#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw5 n LYS 2 N 0.00 -2.03 0.00 2.12 4.76 -1.26 -4.88 118.16 116.87 1bw5 n LYS 2 Ca 0.00 1.56 0.00 0.00 -2.87 0.00 0.00 58.31 57.00 1bw5 n LYS 2 Cb 0.00 -2.60 0.00 0.00 -1.84 0.00 0.00 35.03 30.59 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1bw5 n THR 3 N -3.58 0.00 -3.89 -0.18 -1.04 -1.26 -4.65 114.28 99.69 1bw5 n THR 3 Ca -0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.62 1bw5 n THR 3 Cb 0.57 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.00 1bw5 n THR 3 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1bw5 s THR 4 N 0.00 5.29 0.58 12.58 -4.23 -1.26 -5.10 115.64 123.50 1bw5 s THR 4 Ca 0.00 0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1bw5 s THR 4 Cb 0.00 -3.34 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 1bw5 s THR 4 CO 0.00 0.54 0.91 -0.13 -0.54 0.00 0.00 174.62 175.40 1bw5 s ARG 5 N -0.40 3.15 -0.59 3.99 1.81 -1.26 -4.91 118.95 120.75 1bw5 s ARG 5 Ca 0.11 0.18 -0.30 0.00 -1.72 0.00 0.00 55.73 54.00 1bw5 s ARG 5 Cb -0.12 -2.25 -0.12 0.00 -0.45 0.00 0.00 34.95 32.01 1bw5 s ARG 5 CO 0.01 -0.59 2.43 1.55 -0.68 0.00 0.00 175.30 178.02 1bw5 n VAL 6 N -2.56 0.03 -1.02 3.52 3.14 -1.26 -4.74 118.33 115.43 1bw5 n VAL 6 Ca 0.04 -0.42 0.06 0.00 -2.96 0.00 0.00 64.34 61.06 1bw5 n VAL 6 Cb 0.56 -1.83 0.29 0.00 -1.06 0.00 0.00 33.84 31.81 1bw5 n VAL 6 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1bw5 n ARG 7 N 8.63 3.31 0.00 1.45 1.74 -1.26 -4.98 116.66 125.55 1bw5 n ARG 7 Ca 0.46 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 1bw5 n ARG 7 Cb 0.31 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1bw5 n ARG 7 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1bw5 n THR 8 N -0.31 0.00 -1.30 0.55 -1.04 -1.26 -5.06 114.28 105.86 1bw5 n THR 8 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1bw5 n THR 8 Cb 1.01 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1bw5 n THR 8 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1bw5 n VAL 9 N 0.00 0.00 -2.69 12.58 0.24 -1.26 -5.08 118.33 122.11 1bw5 n VAL 9 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1bw5 n VAL 9 Cb 0.00 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 1bw5 n VAL 9 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1bw5 s LEU 10 N 0.00 4.34 0.00 1.34 1.98 -1.26 -4.98 118.68 120.10 1bw5 s LEU 10 Ca 0.00 1.64 0.00 0.00 -2.89 0.00 0.00 54.13 52.88 1bw5 s LEU 10 Cb 0.00 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.28 1bw5 s LEU 10 CO 0.00 -0.31 0.00 -0.46 -1.89 0.00 0.00 176.35 173.69 1bw5 n ASN 11 N 4.16 0.00 0.29 3.68 6.94 -1.26 -4.98 115.26 124.08 1bw5 n ASN 11 Ca 0.07 -0.50 0.10 0.00 -0.02 0.00 0.00 54.58 54.23 1bw5 n ASN 11 Cb 0.50 0.00 0.55 0.00 -2.36 0.00 0.00 39.78 38.47 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 5.08 -1.98 -2.57 114.58 