#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 3.85 -0.26 2.12 2.20 -1.26 -5.02 119.74 121.37 1bw5 s LYS 2 Ca 0.00 0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 1bw5 s LYS 2 Cb 0.00 -3.80 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1bw5 s LYS 2 CO 0.00 -0.93 -0.04 0.95 -0.36 0.00 0.00 175.35 174.96 1bw5 s THR 3 N 3.45 2.92 -0.40 3.43 -4.23 -1.26 -5.05 115.64 114.49 1bw5 s THR 3 Ca 0.38 -1.10 -0.41 0.00 -1.18 0.00 0.00 61.69 59.37 1bw5 s THR 3 Cb -0.12 -2.53 -0.16 0.00 1.34 0.00 0.00 72.50 71.02 1bw5 s THR 3 CO 0.18 0.12 1.93 1.07 -0.54 0.00 0.00 174.62 177.39 1bw5 n THR 4 N 4.66 0.13 -1.88 3.99 5.66 -1.26 -4.89 114.28 120.69 1bw5 n THR 4 Ca -0.16 -0.07 -0.32 0.00 -3.05 0.00 0.00 64.05 60.45 1bw5 n THR 4 Cb 0.46 -0.97 0.02 0.00 -1.55 0.00 0.00 70.33 68.29 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1bw5 s ARG 5 N 4.77 3.30 -0.82 1.09 0.52 -1.26 -4.96 118.95 121.58 1bw5 s ARG 5 Ca 1.09 1.01 -0.24 0.00 -0.52 0.00 0.00 55.73 57.06 1bw5 s ARG 5 Cb -1.23 -2.04 0.05 0.00 0.52 0.00 0.00 34.95 32.25 1bw5 s ARG 5 CO 0.65 -0.81 1.26 0.08 0.02 0.00 0.00 175.30 176.50 1bw5 s VAL 6 N -2.81 3.97 -0.34 3.52 1.01 -1.26 -4.81 120.40 119.68 1bw5 s VAL 6 Ca 0.59 -0.24 0.16 0.00 0.00 0.00 0.00 61.98 62.49 1bw5 s VAL 6 Cb -0.14 -4.91 0.43 0.00 0.00 0.00 0.00 36.38 31.76 1bw5 s VAL 6 CO 0.46 -1.78 0.91 -1.14 0.00 0.00 0.00 175.10 173.55 1bw5 n ARG 7 N 8.69 1.10 -0.76 2.72 0.00 -1.26 -5.12 116.66 122.04 1bw5 n ARG 7 Ca 0.12 -3.21 -0.32 0.00 -0.00 0.00 0.00 57.85 54.45 1bw5 n ARG 7 Cb 0.49 -1.31 0.14 0.00 0.00 0.00 0.00 32.46 31.79 1bw5 n ARG 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1bw5 n THR 8 N 0.01 0.10 -2.22 5.15 -1.04 -1.26 -4.96 114.28 110.06 1bw5 n THR 8 Ca 0.12 -0.11 0.01 0.00 -2.04 0.00 0.00 64.05 62.04 1bw5 n THR 8 Cb 0.78 -0.82 -0.00 0.00 -1.82 0.00 0.00 70.33 68.47 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 -3.88 0.00 -2.75 12.58 0.24 -1.26 -5.11 118.33 118.15 1bw5 n VAL 9 Ca 0.09 -0.43 -0.32 0.00 -2.04 0.00 0.00 64.34 61.65 1bw5 n VAL 9 Cb 0.53 0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 33.51 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 3.82 0.00 1.34 2.01 -1.26 -5.06 118.68 119.53 1bw5 s LEU 10 Ca 0.15 1.39 0.00 0.00 0.01 0.00 0.00 54.13 55.67 1bw5 s LEU 10 Cb 0.17 -4.27 0.00 0.00 0.01 0.00 0.00 46.19 42.10 1bw5 s LEU 10 CO -0.07 -0.42 0.00 -0.46 1.01 0.00 0.00 176.35 176.41 1bw5 n ASN 11 N -1.12 0.00 0.07 2.29 6.94 -1.26 -5.01 115.26 117.17 1bw5 n ASN 11 Ca 0.05 -0.50 0.06 0.00 -0.02 0.00 0.00 54.58 54.16 1bw5 n ASN 11 Cb 0.54 0.00 0.49 0.00 -2.36 0.00 0.00 39.78 38.45 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1bw5 h GLU 12 N 0.00 0.37 0.00 -3.83 4.81 -1.99 -2.50 114.58 111.45 1bw5 h GLU 12 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1bw5 h GLU 12 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1bw5 