#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 -2.24 -0.98 2.12 3.00 -1.26 -4.83 118.16 113.96 1bw5 n LYS 2 Ca 0.00 1.96 -0.35 0.00 -0.00 0.00 0.00 58.31 59.92 1bw5 n LYS 2 Cb 0.00 -2.90 0.08 0.00 0.00 0.00 0.00 35.03 32.21 1bw5 n LYS 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1bw5 n THR 3 N 1.55 0.35 -1.54 3.15 5.66 -1.26 -4.65 114.28 117.53 1bw5 n THR 3 Ca -0.09 -0.35 -0.35 0.00 -3.05 0.00 0.00 64.05 60.20 1bw5 n THR 3 Cb 0.29 -0.40 -0.05 0.00 -1.55 0.00 0.00 70.33 68.62 1bw5 n THR 3 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1bw5 n THR 4 N -2.86 -0.07 -3.56 1.09 -2.24 -1.26 -4.93 114.28 100.45 1bw5 n THR 4 Ca 0.05 -0.69 -0.21 0.00 -2.27 0.00 0.00 64.05 60.92 1bw5 n THR 4 Cb 0.53 -2.46 -0.01 0.00 -2.10 0.00 0.00 70.33 66.29 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bw5 s ARG 5 N 8.41 3.29 0.01 -0.78 1.81 -1.26 -5.03 118.95 125.40 1bw5 s ARG 5 Ca 1.03 -0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 54.01 1bw5 s ARG 5 Cb -0.31 -2.78 -0.07 0.00 -0.45 0.00 0.00 34.95 31.35 1bw5 s ARG 5 CO 0.28 0.16 1.61 0.54 -0.68 0.00 0.00 175.30 177.21 1bw5 s VAL 6 N -2.19 3.37 -0.42 3.52 0.11 -1.26 -4.97 120.40 118.57 1bw5 s VAL 6 Ca 0.41 0.68 -0.10 0.00 -2.93 0.00 0.00 61.98 60.04 1bw5 s VAL 6 Cb -0.09 -3.44 0.08 0.00 -1.53 0.00 0.00 36.38 31.39 1bw5 s VAL 6 CO 0.32 -0.02 0.26 -0.13 -3.33 0.00 0.00 175.10 172.20 1bw5 s ARG 7 N 3.15 2.64 0.24 1.54 1.81 -1.26 -5.08 118.95 121.98 1bw5 s ARG 7 Ca 0.72 -1.43 -0.03 0.00 -1.72 0.00 0.00 55.73 53.27 1bw5 s ARG 7 Cb -0.36 -3.80 0.05 0.00 -0.45 0.00 0.00 34.95 30.40 1bw5 s ARG 7 CO 0.30 -0.94 0.33 0.25 -0.68 0.00 0.00 175.30 174.56 1bw5 n THR 8 N 4.94 0.00 -2.45 0.02 -2.24 -1.26 -5.04 114.28 108.25 1bw5 n THR 8 Ca -0.10 -0.33 0.03 0.00 -2.27 0.00 0.00 64.05 61.37 1bw5 n THR 8 Cb 0.43 -1.63 0.01 0.00 -2.10 0.00 0.00 70.33 67.05 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 -2.22 0.01 -3.03 2.28 0.24 -1.26 -5.09 118.33 109.26 1bw5 n VAL 9 Ca 0.05 -0.90 -0.40 0.00 -2.04 0.00 0.00 64.34 61.05 1bw5 n VAL 9 Cb 0.16 0.95 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 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 -0.02 4.35 0.00 1.34 2.01 -1.26 -4.94 118.68 120.16 1bw5 s LEU 10 Ca 0.30 1.25 0.00 0.00 0.01 0.00 0.00 54.13 55.70 1bw5 s LEU 10 Cb 0.35 -3.12 0.00 0.00 0.01 0.00 0.00 46.19 43.42 1bw5 s LEU 10 CO -0.15 -0.09 0.00 -0.46 1.01 0.00 0.00 176.35 176.66 1bw5 n ASN 11 N 3.55 0.00 0.31 2.29 6.94 -1.26 -5.01 115.26 122.09 1bw5 n ASN 11 Ca -0.01 -0.49 0.17 0.00 -0.02 0.00 0.00 54.58 54.23 1bw5 n ASN 11 Cb 0.51 0.00 0.93 0.00 -2.36 0.00 0.00 39.78 38.86 1bw5 n ASN 11 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 -0.00 -1.99 -2.42 114.58 106.33 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 