#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 3.19 0.00 2.12 2.20 -1.26 -5.01 119.74 120.99 1bw5 s LYS 2 Ca 0.00 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1bw5 s LYS 2 Cb 0.00 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1bw5 s LYS 2 CO 0.00 -0.61 0.00 -2.37 -0.36 0.00 0.00 175.35 172.01 1bw5 n THR 3 N 5.12 0.00 -2.76 3.43 5.66 -1.26 -5.10 114.28 119.37 1bw5 n THR 3 Ca -0.12 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.87 1bw5 n THR 3 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1bw5 n THR 4 N 0.00-11.45 0.00 1.09 -1.04 -1.26 -5.03 114.28 96.60 1bw5 n THR 4 Ca 0.00 1.68 0.00 0.00 -2.04 0.00 0.00 64.05 63.69 1bw5 n THR 4 Cb 0.00 -6.78 0.00 0.00 -1.82 0.00 0.00 70.33 61.73 1bw5 n THR 4 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bw5 n ARG 5 N 0.62 3.11 -3.39 -2.82 1.74 -1.26 -4.81 116.66 109.85 1bw5 n ARG 5 Ca 0.01 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 1bw5 n ARG 5 Cb 0.08 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.53 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1bw5 n VAL 6 N 0.00 -7.37 -3.63 1.55 0.31 -1.26 -4.94 118.33 102.99 1bw5 n VAL 6 Ca 0.00 -0.30 -0.40 0.00 -0.01 0.00 0.00 64.34 63.63 1bw5 n VAL 6 Cb 0.00 -5.29 -0.10 0.00 -0.91 0.00 0.00 33.84 27.54 1bw5 n VAL 6 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1bw5 s ARG 7 N -4.06 2.56 0.94 5.55 0.52 -1.26 -5.09 118.95 118.11 1bw5 s ARG 7 Ca 0.08 -1.47 -0.15 0.00 -0.52 0.00 0.00 55.73 53.67 1bw5 s ARG 7 Cb -0.02 -3.74 0.17 0.00 0.52 0.00 0.00 34.95 31.88 1bw5 s ARG 7 CO 0.81 -0.94 1.25 0.95 0.02 0.00 0.00 175.30 177.39 1bw5 s THR 8 N 1.40 1.96 -0.21 0.02 -4.23 -1.26 -5.07 115.64 108.25 1bw5 s THR 8 Ca 0.03 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.50 1bw5 s THR 8 Cb -0.23 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 70.76 1bw5 s THR 8 CO 0.02 0.00 0.09 -0.69 -0.54 0.00 0.00 174.62 173.50 1bw5 s VAL 9 N -3.67 0.03 0.00 2.29 1.01 -1.26 -5.14 120.40 113.65 1bw5 s VAL 9 Ca 0.70 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1bw5 s VAL 9 Cb -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1bw5 s VAL 9 CO 0.52 -0.41 0.00 0.18 0.00 0.00 0.00 175.10 175.40 1bw5 n LEU 10 N 5.23 0.00 0.00 3.92 4.77 -1.26 -5.12 117.00 124.53 1bw5 n LEU 10 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1bw5 n LEU 10 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1bw5 n LEU 10 CO 0.09 -0.38 0.00 -0.46 -1.33 0.00 0.00 177.39 175.31 1bw5 n ASN 11 N -2.28 0.00 0.20 -1.43 0.23 -1.26 -5.00 115.26 105.73 1bw5 n ASN 11 Ca 0.00 -0.42 0.11 0.00 -0.53 0.00 0.00 54.58 53.74 1bw5 n ASN 11 Cb 0.00 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.27 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 4.57 -2.00 -2.63 114.58 110.69 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46 1bw5 n LYS 13 N -2.32 0.00 0.27 1.92 5.02 -1.26 -2.44 118.16 119.35 1bw5 n LYS 13 Ca -0.01 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1bw5 n LYS 13 Cb 0.22 -0.79 0.70 0.00 -0.02 0.00 0.00 35.03 35.14 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 0.88 1.97 7.50 -1.98 -3.00 115.11 120.48 1bw5 h GLN 14 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1bw5 h GLN 14 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.54 1bw5 h GLN 14 CO 0.00 0.02 -0.42 -0.07 -1.50 0.00 0.00 178.83 176.85 1bw5 h LEU 15 