#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw5 s LYS 2 N 0.00 1.68 0.00 2.12 1.02 -1.26 -3.05 119.74 120.25 1bw5 s LYS 2 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1bw5 s LYS 2 Cb 0.00 -5.01 0.00 0.00 -0.52 0.00 0.00 37.83 32.30 1bw5 s LYS 2 CO 0.00 -4.78 0.00 -2.37 -0.92 0.00 0.00 175.35 167.28 1bw5 n THR 3 N 8.61 0.00 -3.16 2.17 5.66 -1.26 -5.09 114.28 121.21 1bw5 n THR 3 Ca 0.43 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 61.22 1bw5 n THR 3 Cb 0.46 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.26 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1bw5 n THR 4 N -0.51 -7.26 -2.96 1.09 -1.04 -1.17 -4.98 114.28 97.45 1bw5 n THR 4 Ca 0.00 0.57 -0.25 0.00 -2.04 0.00 0.00 64.05 62.34 1bw5 n THR 4 Cb 0.00 -5.27 0.00 0.00 -1.82 0.00 0.00 70.33 63.25 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1bw5 s ARG 5 N -2.34 3.31 0.01 -2.82 6.06 -1.26 -5.03 118.95 116.88 1bw5 s ARG 5 Ca 0.27 -0.21 -0.30 0.00 -2.50 0.00 0.00 55.73 52.99 1bw5 s ARG 5 Cb -0.05 -2.51 -0.07 0.00 0.06 0.00 0.00 34.95 32.39 1bw5 s ARG 5 CO 0.76 -0.16 1.55 0.54 -2.50 0.00 0.00 175.30 175.48 1bw5 s VAL 6 N -2.57 3.42 -0.33 7.11 0.11 -1.26 -4.86 120.40 122.02 1bw5 s VAL 6 Ca 0.46 0.78 0.04 0.00 -2.93 0.00 0.00 61.98 60.33 1bw5 s VAL 6 Cb -0.10 -3.50 0.33 0.00 -1.53 0.00 0.00 36.38 31.58 1bw5 s VAL 6 CO 0.40 -0.02 1.40 -2.11 -3.33 0.00 0.00 175.10 171.44 1bw5 n ARG 7 N 5.83 0.19 -2.20 1.54 1.85 -1.26 -5.16 116.66 117.44 1bw5 n ARG 7 Ca 0.15 -0.76 -0.29 0.00 -1.00 0.00 0.00 57.85 55.95 1bw5 n ARG 7 Cb 0.42 -0.19 0.01 0.00 -1.05 0.00 0.00 32.46 31.65 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1bw5 s THR 8 N 0.05 4.70 0.00 8.89 -4.23 -1.26 -5.00 115.64 118.79 1bw5 s THR 8 Ca 0.20 0.55 0.13 0.00 -1.18 0.00 0.00 61.69 61.40 1bw5 s THR 8 Cb 0.30 -3.84 0.22 0.00 1.34 0.00 0.00 72.50 70.52 1bw5 s THR 8 CO -0.20 -0.98 1.05 1.33 -0.54 0.00 0.00 174.62 175.28 1bw5 n VAL 9 N -2.55 0.00 -2.68 2.29 0.24 -1.26 -5.05 118.33 109.32 1bw5 n VAL 9 Ca 0.04 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 1bw5 n VAL 9 Cb 0.55 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 1bw5 n VAL 9 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1bw5 s LEU 10 N 0.00 3.67 0.46 1.34 2.01 -1.26 -5.02 118.68 119.89 1bw5 s LEU 10 Ca 0.17 -0.16 0.03 0.00 0.01 0.00 0.00 54.13 54.18 1bw5 s LEU 10 Cb 0.20 -2.95 0.01 0.00 0.01 0.00 0.00 46.19 43.45 1bw5 s LEU 10 CO -0.09 -1.44 0.65 0.54 1.01 0.00 0.00 176.35 177.03 1bw5 s ASN 11 N 3.04 5.64 0.57 2.29 4.22 -1.26 -4.86 114.94 124.59 1bw5 s ASN 11 Ca 0.37 -0.01 0.37 0.00 -2.14 0.00 0.00 52.86 51.44 1bw5 s ASN 11 Cb -0.10 -1.11 1.43 0.00 1.28 0.00 0.00 41.25 42.75 1bw5 s ASN 11 CO 0.21 -0.81 1.62 -0.08 -2.04 0.00 0.00 177.10 176.00 1bw5 h GLU 12 N 0.42 0.00 0.15 3.55 4.22 -1.99 -2.14 114.58 118.78 1bw5 h GLU 12 Ca -0.44 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.00 1bw5 h GLU 12 