#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 -1.45 0.00 2.12 5.02 -1.26 -4.89 118.16 117.71 1bw5 n LYS 2 Ca 0.00 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 1bw5 n LYS 2 Cb 0.00 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 29.56 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1bw5 n THR 3 N -2.37 0.00 -3.94 -0.18 -2.24 -1.26 -4.88 114.28 99.41 1bw5 n THR 3 Ca -0.19 0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 1bw5 n THR 3 Cb 0.62 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 1bw5 n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1bw5 s THR 4 N -0.25 5.10 1.30 4.28 2.01 -1.26 -5.09 115.64 121.73 1bw5 s THR 4 Ca 0.00 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 1bw5 s THR 4 Cb 0.00 -3.27 0.31 0.00 0.01 0.00 0.00 72.50 69.55 1bw5 s THR 4 CO 0.00 0.51 0.70 0.54 -0.69 0.00 0.00 174.62 175.69 1bw5 n ARG 5 N 2.95 -3.96 -3.90 4.92 1.74 -1.26 -4.97 116.66 112.17 1bw5 n ARG 5 Ca -0.18 -1.18 -0.36 0.00 -0.77 0.00 0.00 57.85 55.37 1bw5 n ARG 5 Cb 0.53 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bw5 s VAL 6 N -2.09 5.45 0.00 1.55 0.11 -1.26 -4.95 120.40 119.21 1bw5 s VAL 6 Ca 0.55 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 1bw5 s VAL 6 Cb -0.10 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1bw5 s VAL 6 CO 0.46 0.53 0.00 -2.11 -3.33 0.00 0.00 175.10 170.65 1bw5 n ARG 7 N 1.67 0.00 -1.71 1.54 1.85 -1.26 -5.16 116.66 113.59 1bw5 n ARG 7 Ca -0.17 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.38 1bw5 n ARG 7 Cb 0.54 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 32.04 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 0.00 2.73 0.00 8.89 -4.23 -1.26 -5.00 115.64 116.77 1bw5 s THR 8 Ca 0.00 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 1bw5 s THR 8 Cb 0.00 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1bw5 s THR 8 CO 0.00 -0.31 0.53 1.33 -0.54 0.00 0.00 174.62 175.62 1bw5 n VAL 9 N -3.37 0.00 -2.85 2.29 0.24 -1.26 -5.10 118.33 108.29 1bw5 n VAL 9 Ca 0.07 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.02 1bw5 n VAL 9 Cb 0.58 0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 33.71 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 4.19 0.00 1.34 2.01 -1.26 -5.04 118.68 119.92 1bw5 s LEU 10 Ca 0.00 1.71 0.00 0.00 0.01 0.00 0.00 54.13 55.85 1bw5 s LEU 10 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 46.19 42.05 1bw5 s LEU 10 CO 0.00 -0.16 0.00 -0.46 1.01 0.00 0.00 176.35 176.74 1bw5 n ASN 11 N 0.12 0.00 0.18 2.29 0.23 -1.26 -5.01 115.26 111.81 1bw5 n ASN 11 Ca 0.03 -0.69 0.18 0.00 -0.53 0.00 0.00 54.58 53.58 1bw5 n ASN 11 Cb 0.52 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 39.02 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 4.39 -1.99 -1.97 114.58 111.18 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.48 1bw5 n LYS 13 N -3.61 0.00 0.02 2.33 5.02 -1.26 -3.13 118.16 117.52 1bw5 n LYS 13 Ca 0.03 0.29 0.04 0.00 -2.02 0.00 0.00 58.31 56.66 1bw5 n LYS 13 Cb 0.45 -1.14 0.43 0.00 -0.02 0.00 0.00 35.03 34.75 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 0.50 -0.54 1.97 1.08 -1.96 -2.77 115.11 113.39 1bw5 h GLN 14 Ca 0.00 -0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1bw5 h GLN 14 Cb 0.00 -0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 27.22 1bw5 h GLN 14 CO 0.00 0.34 -0.11 1.25 -0.95 0.00 0.00 178.83 179.36 1bw5 h LEU 15 N 0.52 -0.46 -0.86 1.46 7.12 -1.45 -0.07 115.31 121.57 1bw5 h LEU 15 Ca 0.14 0.16 0.22 0.00 0.13 0.00 0.00 57.88 58.53 1bw5 h LEU 15 Cb -0.04 0.32 -0.14 0.00 -0.53 0.00 0.00 40.66 40.28 1bw5 h LEU 15 CO -0.03 -0.17 0.23 -0.74 -0.13 0.00 0.00 178.44 177.61 1bw5 h HIS 16 N 0.02 0.35 0.15 1.25 2.76 -1.43 0.78 115.15 119.02 1bw5 h HIS 16 Ca 0.26 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 1bw5 h HIS 16 Cb 0.41 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 1bw5 h HIS 16 CO -0.44 -0.18 -0.09 1.15 -1.30 0.00 0.00 177.93 177.07 1bw5 h THR 17 N 0.23 0.00 -0.68 6.26 2.02 -1.13 -2.84 112.91 116.77 1bw5 h THR 17 Ca 0.53 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.88 1bw5 h THR 17 Cb 1.03 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1bw5 h THR 17 CO -0.63 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 175.67 1bw5 h LEU 18 N -0.23 0.12 -1.46 2.58 3.38 -1.37 -1.64 115.31 116.69 1bw5 h LEU 18 Ca -0.02 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.15 1bw5 h LEU 18 Cb 0.18 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1bw5 h LEU 18 CO 0.02 0.06 0.58 0.03 0.09 0.00 0.00 178.44 179.22 1bw5 h ARG 19 N 0.13 0.45 -0.59 1.13 3.08 -0.60 -1.60 114.38 116.38 1bw5 h ARG 19 Ca 0.33 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 1bw5 h ARG 19 Cb 1.12 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 1bw5 h ARG 19 CO -0.04 0.30 0.23 1.79 -1.07 0.00 0.00 179.97 181.18 1bw5 h THR 20 N 0.47 1.23 0.60 2.04 1.35 -1.29 -3.08 112.91 114.22 1bw5 h THR 20 Ca 0.46 -0.71 -0.03 0.00 -0.55 0.00 0.00 66.41 65.59 1bw5 h THR 20 Cb 1.06 0.60 0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1bw5 h THR 20 CO -0.19 0.27 -0.29 0.00 -0.25 0.00 0.00 175.52 175.07 1bw5 h TYR 22 N -0.82 -0.32 -0.62 0.00 3.20 -1.57 1.09 116.97 117.92 1bw5 h TYR 22 Ca -0.08 0.07 0.11 0.00 3.14 0.00 0.00 58.73 61.96 1bw5 h TYR 22 Cb 0.61 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1bw5 h TYR 22 CO 0.09 -0.34 0.42 0.00 -1.64 0.00 0.00 178.16 176.69 1bw5 h ALA 23 N 1.81 2.03 0.00 1.82 0.00 -1.55 -2.45 119.26 120.92 1bw5 h ALA 23 Ca 0.42 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.08 1bw5 h ALA 23 Cb 0.69 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1bw5 h ALA 23 CO -0.82 -0.17 -1.97 0.00 0.00 0.00 0.00 179.25 176.29 1bw5 n ALA 24 N -2.52 1.87 -3.33 0.00 0.00 0.14 -4.91 120.51 111.75 1bw5 n ALA 24 Ca 0.10 -0.90 0.02 0.00 0.00 0.00 0.00 53.44 52.67 1bw5 n ALA 24 Cb 0.39 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 -5.45 -1.26 0.00 0.00 3.04 0.33 -5.01 114.94 106.59 1bw5 s ASN 25 Ca -0.07 1.11 0.00 0.00 0.04 0.00 0.00 52.86 53.94 1bw5 s ASN 25 Cb 0.08 2.19 0.00 0.00 -1.54 0.00 0.00 41.25 41.98 1bw5 s ASN 25 CO 0.84 -0.24 0.87 -0.81 -3.04 0.00 0.00 177.10 174.72 1bw5 n PRO 26 N 5.43 0.98 -3.27 0.43 -0.04 -1.22 -3.49 135.00 133.82 1bw5 n PRO 26 Ca -0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.34 1bw5 n PRO 26 Cb 0.50 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.79 0.49 0.78 0.54 1.81 -1.26 -5.03 118.95 114.49 1bw5 s ARG 27 Ca 0.00 0.11 -0.09 0.00 -1.72 0.00 0.00 55.73 54.03 1bw5 s ARG 27 Cb 0.00 -0.20 0.10 0.00 -0.45 0.00 0.00 34.95 34.41 1bw5 s ARG 27 CO 0.00 -1.06 1.11 -1.25 -0.68 0.00 0.00 175.30 173.42 1bw5 s PRO 28 N 2.47 