h GLU 12 CO 0.00 0.25 0.00 1.17 -0.73 0.00 0.00 179.01 179.70 1bw5 n LYS 13 N -4.49 0.00 -0.17 1.92 4.81 -1.26 -3.21 118.16 115.75 1bw5 n LYS 13 Ca 0.02 0.39 -0.06 0.00 -0.87 0.00 0.00 58.31 57.78 1bw5 n LYS 13 Cb 0.09 -1.15 0.03 0.00 0.02 0.00 0.00 35.03 34.02 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1bw5 h GLN 14 N 0.00 0.64 -0.59 1.64 4.20 -1.98 -2.97 115.11 116.05 1bw5 h GLN 14 Ca 0.00 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.78 1bw5 h GLN 14 Cb 0.00 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.55 1bw5 h GLN 14 CO 0.00 0.43 0.14 1.25 -0.67 0.00 0.00 178.83 179.98 1bw5 h LEU 15 N 0.66 0.04 -0.45 1.46 7.12 -1.62 -2.18 115.31 120.35 1bw5 h LEU 15 Ca 0.20 0.10 0.07 0.00 0.13 0.00 0.00 57.88 58.38 1bw5 h LEU 15 Cb -0.04 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.17 1bw5 h LEU 15 CO -0.06 0.03 0.12 -0.74 -0.13 0.00 0.00 178.44 177.66 1bw5 h HIS 16 N 0.28 0.20 0.13 1.25 2.76 -1.49 -2.01 115.15 116.27 1bw5 h HIS 16 Ca 0.31 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1bw5 h HIS 16 Cb 0.44 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 1bw5 h HIS 16 CO -0.23 0.04 -0.18 1.15 -1.30 0.00 0.00 177.93 177.41 1bw5 h THR 17 N 0.26 0.00 -1.00 6.26 2.02 -1.43 -2.04 112.91 116.98 1bw5 h THR 17 Ca 0.22 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.68 1bw5 h THR 17 Cb 0.26 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 1bw5 h THR 17 CO -0.26 0.00 0.71 -0.07 0.37 0.00 0.00 175.52 176.26 1bw5 h LEU 18 N -0.32 0.09 -0.51 2.58 3.38 -1.45 -2.53 115.31 116.56 1bw5 h LEU 18 Ca -0.02 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1bw5 h LEU 18 Cb 0.29 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 1bw5 h LEU 18 CO -0.05 0.02 -0.20 -0.09 0.09 0.00 0.00 178.44 178.22 1bw5 h ARG 19 N 0.09 -0.08 0.00 1.13 2.43 -0.59 0.16 114.38 117.51 1bw5 h ARG 19 Ca 0.49 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.63 1bw5 h ARG 19 Cb 1.80 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1bw5 h ARG 19 CO -0.06 -0.05 -0.19 0.00 -1.51 0.00 0.00 179.97 178.16 1bw5 h THR 20 N -0.08 0.89 0.19 0.20 1.03 -1.52 -3.09 112.91 110.53 1bw5 h THR 20 Ca 0.24 -0.71 -0.01 0.00 -0.01 0.00 0.00 66.41 65.92 1bw5 h THR 20 Cb 0.45 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 1bw5 h THR 20 CO -0.57 0.19 -0.09 0.00 -0.01 0.00 0.00 175.52 175.04 1bw5 h TYR 22 N -0.29 0.79 -0.46 0.00 3.20 -1.59 1.90 116.97 120.52 1bw5 h TYR 22 Ca -0.03 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1bw5 h TYR 22 Cb 0.19 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1bw5 h TYR 22 CO 0.15 0.09 0.19 0.00 -1.64 0.00 0.00 178.16 176.96 1bw5 h ALA 23 N 1.65 0.57 -0.48 1.82 0.00 -1.49 -2.61 119.26 118.72 1bw5 h ALA 23 Ca 0.59 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1bw5 h ALA 23 