#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 -3.90 -2.59 3.17 5.02 -1.26 -4.76 118.16 113.83 1bw5 n LYS 2 Ca 0.00 3.02 -0.43 0.00 -2.02 0.00 0.00 58.31 58.89 1bw5 n LYS 2 Cb 0.00 -4.74 -0.00 0.00 -0.02 0.00 0.00 35.03 30.27 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bw5 s THR 3 N -0.94 4.13 -1.06 -0.18 -4.23 -1.26 -4.40 115.64 107.71 1bw5 s THR 3 Ca -0.17 -1.84 -0.18 0.00 -1.18 0.00 0.00 61.69 58.32 1bw5 s THR 3 Cb 0.01 -5.18 0.00 0.00 1.34 0.00 0.00 72.50 68.68 1bw5 s THR 3 CO 0.71 -2.01 0.73 0.41 -0.54 0.00 0.00 174.62 173.93 1bw5 n THR 4 N 6.39 -5.27 -3.35 3.99 -1.04 -1.26 -4.95 114.28 108.79 1bw5 n THR 4 Ca 0.47 -0.66 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 1bw5 n THR 4 Cb 0.46 -3.98 -0.04 0.00 -1.82 0.00 0.00 70.33 64.96 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1bw5 s ARG 5 N -5.78 3.67 0.34 -2.82 0.52 -1.26 -5.07 118.95 108.54 1bw5 s ARG 5 Ca 0.35 0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.50 1bw5 s ARG 5 Cb -0.14 -2.65 -0.08 0.00 0.52 0.00 0.00 34.95 32.60 1bw5 s ARG 5 CO 0.88 0.23 0.73 0.54 0.02 0.00 0.00 175.30 177.70 1bw5 s VAL 6 N -2.03 4.74 -0.31 3.52 0.11 -1.26 -5.05 120.40 120.12 1bw5 s VAL 6 Ca 0.45 0.80 -0.10 0.00 -2.93 0.00 0.00 61.98 60.20 1bw5 s VAL 6 Cb -0.11 -3.65 0.19 0.00 -1.53 0.00 0.00 36.38 31.28 1bw5 s VAL 6 CO 0.28 -0.29 1.02 -0.60 -3.33 0.00 0.00 175.10 172.18 1bw5 s ARG 7 N -3.26 0.18 0.14 1.54 3.00 -1.26 -5.18 118.95 114.11 1bw5 s ARG 7 Ca 0.53 0.10 -0.13 0.00 -1.00 0.00 0.00 55.73 55.22 1bw5 s ARG 7 Cb -0.10 0.06 0.05 0.00 0.00 0.00 0.00 34.95 34.96 1bw5 s ARG 7 CO 0.22 -0.32 0.64 0.25 0.00 0.00 0.00 175.30 176.10 1bw5 n THR 8 N 4.77 0.00 -2.69 4.11 -2.24 -1.26 -5.08 114.28 111.88 1bw5 n THR 8 Ca 0.08 -0.41 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 1bw5 n THR 8 Cb 0.59 0.52 0.08 0.00 -2.10 0.00 0.00 70.33 69.42 1bw5 n THR 8 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1bw5 n VAL 9 N -0.45 0.47 -2.56 2.28 0.24 -1.26 -5.12 118.33 111.93 1bw5 n VAL 9 Ca -0.02 -2.20 -0.39 0.00 -2.04 0.00 0.00 64.34 59.69 1bw5 n VAL 9 Cb 0.38 0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 33.57 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 -3.23 4.42 0.00 1.34 2.01 -1.26 -5.00 118.68 116.95 1bw5 s LEU 10 Ca 0.24 2.11 0.00 0.00 0.01 0.00 0.00 54.13 56.49 1bw5 s LEU 10 Cb 0.42 -3.83 0.00 0.00 0.01 0.00 0.00 46.19 42.79 1bw5 s LEU 10 CO -0.03 -0.20 0.00 -0.46 1.01 0.00 0.00 176.35 176.66 1bw5 n ASN 11 N 0.78 0.00 0.22 2.29 0.23 -1.26 -4.97 115.26 112.55 1bw5 n ASN 11 Ca 0.01 -0.68 0.14 0.00 -0.53 0.00 0.00 54.58 53.52 1bw5 n ASN 11 Cb 0.47 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 38.94 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 -1.98 -2.05 114.58 111.53 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 