#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 -0.88 0.07 3.17 1.02 -1.26 -4.93 119.74 116.94 1bw5 s LYS 2 Ca 0.00 0.05 0.28 0.00 0.02 0.00 0.00 55.97 56.32 1bw5 s LYS 2 Cb 0.00 -1.63 1.00 0.00 -0.52 0.00 0.00 37.83 36.69 1bw5 s LYS 2 CO 0.00 -3.51 1.81 0.25 -0.92 0.00 0.00 175.35 172.98 1bw5 n THR 3 N -4.64 0.21 -2.56 2.17 -2.24 -1.26 -4.72 114.28 101.23 1bw5 n THR 3 Ca 0.11 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 1bw5 n THR 3 Cb 0.59 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1bw5 n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bw5 s THR 4 N -3.04 4.31 0.61 4.28 -4.23 -1.26 -5.02 115.64 111.29 1bw5 s THR 4 Ca 0.12 1.46 -0.07 0.00 -1.18 0.00 0.00 61.69 62.02 1bw5 s THR 4 Cb 0.16 -4.39 0.13 0.00 1.34 0.00 0.00 72.50 69.74 1bw5 s THR 4 CO 0.57 -0.63 0.83 0.54 -0.54 0.00 0.00 174.62 175.39 1bw5 n ARG 5 N 7.29 -0.52 -2.30 3.99 1.74 -1.26 -5.03 116.66 120.57 1bw5 n ARG 5 Ca 0.13 -1.58 -0.22 0.00 -0.77 0.00 0.00 57.85 55.41 1bw5 n ARG 5 Cb 0.47 -0.76 0.02 0.00 -1.02 0.00 0.00 32.46 31.17 1bw5 n ARG 5 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1bw5 n VAL 6 N -2.94 2.25 -0.41 1.55 3.14 -1.26 -4.73 118.33 115.93 1bw5 n VAL 6 Ca 0.11 -4.27 0.11 0.00 -2.96 0.00 0.00 64.34 57.33 1bw5 n VAL 6 Cb 0.40 -0.84 0.32 0.00 -1.06 0.00 0.00 33.84 32.66 1bw5 n VAL 6 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1bw5 n ARG 7 N -0.58 2.95 -0.65 1.45 1.85 -1.26 -4.97 116.66 115.45 1bw5 n ARG 7 Ca 0.36 -2.66 -0.21 0.00 -1.00 0.00 0.00 57.85 54.35 1bw5 n ARG 7 Cb 0.84 -1.61 0.18 0.00 -1.05 0.00 0.00 32.46 30.81 1bw5 n ARG 7 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1bw5 n THR 8 N 1.42 0.00 -2.31 8.89 -1.04 -1.26 -5.02 114.28 114.97 1bw5 n THR 8 Ca 0.24 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1bw5 n THR 8 Cb 0.66 -1.11 -0.01 0.00 -1.82 0.00 0.00 70.33 68.05 1bw5 n THR 8 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1bw5 n VAL 9 N -4.21 0.00 -2.64 12.58 0.24 -1.26 -5.05 118.33 117.99 1bw5 n VAL 9 Ca 0.10 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 1bw5 n VAL 9 Cb 0.40 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 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 3.54 0.00 1.34 2.01 -1.26 -5.00 118.68 119.31 1bw5 s LEU 10 Ca 0.21 -0.70 0.06 0.00 0.01 0.00 0.00 54.13 53.70 1bw5 s LEU 10 Cb 0.24 -2.52 0.09 0.00 0.01 0.00 0.00 46.19 44.01 1bw5 s LEU 10 CO -0.10 -1.70 0.72 0.59 1.01 0.00 0.00 176.35 176.87 1bw5 n ASN 11 N 8.85 1.61 0.28 2.29 3.02 -1.26 -4.83 115.26 125.23 1bw5 n ASN 11 Ca 0.04 -2.21 0.09 0.00 -0.03 0.00 0.00 54.58 52.48 1bw5 n ASN 11 Cb 0.48 -0.41 0.50 0.00 -0.61 0.00 0.00 39.78 39.74 1bw5 n ASN 11 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1bw5 h GLU 12 N 0.00 0.00 0.00 3.52 4.11 -1.98 -2.17 114.58 118.06 1bw5 h GLU 12 