N 0.00 -1.00 -0.71 1.46 -0.00 -1.58 -2.66 115.31 110.82 1bw5 h LEU 15 Ca -0.00 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.07 1bw5 h LEU 15 Cb 0.03 0.26 -0.11 0.00 -0.00 0.00 0.00 40.66 40.84 1bw5 h LEU 15 CO 0.00 -0.71 0.15 -0.74 -0.00 0.00 0.00 178.44 177.14 1bw5 h HIS 16 N -1.19 0.22 0.18 1.13 2.76 -1.33 1.00 115.15 117.92 1bw5 h HIS 16 Ca -0.12 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 1bw5 h HIS 16 Cb 0.91 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 1bw5 h HIS 16 CO -0.01 -0.10 -0.16 1.15 -1.30 0.00 0.00 177.93 177.51 1bw5 h THR 17 N 0.25 0.00 -0.85 6.26 2.02 -1.54 -2.55 112.91 116.50 1bw5 h THR 17 Ca 0.40 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.77 1bw5 h THR 17 Cb 0.67 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1bw5 h THR 17 CO -0.51 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 175.88 1bw5 h LEU 18 N -0.34 0.36 -1.97 2.58 3.38 -1.15 -1.99 115.31 116.19 1bw5 h LEU 18 Ca -0.02 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.37 1bw5 h LEU 18 Cb 0.29 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1bw5 h LEU 18 CO -0.01 0.16 0.97 0.03 0.09 0.00 0.00 178.44 179.68 1bw5 h ARG 19 N 0.37 0.01 -0.34 1.13 3.08 -0.36 0.13 114.38 118.41 1bw5 h ARG 19 Ca 0.43 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.40 1bw5 h ARG 19 Cb 1.11 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1bw5 h ARG 19 CO -0.14 0.01 -0.12 1.79 -1.07 0.00 0.00 179.97 180.43 1bw5 h THR 20 N 0.01 1.28 0.29 2.04 1.35 -1.43 -1.22 112.91 115.24 1bw5 h THR 20 Ca 0.65 -1.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.29 1bw5 h THR 20 Cb 2.58 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 70.37 1bw5 h THR 20 CO -0.02 0.40 -0.16 0.00 -0.25 0.00 0.00 175.52 175.48 1bw5 h TYR 22 N -0.41 0.95 -0.04 0.00 5.03 -1.63 0.26 116.97 121.13 1bw5 h TYR 22 Ca -0.04 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.31 1bw5 h TYR 22 Cb 0.33 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.32 1bw5 h TYR 22 CO 0.08 0.14 0.31 0.00 -1.32 0.00 0.00 178.16 177.37 1bw5 h ALA 23 N 1.67 1.38 0.00 1.82 0.00 -0.93 -2.51 119.26 120.70 1bw5 h ALA 23 Ca 0.60 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.19 1bw5 h ALA 23 Cb 1.14 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1bw5 h ALA 23 CO -0.39 -0.33 -1.87 0.00 0.00 0.00 0.00 179.25 176.66 1bw5 n ALA 24 N -1.96 0.99 -3.65 0.00 0.00 0.87 -5.00 120.51 111.77 1bw5 n ALA 24 Ca -0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 53.44 52.52 1bw5 n ALA 24 Cb 0.37 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.66 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 -7.02 -0.93 -0.12 0.00 -0.87 -0.94 -5.03 114.94 100.02 1bw5 s ASN 25 Ca -0.33 1.46 -0.06 0.00 -1.57 0.00 0.00 52.86 52.36 1bw5 s ASN 25 Cb 0.10 1.52 -0.23 0.00 -0.02 0.00 0.00 41.25 42.62 1bw5 s ASN 25 CO 0.50 -0.23 3.29 -0.81 -2.57 0.00 0.00 177.10 177.27 1bw5 n PRO 26 N 4.58 1.94 -2.75 -0.60 -0.04 -1.25 -4.35 135.00 132.52 1bw5 n PRO 26 Ca -0.18 -1.00 -0.04 0.00 -0.04 0.00 0.00 63.50 62.24 1bw5 n PRO 26 Cb 0.56 -2.02 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.64 0.53 -2.12 0.54 0.63 -1.26 -5.12 116.66 112.51 1bw5 n ARG 27 Ca 0.42 -1.95 -0.28 0.00 -0.92 0.00 0.00 57.85 55.11 1bw5 n ARG 27 Cb 0.78 -1.39 0.16 0.00 0.45 0.00 0.00 32.46 32.46 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1bw5 