#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 2.16 -3.34 0.03 2.85 -1.26 -5.04 118.16 113.56 1bw5 n LYS 2 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1bw5 n LYS 2 Cb 0.00 -0.74 -0.06 0.00 -0.65 0.00 0.00 35.03 33.58 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1bw5 s THR 3 N -1.37 5.12 0.31 0.58 -4.23 -1.26 -5.05 115.64 109.75 1bw5 s THR 3 Ca 0.00 0.96 -0.29 0.00 -1.18 0.00 0.00 61.69 61.18 1bw5 s THR 3 Cb 0.00 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 69.93 1bw5 s THR 3 CO 0.00 0.39 1.22 0.42 -0.54 0.00 0.00 174.62 176.11 1bw5 s THR 4 N 0.19 3.05 1.02 3.99 -4.23 -1.26 -5.01 115.64 113.39 1bw5 s THR 4 Ca 0.26 1.05 -0.16 0.00 -1.18 0.00 0.00 61.69 61.67 1bw5 s THR 4 Cb -0.16 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.26 1bw5 s THR 4 CO 0.12 0.25 0.55 0.54 -0.54 0.00 0.00 174.62 175.54 1bw5 n ARG 5 N 0.96 -3.01 -1.50 3.99 1.74 -1.26 -4.91 116.66 112.66 1bw5 n ARG 5 Ca -0.01 -0.93 -0.33 0.00 -0.77 0.00 0.00 57.85 55.82 1bw5 n ARG 5 Cb 0.43 -1.38 0.07 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.82 3.03 -1.09 1.55 0.11 -1.26 -4.90 120.40 116.02 1bw5 s VAL 6 Ca 0.43 0.43 -0.21 0.00 -2.93 0.00 0.00 61.98 59.70 1bw5 s VAL 6 Cb -0.08 -2.92 0.06 0.00 -1.53 0.00 0.00 36.38 31.92 1bw5 s VAL 6 CO 0.36 -0.34 1.50 -0.13 -3.33 0.00 0.00 175.10 173.16 1bw5 s ARG 7 N -4.31 3.70 0.25 1.54 1.81 -1.26 -4.98 118.95 115.69 1bw5 s ARG 7 Ca 0.67 -1.40 -0.26 0.00 -1.72 0.00 0.00 55.73 53.02 1bw5 s ARG 7 Cb -0.21 -5.37 -0.09 0.00 -0.45 0.00 0.00 34.95 28.82 1bw5 s ARG 7 CO 0.47 -2.19 0.88 0.95 -0.68 0.00 0.00 175.30 174.72 1bw5 s THR 8 N 4.61 4.25 -0.01 0.02 -4.23 -1.26 -4.95 115.64 114.08 1bw5 s THR 8 Ca 0.47 1.80 0.01 0.00 -1.18 0.00 0.00 61.69 62.79 1bw5 s THR 8 Cb 0.01 -4.11 0.02 0.00 1.34 0.00 0.00 72.50 69.76 1bw5 s THR 8 CO -0.05 0.34 0.77 1.33 -0.54 0.00 0.00 174.62 176.46 1bw5 n VAL 9 N 1.07 0.25 -2.99 2.29 0.24 -1.26 -5.07 118.33 112.86 1bw5 n VAL 9 Ca -0.01 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.34 61.61 1bw5 n VAL 9 Cb 0.49 0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 33.50 1bw5 n VAL 9 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1bw5 s LEU 10 N -0.32 4.47 0.00 1.34 1.98 -1.26 -4.98 118.68 119.92 1bw5 s LEU 10 Ca 0.02 1.48 0.00 0.00 -2.89 0.00 0.00 54.13 52.74 1bw5 s LEU 10 Cb 0.02 -3.23 0.00 0.00 0.66 0.00 0.00 46.19 43.64 1bw5 s LEU 10 CO 0.00 0.05 0.00 -0.46 -1.89 0.00 0.00 176.35 174.05 1bw5 n ASN 11 N 2.60 0.00 -0.26 3.68 0.23 -1.26 -4.98 115.26 115.26 1bw5 n ASN 11 Ca -0.03 -0.50 0.25 0.00 -0.53 0.00 0.00 54.58 53.77 1bw5 n ASN 11 Cb 0.50 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.81 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 0.22 0.02 -3.83 4.39 -1.98 0.07 114.58 113.46 1bw5 h GLU 12 Ca 