#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 -1.43 0.00 2.12 4.81 -1.26 -4.68 118.16 117.72 1bw5 n LYS 2 Ca 0.00 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1bw5 n LYS 2 Cb 0.00 -4.92 0.00 0.00 0.02 0.00 0.00 35.03 30.13 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1bw5 n THR 3 N -2.03 0.00 -3.76 3.15 -2.24 -1.26 -5.10 114.28 103.05 1bw5 n THR 3 Ca -0.12 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.32 1bw5 n THR 3 Cb 0.41 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 1bw5 n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bw5 s THR 4 N -0.07 5.30 0.00 4.28 -4.23 -1.26 -5.09 115.64 114.57 1bw5 s THR 4 Ca 0.00 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1bw5 s THR 4 Cb 0.00 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1bw5 s THR 4 CO 0.00 0.35 0.00 0.54 -0.54 0.00 0.00 174.62 174.97 1bw5 n ARG 5 N 1.08 0.82 -3.63 3.99 1.74 -1.26 -4.29 116.66 115.11 1bw5 n ARG 5 Ca -0.11 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.61 1bw5 n ARG 5 Cb 0.53 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.91 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bw5 s VAL 6 N -0.08 5.18 0.00 1.55 1.01 -1.26 -4.95 120.40 121.85 1bw5 s VAL 6 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1bw5 s VAL 6 Cb 0.00 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.82 1bw5 s VAL 6 CO 0.00 0.49 0.98 0.54 0.00 0.00 0.00 175.10 177.12 1bw5 n ARG 7 N 1.55 0.00 -2.95 2.72 1.74 -1.26 -5.13 116.66 113.33 1bw5 n ARG 7 Ca -0.13 -1.05 -0.30 0.00 -0.77 0.00 0.00 57.85 55.60 1bw5 n ARG 7 Cb 0.53 0.39 -0.04 0.00 -1.02 0.00 0.00 32.46 32.33 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1bw5 s THR 8 N 0.00 4.80 0.00 0.55 -4.23 -1.26 -4.99 115.64 110.51 1bw5 s THR 8 Ca 0.04 0.59 0.06 0.00 -1.18 0.00 0.00 61.69 61.20 1bw5 s THR 8 Cb 0.05 -3.72 0.10 0.00 1.34 0.00 0.00 72.50 70.26 1bw5 s THR 8 CO -0.02 -0.45 1.02 1.33 -0.54 0.00 0.00 174.62 175.96 1bw5 n VAL 9 N -1.13 0.00 -2.71 2.29 0.24 -1.26 -5.05 118.33 110.72 1bw5 n VAL 9 Ca 0.02 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.34 61.67 1bw5 n VAL 9 Cb 0.54 0.60 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 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 3.77 0.54 1.34 2.01 -1.26 -5.01 118.68 120.07 1bw5 s LEU 10 Ca 0.08 -0.00 0.03 0.00 0.01 0.00 0.00 54.13 54.24 1bw5 s LEU 10 Cb 0.09 -3.10 0.04 0.00 0.01 0.00 0.00 46.19 43.23 1bw5 s LEU 10 CO -0.04 -1.31 0.75 0.54 1.01 0.00 0.00 176.35 177.31 1bw5 s ASN 11 N 2.76 5.26 0.59 2.29 2.20 -1.26 -4.79 114.94 121.99 1bw5 s ASN 11 Ca 0.38 -0.18 0.31 0.00 -0.94 0.00 0.00 52.86 52.43 1bw5 s ASN 11 Cb -0.09 -0.68 1.28 0.00 -2.00 0.00 0.00 41.25 39.76 1bw5 s ASN 11 CO 0.24 -1.14 1.61 -0.33 -2.94 0.00 0.00 177.10 174.54 1bw5 h GLU 12 N 0.14 0.00 0.00 3.55 5.08 -1.98 -0.06 114.58 121.31 1bw5 h GLU 12 