1.63 -0.73 0.00 0.00 179.01 179.91 1bw5 n LYS 13 N -4.14 0.00 -0.24 1.92 5.02 -1.26 -2.92 118.16 116.54 1bw5 n LYS 13 Ca -0.00 0.30 -0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1bw5 n LYS 13 Cb 0.22 -0.97 0.12 0.00 -0.02 0.00 0.00 35.03 34.37 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 0.62 0.31 1.97 7.50 -1.95 -2.71 115.11 120.85 1bw5 h GLN 14 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1bw5 h GLN 14 Cb 0.00 -0.14 -0.03 0.00 0.05 0.00 0.00 27.48 27.36 1bw5 h GLN 14 CO 0.00 0.41 -0.37 1.25 -1.50 0.00 0.00 178.83 178.62 1bw5 h LEU 15 N 0.64 -1.02 -0.83 1.46 7.12 -1.54 -2.62 115.31 118.51 1bw5 h LEU 15 Ca 0.33 0.09 0.17 0.00 0.13 0.00 0.00 57.88 58.60 1bw5 h LEU 15 Cb 0.28 0.35 -0.10 0.00 -0.53 0.00 0.00 40.66 40.66 1bw5 h LEU 15 CO -0.23 -0.50 0.37 -0.74 -0.13 0.00 0.00 178.44 177.21 1bw5 h HIS 16 N -0.73 0.63 0.00 1.25 2.76 -1.38 -1.94 115.15 115.75 1bw5 h HIS 16 Ca -0.01 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1bw5 h HIS 16 Cb 0.67 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.48 1bw5 h HIS 16 CO -0.24 0.07 -0.00 1.15 -1.30 0.00 0.00 177.93 177.61 1bw5 h THR 17 N 0.49 0.00 -0.68 6.26 2.02 -1.16 -2.60 112.91 117.23 1bw5 h THR 17 Ca 0.47 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.85 1bw5 h THR 17 Cb 0.76 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1bw5 h THR 17 CO -0.43 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 175.93 1bw5 h LEU 18 N -0.00 0.00 -0.66 2.58 3.38 -1.48 -2.01 115.31 117.12 1bw5 h LEU 18 Ca -0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1bw5 h LEU 18 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1bw5 h LEU 18 CO 0.00 0.00 -0.09 -0.09 0.09 0.00 0.00 178.44 178.35 1bw5 h ARG 19 N 0.00 0.04 0.00 1.13 1.12 -0.94 0.42 114.38 116.15 1bw5 h ARG 19 Ca 0.32 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.13 1bw5 h ARG 19 Cb 1.40 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.35 1bw5 h ARG 19 CO -0.00 0.03 -0.27 0.00 -3.11 0.00 0.00 179.97 176.62 1bw5 h THR 20 N 0.04 0.93 0.97 0.20 1.03 -1.39 -3.19 112.91 111.50 1bw5 h THR 20 Ca 0.33 -1.02 -0.05 0.00 -0.01 0.00 0.00 66.41 65.67 1bw5 h THR 20 Cb 0.53 1.59 0.01 0.00 -1.07 0.00 0.00 68.15 69.22 1bw5 h THR 20 CO -0.64 0.26 -0.47 0.00 -0.01 0.00 0.00 175.52 174.67 1bw5 h TYR 22 N -1.31 0.03 -0.12 0.00 3.20 -1.47 0.40 116.97 117.71 1bw5 h TYR 22 Ca -0.13 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1bw5 h TYR 22 Cb 1.00 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 1bw5 h TYR 22 CO 0.01 -0.20 0.23 0.00 -1.64 0.00 0.00 178.16 176.55 1bw5 h ALA 23 N 1.67 1.54 0.02 1.82 0.00 -1.56 -0.90 119.26 121.85 1bw5 h ALA 23 Ca 0.41 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.00 1bw5 h ALA 23 Cb 0.72 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1bw5 