111.28 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1bw5 n LYS 13 N -2.59 0.00 -0.06 2.33 5.02 -1.26 -3.63 118.16 117.98 1bw5 n LYS 13 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1bw5 n LYS 13 Cb 0.48 -0.38 0.28 0.00 -0.02 0.00 0.00 35.03 35.39 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1bw5 h GLN 14 N 0.00 0.66 -0.14 1.97 4.20 -1.94 -3.11 115.11 116.75 1bw5 h GLN 14 Ca 0.00 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.64 1bw5 h GLN 14 Cb 0.00 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 1bw5 h GLN 14 CO 0.00 0.59 -0.18 1.25 -0.67 0.00 0.00 178.83 179.82 1bw5 h LEU 15 N 0.65 -0.57 -0.83 1.46 7.12 -1.66 -2.10 115.31 119.37 1bw5 h LEU 15 Ca 0.15 0.10 0.15 0.00 0.13 0.00 0.00 57.88 58.41 1bw5 h LEU 15 Cb 0.22 0.27 -0.10 0.00 -0.53 0.00 0.00 40.66 40.52 1bw5 h LEU 15 CO -0.01 -0.23 0.41 -0.74 -0.13 0.00 0.00 178.44 177.75 1bw5 h HIS 16 N -0.22 0.72 0.51 1.25 2.76 -1.60 -2.64 115.15 115.92 1bw5 h HIS 16 Ca 0.10 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1bw5 h HIS 16 Cb 0.37 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1bw5 h HIS 16 CO -0.30 0.15 -0.26 1.15 -1.30 0.00 0.00 177.93 177.37 1bw5 h THR 17 N 0.58 0.00 -1.37 6.26 2.02 -1.45 -2.89 112.91 116.05 1bw5 h THR 17 Ca 0.46 0.00 0.42 0.00 0.77 0.00 0.00 66.41 68.06 1bw5 h THR 17 Cb 0.67 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.98 1bw5 h THR 17 CO -0.38 0.00 0.92 -0.07 0.37 0.00 0.00 175.52 176.37 1bw5 h LEU 18 N -0.71 0.19 -1.92 2.58 3.38 -1.26 0.24 115.31 117.82 1bw5 h LEU 18 Ca -0.07 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.23 1bw5 h LEU 18 Cb 0.55 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1bw5 h LEU 18 CO 0.11 -0.08 0.62 -0.09 0.09 0.00 0.00 178.44 179.09 1bw5 h ARG 19 N 0.10 0.06 -0.43 1.13 2.43 -1.25 0.27 114.38 116.70 1bw5 h ARG 19 Ca 0.76 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.84 1bw5 h ARG 19 Cb 2.57 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 32.09 1bw5 h ARG 19 CO -0.26 0.04 -0.10 1.15 -1.51 0.00 0.00 179.97 179.29 1bw5 h THR 20 N 0.06 1.27 0.61 0.20 2.02 -0.64 -2.80 112.91 113.65 1bw5 h THR 20 Ca 0.42 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 1bw5 h THR 20 Cb 1.58 1.17 0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1bw5 h THR 20 CO -0.03 0.41 -0.30 0.00 0.37 0.00 0.00 175.52 175.97 1bw5 h TYR 22 N -0.90 -0.77 0.00 0.00 3.20 -1.54 0.58 116.97 117.54 1bw5 h TYR 22 Ca -0.08 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bw5 h TYR 22 Cb 0.63 0.45 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1bw5 h TYR 22 CO 0.07 -0.37 0.02 0.00 -1.64 0.00 0.00 178.16 176.23 1bw5 h ALA 23 N 1.41 1.01 0.05 1.82 0.00 -1.53 -2.50 119.26 119.52 1bw5 h ALA 23 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.86 1bw5 h ALA 23 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1bw5 