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1bw5 h GLU 12 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1bw5 h GLU 12 CO 0.32 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.03 1bw5 n LYS 13 N -2.52 0.00 0.21 1.06 4.76 -1.26 -2.94 118.16 117.46 1bw5 n LYS 13 Ca -0.01 0.01 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1bw5 n LYS 13 Cb 0.50 -0.88 0.45 0.00 -1.84 0.00 0.00 35.03 33.26 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1bw5 h GLN 14 N 0.00 0.01 0.17 1.97 7.50 -1.94 -3.12 115.11 119.70 1bw5 h GLN 14 Ca 0.00 -0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.16 1bw5 h GLN 14 Cb 0.00 -0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.49 1bw5 h GLN 14 CO 0.00 0.25 -0.43 -0.07 -1.50 0.00 0.00 178.83 177.08 1bw5 h LEU 15 N 0.01 -1.25 -0.86 1.46 -0.00 -1.51 -1.82 115.31 111.33 1bw5 h LEU 15 Ca -0.00 0.13 0.15 0.00 -0.00 0.00 0.00 57.88 58.17 1bw5 h LEU 15 Cb 0.43 0.46 -0.10 0.00 -0.00 0.00 0.00 40.66 41.46 1bw5 h LEU 15 CO 0.03 -0.51 0.44 0.45 -0.00 0.00 0.00 178.44 178.85 1bw5 h HIS 16 N -0.70 0.77 0.21 1.13 3.86 -1.46 -0.95 115.15 118.01 1bw5 h HIS 16 Ca 0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1bw5 h HIS 16 Cb 0.70 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1bw5 h HIS 16 CO -0.35 0.16 -0.18 1.15 0.86 0.00 0.00 177.93 179.57 1bw5 h THR 17 N 0.61 0.00 -0.76 2.45 2.02 -1.36 -2.59 112.91 113.27 1bw5 h THR 17 Ca 0.48 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.82 1bw5 h THR 17 Cb 0.70 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1bw5 h THR 17 CO -0.38 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 175.96 1bw5 h LEU 18 N -0.38 0.31 -1.76 2.58 3.38 -1.21 -1.76 115.31 116.48 1bw5 h LEU 18 Ca -0.03 0.02 0.46 0.00 0.09 0.00 0.00 57.88 58.42 1bw5 h LEU 18 Cb 0.32 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1bw5 h LEU 18 CO -0.00 0.15 1.06 -0.09 0.09 0.00 0.00 178.44 179.65 1bw5 h ARG 19 N 0.33 0.05 -0.28 1.13 2.43 -0.76 0.52 114.38 117.80 1bw5 h ARG 19 Ca 0.38 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1bw5 h ARG 19 Cb 0.99 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1bw5 h ARG 19 CO -0.11 0.03 -0.14 1.79 -1.51 0.00 0.00 179.97 180.04 1bw5 h THR 20 N 0.05 1.30 0.00 0.20 1.35 -1.38 -1.47 112.91 112.95 1bw5 h THR 20 Ca 0.80 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1bw5 h THR 20 Cb 2.91 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.83 1bw5 h THR 20 CO -0.16 0.39 0.00 0.00 -0.25 0.00 0.00 175.52 175.50 1bw5 h TYR 22 N 0.00 0.60 -0.22 0.00 5.03 -1.64 0.46 116.97 121.19 1bw5 h TYR 22 Ca 0.00 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.36 1bw5 h TYR 22 Cb 0.00 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1bw5 h TYR 22 CO 0.18 0.01 0.15 0.00 -1.32 0.00 0.00 178.16 177.18 1bw5 h ALA 23 N 1.65 1.89 0.01 1.82 0.00 -1.22 -3.18 119.26 