#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 3.68 0.48 3.17 2.20 -1.26 -5.08 119.74 122.93 1bw5 s LYS 2 Ca 0.00 0.34 -0.04 0.00 -0.36 0.00 0.00 55.97 55.90 1bw5 s LYS 2 Cb 0.00 -2.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1bw5 s LYS 2 CO 0.00 -0.07 0.77 -0.08 -0.36 0.00 0.00 175.35 175.60 1bw5 s THR 3 N -2.48 4.80 1.00 3.43 -1.32 -1.26 -5.07 115.64 114.74 1bw5 s THR 3 Ca 0.49 0.09 -0.13 0.00 -1.21 0.00 0.00 61.69 60.93 1bw5 s THR 3 Cb -0.10 -3.82 0.19 0.00 -1.51 0.00 0.00 72.50 67.25 1bw5 s THR 3 CO 0.36 -0.77 1.12 0.28 -2.21 0.00 0.00 174.62 173.39 1bw5 s THR 4 N -2.71 1.96 0.05 5.08 -1.32 -1.26 -5.04 115.64 112.39 1bw5 s THR 4 Ca 0.47 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.91 1bw5 s THR 4 Cb -0.10 -2.59 -0.05 0.00 -1.51 0.00 0.00 72.50 68.25 1bw5 s THR 4 CO 0.44 0.00 0.26 -0.13 -2.21 0.00 0.00 174.62 172.98 1bw5 s ARG 5 N -5.14 3.53 -0.88 7.08 3.00 -1.26 -5.02 118.95 120.26 1bw5 s ARG 5 Ca 0.66 -0.21 -0.25 0.00 0.00 0.00 0.00 55.73 55.93 1bw5 s ARG 5 Cb -0.16 -3.02 0.02 0.00 0.00 0.00 0.00 34.95 31.79 1bw5 s ARG 5 CO 0.56 0.60 1.56 0.08 0.00 0.00 0.00 175.30 178.10 1bw5 s VAL 6 N -1.44 3.70 -0.25 3.52 1.01 -1.26 -4.74 120.40 120.95 1bw5 s VAL 6 Ca 0.32 -0.28 0.13 0.00 0.00 0.00 0.00 61.98 62.15 1bw5 s VAL 6 Cb -0.13 -4.67 0.47 0.00 0.00 0.00 0.00 36.38 32.05 1bw5 s VAL 6 CO 0.21 -1.59 1.17 -1.14 0.00 0.00 0.00 175.10 173.76 1bw5 n ARG 7 N 9.04 2.62 -1.00 2.72 0.63 -1.26 -5.08 116.66 124.33 1bw5 n ARG 7 Ca 0.26 -3.74 -0.30 0.00 -0.92 0.00 0.00 57.85 53.14 1bw5 n ARG 7 Cb 0.50 -1.87 0.15 0.00 0.45 0.00 0.00 32.46 31.69 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1bw5 s THR 8 N -3.91 2.57 -0.14 5.15 -4.23 -1.26 -4.97 115.64 108.85 1bw5 s THR 8 Ca 0.42 0.19 0.18 0.00 -1.18 0.00 0.00 61.69 61.30 1bw5 s THR 8 Cb 0.38 -2.49 0.33 0.00 1.34 0.00 0.00 72.50 72.06 1bw5 s THR 8 CO -0.01 -0.24 1.20 1.33 -0.54 0.00 0.00 174.62 176.35 1bw5 n VAL 9 N -4.04 1.95 -2.68 2.29 0.24 -1.26 -5.01 118.33 109.82 1bw5 n VAL 9 Ca 0.08 -2.20 -0.42 0.00 -2.04 0.00 0.00 64.34 59.76 1bw5 n VAL 9 Cb 0.54 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.86 4.25 0.00 1.34 2.01 -1.26 -4.91 118.68 117.25 1bw5 s LEU 10 Ca 0.34 1.55 0.00 0.00 0.01 0.00 0.00 54.13 56.03 1bw5 s LEU 10 Cb 0.29 -3.56 0.00 0.00 0.01 0.00 0.00 46.19 42.93 1bw5 s LEU 10 CO 0.04 -0.44 0.00 -0.46 1.01 0.00 0.00 176.35 176.50 1bw5 n ASN 11 N 4.95 0.00 -0.21 2.29 0.23 -1.26 -5.01 115.26 116.25 1bw5 n ASN 11 Ca 0.09 -0.50 0.26 0.00 -0.53 0.00 0.00 54.58 53.89 1bw5 n ASN 11 Cb 0.49 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.84 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 0.14 0.00 -3.83 5.08 -2.00 -2.61 114.58 111.36 1bw5 h GLU 12 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bw5 h GLU 12 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1bw5 