137 Cb 0.46 -2.33 0.32 0.00 0.00 0.00 0.00 19.45 17.91 2bk4 n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bk4 h PRO 138 N 2.70 0.77 -0.73 0.00 0.11 -1.92 -1.22 132.00 131.70 2bk4 h PRO 138 Ca -0.48 -0.05 -0.40 0.00 0.11 0.00 0.00 66.00 65.19 2bk4 h PRO 138 Cb 1.27 -0.17 -0.23 0.00 0.11 0.00 0.00 31.00 31.97 2bk4 h PRO 138 CO 0.63 0.51 0.33 1.28 -0.21 0.00 0.00 178.00 180.54 2bk4 n LEU 139 N -4.68 5.71 -0.15 2.35 4.77 -1.26 -4.80 117.00 118.94 2bk4 n LEU 139 Ca 0.21 -3.76 -0.03 0.00 -0.03 0.00 0.00 56.01 52.40 2bk4 n LEU 139 Cb 0.52 -0.76 0.04 0.00 -2.33 0.00 0.00 43.42 40.89 2bk4 n LEU 139 CO 0.24 1.20 0.81 0.00 -1.33 0.00 0.00 177.39 178.31 2bk4 h ALA 140 N 1.10 0.38 -0.10 -1.18 0.00 -1.53 -0.62 119.26 117.31 2bk4 h ALA 140 Ca 0.46 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 2bk4 h ALA 140 Cb 2.22 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 20.31 2bk4 h ALA 140 CO 0.84 -0.42 -0.00 0.93 0.00 0.00 0.00 179.25 180.60 2bk4 h GLU 141 N 0.05 0.18 -0.50 0.00 5.08 -1.87 0.12 114.58 117.64 2bk4 h GLU 141 Ca 0.23 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2bk4 h GLU 141 Cb 0.35 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 2bk4 h GLU 141 CO -0.44 0.44 0.11 1.49 -1.00 0.00 0.00 179.01 179.60 2bk4 h GLU 142 N -0.09 0.24 -0.00 2.33 4.81 -1.85 -0.76 114.58 119.25 2bk4 h GLU 142 Ca 0.03 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 2bk4 h GLU 142 Cb 0.35 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2bk4 h GLU 142 CO 0.01 0.16 -0.81 -1.49 -0.73 0.00 0.00 179.01 176.14 2bk4 h TRP 143 N 0.25 0.15 0.00 0.92 6.55 -1.01 -3.13 115.95 119.67 2bk4 h TRP 143 Ca 0.25 -0.08 -0.03 0.00 0.95 0.00 0.00 58.89 59.98 2bk4 h TRP 143 Cb 0.33 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.61 2bk4 h TRP 143 CO -0.22 0.87 -0.14 0.22 -1.05 0.00 0.00 178.44 178.12 2bk4 h ASP 144 N 0.06 0.00 -0.33 -3.49 3.58 -0.33 -2.23 116.42 113.68 2bk4 h ASP 144 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2bk4 h ASP 144 Cb 1.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2bk4 h ASP 144 CO 0.12 0.14 0.00 0.59 -2.88 0.00 0.00 179.24 177.21 2bk4 n ASN 145 N -3.21 1.89 -4.22 2.28 3.02 -0.33 -0.61 115.26 114.07 2bk4 n ASN 145 Ca 0.01 -1.95 -0.26 0.00 -0.03 0.00 0.00 54.58 52.36 2bk4 n ASN 145 Cb 0.46 -0.22 -0.15 0.00 -0.61 0.00 0.00 39.78 39.26 2bk4 n ASN 145 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2bk4 s MET 146 N -1.57 1.44 0.61 3.52 1.75 -1.21 -4.93 119.30 118.92 2bk4 s MET 146 Ca 0.26 -0.83 -0.07 0.00 -1.25 0.00 0.00 55.69 53.80 2bk4 s MET 146 Cb 0.13 -1.48 0.01 0.00 2.84 0.00 0.00 34.83 36.33 2bk4 s MET 146 CO 0.18 0.39 0.94 0.95 -0.65 0.00 0.00 175.02 176.83 2bk4 s THR 147 N -0.66 3.63 0.48 10.11 -4.23 -1.26 -1.08 115.64 122.63 2bk4 s THR 147 Ca 0.07 0.10 0.17 0.00 -1.18 0.00 0.00 61.69 60.84 2bk4 s THR 147 Cb -0.08 -3.46 0.23 0.00 1.34 0.00 0.00 72.50 70.53 2bk4 s THR 147 CO 0.01 -0.50 2.07 0.24 -0.54 0.00 0.00 174.62 175.89 2bk4 h MET 148 N -0.26 0.00 -0.18 3.99 2.86 -0.76 -2.32 114.93 118.24 2bk4 h MET 148 Ca -0.45 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.20 2bk4 h MET 148 Cb 1.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 2bk4 h MET 148 CO 0.61 0.11 0.10 -0.22 1.06 0.00 0.00 176.91 178.57 2bk4 h LYS 149 N 0.00 0.21 -0.28 1.72 1.63 -1.63 0.26 116.57 118.48 2bk4 h LYS 149 Ca -0.00 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2bk4 h LYS 149 Cb 0.20 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2bk4 h LYS 149 CO 0.01 0.14 0.17 0.93 -3.45 0.00 0.00 179.45 177.25 2bk4 h GLU 150 N 0.21 0.33 -0.33 1.90 5.08 -1.79 -0.54 114.58 119.45 2bk4 h GLU 150 Ca 0.07 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2bk4 h GLU 150 Cb 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2bk4 h GLU 150 CO -0.04 0.22 0.15 1.25 -1.00 0.00 0.00 179.01 179.59 2bk4 h LEU 151 N 0.34 0.20 -0.75 1.33 5.85 -1.26 -2.10 115.31 118.94 2bk4 h LEU 151 Ca 0.11 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2bk4 h LEU 151 Cb -0.01 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2bk4 h LEU 151 CO -0.05 0.16 0.21 -0.07 -0.34 0.00 0.00 178.44 178.35 2bk4 h LEU 152 N 0.31 1.09 -1.43 2.25 3.38 -0.80 0.03 115.31 120.15 2bk4 h LEU 152 Ca 0.14 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2bk4 h LEU 152 Cb 0.08 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2bk4 h LEU 152 CO -0.12 1.02 0.40 0.44 0.09 0.00 0.00 178.44 180.27 2bk4 h ASP 153 N 1.11 0.66 -0.07 -0.43 3.32 -0.93 -0.27 116.42 119.80 2bk4 h ASP 153 Ca 0.24 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 2bk4 h ASP 153 Cb 0.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2bk4 h ASP 153 CO -0.00 0.47 -0.30 0.50 -1.72 0.00 0.00 179.24 178.19 2bk4 h LYS 154 N 0.78 0.33 0.21 3.56 3.64 -0.87 -3.38 116.57 120.84 2bk4 h LYS 154 Ca 0.22 -0.26 -0.32 0.00 -1.27 0.00 0.00 60.65 59.02 2bk4 h LYS 154 Cb -0.04 0.05 0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2bk4 h LYS 154 CO -0.05 0.89 -1.41 -0.07 -2.27 0.00 0.00 179.45 176.55 2bk4 h LEU 155 N -0.15 0.84 -8.63 5.20 3.38 -0.74 -3.44 115.31 111.76 2bk4 h LEU 155 Ca -0.02 -0.86 -0.65 0.00 0.09 0.00 0.00 57.88 56.44 2bk4 h LEU 155 Cb 0.94 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.27 2bk4 h LEU 155 CO 0.06 1.67 0.10 0.00 0.09 0.00 0.00 178.44 180.36 2bk4 n TRP 157 N 6.17 0.00 -4.53 0.00 7.02 -1.26 -4.83 117.44 120.00 2bk4 n TRP 157 Ca -0.02 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.18 2bk4 n TRP 157 Cb 0.48 -0.38 -0.13 0.00 -2.42 0.00 0.00 31.31 28.85 2bk4 n TRP 157 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2bk4 s THR 158 N -3.00 2.06 0.34 -0.99 -4.23 -1.26 -5.03 115.64 103.53 2bk4 s THR 158 Ca 0.13 -1.56 0.07 0.00 -1.18 0.00 0.00 61.69 59.14 2bk4 s THR 158 Cb 0.18 -1.81 0.11 0.00 1.34 0.00 0.00 72.50 72.32 2bk4 s THR 158 CO 0.61 0.15 1.81 -0.33 -0.54 0.00 0.00 174.62 176.32 2bk4 h GLU 159 N 4.26 0.31 0.02 3.99 4.39 -1.99 -2.25 114.58 123.32 2bk4 h GLU 159 Ca -0.48 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.15 2bk4 h GLU 159 Cb 1.16 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 2bk4 h GLU 159 CO 0.41 0.52 -0.18 1.03 -1.16 0.00 0.00 179.01 179.63 2bk4 h SER 160 N 0.29 -0.52 -0.58 1.42 0.87 -1.99 0.04 113.55 113.08 2bk4 h SER 160 Ca 0.05 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 2bk4 h SER 160 Cb 0.55 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 2bk4 h SER 160 CO 0.04 -0.25 0.14 0.00 -0.53 0.00 0.00 176.83 176.23 2bk4 h ALA 161 N 0.59 0.76 -0.55 6.23 0.00 -1.88 -2.60 119.26 121.82 2bk4 h ALA 161 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2bk4 h ALA 161 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2bk4 h ALA 161 CO -0.16 0.46 0.02 -0.22 0.00 0.00 0.00 179.25 179.35 2bk4 h LYS 162 N 0.83 0.93 -0.37 0.00 3.64 -1.21 0.13 116.57 120.53 2bk4 h LYS 162 Ca 0.18 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2bk4 h LYS 162 Cb 0.34 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2bk4 h LYS 162 CO 0.00 0.92 0.18 1.96 -2.27 0.00 0.00 179.45 180.23 2bk4 h GLN 163 N 0.87 0.53 -0.35 1.90 4.20 -0.91 -0.69 115.11 120.65 2bk4 h GLN 163 Ca 0.16 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 2bk4 h GLN 163 Cb 0.49 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2bk4 h GLN 163 CO 0.02 0.48 -0.17 1.25 -0.67 0.00 0.00 178.83 179.75 2bk4 h LEU 164 N 0.46 0.76 -1.08 1.46 5.85 -1.17 -2.18 115.31 119.40 2bk4 h LEU 164 Ca 0.13 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2bk4 h LEU 164 Cb 0.12 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2bk4 h LEU 164 CO -0.02 0.99 0.62 0.00 -0.34 0.00 0.00 178.44 179.70 2bk4 h ALA 165 N 0.79 1.36 -0.28 1.25 0.00 -0.68 0.29 119.26 122.00 2bk4 h ALA 165 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2bk4 h ALA 165 Cb 0.71 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bk4 h ALA 165 CO 0.05 0.56 -0.00 1.15 0.00 0.00 0.00 179.25 181.01 2bk4 h THR 166 N 1.23 1.26 -0.52 0.00 2.02 -1.05 -1.71 112.91 114.13 2bk4 h THR 166 Ca 0.36 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.64 2bk4 h THR 166 Cb -0.06 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2bk4 h THR 166 CO -0.10 0.30 0.32 0.25 0.37 0.00 0.00 175.52 176.66 2bk4 h LEU 167 N 0.27 0.53 -0.48 2.58 6.46 -0.99 -0.98 115.31 122.70 2bk4 h LEU 167 Ca 0.08 -0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.92 2bk4 h LEU 167 Cb 0.43 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.17 2bk4 h LEU 167 CO 0.01 0.37 0.05 0.15 -0.62 0.00 0.00 178.44 178.41 2bk4 h PHE 168 N 0.64 0.06 0.04 1.25 3.57 -0.73 0.59 116.94 122.37 2bk4 h PHE 168 Ca 0.20 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2bk4 h PHE 168 Cb -0.00 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2bk4 h PHE 168 CO -0.06 -0.05 -0.02 0.28 -2.23 0.00 0.00 178.31 176.23 2bk4 h VAL 169 N 0.17 1.05 -0.77 1.41 2.07 -0.92 -0.94 116.25 118.32 2bk4 h VAL 169 Ca 0.24 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2bk4 h VAL 169 Cb 0.34 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 2bk4 h VAL 169 CO -0.36 0.07 0.41 0.78 0.02 0.00 0.00 177.57 178.50 2bk4 h ASN 170 N -0.19 0.55 -0.25 0.57 -0.26 -0.77 -1.92 115.58 113.32 2bk4 h ASN 170 Ca -0.01 0.06 -0.17 0.00 -0.56 0.00 0.00 56.30 55.62 2bk4 h ASN 170 Cb 0.17 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2bk4 h ASN 170 CO 0.01 0.31 -0.52 0.25 -1.06 0.00 0.00 177.43 176.42 2bk4 h LEU 171 N 0.68 0.89 -0.38 1.61 5.85 -0.78 -0.85 115.31 122.33 2bk4 h LEU 171 Ca 0.38 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2bk4 h LEU 171 Cb 0.40 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2bk4 h LEU 171 CO -0.27 1.27 -0.01 0.00 -0.34 0.00 0.00 178.44 179.09 2bk4 n VAL 173 N -4.46 0.81 -4.49 0.00 0.24 -0.76 -4.97 118.33 104.71 2bk4 n VAL 173 Ca -0.01 -0.95 -0.40 0.00 -2.04 0.00 0.00 64.34 60.94 2bk4 n VAL 173 Cb 0.29 0.28 -0.08 0.00 -1.47 0.00 0.00 33.84 32.86 2bk4 n VAL 173 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bk4 n THR 174 N -0.59 -0.26 -3.90 3.34 -2.24 -0.33 -4.59 114.28 105.72 2bk4 n THR 174 Ca 0.06 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 2bk4 n THR 174 Cb 0.61 -0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 68.10 2bk4 n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk4 s ALA 175 N -3.47 -0.09 0.50 6.98 0.00 -1.25 -1.64 121.76 122.80 2bk4 s ALA 175 Ca 0.67 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 2bk4 s ALA 175 Cb -0.39 0.51 -0.08 0.00 0.00 0.00 0.00 23.12 23.15 2bk4 s ALA 175 CO 1.02 -0.51 0.99 -1.21 0.00 0.00 0.00 175.76 176.06 2bk4 s GLU 176 N -3.88 3.90 0.40 0.00 0.41 -1.26 -3.72 118.70 114.54 2bk4 s GLU 176 Ca 0.07 1.08 0.06 0.00 -0.41 0.00 0.00 54.97 55.77 2bk4 s GLU 176 Cb 0.05 -2.12 0.81 0.00 -1.78 0.00 0.00 34.13 31.09 2bk4 s GLU 176 CO -0.10 -0.32 2.04 1.79 -0.49 0.00 0.00 175.26 178.19 2bk4 h THR 177 N 1.15 1.12 0.00 3.63 1.35 -1.94 -1.38 112.91 116.84 2bk4 h THR 177 Ca -0.48 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2bk4 h THR 177 Cb 1.19 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2bk4 h THR 177 CO 0.60 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 2bk4 n HIS 178 N -4.45 0.35 0.09 4.73 1.44 -1.26 -1.73 115.22 114.39 2bk4 n HIS 178 Ca 0.03 0.11 -0.00 0.00 -2.01 0.00 0.00 57.72 55.85 2bk4 n HIS 178 Cb 0.07 -0.68 -0.03 0.00 0.12 0.00 0.00 29.99 29.47 2bk4 n HIS 178 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2bk4 h GLU 179 N 0.00 0.00 -6.45 -1.40 5.08 -1.62 -3.47 114.58 106.71 2bk4 h GLU 179 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2bk4 h GLU 179 Cb 0.53 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.59 2bk4 h GLU 179 CO 0.00 0.52 -0.75 0.14 -1.00 0.00 0.00 179.01 177.92 2bk4 s VAL 180 N -2.90 3.26 0.30 3.13 -7.23 -1.22 -4.18 120.40 111.57 2bk4 s VAL 180 Ca 0.01 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.86 2bk4 s VAL 180 Cb 0.08 -2.43 -0.11 0.00 0.56 0.00 0.00 36.38 34.49 2bk4 s VAL 180 CO 0.78 0.32 1.47 -0.55 -0.31 0.00 0.00 175.10 176.80 2bk4 s SER 181 N -1.58 6.53 0.13 4.85 0.15 -0.00 -1.70 113.70 122.07 2bk4 s SER 181 Ca 0.17 2.83 -0.18 0.00 0.70 0.00 0.00 55.95 59.47 2bk4 s SER 181 Cb -0.11 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 2bk4 s SER 181 CO 0.08 -0.77 1.72 0.00 1.20 0.00 0.00 173.24 175.48 2bk4 h ALA 182 N 4.25 0.41 -0.11 5.45 0.00 -1.12 -1.46 119.26 126.69 2bk4 h ALA 182 Ca -0.48 