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1bw5 h GLU 12 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1bw5 h GLU 12 CO 0.49 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 1bw5 n LYS 13 N -3.57 0.00 0.09 2.33 5.02 -1.26 -2.94 118.16 117.82 1bw5 n LYS 13 Ca 0.19 0.14 0.14 0.00 -2.02 0.00 0.00 58.31 56.77 1bw5 n LYS 13 Cb 1.20 -0.95 0.64 0.00 -0.02 0.00 0.00 35.03 35.91 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 0.06 -0.38 1.97 4.20 -1.88 -2.29 115.11 116.79 1bw5 h GLN 14 Ca 0.00 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1bw5 h GLN 14 Cb 0.00 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.69 1bw5 h GLN 14 CO 0.00 0.04 -0.15 -0.07 -0.67 0.00 0.00 178.83 177.97 1bw5 h LEU 15 N 0.06 -0.53 -1.17 1.46 -0.00 -1.09 -1.35 115.31 112.69 1bw5 h LEU 15 Ca 0.16 0.14 0.32 0.00 -0.00 0.00 0.00 57.88 58.50 1bw5 h LEU 15 Cb 0.57 0.31 -0.13 0.00 -0.00 0.00 0.00 40.66 41.40 1bw5 h LEU 15 CO -0.01 -0.19 0.65 -0.74 -0.00 0.00 0.00 178.44 178.15 1bw5 h HIS 16 N -0.08 0.80 0.20 1.13 2.76 -1.29 -1.70 115.15 116.97 1bw5 h HIS 16 Ca 0.19 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1bw5 h HIS 16 Cb 0.37 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1bw5 h HIS 16 CO -0.39 -0.10 -0.09 1.15 -1.30 0.00 0.00 177.93 177.19 1bw5 h THR 17 N 0.32 0.00 -1.00 6.26 2.02 -1.38 -3.05 112.91 116.08 1bw5 h THR 17 Ca 0.71 -0.02 0.24 0.00 0.77 0.00 0.00 66.41 68.11 1bw5 h THR 17 Cb 1.77 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.09 1bw5 h THR 17 CO -0.48 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 175.98 1bw5 h LEU 18 N -0.28 0.49 -0.84 2.58 3.38 -1.53 -1.43 115.31 117.69 1bw5 h LEU 18 Ca -0.03 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.23 1bw5 h LEU 18 Cb 0.20 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.81 1bw5 h LEU 18 CO 0.04 0.14 0.19 0.03 0.09 0.00 0.00 178.44 178.93 1bw5 h ARG 19 N 0.46 0.19 -0.29 1.13 3.08 -1.20 0.14 114.38 117.88 1bw5 h ARG 19 Ca 0.56 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.48 1bw5 h ARG 19 Cb 1.33 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 1bw5 h ARG 19 CO -0.28 0.13 -0.32 1.79 -1.07 0.00 0.00 179.97 180.22 1bw5 h THR 20 N 0.20 1.28 0.25 2.04 1.35 -1.26 -2.99 112.91 113.78 1bw5 h THR 20 Ca 0.51 -1.44 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 1bw5 h THR 20 Cb 0.99 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1bw5 h THR 20 CO -0.64 0.46 -0.12 0.00 -0.25 0.00 0.00 175.52 174.97 1bw5 h TYR 22 N -0.37 -0.16 -1.00 0.00 3.20 -1.56 0.47 116.97 117.55 1bw5 h TYR 22 Ca -0.03 0.05 0.26 0.00 3.14 0.00 0.00 58.73 62.14 1bw5 h TYR 22 Cb 0.26 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 1bw5 h TYR 22 CO 0.14 -0.19 0.67 0.00 -1.64 0.00 0.00 178.16 177.14 1bw5 h ALA 23 N 1.54 2.44 0.00 1.82 0.00 -1.59 -1.25 119.26 122.22 1bw5 h ALA 23 Ca 0.29 