#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 0.00 -2.47 0.03 5.02 -1.26 -4.97 118.16 114.52 1bw5 n LYS 2 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1bw5 n LYS 2 Cb 0.00 -0.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.68 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 -1.67 3.90 -0.70 -0.18 -4.23 -1.26 -4.93 115.64 106.56 1bw5 s THR 3 Ca 0.00 0.80 -0.26 0.00 -1.18 0.00 0.00 61.69 61.05 1bw5 s THR 3 Cb 0.00 -4.53 -0.08 0.00 1.34 0.00 0.00 72.50 69.23 1bw5 s THR 3 CO 0.00 -1.19 2.21 -0.89 -0.54 0.00 0.00 174.62 174.20 1bw5 s THR 4 N 5.53 3.17 0.12 3.99 2.01 -1.26 -4.95 115.64 124.25 1bw5 s THR 4 Ca 0.49 -0.04 -0.13 0.00 0.31 0.00 0.00 61.69 62.32 1bw5 s THR 4 Cb -0.10 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1bw5 s THR 4 CO 0.26 -0.38 0.50 -0.60 -0.69 0.00 0.00 174.62 173.71 1bw5 s ARG 5 N 7.98 3.91 -0.21 4.92 3.52 -1.26 -5.06 118.95 132.74 1bw5 s ARG 5 Ca 0.84 0.39 -0.14 0.00 -0.13 0.00 0.00 55.73 56.69 1bw5 s ARG 5 Cb -0.13 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 1bw5 s ARG 5 CO 0.13 0.51 0.34 0.08 -0.81 0.00 0.00 175.30 175.55 1bw5 s VAL 6 N -1.43 5.24 0.00 7.11 1.01 -1.26 -4.92 120.40 126.15 1bw5 s VAL 6 Ca 0.36 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1bw5 s VAL 6 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1bw5 s VAL 6 CO 0.19 0.27 0.40 0.54 0.00 0.00 0.00 175.10 176.50 1bw5 n ARG 7 N 4.44 -0.58 -1.60 2.72 5.12 -1.26 -5.07 116.66 120.44 1bw5 n ARG 7 Ca -0.10 -0.42 -0.30 0.00 -1.93 0.00 0.00 57.85 55.11 1bw5 n ARG 7 Cb 0.51 -0.87 0.09 0.00 -1.16 0.00 0.00 32.46 31.03 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1bw5 s THR 8 N -0.04 3.01 0.00 0.55 -4.23 -1.26 -4.99 115.64 108.67 1bw5 s THR 8 Ca 0.00 0.33 0.10 0.00 -1.18 0.00 0.00 61.69 60.93 1bw5 s THR 8 Cb 0.00 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.89 1bw5 s THR 8 CO 0.00 -0.43 1.05 1.33 -0.54 0.00 0.00 174.62 176.03 1bw5 n VAL 9 N -3.41 0.00 -2.63 2.29 0.24 -1.26 -5.09 118.33 108.47 1bw5 n VAL 9 Ca 0.07 -0.37 -0.36 0.00 -2.04 0.00 0.00 64.34 61.64 1bw5 n VAL 9 Cb 0.57 0.67 -0.05 0.00 -1.47 0.00 0.00 33.84 33.56 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 4.10 0.00 1.34 2.01 -1.26 -5.04 118.68 119.83 1bw5 s LEU 10 Ca 0.13 1.93 0.00 0.00 0.01 0.00 0.00 54.13 56.20 1bw5 s LEU 10 Cb 0.14 -4.27 0.00 0.00 0.01 0.00 0.00 46.19 42.08 1bw5 s LEU 10 CO -0.06 -0.44 0.00 -0.46 1.01 0.00 0.00 176.35 176.39 1bw5 n ASN 11 N -0.19 0.00 -0.36 2.29 6.94 -1.26 -5.01 115.26 117.67 1bw5 n ASN 11 Ca 0.05 -0.49 0.32 0.00 -0.02 0.00 0.00 54.58 54.44 1bw5 n ASN 11 Cb 0.51 0.00 0.65 0.00 -2.36 0.00 0.00 39.78 38.58 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1bw5 h GLU 12 N 0.00 0.15 0.00 -3.83 5.08 -1.99 -1.71 114.58 112.28 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 