0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1bw5 h GLU 12 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1bw5 h GLU 12 CO 0.00 0.15 -0.01 0.87 -1.16 0.00 0.00 179.01 178.86 1bw5 h LYS 13 N 0.23 -0.02 0.00 2.33 1.79 -1.98 -3.22 116.57 115.69 1bw5 h LYS 13 Ca 0.51 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.96 1bw5 h LYS 13 Cb 1.60 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1bw5 h LYS 13 CO -0.14 -0.01 -0.13 1.96 -1.08 0.00 0.00 179.45 180.04 1bw5 h GLN 14 N -0.04 0.00 -0.39 3.15 4.20 -1.92 -2.99 115.11 117.12 1bw5 h GLN 14 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1bw5 h GLN 14 Cb 0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1bw5 h GLN 14 CO 0.00 0.13 0.21 1.25 -0.67 0.00 0.00 178.83 179.75 1bw5 h LEU 15 N 0.00 0.31 -0.25 1.46 7.12 -1.09 -2.70 115.31 120.17 1bw5 h LEU 15 Ca -0.00 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.08 1bw5 h LEU 15 Cb 0.26 -0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.26 1bw5 h LEU 15 CO 0.02 0.23 -0.29 -0.74 -0.13 0.00 0.00 178.44 177.52 1bw5 h HIS 16 N 0.42 -0.80 0.36 1.25 2.76 -1.53 -1.31 115.15 116.30 1bw5 h HIS 16 Ca 0.16 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1bw5 h HIS 16 Cb 0.05 0.39 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 1bw5 h HIS 16 CO -0.09 -0.37 -0.40 1.15 -1.30 0.00 0.00 177.93 176.92 1bw5 h THR 17 N -0.30 0.18 -0.99 6.26 2.02 -1.63 -2.34 112.91 116.11 1bw5 h THR 17 Ca 0.13 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.53 1bw5 h THR 17 Cb 0.51 0.18 -0.10 0.00 -1.74 0.00 0.00 68.15 67.01 1bw5 h THR 17 CO -0.42 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.02 1bw5 h LEU 18 N -0.80 0.61 -0.88 2.58 3.38 -1.16 -0.92 115.31 118.12 1bw5 h LEU 18 Ca -0.03 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.21 1bw5 h LEU 18 Cb 0.73 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 1bw5 h LEU 18 CO -0.09 0.19 0.42 -0.09 0.09 0.00 0.00 178.44 178.97 1bw5 h ARG 19 N 0.58 0.50 -0.44 1.13 2.43 -0.67 0.12 114.38 118.04 1bw5 h ARG 19 Ca 0.56 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.65 1bw5 h ARG 19 Cb 1.13 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1bw5 h ARG 19 CO -0.32 0.33 0.04 1.79 -1.51 0.00 0.00 179.97 180.30 1bw5 h THR 20 N 0.51 1.22 0.39 0.20 1.35 -1.19 -2.99 112.91 112.40 1bw5 h THR 20 Ca 0.52 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1bw5 h THR 20 Cb 0.88 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1bw5 h THR 20 CO -0.45 0.30 -0.24 0.00 -0.25 0.00 0.00 175.52 174.88 1bw5 h TYR 22 N -0.61 0.33 0.00 0.00 3.20 -1.34 0.42 116.97 118.98 1bw5 h TYR 22 Ca -0.04 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1bw5 h TYR 22 Cb 0.50 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1bw5 h TYR 22 CO -0.09 -0.17 0.13 0.00 -1.64 0.00 