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.39 2bk4 h ALA 182 Cb 1.22 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2bk4 h ALA 182 CO 0.73 -0.05 -0.12 1.25 0.00 0.00 0.00 179.25 181.06 2bk4 h LEU 183 N 0.40 -0.38 -0.36 0.00 5.85 -1.65 -0.78 115.31 118.38 2bk4 h LEU 183 Ca 0.11 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2bk4 h LEU 183 Cb 0.08 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2bk4 h LEU 183 CO -0.02 -0.16 0.24 -0.25 -0.34 0.00 0.00 178.44 177.91 2bk4 h TRP 184 N -0.15 0.46 -0.56 1.25 7.01 -1.86 -0.37 115.95 121.73 2bk4 h TRP 184 Ca 0.08 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.07 2bk4 h TRP 184 Cb 0.27 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 2bk4 h TRP 184 CO -0.23 0.29 0.24 0.35 -2.79 0.00 0.00 178.44 176.30 2bk4 h PHE 185 N 0.49 0.83 -0.78 2.65 3.57 -1.02 0.61 116.94 123.29 2bk4 h PHE 185 Ca 0.13 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2bk4 h PHE 185 Cb -0.05 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 2bk4 h PHE 185 CO -0.05 0.66 0.28 -0.07 -2.23 0.00 0.00 178.31 176.91 2bk4 h LEU 186 N 0.76 1.10 -0.44 0.59 3.38 -1.01 -1.73 115.31 117.96 2bk4 h LEU 186 Ca 0.19 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2bk4 h LEU 186 Cb 0.17 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2bk4 h LEU 186 CO -0.02 0.99 0.26 -0.25 0.09 0.00 0.00 178.44 179.51 2bk4 h TRP 187 N 1.14 0.48 -0.28 1.13 7.01 -0.71 -1.89 115.95 122.83 2bk4 h TRP 187 Ca 0.26 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.29 2bk4 h TRP 187 Cb 0.25 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 2bk4 h TRP 187 CO 0.02 0.28 0.15 -0.92 -2.79 0.00 0.00 178.44 175.18 2bk4 h TYR 188 N 0.52 0.28 -0.19 2.65 3.20 -0.26 0.40 116.97 123.58 2bk4 h TYR 188 Ca 0.17 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2bk4 h TYR 188 Cb 0.01 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2bk4 h TYR 188 CO -0.07 0.16 0.05 0.28 -1.64 0.00 0.00 178.16 176.94 2bk4 h VAL 189 N 0.31 1.20 -0.77 1.81 2.07 -1.32 -3.08 116.25 116.47 2bk4 h VAL 189 Ca 0.12 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.08 2bk4 h VAL 189 Cb 0.02 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 2bk4 h VAL 189 CO -0.07 0.19 0.45 0.50 0.02 0.00 0.00 177.57 178.66 2bk4 h LYS 190 N 0.12 0.78 0.00 1.57 1.63 -0.94 -1.58 116.57 118.14 2bk4 h LYS 190 Ca 0.06 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2bk4 h LYS 190 Cb 0.25 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2bk4 h LYS 190 CO -0.00 0.51 0.00 0.00 -3.45 0.00 0.00 179.45 176.51 2bk4 n GLN 191 N -4.73 0.51 -0.18 1.90 -0.00 0.10 -1.31 117.38 113.67 2bk4 n GLN 191 Ca 0.11 0.02 0.11 0.00 -0.00 0.00 0.00 57.00 57.24 2bk4 n GLN 191 Cb 0.21 -1.50 0.25 0.00 -0.00 0.00 0.00 30.24 29.20 2bk4 n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bk4 n GLY 193 N 1.43 0.84 0.00 0.00 0.00 -0.43 -4.35 105.19 102.69 2bk4 n GLY 193 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2bk4 n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 194 N -2.18 0.60 0.17 -0.02 0.00 -0.65 -4.51 105.19 98.60 2bk4 n GLY 194 Ca 0.00 -2.16 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 2bk4 n GLY 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bk4 h THR 195 N 0.00 1.22 -0.15 2.61 1.35 -1.91 -1.74 112.91 114.29 2bk4 h THR 195 Ca 0.00 -0.74 -0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2bk4 h THR 195 Cb 0.00 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 2bk4 h THR 195 CO 0.00 0.25 0.08 0.74 -0.25 0.00 0.00 175.52 176.34 2bk4 h THR 196 N 0.34 1.10 -0.37 6.82 2.02 -1.97 -2.06 112.91 118.79 2bk4 h THR 196 Ca 0.10 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2bk4 h THR 196 Cb 0.30 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2bk4 h THR 196 CO 0.00 0.09 0.20 -0.09 0.37 0.00 0.00 175.52 176.09 2bk4 h ARG 197 N 0.14 0.52 -0.22 6.66 9.65 -1.76 -1.49 114.38 127.89 2bk4 h ARG 197 Ca 0.05 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 2bk4 h ARG 197 Cb 0.07 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2bk4 h ARG 197 CO -0.01 0.43 -0.34 0.97 2.80 0.00 0.00 179.97 183.82 2bk4 h ILE 198 N 0.47 1.29 0.00 1.20 2.10 -1.30 -1.57 117.51 119.70 2bk4 h ILE 198 Ca 0.13 -1.44 0.00 0.00 1.08 0.00 0.00 64.86 64.63 2bk4 h ILE 198 Cb 0.06 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 2bk4 h ILE 198 CO -0.02 0.45 -0.98 0.33 -1.08 0.00 0.00 178.15 176.85 2bk4 n PHE 199 N -4.06 0.62 -2.92 2.19 7.35 -0.78 -4.33 117.46 115.54 2bk4 n PHE 199 Ca -0.01 0.18 -0.35 0.00 -0.76 0.00 0.00 57.45 56.51 2bk4 n PHE 199 Cb 0.46 -0.72 -0.06 0.00 0.35 0.00 0.00 39.48 39.51 2bk4 n PHE 199 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2bk4 s SER 200 N -4.65 7.07 0.00 -2.13 0.01 -0.57 -4.94 113.70 108.49 2bk4 s SER 200 Ca 0.02 1.61 0.00 0.00 1.31 0.00 0.00 55.95 58.89 2bk4 s SER 200 Cb 0.12 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2bk4 s SER 200 CO 0.78 -0.15 0.00 0.41 0.41 0.00 0.00 173.24 174.69 2bk4 n THR 201 N 0.11 0.00 -1.68 1.44 -1.04 -1.26 -2.38 114.28 109.47 2bk4 n THR 201 Ca 0.03 0.20 -0.44 0.00 -2.04 0.00 0.00 64.05 61.80 2bk4 n THR 201 Cb 0.52 -0.84 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 2bk4 n THR 201 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2bk4 n THR 202 N -1.42 0.43 -1.38 12.58 -1.04 -1.26 -1.58 114.28 120.61 2bk4 n THR 202 Ca 0.00 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 2bk4 n THR 202 Cb 0.00 -2.03 -0.06 0.00 -1.82 0.00 0.00 70.33 66.42 2bk4 n THR 202 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2bk4 n ASN 203 N 5.88 -4.66 -0.53 8.00 5.15 -1.26 -4.98 115.26 122.86 2bk4 n ASN 203 Ca 0.19 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 2bk4 n ASN 203 Cb 0.35 -3.31 0.00 0.00 -0.53 0.00 0.00 39.78 36.29 2bk4 n ASN 203 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bk4 n GLY 204 N -1.27 4.45 0.30 8.20 0.00 -0.62 -4.79 105.19 111.46 2bk4 n GLY 204 Ca -0.13 -1.51 0.16 0.00 0.00 0.00 0.00 46.02 44.54 2bk4 n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bk4 h GLY 205 N 0.00 0.00 -3.20 -0.02 0.00 -0.92 -2.58 103.07 96.35 2bk4 h GLY 205 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bk4 h GLY 205 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2bk4 n GLN 206 N -3.76 4.48 -0.19 4.80 3.00 -1.00 -3.63 117.38 121.09 2bk4 n GLN 206 Ca -0.03 -3.09 -0.06 0.00 -0.01 0.00 0.00 57.00 53.81 2bk4 n GLN 206 Cb 0.09 -2.16 0.10 0.00 0.00 0.00 0.00 30.24 28.27 2bk4 n GLN 206 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2bk4 h GLU 207 N 3.68 0.98 -4.31 -1.09 4.81 -1.12 -3.43 114.58 114.11 2bk4 h GLU 207 Ca 0.00 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 58.84 2bk4 h GLU 207 Cb 1.84 -0.12 -0.15 0.00 0.63 0.00 0.00 28.75 30.95 2bk4 h GLU 207 CO 0.42 0.91 -0.67 1.03 -0.73 0.00 0.00 179.01 179.97 2bk4 s ARG 208 N -5.15 0.69 0.24 1.92 0.52 0.13 -0.91 118.95 116.39 2bk4 s ARG 208 Ca -0.11 -1.27 0.04 0.00 -0.52 0.00 0.00 55.73 53.87 2bk4 s ARG 208 Cb 0.15 0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.75 2bk4 s ARG 208 CO 0.83 -0.13 -0.01 0.15 0.02 0.00 0.00 175.30 176.16 2bk4 s LYS 209 N -3.94 1.38 -0.02 3.54 1.02 -0.61 -0.82 119.74 120.29 2bk4 s LYS 209 Ca 0.11 -1.70 -0.25 0.00 0.02 0.00 0.00 55.97 54.15 2bk4 s LYS 209 Cb 0.08 -0.71 -0.04 0.00 -0.52 0.00 0.00 37.83 36.64 2bk4 s LYS 209 CO -0.07 -0.08 0.77 -0.06 -0.92 0.00 0.00 175.35 174.99 2bk4 s PHE 210 N -3.35 3.64 0.10 3.18 0.40 -1.26 -1.24 117.98 119.44 2bk4 s PHE 210 Ca 0.29 1.40 -0.31 0.00 -0.60 0.00 0.00 56.93 57.71 2bk4 s PHE 210 Cb 0.05 -2.87 -0.10 0.00 0.51 0.00 0.00 43.02 40.61 2bk4 s PHE 210 CO 0.09 0.12 1.89 0.08 0.70 0.00 0.00 175.22 178.10 2bk4 s VAL 211 N 0.60 2.66 0.00 -0.44 1.01 0.13 -1.60 120.40 122.76 2bk4 s VAL 211 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2bk4 s VAL 211 Cb -0.19 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2bk4 s VAL 211 CO 0.21 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2bk4 n GLY 212 N 4.36 1.50 0.00 4.51 0.00 -1.26 -4.67 105.19 109.63 2bk4 n GLY 212 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2bk4 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 213 N -2.00 2.40 0.24 -0.02 0.00 -0.63 -4.79 105.19 100.40 2bk4 n GLY 213 Ca 0.00 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.38 2bk4 n GLY 213 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bk4 h SER 214 N 0.00 0.00 -0.06 1.61 4.64 -1.83 -3.15 113.55 114.76 2bk4 h SER 214 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2bk4 h SER 214 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bk4 h SER 214 CO 0.00 0.06 0.10 1.23 -0.87 0.00 0.00 176.83 177.34 2bk4 h GLY 215 N 2.74 0.00 2.00 -0.77 0.00 -1.88 -1.83 103.07 103.32 2bk4 h GLY 215 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2bk4 h GLY 215 CO 0.01 0.00 -0.04 1.46 0.00 0.00 0.00 176.54 177.96 2bk4 h GLN 216 N 0.00 0.00 0.30 4.80 4.20 -1.85 -1.72 115.11 120.84 2bk4 h GLN 216 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2bk4 h GLN 216 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2bk4 h GLN 216 CO -0.00 0.04 -0.14 0.28 -0.67 0.00 0.00 178.83 178.34 2bk4 h VAL 217 N 0.00 0.73 -0.34 -0.54 2.07 -1.58 0.23 116.25 116.82 2bk4 h VAL 217 Ca -0.00 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 2bk4 h VAL 217 Cb 0.09 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2bk4 h VAL 217 CO 0.01 0.04 -0.38 0.28 0.02 0.00 0.00 177.57 177.53 2bk4 h SER 218 N -0.49 0.85 -0.28 0.57 0.02 -1.69 -2.75 113.55 109.79 2bk4 h SER 218 Ca -0.04 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2bk4 h SER 218 Cb 0.37 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2bk4 h SER 218 CO 0.07 1.13 0.18 -0.33 -1.14 0.00 0.00 176.83 176.74 2bk4 h GLU 219 N 0.66 0.36 -0.12 3.45 5.08 -1.28 -1.18 114.58 121.56 2bk4 h GLU 219 Ca 0.06 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2bk4 h GLU 219 Cb 0.94 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2bk4 h GLU 219 CO 0.09 0.24 -0.47 0.00 -1.00 0.00 0.00 179.01 177.87 2bk4 h ARG 220 N 0.37 0.29 -0.57 2.33 3.08 -0.95 -0.92 114.38 118.01 2bk4 h ARG 220 Ca 0.10 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 2bk4 h ARG 220 Cb -0.04 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2bk4 h ARG 220 CO -0.03 0.70 -0.06 0.82 -1.07 0.00 0.00 179.97 180.33 2bk4 h ILE 221 N 0.23 1.27 -0.88 2.04 2.04 -1.35 -1.94 117.51 118.92 2bk4 h ILE 221 Ca 0.01 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.68 2bk4 h ILE 221 Cb 0.91 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 2bk4 h ILE 221 CO 0.07 0.44 0.58 -0.03 0.00 0.00 0.00 178.15 179.21 2bk4 h MET 222 N 0.94 1.12 -0.77 2.37 4.05 -0.77 -0.87 114.93 121.01 2bk4 h MET 222 Ca 0.16 -0.07 0.07 0.00 -0.28 0.00 0.00 59.70 59.58 2bk4 h MET 222 Cb 0.63 -0.25 -0.06 0.00 -0.80 0.00 0.00 31.60 31.11 2bk4 h MET 222 CO 0.04 0.74 0.44 -0.44 0.23 0.00 0.00 176.91 177.92 2bk4 h ASP 223 N 1.15 0.66 0.26 1.39 3.32 -0.91 -1.43 116.42 120.86 2bk4 h ASP 223 Ca 0.34 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 2bk4 h ASP 223 Cb -0.