h ALA 23 CO -0.62 -0.29 -1.85 0.00 0.00 0.00 0.00 179.25 176.49 1bw5 n ALA 24 N -2.15 1.41 -3.30 0.00 0.00 0.13 -4.91 120.51 111.69 1bw5 n ALA 24 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 53.44 52.65 1bw5 n ALA 24 Cb 0.32 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 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 -6.16 -0.92 0.00 0.00 3.84 -0.35 -5.00 114.94 106.35 1bw5 s ASN 25 Ca -0.08 0.83 0.21 0.00 0.21 0.00 0.00 52.86 54.02 1bw5 s ASN 25 Cb 0.08 1.87 1.24 0.00 -0.55 0.00 0.00 41.25 43.89 1bw5 s ASN 25 CO 0.81 -0.17 1.69 -0.81 -2.79 0.00 0.00 177.10 175.83 1bw5 n PRO 26 N 5.34 0.83 -3.29 0.43 -0.04 -1.22 -4.34 135.00 132.71 1bw5 n PRO 26 Ca -0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 1bw5 n PRO 26 Cb 0.52 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.70 0.31 0.54 0.52 -1.26 -5.05 118.95 112.71 1bw5 s ARG 27 Ca 0.31 -0.52 -0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1bw5 s ARG 27 Cb 0.14 -0.34 0.07 0.00 0.52 0.00 0.00 34.95 35.34 1bw5 s ARG 27 CO 0.24 -1.18 0.43 -0.35 0.02 0.00 0.00 175.30 174.46 1bw5 n PRO 28 N 4.41 -0.03 -0.62 3.54 -0.04 -1.26 -5.12 135.00 135.88 1bw5 n PRO 28 Ca 0.10 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1bw5 n PRO 28 Cb 0.50 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 1bw5 n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bw5 n ASP 29 N -3.13 0.00 0.21 3.54 8.00 -1.26 -4.99 116.55 118.92 1bw5 n ASP 29 Ca 0.06 -0.48 0.17 0.00 0.71 0.00 0.00 54.79 55.25 1bw5 n ASP 29 Cb 0.22 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.04 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 1.72 1.78 -3.00 2.24 0.00 -2.00 -1.76 119.26 118.24 1bw5 h ALA 30 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bw5 h ALA 30 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1bw5 h ALA 30 CO 0.00 -0.58 0.00 1.28 0.00 0.00 0.00 179.25 179.95 1bw5 n LEU 31 N -3.22 1.21 -0.12 0.00 4.77 -1.26 -3.99 117.00 114.39 1bw5 n LEU 31 Ca 0.03 0.25 0.16 0.00 -0.03 0.00 0.00 56.01 56.43 1bw5 n LEU 31 Cb 0.57 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 42.21 1bw5 n LEU 31 CO 0.19 0.00 1.20 0.24 -1.33 0.00 0.00 177.39 177.69 1bw5 h MET 32 N 0.00 0.31 -1.04 3.23 2.86 -1.93 -2.14 114.93 116.22 1bw5 h MET 32 Ca 0.00 -0.02 0.30 0.00 -2.06 0.00 0.00 59.70 57.92 1bw5 h MET 32 Cb 0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 1bw5 h MET 32 CO 0.00 0.20 0.77 1.57 1.06 0.00 0.00 176.91 180.52 1bw5 h LYS 33 N 0.32 0.00 0.01 1.72 5.09 -1.45 -1.66 116.57 120.60 1bw5 h LYS 33 Ca 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.07 1bw5 h LYS 33 Cb 0.86 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.19 1bw5 h LYS 33 CO -0.09 0.00 -0.01 1.49 -2.09 0.00 0.00 179.45 178.76 1bw5 h GLU 34 N 0.00 -0.02 -0.70 0.07 