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 1bw5 n LYS 13 N -4.40 0.00 0.30 2.33 5.02 -1.26 -3.74 118.16 116.41 1bw5 n LYS 13 Ca 0.28 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.75 1bw5 n LYS 13 Cb 1.19 -0.63 0.94 0.00 -0.02 0.00 0.00 35.03 36.50 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 0.00 -0.83 1.97 4.20 -1.97 -2.27 115.11 116.22 1bw5 h GLN 14 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1bw5 h GLN 14 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 1bw5 h GLN 14 CO 0.00 0.00 0.47 1.25 -0.67 0.00 0.00 178.83 179.88 1bw5 h LEU 15 N 0.00 0.66 -0.45 1.46 7.12 -1.40 -2.67 115.31 120.03 1bw5 h LEU 15 Ca 0.02 0.05 0.09 0.00 0.13 0.00 0.00 57.88 58.18 1bw5 h LEU 15 Cb 0.46 -0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 40.43 1bw5 h LEU 15 CO -0.00 0.36 -0.23 0.45 -0.13 0.00 0.00 178.44 178.89 1bw5 h HIS 16 N 0.77 -0.59 0.56 1.25 3.86 -1.49 0.29 115.15 119.80 1bw5 h HIS 16 Ca 0.41 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.64 1bw5 h HIS 16 Cb 0.40 0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 1bw5 h HIS 16 CO -0.06 -0.31 -0.34 1.15 0.86 0.00 0.00 177.93 179.23 1bw5 h THR 17 N -0.13 0.00 -0.94 2.45 2.02 -1.68 -2.61 112.91 112.02 1bw5 h THR 17 Ca 0.21 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.60 1bw5 h THR 17 Cb 0.47 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.80 1bw5 h THR 17 CO -0.54 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 175.89 1bw5 h LEU 18 N -0.84 0.47 -0.53 2.58 3.38 -1.49 -2.16 115.31 116.72 1bw5 h LEU 18 Ca -0.08 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1bw5 h LEU 18 Cb 0.67 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 1bw5 h LEU 18 CO 0.08 0.17 -0.15 0.03 0.09 0.00 0.00 178.44 178.66 1bw5 h ARG 19 N 0.46 -0.02 -0.31 1.13 3.08 -0.02 -1.27 114.38 117.42 1bw5 h ARG 19 Ca 0.50 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.46 1bw5 h ARG 19 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1bw5 h ARG 19 CO -0.22 -0.01 -0.18 1.15 -1.07 0.00 0.00 179.97 179.64 1bw5 h THR 20 N -0.02 1.25 0.79 2.04 2.02 -1.34 -3.24 112.91 114.41 1bw5 h THR 20 Ca 0.25 -1.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1bw5 h THR 20 Cb 0.41 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1bw5 h THR 20 CO -0.56 0.38 -0.48 0.00 0.37 0.00 0.00 175.52 175.23 1bw5 h TYR 22 N -1.20 1.00 -0.41 0.00 3.20 -1.56 0.68 116.97 118.69 1bw5 h TYR 22 Ca -0.11 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.85 1bw5 h TYR 22 Cb 0.96 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 1bw5 h TYR 22 CO -0.10 0.04 0.13 0.00 -1.64 0.00 0.00 178.16 176.60 1bw5 h ALA 23 N 1.74 0.48 -0.00 1.82 0.00 -1.53 -1.41 119.26 120.36 1bw5 h ALA 23 Ca 0.65 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1bw5 h ALA 23 