0.00 178.16 176.39 1bw5 h ALA 23 N 1.73 1.12 0.10 1.82 0.00 -1.39 -1.88 119.26 120.76 1bw5 h ALA 23 Ca 0.51 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.07 1bw5 h ALA 23 Cb 0.98 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1bw5 h ALA 23 CO -0.61 -0.12 -1.95 0.00 0.00 0.00 0.00 179.25 176.57 1bw5 n ALA 24 N -1.87 1.02 -3.63 0.00 0.00 0.15 -4.96 120.51 111.21 1bw5 n ALA 24 Ca -0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 1bw5 n ALA 24 Cb 0.18 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 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 -6.83 -0.81 0.00 0.00 0.01 -0.70 -5.02 114.94 101.59 1bw5 s ASN 25 Ca -0.19 1.47 0.25 0.00 -0.71 0.00 0.00 52.86 53.68 1bw5 s ASN 25 Cb 0.07 1.43 1.38 0.00 0.41 0.00 0.00 41.25 44.54 1bw5 s ASN 25 CO 0.78 -0.25 1.86 -0.81 -1.51 0.00 0.00 177.10 177.17 1bw5 n PRO 26 N 3.25 0.55 -3.26 -0.60 -0.04 -1.25 -4.42 135.00 129.22 1bw5 n PRO 26 Ca -0.16 0.03 -0.05 0.00 -0.04 0.00 0.00 63.50 63.27 1bw5 n PRO 26 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.33 0.64 1.13 0.54 3.52 -1.26 -5.09 118.95 116.10 1bw5 s ARG 27 Ca 0.30 -0.20 -0.19 0.00 -0.13 0.00 0.00 55.73 55.51 1bw5 s ARG 27 Cb 0.17 -0.18 0.29 0.00 -1.56 0.00 0.00 34.95 33.66 1bw5 s ARG 27 CO 0.34 -1.13 0.89 -0.35 -0.81 0.00 0.00 175.30 174.24 1bw5 n PRO 28 N 4.74 -3.37 -0.77 5.12 -0.04 -1.26 -5.08 135.00 134.34 1bw5 n PRO 28 Ca 0.08 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1bw5 n PRO 28 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -4.88 0.00 -0.24 3.54 9.92 -1.26 -5.00 116.55 118.63 1bw5 n ASP 29 Ca 0.13 -0.67 0.32 0.00 -0.53 0.00 0.00 54.79 54.04 1bw5 n ASP 29 Cb 0.51 0.00 0.72 0.00 -0.64 0.00 0.00 41.12 41.71 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw5 h ALA 30 N 1.85 2.93 -3.00 2.24 0.00 -1.98 0.83 119.26 122.14 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 -1.36 0.00 1.28 0.00 0.00 0.00 179.25 179.17 1bw5 n LEU 31 N -3.98 0.70 0.15 0.00 7.99 -1.26 -3.25 117.00 117.35 1bw5 n LEU 31 Ca 0.22 0.33 0.15 0.00 -0.01 0.00 0.00 56.01 56.70 1bw5 n LEU 31 Cb 1.18 0.00 0.71 0.00 -0.11 0.00 0.00 43.42 45.20 1bw5 n LEU 31 CO 0.36 0.00 1.13 0.24 -1.51 0.00 0.00 177.39 177.61 1bw5 h MET 32 N 0.00 0.00 -0.98 3.23 2.86 -1.93 -2.02 114.93 116.09 1bw5 h MET 32 Ca 0.00 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.86 1bw5 h MET 32 Cb 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.54 1bw5 h MET 32 CO 0.00 0.00 0.56 -0.22 1.06 0.00 0.00 176.91 178.31 1bw5 h LYS 33 N 0.00 0.60 0.12 1.72 3.64 -0.90 0.27 116.57 122.02 1bw5 h LYS 33 Ca 0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1bw5 h LYS 33 Cb 0.49 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1bw5 h LYS 33 CO -0.00 0.40 -0.06 1.49 -2.27 0.00 0.00 179.45 179.01 1bw5 h GLU 34 N 0.62 -0.15 -0.22 1.90 4.81 -1.34 -3.23 114.58 116.97 1bw5 h GLU 34 Ca 0.60 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1bw5 h GLU 34 Cb 1.07 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1bw5 h GLU 34 CO -0.45 -0.10 0.15 0.37 -0.73 0.00 0.00 179.01 178.25 1bw5 h GLN 35 N -0.17 0.29 -0.69 1.92 5.75 -1.68 -3.00 115.11 117.53 1bw5 h GLN 35 Ca -0.02 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.61 1bw5 h GLN 35 Cb 0.12 -0.06 -0.13 0.00 1.07 0.00 0.00 27.48 28.48 1bw5 h GLN 35 CO 0.03 0.19 -0.15 -0.07 -2.65 0.00 0.00 178.83 176.18 1bw5 h LEU 36 N 0.30 -0.60 -0.78 -2.39 -0.00 -0.95 0.13 115.31 111.01 1bw5 h LEU 36 Ca 0.08 0.20 0.10 0.00 -0.00 0.00 0.00 57.88 58.27 1bw5 h LEU 36 Cb -0.02 0.41 -0.08 0.00 -0.00 0.00 0.00 40.66 40.98 1bw5 h LEU 36 CO -0.02 -0.22 0.42 0.58 -0.00 0.00 0.00 178.44 179.20 1bw5 h VAL 37 N 0.01 0.85 -0.68 1.22 2.07 -1.59 -1.88 116.25 116.25 1bw5 h VAL 37 Ca 0.34 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 1bw5 h VAL 37 Cb 0.52 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1bw5 h VAL 37 CO -0.70 0.13 0.16 -0.08 0.02 0.00 0.00 177.57 177.10 1bw5 h GLU 38 N 0.69 1.08 -0.27 1.57 4.57 -0.91 2.15 114.58 123.46 1bw5 h GLU 38 Ca 0.39 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1bw5 h GLU 38 Cb 0.41 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1bw5 h GLU 38 CO -0.28 0.96 0.18 0.52 -1.18 0.00 0.00 179.01 179.21 1bw5 h MET 39 N 1.03 0.32 0.00 1.92 2.86 -0.55 -3.23 114.93 117.27 1bw5 h MET 39 Ca 0.21 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1bw5 h MET 39 Cb 0.37 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1bw5 h MET 39 CO 0.00 0.21 -1.09 -2.37 1.06 0.00 0.00 176.91 174.72 1bw5 n THR 40 N -4.50 0.02 -0.87 2.22 5.66 -1.13 -5.00 114.28 110.69 1bw5 n THR 40 Ca 0.01 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1bw5 n THR 40 Cb 0.10 0.17 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 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 2.49 0.59 3.90 1.09 0.00 0.72 -5.00 105.19 109.00 1bw5 n GLY 41 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 2.76 0.86 0.99 2.34 -1.25 -4.99 118.68 119.38 1bw5 s LEU 42 Ca 0.00 0.80 -0.11 0.00 0.06 0.00 0.00 54.13 54.88 1bw5 s LEU 42 Cb 0.00 -3.45 0.11 0.00 -0.56 0.00 0.00 46.19 42.29 1bw5 s LEU 42 CO 0.00 -1.59 1.09 -0.44 -1.06 0.00 0.00 176.35 174.35 1bw5 s SER 43 N -4.47 3.78 0.46 1.48 0.01 -1.26 -4.82 113.70 108.87 1bw5 s SER 43 Ca 0.60 1.65 0.26 0.00 1.31 0.00 0.00 55.95 59.76 1bw5 s SER 43 Cb -0.11 -2.32 1.00 0.00 0.21 0.00 0.00 66.02 64.80 1bw5 s SER 43 CO 0.48 -2.47 1.85 1.55 0.41 0.00 0.00 173.24 175.07 1bw5 h PRO 44 N -1.43 0.00 0.07 12.44 0.13 -1.99 -3.27 132.00 137.94 1bw5 h PRO 44 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bw5 h PRO 44 