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1bw5 h ALA 23 Cb 0.45 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1bw5 h ALA 23 CO -0.53 -0.78 -2.01 0.00 0.00 0.00 0.00 179.25 175.93 1bw5 n ALA 24 N -2.56 2.14 -3.15 0.00 0.00 0.07 -4.89 120.51 112.12 1bw5 n ALA 24 Ca 0.23 -0.83 0.04 0.00 0.00 0.00 0.00 53.44 52.88 1bw5 n ALA 24 Cb 0.89 -0.58 -0.00 0.00 0.00 0.00 0.00 19.45 19.76 1bw5 n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw5 s ASN 25 N -5.15 -1.55 -0.00 0.00 2.20 0.14 -5.01 114.94 105.58 1bw5 s ASN 25 Ca -0.08 0.30 0.00 0.00 -0.94 0.00 0.00 52.86 52.15 1bw5 s ASN 25 Cb 0.10 2.03 0.00 0.00 -2.00 0.00 0.00 41.25 41.39 1bw5 s ASN 25 CO 0.86 -0.29 0.98 -0.81 -2.94 0.00 0.00 177.10 174.91 1bw5 n PRO 26 N 5.41 1.01 -2.97 3.55 -0.04 -1.17 -4.03 135.00 136.76 1bw5 n PRO 26 Ca 0.04 -0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 1bw5 n PRO 26 Cb 0.54 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.47 0.59 -2.13 0.54 1.74 -1.26 -5.09 116.66 111.51 1bw5 n ARG 27 Ca 0.00 -2.41 -0.27 0.00 -0.77 0.00 0.00 57.85 54.40 1bw5 n ARG 27 Cb 0.50 -1.45 0.10 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.22 1.83 0.00 5.56 0.04 -1.26 -5.09 135.00 136.29 1bw5 s PRO 28 Ca 0.32 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1bw5 s PRO 28 Cb 0.12 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1bw5 s PRO 28 CO -0.16 -1.54 0.00 -0.25 0.04 0.00 0.00 177.00 175.10 1bw5 n ASP 29 N -3.14 0.00 -0.16 6.66 8.00 -1.26 -5.00 116.55 121.66 1bw5 n ASP 29 Ca 0.10 -0.43 0.29 0.00 0.71 0.00 0.00 54.79 55.46 1bw5 n ASP 29 Cb 0.60 0.00 0.69 0.00 -0.02 0.00 0.00 41.12 42.39 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw5 h ALA 30 N 1.91 2.75 -3.00 2.24 0.00 -1.98 -0.68 119.26 120.50 1bw5 h ALA 30 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bw5 h ALA 30 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bw5 h ALA 30 CO 0.00 -1.25 0.00 1.28 0.00 0.00 0.00 179.25 179.28 1bw5 n LEU 31 N -3.83 0.70 -0.01 0.00 4.77 -1.26 -3.67 117.00 113.70 1bw5 n LEU 31 Ca 0.19 0.33 0.03 0.00 -0.03 0.00 0.00 56.01 56.53 1bw5 n LEU 31 Cb 1.09 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.56 1bw5 n LEU 31 CO 0.33 0.00 1.10 0.24 -1.33 0.00 0.00 177.39 177.73 1bw5 h MET 32 N 0.00 0.56 -0.97 3.23 2.86 -1.96 -2.96 114.93 115.70 1bw5 h MET 32 Ca 0.00 -0.06 0.32 0.00 -2.06 0.00 0.00 59.70 57.90 1bw5 h MET 32 Cb 0.00 -0.11 -0.16 0.00 0.06 0.00 0.00 31.60 31.39 1bw5 h MET 32 CO 0.00 0.43 0.42 -0.22 1.06 0.00 0.00 176.91 178.60 1bw5 h LYS 33 N 0.57 0.19 0.45 1.72 3.64 -1.25 0.16 116.57 122.05 1bw5 h LYS 33 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1bw5 h LYS 33 Cb 0.04 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1bw5 h LYS 33 CO -0.02 0.12 -0.22 1.49 -2.27 0.00 0.00 179.45 178.55 1bw5 h GLU 34 N 0.19 -0.59 -0.68 1.90 4.57 -1.59 -3.00 114.58 