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1bw5 h ALA 23 CO -0.49 -0.26 -0.51 0.00 0.00 0.00 0.00 179.25 177.99 1bw5 n ALA 24 N -2.38 3.60 -3.16 0.00 0.00 -0.21 -4.62 120.51 113.75 1bw5 n ALA 24 Ca 0.03 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 52.96 1bw5 n ALA 24 Cb 0.16 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1bw5 n ALA 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1bw5 s ASN 25 N -2.87 -0.21 0.00 0.00 -0.87 0.22 -4.98 114.94 106.24 1bw5 s ASN 25 Ca 0.14 -1.66 0.18 0.00 -1.57 0.00 0.00 52.86 49.95 1bw5 s ASN 25 Cb 0.18 1.14 0.86 0.00 -0.02 0.00 0.00 41.25 43.40 1bw5 s ASN 25 CO 0.68 -0.16 1.57 -0.81 -2.57 0.00 0.00 177.10 175.81 1bw5 n PRO 26 N 3.70 0.13 -3.33 -0.60 -0.04 -0.59 -3.81 135.00 130.47 1bw5 n PRO 26 Ca 0.16 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1bw5 n PRO 26 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.78 0.66 0.61 0.54 3.52 -1.26 -5.03 118.95 115.21 1bw5 s ARG 27 Ca 0.13 -0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 1bw5 s ARG 27 Cb 0.12 -0.54 0.13 0.00 -1.56 0.00 0.00 34.95 33.10 1bw5 s ARG 27 CO 0.31 -1.19 0.83 -0.35 -0.81 0.00 0.00 175.30 174.09 1bw5 n PRO 28 N 4.33 -0.49 -0.92 5.12 -0.04 -1.26 -5.12 135.00 136.62 1bw5 n PRO 28 Ca 0.11 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1bw5 n PRO 28 Cb 0.48 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 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 -3.33 0.00 -0.36 3.54 8.00 -1.26 -4.98 116.55 118.16 1bw5 n ASP 29 Ca 0.12 -0.86 0.37 0.00 0.71 0.00 0.00 54.79 55.13 1bw5 n ASP 29 Cb 0.41 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.23 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 1.93 3.19 -3.00 2.24 0.00 -1.99 0.25 119.26 121.88 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 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bw5 h ALA 30 CO 0.00 -1.67 0.00 -0.11 0.00 0.00 0.00 179.25 177.47 1bw5 n LEU 31 N -3.92 0.88 0.30 0.00 -0.00 -1.26 -3.81 117.00 109.19 1bw5 n LEU 31 Ca 0.28 0.30 0.16 0.00 -0.00 0.00 0.00 56.01 56.75 1bw5 n LEU 31 Cb 1.42 0.00 0.92 0.00 -0.00 0.00 0.00 43.42 45.76 1bw5 n LEU 31 CO 0.38 0.00 1.11 0.24 -0.00 0.00 0.00 177.39 179.11 1bw5 h MET 32 N 0.00 0.00 -0.44 1.96 2.86 -1.92 -3.16 114.93 114.23 1bw5 h MET 32 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 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 0.02 -0.30 0.87 1.06 0.00 0.00 176.91 178.56 1bw5 h LYS 33 N 0.00 -0.20 -0.42 1.72 1.57 -0.59 0.36 116.57 119.01 1bw5 h LYS 33 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1bw5 h LYS 33 Cb 0.06 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1bw5 h LYS 33 CO 0.00 -0.14 0.22 0.93 -0.57 0.00 0.00 179.45 179.90 1bw5 h GLU 34 N -0.21 0.58 -0.53 3.15 5.08 -1.65 -2.70 114.58 118.31 1bw5 h GLU 34 Ca 0.19 