h GLU 12 CO 0.00 0.09 0.00 1.17 -1.00 0.00 0.00 179.01 179.27 1bw5 n LYS 13 N -4.36 0.00 -0.31 2.33 3.00 -1.26 -3.62 118.16 113.94 1bw5 n LYS 13 Ca 0.19 0.34 0.10 0.00 -0.00 0.00 0.00 58.31 58.95 1bw5 n LYS 13 Cb 0.89 -1.09 0.32 0.00 0.00 0.00 0.00 35.03 35.15 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 0.79 -0.38 1.64 4.20 -1.90 -1.60 115.11 117.86 1bw5 h GLN 14 Ca 0.00 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.77 1bw5 h GLN 14 Cb 0.00 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1bw5 h GLN 14 CO 0.00 0.52 0.28 1.25 -0.67 0.00 0.00 178.83 180.21 1bw5 h LEU 15 N 0.82 0.00 -0.75 1.46 6.46 -1.61 -2.45 115.31 119.25 1bw5 h LEU 15 Ca 0.48 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 58.40 1bw5 h LEU 15 Cb 0.64 -0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.44 1bw5 h LEU 15 CO -0.24 0.00 0.01 -0.74 -0.62 0.00 0.00 178.44 176.85 1bw5 h HIS 16 N 0.00 -0.05 0.71 1.25 2.76 -1.35 0.21 115.15 118.68 1bw5 h HIS 16 Ca 0.18 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.37 1bw5 h HIS 16 Cb 0.73 0.14 0.01 0.00 1.55 0.00 0.00 27.41 29.83 1bw5 h HIS 16 CO -0.00 -0.24 -0.34 1.79 -1.30 0.00 0.00 177.93 177.84 1bw5 h THR 17 N 0.10 0.00 -1.01 6.26 1.35 -1.63 -2.96 112.91 115.02 1bw5 h THR 17 Ca 0.41 -0.03 0.26 0.00 -0.55 0.00 0.00 66.41 66.50 1bw5 h THR 17 Cb 0.71 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.00 1bw5 h THR 17 CO -0.66 0.00 0.59 -0.07 -0.25 0.00 0.00 175.52 175.13 1bw5 h LEU 18 N -0.98 0.64 -0.28 3.87 3.38 -1.45 -1.02 115.31 119.46 1bw5 h LEU 18 Ca -0.10 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1bw5 h LEU 18 Cb 0.73 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1bw5 h LEU 18 CO 0.16 0.05 -0.26 -0.09 0.09 0.00 0.00 178.44 178.39 1bw5 h ARG 19 N 0.52 -0.24 0.00 1.13 2.43 -0.45 -0.45 114.38 117.32 1bw5 h ARG 19 Ca 0.67 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.79 1bw5 h ARG 19 Cb 1.34 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1bw5 h ARG 19 CO -0.50 -0.16 -0.32 0.00 -1.51 0.00 0.00 179.97 177.48 1bw5 h THR 20 N -0.25 1.15 0.72 0.20 1.03 -1.15 -3.07 112.91 111.54 1bw5 h THR 20 Ca 0.15 -1.12 -0.03 0.00 -0.01 0.00 0.00 66.41 65.40 1bw5 h THR 20 Cb 0.48 1.61 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 1bw5 h THR 20 CO -0.42 0.31 -0.39 0.00 -0.01 0.00 0.00 175.52 175.01 1bw5 h TYR 22 N -1.02 0.86 -0.04 0.00 5.03 -1.40 0.99 116.97 121.39 1bw5 h TYR 22 Ca -0.10 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.26 1bw5 h TYR 22 Cb 0.80 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.85 1bw5 h TYR 22 CO -0.01 0.02 0.08 0.00 -1.32 0.00 0.00 178.16 176.93 1bw5 h ALA 23 N 1.72 1.39 0.02 1.82 0.00 -1.36 -2.44 119.26 120.41 1bw5 h ALA 23 Ca 0.61 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.15 1bw5 h ALA 23 