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1bw5 h PRO 44 CO 0.53 0.18 -0.19 0.00 -0.23 0.00 0.00 178.00 178.28 1bw5 h ARG 45 N 0.00 -0.28 -0.95 0.86 2.47 -2.01 -1.70 114.38 112.77 1bw5 h ARG 45 Ca -0.00 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.81 1bw5 h ARG 45 Cb 0.70 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 29.02 1bw5 h ARG 45 CO 0.02 -0.19 0.60 0.28 0.56 0.00 0.00 179.97 181.25 1bw5 h VAL 46 N -0.29 1.04 0.05 2.04 2.07 -1.97 -2.87 116.25 116.32 1bw5 h VAL 46 Ca -0.01 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1bw5 h VAL 46 Cb 0.28 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.88 1bw5 h VAL 46 CO -0.09 0.20 -0.49 0.40 0.02 0.00 0.00 177.57 177.61 1bw5 h ILE 47 N 1.07 0.06 0.21 4.57 1.08 -1.51 -1.96 117.51 121.05 1bw5 h ILE 47 Ca 0.42 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.90 1bw5 h ILE 47 Cb 0.22 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 33.99 1bw5 h ILE 47 CO -0.19 0.00 -0.50 -0.09 -0.69 0.00 0.00 178.15 176.69 1bw5 h ARG 48 N -0.67 -0.75 -0.78 2.37 2.43 -1.10 -2.44 114.38 113.44 1bw5 h ARG 48 Ca 0.02 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.43 1bw5 h ARG 48 Cb 0.71 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 1bw5 h ARG 48 CO -0.31 -0.50 0.53 -0.24 -1.51 0.00 0.00 179.97 177.94 1bw5 h VAL 49 N -0.78 0.70 0.11 0.20 3.04 -1.43 -3.05 116.25 115.04 1bw5 h VAL 49 Ca -0.02 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1bw5 h VAL 49 Cb 0.75 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 1bw5 h VAL 49 CO -0.21 0.05 -0.20 -0.25 -1.01 0.00 0.00 177.57 175.94 1bw5 h TRP 50 N 0.26 -0.57 -0.77 3.17 7.01 -0.84 -1.90 115.95 122.32 1bw5 h TRP 50 Ca 0.39 0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.58 1bw5 h TRP 50 Cb 1.13 0.23 -0.13 0.00 -2.10 0.00 0.00 29.16 28.29 1bw5 h TRP 50 CO -0.00 -0.24 0.03 0.74 -2.79 0.00 0.00 178.44 176.18 1bw5 h PHE 51 N -0.33 -0.01 0.02 2.65 0.04 -1.61 -1.55 116.94 116.15 1bw5 h PHE 51 Ca -0.01 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1bw5 h PHE 51 Cb 0.31 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 1bw5 h PHE 51 CO -0.26 -0.24 -0.05 0.37 -0.60 0.00 0.00 178.31 177.52 1bw5 h GLN 52 N 0.11 -0.08 -0.94 1.51 4.15 -1.47 -2.92 115.11 115.47 1bw5 h GLN 52 Ca 0.43 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.99 1bw5 h GLN 52 Cb 0.77 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.40 1bw5 h GLN 52 CO -0.67 -0.05 0.60 -0.91 -1.93 0.00 0.00 178.83 175.87 1bw5 h ASN 53 N -0.08 0.77 -0.93 -0.69 2.35 -0.99 -2.80 115.58 113.22 1bw5 h ASN 53 Ca -0.00 0.05 0.25 0.00 -0.55 0.00 0.00 56.30 56.04 1bw5 h ASN 53 Cb 0.08 -0.11 -0.17 0.00 0.05 0.00 0.00 38.32 38.18 1bw5 h ASN 53 CO -0.03 0.39 0.07 0.50 -1.65 0.00 0.00 177.43 176.71 1bw5 h LYS 54 N 0.81 0.06 -0.75 0.81 3.11 -1.09 