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1bw5 h GLU 12 CO 0.53 0.00 -0.07 0.87 -2.18 0.00 0.00 179.01 178.16 1bw5 h LYS 13 N 0.00 -0.19 -0.68 1.92 1.79 -1.99 -2.94 116.57 114.46 1bw5 h LYS 13 Ca 0.60 0.01 0.13 0.00 -2.18 0.00 0.00 60.65 59.21 1bw5 h LYS 13 Cb 2.72 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 33.37 1bw5 h LYS 13 CO -0.01 -0.13 0.46 1.96 -1.08 0.00 0.00 179.45 180.65 1bw5 h GLN 14 N -0.33 0.38 -0.34 3.15 4.20 -1.84 -1.47 115.11 118.86 1bw5 h GLN 14 Ca -0.02 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1bw5 h GLN 14 Cb 0.15 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1bw5 h GLN 14 CO 0.03 0.25 0.06 -0.07 -0.67 0.00 0.00 178.83 178.44 1bw5 h LEU 15 N 0.40 -0.01 -0.63 1.46 -0.00 -1.45 -2.25 115.31 112.82 1bw5 h LEU 15 Ca 0.33 0.06 0.13 0.00 -0.00 0.00 0.00 57.88 58.39 1bw5 h LEU 15 Cb 0.74 0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 41.38 1bw5 h LEU 15 CO -0.10 0.03 0.11 -0.74 -0.00 0.00 0.00 178.44 177.75 1bw5 h HIS 16 N 0.17 0.17 0.03 1.13 2.76 -1.07 -1.67 115.15 116.67 1bw5 h HIS 16 Ca 0.16 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1bw5 h HIS 16 Cb 0.19 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1bw5 h HIS 16 CO -0.19 -0.07 -0.07 1.15 -1.30 0.00 0.00 177.93 177.45 1bw5 h THR 17 N 0.23 0.00 -0.94 6.26 2.02 -1.42 -2.52 112.91 116.55 1bw5 h THR 17 Ca 0.34 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.74 1bw5 h THR 17 Cb 0.53 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 1bw5 h THR 17 CO -0.45 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 175.99 1bw5 h LEU 18 N -0.11 0.43 -1.14 2.58 3.38 -1.45 -2.24 115.31 116.75 1bw5 h LEU 18 Ca -0.00 0.05 0.39 0.00 0.09 0.00 0.00 57.88 58.40 1bw5 h LEU 18 Cb 0.11 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 40.68 1bw5 h LEU 18 CO -0.03 0.15 0.65 -0.09 0.09 0.00 0.00 178.44 179.22 1bw5 h ARG 19 N 0.42 0.15 -0.19 1.13 1.12 -0.84 0.81 114.38 116.97 1bw5 h ARG 19 Ca 0.50 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 59.23 1bw5 h ARG 19 Cb 1.24 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.16 1bw5 h ARG 19 CO -0.20 0.10 -0.42 1.79 -3.11 0.00 0.00 179.97 178.12 1bw5 h THR 20 N 0.15 1.31 0.14 0.20 1.35 -1.49 -3.24 112.91 111.33 1bw5 h THR 20 Ca 0.79 -1.59 0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1bw5 h THR 20 Cb 2.13 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 70.15 1bw5 h THR 20 CO -0.59 0.49 -0.20 0.00 -0.25 0.00 0.00 175.52 174.97 1bw5 h TYR 22 N -0.40 1.03 0.00 0.00 3.20 -1.57 0.50 116.97 119.73 1bw5 h TYR 22 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1bw5 h TYR 22 Cb 0.41 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1bw5 h TYR 22 CO -0.18 0.19 0.22 0.00 -1.64 0.00 0.00 178.16 176.75 1bw5 h ALA 23 N 1.66 1.20 0.06 1.82 0.00 -1.38 -1.71 119.26 120.91 1bw5 h ALA 23 Ca 0.58 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 55.12 