4.81 -1.51 -3.18 114.58 114.05 1bw5 h GLU 34 Ca 0.49 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.81 1bw5 h GLU 34 Cb 2.03 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.37 1bw5 h GLU 34 CO -0.01 -0.01 0.46 -0.56 -0.73 0.00 0.00 179.01 178.16 1bw5 h GLN 35 N -0.02 0.59 -0.88 1.92 3.07 -1.70 -2.04 115.11 116.05 1bw5 h GLN 35 Ca -0.00 -0.04 0.21 0.00 0.09 0.00 0.00 58.65 58.91 1bw5 h GLN 35 Cb 0.01 -0.13 -0.12 0.00 0.08 0.00 0.00 27.48 27.32 1bw5 h GLN 35 CO 0.00 0.39 0.36 -0.07 0.09 0.00 0.00 178.83 179.61 1bw5 h LEU 36 N 0.61 0.29 -0.59 0.06 -0.00 -1.36 0.15 115.31 114.47 1bw5 h LEU 36 Ca 0.32 0.15 0.05 0.00 -0.00 0.00 0.00 57.88 58.40 1bw5 h LEU 36 Cb 0.44 0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 41.19 1bw5 h LEU 36 CO -0.11 -0.01 0.32 0.58 -0.00 0.00 0.00 178.44 179.22 1bw5 h VAL 37 N 0.38 0.96 -0.97 1.22 2.07 -1.34 -1.97 116.25 116.60 1bw5 h VAL 37 Ca 0.54 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 68.00 1bw5 h VAL 37 Cb 1.01 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 1bw5 h VAL 37 CO -0.53 0.11 0.59 -0.33 0.02 0.00 0.00 177.57 177.43 1bw5 h GLU 38 N 0.60 0.82 0.40 1.57 4.39 -0.79 1.65 114.58 123.23 1bw5 h GLU 38 Ca 0.26 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1bw5 h GLU 38 Cb 0.16 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1bw5 h GLU 38 CO -0.17 0.54 -0.19 1.98 -1.16 0.00 0.00 179.01 180.01 1bw5 h MET 39 N 0.85 -0.52 -0.01 2.33 4.05 -1.19 -3.26 114.93 117.18 1bw5 h MET 39 Ca 0.52 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.97 1bw5 h MET 39 Cb 0.66 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 1bw5 h MET 39 CO -0.32 -0.26 -0.42 -2.37 0.23 0.00 0.00 176.91 173.77 1bw5 n THR 40 N -5.26 0.00 -0.67 -0.77 5.66 -1.06 -4.92 114.28 107.26 1bw5 n THR 40 Ca -0.11 -0.17 -0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1bw5 n THR 40 Cb 0.27 0.82 -0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 1.39 0.01 3.94 1.09 0.00 0.56 -4.91 105.19 107.28 1bw5 n GLY 41 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.03 3.17 0.76 0.99 1.02 -1.25 -5.01 118.68 118.32 1bw5 s LEU 42 Ca 0.00 0.34 -0.11 0.00 0.02 0.00 0.00 54.13 54.38 1bw5 s LEU 42 Cb 0.00 -3.13 0.05 0.00 0.02 0.00 0.00 46.19 43.13 1bw5 s LEU 42 CO 0.00 -1.21 1.08 -0.55 0.02 0.00 0.00 176.35 175.69 1bw5 s SER 43 N -4.40 4.75 0.52 2.29 0.15 -1.26 -4.81 113.70 110.93 1bw5 s SER 43 Ca 0.56 1.57 0.31 0.00 0.70 0.00 0.00 55.95 59.09 1bw5 s SER 43 Cb -0.10 -2.35 1.20 0.00 -1.71 0.00 0.00 66.02 63.06 1bw5 s SER 43 CO 0.42 -1.84 1.92 1.55 1.20 0.00 0.00 173.24 176.49 1bw5 h PRO 44 N -1.00 0.00 0.15 5.44 0.13 -1.97 -3.25 132.00 131.49 1bw5 h PRO 44 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1bw5 h PRO 44 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1bw5 h PRO 