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1bw5 h ALA 23 CO -0.34 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.73 1bw5 n ALA 24 N -2.36 2.26 -2.73 0.00 0.00 0.29 -4.76 120.51 113.21 1bw5 n ALA 24 Ca 0.04 -1.19 -0.05 0.00 0.00 0.00 0.00 53.44 52.24 1bw5 n ALA 24 Cb 0.16 -0.62 0.03 0.00 0.00 0.00 0.00 19.45 19.02 1bw5 n ALA 24 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bw5 n ASN 25 N 0.94 -2.70 0.00 0.00 5.15 0.62 -5.00 115.26 114.28 1bw5 n ASN 25 Ca 0.16 -2.50 0.09 0.00 -0.60 0.00 0.00 54.58 51.74 1bw5 n ASN 25 Cb 0.50 1.46 0.54 0.00 -0.53 0.00 0.00 39.78 41.74 1bw5 n ASN 25 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1bw5 n PRO 26 N 2.41 0.69 -3.32 1.20 -0.04 -1.07 -3.70 135.00 131.16 1bw5 n PRO 26 Ca 0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 1bw5 n PRO 26 Cb 0.61 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 1bw5 n PRO 26 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1bw5 s ARG 27 N -2.00 0.72 0.87 0.54 3.00 -1.26 -5.04 118.95 115.78 1bw5 s ARG 27 Ca 0.27 -1.13 -0.13 0.00 0.00 0.00 0.00 55.73 54.74 1bw5 s ARG 27 Cb 0.12 -0.83 0.20 0.00 0.00 0.00 0.00 34.95 34.45 1bw5 s ARG 27 CO 0.21 -1.24 1.19 -0.35 0.00 0.00 0.00 175.30 175.10 1bw5 n PRO 28 N 3.88 -1.03 -1.54 3.54 -0.04 -1.26 -5.10 135.00 133.45 1bw5 n PRO 28 Ca 0.15 -2.00 -0.01 0.00 -0.04 0.00 0.00 63.50 61.60 1bw5 n PRO 28 Cb 0.46 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1bw5 n PRO 28 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bw5 n ASP 29 N -3.66 -0.28 -0.48 3.54 5.75 -1.26 -4.99 116.55 115.17 1bw5 n ASP 29 Ca 0.15 -1.17 0.43 0.00 -0.01 0.00 0.00 54.79 54.19 1bw5 n ASP 29 Cb 0.54 0.46 0.74 0.00 -1.03 0.00 0.00 41.12 41.82 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bw5 h ALA 30 N 2.00 3.44 -3.00 2.12 0.00 -1.99 0.88 119.26 122.71 1bw5 h ALA 30 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bw5 h ALA 30 Cb 0.16 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bw5 h ALA 30 CO 0.05 -1.98 0.00 1.28 0.00 0.00 0.00 179.25 178.60 1bw5 n LEU 31 N -3.87 0.28 0.32 0.00 7.99 -1.26 -3.59 117.00 116.87 1bw5 n LEU 31 Ca 0.34 0.29 0.20 0.00 -0.01 0.00 0.00 56.01 56.83 1bw5 n LEU 31 Cb 1.66 0.00 1.11 0.00 -0.11 0.00 0.00 43.42 46.08 1bw5 n LEU 31 CO 0.39 0.00 1.16 0.24 -1.51 0.00 0.00 177.39 177.67 1bw5 h MET 32 N 0.00 0.00 -0.64 3.23 2.86 -1.91 -2.99 114.93 115.49 1bw5 h MET 32 Ca 0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 1bw5 h MET 32 Cb 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.56 1bw5 h MET 32 CO 0.00 0.00 0.05 -0.22 1.06 0.00 0.00 176.91 177.81 1bw5 h LYS 33 N 0.00 0.16 0.03 1.72 1.63 -0.88 0.44 116.57 119.66 1bw5 h LYS 33 Ca -0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1bw5 h LYS 33 Cb 0.03 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1bw5 h LYS 33 CO 0.00 0.11 -0.02 0.93 -3.45 0.00 0.00 179.45 177.02 