1bw5 h ALA 23 Cb 0.95 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1bw5 h ALA 23 CO -0.40 -0.20 -2.21 0.00 0.00 0.00 0.00 179.25 176.43 1bw5 n ALA 24 N -1.85 1.15 -3.63 0.00 0.00 0.17 -5.00 120.51 111.35 1bw5 n ALA 24 Ca -0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 53.44 52.46 1bw5 n ALA 24 Cb 0.26 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 1bw5 n ALA 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1bw5 s ASN 25 N -6.82 -0.72 0.00 0.00 -0.87 -0.64 -5.01 114.94 100.87 1bw5 s ASN 25 Ca -0.29 1.31 0.19 0.00 -1.57 0.00 0.00 52.86 52.50 1bw5 s ASN 25 Cb 0.08 1.32 0.84 0.00 -0.02 0.00 0.00 41.25 43.47 1bw5 s ASN 25 CO 0.67 -0.22 1.60 -0.81 -2.57 0.00 0.00 177.10 175.77 1bw5 n PRO 26 N 3.00 0.05 -3.41 -0.60 -0.04 -1.25 -4.27 135.00 128.48 1bw5 n PRO 26 Ca -0.15 0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1bw5 n PRO 26 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 1bw5 n PRO 26 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1bw5 s ARG 27 N -2.92 0.29 0.97 0.54 3.03 -1.26 -5.01 118.95 114.59 1bw5 s ARG 27 Ca 0.11 0.20 -0.15 0.00 2.03 0.00 0.00 55.73 57.92 1bw5 s ARG 27 Cb 0.12 -0.77 0.21 0.00 -1.03 0.00 0.00 34.95 33.49 1bw5 s ARG 27 CO 0.34 -0.78 1.32 -1.25 -1.13 0.00 0.00 175.30 173.79 1bw5 s PRO 28 N 2.42 0.51 0.00 3.89 0.04 -1.26 -5.09 135.00 135.50 1bw5 s PRO 28 Ca 0.10 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1bw5 s PRO 28 Cb -0.15 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1bw5 s PRO 28 CO -0.20 -2.47 0.00 -0.40 0.04 0.00 0.00 177.00 173.96 1bw5 n ASP 29 N -3.77 0.00 -0.53 6.66 5.68 -1.26 -4.97 116.55 118.36 1bw5 n ASP 29 Ca 0.16 -0.16 0.43 0.00 -0.50 0.00 0.00 54.79 54.73 1bw5 n ASP 29 Cb 0.59 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.28 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bw5 n ALA 30 N -3.00 1.48 -1.00 2.12 0.00 -1.26 0.23 120.51 119.08 1bw5 n ALA 30 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 53.44 54.25 1bw5 n ALA 30 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1bw5 n ALA 30 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bw5 n LEU 31 N -4.50 0.65 0.31 0.00 7.99 -1.26 -3.60 117.00 116.58 1bw5 n LEU 31 Ca 0.41 0.34 0.19 0.00 -0.01 0.00 0.00 56.01 56.94 1bw5 n LEU 31 Cb 1.66 0.00 1.06 0.00 -0.11 0.00 0.00 43.42 46.04 1bw5 n LEU 31 CO 0.24 0.00 1.16 0.24 -1.51 0.00 0.00 177.39 177.52 1bw5 h MET 32 N 0.00 0.00 -0.75 3.23 2.86 -1.86 -2.95 114.93 115.46 1bw5 h MET 32 Ca 0.00 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 1bw5 h MET 32 Cb 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.52 1bw5 h MET 32 CO 0.00 0.00 -0.10 0.87 1.06 0.00 0.00 176.91 178.74 1bw5 h LYS 33 N 0.00 0.04 0.66 1.72 1.79 -0.28 1.20 116.57 121.70 1bw5 h LYS 33 Ca 0.01 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1bw5 h LYS 33 Cb 0.07 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1bw5 h LYS 33 CO -0.00 0.03 -0.32 1.49 -1.08 0.00 0.00 179.45 179.57 1bw5 h GLU 34 N 0.04 -0.86 -0.74 3.15 4.81 -1.62 -3.10 114.58 116.27 1bw5 h GLU 34 Ca 0.39 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1bw5 h GLU 34 Cb 0.64 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 1bw5 h GLU 34 CO -0.72 -0.57 0.49 0.37 -0.73 0.00 0.00 179.01 177.85 1bw5 h GLN 35 N -0.91 0.92 -0.72 1.92 4.15 -1.57 -2.79 115.11 116.10 1bw5 h GLN 35 Ca -0.09 -0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.41 1bw5 h GLN 35 Cb 0.68 -0.21 -0.14 0.00 0.21 0.00 0.00 27.48 28.03 1bw5 h GLN 35 CO 0.15 0.61 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.33 1bw5 h LEU 36 N 0.94 -0.92 -0.49 -2.39 -0.00 0.15 0.33 115.31 112.93 1bw5 h LEU 36 Ca 0.29 0.24 0.06 0.00 -0.00 0.00 0.00 57.88 58.46 1bw5 h LEU 36 Cb -0.02 0.53 -0.05 0.00 -0.00 0.00 0.00 40.66 41.12 1bw5 h LEU 36 CO -0.07 -0.27 0.19 0.58 -0.00 0.00 0.00 178.44 178.86 1bw5 h VAL 37 N -0.05 0.85 -0.35 1.22 2.07 -1.46 -1.56 116.25 116.97 1bw5 h VAL 37 Ca 0.32 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.79 1bw5 h VAL 37 Cb 0.56 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1bw5 h VAL 37 CO -0.77 0.07 0.24 -0.08 0.02 0.00 0.00 177.57 177.06 1bw5 h GLU 38 N 0.37 0.09 0.54 1.57 4.81 -0.43 1.26 114.58 122.80 1bw5 h GLU 38 Ca 0.23 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1bw5 h GLU 38 Cb 0.23 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1bw5 h GLU 38 CO -0.22 0.06 -0.26 1.98 -0.73 0.00 0.00 179.01 179.84 1bw5 h MET 39 N 0.10 -0.69 -0.18 1.92 4.05 -0.28 -3.34 114.93 116.50 1bw5 h MET 39 Ca 0.16 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1bw5 h MET 39 Cb 0.52 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1bw5 h MET 39 CO -0.02 -0.46 0.00 -2.37 0.23 0.00 0.00 176.91 174.29 1bw5 n THR 40 N -4.18 0.27 -1.07 -0.77 5.66 -1.18 -4.94 114.28 108.07 1bw5 n THR 40 Ca -0.09 -0.64 -0.02 0.00 -3.05 0.00 0.00 64.05 60.25 1bw5 n THR 40 Cb 0.28 1.17 -0.01 0.00 -1.55 0.00 0.00 70.33 70.22 1bw5 n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bw5 n GLY 41 N 1.16 0.25 3.84 1.09 0.00 0.43 -4.94 105.19 107.02 1bw5 n GLY 41 Ca 0.14 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1bw5 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bw5 s LEU 42 N -0.55 3.07 1.08 0.99 2.34 -1.24 -5.00 118.68 119.36 1bw5 s LEU 42 Ca 0.00 1.44 -0.13 0.00 0.06 0.00 0.00 54.13 55.50 1bw5 s LEU 42 Cb 0.00 -4.34 0.23 0.00 -0.56 0.00 0.00 46.19 41.52 1bw5 s LEU 42 CO 0.00 -1.29 1.07 -0.94 -1.06 0.00 0.00 176.35 174.13 1bw5 s SER 43 N -4.02 1.89 0.37 1.48 1.04 -1.26 -4.72 113.70 108.48 1bw5 s SER 43 Ca 0.57 1.24 0.20 0.00 0.48 0.00 0.00 55.95 58.44 1bw5 s SER 43 Cb -0.13 -1.94 0.51 0.00 0.10 0.00 0.00 66.02 64.57 1bw5 s SER 43 CO 0.54 -3.60 1.65 1.55 0.98 0.00 0.00 173.24 174.36 1bw5 h PRO 44 N -2.21 0.00 0.70 4.02 0.13 -1.98 -3.31 132.00 129.35 1bw5 h PRO 44 Ca -0.57 