180.64 1bw5 n LYS 13 N -2.86 0.00 -0.14 1.06 5.02 -1.26 -3.79 118.16 116.19 1bw5 n LYS 13 Ca -0.02 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.40 1bw5 n LYS 13 Cb 0.23 -0.56 0.48 0.00 -0.02 0.00 0.00 35.03 35.16 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 0.45 -0.70 1.97 4.20 -1.92 -2.28 115.11 116.83 1bw5 h GLN 14 Ca 0.00 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.83 1bw5 h GLN 14 Cb 0.00 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 27.58 1bw5 h GLN 14 CO 0.00 0.30 0.16 1.25 -0.67 0.00 0.00 178.83 179.86 1bw5 h LEU 15 N 0.46 -0.00 -0.54 1.46 7.12 -1.61 -0.86 115.31 121.34 1bw5 h LEU 15 Ca 0.33 0.14 0.10 0.00 0.13 0.00 0.00 57.88 58.58 1bw5 h LEU 15 Cb 0.67 0.19 -0.08 0.00 -0.53 0.00 0.00 40.66 40.90 1bw5 h LEU 15 CO -0.11 -0.03 0.08 -0.74 -0.13 0.00 0.00 178.44 177.52 1bw5 h HIS 16 N 0.26 0.11 0.64 1.25 2.76 -1.50 -0.48 115.15 118.20 1bw5 h HIS 16 Ca 0.38 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.56 1bw5 h HIS 16 Cb 0.63 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 1bw5 h HIS 16 CO -0.26 -0.05 -0.44 1.15 -1.30 0.00 0.00 177.93 177.02 1bw5 h THR 17 N 0.21 0.00 -0.90 6.26 2.02 -1.28 -2.36 112.91 116.86 1bw5 h THR 17 Ca 0.28 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.67 1bw5 h THR 17 Cb 0.41 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 1bw5 h THR 17 CO -0.39 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.03 1bw5 h LEU 18 N -1.03 0.35 -0.79 2.58 3.38 -1.20 -1.78 115.31 116.83 1bw5 h LEU 18 Ca -0.08 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.11 1bw5 h LEU 18 Cb 0.84 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 1bw5 h LEU 18 CO 0.05 0.14 0.13 -0.09 0.09 0.00 0.00 178.44 178.75 1bw5 h ARG 19 N 0.35 0.18 -0.17 1.13 1.12 -0.52 -0.51 114.38 115.95 1bw5 h ARG 19 Ca 0.47 -0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 59.16 1bw5 h ARG 19 Cb 1.25 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 31.16 1bw5 h ARG 19 CO -0.16 0.12 -0.59 1.15 -3.11 0.00 0.00 179.97 177.38 1bw5 h THR 20 N 0.18 1.32 0.41 0.20 2.02 -1.37 -3.17 112.91 112.51 1bw5 h THR 20 Ca 0.46 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 1bw5 h THR 20 Cb 0.85 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1bw5 h THR 20 CO -0.62 0.58 -0.29 0.00 0.37 0.00 0.00 175.52 175.56 1bw5 h TYR 22 N -0.66 -0.38 -0.55 0.00 3.20 -1.59 1.57 116.97 118.56 1bw5 h TYR 22 Ca -0.05 0.05 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1bw5 h TYR 22 Cb 0.54 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 1bw5 h TYR 22 CO -0.06 -0.25 0.38 0.00 -1.64 0.00 0.00 178.16 176.59 1bw5 h ALA 23 N 1.38 2.30 -0.02 1.82 0.00 -1.51 -1.06 119.26 122.18 1bw5 h ALA 23 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bw5 h ALA 