#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 2.44 -3.43 2.12 5.02 -1.26 -4.74 118.16 118.31 1bw5 n LYS 2 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1bw5 n LYS 2 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1bw5 n THR 3 N 0.00 -2.22 -3.95 -0.18 -1.04 -1.26 -1.85 114.28 103.78 1bw5 n THR 3 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1bw5 n THR 3 Cb 0.00 -3.33 0.01 0.00 -1.82 0.00 0.00 70.33 65.19 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1bw5 n THR 4 N -4.66 -2.36 -0.66 12.58 -1.04 -1.26 -4.91 114.28 111.98 1bw5 n THR 4 Ca -0.03 -0.15 -0.32 0.00 -2.04 0.00 0.00 64.05 61.51 1bw5 n THR 4 Cb 0.57 -2.73 0.17 0.00 -1.82 0.00 0.00 70.33 66.53 1bw5 n THR 4 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1bw5 n ARG 5 N -4.52 -1.70 -1.06 -2.82 0.00 -0.77 -4.73 116.66 101.06 1bw5 n ARG 5 Ca -0.05 -0.48 0.10 0.00 -0.00 0.00 0.00 57.85 57.42 1bw5 n ARG 5 Cb 0.56 -1.69 -0.06 0.00 0.00 0.00 0.00 32.46 31.28 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1bw5 n VAL 6 N -4.47 -0.56 -2.74 5.15 0.31 -1.26 -4.96 118.33 109.80 1bw5 n VAL 6 Ca 0.01 0.56 -0.06 0.00 -0.01 0.00 0.00 64.34 64.84 1bw5 n VAL 6 Cb 0.62 -0.84 0.04 0.00 -0.91 0.00 0.00 33.84 32.74 1bw5 n VAL 6 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1bw5 n ARG 7 N -3.80 0.57 -2.25 5.55 1.85 -1.26 -5.09 116.66 112.24 1bw5 n ARG 7 Ca -0.06 -1.66 0.00 0.00 -1.00 0.00 0.00 57.85 55.13 1bw5 n ARG 7 Cb 0.40 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 1bw5 n ARG 7 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1bw5 n THR 8 N 2.17 -9.50 1.24 8.89 -1.04 -1.26 -4.82 114.28 109.97 1bw5 n THR 8 Ca 0.12 2.25 0.14 0.00 -2.04 0.00 0.00 64.05 64.52 1bw5 n THR 8 Cb 0.61 -4.72 0.64 0.00 -1.82 0.00 0.00 70.33 65.05 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 1.90 0.00 -2.33 12.58 0.24 -1.26 -4.86 118.33 124.61 1bw5 n VAL 9 Ca 0.00 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.34 61.99 1bw5 n VAL 9 Cb 0.00 -0.35 -0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1bw5 n VAL 9 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1bw5 s LEU 10 N -2.73 3.49 0.00 1.34 0.05 -1.26 -5.06 118.68 114.51 1bw5 s LEU 10 Ca 0.22 1.20 0.00 0.00 0.05 0.00 0.00 54.13 55.60 1bw5 s LEU 10 Cb 0.20 -4.19 0.00 0.00 -2.05 0.00 0.00 46.19 40.15 1bw5 s LEU 10 CO 0.51 -0.68 0.00 -0.46 -0.55 0.00 0.00 176.35 175.17 1bw5 n ASN 11 N -2.30 1.46 0.08 1.48 0.23 -1.26 -4.90 115.26 110.05 1bw5 n ASN 11 Ca 0.03 0.00 0.17 0.00 -0.53 0.00 0.00 54.58 54.25 1bw5 n ASN 11 Cb 0.54 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.69 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 4.81 -1.97 -1.11 114.58 112.48 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 179.01 179.45 1bw5 n LYS 13 N -3.08 0.00 -0.07 