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2bk4 h ASP 223 CO -0.09 0.41 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.37 2bk4 h LEU 224 N 0.79 0.18 0.00 1.55 3.38 -0.55 -3.17 115.31 117.48 2bk4 h LEU 224 Ca 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2bk4 h LEU 224 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2bk4 h LEU 224 CO -0.20 0.56 -0.75 -0.07 0.09 0.00 0.00 178.44 178.07 2bk4 h LEU 225 N 0.15 0.00 0.00 1.67 3.38 -0.81 -3.50 115.31 116.21 2bk4 h LEU 225 Ca 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2bk4 h LEU 225 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2bk4 h LEU 225 CO 0.06 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2bk4 n GLY 226 N 1.32 3.47 0.00 0.83 0.00 -0.57 -2.46 105.19 107.78 2bk4 n GLY 226 Ca 0.03 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.05 2bk4 n GLY 226 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bk4 n ASP 227 N 6.41 0.00 0.23 1.61 5.75 -1.26 -3.37 116.55 125.91 2bk4 n ASP 227 Ca 0.00 -1.33 0.15 0.00 -0.01 0.00 0.00 54.79 53.60 2bk4 n ASP 227 Cb 0.00 0.00 0.57 0.00 -1.03 0.00 0.00 41.12 40.66 2bk4 n ASP 227 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2bk4 h ARG 228 N 0.00 0.00 -5.41 0.11 3.08 -1.80 -3.42 114.38 106.95 2bk4 h ARG 228 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2bk4 h ARG 228 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 2bk4 h ARG 228 CO 0.00 0.00 -0.03 0.08 -1.07 0.00 0.00 179.97 178.95 2bk4 s VAL 229 N -3.50 5.08 -0.35 2.04 1.01 -1.22 -1.01 120.40 122.46 2bk4 s VAL 229 Ca 0.03 0.89 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 2bk4 s VAL 229 Cb 0.09 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2bk4 s VAL 229 CO 0.52 0.12 0.13 -0.54 0.00 0.00 0.00 175.10 175.33 2bk4 s LYS 230 N 2.09 2.63 0.36 2.72 -0.14 0.44 -4.97 119.74 122.87 2bk4 s LYS 230 Ca 0.22 -1.20 -0.10 0.00 -1.36 0.00 0.00 55.97 53.53 2bk4 s LYS 230 Cb -0.16 -3.52 -0.06 0.00 -1.68 0.00 0.00 37.83 32.41 2bk4 s LYS 230 CO 0.09 -0.70 0.71 -0.51 -0.76 0.00 0.00 175.35 174.18 2bk4 s LEU 231 N 1.42 3.92 -1.42 3.17 1.43 -1.26 -1.28 118.68 124.66 2bk4 s LEU 231 Ca -0.01 1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 54.05 2bk4 s LEU 231 Cb -0.20 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.15 2bk4 s LEU 231 CO 0.03 -0.32 1.06 -0.62 0.23 0.00 0.00 176.35 176.72 2bk4 n GLU 232 N -1.08 -6.67 -3.48 1.70 1.02 -0.08 -4.92 120.64 107.13 2bk4 n GLU 232 Ca 0.02 0.72 -0.27 0.00 -0.02 0.00 0.00 57.16 57.61 2bk4 n GLU 232 Cb 0.54 -5.67 -0.09 0.00 -0.02 0.00 0.00 31.44 26.20 2bk4 n GLU 232 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bk4 n ARG 233 N -4.76 2.27 -2.03 3.49 3.00 0.61 -4.77 116.66 114.47 2bk4 n ARG 233 Ca -0.02 -4.53 -0.42 0.00 -0.01 0.00 0.00 57.85 52.87 2bk4 n ARG 233 Cb 0.56 -2.18 -0.03 0.00 0.00 0.00 0.00 32.46 30.81 2bk4 n ARG 233 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2bk4 s PRO 234 N -2.20 4.25 0.09 5.56 0.02 -1.26 -3.76 135.00 137.71 2bk4 s PRO 234 Ca 0.37 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 2bk4 s PRO 234 Cb 0.12 -3.32 -0.06 0.00 0.02 0.00 0.00 34.50 31.26 2bk4 s PRO 234 CO -0.05 -0.58 1.11 0.08 -0.33 0.00 0.00 177.00 177.23 2bk4 s VAL 235 N 1.58 4.16 -0.00 3.83 1.01 -1.26 -0.51 120.40 129.21 2bk4 s VAL 235 Ca 0.69 1.67 0.02 0.00 0.00 0.00 0.00 61.98 64.35 2bk4 s VAL 235 Cb -0.40 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2bk4 s VAL 235 CO 0.31 0.19 0.04 2.30 0.00 0.00 0.00 175.10 177.94 2bk4 n ILE 236 N 3.29 0.00 -3.66 2.22 -5.35 -0.24 -4.56 119.36 111.07 2bk4 n ILE 236 Ca 0.06 -0.04 -0.07 0.00 -0.27 0.00 0.00 62.75 62.42 2bk4 n ILE 236 Cb 0.47 0.46 -0.08 0.00 -1.74 0.00 0.00 39.64 38.76 2bk4 n ILE 236 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2bk4 s TYR 237 N -2.11 -0.95 -0.11 4.28 5.04 -1.15 -0.66 117.35 121.69 2bk4 s TYR 237 Ca -0.01 1.89 0.02 0.00 -2.44 0.00 0.00 57.07 56.53 2bk4 s TYR 237 Cb 0.01 0.53 0.02 0.00 0.35 0.00 0.00 41.96 42.87 2bk4 s TYR 237 CO 0.07 -0.49 -0.15 0.42 -1.34 0.00 0.00 175.55 174.06 2bk4 s ILE 238 N 1.77 1.47 -0.21 3.14 1.01 -0.78 -0.70 121.20 126.90 2bk4 s ILE 238 Ca -0.09 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2bk4 s ILE 238 Cb -0.07 -1.35 0.04 0.00 0.01 0.00 0.00 42.46 41.08 2bk4 s ILE 238 CO -0.17 0.44 -0.15 -0.62 0.00 0.00 0.00 174.94 174.43 2bk4 s ASP 239 N 1.01 3.65 -0.17 3.58 -1.08 0.24 -1.35 116.67 122.54 2bk4 s ASP 239 Ca -0.06 -0.96 0.17 0.00 -0.52 0.00 0.00 52.55 51.18 2bk4 s ASP 239 Cb -0.15 -1.47 0.50 0.00 -1.46 0.00 0.00 42.92 40.34 2bk4 s ASP 239 CO -0.02 -0.09 1.39 0.00 0.52 0.00 0.00 175.17 176.97 2bk4 n GLN 240 N 4.56 2.71 0.05 4.34 6.02 1.00 -1.14 117.38 134.92 2bk4 n GLN 240 Ca -0.18 -2.82 0.13 0.00 -0.01 0.00 0.00 57.00 54.13 2bk4 n GLN 240 Cb 0.47 -1.80 0.51 0.00 1.02 0.00 0.00 30.24 30.43 2bk4 n GLN 240 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2bk4 n THR 241 N -0.64 0.33 -4.41 5.09 -2.24 -1.26 -4.85 114.28 106.30 2bk4 n THR 241 Ca 0.21 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 2bk4 n THR 241 Cb 0.86 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 2bk4 n THR 241 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2bk4 n ARG 242 N -1.85 0.73 -0.14 -0.78 1.74 -1.26 -5.05 116.66 110.04 2bk4 n ARG 242 Ca 0.06 -3.60 -0.04 0.00 -0.77 0.00 0.00 57.85 53.50 2bk4 n ARG 242 Cb 0.37 0.74 0.05 0.00 -1.02 0.00 0.00 32.46 32.60 2bk4 n ARG 242 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2bk4 h GLU 243 N 0.00 0.30 -6.13 5.56 4.81 -1.98 -3.41 114.58 113.73 2bk4 h GLU 243 Ca -0.39 -0.02 -0.66 0.00 -0.13 0.00 0.00 59.36 58.16 2bk4 h GLU 243 Cb 1.27 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.47 2bk4 h GLU 243 CO 0.64 0.20 -0.62 -0.80 -0.73 0.00 0.00 179.01 177.70 2bk4 s ASN 244 N -5.37 5.32 0.15 1.04 0.01 -1.26 -4.98 114.94 109.85 2bk4 s ASN 244 Ca -0.13 0.02 -0.30 0.00 -0.71 0.00 0.00 52.86 51.74 2bk4 s ASN 244 Cb 0.14 -1.43 -0.07 0.00 0.41 0.00 0.00 41.25 40.30 2bk4 s ASN 244 CO 0.72 0.26 1.17 -0.69 -1.51 0.00 0.00 177.10 177.05 2bk4 s VAL 245 N -1.17 3.79 -0.20 1.60 1.01 0.86 -4.84 120.40 121.45 2bk4 s VAL 245 Ca 0.22 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.59 2bk4 s VAL 245 Cb -0.12 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2bk4 s VAL 245 CO 0.13 0.20 0.03 -0.76 0.00 0.00 0.00 175.10 174.71 2bk4 s LEU 246 N 0.09 3.51 -0.16 3.92 1.43 -0.29 -1.19 118.68 125.98 2bk4 s LEU 246 Ca 0.53 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 2bk4 s LEU 246 Cb -0.31 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.04 2bk4 s LEU 246 CO 0.34 0.10 -0.19 -0.69 0.23 0.00 0.00 176.35 176.14 2bk4 s VAL 247 N 0.80 1.93 -0.05 -1.59 1.01 0.72 -0.59 120.40 122.63 2bk4 s VAL 247 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2bk4 s VAL 247 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2bk4 s VAL 247 CO 0.02 0.52 -0.05 -0.70 0.00 0.00 0.00 175.10 174.89 2bk4 s GLU 248 N 1.23 2.74 0.32 2.72 2.12 0.12 -0.22 118.70 127.73 2bk4 s GLU 248 Ca 0.02 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 54.85 2bk4 s GLU 248 Cb -0.14 -2.60 -0.02 0.00 0.26 0.00 0.00 34.13 31.63 2bk4 s GLU 248 CO -0.10 0.66 0.35 0.95 -0.54 0.00 0.00 175.26 176.58 2bk4 s THR 249 N -0.87 4.00 0.31 -1.70 -4.23 -0.55 -1.08 115.64 111.51 2bk4 s THR 249 Ca 0.14 -1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.43 2bk4 s THR 249 Cb -0.11 -3.36 0.26 0.00 1.34 0.00 0.00 72.50 70.64 2bk4 s THR 249 CO 0.03 -0.20 1.97 0.25 -0.54 0.00 0.00 174.62 176.13 2bk4 h LEU 250 N 1.14 0.91 -0.76 4.79 5.85 -1.12 -1.06 115.31 125.06 2bk4 h LEU 250 Ca -0.46 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2bk4 h LEU 250 Cb 1.25 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2bk4 h LEU 250 CO 0.57 0.65 0.00 -0.46 -0.34 0.00 0.00 178.44 178.86 2bk4 n ASN 251 N -4.42 0.70 -1.04 1.25 2.04 -1.26 -4.88 115.26 107.64 2bk4 n ASN 251 Ca 0.09 -1.85 -0.12 0.00 -0.44 0.00 0.00 54.58 52.27 2bk4 n ASN 251 Cb 0.05 -0.35 -0.04 0.00 -2.53 0.00 0.00 39.78 36.91 2bk4 n ASN 251 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 2bk4 n HIS 252 N -0.09 -0.18 -3.18 -2.53 8.25 -0.40 -5.03 115.22 112.06 2bk4 n HIS 252 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2bk4 n HIS 252 Cb 0.18 -2.34 -0.06 0.00 1.12 0.00 0.00 29.99 28.88 2bk4 n HIS 252 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2bk4 s GLU 253 N -3.50 4.08 -0.11 -0.41 2.02 -1.25 -4.90 118.70 114.63 2bk4 s GLU 253 Ca 0.00 0.69 0.01 0.00 0.02 0.00 0.00 54.97 55.69 2bk4 s GLU 253 Cb 0.00 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2bk4 s GLU 253 CO 0.00 0.31 -0.16 -1.64 0.02 0.00 0.00 175.26 173.79 2bk4 s MET 254 N -2.44 3.13 0.00 1.61 -1.94 -1.26 -1.49 119.30 116.92 2bk4 s MET 254 Ca 0.47 -0.73 0.07 0.00 -1.71 0.00 0.00 55.69 53.79 2bk4 s MET 254 Cb -0.13 -2.51 -0.02 0.00 2.01 0.00 0.00 34.83 34.17 2bk4 s MET 254 CO 0.19 0.29 -0.23 0.71 -0.01 0.00 0.00 175.02 175.98 2bk4 s TYR 255 N 0.13 2.03 -0.09 -0.03 1.51 0.69 -4.13 117.35 117.46 2bk4 s TYR 255 Ca -0.08 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2bk4 s TYR 255 Cb -0.15 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 2bk4 s TYR 255 CO 0.05 0.01 -0.19 -2.00 -1.11 0.00 0.00 175.55 172.31 2bk4 s GLU 256 N -0.72 2.46 0.12 -0.62 2.12 0.13 -0.20 118.70 121.99 2bk4 s GLU 256 Ca 0.09 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.67 2bk4 s GLU 256 Cb -0.09 -1.93 -0.01 0.00 0.26 0.00 0.00 34.13 32.36 2bk4 s GLU 256 CO -0.00 0.09 0.19 0.00 -0.54 0.00 0.00 175.26 175.01 2bk4 s ALA 257 N 0.54 0.04 0.12 6.30 0.00 -0.34 -0.97 121.76 127.45 2bk4 s ALA 257 Ca -0.16 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 2bk4 s ALA 257 Cb -0.17 0.65 -0.13 0.00 0.00 0.00 0.00 23.12 23.47 2bk4 s ALA 257 CO 0.06 -0.55 1.27 0.87 0.00 0.00 0.00 175.76 177.41 2bk4 h LYS 258 N 2.71 0.40 -4.05 0.00 1.57 -1.29 0.25 116.57 116.17 2bk4 h LYS 258 Ca -0.33 -0.47 -0.11 0.00 -1.87 0.00 0.00 60.65 57.87 2bk4 h LYS 258 Cb 1.21 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 33.51 2bk4 h LYS 258 CO 0.54 1.14 -0.52 0.71 -0.57 0.00 0.00 179.45 180.75 2bk4 s TYR 259 N -3.16 0.38 -0.01 -1.35 1.51 -0.98 -4.66 117.35 109.08 2bk4 s TYR 259 Ca -0.06 -0.85 0.05 0.00 -1.01 0.00 0.00 57.07 55.20 2bk4 s TYR 259 Cb 0.08 -0.23 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 2bk4 s TYR 259 CO 0.87 -0.48 -0.16 0.08 -1.11 0.00 0.00 175.55 174.75 2bk4 s VAL 260 N -3.91 1.27 -0.21 0.71 1.01 -0.27 -2.08 120.40 116.93 2bk4 s VAL 260 Ca 0.08 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2bk4 s VAL 260 Cb 0.06 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2bk4 s VAL 260 CO -0.09 0.33 -0.01 -0.63 0.00 0.00 0.00 175.10 174.70 2bk4 s ILE 261 N -0.41 3.77 -0.50 2.22 1.01 -0.05 -0.66 121.20 126.57 2bk4 s ILE 261 Ca 0.06 -0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 2bk4 s ILE 261 Cb -0.06 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.74 2bk4 s ILE 261 CO -0.00 0.42 0.74 -0.55 0.00 0.00 0.00 174.94 175.55 2bk4 s SER 262 N 1.18 6.30 -0.43 3.58 0.15 -0.03 -0.16 113.70 124.28 2bk4 s SER 262 Ca 0.03 -0.54 0.04 0.00 0.70 0.00 0.00 55.95 56.17 2bk4 s SER 262 Cb -0.14 -2.35 0.46 0.00 -1.71 0.00 0.00 66.02 62.27 2bk4 s SER 262 CO 0.01 -0.97 1.52 0.00 1.20 0.00 0.00 173.24 174.99 2bk4 n ALA 263 N 6.64 5.52 -2.52 5.45 0.00 0.34 -1.25 120.51 134.69 2bk4 n ALA 263 Ca -0.02 -3.67 -0.25 0.00 0.00 0.00 0.00 53.44 49.50 2bk4 n ALA 263 Cb 0.47 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 2bk4 n ALA 263 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2bk4 s ILE 264 N -4.68 2.81 0.24 0.00 -4.36 -1.25 -4.56 121.20 109.39 2bk4 s ILE 264 Ca 0.56 -2.11 -0.30 0.00 -0.26 0.00 0.00 60.65 58.55 2bk4 s ILE 264 Cb 0.45 -2.45 -0.15 0.00 1.25 0.00 0.00 42.46 41.56 2bk4 s ILE 264 CO 0.02 -0.30 1.00 -2.65 0.24 0.00 0.00 174.94 173.25 2bk4 n PRO 265 N -0.43 1.11 -0.26 0.37 -0.02 -1.26 -4.81 135.00 129.69 2bk4 n PRO 265 Ca -0.08 0.39 0.06 0.00 -2.02 0.00 0.00 63.50 61.86 2bk4 n PRO 265 Cb 0.58 -1.76 0.18 0.00 -0.02 0.00 0.00 33.50 32.48 2bk4 n PRO 265 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2bk4 h PRO 266 N 2.36 0.12 0.00 0.52 0.11 -1.94 -0.97 132.00 132.20 2bk4 h PRO 266 Ca -0.39 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 2bk4 h PRO 266 Cb 1.35 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 2bk4 h PRO 266 CO 0.63 0.08 -0.25 0.00 -0.21 0.00 0.00 178.00 178.26 2bk4 h THR 267 N 0.12 1.08 0.00 -1.15 1.03 -1.76 -2.13 112.91 110.10 2bk4 h THR 267 Ca 0.43 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2bk4 h THR 267 Cb 0.78 1.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 2bk4 h THR 267 CO -0.66 0.24 0.00 0.18 -0.01 0.00 0.00 175.52 175.27 2bk4 n LEU 268 N -4.10 0.17 0.24 0.00 4.77 -0.37 -1.16 117.00 116.55 2bk4 n LEU 268 Ca -0.02 0.55 0.18 0.00 -0.03 0.00 0.00 56.01 56.69 2bk4 n LEU 268 Cb 0.31 -0.54 0.87 0.00 -2.33 0.00 0.00 43.42 41.73 2bk4 n LEU 268 CO 0.36 -0.40 1.15 1.23 -1.33 0.00 0.00 177.39 178.41 2bk4 h GLY 269 N 1.88 0.00 2.00 -0.72 0.00 -1.41 -2.12 103.07 102.70 2bk4 h GLY 269 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2bk4 h GLY 269 CO 0.00 0.00 -0.09 -0.33 0.00 0.00 0.00 176.54 176.12 2bk4 h MET 270 N 0.00 0.00 0.00 4.80 2.86 -1.35 -2.49 114.93 118.75 2bk4 h MET 270 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2bk4 h MET 270 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2bk4 h MET 270 CO -0.00 0.09 0.00 1.63 1.06 0.00 0.00 176.91 179.69 2bk4 n LYS 271 N -3.88 0.33 -4.55 1.72 5.02 -0.80 -4.69 118.16 111.31 2bk4 n LYS 271 Ca -0.02 0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 2bk4 n LYS 271 Cb 0.18 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 2bk4 n LYS 271 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bk4 s ILE 272 N -2.50 3.65 -0.15 -0.18 1.01 -0.94 -4.60 121.20 117.49 2bk4 s ILE 272 Ca 0.20 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2bk4 s ILE 272 Cb 0.14 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2bk4 s ILE 272 CO 0.30 0.53 0.47 -1.00 0.00 0.00 0.00 174.94 175.24 2bk4 s HIS 273 N -0.00 3.46 -0.09 3.97 3.76 0.17 -4.94 115.29 121.62 2bk4 s HIS 273 Ca -0.01 0.82 -0.01 0.00 -0.15 0.00 0.00 55.06 55.71 2bk4 s HIS 273 Cb -0.14 -2.