1.75 0.00 3.54 0.04 -1.26 -5.09 135.00 136.44 1bw5 s PRO 28 Ca 0.11 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1bw5 s PRO 28 Cb -0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1bw5 s PRO 28 CO -0.26 -1.59 0.00 -0.25 0.04 0.00 0.00 177.00 174.94 1bw5 n ASP 29 N -3.17 0.00 -0.26 6.66 8.00 -1.26 -4.98 116.55 121.54 1bw5 n ASP 29 Ca 0.10 -0.37 0.33 0.00 0.71 0.00 0.00 54.79 55.56 1bw5 n ASP 29 Cb 0.60 0.00 0.68 0.00 -0.02 0.00 0.00 41.12 42.38 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 1.90 2.98 -3.00 2.24 0.00 -1.99 0.22 119.26 121.62 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 -1.53 0.00 1.28 0.00 0.00 0.00 179.25 179.00 1bw5 n LEU 31 N -3.77 1.00 0.33 0.00 4.32 -1.26 -3.68 117.00 113.93 1bw5 n LEU 31 Ca 0.24 0.29 0.21 0.00 -0.02 0.00 0.00 56.01 56.72 1bw5 n LEU 31 Cb 1.31 0.00 1.14 0.00 -1.62 0.00 0.00 43.42 44.25 1bw5 n LEU 31 CO 0.34 0.00 1.17 -0.03 -1.22 0.00 0.00 177.39 177.65 1bw5 h MET 32 N 0.00 0.00 -1.00 3.23 4.05 -1.91 -2.59 114.93 116.70 1bw5 h MET 32 Ca 0.00 0.00 0.22 0.00 -0.28 0.00 0.00 59.70 59.64 1bw5 h MET 32 Cb 0.00 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 30.69 1bw5 h MET 32 CO 0.00 0.00 0.61 -0.22 0.23 0.00 0.00 176.91 177.53 1bw5 h LYS 33 N 0.00 0.65 0.21 0.39 1.63 -0.63 0.23 116.57 119.05 1bw5 h LYS 33 Ca 0.00 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1bw5 h LYS 33 Cb 0.01 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1bw5 h LYS 33 CO -0.00 0.43 -0.10 1.49 -3.45 0.00 0.00 179.45 177.82 1bw5 h GLU 34 N 0.67 -0.27 -0.78 1.90 4.22 -1.55 -3.03 114.58 115.74 1bw5 h GLU 34 Ca 0.61 0.02 0.13 0.00 0.08 0.00 0.00 59.36 60.20 1bw5 h GLU 34 Cb 1.06 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 1bw5 h GLU 34 CO -0.42 -0.18 0.51 -0.56 -2.18 0.00 0.00 179.01 176.18 1bw5 h GLN 35 N -0.33 0.53 -0.72 1.92 3.07 -1.67 -1.95 115.11 115.96 1bw5 h GLN 35 Ca -0.03 -0.03 0.13 0.00 0.09 0.00 0.00 58.65 58.81 1bw5 h GLN 35 Cb 0.22 -0.12 -0.09 0.00 0.08 0.00 0.00 27.48 27.57 1bw5 h GLN 35 CO 0.05 0.35 0.28 -0.07 0.09 0.00 0.00 178.83 179.53 1bw5 h LEU 36 N 0.55 0.27 0.15 0.06 -0.00 -0.53 -1.64 115.31 114.16 1bw5 h LEU 36 Ca 0.38 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 58.35 1bw5 h LEU 36 Cb 0.70 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 1bw5 h LEU 36 CO -0.14 0.12 -0.07 0.58 -0.00 0.00 0.00 178.44 178.93 1bw5 h VAL 37 N 0.44 0.88 -0.11 1.22 2.07 -1.23 -2.27 116.25 117.25 1bw5 h VAL 37 Ca 0.39 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.83 1bw5 h VAL 37 Cb 0.55 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1bw5 h VAL 37 CO -0.38 0.03 0.20 -0.08 0.02 0.00 0.00 177.57 177.36 1bw5 h GLU 38 N -0.25 0.00 0.00 1.57 4.57 -1.37 0.54 114.58 119.65 1bw5 h GLU 38 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1bw5 h GLU 38 Cb 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1bw5 h GLU 38 CO 0.03 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.53 1bw5 n MET 39 N -3.45 0.00 0.00 1.92 2.81 -0.69 -3.98 117.12 113.73 1bw5 n MET 39 Ca 0.00 0.08 0.14 0.00 -1.81 0.00 0.00 57.70 56.11 1bw5 n MET 39 Cb 0.30 -0.92 0.59 0.00 -0.71 0.00 0.00 33.22 32.48 1bw5 n MET 39 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1bw5 n THR 40 N -0.73 0.00 -1.30 2.03 5.66 -1.23 -4.90 114.28 113.80 1bw5 n THR 40 Ca 0.00 -0.07 -0.11 0.00 -3.05 0.00 0.00 64.05 60.82 1bw5 n THR 40 Cb 0.00 -0.04 -0.05 0.00 -1.55 0.00 0.00 70.33 68.70 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 1.28 1.02 3.93 1.09 0.00 0.19 -4.96 105.19 107.74 1bw5 n GLY 41 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1bw5 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bw5 s LEU 42 N -2.46 2.73 0.91 0.99 1.02 -1.26 -4.99 118.68 115.62 1bw5 s LEU 42 Ca 0.00 0.36 -0.12 0.00 0.02 0.00 0.00 54.13 54.39 1bw5 s LEU 42 Cb 0.00 -2.72 0.14 0.00 0.02 0.00 0.00 46.19 43.63 1bw5 s LEU 42 CO 0.00 -2.11 1.10 -0.94 0.02 0.00 0.00 176.35 174.42 1bw5 s SER 43 N -4.69 3.43 0.38 2.29 1.04 -1.26 -4.88 113.70 110.00 1bw5 s SER 43 Ca 0.66 1.31 0.19 0.00 0.48 0.00 0.00 55.95 58.59 1bw5 s SER 43 Cb -0.08 -1.98 0.70 0.00 0.10 0.00 0.00 66.02 64.76 1bw5 s SER 43 CO 0.49 -2.64 1.74 1.55 0.98 0.00 0.00 173.24 175.36 1bw5 h PRO 44 N -1.55 0.00 0.18 4.02 0.13 -2.00 -3.26 132.00 129.51 1bw5 h PRO 44 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1bw5 h PRO 44 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1bw5 h PRO 44 CO 0.57 0.37 -0.34 0.00 -0.23 0.00 0.00 178.00 178.37 1bw5 h ARG 45 N 0.00 -0.53 -0.18 0.86 3.08 -2.01 -1.52 114.38 114.08 1bw5 h ARG 45 Ca -0.00 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1bw5 h ARG 45 Cb 0.88 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1bw5 h ARG 45 CO 0.05 -0.36 0.05 0.28 -1.07 0.00 0.00 179.97 178.93 1bw5 h VAL 46 N -0.55 0.95 -0.16 2.04 2.07 -1.97 -2.93 116.25 115.70 1bw5 h VAL 46 Ca -0.02 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1bw5 h VAL 46 Cb 0.52 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1bw5 h VAL 46 CO -0.13 0.03 -0.42 0.40 0.02 0.00 0.00 177.57 177.47 1bw5 h ILE 47 N 0.14 0.14 0.24 4.57 1.08 -1.57 -2.35 117.51 119.76 1bw5 h ILE 47 Ca 0.08 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 1bw5 h ILE 47 Cb 0.05 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 33.90 1bw5 h ILE 47 CO -0.08 0.00 -0.47 -0.09 -0.69 0.00 0.00 178.15 176.81 1bw5 h ARG 48 N -0.48 -0.76 -0.29 2.37 2.43 -1.19 -2.33 114.38 114.14 1bw5 h ARG 48 Ca 0.08 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1bw5 h ARG 48 Cb 0.62 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1bw5 h ARG 48 CO -0.41 -0.51 0.29 -0.24 -1.51 0.00 0.00 179.97 177.59 1bw5 h VAL 49 N -0.79 0.50 0.30 0.20 3.04 -1.35 -3.00 116.25 115.15 1bw5 h VAL 49 Ca -0.01 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1bw5 h VAL 49 Cb 0.76 0.78 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 1bw5 h VAL 49 CO -0.20 0.00 -0.40 -0.25 -1.01 0.00 0.00 177.57 175.71 1bw5 h TRP 50 N 0.00 -1.13 -0.22 3.17 7.01 -0.86 -0.97 115.95 122.95 1bw5 h TRP 50 Ca 0.14 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.21 1bw5 h TRP 50 Cb 0.71 0.45 -0.07 0.00 -2.10 0.00 0.00 29.16 28.15 1bw5 h TRP 50 CO 0.00 -0.51 -0.29 0.74 -2.79 0.00 0.00 178.44 175.59 1bw5 h PHE 51 N -0.72 -0.80 0.00 2.65 -1.00 -1.64 0.28 116.94 115.72 1bw5 h PHE 51 Ca -0.04 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1bw5 h PHE 51 Cb 0.65 0.39 -0.00 0.00 3.61 0.00 0.00 35.95 40.60 1bw5 h PHE 51 CO -0.28 -0.37 -0.03 0.37 -1.61 0.00 0.00 178.31 176.40 1bw5 h GLN 52 N -0.31 -0.04 -0.77 1.51 4.15 -1.57 -2.63 115.11 115.44 1bw5 h GLN 52 Ca 0.13 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.68 