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 1bw5 h PRO 44 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1bw5 h PRO 44 CO 0.55 0.34 -0.44 -0.09 -0.23 0.00 0.00 178.00 178.13 1bw5 h ARG 45 N 0.00 -1.04 -0.30 0.86 9.65 -2.02 -2.77 114.38 118.76 1bw5 h ARG 45 Ca -0.00 0.07 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 1bw5 h ARG 45 Cb 1.04 0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 1bw5 h ARG 45 CO 0.04 -0.69 0.21 0.28 2.80 0.00 0.00 179.97 182.61 1bw5 h VAL 46 N -1.07 0.97 0.12 0.20 2.07 -1.96 -2.71 116.25 113.87 1bw5 h VAL 46 Ca -0.09 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1bw5 h VAL 46 Cb 0.87 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1bw5 h VAL 46 CO 0.08 0.04 -0.32 0.40 0.02 0.00 0.00 177.57 177.80 1bw5 h ILE 47 N 0.23 0.32 0.66 4.57 1.08 -1.58 -0.50 117.51 122.29 1bw5 h ILE 47 Ca 0.13 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.57 1bw5 h ILE 47 Cb 0.23 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 1bw5 h ILE 47 CO -0.02 0.00 -0.51 -0.09 -0.69 0.00 0.00 178.15 176.84 1bw5 h ARG 48 N -0.55 -1.08 -0.75 2.37 9.65 -1.41 -2.92 114.38 119.70 1bw5 h ARG 48 Ca 0.03 0.07 0.05 0.00 -1.10 0.00 0.00 59.98 59.03 1bw5 h ARG 48 Cb 0.57 0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 29.36 1bw5 h ARG 48 CO -0.19 -0.72 0.49 -0.24 2.80 0.00 0.00 179.97 182.11 1bw5 h VAL 49 N -1.13 1.07 0.35 0.20 3.04 -1.51 -2.87 116.25 115.40 1bw5 h VAL 49 Ca -0.09 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1bw5 h VAL 49 Cb 0.93 0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 30.33 1bw5 h VAL 49 CO 0.03 0.15 -0.50 -0.25 -1.01 0.00 0.00 177.57 175.99 1bw5 h TRP 50 N 0.85 -1.40 -1.00 3.17 7.01 -0.89 -2.20 115.95 121.49 1bw5 h TRP 50 Ca 0.31 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.49 1bw5 h TRP 50 Cb 0.15 0.56 -0.10 0.00 -2.10 0.00 0.00 29.16 27.68 1bw5 h TRP 50 CO -0.00 -0.62 0.62 0.74 -2.79 0.00 0.00 178.44 176.39 1bw5 h PHE 51 N -0.88 1.08 0.00 2.65 0.04 -1.41 -2.70 116.94 115.72 1bw5 h PHE 51 Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1bw5 h PHE 51 Cb 0.80 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1bw5 h PHE 51 CO -0.32 0.33 0.00 0.94 -0.60 0.00 0.00 178.31 178.66 1bw5 n GLN 52 N -4.69 0.00 -0.35 1.51 -0.06 -0.84 -2.01 117.38 110.95 1bw5 n GLN 52 Ca 0.21 0.60 0.15 0.00 -2.00 0.00 0.00 57.00 55.96 1bw5 n GLN 52 Cb 0.48 -1.31 0.35 0.00 -4.06 0.00 0.00 30.24 25.69 1bw5 n GLN 52 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 1bw5 h ASN 53 N 0.00 0.74 -0.93 1.69 7.08 -1.49 -1.22 115.58 121.46 1bw5 h ASN 53 Ca 0.00 0.11 0.27 0.00 -3.08 0.00 0.00 56.30 53.60 1bw5 h ASN 53 Cb 0.00 -0.02 -0.15 0.00 -2.08 0.00 0.00 38.32 36.07 1bw5 h ASN 53 CO 0.00 0.22 0.30 0.50 -2.08 0.00 0.00 177.43 176.37 1bw5 h LYS 54 N 0.70 0.19 0.00 4.14 3.11 -1.06 0.68 116.57 124.33 1bw5 h LYS 54 Ca 0.60 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.43 1bw5 h