1.92 3.00 -1.26 -3.86 118.16 114.81 1bw5 n LYS 13 Ca 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.38 1bw5 n LYS 13 Cb 1.02 -0.50 0.21 0.00 0.00 0.00 0.00 35.03 35.76 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1bw5 h GLN 14 N 0.00 0.70 -1.06 1.64 7.50 -1.92 -2.97 115.11 119.00 1bw5 h GLN 14 Ca 0.00 -0.17 0.33 0.00 0.50 0.00 0.00 58.65 59.32 1bw5 h GLN 14 Cb 0.00 -0.09 -0.14 0.00 0.05 0.00 0.00 27.48 27.30 1bw5 h GLN 14 CO 0.00 0.70 0.63 1.25 -1.50 0.00 0.00 178.83 179.91 1bw5 h LEU 15 N 0.67 0.47 0.20 1.46 5.85 -1.40 0.87 115.31 123.43 1bw5 h LEU 15 Ca 0.14 0.17 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1bw5 h LEU 15 Cb 0.38 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1bw5 h LEU 15 CO 0.01 -0.12 -0.33 -0.74 -0.34 0.00 0.00 178.44 176.92 1bw5 h HIS 16 N 0.29 -0.91 0.12 1.25 2.76 -1.63 0.41 115.15 117.45 1bw5 h HIS 16 Ca 0.73 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.92 1bw5 h HIS 16 Cb 1.80 0.37 -0.02 0.00 1.55 0.00 0.00 27.41 31.12 1bw5 h HIS 16 CO -0.01 -0.45 -0.28 1.15 -1.30 0.00 0.00 177.93 177.04 1bw5 h THR 17 N -0.61 0.00 -1.01 6.26 2.02 -1.00 -1.33 112.91 117.24 1bw5 h THR 17 Ca 0.01 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.43 1bw5 h THR 17 Cb 0.61 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.93 1bw5 h THR 17 CO -0.15 0.00 0.65 -0.07 0.37 0.00 0.00 175.52 176.32 1bw5 h LEU 18 N -0.44 0.49 -1.30 2.58 3.38 -1.40 -0.55 115.31 118.08 1bw5 h LEU 18 Ca -0.01 0.08 0.36 0.00 0.09 0.00 0.00 57.88 58.39 1bw5 h LEU 18 Cb 0.42 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 1bw5 h LEU 18 CO -0.12 0.13 0.73 -0.09 0.09 0.00 0.00 178.44 179.18 1bw5 h ARG 19 N 0.45 0.22 -0.07 1.13 9.65 0.10 1.10 114.38 126.97 1bw5 h ARG 19 Ca 0.57 -0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 59.32 1bw5 h ARG 19 Cb 1.35 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.87 1bw5 h ARG 19 CO -0.29 0.15 -0.48 1.79 2.80 0.00 0.00 179.97 183.94 1bw5 h THR 20 N 0.23 1.34 0.08 0.20 1.35 -1.09 -3.03 112.91 111.99 1bw5 h THR 20 Ca 0.73 -1.68 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1bw5 h THR 20 Cb 2.05 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1bw5 h THR 20 CO -0.43 0.49 -0.09 0.00 -0.25 0.00 0.00 175.52 175.25 1bw5 h TYR 22 N -0.17 0.26 -0.00 0.00 5.03 -1.65 0.46 116.97 120.90 1bw5 h TYR 22 Ca -0.01 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1bw5 h TYR 22 Cb 0.15 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 1bw5 h TYR 22 CO -0.13 -0.02 0.20 0.00 -1.32 0.00 0.00 178.16 176.89 1bw5 h ALA 23 N 1.51 1.21 0.00 1.82 0.00 -1.37 -2.93 119.26 119.50 1bw5 h ALA 23 Ca 0.34 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 1bw5 h ALA 23 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1bw5 h ALA 23 CO -0.42 -0.20 -1.50 0.00 0.00 0.00 0.00 179.25 177.13 1bw5 n ALA 24 N -1.97 0.89 -3.15 0.00 0.00 0.15 -4.98 120.51 111.44 1bw5 n ALA 24 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 53.44 52.69 1bw5 n ALA 24 Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -6.63 -1.11 -0.69 0.00 3.84 -0.27 -5.05 114.94 105.04 1bw5 s ASN 25 Ca -0.30 0.13 -0.24 0.00 0.21 0.00 0.00 52.86 52.66 1bw5 s ASN 25 Cb 0.08 1.70 -0.19 0.00 -0.55 0.00 0.00 41.25 42.29 1bw5 s ASN 25 CO 0.45 -0.20 1.87 -0.81 -2.79 0.00 0.00 177.10 175.62 1bw5 n PRO 26 N 5.28 1.24 -2.71 0.43 -0.04 -1.24 -4.33 135.00 133.63 1bw5 n PRO 26 Ca 0.07 -1.76 -0.08 0.00 -0.04 0.00 0.00 63.50 61.69 1bw5 n PRO 26 Cb 0.56 -2.94 0.11 0.00 -0.04 0.00 0.00 33.50 31.19 1bw5 n PRO 26 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1bw5 n ARG 27 N 7.30 1.16 -2.30 0.54 0.00 -1.26 -5.11 116.66 116.99 1bw5 n ARG 27 Ca 0.49 -1.92 -0.38 0.00 -0.00 0.00 0.00 57.85 56.03 1bw5 n ARG 27 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 32.46 32.56 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1bw5 s PRO 28 N 0.03 3.99 0.00 -0.14 0.04 -1.26 -4.94 135.00 132.71 1bw5 s PRO 28 Ca 0.22 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1bw5 s PRO 28 Cb 0.38 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1bw5 s PRO 28 CO -0.08 -0.36 0.00 -0.25 0.04 0.00 0.00 177.00 176.35 1bw5 n ASP 29 N -0.06 0.00 -0.19 6.66 8.00 -1.26 -4.98 116.55 124.73 1bw5 n ASP 29 Ca 0.05 -0.38 0.30 0.00 0.71 0.00 0.00 54.79 55.47 1bw5 n ASP 29 Cb 0.47 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.29 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 2.82 -3.00 2.24 0.00 -1.99 0.01 119.26 121.25 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 -1.22 0.00 1.28 0.00 0.00 0.00 179.25 179.31 1bw5 n LEU 31 N -4.03 1.45 0.31 0.00 4.77 -1.26 -3.95 117.00 114.28 1bw5 n LEU 31 Ca 0.20 0.21 0.19 0.00 -0.03 0.00 0.00 56.01 56.58 1bw5 n LEU 31 Cb 1.06 0.00 1.01 0.00 -2.33 0.00 0.00 43.42 43.16 1bw5 n LEU 31 CO 0.36 0.00 1.16 0.24 -1.33 0.00 0.00 177.39 177.82 1bw5 h MET 32 N 0.00 0.00 -0.49 3.23 2.86 -1.91 -2.44 114.93 116.17 1bw5 h MET 32 Ca 0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 1bw5 h MET 32 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1bw5 h MET 32 CO 0.00 0.00 0.51 1.57 1.06 0.00 0.00 176.91 180.05 1bw5 h LYS 33 N 0.00 0.00 0.06 1.72 5.09 -1.11 -1.21 116.57 121.12 1bw5 h LYS 33 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.75 1bw5 h LYS 33 Cb 0.30 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.64 1bw5 h LYS 33 CO -0.00 0.00 -0.03 1.49 -2.09 0.00 0.00 179.45 178.82 1bw5 h GLU 34 N 0.00 -0.08 -0.85 0.07 4.22 -1.62 -3.19 114.58 113.13 1bw5 h GLU 34 Ca 0.24 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.71 1bw5 h GLU 34 Cb 1.26 