23 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bw5 h ALA 23 CO -0.53 -0.45 -0.09 0.00 0.00 0.00 0.00 179.25 178.18 1bw5 n ALA 24 N -2.59 2.65 -2.81 0.00 0.00 -0.07 -4.79 120.51 112.90 1bw5 n ALA 24 Ca 0.10 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 1bw5 n ALA 24 Cb 0.51 -0.49 0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.37 -1.33 0.00 0.00 2.47 0.52 -5.00 114.94 110.24 1bw5 s ASN 25 Ca 0.15 -1.44 0.22 0.00 0.42 0.00 0.00 52.86 52.21 1bw5 s ASN 25 Cb 0.12 1.73 1.25 0.00 -1.45 0.00 0.00 41.25 42.90 1bw5 s ASN 25 CO 0.23 -0.06 1.70 -0.81 -3.72 0.00 0.00 177.10 174.44 1bw5 n PRO 26 N 3.12 0.58 -2.97 0.43 -0.04 -0.83 -3.81 135.00 131.49 1bw5 n PRO 26 Ca 0.16 0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.50 1bw5 n PRO 26 Cb 0.57 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.08 0.91 -1.04 0.54 0.63 -1.26 -5.05 116.66 110.30 1bw5 n ARG 27 Ca 0.15 -2.60 -0.30 0.00 -0.92 0.00 0.00 57.85 54.17 1bw5 n ARG 27 Cb 0.10 -1.36 0.26 0.00 0.45 0.00 0.00 32.46 31.91 1bw5 n ARG 27 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1bw5 n PRO 28 N 0.73 -3.21 0.00 -0.14 -0.04 -1.25 -5.08 135.00 126.01 1bw5 n PRO 28 Ca 0.15 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 1bw5 n PRO 28 Cb 0.65 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1bw5 n PRO 28 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bw5 n ASP 29 N -4.91 0.00 0.21 3.54 -0.08 -1.26 -4.98 116.55 109.07 1bw5 n ASP 29 Ca 0.15 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.58 1bw5 n ASP 29 Cb 0.60 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.62 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 1.87 -3.00 -1.67 0.00 -1.98 -1.28 119.26 115.20 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 -0.74 0.00 1.28 0.00 0.00 0.00 179.25 179.79 1bw5 n LEU 31 N -3.01 0.00 0.24 0.00 4.77 -1.26 -3.47 117.00 114.27 1bw5 n LEU 31 Ca 0.04 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1bw5 n LEU 31 Cb 0.73 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.41 1bw5 n LEU 31 CO 0.14 0.00 0.94 0.24 -1.33 0.00 0.00 177.39 177.39 1bw5 h MET 32 N 0.00 0.00 -0.74 3.23 2.86 -1.93 -3.16 114.93 115.19 1bw5 h MET 32 Ca 0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 1bw5 h MET 32 Cb 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.52 1bw5 h MET 32 CO 0.00 0.15 -0.16 0.87 1.06 0.00 0.00 176.91 178.83 1bw5 h LYS 33 N 0.00 0.01 0.31 1.72 1.57 -1.30 0.26 116.57 119.14 1bw5 h LYS 33 Ca -0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1bw5 h LYS 33 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1bw5 h LYS 33 CO 0.02 0.01 -0.15 0.93 -0.57 0.00 0.00 179.45 179.69 1bw5 h GLU 34 N 0.01 -0.40 -0.33 3.15 4.39 -1.58 -2.64 114.58 117.19 1bw5 h GLU 34 Ca 0.36 