115.39 1bw5 h GLU 34 Ca 0.70 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.91 1bw5 h GLU 34 Cb 1.61 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 30.30 1bw5 h GLU 34 CO -0.69 -0.35 0.39 1.96 -1.18 0.00 0.00 179.01 179.15 1bw5 h GLN 35 N -0.69 0.93 -0.96 1.92 4.20 -1.18 -2.59 115.11 116.74 1bw5 h GLN 35 Ca -0.06 -0.09 0.27 0.00 0.06 0.00 0.00 58.65 58.82 1bw5 h GLN 35 Cb 0.51 -0.19 -0.14 0.00 0.30 0.00 0.00 27.48 27.96 1bw5 h GLN 35 CO 0.10 0.67 0.48 -0.07 -0.67 0.00 0.00 178.83 179.35 1bw5 h LEU 36 N 0.92 0.43 0.07 1.46 -0.00 -0.68 0.14 115.31 117.65 1bw5 h LEU 36 Ca 0.24 0.17 0.01 0.00 -0.00 0.00 0.00 57.88 58.30 1bw5 h LEU 36 Cb -0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1bw5 h LEU 36 CO -0.04 -0.05 -0.10 0.58 -0.00 0.00 0.00 178.44 178.83 1bw5 h VAL 37 N 0.38 0.77 0.00 1.22 2.07 -1.33 -2.30 116.25 117.06 1bw5 h VAL 37 Ca 0.64 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.15 1bw5 h VAL 37 Cb 1.34 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1bw5 h VAL 37 CO -0.57 0.00 -0.07 -0.08 0.02 0.00 0.00 177.57 176.87 1bw5 h GLU 38 N -0.20 0.00 0.80 1.57 4.57 -0.82 0.99 114.58 121.50 1bw5 h GLU 38 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1bw5 h GLU 38 Cb 0.21 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1bw5 h GLU 38 CO -0.05 0.07 -0.38 1.98 -1.18 0.00 0.00 179.01 179.45 1bw5 h MET 39 N 0.00 -1.03 -0.01 1.92 4.05 -0.68 -3.27 114.93 115.91 1bw5 h MET 39 Ca -0.00 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1bw5 h MET 39 Cb 0.13 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1bw5 h MET 39 CO 0.01 -0.68 -0.51 -2.37 0.23 0.00 0.00 176.91 173.59 1bw5 n THR 40 N -5.52 0.00 -0.92 -0.77 5.66 -1.18 -4.93 114.28 106.62 1bw5 n THR 40 Ca -0.14 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1bw5 n THR 40 Cb 0.43 1.11 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 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 1.42 0.17 3.83 1.09 0.00 0.34 -4.96 105.19 107.09 1bw5 n GLY 41 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 3.27 0.79 0.99 2.34 -1.23 -4.97 118.68 119.87 1bw5 s LEU 42 Ca 0.00 1.59 -0.11 0.00 0.06 0.00 0.00 54.13 55.68 1bw5 s LEU 42 Cb 0.00 -4.50 0.07 0.00 -0.56 0.00 0.00 46.19 41.20 1bw5 s LEU 42 CO 0.00 -1.15 1.09 -0.94 -1.06 0.00 0.00 176.35 174.29 1bw5 s SER 43 N -3.65 4.33 0.45 1.48 1.04 -1.26 -4.75 113.70 111.34 1bw5 s SER 43 Ca 0.58 1.81 0.23 0.00 0.48 0.00 0.00 55.95 59.05 1bw5 s SER 43 Cb -0.13 -2.49 1.02 0.00 0.10 0.00 0.00 66.02 64.52 1bw5 s SER 43 CO 0.49 -2.14 1.89 1.55 0.98 0.00 0.00 173.24 176.01 1bw5 h PRO 44 N -1.20 0.00 -0.23 4.02 0.13 -1.97 -3.21 132.00 129.53 1bw5 h PRO 44 Ca -0.44 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1bw5 h PRO 44 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 1bw5 h PRO 44 CO 0.51 0.24 -0.26 0.00 -0.23 0.00 0.00 