44 CO 0.56 0.04 -0.38 0.00 -0.23 0.00 0.00 178.00 178.00 1bw5 h ARG 45 N 0.00 -0.60 0.00 0.86 3.08 -2.02 -1.76 114.38 113.94 1bw5 h ARG 45 Ca -0.00 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1bw5 h ARG 45 Cb 0.60 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1bw5 h ARG 45 CO 0.01 -0.40 -0.23 0.28 -1.07 0.00 0.00 179.97 178.55 1bw5 h VAL 46 N -0.63 1.01 -0.28 2.04 2.07 -1.96 -3.04 116.25 115.46 1bw5 h VAL 46 Ca 0.02 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1bw5 h VAL 46 Cb 0.65 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1bw5 h VAL 46 CO -0.21 0.22 0.16 0.40 0.02 0.00 0.00 177.57 178.17 1bw5 h ILE 47 N 0.00 1.11 0.40 4.57 1.08 -1.40 -2.43 117.51 120.85 1bw5 h ILE 47 Ca -0.00 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1bw5 h ILE 47 Cb 0.45 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1bw5 h ILE 47 CO 0.03 0.11 -0.42 -0.09 -0.69 0.00 0.00 178.15 177.09 1bw5 h ARG 48 N 0.35 -0.80 -0.75 2.37 2.43 -1.33 -2.67 114.38 113.98 1bw5 h ARG 48 Ca 0.10 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.43 1bw5 h ARG 48 Cb 0.04 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 1bw5 h ARG 48 CO -0.02 -0.53 0.49 -0.24 -1.51 0.00 0.00 179.97 178.16 1bw5 h VAL 49 N -0.83 0.91 0.23 0.20 3.04 -1.64 -3.01 116.25 115.15 1bw5 h VAL 49 Ca -0.05 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1bw5 h VAL 49 Cb 0.72 0.25 -0.03 0.00 -2.01 0.00 0.00 31.29 30.22 1bw5 h VAL 49 CO -0.07 0.11 -0.43 -0.25 -1.01 0.00 0.00 177.57 175.92 1bw5 h TRP 50 N 0.61 -1.24 -0.98 3.17 7.01 -1.07 -2.09 115.95 121.36 1bw5 h TRP 50 Ca 0.35 0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.51 1bw5 h TRP 50 Cb 0.53 0.51 -0.09 0.00 -2.10 0.00 0.00 29.16 28.02 1bw5 h TRP 50 CO -0.00 -0.52 0.62 0.74 -2.79 0.00 0.00 178.44 176.48 1bw5 h PHE 51 N -0.71 1.07 0.00 2.65 0.04 -1.47 -2.61 116.94 115.91 1bw5 h PHE 51 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bw5 h PHE 51 Cb 0.67 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1bw5 h PHE 51 CO -0.35 0.38 0.00 0.94 -0.60 0.00 0.00 178.31 178.69 1bw5 n GLN 52 N -4.63 0.00 -0.30 1.51 7.27 -0.80 -2.11 117.38 118.32 1bw5 n GLN 52 Ca 0.19 0.57 0.14 0.00 0.07 0.00 0.00 57.00 57.97 1bw5 n GLN 52 Cb 0.42 -1.27 0.38 0.00 2.41 0.00 0.00 30.24 32.18 1bw5 n GLN 52 CO 0.00 0.00 0.00 -2.95 0.07 0.00 0.00 177.06 174.18 1bw5 h ASN 53 N 0.00 0.66 -0.90 1.69 7.08 -1.48 -2.50 115.58 120.12 1bw5 h ASN 53 Ca 0.00 0.06 0.20 0.00 -3.08 0.00 0.00 56.30 53.48 1bw5 h ASN 53 Cb 0.00 -0.07 -0.17 0.00 -2.08 0.00 0.00 38.32 36.00 1bw5 h ASN 53 CO 0.00 0.29 -0.14 0.50 -2.08 0.00 0.00 177.43 175.99 1bw5 h LYS 54 N 0.67 0.01 0.10 4.14 1.63 -1.02 -1.02 116.57 121.07 1bw5 h LYS 54 Ca 0.50 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.32 1bw5 h LYS 54 Cb 0.87 