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.95 2bk4 s HIS 273 CO 0.03 0.08 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.93 2bk4 s PHE 274 N 0.96 3.11 -0.12 1.40 0.40 -1.26 -1.87 117.98 120.61 2bk4 s PHE 274 Ca 0.24 0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.70 2bk4 s PHE 274 Cb -0.15 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.64 2bk4 s PHE 274 CO 0.10 0.42 0.01 1.21 0.70 0.00 0.00 175.22 177.66 2bk4 s ASN 275 N -0.81 2.10 1.01 1.36 2.47 -0.46 -3.59 114.94 117.03 2bk4 s ASN 275 Ca 0.12 -0.37 -0.12 0.00 0.42 0.00 0.00 52.86 52.91 2bk4 s ASN 275 Cb -0.11 -0.52 0.20 0.00 -1.45 0.00 0.00 41.25 39.36 2bk4 s ASN 275 CO 0.02 -0.23 1.08 -2.16 -3.72 0.00 0.00 177.10 172.10 2bk4 s PRO 276 N 1.92 0.32 0.80 0.43 0.04 -1.26 -0.00 135.00 137.25 2bk4 s PRO 276 Ca 0.03 0.59 -0.14 0.00 0.04 0.00 0.00 61.00 61.52 2bk4 s PRO 276 Cb -0.14 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2bk4 s PRO 276 CO -0.06 -2.82 0.88 -2.30 0.04 0.00 0.00 177.00 172.73 2bk4 n PRO 277 N -4.25 0.17 -1.47 0.56 -0.02 -1.24 -4.95 135.00 123.81 2bk4 n PRO 277 Ca 0.05 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 2bk4 n PRO 277 Cb 0.57 -2.17 0.09 0.00 -0.02 0.00 0.00 33.50 31.97 2bk4 n PRO 277 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bk4 s LEU 278 N -3.29 3.34 0.72 2.45 1.43 -1.26 -4.97 118.68 117.09 2bk4 s LEU 278 Ca 0.69 2.37 -0.16 0.00 -1.03 0.00 0.00 54.13 56.00 2bk4 s LEU 278 Cb -0.30 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 41.34 2bk4 s LEU 278 CO 0.55 -2.23 1.07 -2.65 0.23 0.00 0.00 176.35 173.32 2bk4 n PRO 279 N -2.64 0.59 -0.23 1.29 -0.02 -1.26 -4.66 135.00 128.08 2bk4 n PRO 279 Ca 0.14 0.26 0.02 0.00 -2.02 0.00 0.00 63.50 61.90 2bk4 n PRO 279 Cb 0.50 -2.32 0.11 0.00 -0.02 0.00 0.00 33.50 31.77 2bk4 n PRO 279 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2bk4 h MET 280 N -0.17 0.07 -0.50 -0.52 1.85 -1.99 -0.94 114.93 112.72 2bk4 h MET 280 Ca -0.48 -0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 58.56 2bk4 h MET 280 Cb 1.33 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.32 2bk4 h MET 280 CO 0.48 0.04 0.13 0.52 -0.40 0.00 0.00 176.91 177.69 2bk4 h MET 281 N 0.07 0.80 -0.34 0.39 2.86 -2.00 -1.96 114.93 114.75 2bk4 h MET 281 Ca 0.35 -0.19 -0.15 0.00 -2.06 0.00 0.00 59.70 57.65 2bk4 h MET 281 Cb 0.57 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2bk4 h MET 281 CO -0.62 0.76 -0.40 -0.09 1.06 0.00 0.00 176.91 177.62 2bk4 h ARG 282 N 0.69 0.83 -0.56 1.72 2.43 -1.85 -0.42 114.38 117.22 2bk4 h ARG 282 Ca 0.16 -0.44 0.11 0.00 -0.81 0.00 0.00 59.98 59.00 2bk4 h ARG 282 Cb 0.32 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.78 2bk4 h ARG 282 CO -0.00 1.08 -0.13 -0.97 -1.51 0.00 0.00 179.97 178.44 2bk4 h ASN 283 N 0.68 -0.49 0.57 -3.80 -1.24 -0.82 -2.45 115.58 108.01 2bk4 h ASN 283 Ca 0.05 0.16 -0.27 0.00 0.71 0.00 0.00 56.30 56.96 2bk4 h ASN 283 Cb 0.98 0.34 0.01 0.00 0.73 0.00 0.00 38.32 40.37 2bk4 h ASN 283 CO 0.09 -0.18 -1.20 1.56 -1.29 0.00 0.00 177.43 176.42 2bk4 h GLN 284 N 0.01 0.31 -0.67 6.67 4.20 -1.34 -3.35 115.11 120.94 2bk4 h GLN 284 Ca 0.27 -0.48 0.10 0.00 0.06 0.00 0.00 58.65 58.60 2bk4 h GLN 284 Cb 0.41 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 2bk4 h GLN 284 CO -0.57 1.21 0.29 1.98 -0.67 0.00 0.00 178.83 181.07 2bk4 h MET 285 N 0.10 0.47 0.00 1.46 4.05 -0.69 -1.89 114.93 118.44 2bk4 h MET 285 Ca -0.13 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2bk4 h MET 285 Cb 1.91 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.60 2bk4 h MET 285 CO 0.20 0.31 0.00 0.44 0.23 0.00 0.00 176.91 178.09 2bk4 n ILE 286 N -4.95 0.27 0.86 1.77 -5.35 -0.96 -0.95 119.36 110.05 2bk4 n ILE 286 Ca 0.10 0.07 0.10 0.00 -0.27 0.00 0.00 62.75 62.75 2bk4 n ILE 286 Cb 0.29 -0.80 0.05 0.00 -1.74 0.00 0.00 39.64 37.44 2bk4 n ILE 286 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2bk4 n THR 287 N -1.14 0.00 -0.07 7.28 -2.24 -0.71 -4.36 114.28 113.04 2bk4 n THR 287 Ca 0.10 -0.41 0.03 0.00 -2.27 0.00 0.00 64.05 61.51 2bk4 n THR 287 Cb 0.09 1.34 0.09 0.00 -2.10 0.00 0.00 70.33 69.75 2bk4 n THR 287 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2bk4 n ARG 288 N 0.61 2.65 -3.49 -0.78 1.74 -0.12 -4.88 116.66 112.38 2bk4 n ARG 288 Ca 0.10 -1.75 -0.27 0.00 -0.77 0.00 0.00 57.85 55.16 2bk4 n ARG 288 Cb 0.47 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 2bk4 n ARG 288 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2bk4 n VAL 289 N 0.15 -0.10 -1.60 1.55 0.24 -1.24 -4.52 118.33 112.80 2bk4 n VAL 289 Ca 0.07 -4.04 -0.30 0.00 -2.04 0.00 0.00 64.34 58.03 2bk4 n VAL 289 Cb 0.34 -1.88 0.09 0.00 -1.47 0.00 0.00 33.84 30.92 2bk4 n VAL 289 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2bk4 s PRO 290 N -0.75 2.14 0.17 7.34 0.04 -1.25 -4.35 135.00 138.34 2bk4 s PRO 290 Ca 0.32 0.59 0.04 0.00 0.04 0.00 0.00 61.00 61.99 2bk4 s PRO 290 Cb 0.05 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2bk4 s PRO 290 CO -0.16 -1.57 0.24 -0.51 0.04 0.00 0.00 177.00 175.03 2bk4 s LEU 291 N -5.73 4.12 0.00 -3.56 1.02 -1.26 -0.70 118.68 112.57 2bk4 s LEU 291 Ca 0.61 0.03 -0.19 0.00 0.02 0.00 0.00 54.13 54.60 2bk4 s LEU 291 Cb -0.14 -2.70 0.28 0.00 0.02 0.00 0.00 46.19 43.65 2bk4 s LEU 291 CO 0.54 0.04 0.93 0.61 0.02 0.00 0.00 176.35 178.48 2bk4 n GLY 292 N -0.63 -2.95 3.01 -3.19 0.00 -0.84 -4.77 105.19 95.82 2bk4 n GLY 292 Ca -0.08 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 2bk4 n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk4 s SER 293 N -3.90 2.28 -0.12 1.61 0.01 -0.65 -2.30 113.70 110.61 2bk4 s SER 293 Ca 0.62 -0.38 -0.21 0.00 1.31 0.00 0.00 55.95 57.29 2bk4 s SER 293 Cb -0.07 -0.99 0.05 0.00 0.21 0.00 0.00 66.02 65.22 2bk4 s SER 293 CO 0.48 -0.02 0.53 0.54 0.41 0.00 0.00 173.24 175.17 2bk4 s VAL 294 N 1.17 0.01 -0.16 3.43 0.11 -1.26 -0.38 120.40 123.32 2bk4 s VAL 294 Ca -0.04 -0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2bk4 s VAL 294 Cb -0.14 -0.79 -0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2bk4 s VAL 294 CO -0.03 -0.06 -0.14 -0.63 -3.33 0.00 0.00 175.10 170.90 2bk4 s ILE 295 N -0.45 2.73 -0.24 7.04 1.01 -0.72 -2.08 121.20 128.49 2bk4 s ILE 295 Ca -0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 2bk4 s ILE 295 Cb -0.03 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2bk4 s ILE 295 CO 0.04 0.51 0.29 -0.75 0.00 0.00 0.00 174.94 175.03 2bk4 s LYS 296 N 0.86 4.08 -0.06 2.79 2.20 -0.54 -0.88 119.74 128.19 2bk4 s LYS 296 Ca -0.04 -0.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.55 2bk4 s LYS 296 Cb -0.15 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2bk4 s LYS 296 CO -0.01 -0.07 -0.16 0.00 -0.36 0.00 0.00 175.35 174.75 2bk4 s ILE 298 N 0.29 1.39 -0.21 0.00 1.09 0.91 -0.71 121.20 123.96 2bk4 s ILE 298 Ca -0.09 -0.79 -0.09 0.00 -1.10 0.00 0.00 60.65 58.58 2bk4 s ILE 298 Cb -0.14 -1.49 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 2bk4 s ILE 298 CO 0.04 0.19 0.11 -0.69 -0.10 0.00 0.00 174.94 174.48 2bk4 s VAL 299 N 1.51 5.04 -0.03 2.92 1.01 -0.56 -1.21 120.40 129.08 2bk4 s VAL 299 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2bk4 s VAL 299 Cb -0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2bk4 s VAL 299 CO -0.08 0.41 0.12 -0.31 0.00 0.00 0.00 175.10 175.24 2bk4 s TYR 300 N 0.73 3.43 0.14 5.22 1.51 -0.22 -0.84 117.35 127.32 2bk4 s TYR 300 Ca 0.06 0.31 0.02 0.00 -1.01 0.00 0.00 57.07 56.45 2bk4 s TYR 300 Cb -0.13 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2bk4 s TYR 300 CO 0.02 0.61 -0.03 0.71 -1.11 0.00 0.00 175.55 175.75 2bk4 s TYR 301 N -1.19 1.09 0.21 2.71 1.51 -0.18 -0.49 117.35 121.01 2bk4 s TYR 301 Ca 0.23 -0.98 -0.09 0.00 -1.01 0.00 0.00 57.07 55.22 2bk4 s TYR 301 Cb -0.12 -0.62 0.16 0.00 -0.11 0.00 0.00 41.96 41.27 2bk4 s TYR 301 CO 0.13 -0.18 1.82 -0.22 -1.11 0.00 0.00 175.55 175.98 2bk4 h LYS 302 N 2.80 1.12 -4.08 -0.62 3.64 -1.85 -3.31 116.57 114.27 2bk4 h LYS 302 Ca -0.36 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 58.74 2bk4 h LYS 302 Cb 1.19 -0.21 -0.17 0.00 -0.41 0.00 0.00 32.23 32.63 2bk4 h LYS 302 CO 0.63 0.85 -0.63 -1.21 -2.27 0.00 0.00 179.45 176.82 2bk4 s GLU 303 N -5.76 0.56 -1.24 1.90 2.02 -1.26 -4.69 118.70 110.22 2bk4 s GLU 303 Ca -0.13 -0.99 -0.15 0.00 0.02 0.00 0.00 54.97 53.72 2bk4 s GLU 303 Cb 0.15 0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.55 2bk4 s GLU 303 CO 0.82 -0.12 2.22 -0.35 0.02 0.00 0.00 175.26 177.85 2bk4 n PRO 304 N 0.53 2.51 0.23 0.39 -0.04 -1.26 -4.75 135.00 132.61 2bk4 n PRO 304 Ca -0.17 -2.25 0.12 0.00 -0.04 0.00 0.00 63.50 61.16 2bk4 n PRO 304 Cb 0.59 -3.06 0.73 0.00 -0.04 0.00 0.00 33.50 31.73 2bk4 n PRO 304 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2bk4 h PHE 305 N 6.44 0.00 -0.53 0.54 -0.00 -1.98 -1.91 116.94 119.50 2bk4 h PHE 305 Ca 0.56 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 58.56 2bk4 h PHE 305 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.49 2bk4 h PHE 305 CO 1.49 0.00 0.35 0.11 -0.00 0.00 0.00 178.31 180.26 2bk4 h TRP 306 N 0.00 0.58 -0.19 6.09 0.09 -1.85 -2.19 115.95 118.47 2bk4 h TRP 306 Ca 0.04 0.01 0.02 0.00 0.09 0.00 0.00 58.89 59.06 2bk4 h TRP 306 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 29.16 29.23 2bk4 h TRP 306 CO 0.00 0.34 0.13 0.00 0.09 0.00 0.00 178.44 179.00 2bk4 h ARG 307 N 0.60 0.17 0.00 0.12 3.08 -1.14 -1.55 114.38 115.66 2bk4 h ARG 307 Ca 0.21 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 2bk4 h ARG 307 Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2bk4 h ARG 307 CO -0.06 0.11 -0.24 0.87 -1.07 0.00 0.00 179.97 179.59 2bk4 h LYS 308 N 0.17 0.00 -0.53 0.04 1.57 -1.57 -1.86 116.57 114.40 2bk4 h LYS 308 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2bk4 h LYS 308 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2bk4 h LYS 308 CO -0.01 0.24 0.00 1.63 -0.57 0.00 0.00 179.45 180.73 2bk4 n LYS 309 N -3.80 2.37 -3.30 3.15 5.02 -0.65 -4.92 118.16 116.03 2bk4 n LYS 309 Ca -0.02 -1.81 -0.20 0.00 -2.02 0.00 0.00 58.31 54.26 2bk4 n LYS 309 Cb 0.33 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 2bk4 n LYS 309 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bk4 n ASP 310 N 0.85 -5.75 -4.43 4.39 2.03 -0.70 -5.00 116.55 107.94 2bk4 n ASP 310 Ca 0.17 -0.40 -0.33 0.00 0.52 0.00 0.00 54.79 54.74 2bk4 n ASP 310 Cb 0.49 -4.43 -0.14 0.00 -0.72 0.00 0.00 41.12 36.32 2bk4 n ASP 310 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2bk4 s TYR 311 N -3.23 2.74 -0.38 -0.67 4.12 -0.78 -1.43 117.35 117.72 2bk4 s TYR 311 Ca 0.44 -0.35 0.22 0.00 0.02 0.00 0.00 57.07 57.39 2bk4 s TYR 311 Cb -0.19 -1.71 0.27 0.00 -1.52 0.00 0.00 41.96 38.80 2bk4 s TYR 311 CO 0.54 0.03 1.53 0.00 0.02 0.00 0.00 175.55 177.67 2bk4 n GLY 313 N 1.13 1.01 3.69 0.00 0.00 -1.26 -4.37 105.19 105.39 2bk4 n GLY 313 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2bk4 n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bk4 s THR 314 N -2.00 4.37 -0.07 2.61 2.01 -1.26 -3.87 115.64 117.43 2bk4 s THR 314 Ca 0.00 1.69 0.02 0.00 0.31 0.00 0.00 61.69 63.70 2bk4 s THR 314 Cb 0.00 -4.08 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2bk4 s THR 314 CO 0.00 0.03 -0.09 -0.04 -0.69 0.00 0.00 174.62 173.82 2bk4 s MET 315 N 1.95 1.44 -0.30 4.92 1.00 -1.12 -1.73 119.30 125.46 2bk4 s MET 315 Ca 0.54 -0.31 -0.05 0.00 0.00 0.00 0.00 55.69 55.88 2bk4 s MET 315 Cb -0.24 -1.27 0.02 0.00 0.00 0.00 0.00 34.83 33.34 2bk4 s MET 315 CO 0.22 -0.04 0.05 0.42 0.00 0.00 0.00 175.02 175.68 2bk4 s ILE 316 N 0.87 3.64 -0.29 2.53 1.01 0.69 -1.49 121.20 128.16 2bk4 s ILE 316 Ca -0.11 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.65 2bk4 s ILE 316 Cb -0.15 -2.94 0.08 0.00 0.01 0.00 0.00 42.46 39.46 2bk4 s ILE 316 CO 0.01 0.02 -0.04 -0.63 0.00 0.00 0.00 174.94 174.30 2bk4 s ILE 317 N 1.42 2.19 0.54 2.92 1.01 0.29 -0.66 121.20 128.91 2bk4 s ILE 317 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 