0.15 116.57 119.67 1bw5 h LYS 54 Ca 0.47 -0.00 0.17 0.00 -2.81 0.00 0.00 60.65 58.48 1bw5 h LYS 54 Cb 0.64 -0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.74 1bw5 h LYS 54 CO -0.24 0.04 0.10 -0.09 -2.81 0.00 0.00 179.45 176.45 1bw5 h ARG 55 N 0.06 0.17 0.74 1.90 2.43 -1.55 0.33 114.38 118.46 1bw5 h ARG 55 Ca 0.56 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.69 1bw5 h ARG 55 Cb 1.13 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1bw5 h ARG 55 CO -0.83 0.11 -0.44 0.00 -1.51 0.00 0.00 179.97 177.31 1bw5 h LYS 57 N -1.10 0.00 0.00 0.00 3.11 -1.35 -1.88 116.57 115.34 1bw5 h LYS 57 Ca -0.10 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1bw5 h LYS 57 Cb 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 1bw5 h LYS 57 CO 0.10 0.18 0.00 -0.44 -2.81 0.00 0.00 179.45 176.48 1bw5 h ASP 58 N 0.00 0.00 0.00 4.20 5.19 -0.06 -3.44 116.42 122.31 1bw5 h ASP 58 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bw5 h ASP 58 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1bw5 h ASP 58 CO 0.02 0.00 0.00 1.17 -3.12 0.00 0.00 179.24 177.31 1bw5 n LYS 59 N -2.56 0.00 0.00 3.56 4.81 -0.71 -4.03 118.16 119.23 1bw5 n LYS 59 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1bw5 n LYS 59 Cb 0.20 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.25 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 -2.82 1.64 3.00 -1.26 -5.05 118.16 113.67 1bw5 n LYS 60 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 1bw5 n LYS 60 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1bw5 n ARG 61 N -2.40 -3.02 0.07 1.64 0.63 -1.26 -5.00 116.66 107.32 1bw5 n ARG 61 Ca 0.00 2.44 0.00 0.00 -0.92 0.00 0.00 57.85 59.37 1bw5 n ARG 61 Cb 0.00 -3.54 0.00 0.00 0.45 0.00 0.00 32.46 29.37 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1bw5 n SER 62 N 1.69 -0.03 -4.58 6.15 3.41 -1.26 -5.01 113.62 113.99 1bw5 n SER 62 Ca -0.18 0.24 -0.41 0.00 -0.26 0.00 0.00 58.87 58.26 1bw5 n SER 62 Cb 0.34 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 -2.00 3.35 0.98 -1.33 -1.09 -1.26 -4.97 121.20 114.88 1bw5 s ILE 63 Ca 0.00 0.31 -0.13 0.00 -2.23 0.00 0.00 60.65 58.60 1bw5 s ILE 63 Cb 0.00 -3.63 0.18 0.00 -1.58 0.00 0.00 42.46 37.43 1bw5 s ILE 63 CO 0.00 -0.50 1.12 -0.04 -1.23 0.00 0.00 174.94 174.29 1bw5 s MET 64 N 6.45 0.59 -0.08 2.79 -1.94 -1.26 -4.94 119.30 120.92 1bw5 s MET 64 Ca 0.79 0.33 0.13 0.00 -1.71 0.00 0.00 55.69 55.23 1bw5 s MET 64 Cb -0.19 -1.77 0.53 0.00 2.01 0.00 0.00 34.83 35.40 1bw5 s MET 64 CO 0.29 -2.58 1.40 -0.12 -0.01 0.00 0.00 175.02 173.99 1bw5 n MET 65 N -4.04 3.00 0.00 2.03 1.56 -1.26 -5.29 117.12 113.12 1bw5 n MET 65 Ca 0.07 -2.09 0.13 0.00 -0.27 0.00 0.00 57.70 55.53 1bw5 n MET 65 Cb 0.58 -1.72 0.21 0.00 2.15 0.00 0.00 33.22 34.44 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41