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1bw5 h GLU 34 CO -0.00 -0.06 0.56 1.96 -2.18 0.00 0.00 179.01 179.29 1bw5 h GLN 35 N -0.16 1.03 -0.78 1.92 4.20 -1.74 -2.29 115.11 117.30 1bw5 h GLN 35 Ca -0.01 -0.06 0.18 0.00 0.06 0.00 0.00 58.65 58.82 1bw5 h GLN 35 Cb 0.07 -0.23 -0.12 0.00 0.30 0.00 0.00 27.48 27.49 1bw5 h GLN 35 CO 0.01 0.68 0.15 -0.07 -0.67 0.00 0.00 178.83 178.94 1bw5 h LEU 36 N 1.06 -0.08 0.00 1.46 -0.00 -1.35 -0.21 115.31 116.20 1bw5 h LEU 36 Ca 0.34 0.17 0.02 0.00 -0.00 0.00 0.00 57.88 58.41 1bw5 h LEU 36 Cb 0.02 0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 1bw5 h LEU 36 CO -0.10 -0.10 -0.11 0.58 -0.00 0.00 0.00 178.44 178.71 1bw5 h VAL 37 N 0.21 0.73 -0.55 1.22 2.07 -1.39 -2.20 116.25 116.34 1bw5 h VAL 37 Ca 0.45 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.06 1bw5 h VAL 37 Cb 0.81 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1bw5 h VAL 37 CO -0.58 0.00 0.37 -0.33 0.02 0.00 0.00 177.57 177.05 1bw5 h GLU 38 N -0.19 0.35 0.74 1.57 3.07 -1.08 1.63 114.58 120.68 1bw5 h GLU 38 Ca 0.04 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1bw5 h GLU 38 Cb 0.24 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1bw5 h GLU 38 CO -0.11 0.23 -0.36 1.98 -1.40 0.00 0.00 179.01 179.36 1bw5 h MET 39 N 0.36 -0.96 0.00 2.33 4.05 -0.67 -3.25 114.93 116.80 1bw5 h MET 39 Ca 0.25 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1bw5 h MET 39 Cb 0.51 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1bw5 h MET 39 CO -0.06 -0.63 -0.94 -2.37 0.23 0.00 0.00 176.91 173.13 1bw5 n THR 40 N -5.51 0.02 -0.73 -0.77 5.66 -1.15 -4.94 114.28 106.87 1bw5 n THR 40 Ca -0.14 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1bw5 n THR 40 Cb 0.40 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 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 1.47 0.33 3.89 1.09 0.00 0.55 -4.96 105.19 107.56 1bw5 n GLY 41 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.79 0.84 0.99 1.02 -1.24 -4.96 118.68 118.12 1bw5 s LEU 42 Ca 0.00 1.02 -0.11 0.00 0.02 0.00 0.00 54.13 55.06 1bw5 s LEU 42 Cb 0.00 -3.73 0.10 0.00 0.02 0.00 0.00 46.19 42.57 1bw5 s LEU 42 CO 0.00 -1.50 1.09 -0.44 0.02 0.00 0.00 176.35 175.52 1bw5 s SER 43 N -4.42 4.01 0.45 2.29 0.01 -1.26 -4.76 113.70 110.01 1bw5 s SER 43 Ca 0.59 1.48 0.30 0.00 1.31 0.00 0.00 55.95 59.63 1bw5 s SER 43 Cb -0.11 -2.19 1.14 0.00 0.21 0.00 0.00 66.02 65.06 1bw5 s SER 43 CO 0.51 -2.30 1.87 1.55 0.41 0.00 0.00 173.24 175.28 1bw5 h PRO 44 N -1.31 0.00 0.14 12.44 0.13 -1.96 -3.26 132.00 138.17 1bw5 h PRO 44 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1bw5 h PRO 44 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1bw5 h PRO 44 CO 0.56 0.00 -0.34 0.00 -0.23 0.00 0.00 178.00 177.98 1bw5 h ARG 45 N 0.00 -0.56 0.00 0.86 3.08 -2.03 -0.93 114.38 