60.65 58.55 2bk4 s ILE 317 Cb -0.18 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.79 2bk4 s ILE 317 CO 0.01 -0.28 1.03 -1.81 0.00 0.00 0.00 174.94 173.89 2bk4 s ASP 318 N 1.03 6.17 0.00 3.58 1.01 -0.76 -4.46 116.67 123.23 2bk4 s ASP 318 Ca -0.00 1.79 0.00 0.00 0.71 0.00 0.00 52.55 55.05 2bk4 s ASP 318 Cb -0.20 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.20 2bk4 s ASP 318 CO -0.07 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.02 2bk4 n GLY 319 N -0.89 2.72 0.24 0.21 0.00 -1.26 -4.73 105.19 101.48 2bk4 n GLY 319 Ca 0.08 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 2bk4 n GLY 319 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bk4 h GLU 320 N 0.00 0.52 -0.20 1.61 4.57 -2.03 -3.25 114.58 115.81 2bk4 h GLU 320 Ca 0.00 -0.20 -0.11 0.00 -1.18 0.00 0.00 59.36 57.86 2bk4 h GLU 320 Cb 0.00 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2bk4 h GLU 320 CO 0.00 0.73 -0.37 0.93 -1.18 0.00 0.00 179.01 179.13 2bk4 h GLU 321 N 0.46 0.44 -6.29 1.92 3.07 -2.00 -3.43 114.58 108.74 2bk4 h GLU 321 Ca 0.07 -0.20 -0.55 0.00 -0.50 0.00 0.00 59.36 58.18 2bk4 h GLU 321 Cb 0.69 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2bk4 h GLU 321 CO 0.05 0.74 1.05 0.00 -1.40 0.00 0.00 179.01 179.46 2bk4 s ALA 322 N -4.28 3.62 0.30 3.43 0.00 -1.23 -4.90 121.76 118.71 2bk4 s ALA 322 Ca -0.06 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 2bk4 s ALA 322 Cb 0.13 -3.73 0.46 0.00 0.00 0.00 0.00 23.12 19.99 2bk4 s ALA 322 CO 0.80 -1.32 1.89 -1.00 0.00 0.00 0.00 175.76 176.13 2bk4 h PRO 323 N 9.22 0.86 -5.26 0.00 0.13 -1.90 -3.42 132.00 131.63 2bk4 h PRO 323 Ca -0.39 -0.13 -0.66 0.00 -0.87 0.00 0.00 66.00 63.95 2bk4 h PRO 323 Cb 1.18 -0.15 -0.29 0.00 0.13 0.00 0.00 31.00 31.86 2bk4 h PRO 323 CO 0.95 0.69 -0.79 0.08 -0.23 0.00 0.00 178.00 178.70 2bk4 s VAL 324 N -5.42 2.77 -0.64 1.56 1.01 -1.26 -4.35 120.40 114.06 2bk4 s VAL 324 Ca -0.10 -0.75 0.23 0.00 0.00 0.00 0.00 61.98 61.36 2bk4 s VAL 324 Cb 0.16 -2.16 -0.15 0.00 0.00 0.00 0.00 36.38 34.24 2bk4 s VAL 324 CO 0.79 0.52 0.97 0.00 0.00 0.00 0.00 175.10 177.38 2bk4 n ALA 325 N 3.79 3.60 -3.59 5.51 0.00 -1.23 -4.72 120.51 123.87 2bk4 n ALA 325 Ca -0.19 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.70 2bk4 n ALA 325 Cb 0.52 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 2bk4 n ALA 325 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2bk4 s TYR 326 N -3.18 -0.66 0.13 0.00 5.04 -1.26 -0.55 117.35 116.88 2bk4 s TYR 326 Ca 0.04 1.42 0.05 0.00 -2.44 0.00 0.00 57.07 56.14 2bk4 s TYR 326 Cb 0.15 0.30 -0.04 0.00 0.35 0.00 0.00 41.96 42.72 2bk4 s TYR 326 CO 0.82 -0.35 -0.11 0.95 -1.34 0.00 0.00 175.55 175.52 2bk4 s THR 327 N 1.11 1.19 0.04 4.34 -4.23 -0.56 -2.62 115.64 114.91 2bk4 s THR 327 Ca -0.07 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2bk4 s THR 327 Cb -0.06 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 2bk4 s THR 327 CO -0.10 -0.61 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.55 2bk4 s LEU 328 N -2.81 2.28 0.09 4.79 1.43 -0.27 -2.78 118.68 121.40 2bk4 s LEU 328 Ca 0.12 -0.58 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 2bk4 s LEU 328 Cb -0.01 -0.07 -0.10 0.00 0.03 0.00 0.00 46.19 46.04 2bk4 s LEU 328 CO 0.01 -0.26 1.87 -0.62 0.23 0.00 0.00 176.35 177.58 2bk4 s ASP 329 N -1.68 6.45 -0.06 2.29 -1.08 -1.25 -0.90 116.67 120.43 2bk4 s ASP 329 Ca -0.10 2.70 0.13 0.00 -0.52 0.00 0.00 52.55 54.76 2bk4 s ASP 329 Cb -0.08 -2.55 0.40 0.00 -1.46 0.00 0.00 42.92 39.22 2bk4 s ASP 329 CO -0.01 -1.02 1.32 -0.67 0.52 0.00 0.00 175.17 175.32 2bk4 n ASP 330 N 6.37 3.31 -4.66 -0.34 2.03 0.03 -4.52 116.55 118.77 2bk4 n ASP 330 Ca 0.18 -2.33 -0.39 0.00 0.52 0.00 0.00 54.79 52.77 2bk4 n ASP 330 Cb 0.39 -0.34 0.04 0.00 -0.72 0.00 0.00 41.12 40.49 2bk4 n ASP 330 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2bk4 n THR 331 N 0.23 3.36 -1.58 5.18 -1.04 -1.22 -4.62 114.28 114.60 2bk4 n THR 331 Ca 0.15 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.34 2bk4 n THR 331 Cb 0.59 -1.35 0.07 0.00 -1.82 0.00 0.00 70.33 67.82 2bk4 n THR 331 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2bk4 s LYS 332 N -2.58 2.54 0.58 -2.82 -0.14 -0.78 -4.90 119.74 111.64 2bk4 s LYS 332 Ca 0.70 1.40 0.29 0.00 -1.36 0.00 0.00 55.97 57.00 2bk4 s LYS 332 Cb -0.45 -1.92 1.77 0.00 -1.68 0.00 0.00 37.83 35.55 2bk4 s LYS 332 CO 0.51 -1.45 2.24 -1.00 -0.76 0.00 0.00 175.35 174.89 2bk4 h PRO 333 N -0.32 0.00 0.00 -1.68 0.13 -1.93 0.54 132.00 128.74 2bk4 h PRO 333 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bk4 h PRO 333 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bk4 h PRO 333 CO 0.52 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.69 2bk4 n GLU 334 N -3.88 0.21 -0.06 0.86 4.71 -1.26 -4.88 120.64 116.34 2bk4 n GLU 334 Ca -0.03 0.37 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 2bk4 n GLU 334 Cb 0.09 -1.85 0.00 0.00 -1.01 0.00 0.00 31.44 28.67 2bk4 n GLU 334 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2bk4 n GLY 335 N 0.30 0.51 3.96 0.62 0.00 0.18 -5.08 105.19 105.69 2bk4 n GLY 335 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2bk4 n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bk4 s ASN 336 N -2.96 4.88 -1.41 1.61 4.22 -1.26 -4.59 114.94 115.44 2bk4 s ASN 336 Ca 0.00 -1.03 -0.04 0.00 -2.14 0.00 0.00 52.86 49.65 2bk4 s ASN 336 Cb 0.00 0.29 0.03 0.00 1.28 0.00 0.00 41.25 42.85 2bk4 s ASN 336 CO 0.00 -1.18 0.67 -1.22 -2.04 0.00 0.00 177.10 173.32 2bk4 n TYR 337 N -1.97 -1.89 -1.58 1.54 4.02 -1.26 -1.86 117.16 114.17 2bk4 n TYR 337 Ca 0.07 0.82 -0.47 0.00 -0.01 0.00 0.00 57.90 58.30 2bk4 n TYR 337 Cb 0.63 -4.01 -0.03 0.00 -0.02 0.00 0.00 39.34 35.91 2bk4 n TYR 337 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bk4 n ALA 338 N -4.40 -0.61 -3.50 -0.72 0.00 -1.25 -4.18 120.51 105.86 2bk4 n ALA 338 Ca -0.22 0.43 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 2bk4 n ALA 338 Cb 0.64 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.04 2bk4 n ALA 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bk4 s ALA 339 N -0.54 -1.75 -0.14 0.00 0.00 -1.26 -1.01 121.76 117.05 2bk4 s ALA 339 Ca 0.67 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.71 2bk4 s ALA 339 Cb -0.79 0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2bk4 s ALA 339 CO 0.55 -0.53 -0.18 0.42 0.00 0.00 0.00 175.76 176.02 2bk4 s ILE 340 N -2.22 2.42 -0.17 0.00 -1.09 -0.02 -0.79 121.20 119.34 2bk4 s ILE 340 Ca -0.04 -0.86 -0.13 0.00 -2.23 0.00 0.00 60.65 57.39 2bk4 s ILE 340 Cb -0.01 -2.00 -0.05 0.00 -1.58 0.00 0.00 42.46 38.83 2bk4 s ILE 340 CO -0.01 0.53 0.27 -0.32 -1.23 0.00 0.00 174.94 174.18 2bk4 s MET 341 N 0.76 4.25 0.08 2.79 -2.45 -0.08 -1.50 119.30 123.15 2bk4 s MET 341 Ca -0.07 0.04 0.04 0.00 -1.25 0.00 0.00 55.69 54.45 2bk4 s MET 341 Cb -0.16 -3.43 -0.03 0.00 1.25 0.00 0.00 34.83 32.46 2bk4 s MET 341 CO 0.00 0.24 -0.11 0.20 1.05 0.00 0.00 175.02 176.40 2bk4 s GLY 342 N 0.48 0.81 -0.16 2.11 0.00 0.11 -1.11 107.32 109.55 2bk4 s GLY 342 Ca 0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 2bk4 s GLY 342 CO 0.03 -1.13 -0.02 -1.36 0.00 0.00 0.00 173.10 170.62 2bk4 s PHE 343 N -1.92 3.06 -0.33 1.90 2.99 -1.08 -1.24 117.98 121.38 2bk4 s PHE 343 Ca 0.01 -0.25 -0.16 0.00 0.00 0.00 0.00 56.93 56.54 2bk4 s PHE 343 Cb -0.06 -1.99 -0.02 0.00 0.00 0.00 0.00 43.02 40.96 2bk4 s PHE 343 CO 0.01 -0.02 0.40 0.42 -0.00 0.00 0.00 175.22 176.03 2bk4 s ILE 344 N 0.40 5.14 -0.09 0.64 1.01 -0.06 -3.53 121.20 124.71 2bk4 s ILE 344 Ca -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 2bk4 s ILE 344 Cb -0.14 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2bk4 s ILE 344 CO 0.02 -0.05 -0.03 -0.76 0.00 0.00 0.00 174.94 174.12 2bk4 s LEU 345 N 2.11 3.38 0.00 2.97 1.43 -1.26 -1.75 118.68 125.56 2bk4 s LEU 345 Ca 0.14 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2bk4 s LEU 345 Cb -0.16 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2bk4 s LEU 345 CO 0.12 0.35 0.00 0.00 0.23 0.00 0.00 176.35 177.05 2bk4 n ALA 346 N 2.32 0.00 0.14 4.21 0.00 0.48 -1.90 120.51 125.76 2bk4 n ALA 346 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.38 2bk4 n ALA 346 Cb 0.53 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.63 2bk4 n ALA 346 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2bk4 h HIS 347 N 0.00 0.04 -0.18 0.00 2.07 -1.90 -1.27 115.15 113.91 2bk4 h HIS 347 Ca 0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2bk4 h HIS 347 Cb 0.00 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 29.95 2bk4 h HIS 347 CO 0.00 0.02 -0.30 0.87 -3.07 0.00 0.00 177.93 175.45 2bk4 h LYS 348 N 0.04 0.35 -0.90 5.12 1.57 -1.74 0.83 116.57 121.85 2bk4 h LYS 348 Ca 0.11 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2bk4 h LYS 348 Cb 0.40 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 2bk4 h LYS 348 CO -0.01 0.62 0.60 0.00 -0.57 0.00 0.00 179.45 180.09 2bk4 h ALA 349 N 1.38 1.37 -0.03 3.86 0.00 -1.29 0.52 119.26 125.08 2bk4 h ALA 349 Ca 0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2bk4 h ALA 349 Cb 0.69 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bk4 h ALA 349 CO 0.05 0.58 -0.42 0.00 0.00 0.00 0.00 179.25 179.46 2bk4 h ARG 350 N 1.20 0.33 -0.08 0.00 3.08 -1.35 -2.85 114.38 114.72 2bk4 h ARG 350 Ca 0.33 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2bk4 h ARG 350 Cb -0.12 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2bk4 h ARG 350 CO -0.08 1.00 0.05 -0.22 -1.07 0.00 0.00 179.97 179.64 2bk4 h LYS 351 N -0.21 0.11 -0.00 0.04 3.64 -0.70 -3.21 116.57 116.23 2bk4 h LYS 351 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2bk4 h LYS 351 Cb 1.12 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2bk4 h LYS 351 CO 0.08 0.14 -0.16 1.28 -2.27 0.00 0.00 179.45 178.53 2bk4 n LEU 352 N -5.00 0.16 0.29 5.20 4.77 0.16 -3.40 117.00 119.19 2bk4 n LEU 352 Ca -0.06 0.33 0.17 0.00 -0.03 0.00 0.00 56.01 56.43 2bk4 n LEU 352 Cb 0.06 -0.41 0.90 0.00 -2.33 0.00 0.00 43.42 41.64 2bk4 n LEU 352 CO 0.34 0.04 1.06 0.00 -1.33 0.00 0.00 177.39 177.50 2bk4 h ALA 353 N 3.02 1.16 0.00 -1.18 0.00 -1.50 -2.40 119.26 118.35 2bk4 h ALA 353 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2bk4 h ALA 353 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2bk4 h ALA 353 CO 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 179.25 179.17 2bk4 h ARG 354 N 0.00 0.00 -7.59 0.00 3.08 -1.74 -3.45 114.38 104.68 2bk4 h ARG 354 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 2bk4 h ARG 354 Cb 0.23 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.39 2bk4 h ARG 354 CO 0.01 0.14 0.37 -0.51 -1.07 0.00 0.00 179.97 178.90 2bk4 s LEU 355 N -7.00 2.33 0.59 3.04 1.43 -0.91 -5.07 118.68 113.08 2bk4 s LEU 355 Ca -0.02 0.80 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 2bk4 s LEU 355 Cb 0.12 -3.18 -0.00 0.00 0.03 0.00 0.00 46.19 43.15 2bk4 s LEU 355 CO 0.59 -2.22 0.93 0.42 0.23 0.00 0.00 176.35 176.29 2bk4 s THR 356 N -3.50 4.00 0.21 5.49 -4.23 -1.26 -4.93 115.64 111.42 2bk4 s THR 356 Ca 0.64 0.23 -0.09 0.00 -1.18 0.00 0.00 61.69 61.28 2bk4 s THR 356 Cb -0.12 -3.59 0.15 0.00 1.34 0.00 0.00 72.50 70.29 2bk4 s THR 356 CO 0.51 -0.65 1.75 0.50 -0.54 0.00 0.00 174.62 176.19 2bk4 h LYS 357 N -0.20 0.42 -0.76 3.99 3.64 -1.96 -1.08 116.57 120.63 2bk4 h LYS 357 Ca -0.45 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 2bk4 h LYS 357 Cb 1.24 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 2bk4 h LYS 357 CO 0.62 0.28 0.31 0.93 -2.27 0.00 0.00 179.45 179.31 2bk4 h GLU 358 N 0.43 1.12 -0.67 1.90 3.07 -1.99 -1.10 114.58 117.35 2bk4 h GLU 358 Ca 0.32 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 2bk4 h GLU 358 Cb 0.39 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 2bk4 h GLU 358 CO -0.30 0.91 0.15 0.93 -1.40 0.00 0.00 179.01 179.29 2bk4 h GLU 359 N 1.10 1.08 -0.49 2.33 5.08 -1.76 -1.90 114.58 120.02 2bk4 h GLU 359 Ca 0.25 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2bk4 h GLU 359 Cb 0.20 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2bk4 h GLU 359 CO -0.02 0.97 -0.04 0.00 -1.00 0.00 0.00 179.01 178.92 2bk4 h ARG 360 N 1.01 0.90 -0.47 2.33 3.08 -0.94 -2.49 114.38 117.78 2bk4 h ARG 360 Ca 0.21 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 60.00 2bk4 h ARG 360 Cb 0.39 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 2bk4 h ARG 360 CO 0.01 0.95 0.21 1.25 -1.07 0.00 0.00 179.97 181.31 2bk4 h LEU 361 N 0.75 