1bw5 h GLU 34 N 0.16 -0.04 -0.51 1.90 4.39 -1.59 -2.95 114.58 115.95 1bw5 h GLU 34 Ca 0.34 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 1bw5 h GLU 34 Cb 0.55 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1bw5 h GLU 34 CO -0.51 0.19 0.21 0.37 -1.16 0.00 0.00 179.01 178.11 1bw5 h GLN 35 N -0.27 0.73 -0.99 2.33 5.75 -1.49 -2.57 115.11 118.60 1bw5 h GLN 35 Ca -0.00 -0.10 0.22 0.00 -0.15 0.00 0.00 58.65 58.61 1bw5 h GLN 35 Cb 0.25 -0.13 -0.10 0.00 1.07 0.00 0.00 27.48 28.57 1bw5 h GLN 35 CO 0.01 0.60 0.62 -0.07 -2.65 0.00 0.00 178.83 177.34 1bw5 h LEU 36 N 0.72 0.63 -0.51 -2.39 -0.00 0.02 -0.52 115.31 113.26 1bw5 h LEU 36 Ca 0.18 0.09 0.03 0.00 -0.00 0.00 0.00 57.88 58.18 1bw5 h LEU 36 Cb 0.14 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.74 1bw5 h LEU 36 CO -0.02 0.20 0.28 0.58 -0.00 0.00 0.00 178.44 179.48 1bw5 h VAL 37 N 0.59 1.01 -0.26 1.22 2.07 -1.45 -2.62 116.25 116.82 1bw5 h VAL 37 Ca 0.57 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.82 1bw5 h VAL 37 Cb 1.12 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1bw5 h VAL 37 CO -0.33 0.10 -0.18 -0.08 0.02 0.00 0.00 177.57 177.10 1bw5 h GLU 38 N 0.55 0.45 -0.43 1.57 4.57 -1.23 1.22 114.58 121.30 1bw5 h GLU 38 Ca 0.21 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1bw5 h GLU 38 Cb 0.07 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1bw5 h GLU 38 CO -0.12 0.62 0.16 0.52 -1.18 0.00 0.00 179.01 179.01 1bw5 h MET 39 N 0.41 0.61 0.00 1.92 2.86 -1.16 -3.28 114.93 116.29 1bw5 h MET 39 Ca 0.07 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1bw5 h MET 39 Cb 0.56 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1bw5 h MET 39 CO 0.04 0.52 -1.49 -2.37 1.06 0.00 0.00 176.91 174.66 1bw5 n THR 40 N -4.36 0.48 -0.02 2.22 5.66 -1.17 -4.99 114.28 112.09 1bw5 n THR 40 Ca 0.03 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1bw5 n THR 40 Cb 0.16 -0.79 0.00 0.00 -1.55 0.00 0.00 70.33 68.14 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 2.55 1.16 3.91 1.09 0.00 0.42 -5.04 105.19 109.28 1bw5 n GLY 41 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 0.86 0.99 2.34 -1.24 -4.95 118.68 119.33 1bw5 s LEU 42 Ca 0.00 0.74 -0.11 0.00 0.06 0.00 0.00 54.13 54.82 1bw5 s LEU 42 Cb 0.00 -3.32 0.11 0.00 -0.56 0.00 0.00 46.19 42.42 1bw5 s LEU 42 CO 0.00 -1.73 1.09 -0.94 -1.06 0.00 0.00 176.35 173.72 1bw5 s SER 43 N -4.53 3.75 0.42 1.48 1.04 -1.26 -4.65 113.70 109.95 1bw5 s SER 43 Ca 0.61 1.66 0.23 0.00 0.48 0.00 0.00 55.95 58.93 1bw5 s SER 43 Cb -0.11 -2.33 0.51 0.00 0.10 0.00 0.00 66.02 64.19 1bw5 s SER 43 CO 0.48 -2.49 1.66 1.55 0.98 0.00 0.00 173.24 175.42 1bw5 h PRO 44 N -1.45 0.00 -0.33 4.02 0.13 -1.96 -3.30 132.00 129.12 1bw5 h PRO 44 Ca -0.47 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1bw5 h PRO 44 Cb 1.26 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1bw5 h PRO 