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.45 1bw5 h LYS 54 CO -0.26 0.01 -0.46 -0.09 -3.45 0.00 0.00 179.45 175.20 1bw5 h ARG 55 N 0.01 -0.65 -0.24 1.90 2.43 -1.32 0.17 114.38 116.69 1bw5 h ARG 55 Ca 0.47 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.72 1bw5 h ARG 55 Cb 0.79 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 1bw5 h ARG 55 CO -0.90 -0.44 -0.03 0.00 -1.51 0.00 0.00 179.97 177.10 1bw5 h LYS 57 N 0.04 0.58 -7.01 0.00 3.11 -0.97 -3.43 116.57 108.89 1bw5 h LYS 57 Ca 0.11 -0.04 -0.42 0.00 -2.81 0.00 0.00 60.65 57.50 1bw5 h LYS 57 Cb 0.16 -0.13 0.22 0.00 -1.00 0.00 0.00 32.23 31.48 1bw5 h LYS 57 CO -0.21 0.39 -0.18 -3.47 -2.81 0.00 0.00 179.45 173.17 1bw5 n ASP 58 N -4.80 -2.47 -1.14 4.20 2.03 0.57 -4.76 116.55 110.18 1bw5 n ASP 58 Ca 0.03 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 54.99 1bw5 n ASP 58 Cb 0.06 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 1bw5 n ASP 58 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1bw5 n LYS 59 N -4.85 0.00 0.00 -0.67 0.00 -1.26 -4.97 118.16 106.41 1bw5 n LYS 59 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1bw5 n LYS 59 Cb 0.56 -0.92 0.00 0.00 0.00 0.00 0.00 35.03 34.67 1bw5 n LYS 59 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1bw5 n LYS 60 N -0.16 0.00 -0.95 1.64 2.85 -1.26 -5.02 118.16 115.26 1bw5 n LYS 60 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 1bw5 n LYS 60 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1bw5 n ARG 61 N 0.00 2.52 -3.30 -1.58 0.63 -1.26 -4.80 116.66 108.87 1bw5 n ARG 61 Ca 0.00 -1.72 -0.47 0.00 -0.92 0.00 0.00 57.85 54.75 1bw5 n ARG 61 Cb 0.00 -2.60 -0.03 0.00 0.45 0.00 0.00 32.46 30.28 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1bw5 s SER 62 N 3.16 6.59 -0.24 6.15 1.04 -1.26 -5.02 113.70 124.12 1bw5 s SER 62 Ca 0.49 -2.40 -0.06 0.00 0.48 0.00 0.00 55.95 54.46 1bw5 s SER 62 Cb 0.13 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 1bw5 s SER 62 CO -0.03 -0.68 0.04 -0.63 0.98 0.00 0.00 173.24 172.92 1bw5 s ILE 63 N 0.70 4.11 0.25 -1.02 1.01 -1.26 -5.02 121.20 119.98 1bw5 s ILE 63 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1bw5 s ILE 63 Cb -0.16 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1bw5 s ILE 63 CO -0.05 0.36 0.00 0.23 0.00 0.00 0.00 174.94 175.48 1bw5 n MET 64 N 4.84 -2.11 -1.68 2.79 2.81 -1.26 -4.50 117.12 118.00 1bw5 n MET 64 Ca -0.17 1.42 -0.50 0.00 -1.81 0.00 0.00 57.70 56.64 1bw5 n MET 64 Cb 0.51 -2.58 -0.05 0.00 -0.71 0.00 0.00 33.22 30.39 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 -3.24 1.97 -0.36 0.03 0.00 -1.26 -5.24 117.12 109.01 1bw5 n MET 65 Ca 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 57.70 58.42 1bw5 n MET 65 Cb 0.62 -2.52 0.00 0.00 0.00 0.00 0.00 33.22 31.32 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60