114.80 1bw5 h ARG 45 Ca 0.00 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1bw5 h ARG 45 Cb 0.54 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1bw5 h ARG 45 CO 0.00 -0.37 -0.01 0.28 -1.07 0.00 0.00 179.97 178.79 1bw5 h VAL 46 N -0.58 0.16 0.01 2.04 2.07 -1.96 -2.97 116.25 115.02 1bw5 h VAL 46 Ca 0.03 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1bw5 h VAL 46 Cb 0.61 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1bw5 h VAL 46 CO -0.19 0.01 -0.00 0.40 0.02 0.00 0.00 177.57 177.80 1bw5 h ILE 47 N 0.00 1.29 0.54 4.57 1.08 -1.29 -2.75 117.51 120.95 1bw5 h ILE 47 Ca -0.00 -0.89 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 1bw5 h ILE 47 Cb 0.08 1.90 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 1bw5 h ILE 47 CO 0.00 0.23 -0.46 -0.09 -0.69 0.00 0.00 178.15 177.14 1bw5 h ARG 48 N -0.39 -0.95 0.00 2.37 2.43 -1.36 -3.05 114.38 113.42 1bw5 h ARG 48 Ca -0.00 0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1bw5 h ARG 48 Cb 0.39 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1bw5 h ARG 48 CO 0.00 -0.64 -0.24 -0.24 -1.51 0.00 0.00 179.97 177.35 1bw5 h VAL 49 N -0.99 1.06 0.24 0.20 3.04 -1.68 -3.31 116.25 114.82 1bw5 h VAL 49 Ca -0.06 -0.84 -0.01 0.00 -1.01 0.00 0.00 66.70 64.78 1bw5 h VAL 49 Cb 0.85 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 1bw5 h VAL 49 CO -0.02 0.23 -0.21 -0.25 -1.01 0.00 0.00 177.57 176.31 1bw5 h TRP 50 N 0.00 -0.58 -0.81 3.17 7.01 -1.37 -2.89 115.95 120.50 1bw5 h TRP 50 Ca -0.00 0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.19 1bw5 h TRP 50 Cb 0.45 0.22 -0.12 0.00 -2.10 0.00 0.00 29.16 27.60 1bw5 h TRP 50 CO 0.00 -0.29 0.20 0.74 -2.79 0.00 0.00 178.44 176.30 1bw5 h PHE 51 N -0.44 0.30 -0.01 2.65 0.04 -1.66 -1.34 116.94 116.48 1bw5 h PHE 51 Ca -0.03 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1bw5 h PHE 51 Cb 0.38 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 1bw5 h PHE 51 CO -0.10 -0.14 -0.04 0.37 -0.60 0.00 0.00 178.31 177.81 1bw5 h GLN 52 N 0.25 -0.03 -0.67 1.51 -0.00 -1.60 -1.51 115.11 113.05 1bw5 h GLN 52 Ca 0.48 0.00 0.11 0.00 -0.00 0.00 0.00 58.65 59.24 1bw5 h GLN 52 Cb 0.88 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.32 1bw5 h GLN 52 CO -0.58 -0.02 0.45 -2.95 0.00 0.00 0.00 178.83 175.73 1bw5 h ASN 53 N -0.03 0.44 -0.86 -0.69 7.08 -1.28 -2.40 115.58 117.83 1bw5 h ASN 53 Ca 0.00 0.01 0.21 0.00 -3.08 0.00 0.00 56.30 53.44 1bw5 h ASN 53 Cb 0.04 -0.08 -0.15 0.00 -2.08 0.00 0.00 38.32 36.05 1bw5 h ASN 53 CO -0.03 0.25 0.00 0.50 -2.08 0.00 0.00 177.43 176.08 1bw5 h LYS 54 N 0.48 0.07 0.06 4.14 3.11 -0.17 -0.36 116.57 123.91 1bw5 h LYS 54 Ca 0.32 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.17 1bw5 h LYS 54 Cb 0.58 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.76 1bw5 h LYS 54 CO -0.10 0.05 -0.25 0.00 -2.81 0.00 0.00 179.45 176.34 1bw5 h ARG 55 N 0.07 -0.41 -0.16 1.90 3.08 -1.30 0.82 114.38 118.38 1bw5 h ARG 55 Ca 0.49 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.60 1bw5 h ARG 55 Cb 0.91 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1bw5 h ARG 55 CO -0.78 -0.27 -0.09 0.00 -1.07 0.00 0.00 179.97 177.76 1bw5 h LYS 57 N -0.08 0.79 -0.36 0.00 1.79 -1.06 -3.08 116.57 114.58 1bw5 h LYS 57 Ca 0.09 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1bw5 h LYS 57 Cb 0.21 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1bw5 h LYS 57 CO -0.21 0.91 0.21 0.22 -1.08 0.00 0.00 179.45 179.50 1bw5 h ASP 58 N 0.70 0.44 -6.08 0.86 3.58 0.12 -3.46 116.42 112.59 1bw5 h ASP 58 Ca 0.11 -0.06 -0.36 0.00 0.42 0.00 0.00 57.03 57.13 1bw5 h ASP 58 Cb 0.67 -0.11 -0.14 0.00 1.72 0.00 0.00 39.33 41.47 1bw5 h ASP 58 CO 0.05 0.38 -0.56 1.17 -2.88 0.00 0.00 179.24 177.39 1bw5 n LYS 59 N -4.79 -0.94 -3.31 0.28 3.00 -0.32 -1.46 118.16 110.62 1bw5 n LYS 59 Ca -0.00 0.06 -0.17 0.00 -0.00 0.00 0.00 58.31 58.19 1bw5 n LYS 59 Cb 0.06 -2.23 0.01 0.00 0.00 0.00 0.00 35.03 32.87 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 -3.00 -1.76 -3.19 1.64 4.81 -1.26 -4.99 118.16 110.40 1bw5 n LYS 60 Ca -0.14 1.43 0.02 0.00 -0.87 0.00 0.00 58.31 58.75 1bw5 n LYS 60 Cb 0.38 -3.98 -0.01 0.00 0.02 0.00 0.00 35.03 31.44 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1bw5 s ARG 61 N -3.32 0.72 1.43 1.64 3.52 -0.54 -5.15 118.95 117.25 1bw5 s ARG 61 Ca 0.14 0.04 -0.23 0.00 -0.13 0.00 0.00 55.73 55.56 1bw5 s ARG 61 Cb -0.02 0.16 0.37 0.00 -1.56 0.00 0.00 34.95 33.89 1bw5 s ARG 61 CO 0.82 -1.13 0.85 -1.13 -0.81 0.00 0.00 175.30 173.90 1bw5 n SER 62 N 4.79 -3.91 -4.57 -2.12 3.41 -1.26 -4.68 113.62 105.29 1bw5 n SER 62 Ca 0.09 -0.78 -0.18 0.00 -0.26 0.00 0.00 58.87 57.74 1bw5 n SER 62 Cb 0.56 -1.02 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 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 -2.14 3.15 -0.31 -1.33 1.01 -1.26 -4.89 121.20 115.43 1bw5 s ILE 63 Ca 0.66 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 61.04 1bw5 s ILE 63 Cb -0.13 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1bw5 s ILE 63 CO 0.56 -0.29 0.15 -0.04 0.00 0.00 0.00 174.94 175.32 1bw5 s MET 64 N 8.20 3.34 0.20 2.79 -1.94 -1.26 -4.90 119.30 125.72 1bw5 s MET 64 Ca 0.83 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 54.10 1bw5 s MET 64 Cb -0.08 -3.55 0.00 0.00 2.01 0.00 0.00 34.83 33.21 1bw5 s MET 64 CO 0.10 -0.41 0.00 -1.33 -0.01 0.00 0.00 175.02 173.37 1bw5 n MET 65 N 4.98 -5.33 0.00 2.03 2.81 -1.26 -5.23 117.12 115.11 1bw5 n MET 65 Ca -0.14 3.75 0.09 0.00 -1.81 0.00 0.00 57.70 59.59 1bw5 n MET 65 Cb 0.49 -4.11 0.07 0.00 -0.71 0.00 0.00 33.22 28.97 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65