120.22 1bw5 h ALA 23 Ca 0.50 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 55.01 1bw5 h ALA 23 Cb 0.87 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1bw5 h ALA 23 CO -0.48 0.09 -2.41 0.00 0.00 0.00 0.00 179.25 176.46 1bw5 n ALA 24 N -2.51 1.40 -3.18 0.00 0.00 0.01 -4.92 120.51 111.31 1bw5 n ALA 24 Ca 0.01 -1.09 0.02 0.00 0.00 0.00 0.00 53.44 52.37 1bw5 n ALA 24 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.36 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 -6.40 -1.27 -0.00 0.00 3.04 0.14 -5.03 114.94 105.42 1bw5 s ASN 25 Ca -0.29 0.08 -0.06 0.00 0.04 0.00 0.00 52.86 52.63 1bw5 s ASN 25 Cb 0.08 1.87 -0.26 0.00 -1.54 0.00 0.00 41.25 41.40 1bw5 s ASN 25 CO 0.66 -0.31 3.50 -0.81 -3.04 0.00 0.00 177.10 177.10 1bw5 n PRO 26 N 5.41 1.92 -3.12 0.43 -0.04 -1.21 -4.16 135.00 134.23 1bw5 n PRO 26 Ca 0.04 -0.96 -0.07 0.00 -0.04 0.00 0.00 63.50 62.47 1bw5 n PRO 26 Cb 0.53 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 1.08 0.87 0.73 0.54 3.52 -1.26 -5.04 118.95 119.40 1bw5 s ARG 27 Ca 0.64 -0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 55.32 1bw5 s ARG 27 Cb 0.31 -0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.49 1bw5 s ARG 27 CO -0.00 -1.26 1.05 -1.25 -0.81 0.00 0.00 175.30 173.03 1bw5 s PRO 28 N 1.26 2.03 0.00 5.12 0.04 -1.26 -5.07 135.00 137.11 1bw5 s PRO 28 Ca 0.22 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1bw5 s PRO 28 Cb -0.05 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1bw5 s PRO 28 CO -0.07 -1.37 0.00 -0.40 0.04 0.00 0.00 177.00 175.20 1bw5 n ASP 29 N -3.01 0.00 -0.35 6.66 5.68 -1.26 -4.96 116.55 119.30 1bw5 n ASP 29 Ca 0.09 -0.73 0.25 0.00 -0.50 0.00 0.00 54.79 53.90 1bw5 n ASP 29 Cb 0.60 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.09 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bw5 h ALA 30 N 2.00 2.19 -2.72 2.12 0.00 -1.99 -0.63 119.26 120.23 1bw5 h ALA 30 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 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 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 179.82 1bw5 n LEU 31 N -4.80 2.01 -0.35 0.00 4.77 -1.26 -4.18 117.00 113.19 1bw5 n LEU 31 Ca 0.30 0.18 0.30 0.00 -0.03 0.00 0.00 56.01 56.75 1bw5 n LEU 31 Cb 1.00 -0.05 0.61 0.00 -2.33 0.00 0.00 43.42 42.65 1bw5 n LEU 31 CO 0.19 -0.05 1.26 0.24 -1.33 0.00 0.00 177.39 177.70 1bw5 h MET 32 N 0.00 0.21 -0.35 3.23 2.86 -1.95 0.15 114.93 119.08 1bw5 h MET 32 Ca 0.00 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1bw5 h MET 32 Cb 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1bw5 h MET 32 CO 0.00 0.14 0.59 1.57 1.06 0.00 0.00 176.91 180.27 1bw5 h LYS 33 N 0.22 0.00 0.14 1.72 2.10 -1.27 -1.93 116.57 117.55 1bw5 h LYS 33 Ca 0.63 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.28 1bw5 h LYS 33 Cb 1.