44 CO 0.52 0.15 -0.22 0.00 -0.23 0.00 0.00 178.00 178.22 1bw5 h ARG 45 N 0.00 -0.18 -0.46 0.86 3.08 -2.00 -2.16 114.38 113.52 1bw5 h ARG 45 Ca -0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1bw5 h ARG 45 Cb 0.98 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 1bw5 h ARG 45 CO 0.02 -0.12 0.26 0.28 -1.07 0.00 0.00 179.97 179.34 1bw5 h VAL 46 N -0.18 1.02 -0.52 2.04 2.07 -1.96 -2.42 116.25 116.30 1bw5 h VAL 46 Ca 0.17 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1bw5 h VAL 46 Cb 0.44 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1bw5 h VAL 46 CO -0.44 0.10 0.34 0.40 0.02 0.00 0.00 177.57 177.99 1bw5 h ILE 47 N 0.52 1.06 -0.03 4.57 2.04 -1.58 -2.94 117.51 121.15 1bw5 h ILE 47 Ca 0.19 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1bw5 h ILE 47 Cb 0.04 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1bw5 h ILE 47 CO -0.10 0.11 -0.20 -0.09 0.00 0.00 0.00 178.15 177.87 1bw5 h ARG 48 N 0.60 -0.22 0.00 2.37 1.12 -0.89 -1.66 114.38 115.71 1bw5 h ARG 48 Ca 0.21 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.08 1bw5 h ARG 48 Cb 0.08 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.09 1bw5 h ARG 48 CO -0.05 -0.14 -0.06 -0.24 -3.11 0.00 0.00 179.97 176.37 1bw5 h VAL 49 N -0.22 0.30 0.26 0.20 3.04 -1.67 -3.23 116.25 114.91 1bw5 h VAL 49 Ca 0.01 -0.36 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1bw5 h VAL 49 Cb 0.25 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1bw5 h VAL 49 CO -0.15 0.06 -0.34 -0.25 -1.01 0.00 0.00 177.57 175.87 1bw5 h TRP 50 N 0.00 -0.97 -0.57 3.17 7.01 -1.11 -1.56 115.95 121.92 1bw5 h TRP 50 Ca -0.00 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.12 1bw5 h TRP 50 Cb 0.26 0.39 -0.09 0.00 -2.10 0.00 0.00 29.16 27.63 1bw5 h TRP 50 CO 0.00 -0.44 0.09 0.74 -2.79 0.00 0.00 178.44 176.04 1bw5 h PHE 51 N -0.62 0.13 0.03 2.65 0.04 -1.56 -2.17 116.94 115.45 1bw5 h PHE 51 Ca -0.03 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1bw5 h PHE 51 Cb 0.56 0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 1bw5 h PHE 51 CO -0.26 -0.06 -0.27 0.37 -0.60 0.00 0.00 178.31 177.49 1bw5 h GLN 52 N 0.21 -0.35 -0.69 1.51 5.75 -1.57 -2.67 115.11 117.30 1bw5 h GLN 52 Ca 0.30 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.93 1bw5 h GLN 52 Cb 0.45 0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.00 1bw5 h GLN 52 CO -0.41 -0.24 0.29 -0.91 -2.65 0.00 0.00 178.83 174.91 1bw5 h ASN 53 N -0.37 0.31 -0.85 -0.69 2.35 -1.09 -2.59 115.58 112.65 1bw5 h ASN 53 Ca 0.00 0.08 0.22 0.00 -0.55 0.00 0.00 56.30 56.05 1bw5 h ASN 53 Cb 0.38 0.04 -0.14 0.00 0.05 0.00 0.00 38.32 38.65 1bw5 h ASN 53 CO -0.16 0.16 0.13 0.50 -1.65 0.00 0.00 177.43 176.41 1bw5 h LYS 54 N 0.48 0.14 0.13 0.81 3.64 -1.04 -1.98 116.57 118.74 1bw5 h LYS 54 Ca 0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1bw5 h LYS 54 Cb 0.45 