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1bw5 h GLU 34 Cb 0.57 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1bw5 h GLU 34 CO -0.75 -0.17 0.22 1.96 -1.16 0.00 0.00 179.01 179.10 1bw5 h GLN 35 N -0.56 0.44 -0.57 2.33 4.20 -1.51 -2.94 115.11 116.51 1bw5 h GLN 35 Ca -0.04 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.74 1bw5 h GLN 35 Cb 0.41 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 1bw5 h GLN 35 CO 0.07 0.31 0.12 -0.07 -0.67 0.00 0.00 178.83 178.58 1bw5 h LEU 36 N 0.45 -0.01 -0.15 1.46 -0.00 -0.51 -1.97 115.31 114.59 1bw5 h LEU 36 Ca 0.12 0.11 0.05 0.00 -0.00 0.00 0.00 57.88 58.15 1bw5 h LEU 36 Cb -0.04 0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 40.72 1bw5 h LEU 36 CO -0.03 0.01 -0.17 0.58 -0.00 0.00 0.00 178.44 178.83 1bw5 h VAL 37 N 0.25 0.54 -0.89 1.22 2.07 -1.28 -2.17 116.25 115.99 1bw5 h VAL 37 Ca 0.30 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 1bw5 h VAL 37 Cb 0.43 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1bw5 h VAL 37 CO -0.39 0.00 0.56 -0.08 0.02 0.00 0.00 177.57 177.68 1bw5 h GLU 38 N -0.21 1.00 0.76 1.57 4.22 -1.36 1.19 114.58 121.75 1bw5 h GLU 38 Ca 0.10 -0.06 -0.04 0.00 0.08 0.00 0.00 59.36 59.45 1bw5 h GLU 38 Cb 0.36 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1bw5 h GLU 38 CO -0.27 0.66 -0.36 0.52 -2.18 0.00 0.00 179.01 177.38 1bw5 h MET 39 N 1.03 -0.98 -0.02 1.92 2.86 -0.73 -3.19 114.93 115.82 1bw5 h MET 39 Ca 0.38 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1bw5 h MET 39 Cb 0.13 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1bw5 h MET 39 CO -0.16 -0.64 -0.03 -2.37 1.06 0.00 0.00 176.91 174.77 1bw5 n THR 40 N -5.51 0.00 -1.29 2.22 5.66 -1.06 -4.93 114.28 109.37 1bw5 n THR 40 Ca -0.14 -0.38 -0.12 0.00 -3.05 0.00 0.00 64.05 60.36 1bw5 n THR 40 Cb 0.41 1.07 -0.05 0.00 -1.55 0.00 0.00 70.33 70.21 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 1.29 1.14 3.86 1.09 0.00 0.41 -4.93 105.19 108.05 1bw5 n GLY 41 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.19 3.64 1.00 0.99 2.34 -1.23 -5.00 118.68 117.23 1bw5 s LEU 42 Ca 0.00 1.35 -0.12 0.00 0.06 0.00 0.00 54.13 55.41 1bw5 s LEU 42 Cb 0.00 -4.28 0.19 0.00 -0.56 0.00 0.00 46.19 41.53 1bw5 s LEU 42 CO 0.00 -0.56 1.09 -0.44 -1.06 0.00 0.00 176.35 175.37 1bw5 s SER 43 N -3.35 2.61 0.46 1.48 0.01 -1.26 -4.75 113.70 108.89 1bw5 s SER 43 Ca 0.55 1.25 0.27 0.00 1.31 0.00 0.00 55.95 59.32 1bw5 s SER 43 Cb -0.10 -1.92 0.73 0.00 0.21 0.00 0.00 66.02 64.93 1bw5 s SER 43 CO 0.36 -3.15 1.75 1.55 0.41 0.00 0.00 173.24 174.16 1bw5 h PRO 44 N -1.90 0.00 0.17 12.44 0.13 -1.99 -3.33 132.00 137.52 1bw5 h PRO 44 Ca -0.54 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1bw5 h PRO 44 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1bw5 h PRO 44 CO 0.57 