0.27 -0.31 3.04 5.85 -1.04 -1.38 115.31 122.49 2bk4 h LEU 361 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2bk4 h LEU 361 Cb 0.57 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2bk4 h LEU 361 CO 0.03 0.19 0.20 0.50 -0.34 0.00 0.00 178.44 179.02 2bk4 h LYS 362 N 0.41 0.42 -0.76 1.25 3.64 -1.25 -1.09 116.57 119.19 2bk4 h LYS 362 Ca 0.22 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2bk4 h LYS 362 Cb 0.17 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2bk4 h LYS 362 CO -0.18 0.29 0.45 0.87 -2.27 0.00 0.00 179.45 178.61 2bk4 h LYS 363 N 0.42 1.04 -0.27 1.90 1.57 -1.16 -1.78 116.57 118.28 2bk4 h LYS 363 Ca 0.11 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2bk4 h LYS 363 Cb -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2bk4 h LYS 363 CO -0.02 0.75 0.06 -0.07 -0.57 0.00 0.00 179.45 179.59 2bk4 h LEU 364 N 1.05 0.42 -0.67 2.94 4.07 -1.06 -1.70 115.31 120.35 2bk4 h LEU 364 Ca 0.27 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 2bk4 h LEU 364 Cb -0.02 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 2bk4 h LEU 364 CO -0.05 0.55 0.42 0.00 -1.08 0.00 0.00 178.44 178.27 2bk4 h GLU 366 N 0.92 0.92 0.04 0.00 5.08 -1.31 -0.30 114.58 119.93 2bk4 h GLU 366 Ca 0.24 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2bk4 h GLU 366 Cb -0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2bk4 h GLU 366 CO -0.05 1.00 -0.02 1.25 -1.00 0.00 0.00 179.01 180.19 2bk4 h LEU 367 N 0.82 -0.06 -1.20 1.33 5.85 -1.07 -2.45 115.31 118.53 2bk4 h LEU 367 Ca 0.13 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2bk4 h LEU 367 Cb 0.68 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2bk4 h LEU 367 CO 0.05 -0.04 0.05 1.88 -0.34 0.00 0.00 178.44 180.04 2bk4 h TYR 368 N -0.06 0.62 -0.62 1.25 0.99 -0.81 -0.95 116.97 117.40 2bk4 h TYR 368 Ca -0.00 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 2bk4 h TYR 368 Cb 0.05 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 37.57 2bk4 h TYR 368 CO -0.08 0.57 0.28 0.00 -0.00 0.00 0.00 178.16 178.93 2bk4 h ALA 369 N 1.48 0.80 0.34 3.88 0.00 -0.98 -0.06 119.26 124.72 2bk4 h ALA 369 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2bk4 h ALA 369 Cb 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bk4 h ALA 369 CO 0.00 0.38 -0.16 0.87 0.00 0.00 0.00 179.25 180.34 2bk4 h LYS 370 N 0.85 -0.44 -0.31 0.00 1.57 -0.92 0.11 116.57 117.44 2bk4 h LYS 370 Ca 0.21 0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.84 2bk4 h LYS 370 Cb 0.14 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2bk4 h LYS 370 CO -0.02 -0.24 -0.52 0.28 -0.57 0.00 0.00 179.45 178.37 2bk4 h VAL 371 N -0.53 1.27 -0.00 0.50 2.07 -1.03 -2.76 116.25 115.77 2bk4 h VAL 371 Ca -0.05 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2bk4 h VAL 371 Cb 0.40 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2bk4 h VAL 371 CO 0.08 0.56 -0.20 0.18 0.02 0.00 0.00 177.57 178.20 2bk4 n LEU 372 N -4.01 0.27 -3.60 2.57 4.77 -0.05 -4.80 117.00 112.14 2bk4 n LEU 372 Ca -0.04 0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 2bk4 n LEU 372 Cb 0.61 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2bk4 n LEU 372 CO 0.50 0.06 0.16 0.61 -1.33 0.00 0.00 177.39 177.39 2bk4 n GLY 373 N 1.46 -0.46 2.70 -0.72 0.00 -0.09 -5.00 105.19 103.08 2bk4 n GLY 373 Ca 0.08 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 2bk4 n GLY 373 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bk4 s SER 374 N -3.72 0.82 0.59 1.61 0.01 -0.52 -5.01 113.70 107.49 2bk4 s SER 374 Ca 0.38 0.06 0.37 0.00 1.31 0.00 0.00 55.95 58.07 2bk4 s SER 374 Cb -0.17 -0.13 1.83 0.00 0.21 0.00 0.00 66.02 67.76 2bk4 s SER 374 CO 0.75 -0.21 2.16 -0.07 0.41 0.00 0.00 173.24 176.28 2bk4 h LEU 375 N 8.08 0.00 -2.14 2.44 3.38 -1.95 -2.77 115.31 122.36 2bk4 h LEU 375 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2bk4 h LEU 375 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2bk4 h LEU 375 CO 0.26 0.02 -0.06 -0.33 0.09 0.00 0.00 178.44 178.41 2bk4 h GLU 376 N 0.00 0.00 0.00 1.13 5.08 -1.96 -1.75 114.58 117.08 2bk4 h GLU 376 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bk4 h GLU 376 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2bk4 h GLU 376 CO 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 2bk4 h ALA 377 N 1.94 1.00 -0.08 3.43 0.00 -1.82 -2.60 119.26 121.13 2bk4 h ALA 377 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bk4 h ALA 377 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bk4 h ALA 377 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2bk4 n LEU 378 N -2.53 1.22 -3.20 0.00 4.77 -0.66 -4.43 117.00 112.17 2bk4 n LEU 378 Ca 0.01 -0.47 -0.27 0.00 -0.03 0.00 0.00 56.01 55.25 2bk4 n LEU 378 Cb 0.20 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2bk4 n LEU 378 CO 0.20 0.23 0.08 -0.62 -1.33 0.00 0.00 177.39 175.96 2bk4 n GLU 379 N -0.01 2.71 -2.20 3.23 4.71 -0.98 -5.06 120.64 123.04 2bk4 n GLU 379 Ca 0.17 -4.66 -0.35 0.00 -0.01 0.00 0.00 57.16 52.32 2bk4 n GLU 379 Cb 0.28 -2.19 0.01 0.00 -1.01 0.00 0.00 31.44 28.53 2bk4 n GLU 379 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2bk4 s PRO 380 N -2.86 3.26 -0.01 3.49 0.04 -1.26 -4.71 135.00 132.95 2bk4 s PRO 380 Ca 0.44 1.66 0.18 0.00 0.04 0.00 0.00 61.00 63.31 2bk4 s PRO 380 Cb 0.21 -1.99 -0.24 0.00 0.04 0.00 0.00 34.50 32.53 2bk4 s PRO 380 CO -0.07 -0.93 0.58 1.33 0.04 0.00 0.00 177.00 177.95 2bk4 n VAL 381 N -1.38 0.00 -3.54 -0.36 0.24 0.36 -4.98 118.33 108.66 2bk4 n VAL 381 Ca 0.12 -0.24 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 2bk4 n VAL 381 Cb 0.51 0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 33.41 2bk4 n VAL 381 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2bk4 s HIS 382 N -2.96 -0.28 -0.12 6.34 5.65 -1.24 -5.01 115.29 117.67 2bk4 s HIS 382 Ca 0.00 0.15 -0.08 0.00 0.25 0.00 0.00 55.06 55.38 2bk4 s HIS 382 Cb 0.13 0.54 0.04 0.00 -1.18 0.00 0.00 32.58 32.11 2bk4 s HIS 382 CO 0.74 -0.51 0.30 -0.47 -0.65 0.00 0.00 174.74 174.15 2bk4 s TYR 383 N -3.01 -0.38 0.03 3.88 5.04 -1.26 -1.05 117.35 120.59 2bk4 s TYR 383 Ca 0.07 0.89 0.04 0.00 -2.44 0.00 0.00 57.07 55.62 2bk4 s TYR 383 Cb -0.01 0.12 -0.02 0.00 0.35 0.00 0.00 41.96 42.40 2bk4 s TYR 383 CO -0.07 -0.22 -0.11 -1.21 -1.34 0.00 0.00 175.55 172.60 2bk4 s GLU 384 N 0.81 0.78 0.10 4.97 0.41 -0.35 -5.02 118.70 120.41 2bk4 s GLU 384 Ca -0.05 -0.62 -0.13 0.00 -0.41 0.00 0.00 54.97 53.76 2bk4 s GLU 384 Cb -0.06 -0.73 0.02 0.00 -1.78 0.00 0.00 34.13 31.57 2bk4 s GLU 384 CO -0.05 0.18 0.31 -1.83 -0.49 0.00 0.00 175.26 173.38 2bk4 s GLU 385 N -0.94 0.96 -0.13 1.61 -1.05 -1.26 -0.06 118.70 117.84 2bk4 s GLU 385 Ca -0.00 -0.79 -0.05 0.00 -0.15 0.00 0.00 54.97 53.98 2bk4 s GLU 385 Cb -0.07 0.41 0.06 0.00 -0.44 0.00 0.00 34.13 34.09 2bk4 s GLU 385 CO 0.01 -0.35 0.27 0.21 0.95 0.00 0.00 175.26 176.35 2bk4 s LYS 386 N -3.73 0.19 -0.48 -4.83 2.47 -0.32 -4.99 119.74 108.04 2bk4 s LYS 386 Ca 0.03 0.69 -0.17 0.00 -1.56 0.00 0.00 55.97 54.96 2bk4 s LYS 386 Cb 0.03 -0.05 0.06 0.00 -1.46 0.00 0.00 37.83 36.41 2bk4 s LYS 386 CO -0.11 -0.24 0.50 1.21 0.16 0.00 0.00 175.35 176.87 2bk4 s ASN 387 N 1.98 6.18 0.07 1.43 3.84 -1.26 -1.46 114.94 125.72 2bk4 s ASN 387 Ca -0.03 -1.10 0.23 0.00 0.21 0.00 0.00 52.86 52.17 2bk4 s ASN 387 Cb -0.11 -2.23 0.92 0.00 -0.55 0.00 0.00 41.25 39.27 2bk4 s ASN 387 CO -0.09 -0.75 1.71 0.79 -2.79 0.00 0.00 177.10 175.97 2bk4 n TRP 388 N 5.65 0.28 0.29 0.43 7.02 -0.88 -2.89 117.44 127.33 2bk4 n TRP 388 Ca -0.10 0.09 0.17 0.00 -1.02 0.00 0.00 57.50 56.64 2bk4 n TRP 388 Cb 0.45 -0.65 0.88 0.00 -2.42 0.00 0.00 31.31 29.56 2bk4 n TRP 388 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bk4 n GLU 390 N -3.42 0.59 -2.80 0.00 0.28 -1.14 -4.76 120.64 109.39 2bk4 n GLU 390 Ca -0.02 -0.23 -0.43 0.00 -0.16 0.00 0.00 57.16 56.32 2bk4 n GLU 390 Cb 0.19 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.52 2bk4 n GLU 390 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2bk4 s GLU 391 N -2.57 3.74 0.29 3.44 0.41 -1.09 -4.93 118.70 117.99 2bk4 s GLU 391 Ca 0.25 0.45 -0.02 0.00 -0.41 0.00 0.00 54.97 55.24 2bk4 s GLU 391 Cb 0.20 -3.85 0.45 0.00 -1.78 0.00 0.00 34.13 29.15 2bk4 s GLU 391 CO 0.51 -1.05 1.94 0.37 -0.49 0.00 0.00 175.26 176.54 2bk4 h GLN 392 N 8.70 1.09 -0.68 1.61 4.15 -1.91 0.42 115.11 128.50 2bk4 h GLN 392 Ca -0.23 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2bk4 h GLN 392 Cb 1.08 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.52 2bk4 h GLN 392 CO 1.00 0.72 0.00 0.66 -1.93 0.00 0.00 178.83 179.28 2bk4 n TYR 393 N -4.44 1.29 -0.02 3.99 4.02 -1.26 -4.29 117.16 116.45 2bk4 n TYR 393 Ca 0.11 -0.57 -0.05 0.00 -0.01 0.00 0.00 57.90 57.38 2bk4 n TYR 393 Cb 0.09 -0.15 -0.02 0.00 -0.02 0.00 0.00 39.34 39.24 2bk4 n TYR 393 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2bk4 n SER 394 N 1.30 0.37 0.00 7.72 7.64 -1.10 -4.91 113.62 124.63 2bk4 n SER 394 Ca 0.25 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2bk4 n SER 394 Cb 0.79 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2bk4 n SER 394 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bk4 n GLY 395 N 2.71 1.47 0.00 0.23 0.00 0.12 -4.87 105.19 104.85 2bk4 n GLY 395 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2bk4 n GLY 395 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk4 n GLY 396 N -2.00 -0.20 3.35 -0.02 0.00 -1.21 -4.49 105.19 100.62 2bk4 n GLY 396 Ca 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 2bk4 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bk4 h TYR 398 N 2.31 0.00 -3.06 0.00 0.05 -1.88 -3.10 116.97 111.28 2bk4 h TYR 398 Ca -0.34 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.40 2bk4 h TYR 398 Cb 1.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 2bk4 h TYR 398 CO 0.30 0.69 0.26 -0.08 -1.05 0.00 0.00 178.16 178.28 2bk4 s THR 399 N -3.09 0.00 0.10 -2.88 -1.32 -1.26 -4.95 115.64 102.25 2bk4 s THR 399 Ca 0.01 -1.03 -0.30 0.00 -1.21 0.00 0.00 61.69 59.16 2bk4 s THR 399 Cb 0.10 -2.97 -0.06 0.00 -1.51 0.00 0.00 72.50 68.06 2bk4 s THR 399 CO 0.77 0.00 1.13 -0.89 -2.21 0.00 0.00 174.62 173.42 2bk4 s THR 400 N -2.15 4.07 0.22 5.08 2.01 -1.26 -1.99 115.64 121.62 2bk4 s THR 400 Ca 0.17 1.60 0.08 0.00 0.31 0.00 0.00 61.69 63.84 2bk4 s THR 400 Cb -0.05 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2bk4 s THR 400 CO 0.12 0.19 0.06 -0.72 -0.69 0.00 0.00 174.62 173.58 2bk4 s TYR 401 N 0.51 2.89 -0.27 4.92 -0.85 0.13 -4.95 117.35 119.73 2bk4 s TYR 401 Ca 0.54 -0.15 -0.04 0.00 -0.52 0.00 0.00 57.07 56.91 2bk4 s TYR 401 Cb -0.28 -1.34 0.02 0.00 0.38 0.00 0.00 41.96 40.74 2bk4 s TYR 401 CO 0.31 0.55 -0.00 -0.06 -1.52 0.00 0.00 175.55 174.83 2bk4 s PHE 402 N -2.02 3.10 1.04 -3.49 0.40 -1.26 -3.82 117.98 111.93 2bk4 s PHE 402 Ca 0.30 -1.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.19 2bk4 s PHE 402 Cb -0.08 -2.14 0.21 0.00 0.51 0.00 0.00 43.02 41.52 2bk4 s PHE 402 CO 0.21 -0.66 1.07 -2.14 0.70 0.00 0.00 175.22 174.39 2bk4 s PRO 403 N 1.40 0.06 0.29 0.24 0.02 -1.26 -0.82 135.00 134.93 2bk4 s PRO 403 Ca 0.01 0.80 -0.30 0.00 0.02 0.00 0.00 61.00 61.54 2bk4 s PRO 403 Cb -0.17 -1.67 -0.12 0.00 0.02 0.00 0.00 34.50 32.56 2bk4 s PRO 403 CO -0.02 -3.05 1.42 -0.35 -0.33 0.00 0.00 177.00 174.68 2bk4 n PRO 404 N -4.44 2.27 0.00 5.54 -0.04 -1.26 -2.77 135.00 134.30 2bk4 n PRO 404 Ca 0.05 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2bk4 n PRO 404 Cb 0.55 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2bk4 n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bk4 n GLY 405 N 1.62 1.84 0.13 0.55 0.00 0.22 -4.93 105.19 104.62 2bk4 n GLY 405 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2bk4 n GLY 405 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bk4 h ILE 406 N 0.00 1.21 -0.70 -0.61 1.08 -1.80 -3.25 117.51 113.43 2bk4 h ILE 406 Ca 0.00 -2.49 -0.01 0.00 -0.39 0.00 0.00 64.86 61.97 2bk4 h ILE 406 Cb 0.00 2.