h ALA 23 CO -0.81 -0.01 -2.22 0.00 0.00 0.00 0.00 179.25 176.21 1bw5 n ALA 24 N -1.84 1.24 -3.18 0.00 0.00 0.19 -4.90 120.51 112.02 1bw5 n ALA 24 Ca -0.02 -0.90 0.02 0.00 0.00 0.00 0.00 53.44 52.54 1bw5 n ALA 24 Cb 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1bw5 n ALA 24 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1bw5 s ASN 25 N -6.57 -1.19 0.00 0.00 3.84 -0.66 -5.01 114.94 105.35 1bw5 s ASN 25 Ca -0.25 0.46 0.00 0.00 0.21 0.00 0.00 52.86 53.29 1bw5 s ASN 25 Cb 0.08 1.94 0.00 0.00 -0.55 0.00 0.00 41.25 42.72 1bw5 s ASN 25 CO 0.71 -0.29 0.56 -0.81 -2.79 0.00 0.00 177.10 174.48 1bw5 n PRO 26 N 5.41 0.74 -3.05 0.43 -0.04 -1.18 -4.11 135.00 133.21 1bw5 n PRO 26 Ca 0.01 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.29 1bw5 n PRO 26 Cb 0.52 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1bw5 n PRO 26 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bw5 n ARG 27 N -0.19 0.65 -2.19 0.54 1.74 -1.26 -5.10 116.66 110.84 1bw5 n ARG 27 Ca 0.00 -2.68 -0.27 0.00 -0.77 0.00 0.00 57.85 54.13 1bw5 n ARG 27 Cb 0.09 -1.37 0.14 0.00 -1.02 0.00 0.00 32.46 30.30 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1bw5 s PRO 28 N -0.30 1.23 0.00 5.56 0.04 -1.26 -5.10 135.00 135.17 1bw5 s PRO 28 Ca 0.33 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1bw5 s PRO 28 Cb 0.16 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1bw5 s PRO 28 CO -0.16 -1.91 0.00 -0.40 0.04 0.00 0.00 177.00 174.57 1bw5 n ASP 29 N -3.32 0.00 -0.24 6.66 5.68 -1.26 -4.98 116.55 119.09 1bw5 n ASP 29 Ca 0.14 0.00 0.32 0.00 -0.50 0.00 0.00 54.79 54.75 1bw5 n ASP 29 Cb 0.60 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.29 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bw5 h ALA 30 N 2.00 2.93 -3.00 2.12 0.00 -1.99 0.17 119.26 121.49 1bw5 h ALA 30 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bw5 h ALA 30 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bw5 h ALA 30 CO 0.00 -1.40 0.00 -0.11 0.00 0.00 0.00 179.25 177.74 1bw5 n LEU 31 N -3.90 0.75 0.15 0.00 -0.00 -1.26 -3.26 117.00 109.49 1bw5 n LEU 31 Ca 0.22 0.28 0.13 0.00 -0.00 0.00 0.00 56.01 56.64 1bw5 n LEU 31 Cb 1.21 0.00 0.67 0.00 -0.00 0.00 0.00 43.42 45.30 1bw5 n LEU 31 CO 0.35 0.00 1.12 0.24 -0.00 0.00 0.00 177.39 179.10 1bw5 h MET 32 N 0.00 0.00 -0.98 1.96 2.86 -1.92 -1.78 114.93 115.06 1bw5 h MET 32 Ca 0.00 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 1bw5 h MET 32 Cb 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.57 1bw5 h MET 32 CO 0.00 0.00 0.62 -0.22 1.06 0.00 0.00 176.91 178.37 1bw5 h LYS 33 N 0.00 0.61 0.67 1.72 3.64 -0.75 0.10 116.57 122.56 1bw5 h LYS 33 Ca 0.11 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1bw5 h LYS 33 Cb 0.43 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1bw5 h LYS 33 CO -0.00 0.40 -0.32 1.49 -2.27 0.00 