178.00 178.27 1bw5 h ARG 45 N 0.00 -0.26 -0.70 0.86 3.08 -2.02 -1.71 114.38 113.63 1bw5 h ARG 45 Ca -0.00 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1bw5 h ARG 45 Cb 0.63 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1bw5 h ARG 45 CO 0.03 -0.17 0.28 0.28 -1.07 0.00 0.00 179.97 179.32 1bw5 h VAL 46 N -0.27 1.24 0.36 2.04 2.07 -1.94 -3.18 116.25 116.56 1bw5 h VAL 46 Ca 0.13 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1bw5 h VAL 46 Cb 0.47 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1bw5 h VAL 46 CO -0.39 0.30 -0.46 0.40 0.02 0.00 0.00 177.57 177.44 1bw5 h ILE 47 N 1.01 0.09 -0.15 4.57 1.08 -1.41 -1.76 117.51 120.94 1bw5 h ILE 47 Ca 0.24 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.74 1bw5 h ILE 47 Cb 0.19 0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 33.96 1bw5 h ILE 47 CO -0.02 0.00 -0.53 -0.09 -0.69 0.00 0.00 178.15 176.81 1bw5 h ARG 48 N -0.86 -0.54 -0.25 2.37 2.43 -1.42 -1.50 114.38 114.60 1bw5 h ARG 48 Ca -0.03 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1bw5 h ARG 48 Cb 0.78 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1bw5 h ARG 48 CO -0.12 -0.36 0.18 -0.24 -1.51 0.00 0.00 179.97 177.91 1bw5 h VAL 49 N -0.56 0.92 0.36 0.20 3.04 -1.56 -3.17 116.25 115.47 1bw5 h VAL 49 Ca 0.04 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.69 1bw5 h VAL 49 Cb 0.67 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 1bw5 h VAL 49 CO -0.45 0.01 -0.29 -0.25 -1.01 0.00 0.00 177.57 175.59 1bw5 h TRP 50 N 0.08 -0.79 -0.50 3.17 7.01 -0.33 -2.65 115.95 121.94 1bw5 h TRP 50 Ca 0.11 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.22 1bw5 h TRP 50 Cb 0.36 0.30 -0.09 0.00 -2.10 0.00 0.00 29.16 27.63 1bw5 h TRP 50 CO -0.00 -0.40 -0.07 0.74 -2.79 0.00 0.00 178.44 175.92 1bw5 h PHE 51 N -0.63 -0.16 -0.05 2.65 0.04 -1.55 -2.64 116.94 114.60 1bw5 h PHE 51 Ca -0.05 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1bw5 h PHE 51 Cb 0.52 0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1bw5 h PHE 51 CO -0.11 -0.18 -0.18 0.37 -0.60 0.00 0.00 178.31 177.62 1bw5 h GLN 52 N 0.05 -0.18 -0.64 1.51 5.75 -1.56 -2.43 115.11 117.61 1bw5 h GLN 52 Ca 0.25 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.90 1bw5 h GLN 52 Cb 0.38 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.86 1bw5 h GLN 52 CO -0.48 -0.12 -0.04 -0.91 -2.65 0.00 0.00 178.83 174.63 1bw5 h ASN 53 N -0.19 -0.37 -0.54 -0.69 2.35 -1.32 -1.71 115.58 113.12 1bw5 h ASN 53 Ca 0.01 0.17 0.11 0.00 -0.55 0.00 0.00 56.30 56.04 1bw5 h ASN 53 Cb 0.22 0.31 -0.10 0.00 0.05 0.00 0.00 38.32 38.80 1bw5 h ASN 53 CO -0.14 -0.15 -0.14 0.50 -1.65 0.00 0.00 177.43 175.85 1bw5 h LYS 54 N 0.08 -0.00 -0.33 0.81 1.63 -1.10 -1.97 116.57 115.70 1bw5 h LYS 54 Ca 0.33 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.20 1bw5 h LYS 54 Cb 0.54 