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1bw5 h GLU 34 Cb 0.52 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1bw5 h GLU 34 CO -0.56 0.48 0.34 1.96 -1.00 0.00 0.00 179.01 180.23 1bw5 h GLN 35 N 0.54 0.68 -0.76 2.33 1.08 -1.41 -2.39 115.11 115.18 1bw5 h GLN 35 Ca 0.15 -0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.47 1bw5 h GLN 35 Cb 0.07 -0.15 -0.11 0.00 -0.05 0.00 0.00 27.48 27.24 1bw5 h GLN 35 CO -0.02 0.45 0.24 -0.07 -0.95 0.00 0.00 178.83 178.48 1bw5 h LEU 36 N 0.70 0.14 -0.55 1.46 -0.00 -0.02 -0.79 115.31 116.26 1bw5 h LEU 36 Ca 0.20 0.13 0.11 0.00 -0.00 0.00 0.00 57.88 58.32 1bw5 h LEU 36 Cb -0.06 0.15 -0.10 0.00 -0.00 0.00 0.00 40.66 40.65 1bw5 h LEU 36 CO -0.05 0.01 -0.10 0.58 -0.00 0.00 0.00 178.44 178.88 1bw5 h VAL 37 N 0.34 0.48 -0.34 1.22 2.07 -1.19 0.62 116.25 119.45 1bw5 h VAL 37 Ca 0.43 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 68.04 1bw5 h VAL 37 Cb 0.72 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1bw5 h VAL 37 CO -0.48 0.01 0.25 -0.08 0.02 0.00 0.00 177.57 177.29 1bw5 h GLU 38 N 0.03 0.01 0.79 1.57 4.57 -1.18 0.81 114.58 121.17 1bw5 h GLU 38 Ca 0.27 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1bw5 h GLU 38 Cb 0.42 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1bw5 h GLU 38 CO -0.54 0.01 -0.38 1.98 -1.18 0.00 0.00 179.01 178.90 1bw5 h MET 39 N 0.01 -1.02 -0.02 1.92 4.05 -0.78 -3.31 114.93 115.78 1bw5 h MET 39 Ca 0.16 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 1bw5 h MET 39 Cb 0.64 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1bw5 h MET 39 CO -0.00 -0.68 -0.28 -2.37 0.23 0.00 0.00 176.91 173.81 1bw5 n THR 40 N -5.02 0.00 -1.30 -0.77 5.66 -1.16 -4.95 114.28 106.74 1bw5 n THR 40 Ca -0.13 -0.36 -0.10 0.00 -3.05 0.00 0.00 64.05 60.41 1bw5 n THR 40 Cb 0.42 1.34 -0.04 0.00 -1.55 0.00 0.00 70.33 70.49 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 1.36 1.13 3.88 1.09 0.00 0.28 -4.98 105.19 107.94 1bw5 n GLY 41 Ca 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.36 2.65 0.68 0.99 2.34 -1.23 -5.00 118.68 116.74 1bw5 s LEU 42 Ca 0.00 0.96 -0.11 0.00 0.06 0.00 0.00 54.13 55.04 1bw5 s LEU 42 Cb 0.00 -3.57 -0.00 0.00 -0.56 0.00 0.00 46.19 42.06 1bw5 s LEU 42 CO 0.00 -1.71 1.05 -0.94 -1.06 0.00 0.00 176.35 173.70 1bw5 s SER 43 N -4.44 5.59 0.40 1.48 1.04 -1.26 -4.81 113.70 111.71 1bw5 s SER 43 Ca 0.60 1.55 0.19 0.00 0.48 0.00 0.00 55.95 58.78 1bw5 s SER 43 Cb -0.11 -2.47 0.83 0.00 0.10 0.00 0.00 66.02 64.37 1bw5 s SER 43 CO 0.51 -1.30 1.81 1.55 0.98 0.00 0.00 173.24 176.79 1bw5 h PRO 44 N -0.62 0.00 0.09 4.02 0.13 -1.98 -3.22 132.00 130.43 1bw5 h PRO 44 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1bw5 h PRO 44 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1bw5 h PRO 44 CO 0.58 0.33 -0.20 -0.09 -0.23 0.00 0.00 178.00 178.39 1bw5 h ARG 