Cb 1.15 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1bw5 h ALA 23 CO -0.50 -0.10 -2.24 0.00 0.00 0.00 0.00 179.25 176.42 1bw5 n ALA 24 N -2.20 1.36 -3.66 0.00 0.00 0.32 -4.95 120.51 111.38 1bw5 n ALA 24 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 53.44 52.33 1bw5 n ALA 24 Cb 0.16 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 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 -6.25 -0.70 0.00 0.00 3.84 -0.11 -5.02 114.94 106.70 1bw5 s ASN 25 Ca -0.20 1.23 0.11 0.00 0.21 0.00 0.00 52.86 54.20 1bw5 s ASN 25 Cb 0.07 1.42 0.49 0.00 -0.55 0.00 0.00 41.25 42.68 1bw5 s ASN 25 CO 0.74 -0.22 1.34 -0.81 -2.79 0.00 0.00 177.10 175.35 1bw5 n PRO 26 N 4.84 1.33 -3.02 0.43 -0.04 -1.24 -4.01 135.00 133.29 1bw5 n PRO 26 Ca -0.16 -0.51 -0.10 0.00 -0.04 0.00 0.00 63.50 62.69 1bw5 n PRO 26 Cb 0.53 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 1bw5 n PRO 26 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1bw5 s ARG 27 N -1.85 0.96 0.72 0.54 3.52 -1.26 -5.09 118.95 116.50 1bw5 s ARG 27 Ca 0.19 -1.20 -0.06 0.00 -0.13 0.00 0.00 55.73 54.52 1bw5 s ARG 27 Cb 0.09 -0.42 0.08 0.00 -1.56 0.00 0.00 34.95 33.15 1bw5 s ARG 27 CO 0.14 -1.31 1.02 -1.25 -0.81 0.00 0.00 175.30 173.08 1bw5 s PRO 28 N 0.85 1.99 0.00 5.12 0.04 -1.26 -5.08 135.00 136.65 1bw5 s PRO 28 Ca 0.28 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1bw5 s PRO 28 Cb -0.01 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1bw5 s PRO 28 CO -0.08 -1.34 0.00 -3.47 0.04 0.00 0.00 177.00 172.15 1bw5 n ASP 29 N -2.93 0.70 -0.14 6.66 -0.08 -1.26 -4.96 116.55 114.53 1bw5 n ASP 29 Ca 0.10 0.00 0.28 0.00 -1.51 0.00 0.00 54.79 53.66 1bw5 n ASP 29 Cb 0.60 0.00 0.63 0.00 2.34 0.00 0.00 41.12 44.69 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bw5 h ALA 30 N 2.00 2.72 -3.00 -1.67 0.00 -1.99 -1.89 119.26 115.43 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 -1.33 0.00 1.28 0.00 0.00 0.00 179.25 179.20 1bw5 n LEU 31 N -3.60 1.00 0.23 0.00 7.99 -1.26 -3.96 117.00 117.39 1bw5 n LEU 31 Ca 0.19 0.26 0.06 0.00 -0.01 0.00 0.00 56.01 56.50 1bw5 n LEU 31 Cb 1.17 0.00 0.53 0.00 -0.11 0.00 0.00 43.42 45.01 1bw5 n LEU 31 CO 0.29 0.00 0.93 0.24 -1.51 0.00 0.00 177.39 177.34 1bw5 h MET 32 N 0.00 0.00 -0.97 3.23 2.86 -1.92 -2.96 114.93 115.17 1bw5 h MET 32 Ca 0.00 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.85 1bw5 h MET 32 Cb 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 1bw5 h MET 32 CO 0.00 0.15 0.62 1.57 1.06 0.00 0.00 176.91 180.31 1bw5 h LYS 33 N 0.00 0.50 0.00 1.72 5.09 -1.51 -0.36 116.57 122.01 1bw5 h LYS 33 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1bw5 h LYS 33 Cb 0.26 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.48 1bw5 h LYS 33 CO 0.02 0.33 0.00 0.39 -2.09 0.00 0.00 179.45 178.10 1bw5 n GLU 34 N -4.61 0.00 -0.25 0.07 -0.58 -1.12 -1.93 120.64 112.23 1bw5 n GLU 34 Ca 0.22 0.47 0.03 0.00 -0.42 0.00 0.00 57.16 57.45 1bw5 n GLU 34 Cb 0.70 -1.42 0.15 0.00 -0.57 0.00 0.00 31.44 30.31 1bw5 n GLU 34 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1bw5 h GLN 35 N 0.00 0.51 -0.94 3.49 7.50 -1.69 -1.28 115.11 122.70 1bw5 h GLN 35 Ca 0.00 -0.03 0.21 0.00 0.50 0.00 0.00 58.65 59.33 1bw5 h GLN 35 Cb 0.00 -0.12 -0.12 0.00 0.05 0.00 0.00 27.48 27.30 1bw5 h GLN 35 CO 0.00 0.34 0.49 -0.07 -1.50 0.00 0.00 178.83 178.09 1bw5 h LEU 36 N 0.53 0.53 -1.17 1.46 -0.00 -1.02 0.13 115.31 115.76 1bw5 h LEU 36 Ca 0.37 0.13 0.02 0.00 -0.00 0.00 0.00 57.88 58.41 1bw5 h LEU 36 Cb 0.47 0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.14 1bw5 h LEU 36 CO -0.32 0.10 0.57 0.58 -0.00 0.00 0.00 178.44 179.36 1bw5 h VAL 37 N 0.53 1.17 -0.77 1.22 2.07 -0.53 -2.71 116.25 117.24 1bw5 h VAL 37 Ca 0.58 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 1bw5 h VAL 37 Cb 1.04 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1bw5 h VAL 37 CO -0.47 0.20 0.39 -0.08 0.02 0.00 0.00 177.57 177.63 1bw5 h GLU 38 N 1.11 1.10 -0.29 1.57 4.22 -0.75 2.42 114.58 123.95 1bw5 h GLU 38 Ca 0.33 -0.15 -0.04 0.00 0.08 0.00 0.00 59.36 59.58 1bw5 h GLU 38 Cb -0.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1bw5 h GLU 38 CO -0.09 0.84 0.02 1.98 -2.18 0.00 0.00 179.01 179.58 1bw5 h MET 39 N 1.08 0.44 0.00 1.92 4.05 -1.35 -3.18 114.93 117.90 1bw5 h MET 39 Ca 0.27 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.54 1bw5 h MET 39 Cb 0.09 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1bw5 h MET 39 CO -0.04 0.46 -1.72 -2.37 0.23 0.00 0.00 176.91 173.47 1bw5 n THR 40 N -4.32 0.27 0.00 -0.77 5.66 -1.07 -4.98 114.28 109.07 1bw5 n THR 40 Ca 0.01 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1bw5 n THR 40 Cb 0.21 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 1.85 2.92 3.66 1.09 0.00 0.81 -5.00 105.19 110.53 1bw5 n GLY 41 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 1.25 0.84 0.99 2.34 -1.25 -4.92 118.68 117.94 1bw5 s LEU 42 Ca 0.00 0.84 -0.12 0.00 0.06 0.00 0.00 54.13 54.91 1bw5 s LEU 42 Cb 0.00 -2.81 0.10 0.00 -0.56 0.00 0.00 46.19 42.91 1bw5 s LEU 42 CO 0.00 -3.54 1.15 -0.94 -1.06 0.00 0.00 176.35 171.96 1bw5 s SER 43 N -3.79 4.15 0.46 1.48 1.04 -1.26 -4.76 113.70 111.02 1bw5 s SER 43 Ca 0.68 0.93 0.26 0.00 0.48 0.00 0.00 55.95 58.30 1bw5 s SER 43 Cb -0.13 -1.49 0.80 0.00 0.10 0.00 0.00 66.02 65.29 1bw5 s SER 43 CO 0.56 -2.15 1.77 1.55 0.98 0.00 0.00 173.24 175.96 1bw5 h PRO 44 N -1.22 0.00 -0.50 4.02 0.13 -1.96 -3.33 132.00 129.14 1bw5 h PRO 44 Ca -0.48 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1bw5 h PRO 44 Cb 1.32 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 1bw5 h PRO 44 CO 0.64 0.09 -0.37 -0.09 -0.23 0.00 0.00 178.00 178.04 1bw5 h ARG 45 N 0.00 -0.22 -0.51 0.86 9.65 -1.99 0.54 114.38 122.71 1bw5 h ARG 45 Ca -0.00 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.97 1bw5 h ARG 45 Cb 0.81 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.38 1bw5 h ARG 45 CO 0.01 -0.15 0.18 0.28 2.80 0.00 0.00 179.97 183.09 1bw5 h VAL 46 N -0.23 0.82 -0.38 0.20 2.07 -1.98 -2.31 116.25 114.43 1bw5 h VAL 46 Ca 0.19 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.44 1bw5 h VAL 46 Cb 0.56 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1bw5 h VAL 46 CO -0.62 0.06 -0.33 0.40 0.02 0.00 0.00 177.57 177.10 1bw5 h ILE 47 N 0.35 1.28 -0.50 4.57 2.04 -1.42 -2.80 117.51 121.03 1bw5 h ILE 47 Ca 0.25 -1.50 0.05 0.00 1.00 0.00 0.00 64.86 64.66 1bw5 h ILE 47 Cb 0.27 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 1bw5 h ILE 47 CO -0.25 0.50 -0.39 0.03 0.00 0.00 0.00 178.15 178.04 1bw5 h ARG 48 N 0.70 -0.11 0.00 2.37 2.47 0.61 0.21 114.38 120.63 1bw5 h ARG 48 Ca 0.07 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1bw5 h ARG 48 Cb 0.91 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 1bw5 h ARG 48 CO 0.08 -0.07 -0.26 -0.24 0.56 0.00 0.00 179.97 180.05 1bw5 h VAL 49 N -0.11 0.84 0.05 2.04 3.04 -1.60 -3.34 116.25 117.17 1bw5 h VAL 49 Ca 0.08 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 1bw5 h VAL 49 Cb 0.33 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1bw5 h VAL 49 CO -0.53 0.25 -0.13 -0.25 -1.01 0.00 0.00 177.57 175.89 1bw5 h TRP 50 N 0.00 -0.38 -0.71 3.17 7.01 -0.67 -2.41 115.95 121.96 1bw5 h TRP 50 Ca -0.00 0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.16 1bw5 h TRP 50 Cb 0.59 0.16 -0.13 0.00 -2.10 0.00 0.00 29.16 27.68 1bw5 h TRP 50 CO 0.00 -0.16 -0.08 0.74 -2.79 0.00 0.00 178.44 176.16 1bw5 h PHE 51 N -0.21 -0.19 -0.00 2.65 0.04 -1.67 -1.08 116.94 116.48 1bw5 h PHE 51 Ca -0.01 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1bw5 h PHE 51 Cb 0.20 0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 1bw5 h PHE 51 CO -0.28 -0.26 -0.01 0.37 -0.60 0.00 0.00 178.31 177.54 1bw5 h GLN 52 N 0.06 -0.00 -0.92 1.51 4.15 -1.64 -1.55 115.11 116.71 1bw5 h GLN 52 Ca 0.37 0.00 0.22 0.00 0.77 0.00 0.00 58.65 60.00 1bw5 h GLN 52 Cb 0.61 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.18 1bw5 h GLN 52 CO -0.67 -0.00 0.45 -0.91 -1.93 0.00 0.00 178.83 175.77 1bw5 h ASN 53 N -0.00 0.45 -0.95 -0.69 4.21 -0.93 -1.89 115.58 115.78 1bw5 h ASN 53 Ca 0.00 0.14 0.29 0.00 1.21 0.00 0.00 56.30 57.94 1bw5 h ASN 53 Cb 0.01 0.09 -0.16 0.00 -1.12 0.00 0.00 38.32 37.13 1bw5 h ASN 53 CO -0.01 0.06 0.29 0.50 -1.29 0.00 0.00 177.43 176.98 1bw5 h LYS 54 N 0.48 0.13 -0.94 0.81 3.11 -0.15 0.17 116.57 120.18 1bw5 h LYS 54 Ca 0.57 -0.01 0.19 0.00 -2.81 0.00 0.00 60.65 58.59 1bw5 h LYS 54 Cb 1.04 -0.03 -0.11 0.00 -1.00 0.00 0.00 32.23 32.13 1bw5 h LYS 54 CO -0.49 0.08 0.51 -0.09 -2.81 