0.00 179.45 178.75 1bw5 h GLU 34 N 0.63 -0.87 -0.92 1.90 4.81 -1.30 -3.09 114.58 115.74 1bw5 h GLU 34 Ca 0.55 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.90 1bw5 h GLU 34 Cb 1.05 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 1bw5 h GLU 34 CO -0.32 -0.58 0.60 1.96 -0.73 0.00 0.00 179.01 179.94 1bw5 h GLN 35 N -1.04 1.04 -0.76 1.92 7.50 -1.57 -2.49 115.11 119.72 1bw5 h GLN 35 Ca -0.09 -0.06 0.17 0.00 0.50 0.00 0.00 58.65 59.17 1bw5 h GLN 35 Cb 0.69 -0.24 -0.13 0.00 0.05 0.00 0.00 27.48 27.85 1bw5 h GLN 35 CO 0.15 0.69 0.03 -0.07 -1.50 0.00 0.00 178.83 178.13 1bw5 h LEU 36 N 1.08 -0.31 -0.43 1.46 -0.00 -0.76 -0.61 115.31 115.74 1bw5 h LEU 36 Ca 0.39 0.19 0.09 0.00 -0.00 0.00 0.00 57.88 58.55 1bw5 h LEU 36 Cb 0.16 0.33 -0.08 0.00 -0.00 0.00 0.00 40.66 41.07 1bw5 h LEU 36 CO -0.14 -0.17 -0.08 0.58 -0.00 0.00 0.00 178.44 178.63 1bw5 h VAL 37 N 0.12 0.60 -0.09 1.22 2.07 -1.36 -1.04 116.25 117.76 1bw5 h VAL 37 Ca 0.42 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 1bw5 h VAL 37 Cb 0.74 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1bw5 h VAL 37 CO -0.65 0.00 0.01 -0.33 0.02 0.00 0.00 177.57 176.62 1bw5 h GLU 38 N 0.03 0.12 -0.51 1.57 5.08 -1.21 1.85 114.58 121.51 1bw5 h GLU 38 Ca 0.21 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1bw5 h GLU 38 Cb 0.32 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1bw5 h GLU 38 CO -0.42 0.13 -0.03 0.52 -1.00 0.00 0.00 179.01 178.20 1bw5 h MET 39 N 0.13 0.89 -0.00 2.33 2.86 -0.92 -3.32 114.93 116.89 1bw5 h MET 39 Ca 0.03 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1bw5 h MET 39 Cb 0.07 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1bw5 h MET 39 CO -0.00 0.91 -0.12 -2.37 1.06 0.00 0.00 176.91 176.38 1bw5 n THR 40 N -4.18 0.00 -0.89 2.22 5.66 -0.95 -4.99 114.28 111.14 1bw5 n THR 40 Ca 0.02 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1bw5 n THR 40 Cb 0.34 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 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 0.97 0.07 3.92 1.09 0.00 0.62 -4.96 105.19 106.91 1bw5 n GLY 41 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.66 0.74 0.99 2.34 -1.25 -5.02 118.68 119.14 1bw5 s LEU 42 Ca 0.00 0.52 -0.11 0.00 0.06 0.00 0.00 54.13 54.60 1bw5 s LEU 42 Cb 0.00 -2.95 0.04 0.00 -0.56 0.00 0.00 46.19 42.71 1bw5 s LEU 42 CO 0.00 -2.00 1.08 -0.94 -1.06 0.00 0.00 176.35 173.43 1bw5 s SER 43 N -4.64 4.98 0.47 1.48 1.04 -1.26 -4.86 113.70 110.91 1bw5 s SER 43 Ca 0.64 1.41 0.27 0.00 0.48 0.00 0.00 55.95 58.74 1bw5 s SER 43 Cb -0.09 -2.21 1.01 0.00 0.10 0.00 0.00 66.02 64.83 1bw5 s SER 43 CO 0.48 -1.67 1.86 1.55 0.98 0.00 0.00 173.24 176.44 1bw5 h PRO 44 N -0.88 0.00 -0.19 4.02 0.13 -1.98 -3.24 132.00 129.86 1bw5 h PRO 44 Ca -0.45 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 1bw5 h PRO 44 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1bw5 