45 N 0.00 -0.36 -0.50 0.86 9.65 -2.02 -2.46 114.38 119.56 1bw5 h ARG 45 Ca -0.00 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1bw5 h ARG 45 Cb 0.75 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.39 1bw5 h ARG 45 CO 0.04 -0.24 0.23 0.28 2.80 0.00 0.00 179.97 183.08 1bw5 h VAL 46 N -0.37 1.17 0.10 0.20 2.07 -1.96 -3.14 116.25 114.33 1bw5 h VAL 46 Ca 0.03 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1bw5 h VAL 46 Cb 0.40 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1bw5 h VAL 46 CO -0.12 0.20 -0.37 0.40 0.02 0.00 0.00 177.57 177.71 1bw5 h ILE 47 N 0.70 0.00 0.28 4.57 1.08 -1.46 0.11 117.51 122.79 1bw5 h ILE 47 Ca 0.17 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.65 1bw5 h ILE 47 Cb 0.09 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.81 1bw5 h ILE 47 CO -0.02 0.00 -0.38 0.03 -0.69 0.00 0.00 178.15 177.09 1bw5 h ARG 48 N -0.54 -0.69 -0.02 2.37 3.08 -1.52 -2.71 114.38 114.36 1bw5 h ARG 48 Ca -0.01 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1bw5 h ARG 48 Cb 0.53 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1bw5 h ARG 48 CO -0.19 -0.46 -0.04 -0.24 -1.07 0.00 0.00 179.97 177.98 1bw5 h VAL 49 N -0.71 1.04 0.47 2.04 3.04 -1.49 -2.99 116.25 117.64 1bw5 h VAL 49 Ca -0.01 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 1bw5 h VAL 49 Cb 0.68 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 1bw5 h VAL 49 CO -0.13 0.05 -0.23 -0.25 -1.01 0.00 0.00 177.57 176.01 1bw5 h TRP 50 N 0.02 -0.59 -0.99 3.17 7.01 -0.44 -3.00 115.95 121.13 1bw5 h TRP 50 Ca 0.01 -0.01 0.24 0.00 2.11 0.00 0.00 58.89 61.23 1bw5 h TRP 50 Cb 0.08 0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.25 1bw5 h TRP 50 CO 0.00 -0.37 0.65 0.74 -2.79 0.00 0.00 178.44 176.67 1bw5 h PHE 51 N -0.63 0.59 0.00 2.65 0.04 -1.54 -2.90 116.94 115.15 1bw5 h PHE 51 Ca -0.06 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1bw5 h PHE 51 Cb 0.49 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1bw5 h PHE 51 CO 0.12 0.10 0.00 0.94 -0.60 0.00 0.00 178.31 178.87 1bw5 n GLN 52 N -4.56 0.00 -0.22 1.51 7.27 -1.13 -2.26 117.38 117.98 1bw5 n GLN 52 Ca 0.23 0.31 0.24 0.00 0.07 0.00 0.00 57.00 57.85 1bw5 n GLN 52 Cb 0.82 -1.04 0.61 0.00 2.41 0.00 0.00 30.24 33.04 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 0.22 -1.08 1.69 7.08 -1.59 -1.09 115.58 120.82 1bw5 h ASN 53 Ca 0.00 0.03 0.30 0.00 -3.08 0.00 0.00 56.30 53.55 1bw5 h ASN 53 Cb 0.00 -0.01 -0.11 0.00 -2.08 0.00 0.00 38.32 36.11 1bw5 h ASN 53 CO 0.00 0.08 0.67 0.50 -2.08 0.00 0.00 177.43 176.60 1bw5 h LYS 54 N 0.22 0.35 0.07 4.14 3.11 -1.24 -1.78 116.57 121.44 1bw5 h LYS 54 Ca 0.47 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1bw5 h LYS 54 Cb 1.47 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.60 1bw5 h LYS 54 CO -0.11 0.23 -0.23 0.00 -2.81 0.00 