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.29 1bw5 h LYS 33 CO -0.23 0.00 -0.07 1.49 -2.00 0.00 0.00 179.45 178.64 1bw5 h GLU 34 N 0.00 -0.19 -0.25 0.07 4.81 -0.87 -3.29 114.58 114.86 1bw5 h GLU 34 Ca 0.17 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1bw5 h GLU 34 Cb 1.35 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1bw5 h GLU 34 CO -0.00 -0.12 0.12 0.37 -0.73 0.00 0.00 179.01 178.64 1bw5 h GLN 35 N -0.28 0.34 -0.98 1.92 5.75 -1.61 -2.39 115.11 117.86 1bw5 h GLN 35 Ca -0.02 -0.03 0.22 0.00 -0.15 0.00 0.00 58.65 58.67 1bw5 h GLN 35 Cb 0.15 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 28.54 1bw5 h GLN 35 CO 0.03 0.27 0.62 -0.07 -2.65 0.00 0.00 178.83 177.04 1bw5 h LEU 36 N 0.35 0.56 0.49 -2.39 -0.00 -1.46 -1.69 115.31 111.16 1bw5 h LEU 36 Ca 0.09 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1bw5 h LEU 36 Cb 0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 1bw5 h LEU 36 CO -0.01 0.18 -0.47 0.58 -0.00 0.00 0.00 178.44 178.72 1bw5 h VAL 37 N 0.54 0.07 0.00 1.22 2.07 -1.49 -2.22 116.25 116.44 1bw5 h VAL 37 Ca 0.55 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.04 1bw5 h VAL 37 Cb 1.16 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1bw5 h VAL 37 CO -0.29 0.00 -0.11 -0.08 0.02 0.00 0.00 177.57 177.11 1bw5 h GLU 38 N -0.96 0.00 -0.80 1.57 4.81 -1.49 1.44 114.58 119.15 1bw5 h GLU 38 Ca -0.06 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1bw5 h GLU 38 Cb 0.84 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.14 1bw5 h GLU 38 CO -0.05 0.11 0.44 0.52 -0.73 0.00 0.00 179.01 179.30 1bw5 h MET 39 N 0.00 0.72 0.00 1.92 2.86 -0.70 -3.14 114.93 116.59 1bw5 h MET 39 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1bw5 h MET 39 Cb 0.23 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1bw5 h MET 39 CO 0.01 0.48 -0.29 -2.37 1.06 0.00 0.00 176.91 175.80 1bw5 n THR 40 N -4.77 0.00 -0.65 2.22 5.66 -1.06 -4.98 114.28 110.70 1bw5 n THR 40 Ca 0.13 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1bw5 n THR 40 Cb 0.28 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 69.99 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 1.24 1.10 3.84 1.09 0.00 0.49 -4.98 105.19 107.96 1bw5 n GLY 41 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.69 1.18 0.99 1.02 -1.23 -4.94 118.68 119.39 1bw5 s LEU 42 Ca 0.00 1.60 -0.16 0.00 0.02 0.00 0.00 54.13 55.59 1bw5 s LEU 42 Cb 0.00 -4.52 0.28 0.00 0.02 0.00 0.00 46.19 41.97 1bw5 s LEU 42 CO 0.00 -0.54 1.05 -0.44 0.02 0.00 0.00 176.35 176.43 1bw5 s SER 43 N -2.88 1.02 0.48 2.29 0.01 -1.26 -4.70 113.70 108.65 1bw5 s SER 43 Ca 0.60 1.07 0.27 0.00 1.31 0.00 0.00 55.95 59.20 1bw5 s SER 43 Cb -0.10 -1.63 1.02 0.00 0.21 0.00 0.00 66.02 65.53 1bw5 s SER 43 CO 0.28 -4.11 1.86 1.55 0.41 0.00 0.00 173.24 173.22 1bw5 h PRO 44 N -2.57 0.00 0.16 12.44 0.13 -1.96 -3.30 132.00 136.90 1bw5 h PRO 44 Ca -0.53 