0.00 -0.36 0.00 -0.23 0.00 0.00 178.00 177.98 1bw5 h ARG 45 N 0.00 -0.60 -0.68 0.86 3.08 -2.02 -2.27 114.38 112.74 1bw5 h ARG 45 Ca 0.00 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1bw5 h ARG 45 Cb 0.80 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 1bw5 h ARG 45 CO 0.00 -0.40 0.35 0.28 -1.07 0.00 0.00 179.97 179.13 1bw5 h VAL 46 N -0.62 1.21 0.12 2.04 2.07 -1.96 -3.14 116.25 115.97 1bw5 h VAL 46 Ca 0.02 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1bw5 h VAL 46 Cb 0.63 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1bw5 h VAL 46 CO -0.18 0.24 -0.42 0.40 0.02 0.00 0.00 177.57 177.63 1bw5 h ILE 47 N 0.96 0.15 0.58 4.57 1.08 -1.53 -1.24 117.51 122.08 1bw5 h ILE 47 Ca 0.24 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.69 1bw5 h ILE 47 Cb 0.06 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 1bw5 h ILE 47 CO -0.04 0.00 -0.44 -0.09 -0.69 0.00 0.00 178.15 176.90 1bw5 h ARG 48 N -0.66 -0.94 -0.33 2.37 1.12 -1.45 -2.99 114.38 111.49 1bw5 h ARG 48 Ca 0.02 0.06 0.07 0.00 -1.11 0.00 0.00 59.98 59.02 1bw5 h ARG 48 Cb 0.68 0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 30.84 1bw5 h ARG 48 CO -0.24 -0.63 0.23 -0.24 -3.11 0.00 0.00 179.97 175.98 1bw5 h VAL 49 N -0.98 0.90 0.36 0.20 3.04 -1.56 -3.10 116.25 115.12 1bw5 h VAL 49 Ca -0.08 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 1bw5 h VAL 49 Cb 0.81 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 30.82 1bw5 h VAL 49 CO 0.03 0.03 -0.44 -0.25 -1.01 0.00 0.00 177.57 175.92 1bw5 h TRP 50 N 0.14 -1.24 -0.71 3.17 7.01 -1.06 -2.02 115.95 121.24 1bw5 h TRP 50 Ca 0.15 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.27 1bw5 h TRP 50 Cb 0.43 0.49 -0.07 0.00 -2.10 0.00 0.00 29.16 27.90 1bw5 h TRP 50 CO -0.00 -0.57 0.33 0.74 -2.79 0.00 0.00 178.44 176.16 1bw5 h PHE 51 N -0.82 0.59 -0.10 2.65 -1.00 -1.61 -2.25 116.94 114.41 1bw5 h PHE 51 Ca -0.04 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.79 1bw5 h PHE 51 Cb 0.73 -0.16 -0.06 0.00 3.61 0.00 0.00 35.95 40.07 1bw5 h PHE 51 CO -0.28 0.19 -0.51 0.37 -1.61 0.00 0.00 178.31 176.48 1bw5 h GLN 52 N 0.56 -0.54 -0.62 1.51 4.15 -1.42 -2.27 115.11 116.48 1bw5 h GLN 52 Ca 0.36 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.86 1bw5 h GLN 52 Cb 0.41 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 1bw5 h GLN 52 CO -0.29 -0.36 0.35 -0.91 -1.93 0.00 0.00 178.83 175.68 1bw5 h ASN 53 N -0.56 0.53 -0.84 -0.69 2.35 -1.07 -2.87 115.58 112.43 1bw5 h ASN 53 Ca 0.03 0.02 0.20 0.00 -0.55 0.00 0.00 56.30 55.99 1bw5 h ASN 53 Cb 0.64 -0.08 -0.15 0.00 0.05 0.00 0.00 38.32 38.78 1bw5 h ASN 53 CO -0.39 0.35 -0.04 0.50 -1.65 0.00 0.00 177.43 176.20 1bw5 h LYS 54 N 0.66 0.06 -1.08 0.81 1.63 -0.82 0.27 116.57 118.09 1bw5 h LYS 54 Ca 0.27 -0.00 0.33 0.00 -0.85 0.00 0.00 60.65 60.40 1bw5 h LYS 54 Cb 0.13 -0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 31.62 1bw5 h LYS 54 CO -0.16 0.04 0.65 -0.09 -3.45 0.00 0.00 179.45 176.45 1bw5 h ARG 55 N 0.06 0.29 0.61 1.90 1.12 -1.33 0.46 114.38 117.49 1bw5 h ARG 55 Ca 0.46 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 59.28 1bw5 h ARG 55 Cb 0.83 -0.07 0.01 0.00 -0.01 0.00 0.00 29.97 30.73 1bw5 h ARG 55 CO -0.78 0.19 -0.29 0.00 -3.11 0.00 0.00 179.97 175.98 1bw5 h LYS 57 N -0.91 1.30 -6.45 0.00 1.63 -1.20 -3.42 116.57 107.53 1bw5 h LYS 57 Ca -0.08 -0.10 -0.53 0.00 -0.85 0.00 0.00 60.65 59.09 1bw5 h LYS 57 Cb 0.63 -0.28 0.03 0.00 -0.60 0.00 0.00 32.23 32.01 1bw5 h LYS 57 CO 0.14 0.89 1.17 0.34 -3.45 0.00 0.00 179.45 178.53 1bw5 s ASP 58 N -6.15 6.42 0.05 4.20 2.15 0.15 -4.49 116.67 119.01 1bw5 s ASP 58 Ca -0.13 2.74 0.00 0.00 0.43 0.00 0.00 52.55 55.59 1bw5 s ASP 58 Cb 0.18 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1bw5 s ASP 58 CO 0.82 -1.03 0.00 1.17 -0.17 0.00 0.00 175.17 175.96 1bw5 n LYS 59 N 6.44 0.00 0.01 4.34 4.81 -1.26 -4.87 118.16 127.62 1bw5 n LYS 59 Ca 0.19 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.60 1bw5 n LYS 59 Cb 0.39 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.43 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1bw5 n LYS 60 N -2.39 0.07 -1.24 1.64 4.76 -1.26 -5.00 118.16 114.75 1bw5 n LYS 60 Ca 0.00 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.39 1bw5 n LYS 60 Cb 0.00 -0.63 -0.04 0.00 -1.84 0.00 0.00 35.03 32.53 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1bw5 n ARG 61 N -3.39 -1.51 -0.59 1.97 1.74 -1.26 -4.96 116.66 108.64 1bw5 n ARG 61 Ca -0.05 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1bw5 n ARG 61 Cb 0.32 -5.03 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1bw5 n SER 62 N -0.89 0.56 -4.86 0.55 7.64 -1.26 -5.11 113.62 110.25 1bw5 n SER 62 Ca -0.08 -0.46 -0.35 0.00 1.01 0.00 0.00 58.87 58.99 1bw5 n SER 62 Cb 0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bw5 s ILE 63 N 1.12 5.03 -0.30 0.44 -1.09 -1.26 -5.07 121.20 120.08 1bw5 s ILE 63 Ca 0.00 0.53 -0.02 0.00 -2.23 0.00 0.00 60.65 58.93 1bw5 s ILE 63 Cb 0.00 -3.67 0.12 0.00 -1.58 0.00 0.00 42.46 37.33 1bw5 s ILE 63 CO 0.00 0.26 0.21 -0.32 -1.23 0.00 0.00 174.94 173.86 1bw5 s MET 64 N -1.98 0.30 -0.34 2.79 1.75 -1.26 -5.01 119.30 115.55 1bw5 s MET 64 Ca 0.35 -0.49 -0.03 0.00 -1.25 0.00 0.00 55.69 54.27 1bw5 s MET 64 Cb -0.14 -0.97 0.08 0.00 2.84 0.00 0.00 34.83 36.64 1bw5 s MET 64 CO 0.19 -1.05 2.55 -1.33 -0.65 0.00 0.00 175.02 174.73 1bw5 n MET 65 N 5.10 2.08 -0.30 4.11 2.81 -1.26 -5.29 117.12 124.38 1bw5 n MET 65 Ca -0.02 -1.82 0.00 0.00 -1.81 0.00 0.00 57.70 54.05 1bw5 n MET 65 Cb 0.43 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11