h PRO 44 CO 0.59 0.15 -0.23 0.00 -0.23 0.00 0.00 178.00 178.28 1bw5 h ARG 45 N 0.00 -0.25 -0.02 0.86 3.08 -2.02 -1.39 114.38 114.64 1bw5 h ARG 45 Ca -0.00 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1bw5 h ARG 45 Cb 0.70 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1bw5 h ARG 45 CO 0.02 -0.17 -0.28 0.28 -1.07 0.00 0.00 179.97 178.75 1bw5 h VAL 46 N -0.26 1.21 0.41 2.04 2.07 -1.96 -3.21 116.25 116.55 1bw5 h VAL 46 Ca 0.12 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1bw5 h VAL 46 Cb 0.45 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1bw5 h VAL 46 CO -0.35 0.29 -0.20 0.40 0.02 0.00 0.00 177.57 177.74 1bw5 h ILE 47 N 0.03 0.00 -0.33 4.57 1.08 -1.34 -2.66 117.51 118.85 1bw5 h ILE 47 Ca 0.00 -0.06 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 1bw5 h ILE 47 Cb 0.52 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.18 1bw5 h ILE 47 CO 0.04 0.00 -0.30 -0.09 -0.69 0.00 0.00 178.15 177.11 1bw5 h ARG 48 N -0.61 -0.25 -0.19 2.37 2.43 -1.51 -1.76 114.38 114.86 1bw5 h ARG 48 Ca -0.06 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1bw5 h ARG 48 Cb 0.42 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1bw5 h ARG 48 CO 0.09 -0.17 0.11 -0.24 -1.51 0.00 0.00 179.97 178.26 1bw5 h VAL 49 N -0.26 1.05 0.77 0.20 3.04 -1.64 -3.11 116.25 116.30 1bw5 h VAL 49 Ca 0.16 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.69 1bw5 h VAL 49 Cb 0.52 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1bw5 h VAL 49 CO -0.48 0.06 -0.43 -0.25 -1.01 0.00 0.00 177.57 175.45 1bw5 h TRP 50 N 0.26 -1.14 -0.83 3.17 7.01 -0.94 -2.90 115.95 120.57 1bw5 h TRP 50 Ca 0.07 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.23 1bw5 h TRP 50 Cb -0.01 0.40 -0.11 0.00 -2.10 0.00 0.00 29.16 27.34 1bw5 h TRP 50 CO 0.00 -0.66 0.36 0.74 -2.79 0.00 0.00 178.44 176.09 1bw5 h PHE 51 N -1.11 0.62 0.00 2.65 0.04 -1.53 -1.85 116.94 115.75 1bw5 h PHE 51 Ca -0.10 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1bw5 h PHE 51 Cb 0.88 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1bw5 h PHE 51 CO -0.04 0.04 0.00 0.94 -0.60 0.00 0.00 178.31 178.65 1bw5 n GLN 52 N -4.99 0.00 0.05 1.51 0.00 -1.14 -2.12 117.38 110.69 1bw5 n GLN 52 Ca 0.18 0.61 0.21 0.00 -0.00 0.00 0.00 57.00 58.00 1bw5 n GLN 52 Cb 0.51 -1.45 0.73 0.00 0.00 0.00 0.00 30.24 30.04 1bw5 n GLN 52 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1bw5 h ASN 53 N 0.00 0.00 -1.02 1.69 2.35 -1.36 -2.05 115.58 115.18 1bw5 h ASN 53 Ca 0.00 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 56.00 1bw5 h ASN 53 Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.27 1bw5 h ASN 53 CO 0.00 0.00 0.64 0.50 -1.65 0.00 0.00 177.43 176.92 1bw5 h LYS 54 N 0.00 0.47 -0.15 0.81 1.63 -0.79 -1.37 116.57 117.17 1bw5 h LYS 54 Ca 0.23 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.05 