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.63 2bk4 h ILE 406 CO 0.00 0.73 0.40 0.25 -0.69 0.00 0.00 178.15 178.84 2bk4 h LEU 407 N -0.24 0.87 -0.54 1.44 5.85 -1.92 0.16 115.31 120.93 2bk4 h LEU 407 Ca -0.25 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 2bk4 h LEU 407 Cb 1.80 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 2bk4 h LEU 407 CO 0.12 0.70 -0.31 0.71 -0.34 0.00 0.00 178.44 179.33 2bk4 h THR 408 N 0.96 1.28 0.11 1.05 1.35 -1.93 0.10 112.91 115.83 2bk4 h THR 408 Ca 0.25 -1.47 -0.27 0.00 -0.55 0.00 0.00 66.41 64.37 2bk4 h THR 408 Cb 0.02 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2bk4 h THR 408 CO -0.04 0.49 -1.28 1.56 -0.25 0.00 0.00 175.52 176.00 2bk4 h GLN 409 N 0.71 0.23 0.00 4.72 1.08 -1.51 -3.40 115.11 116.94 2bk4 h GLN 409 Ca 0.08 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2bk4 h GLN 409 Cb 0.87 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 2bk4 h GLN 409 CO 0.08 1.16 0.00 0.66 -0.95 0.00 0.00 178.83 179.77 2bk4 n TYR 410 N -3.48 0.00 -0.30 2.96 4.02 0.53 -4.83 117.16 116.06 2bk4 n TYR 410 Ca -0.09 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.87 2bk4 n TYR 410 Cb 1.02 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 40.62 2bk4 n TYR 410 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2bk4 h GLY 411 N 0.00 1.35 2.00 2.72 0.00 -0.81 -2.15 103.07 106.18 2bk4 h GLY 411 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2bk4 h GLY 411 CO 0.00 0.20 0.00 0.07 0.00 0.00 0.00 176.54 176.81 2bk4 h ARG 412 N 0.91 0.00 0.00 4.80 0.11 -1.87 -2.72 114.38 115.60 2bk4 h ARG 412 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 2bk4 h ARG 412 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2bk4 h ARG 412 CO -0.19 0.00 -0.35 1.55 0.10 0.00 0.00 179.97 181.08 2bk4 n VAL 413 N -2.94 0.28 -0.19 0.08 3.14 -0.81 -4.27 118.33 113.62 2bk4 n VAL 413 Ca -0.00 -0.17 -0.05 0.00 -2.96 0.00 0.00 64.34 61.15 2bk4 n VAL 413 Cb 0.22 -0.22 0.01 0.00 -1.06 0.00 0.00 33.84 32.79 2bk4 n VAL 413 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2bk4 h LEU 414 N 0.00 -1.10 -3.09 6.55 3.38 -1.60 -2.73 115.31 116.72 2bk4 h LEU 414 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2bk4 h LEU 414 Cb 0.65 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2bk4 h LEU 414 CO 0.00 -0.30 0.00 -2.11 0.09 0.00 0.00 178.44 176.12 2bk4 n ARG 415 N -5.43 2.99 -2.35 1.13 1.85 -1.26 -4.88 116.66 108.71 2bk4 n ARG 415 Ca 0.04 -2.50 -0.43 0.00 -1.00 0.00 0.00 57.85 53.96 2bk4 n ARG 415 Cb 0.35 -1.60 -0.02 0.00 -1.05 0.00 0.00 32.46 30.13 2bk4 n ARG 415 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2bk4 s GLN 416 N -1.96 4.26 0.57 2.89 0.74 -1.03 -4.61 119.66 120.52 2bk4 s GLN 416 Ca 0.35 1.78 -0.21 0.00 0.05 0.00 0.00 55.36 57.33 2bk4 s GLN 416 Cb 0.24 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 2bk4 s GLN 416 CO 0.13 -0.64 1.27 -2.30 -0.55 0.00 0.00 175.29 173.20 2bk4 n PRO 417 N 6.15 1.45 -3.79 1.67 -0.02 -1.26 -4.89 135.00 134.30 2bk4 n PRO 417 Ca 0.13 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 2bk4 n PRO 417 Cb 0.45 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 2bk4 n PRO 417 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bk4 s VAL 418 N -1.34 3.31 0.00 -1.45 1.01 -0.22 -4.97 120.40 116.75 2bk4 s VAL 418 Ca 0.74 -2.64 0.00 0.00 0.00 0.00 0.00 61.98 60.08 2bk4 s VAL 418 Cb -0.42 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2bk4 s VAL 418 CO 0.47 -0.78 0.00 -0.67 0.00 0.00 0.00 175.10 174.12 2bk4 n ASP 419 N 3.89 0.00 -0.95 3.32 2.03 -1.26 -1.23 116.55 122.35 2bk4 n ASP 419 Ca 0.04 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.42 2bk4 n ASP 419 Cb 0.39 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.02 2bk4 n ASP 419 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bk4 n ARG 420 N 0.00 3.03 -3.64 -0.67 1.74 -1.26 -4.92 116.66 110.94 2bk4 n ARG 420 Ca 0.00 -2.43 -0.37 0.00 -0.77 0.00 0.00 57.85 54.28 2bk4 n ARG 420 Cb 0.00 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 29.82 2bk4 n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bk4 s ILE 421 N -1.48 5.35 0.21 0.55 1.01 -0.37 -1.11 121.20 125.36 2bk4 s ILE 421 Ca 0.35 0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.27 2bk4 s ILE 421 Cb 0.22 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2bk4 s ILE 421 CO 0.19 0.32 0.04 -0.31 0.00 0.00 0.00 174.94 175.18 2bk4 s TYR 422 N 1.22 2.87 -0.21 3.97 1.51 0.16 -1.05 117.35 125.81 2bk4 s TYR 422 Ca 0.08 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2bk4 s TYR 422 Cb -0.14 -1.34 0.03 0.00 -0.11 0.00 0.00 41.96 40.40 2bk4 s TYR 422 CO 0.06 0.55 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.83 2bk4 s PHE 423 N -1.95 2.97 0.00 2.71 0.40 -1.26 -0.85 117.98 119.99 2bk4 s PHE 423 Ca 0.30 -1.86 0.00 0.00 -0.60 0.00 0.00 56.93 54.77 2bk4 s PHE 423 Cb -0.08 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.51 2bk4 s PHE 423 CO 0.20 -0.82 0.00 0.00 0.70 0.00 0.00 175.22 175.30 2bk4 n ALA 424 N 4.56 0.00 0.00 5.36 0.00 -0.38 -4.74 120.51 125.31 2bk4 n ALA 424 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2bk4 n ALA 424 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2bk4 n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bk4 n GLY 425 N 5.00 -0.07 0.34 0.00 0.00 -1.26 -4.54 105.19 104.65 2bk4 n GLY 425 Ca 0.00 -1.44 0.16 0.00 0.00 0.00 0.00 46.02 44.74 2bk4 n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bk4 h THR 426 N 0.00 0.79 0.00 2.61 1.03 -1.84 -1.17 112.91 114.33 2bk4 h THR 426 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2bk4 h THR 426 Cb 0.00 0.84 -0.00 0.00 -1.07 0.00 0.00 68.15 67.92 2bk4 h THR 426 CO 0.00 0.00 -0.01 -0.33 -0.01 0.00 0.00 175.52 175.17 2bk4 h GLU 427 N 0.00 0.00 -0.02 0.00 3.07 -1.89 -1.33 114.58 114.41 2bk4 h GLU 427 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2bk4 h GLU 427 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2bk4 h GLU 427 CO -0.00 0.01 -0.09 0.25 -1.40 0.00 0.00 179.01 177.77 2bk4 n THR 428 N -3.27 0.00 -1.29 1.13 -2.24 -0.44 -4.95 114.28 103.22 2bk4 n THR 428 Ca -0.03 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 2bk4 n THR 428 Cb 0.11 0.92 0.11 0.00 -2.10 0.00 0.00 70.33 69.36 2bk4 n THR 428 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bk4 s ALA 429 N -2.13 1.94 -0.64 6.98 0.00 -0.50 -4.89 121.76 122.52 2bk4 s ALA 429 Ca 0.30 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.37 2bk4 s ALA 429 Cb 0.20 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2bk4 s ALA 429 CO 0.38 -2.01 0.53 0.25 0.00 0.00 0.00 175.76 174.91 2bk4 n THR 430 N -3.66 0.00 -3.68 0.00 -2.24 -1.26 -4.60 114.28 98.84 2bk4 n THR 430 Ca 0.08 -0.43 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 2bk4 n THR 430 Cb 0.54 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 69.69 2bk4 n THR 430 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2bk4 s HIS 431 N -1.04 -0.04 -1.44 4.78 5.65 -1.26 -4.74 115.29 117.21 2bk4 s HIS 431 Ca 0.06 0.39 -0.10 0.00 0.25 0.00 0.00 55.06 55.66 2bk4 s HIS 431 Cb 0.05 -0.37 0.06 0.00 -1.18 0.00 0.00 32.58 31.15 2bk4 s HIS 431 CO 0.16 -0.21 0.71 0.91 -0.65 0.00 0.00 174.74 175.66 2bk4 n TRP 432 N 5.18 -2.05 -1.67 3.88 7.02 -0.32 -3.93 117.44 125.55 2bk4 n TRP 432 Ca -0.06 0.65 -0.44 0.00 -1.02 0.00 0.00 57.50 56.62 2bk4 n TRP 432 Cb 0.50 -3.76 -0.02 0.00 -2.42 0.00 0.00 31.31 25.61 2bk4 n TRP 432 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2bk4 n SER 433 N -2.55 2.65 0.00 -0.99 2.88 -1.26 -1.97 113.62 112.37 2bk4 n SER 433 Ca -0.02 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2bk4 n SER 433 Cb 0.56 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2bk4 n SER 433 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bk4 n GLY 434 N 1.62 2.29 3.71 0.46 0.00 -1.24 -4.95 105.19 107.09 2bk4 n GLY 434 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2bk4 n GLY 434 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bk4 s TYR 435 N -2.54 2.63 0.27 1.61 1.51 -0.83 -4.68 117.35 115.32 2bk4 s TYR 435 Ca 0.00 -0.48 -0.00 0.00 -1.01 0.00 0.00 57.07 55.58 2bk4 s TYR 435 Cb 0.00 -1.73 0.51 0.00 -0.11 0.00 0.00 41.96 40.63 2bk4 s TYR 435 CO 0.00 0.31 1.83 0.52 -1.11 0.00 0.00 175.55 177.10 2bk4 h MET 436 N 1.56 0.94 -0.31 -0.62 2.86 -1.90 -1.60 114.93 115.85 2bk4 h MET 436 Ca -0.43 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.22 2bk4 h MET 436 Cb 1.25 -0.21 -0.07 0.00 0.06 0.00 0.00 31.60 32.64 2bk4 h MET 436 CO 0.67 0.62 -0.12 1.49 1.06 0.00 0.00 176.91 180.62 2bk4 h GLU 437 N 0.96 -0.06 -0.57 1.72 4.57 -1.93 -2.13 114.58 117.14 2bk4 h GLU 437 Ca 0.47 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2bk4 h GLU 437 Cb 0.44 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 2bk4 h GLU 437 CO -0.26 -0.04 0.35 0.78 -1.18 0.00 0.00 179.01 178.66 2bk4 h GLY 438 N -0.07 0.82 0.92 1.92 0.00 -0.89 -1.72 103.07 104.06 2bk4 h GLY 438 Ca 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.17 2bk4 h GLY 438 CO -0.35 0.32 0.18 0.00 0.00 0.00 0.00 176.54 176.69 2bk4 h ALA 439 N 1.60 0.40 -0.05 3.60 0.00 -0.69 -1.16 119.26 122.96 2bk4 h ALA 439 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bk4 h ALA 439 Cb -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2bk4 h ALA 439 CO -0.04 -0.18 0.02 0.28 0.00 0.00 0.00 179.25 179.33 2bk4 h VAL 440 N 0.38 1.08 -0.40 0.00 2.07 -1.00 -1.39 116.25 116.98 2bk4 h VAL 440 Ca 0.13 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.50 2bk4 h VAL 440 Cb 0.01 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 2bk4 h VAL 440 CO -0.06 0.06 -0.02 -0.08 0.02 0.00 0.00 177.57 177.49 2bk4 h GLU 441 N -0.02 0.08 -0.23 1.57 4.81 -1.15 -1.90 114.58 117.74 2bk4 h GLU 441 Ca 0.02 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 2bk4 h GLU 441 Cb 0.08 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2bk4 h GLU 441 CO -0.00 0.05 -0.53 0.00 -0.73 0.00 0.00 179.01 177.79 2bk4 h ALA 442 N 1.36 0.63 -0.28 2.92 0.00 -1.13 -1.45 119.26 121.32 2bk4 h ALA 442 Ca 0.20 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2bk4 h ALA 442 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2bk4 h ALA 442 CO -0.35 0.68 -0.01 0.78 0.00 0.00 0.00 179.25 180.36 2bk4 h GLY 443 N 0.94 0.53 1.17 0.00 0.00 -1.04 -1.13 103.07 103.55 2bk4 h GLY 443 Ca 0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 2bk4 h GLY 443 CO 0.11 0.37 -0.28 0.83 0.00 0.00 0.00 176.54 177.56 2bk4 h GLU 444 N 0.27 0.93 -0.28 4.80 5.08 -1.34 -1.44 114.58 122.59 2bk4 h GLU 444 Ca 0.08 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2bk4 h GLU 444 Cb 0.44 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2bk4 h GLU 444 CO 0.02 1.09 0.13 -0.09 -1.00 0.00 0.00 179.01 179.15 2bk4 h ARG 445 N 0.78 0.41 -0.64 2.33 2.43 -1.22 -0.65 114.38 117.83 2bk4 h ARG 445 Ca 0.09 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2bk4 h ARG 445 Cb 0.86 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 2bk4 h ARG 445 CO 0.08 0.40 0.35 0.00 -1.51 0.00 0.00 179.97 179.28 2bk4 h ALA 446 N 0.99 0.82 -0.38 2.80 0.00 -1.17 -0.41 119.26 121.91 2bk4 h ALA 446 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2bk4 h ALA 446 Cb 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2bk4 h ALA 446 CO -0.01 0.34 0.14 0.00 0.00 0.00 0.00 179.25 179.72 2bk4 h ALA 447 N 1.16 0.44 0.00 0.00 0.00 -1.06 -2.67 119.26 117.14 2bk4 h ALA 447 Ca 0.22 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2bk4 h ALA 447 Cb 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bk4 h ALA 447 CO -0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 179.25 178.67 2bk4 h ARG 448 N 0.30 0.00 -0.76 0.00 3.08 -0.70 -1.57 114.38 114.74 2bk4 h ARG 448 Ca 0.17 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.23 2bk4 h ARG 448 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2bk4 h ARG 448 CO -0.16 0.30 0.50 0.93 -1.07 0.00 0.00 179.97 180.47 2bk4 h GLU 449 N 0.00 0.99 -0.42 0.04 5.08 -0.74 -0.70 114.58 118.83 2bk4 h GLU 449 Ca -0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2bk4 h GLU 449 Cb 0.54 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2bk4 h GLU 449 CO 0.04 0.65 -0.13 0.82 -1.00 0.00 0.00 179.01 179.40 2bk4 h ILE 450 N 1.02 1.28 -0.87 3.13 2.04 -1.22 -0.22 117.51 122.66 2bk4 h ILE 450 Ca 0.28 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.98 2bk4 h ILE 450 Cb -0.10 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2bk4 h ILE 450 CO -0.07 0.42 0.53 -0.07 0.00 0.00 0.00 178.15 178.96 2bk4 h LEU 451 N 0.64 0.81 -0.30 1.44 3.38 -1.05 0.16 115.31 120.39 2bk4 h LEU 451 Ca 0.10 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2bk4 h LEU 451 Cb 0.66 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2bk4 h LEU 451 CO 0.05 0.50 -0.01 -0.74 0.09 0.00 0.00 178.44 178.33 2bk4 h HIS 452 N 0.94 0.58 -0.57 1.13 2.76 -0.93 -0.19 115.15 118.86 2bk4 h HIS 452 Ca 0.39 -0.10 0.11 0.00 -2.20 0.00 0.00 60.37 58.57 2bk4 h HIS 452 Cb 0.24 