0.00 0.00 179.45 176.66 1bw5 h ARG 55 N 0.13 0.61 0.57 1.90 2.43 -1.28 0.32 114.38 119.06 1bw5 h ARG 55 Ca 0.65 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.76 1bw5 h ARG 55 Cb 1.44 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1bw5 h ARG 55 CO -0.74 0.40 -0.37 0.00 -1.51 0.00 0.00 179.97 177.75 1bw5 h LYS 57 N -0.88 1.03 -0.66 0.00 1.63 -1.53 -2.79 116.57 113.36 1bw5 h LYS 57 Ca -0.08 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.58 1bw5 h LYS 57 Cb 0.71 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.14 1bw5 h LYS 57 CO 0.07 0.85 0.43 0.22 -3.45 0.00 0.00 179.45 177.57 1bw5 h ASP 58 N 1.00 0.66 0.00 4.20 3.58 -0.27 -3.45 116.42 122.15 1bw5 h ASP 58 Ca 0.23 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1bw5 h ASP 58 Cb 0.22 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1bw5 h ASP 58 CO -0.02 0.45 0.00 1.17 -2.88 0.00 0.00 179.24 177.96 1bw5 n LYS 59 N -4.46 0.00 -3.36 0.28 3.00 -0.66 -3.49 118.16 109.46 1bw5 n LYS 59 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.21 1bw5 n LYS 59 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.10 1bw5 n LYS 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1bw5 s LYS 60 N 0.00 0.66 -0.09 1.64 -2.85 -1.26 -5.03 119.74 112.80 1bw5 s LYS 60 Ca 0.00 -1.01 -0.16 0.00 -1.00 0.00 0.00 55.97 53.80 1bw5 s LYS 60 Cb 0.00 -0.83 -0.05 0.00 -2.06 0.00 0.00 37.83 34.90 1bw5 s LYS 60 CO 0.00 -1.21 0.42 1.03 0.10 0.00 0.00 175.35 175.69 1bw5 s ARG 61 N 1.28 4.21 0.45 1.78 1.81 -1.23 -4.87 118.95 122.39 1bw5 s ARG 61 Ca 0.18 0.37 0.00 0.00 -1.72 0.00 0.00 55.73 54.56 1bw5 s ARG 61 Cb -0.15 -3.38 0.00 0.00 -0.45 0.00 0.00 34.95 30.97 1bw5 s ARG 61 CO -0.03 0.32 0.00 0.45 -0.68 0.00 0.00 175.30 175.36 1bw5 n SER 62 N 3.16 -9.35 -4.71 0.23 2.88 -1.26 -4.88 113.62 99.69 1bw5 n SER 62 Ca -0.10 1.34 -0.37 0.00 -1.33 0.00 0.00 58.87 58.41 1bw5 n SER 62 Cb 0.52 -5.12 -0.07 0.00 -0.75 0.00 0.00 64.21 58.79 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 -2.61 5.24 0.00 2.46 -1.09 -1.26 -4.97 121.20 118.97 1bw5 s ILE 63 Ca 0.00 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 1bw5 s ILE 63 Cb 0.00 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1bw5 s ILE 63 CO 0.00 0.33 0.00 0.23 -1.23 0.00 0.00 174.94 174.27 1bw5 n MET 64 N 3.83 0.00 -2.36 2.79 2.81 -1.26 -4.99 117.12 117.93 1bw5 n MET 64 Ca -0.09 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.63 1bw5 n MET 64 Cb 0.52 -0.02 -0.01 0.00 -0.71 0.00 0.00 33.22 32.99 1bw5 n MET 64 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1bw5 n MET 65 N -1.77 -1.90 -0.12 0.03 0.00 -1.26 -5.32 117.12 106.77 1bw5 n MET 65 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 57.70 58.53 1bw5 n MET 65 Cb 0.00 -5.45 0.00 0.00 0.00 0.00 0.00 33.22 27.77 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60