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1bw5 h PRO 44 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1bw5 h PRO 44 CO 0.45 0.13 -0.47 0.00 -0.23 0.00 0.00 178.00 177.89 1bw5 h ARG 45 N 0.00 -0.68 -0.66 0.86 2.47 -2.01 -1.85 114.38 112.53 1bw5 h ARG 45 Ca -0.00 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1bw5 h ARG 45 Cb 0.69 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.14 1bw5 h ARG 45 CO 0.02 -0.45 0.40 0.28 0.56 0.00 0.00 179.97 180.77 1bw5 h VAL 46 N -0.70 1.19 -0.19 2.04 2.07 -1.95 -2.48 116.25 116.24 1bw5 h VAL 46 Ca -0.01 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1bw5 h VAL 46 Cb 0.69 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1bw5 h VAL 46 CO -0.23 0.20 -0.40 0.40 0.02 0.00 0.00 177.57 177.56 1bw5 h ILE 47 N 0.89 0.00 0.59 4.57 1.08 -1.54 0.67 117.51 123.76 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 -0.03 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.70 1bw5 h ILE 47 CO -0.04 0.00 -0.51 -0.09 -0.69 0.00 0.00 178.15 176.82 1bw5 h ARG 48 N -0.36 -1.03 -0.09 2.37 2.43 -1.28 -2.77 114.38 113.65 1bw5 h ARG 48 Ca 0.04 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1bw5 h ARG 48 Cb 0.47 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1bw5 h ARG 48 CO -0.37 -0.69 0.06 -0.24 -1.51 0.00 0.00 179.97 177.23 1bw5 h VAL 49 N -1.07 0.88 0.06 0.20 3.04 -1.22 -2.72 116.25 115.42 1bw5 h VAL 49 Ca -0.08 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.63 1bw5 h VAL 49 Cb 0.90 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 1bw5 h VAL 49 CO -0.02 0.00 -0.15 -0.25 -1.01 0.00 0.00 177.57 176.14 1bw5 h TRP 50 N 0.00 -0.38 -0.48 3.17 7.01 0.65 -2.47 115.95 123.45 1bw5 h TRP 50 Ca 0.04 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.14 1bw5 h TRP 50 Cb 0.17 0.16 -0.07 0.00 -2.10 0.00 0.00 29.16 27.32 1bw5 h TRP 50 CO 0.00 -0.22 0.03 0.74 -2.79 0.00 0.00 178.44 176.20 1bw5 h PHE 51 N -0.28 0.03 0.08 2.65 0.04 -1.48 -1.82 116.94 116.16 1bw5 h PHE 51 Ca 0.03 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1bw5 h PHE 51 Cb 0.31 0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1bw5 h PHE 51 CO -0.18 -0.07 -0.19 0.37 -0.60 0.00 0.00 178.31 177.64 1bw5 h GLN 52 N 0.15 -0.29 -0.41 1.51 -0.00 -1.44 -2.90 115.11 111.73 1bw5 h GLN 52 Ca 0.24 0.02 0.09 0.00 -0.00 0.00 0.00 58.65 59.00 1bw5 h GLN 52 Cb 0.35 0.07 -0.09 0.00 0.00 0.00 0.00 27.48 27.81 1bw5 h GLN 52 CO -0.37 -0.19 -0.20 -0.91 0.00 0.00 0.00 178.83 177.16 1bw5 h ASN 53 N -0.30 -0.68 -0.87 -0.69 2.35 -1.33 -2.59 115.58 111.47 1bw5 h ASN 53 Ca -0.01 0.16 0.17 0.00 -0.55 0.00 0.00 56.30 56.07 1bw5 h ASN 53 Cb 0.29 0.37 -0.16 0.00 0.05 0.00 0.00 38.32 38.86 1bw5 h ASN 53 CO -0.09 -0.23 -0.24 0.50 -1.65 0.00 0.00 177.43 175.72 1bw5 h LYS 54 N -0.12 -0.01 -0.05 0.81 1.63 -1.18 -0.42 116.57 117.22 1bw5 h LYS 