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 2bk4 h HIS 452 CO -0.04 0.67 0.39 0.00 -1.30 0.00 0.00 177.93 177.66 2bk4 h ALA 453 N 0.83 2.14 -0.00 5.26 0.00 -0.52 0.90 119.26 127.87 2bk4 h ALA 453 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bk4 h ALA 453 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2bk4 h ALA 453 CO 0.02 -0.28 -0.01 -1.33 0.00 0.00 0.00 179.25 177.65 2bk4 n MET 454 N -4.45 1.06 -1.17 0.00 2.00 -0.00 -4.91 117.12 109.64 2bk4 n MET 454 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 57.70 57.55 2bk4 n MET 454 Cb 0.43 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.13 2bk4 n MET 454 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2bk4 n GLY 455 N 1.07 0.81 0.12 3.03 0.00 0.31 -4.93 105.19 105.59 2bk4 n GLY 455 Ca 0.22 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.76 2bk4 n GLY 455 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bk4 h LYS 456 N 0.17 0.00 -4.34 1.61 1.57 -1.23 -3.47 116.57 110.89 2bk4 h LYS 456 Ca -0.12 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.46 2bk4 h LYS 456 Cb 0.49 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.61 2bk4 h LYS 456 CO 0.18 0.41 -0.70 0.96 -0.57 0.00 0.00 179.45 179.72 2bk4 s ILE 457 N -2.95 0.37 0.76 1.86 -4.36 -1.22 -4.98 121.20 110.69 2bk4 s ILE 457 Ca 0.01 -1.37 -0.11 0.00 -0.26 0.00 0.00 60.65 58.92 2bk4 s ILE 457 Cb 0.08 -0.93 0.05 0.00 1.25 0.00 0.00 42.46 42.91 2bk4 s ILE 457 CO 0.78 -0.66 1.08 -2.16 0.24 0.00 0.00 174.94 174.22 2bk4 s PRO 458 N -2.54 2.34 0.33 0.37 0.04 -1.26 -4.35 135.00 129.95 2bk4 s PRO 458 Ca -0.03 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.04 2bk4 s PRO 458 Cb -0.03 -1.92 0.69 0.00 0.04 0.00 0.00 34.50 33.28 2bk4 s PRO 458 CO -0.03 -1.53 1.90 1.49 0.04 0.00 0.00 177.00 178.87 2bk4 h GLU 459 N -1.04 0.81 0.00 4.56 4.81 -1.99 -1.66 114.58 120.08 2bk4 h GLU 459 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2bk4 h GLU 459 Cb 1.24 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2bk4 h GLU 459 CO 0.55 0.54 0.00 -0.40 -0.73 0.00 0.00 179.01 178.96 2bk4 n ASP 460 N -4.52 0.00 -0.77 1.04 5.75 -1.26 -2.28 116.55 114.50 2bk4 n ASP 460 Ca 0.15 -0.81 0.10 0.00 -0.01 0.00 0.00 54.79 54.22 2bk4 n ASP 460 Cb 0.32 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.49 2bk4 n ASP 460 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bk4 n GLU 461 N -0.91 1.66 -0.01 0.11 1.02 -0.62 -4.54 120.64 117.35 2bk4 n GLU 461 Ca 0.14 -1.65 -0.12 0.00 -0.02 0.00 0.00 57.16 55.51 2bk4 n GLU 461 Cb 0.06 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 2bk4 n GLU 461 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2bk4 h ILE 462 N 3.72 1.14 -3.30 -3.67 2.04 -1.58 -3.41 117.51 112.45 2bk4 h ILE 462 Ca 0.00 -0.41 -0.60 0.00 1.00 0.00 0.00 64.86 64.84 2bk4 h ILE 462 Cb 0.79 1.28 -0.13 0.00 -0.74 0.00 0.00 36.82 38.02 2bk4 h ILE 462 CO 0.00 0.12 -0.51 0.26 0.00 0.00 0.00 178.15 178.02 2bk4 s TRP 463 N -5.56 3.37 -0.06 1.37 0.52 -1.26 -4.61 118.94 112.71 2bk4 s TRP 463 Ca -0.14 0.27 0.01 0.00 0.02 0.00 0.00 56.10 56.26 2bk4 s TRP 463 Cb 0.06 -2.15 0.02 0.00 -1.15 0.00 0.00 33.47 30.24 2bk4 s TRP 463 CO 0.68 0.24 -0.05 -1.14 0.02 0.00 0.00 176.95 176.70 2bk4 s GLN 464 N 0.43 0.98 0.82 4.98 0.74 -1.26 -5.02 119.66 121.33 2bk4 s GLN 464 Ca 0.07 -0.14 -0.11 0.00 0.05 0.00 0.00 55.36 55.24 2bk4 s GLN 464 Cb -0.11 -0.99 0.08 0.00 1.10 0.00 0.00 33.01 33.09 2bk4 s GLN 464 CO -0.01 -0.10 1.09 -1.54 -0.55 0.00 0.00 175.29 174.18 2bk4 s SER 465 N 1.06 4.09 -0.11 6.67 1.04 -1.26 -5.06 113.70 120.13 2bk4 s SER 465 Ca -0.09 1.73 0.02 0.00 0.48 0.00 0.00 55.95 58.10 2bk4 s SER 465 Cb -0.14 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.58 2bk4 s SER 465 CO -0.01 -2.28 -0.17 -0.70 0.98 0.00 0.00 173.24 171.06 2bk4 s GLU 466 N -4.90 2.34 0.45 4.02 2.56 -1.26 -5.12 118.70 116.79 2bk4 s GLU 466 Ca 0.62 -0.61 -0.25 0.00 0.00 0.00 0.00 54.97 54.73 2bk4 s GLU 466 Cb -0.18 -1.94 -0.08 0.00 2.00 0.00 0.00 34.13 33.93 2bk4 s GLU 466 CO 0.56 -0.02 1.39 -2.14 -0.56 0.00 0.00 175.26 174.49 2bk4 s PRO 467 N 0.86 3.72 0.31 4.30 0.02 -1.26 -4.95 135.00 138.00 2bk4 s PRO 467 Ca -0.09 2.34 -0.29 0.00 0.02 0.00 0.00 61.00 62.98 2bk4 s PRO 467 Cb -0.15 -2.65 -0.10 0.00 0.02 0.00 0.00 34.50 31.61 2bk4 s PRO 467 CO 0.00 -0.76 1.42 -2.00 -0.33 0.00 0.00 177.00 175.33 2bk4 s GLU 468 N -2.43 4.25 0.26 5.54 2.12 -1.26 -4.89 118.70 122.28 2bk4 s GLU 468 Ca 0.61 2.36 -0.31 0.00 0.36 0.00 0.00 54.97 57.98 2bk4 s GLU 468 Cb -0.42 -3.06 -0.12 0.00 0.26 0.00 0.00 34.13 30.79 2bk4 s GLU 468 CO 0.54 -0.39 1.55 0.45 -0.54 0.00 0.00 175.26 176.87 2bk4 n SER 469 N 1.43 3.45 0.18 -1.70 2.88 -1.26 -4.91 113.62 113.68 2bk4 n SER 469 Ca 0.03 1.13 0.07 0.00 -1.33 0.00 0.00 58.87 58.78 2bk4 n SER 469 Cb 0.40 -1.52 0.11 0.00 -0.75 0.00 0.00 64.21 62.45 2bk4 n SER 469 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2bk4 h VAL 470 N 3.32 0.45 0.06 2.46 -1.51 -2.01 -3.30 116.25 115.71 2bk4 h VAL 470 Ca -0.46 -1.61 -0.27 0.00 -1.23 0.00 0.00 66.70 63.14 2bk4 h VAL 470 Cb 1.24 2.20 -0.02 0.00 -2.13 0.00 0.00 31.29 32.58 2bk4 h VAL 470 CO 0.81 0.25 -1.35 0.44 -1.23 0.00 0.00 177.57 176.49 2bk4 h ASP 471 N 0.00 0.19 -2.33 4.19 5.19 -2.02 -3.39 116.42 118.24 2bk4 h ASP 471 Ca -0.00 -0.25 -0.59 0.00 -0.62 0.00 0.00 57.03 55.57 2bk4 h ASP 471 Cb 1.18 -0.06 -0.41 0.00 0.18 0.00 0.00 39.33 40.22 2bk4 h ASP 471 CO 0.03 1.20 -0.77 0.52 -3.12 0.00 0.00 179.24 177.11 2bk4 n VAL 472 N -3.35 1.02 -2.37 -1.35 0.31 -1.25 -5.11 118.33 106.23 2bk4 n VAL 472 Ca -0.10 -4.63 -0.35 0.00 -0.01 0.00 0.00 64.34 59.24 2bk4 n VAL 472 Cb 1.01 -2.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.89 2bk4 n VAL 472 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2bk4 s PRO 473 N -1.66 3.67 -0.20 5.55 0.04 -1.24 -4.54 135.00 136.62 2bk4 s PRO 473 Ca 0.35 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 2bk4 s PRO 473 Cb 0.11 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2bk4 s PRO 473 CO -0.09 -0.58 0.30 0.00 0.04 0.00 0.00 177.00 176.67 2bk4 s ALA 474 N -1.76 3.58 0.28 8.56 0.00 -1.26 -4.81 121.76 126.35 2bk4 s ALA 474 Ca 0.67 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.82 2bk4 s ALA 474 Cb -0.23 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 2bk4 s ALA 474 CO 0.27 -0.14 0.81 -0.65 0.00 0.00 0.00 175.76 176.04 2bk4 s GLN 475 N 0.97 4.33 0.67 0.00 -1.52 -1.26 -5.06 119.66 117.79 2bk4 s GLN 475 Ca 0.15 1.01 -0.15 0.00 -1.95 0.00 0.00 55.36 54.42 2bk4 s GLN 475 Cb -0.14 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 29.90 2bk4 s GLN 475 CO 0.05 0.30 1.11 -1.25 -0.25 0.00 0.00 175.29 175.26 2bk4 s PRO 476 N -2.19 2.74 -0.17 2.91 0.04 -1.26 -4.99 135.00 132.08 2bk4 s PRO 476 Ca 0.48 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.67 2bk4 s PRO 476 Cb -0.16 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 2bk4 s PRO 476 CO 0.21 -1.30 0.82 0.42 0.04 0.00 0.00 177.00 177.19 2bk4 s ILE 477 N -2.35 4.89 0.21 0.56 -1.09 -1.26 -5.06 121.20 117.11 2bk4 s ILE 477 Ca 0.67 1.60 0.11 0.00 -2.23 0.00 0.00 60.65 60.80 2bk4 s ILE 477 Cb -0.21 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 2bk4 s ILE 477 CO 0.42 0.04 -0.16 0.42 -1.23 0.00 0.00 174.94 174.43 2bk4 s THR 478 N 2.11 2.75 0.18 2.92 -4.23 -1.26 -5.15 115.64 112.96 2bk4 s THR 478 Ca 0.38 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 2bk4 s THR 478 Cb -0.17 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 2bk4 s THR 478 CO 0.12 -0.19 -0.14 0.42 -0.54 0.00 0.00 174.62 174.30 2bk4 s THR 479 N -1.89 1.57 0.42 3.99 -4.23 -1.26 -5.15 115.64 109.08 2bk4 s THR 479 Ca 0.25 -2.11 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2bk4 s THR 479 Cb -0.08 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 2bk4 s THR 479 CO 0.13 -0.60 0.65 0.42 -0.54 0.00 0.00 174.62 174.68 2bk4 s THR 480 N -2.91 4.52 0.18 3.99 -4.23 -1.26 -4.98 115.64 110.95 2bk4 s THR 480 Ca 0.19 -0.38 -0.14 0.00 -1.18 0.00 0.00 61.69 60.18 2bk4 s THR 480 Cb -0.01 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.24 2bk4 s THR 480 CO 0.05 -0.49 1.72 0.15 -0.54 0.00 0.00 174.62 175.51 2bk4 h PHE 481 N 0.49 0.15 -0.73 3.99 3.57 -2.02 -1.95 116.94 120.45 2bk4 h PHE 481 Ca -0.48 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 2bk4 h PHE 481 Cb 1.23 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 2bk4 h PHE 481 CO 0.49 0.01 0.20 -0.07 -2.23 0.00 0.00 178.31 176.71 2bk4 h LEU 482 N 0.23 1.09 -0.73 0.59 3.38 -1.97 -1.78 115.31 116.11 2bk4 h LEU 482 Ca 0.22 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2bk4 h LEU 482 Cb 0.28 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2bk4 h LEU 482 CO -0.29 1.03 0.44 -0.33 0.09 0.00 0.00 178.44 179.38 2bk4 h GLU 483 N 1.09 0.80 -0.30 1.13 5.08 -1.86 -0.18 114.58 120.34 2bk4 h GLU 483 Ca 0.23 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 2bk4 h GLU 483 Cb 0.35 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2bk4 h GLU 483 CO -0.00 0.53 -0.28 0.00 -1.00 0.00 0.00 179.01 178.26 2bk4 h ARG 484 N 0.82 0.62 0.00 2.33 3.08 -1.05 -3.39 114.38 116.80 2bk4 h ARG 484 Ca 0.31 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2bk4 h ARG 484 Cb 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2bk4 h ARG 484 CO -0.15 0.83 -0.73 0.72 -1.07 0.00 0.00 179.97 179.57 2bk4 n HIS 485 N -4.09 0.00 -1.80 3.04 8.25 -0.70 -5.00 115.22 114.92 2bk4 n HIS 485 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2bk4 n HIS 485 Cb 0.44 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.49 2bk4 n HIS 485 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2bk4 s LEU 486 N -2.80 4.32 0.66 2.41 1.43 -0.10 -4.97 118.68 119.63 2bk4 s LEU 486 Ca 0.00 3.05 -0.13 0.00 -1.03 0.00 0.00 54.13 56.03 2bk4 s LEU 486 Cb 0.04 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 2bk4 s LEU 486 CO 0.23 -0.88 1.06 -2.16 0.23 0.00 0.00 176.35 174.83 2bk4 s PRO 487 N -2.02 3.05 1.15 1.29 0.04 -1.26 -4.95 135.00 132.31 2bk4 s PRO 487 Ca 0.53 1.07 -0.18 0.00 0.04 0.00 0.00 61.00 62.47 2bk4 s PRO 487 Cb -0.47 -2.00 0.26 0.00 0.04 0.00 0.00 34.50 32.34 2bk4 s PRO 487 CO 0.63 -1.01 1.11 -1.54 0.04 0.00 0.00 177.00 176.22 2bk4 s SER 488 N -3.34 1.33 0.06 6.66 1.04 -1.26 -4.78 113.70 113.40 2bk4 s SER 488 Ca 0.61 0.73 -0.26 0.00 0.48 0.00 0.00 55.95 57.51 2bk4 s SER 488 Cb -0.15 -1.06 -0.17 0.00 0.10 0.00 0.00 66.02 64.74 2bk4 s SER 488 CO 0.47 -3.88 1.59 0.58 0.98 0.00 0.00 173.24 172.98 2bk4 h VAL 489 N -2.41 0.81 -0.02 5.02 2.07 -1.90 -0.97 116.25 118.85 2bk4 h VAL 489 Ca -0.47 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2bk4 h VAL 489 Cb 1.30 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2bk4 h VAL 489 CO 0.39 0.05 -0.12 1.55 0.02 0.00 0.00 177.57 179.46 2bk4 h PRO 490 N -0.41 0.02 -0.47 1.57 0.13 -1.96 -2.17 132.00 128.71 2bk4 h PRO 490 Ca -0.03 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2bk4 h PRO 490 Cb 0.31 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 2bk4 h PRO 490 CO 0.05 0.15 0.24 0.78 -0.23 0.00 0.00 178.00 178.99 2bk4 h GLY 491 N 0.42 0.72 1.22 1.56 0.00 -1.86 -1.17 103.07 103.96 2bk4 h GLY 491 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2bk4 h GLY 491 CO 0.02 0.33 0.20 -2.00 0.00 0.00 0.00 176.54 175.08 2bk4 h LEU 492 N 0.62 0.92 -0.93 3.11 5.85 -0.83 -2.51 115.31 121.53 2bk4 h LEU 492 Ca 0.16 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2bk4 h LEU 492 Cb 0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2bk4 h LEU 492 CO -0.02 0.86 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.73 2bk4 h LEU 493 N 0.95 0.62 -0.40 2.25 3.38 -1.11 -1.68 115.31 119.32 2bk4 h LEU 493 Ca 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2bk4 h LEU 493 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2bk4 h LEU 493 CO -0.01 0.78 0.23 0.03 0.09 0.00 0.00 178.44 179.56 2bk4 h ARG 494 N 0.57 0.55 -0.25 1.13 3.08 -0.98 -2.67 114.38 115.80 2bk4 h ARG 494 Ca 0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2bk4 h ARG 494 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2bk4 h ARG 494 CO 0.04 0.42 0.09 -0.07 -1.07 0.00 0.00 179.97 179.38 2bk4 h LEU 495 N 0.52 0.31 0.00 3.04 4.07 -1.17 -3.52 115.31 118.57 2bk4 h LEU 495 Ca 0.14 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2bk4 h LEU 495 Cb 0.02 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2bk4 h LEU 495 CO -0.03 0.30 0.00 -0.38 -1.08 0.00 0.00 178.44 177.26