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1bw5 h LYS 54 CO -0.33 0.09 -0.35 -0.09 -2.27 0.00 0.00 179.45 176.51 1bw5 h ARG 55 N 0.15 -0.51 -0.55 1.90 1.12 -1.36 0.18 114.38 115.30 1bw5 h ARG 55 Ca 0.51 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.44 1bw5 h ARG 55 Cb 0.99 0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 31.03 1bw5 h ARG 55 CO -0.69 -0.34 0.33 0.00 -3.11 0.00 0.00 179.97 176.15 1bw5 h LYS 57 N 0.65 1.03 -3.26 0.00 3.64 -1.20 -3.21 116.57 114.21 1bw5 h LYS 57 Ca 0.23 -0.14 -0.26 0.00 -1.27 0.00 0.00 60.65 59.21 1bw5 h LYS 57 Cb 0.04 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1bw5 h LYS 57 CO -0.11 0.79 1.78 -0.25 -2.27 0.00 0.00 179.45 179.39 1bw5 n ASP 58 N -4.44 3.77 -0.05 4.20 9.92 0.61 -4.56 116.55 126.00 1bw5 n ASP 58 Ca 0.06 -2.19 -0.10 0.00 -0.53 0.00 0.00 54.79 52.03 1bw5 n ASP 58 Cb 0.11 -0.92 -0.03 0.00 -0.64 0.00 0.00 41.12 39.64 1bw5 n ASP 58 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1bw5 h LYS 59 N 6.05 0.29 -0.02 -1.24 3.64 -1.73 -2.76 116.57 120.80 1bw5 h LYS 59 Ca 0.34 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1bw5 h LYS 59 Cb 0.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1bw5 h LYS 59 CO 1.12 0.24 -0.11 0.36 -2.27 0.00 0.00 179.45 178.79 1bw5 n LYS 60 N -4.91 1.65 -0.84 1.90 2.85 -1.26 -4.11 118.16 113.44 1bw5 n LYS 60 Ca -0.03 -1.16 0.07 0.00 -1.05 0.00 0.00 58.31 56.14 1bw5 n LYS 60 Cb 0.05 -1.48 0.39 0.00 -0.65 0.00 0.00 35.03 33.35 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1bw5 n ARG 61 N 0.34 4.65 -0.00 -1.58 1.74 -1.04 -4.24 116.66 116.52 1bw5 n ARG 61 Ca 0.15 -3.03 -0.02 0.00 -0.77 0.00 0.00 57.85 54.18 1bw5 n ARG 61 Cb 0.44 -2.20 -0.11 0.00 -1.02 0.00 0.00 32.46 29.57 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1bw5 n SER 62 N 0.68 0.63 -4.18 0.55 2.88 -1.21 -4.69 113.62 108.28 1bw5 n SER 62 Ca 0.27 0.28 -0.40 0.00 -1.33 0.00 0.00 58.87 57.69 1bw5 n SER 62 Cb 1.13 0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 64.98 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 -2.87 4.32 -0.23 2.46 1.01 -1.26 -5.05 121.20 119.58 1bw5 s ILE 63 Ca -0.05 -2.60 -0.06 0.00 0.00 0.00 0.00 60.65 57.95 1bw5 s ILE 63 Cb 0.09 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1bw5 s ILE 63 CO 0.83 -0.90 0.01 -0.32 0.00 0.00 0.00 174.94 174.56 1bw5 s MET 64 N 0.28 3.52 -0.39 2.79 1.75 -1.26 -5.07 119.30 120.91 1bw5 s MET 64 Ca 0.15 -0.55 -0.14 0.00 -1.25 0.00 0.00 55.69 53.90 1bw5 s MET 64 Cb -0.19 -3.16 0.01 0.00 2.84 0.00 0.00 34.83 34.33 1bw5 s MET 64 CO -0.04 -0.18 0.28 1.41 -0.65 0.00 0.00 175.02 175.84 1bw5 s MET 65 N 1.52 3.07 0.00 4.11 1.75 -1.26 -5.25 119.30 123.23 1bw5 s MET 65 Ca 0.06 -0.95 0.17 0.00 -1.25 0.00 0.00 55.69 53.72 1bw5 s MET 65 Cb -0.15 -3.94 1.02 0.00 2.84 0.00 0.00 34.83 34.61 1bw5 s MET 65 CO 0.00 -0.69 1.43 1.63 -0.65 0.00 0.00 175.02 176.74