LYS 54 Cb 1.01 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1bw5 h LYS 54 CO -0.40 0.12 0.00 0.54 -2.81 0.00 0.00 179.45 176.90 1bw5 n ARG 55 N -5.22 0.00 0.02 1.90 1.74 -0.46 -0.85 116.66 113.78 1bw5 n ARG 55 Ca 0.25 0.43 0.15 0.00 -0.77 0.00 0.00 57.85 57.91 1bw5 n ARG 55 Cb 0.80 -1.29 0.62 0.00 -1.02 0.00 0.00 32.46 31.57 1bw5 n ARG 55 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bw5 h LYS 57 N 0.13 0.12 0.20 0.00 1.79 -0.64 -3.31 116.57 114.87 1bw5 h LYS 57 Ca 0.21 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1bw5 h LYS 57 Cb 0.67 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1bw5 h LYS 57 CO -0.03 0.23 -0.10 0.22 -1.08 0.00 0.00 179.45 178.70 1bw5 h ASP 58 N -0.01 -0.23 -5.67 0.86 1.82 -0.18 -3.41 116.42 109.59 1bw5 h ASP 58 Ca 0.03 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.65 1bw5 h ASP 58 Cb 0.15 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1bw5 h ASP 58 CO -0.00 -0.11 -0.05 1.17 -1.61 0.00 0.00 179.24 178.64 1bw5 n LYS 59 N -3.01 -1.00 -3.92 0.28 0.00 -0.73 0.13 118.16 109.92 1bw5 n LYS 59 Ca -0.03 -0.12 -0.30 0.00 0.00 0.00 0.00 58.31 57.85 1bw5 n LYS 59 Cb 0.11 0.06 -0.00 0.00 0.00 0.00 0.00 35.03 35.19 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1bw5 n LYS 60 N -1.17 -2.11 0.00 1.64 5.02 -1.26 -4.96 118.16 115.32 1bw5 n LYS 60 Ca -0.01 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1bw5 n LYS 60 Cb 0.03 -4.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.96 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1bw5 n ARG 61 N -4.44 3.93 -3.52 1.97 0.63 0.36 -4.82 116.66 110.77 1bw5 n ARG 61 Ca -0.22 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.45 1bw5 n ARG 61 Cb 0.64 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.60 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1bw5 n SER 62 N 0.00 -5.76 -4.56 6.15 2.88 -1.26 -4.81 113.62 106.26 1bw5 n SER 62 Ca 0.00 -0.53 -0.22 0.00 -1.33 0.00 0.00 58.87 56.80 1bw5 n SER 62 Cb 0.00 -4.59 -0.06 0.00 -0.75 0.00 0.00 64.21 58.82 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1bw5 s ILE 63 N -3.25 3.13 -0.87 2.46 1.01 -1.26 -4.86 121.20 117.56 1bw5 s ILE 63 Ca 0.53 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.86 1bw5 s ILE 63 Cb -0.24 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1bw5 s ILE 63 CO 0.65 -0.29 1.67 0.00 0.00 0.00 0.00 174.94 176.97 1bw5 s MET 64 N 8.24 3.01 -0.38 2.79 0.23 -1.26 -4.95 119.30 126.98 1bw5 s MET 64 Ca 0.87 -0.42 -0.20 0.00 -1.03 0.00 0.00 55.69 54.91 1bw5 s MET 64 Cb -0.12 -4.92 0.01 0.00 -1.53 0.00 0.00 34.83 28.26 1bw5 s MET 64 CO 0.10 -2.70 0.58 0.00 -2.03 0.00 0.00 175.02 170.97 1bw5 s MET 65 N 6.15 3.51 0.00 3.16 0.23 -1.26 -5.32 119.30 125.77 1bw5 s MET 65 Ca 0.56 -0.19 0.00 0.00 -1.03 0.00 0.00 55.69 55.03 1bw5 s MET 65 Cb -0.06 -3.86 0.00 0.00 -1.53 0.00 0.00 34.83 29.39 1bw5 s MET 65 CO 0.02 -0.79 0.00 1.17 -2.03 0.00 0.00 175.02 173.39