54 Ca 0.20 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.02 1bw5 h LYS 54 Cb 0.43 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.01 1bw5 h LYS 54 CO -0.48 -0.01 -0.49 0.00 -3.45 0.00 0.00 179.45 175.02 1bw5 h ARG 55 N -0.01 -0.56 -0.44 1.90 3.08 -1.27 1.03 114.38 118.11 1bw5 h ARG 55 Ca 0.40 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.52 1bw5 h ARG 55 Cb 0.63 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 1bw5 h ARG 55 CO -0.89 -0.37 0.23 0.00 -1.07 0.00 0.00 179.97 177.87 1bw5 h LYS 57 N 0.46 0.41 -0.30 0.00 3.64 -0.53 -3.42 116.57 116.84 1bw5 h LYS 57 Ca 0.19 -0.11 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 1bw5 h LYS 57 Cb 0.07 -0.05 -0.18 0.00 -0.41 0.00 0.00 32.23 31.67 1bw5 h LYS 57 CO -0.12 0.55 -0.10 0.34 -2.27 0.00 0.00 179.45 177.85 1bw5 s ASP 58 N -6.81 -0.47 0.00 4.20 -1.08 0.35 -5.07 116.67 107.80 1bw5 s ASP 58 Ca -0.07 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 1bw5 s ASP 58 Cb 0.15 0.91 0.00 0.00 -1.46 0.00 0.00 42.92 42.52 1bw5 s ASP 58 CO 0.76 -0.07 0.31 0.29 0.52 0.00 0.00 175.17 176.99 1bw5 n LYS 59 N 4.38 0.00 0.00 4.34 5.02 -0.35 -4.37 118.16 127.18 1bw5 n LYS 59 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1bw5 n LYS 59 Cb 0.60 -0.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bw5 n LYS 60 N -0.43 0.00 -3.66 1.97 4.76 -1.26 -4.92 118.16 114.62 1bw5 n LYS 60 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1bw5 n LYS 60 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1bw5 n ARG 61 N 0.00 -2.59 -0.32 1.97 0.63 -1.26 -4.94 116.66 110.14 1bw5 n ARG 61 Ca 0.00 0.55 -0.30 0.00 -0.92 0.00 0.00 57.85 57.17 1bw5 n ARG 61 Cb 0.00 -4.68 0.29 0.00 0.45 0.00 0.00 32.46 28.52 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 -3.81 -1.18 0.14 6.15 0.01 -1.26 -4.93 113.70 108.82 1bw5 s SER 62 Ca 0.29 0.90 -0.30 0.00 1.31 0.00 0.00 55.95 58.15 1bw5 s SER 62 Cb -0.09 -1.28 -0.07 0.00 0.21 0.00 0.00 66.02 64.80 1bw5 s SER 62 CO 0.84 -5.44 1.01 -0.63 0.41 0.00 0.00 173.24 169.43 1bw5 s ILE 63 N -2.22 4.25 0.22 1.44 1.01 -1.26 -5.00 121.20 119.64 1bw5 s ILE 63 Ca 0.68 1.90 -0.30 0.00 0.00 0.00 0.00 60.65 62.93 1bw5 s ILE 63 Cb -0.14 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.03 1bw5 s ILE 63 CO 0.58 0.31 1.37 -0.32 0.00 0.00 0.00 174.94 176.88 1bw5 s MET 64 N -0.16 4.34 -0.12 2.79 1.75 -1.26 -4.34 119.30 122.30 1bw5 s MET 64 Ca 0.48 2.16 -0.06 0.00 -1.25 0.00 0.00 55.69 57.02 1bw5 s MET 64 Cb -0.26 -3.16 0.02 0.00 2.84 0.00 0.00 34.83 34.28 1bw5 s MET 64 CO 0.32 -0.33 0.11 -0.12 -0.65 0.00 0.00 175.02 174.35 1bw5 n MET 65 N 2.50 -2.97 0.00 4.11 0.00 -1.26 -5.33 117.12 114.16 1bw5 n MET 65 Ca 0.06 2.40 0.14 0.00 -0.00 0.00 0.00 57.70 60.30 1bw5 n MET 65 Cb 0.42 -3.32 0.56 0.00 0.00 0.00 0.00 33.22 30.87 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60