0.00 179.45 176.53 1bw5 h ARG 55 N 0.36 -0.33 -0.59 1.90 3.08 -1.09 0.54 114.38 118.25 1bw5 h ARG 55 Ca 0.66 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.81 1bw5 h ARG 55 Cb 1.67 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.73 1bw5 h ARG 55 CO -0.40 -0.22 0.26 0.00 -1.07 0.00 0.00 179.97 178.54 1bw5 h LYS 57 N 0.48 0.52 -0.44 0.00 1.63 -1.12 -2.71 116.57 114.93 1bw5 h LYS 57 Ca 0.28 -0.10 -0.06 0.00 -0.85 0.00 0.00 60.65 59.92 1bw5 h LYS 57 Cb 0.28 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1bw5 h LYS 57 CO -0.24 0.53 0.06 0.22 -3.45 0.00 0.00 179.45 176.57 1bw5 h ASP 58 N 0.50 0.72 -6.87 4.20 3.58 0.11 -3.47 116.42 115.19 1bw5 h ASP 58 Ca 0.11 -0.27 -0.41 0.00 0.42 0.00 0.00 57.03 56.88 1bw5 h ASP 58 Cb 0.29 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.09 1bw5 h ASP 58 CO 0.01 0.81 -0.67 1.17 -2.88 0.00 0.00 179.24 177.68 1bw5 n LYS 59 N -4.45 -0.65 0.00 0.28 3.00 -0.92 -2.07 118.16 113.35 1bw5 n LYS 59 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1bw5 n LYS 59 Cb 0.26 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.59 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 -3.62 0.00 -2.91 1.64 4.81 -1.26 -4.64 118.16 112.19 1bw5 n LYS 60 Ca -0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.22 1bw5 n LYS 60 Cb 0.41 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.50 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1bw5 n ARG 61 N 0.00 -1.66 -0.59 1.64 0.63 -0.88 -5.00 116.66 110.81 1bw5 n ARG 61 Ca 0.00 0.88 -0.30 0.00 -0.92 0.00 0.00 57.85 57.51 1bw5 n ARG 61 Cb 0.00 -5.08 0.27 0.00 0.45 0.00 0.00 32.46 28.11 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1bw5 s SER 62 N -3.19 -0.42 0.03 6.15 0.01 -1.26 -4.94 113.70 110.07 1bw5 s SER 62 Ca 0.28 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 58.05 1bw5 s SER 62 Cb -0.04 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 1bw5 s SER 62 CO 0.61 -4.97 1.01 -0.63 0.41 0.00 0.00 173.24 169.67 1bw5 s ILE 63 N -2.50 4.69 0.47 1.44 1.01 -1.26 -5.03 121.20 120.02 1bw5 s ILE 63 Ca 0.69 1.98 -0.20 0.00 0.00 0.00 0.00 60.65 63.12 1bw5 s ILE 63 Cb -0.13 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 1bw5 s ILE 63 CO 0.58 0.18 1.00 -0.04 0.00 0.00 0.00 174.94 176.66 1bw5 s MET 64 N 0.83 3.96 -0.30 2.79 -1.94 -1.26 -5.02 119.30 118.36 1bw5 s MET 64 Ca 0.52 1.25 -0.17 0.00 -1.71 0.00 0.00 55.69 55.58 1bw5 s MET 64 Cb -0.23 -2.13 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 1bw5 s MET 64 CO 0.29 -0.28 0.47 -1.64 -0.01 0.00 0.00 175.02 173.85 1bw5 s MET 65 N -3.25 3.89 0.00 2.03 1.00 -1.26 -5.33 119.30 116.37 1bw5 s MET 65 Ca 0.65 0.07 0.00 0.00 0.00 0.00 0.00 55.69 56.41 1bw5 s MET 65 Cb -0.13 -3.71 0.00 0.00 0.00 0.00 0.00 34.83 30.99 1bw5 s MET 65 CO 0.18 -0.44 0.00 1.63 0.00 0.00 0.00 175.02 176.39