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.10 1bw5 h LYS 54 CO -0.58 -0.00 -0.13 -0.09 -3.45 0.00 0.00 179.45 175.20 1bw5 h ARG 55 N -0.00 -0.07 0.64 1.90 2.43 -0.85 0.58 114.38 119.01 1bw5 h ARG 55 Ca 0.26 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1bw5 h ARG 55 Cb 0.40 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1bw5 h ARG 55 CO -0.56 -0.05 -0.41 0.00 -1.51 0.00 0.00 179.97 177.44 1bw5 h LYS 57 N -0.99 0.06 -5.76 0.00 5.09 -1.36 -3.41 116.57 110.19 1bw5 h LYS 57 Ca -0.09 -0.01 -0.51 0.00 0.09 0.00 0.00 60.65 60.13 1bw5 h LYS 57 Cb 0.80 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.13 1bw5 h LYS 57 CO 0.08 0.27 1.58 0.34 -2.09 0.00 0.00 179.45 179.62 1bw5 s ASP 58 N -6.96 4.83 0.00 7.07 2.15 0.20 -4.19 116.67 119.76 1bw5 s ASP 58 Ca -0.04 1.37 0.00 0.00 0.43 0.00 0.00 52.55 54.31 1bw5 s ASP 58 Cb 0.15 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1bw5 s ASP 58 CO 0.71 -2.53 0.00 1.17 -0.17 0.00 0.00 175.17 174.35 1bw5 n LYS 59 N 8.92 0.00 -0.05 4.34 3.00 -1.26 -4.91 118.16 128.20 1bw5 n LYS 59 Ca 0.34 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.77 1bw5 n LYS 59 Cb 0.51 0.00 0.45 0.00 0.00 0.00 0.00 35.03 35.99 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1bw5 n LYS 60 N -1.71 1.66 -1.13 1.64 4.81 -1.26 -4.05 118.16 118.12 1bw5 n LYS 60 Ca 0.00 -0.98 -0.19 0.00 -0.87 0.00 0.00 58.31 56.27 1bw5 n LYS 60 Cb 0.00 -1.42 0.19 0.00 0.02 0.00 0.00 35.03 33.82 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1bw5 n ARG 61 N 0.19 2.22 -1.81 1.64 3.00 -1.26 -4.95 116.66 115.69 1bw5 n ARG 61 Ca 0.17 -3.05 -0.38 0.00 -0.00 0.00 0.00 57.85 54.59 1bw5 n ARG 61 Cb 0.32 -2.10 -0.03 0.00 0.00 0.00 0.00 32.46 30.65 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bw5 s SER 62 N -1.56 4.96 -0.29 6.15 0.15 -1.26 -4.91 113.70 116.95 1bw5 s SER 62 Ca 0.54 0.80 -0.29 0.00 0.70 0.00 0.00 55.95 57.71 1bw5 s SER 62 Cb 0.46 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1bw5 s SER 62 CO 0.09 -2.53 1.51 -0.63 1.20 0.00 0.00 173.24 172.88 1bw5 s ILE 63 N 10.23 3.84 0.00 6.45 -1.09 -1.26 -4.73 121.20 134.64 1bw5 s ILE 63 Ca 0.83 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1bw5 s ILE 63 Cb -0.16 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1bw5 s ILE 63 CO 0.25 -0.44 0.00 0.80 -1.23 0.00 0.00 174.94 174.31 1bw5 n MET 64 N 7.72 0.00 -2.81 2.79 1.56 -1.26 -4.95 117.12 120.16 1bw5 n MET 64 Ca 0.18 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.47 1bw5 n MET 64 Cb 0.46 -0.18 0.01 0.00 2.15 0.00 0.00 33.22 35.66 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1bw5 n MET 65 N -2.68 1.33 0.00 2.12 2.81 -1.26 -5.35 117.12 114.09 1bw5 n MET 65 Ca 0.00 -3.44 0.03 0.00 -1.81 0.00 0.00 57.70 52.48 1bw5 n MET 65 Cb 0.18 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.23 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65