1bw5 h GLN 52 Cb 0.51 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.12 1bw5 h GLN 52 CO -0.40 -0.02 0.36 -0.91 -1.93 0.00 0.00 178.83 175.93 1bw5 h ASN 53 N -0.04 0.42 -0.73 -0.69 2.35 -1.07 -2.50 115.58 113.33 1bw5 h ASN 53 Ca 0.00 0.09 0.14 0.00 -0.55 0.00 0.00 56.30 55.98 1bw5 h ASN 53 Cb 0.04 0.03 -0.14 0.00 0.05 0.00 0.00 38.32 38.30 1bw5 h ASN 53 CO -0.02 0.19 -0.19 0.50 -1.65 0.00 0.00 177.43 176.26 1bw5 h LYS 54 N 0.55 -0.01 -0.14 0.81 1.63 -0.08 -1.52 116.57 117.81 1bw5 h LYS 54 Ca 0.41 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.26 1bw5 h LYS 54 Cb 0.56 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.12 1bw5 h LYS 54 CO -0.35 -0.01 -0.37 -0.09 -3.45 0.00 0.00 179.45 175.18 1bw5 h ARG 55 N -0.01 -0.43 -0.47 1.90 2.43 -1.15 0.65 114.38 117.31 1bw5 h ARG 55 Ca 0.34 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.61 1bw5 h ARG 55 Cb 0.54 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 1bw5 h ARG 55 CO -0.75 -0.28 0.14 0.00 -1.51 0.00 0.00 179.97 177.56 1bw5 h LYS 57 N 0.30 0.08 0.00 0.00 1.79 -0.55 -2.50 116.57 115.69 1bw5 h LYS 57 Ca 0.23 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1bw5 h LYS 57 Cb 0.26 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1bw5 h LYS 57 CO -0.25 0.38 0.00 -0.44 -1.08 0.00 0.00 179.45 178.05 1bw5 h ASP 58 N 0.07 0.00 0.00 0.86 3.32 0.15 -3.44 116.42 117.39 1bw5 h ASP 58 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1bw5 h ASP 58 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1bw5 h ASP 58 CO 0.04 0.00 0.00 1.17 -1.72 0.00 0.00 179.24 178.73 1bw5 n LYS 59 N -2.50 0.00 0.00 3.56 4.81 -0.94 -3.64 118.16 119.45 1bw5 n LYS 59 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1bw5 n LYS 59 Cb 0.05 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.10 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1bw5 n LYS 60 N 0.00 0.00 0.00 1.64 4.81 -1.26 -5.06 118.16 118.29 1bw5 n LYS 60 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bw5 n LYS 60 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1bw5 n ARG 61 N -2.52 0.00 -1.92 1.64 1.74 -1.24 -4.87 116.66 109.49 1bw5 n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1bw5 n ARG 61 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bw5 n SER 62 N 1.87 -9.72 -4.64 0.55 3.41 -1.26 -4.89 113.62 98.94 1bw5 n SER 62 Ca 0.00 1.39 -0.37 0.00 -0.26 0.00 0.00 58.87 59.64 1bw5 n SER 62 Cb 0.00 -5.28 -0.10 0.00 -0.26 0.00 0.00 64.21 58.57 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1bw5 s ILE 63 N -2.15 5.27 -0.34 -1.33 1.09 -1.26 -5.06 121.20 117.42 1bw5 s ILE 63 Ca 0.00 0.15 -0.13 0.00 -1.10 0.00 0.00 60.65 59.57 1bw5 s ILE 63 Cb 0.00 -3.46 -0.02 0.00 -1.06 0.00 0.00 42.46 37.92 1bw5 s ILE 63 CO 0.00 0.34 0.24 -0.04 -0.10 0.00 0.00 174.94 175.37 1bw5 s MET 64 N 1.16 3.47 -0.35 2.79 -1.94 -1.26 -4.96 119.30 118.21 1bw5 s MET 64 Ca 0.07 -0.66 0.09 0.00 -1.71 0.00 0.00 55.69 53.48 1bw5 s MET 64 Cb -0.14 -3.80 0.45 0.00 2.01 0.00 0.00 34.83 33.35 1bw5 s MET 64 CO 0.05 -0.45 1.12 -0.12 -0.01 0.00 0.00 175.02 175.61 1bw5 n MET 65 N 5.10 3.06 0.00 2.03 0.00 -1.26 -5.35 117.12 120.71 1bw5 n MET 65 Ca -0.13 -4.13 0.00 0.00 0.00 0.00 0.00 57.70 53.44 1bw5 n MET 65 Cb 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.64 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60