1bw5 h LYS 54 Cb 1.19 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 32.64 1bw5 h LYS 54 CO -0.00 0.31 -0.32 -0.09 -3.45 0.00 0.00 179.45 175.89 1bw5 h ARG 55 N 0.49 -0.38 -0.74 1.90 2.43 -1.45 1.09 114.38 117.72 1bw5 h ARG 55 Ca 0.61 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.82 1bw5 h ARG 55 Cb 1.36 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.96 1bw5 h ARG 55 CO -0.36 -0.25 0.49 0.00 -1.51 0.00 0.00 179.97 178.34 1bw5 h LYS 57 N 0.95 0.61 -2.00 0.00 1.63 0.03 -3.48 116.57 114.31 1bw5 h LYS 57 Ca 0.28 -0.22 0.31 0.00 -0.85 0.00 0.00 60.65 60.17 1bw5 h LYS 57 Cb -0.03 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.48 1bw5 h LYS 57 CO -0.07 0.77 0.83 0.34 -3.45 0.00 0.00 179.45 177.87 1bw5 s ASP 58 N -6.77 -0.02 0.00 4.20 2.15 0.35 -5.07 116.67 111.51 1bw5 s ASP 58 Ca -0.08 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1bw5 s ASP 58 Cb 0.14 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1bw5 s ASP 58 CO 0.81 -0.40 0.00 1.17 -0.17 0.00 0.00 175.17 176.57 1bw5 n LYS 59 N -0.75 0.00 0.00 4.34 0.00 -1.26 -3.89 118.16 116.59 1bw5 n LYS 59 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1bw5 n LYS 59 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 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 -0.86 0.00 -3.13 1.64 5.02 -1.26 -4.95 118.16 114.62 1bw5 n LYS 60 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1bw5 n LYS 60 Cb 0.00 -0.54 0.02 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.13 -2.19 -1.55 1.97 0.63 -1.26 -4.95 116.66 109.19 1bw5 n ARG 61 Ca 0.00 1.83 -0.29 0.00 -0.92 0.00 0.00 57.85 58.47 1bw5 n ARG 61 Cb 0.00 -4.05 0.13 0.00 0.45 0.00 0.00 32.46 28.99 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1bw5 s SER 62 N -2.06 3.66 -0.00 6.15 0.15 -1.26 -4.94 113.70 115.40 1bw5 s SER 62 Ca 0.29 1.00 0.13 0.00 0.70 0.00 0.00 55.95 58.07 1bw5 s SER 62 Cb -0.05 -1.59 0.37 0.00 -1.71 0.00 0.00 66.02 63.04 1bw5 s SER 62 CO 0.80 -2.46 1.30 -0.38 1.20 0.00 0.00 173.24 173.70 1bw5 n ILE 63 N -3.71 0.57 -2.05 6.45 -0.00 -1.26 -4.93 119.36 114.43 1bw5 n ILE 63 Ca 0.07 -0.56 -0.33 0.00 -0.00 0.00 0.00 62.75 61.93 1bw5 n ILE 63 Cb 0.59 0.27 0.01 0.00 -0.00 0.00 0.00 39.64 40.51 1bw5 n ILE 63 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 1bw5 s MET 64 N -1.45 3.27 -0.64 0.38 1.75 -1.26 -4.98 119.30 116.37 1bw5 s MET 64 Ca 0.28 1.28 -0.21 0.00 -1.25 0.00 0.00 55.69 55.78 1bw5 s MET 64 Cb 0.15 -2.02 0.08 0.00 2.84 0.00 0.00 34.83 35.88 1bw5 s MET 64 CO 0.19 -0.86 0.87 1.41 -0.65 0.00 0.00 175.02 175.98 1bw5 s MET 65 N -3.95 3.09 0.00 4.11 1.75 -1.26 -5.21 119.30 117.83 1bw5 s MET 65 Ca 0.65 -1.00 0.00 0.00 -1.25 0.00 0.00 55.69 54.09 1bw5 s MET 65 Cb -0.17 -4.24 0.00 0.00 2.84 0.00 0.00 34.83 33.26 1bw5 s MET 65 CO 0.35 -1.72 0.00 1.17 -0.65 0.00 0.00 175.02 174.17