s PRO 28 N 0.86 1.04 0.00 -0.14 0.04 -1.26 -5.09 135.00 130.44 1bw5 s PRO 28 Ca 0.30 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1bw5 s PRO 28 Cb 0.02 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1bw5 s PRO 28 CO -0.07 -2.08 0.00 -0.40 0.04 0.00 0.00 177.00 174.50 1bw5 n ASP 29 N -3.47 0.00 -0.38 6.66 5.75 -1.26 -4.98 116.55 118.87 1bw5 n ASP 29 Ca 0.15 -0.97 0.30 0.00 -0.01 0.00 0.00 54.79 54.25 1bw5 n ASP 29 Cb 0.60 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.28 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bw5 h ALA 30 N 2.00 2.55 -3.00 2.12 0.00 -1.98 0.50 119.26 121.44 1bw5 h ALA 30 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 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 -1.04 0.00 1.28 0.00 0.00 0.00 179.25 179.49 1bw5 n LEU 31 N -4.59 0.45 0.19 0.00 7.99 -1.26 -3.65 117.00 116.13 1bw5 n LEU 31 Ca 0.30 0.38 0.12 0.00 -0.01 0.00 0.00 56.01 56.80 1bw5 n LEU 31 Cb 1.15 0.00 0.66 0.00 -0.11 0.00 0.00 43.42 45.12 1bw5 n LEU 31 CO 0.26 0.00 1.11 0.24 -1.51 0.00 0.00 177.39 177.48 1bw5 h MET 32 N 0.00 0.00 -0.94 3.23 2.86 -1.93 -2.76 114.93 115.39 1bw5 h MET 32 Ca 0.00 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.87 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 0.49 -0.22 1.06 0.00 0.00 176.91 178.24 1bw5 h LYS 33 N 0.00 0.48 0.68 1.72 3.64 -0.99 -0.15 116.57 121.96 1bw5 h LYS 33 Ca 0.07 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1bw5 h LYS 33 Cb 0.30 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1bw5 h LYS 33 CO -0.00 0.32 -0.32 1.49 -2.27 0.00 0.00 179.45 178.67 1bw5 h GLU 34 N 0.50 -0.88 -0.88 1.90 4.81 -1.55 -3.07 114.58 115.41 1bw5 h GLU 34 Ca 0.59 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.89 1bw5 h GLU 34 Cb 1.10 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1bw5 h GLU 34 CO -0.49 -0.57 0.58 1.96 -0.73 0.00 0.00 179.01 179.76 1bw5 h GLN 35 N -0.97 1.14 -1.04 1.92 7.50 -1.52 -2.60 115.11 119.55 1bw5 h GLN 35 Ca -0.09 -0.07 0.28 0.00 0.50 0.00 0.00 58.65 59.27 1bw5 h GLN 35 Cb 0.71 -0.26 -0.12 0.00 0.05 0.00 0.00 27.48 27.87 1bw5 h GLN 35 CO 0.15 0.76 0.64 -0.07 -1.50 0.00 0.00 178.83 178.81 1bw5 h LEU 36 N 1.18 0.53 -0.95 1.46 -0.00 -0.96 0.61 115.31 117.19 1bw5 h LEU 36 Ca 0.33 0.12 0.02 0.00 -0.00 0.00 0.00 57.88 58.35 1bw5 h LEU 36 Cb -0.11 0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.54 1bw5 h LEU 36 CO -0.08 0.05 0.63 0.58 -0.00 0.00 0.00 178.44 179.61 1bw5 h VAL 37 N 0.44 1.21 -0.71 1.22 2.07 -1.41 -2.04 116.25 117.02 1bw5 h VAL 37 Ca 0.65 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 1bw5 h VAL 37 Cb 1.49 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1bw5 h VAL 37 CO -0.42 0.23 0.44 -0.08 0.02 0.00 0.00 177.57 177.76 1bw5 h GLU 38 N 1.25 0.96 -0.10 1.57 4.81 0.13 0.83 114.58 124.04 1bw5 h GLU 38 Ca 0.36 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1bw5 h GLU 38 Cb -0.09 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.04 1bw5 h GLU 38 CO -0.09 0.67 -0.22 0.52 -0.73 0.00 0.00 179.01 179.15 1bw5 h MET 39 N 0.97 -0.29 0.00 1.92 2.86 -0.94 -3.21 114.93 116.24 1bw5 h MET 39 Ca 0.26 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1bw5 h MET 39 Cb -0.05 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1bw5 h MET 39 CO -0.05 -0.19 -1.60 -2.37 1.06 0.00 0.00 176.91 173.76 1bw5 n THR 40 N -5.35 0.00 -0.38 2.22 5.66 -1.18 -4.98 114.28 110.27 1bw5 n THR 40 Ca -0.03 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1bw5 n THR 40 Cb 0.27 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 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 2.01 3.88 1.09 0.00 0.29 -5.02 105.19 108.83 1bw5 n GLY 41 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 2.43 0.93 0.99 1.02 -1.24 -4.97 118.68 117.84 1bw5 s LEU 42 Ca 0.00 0.75 -0.12 0.00 0.02 0.00 0.00 54.13 54.77 1bw5 s LEU 42 Cb 0.00 -3.15 0.15 0.00 0.02 0.00 0.00 46.19 43.21 1bw5 s LEU 42 CO 0.00 -2.13 1.12 -0.44 0.02 0.00 0.00 176.35 174.92 1bw5 s SER 43 N -4.53 3.31 0.46 2.29 0.01 -1.26 -4.73 113.70 109.25 1bw5 s SER 43 Ca 0.64 1.06 0.26 0.00 1.31 0.00 0.00 55.95 59.22 1bw5 s SER 43 Cb -0.11 -1.67 0.84 0.00 0.21 0.00 0.00 66.02 65.29 1bw5 s SER 43 CO 0.50 -2.69 1.79 1.55 0.41 0.00 0.00 173.24 174.80 1bw5 h PRO 44 N -1.59 0.00 0.32 12.44 0.13 -1.96 -3.31 132.00 138.03 1bw5 h PRO 44 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1bw5 h PRO 44 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1bw5 h PRO 44 CO 0.60 0.13 -0.40 0.00 -0.23 0.00 0.00 178.00 178.10 1bw5 h ARG 45 N 0.00 -0.74 -0.31 0.86 2.47 -2.02 -2.57 114.38 112.07 1bw5 h ARG 45 Ca -0.00 0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1bw5 h ARG 45 Cb 0.80 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 1bw5 h ARG 45 CO 0.02 -0.50 0.14 0.28 0.56 0.00 0.00 179.97 180.47 1bw5 h VAL 46 N -0.77 1.11 -0.26 2.04 2.07 -1.96 -2.89 116.25 115.59 1bw5 h VAL 46 Ca -0.02 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.24 1bw5 h VAL 46 Cb 0.71 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1bw5 h VAL 46 CO -0.11 0.13 -0.18 0.40 0.02 0.00 0.00 177.57 177.83 1bw5 h ILE 47 N 0.42 0.50 0.14 4.57 1.08 -1.57 -2.34 117.51 120.30 1bw5 h ILE 47 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1bw5 h ILE 47 Cb 0.05 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 1bw5 h ILE 47 CO -0.01 0.00 -0.36 -0.09 -0.69 0.00 0.00 178.15 176.99 1bw5 h ARG 48 N -0.16 -0.54 -0.46 2.37 1.12 -1.44 -2.46 114.38 112.81 1bw5 h ARG 48 Ca 0.14 0.04 0.13 0.00 -1.11 0.00 0.00 59.98 59.18 1bw5 h ARG 48 Cb 0.38 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.44 1bw5 h ARG 48 CO -0.36 -0.36 0.37 -0.39 -3.11 0.00 0.00 179.97 176.12 1bw5 h VAL 49 N -0.56 0.64 0.70 0.20 -1.51 -1.60 -3.01 116.25 111.11 1bw5 h VAL 49 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.42 1bw5 h VAL 49 Cb 0.54 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1bw5 h VAL 49 CO -0.17 0.00 -0.36 -0.25 -1.23 0.00 0.00 177.57 175.56 1bw5 h TRP 50 N 0.00 -0.95 -1.03 5.19 7.01 -0.92 -2.88 115.95 122.37 1bw5 h TRP 50 Ca 0.22 -0.02 0.26 0.00 2.11 0.00 0.00 58.89 61.46 1bw5 h TRP 50 Cb 0.95 0.32 -0.10 0.00 -2.10 0.00 0.00 29.16 28.23 1bw5 h TRP 50 CO 0.00 -0.57 0.65 0.74 -2.79 0.00 0.00 178.44 176.47 1bw5 h PHE 51 N -0.97 0.78 0.00 2.65 0.04 -1.55 -1.94 116.94 115.95 1bw5 h PHE 51 Ca -0.09 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1bw5 h PHE 51 Cb 0.75 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1bw5 h PHE 51 CO 0.02 0.06 0.00 1.04 -0.60 0.00 0.00 178.31 178.83 1bw5 n GLN 52 N -4.72 0.00 -0.27 1.51 1.13 -1.10 -2.87 117.38 111.07 1bw5 n GLN 52 Ca 0.26 0.32 0.21 0.00 -1.94 0.00 0.00 57.00 55.84 1bw5 n GLN 52 Cb 0.84 -1.21 0.52 0.00 0.11 0.00 0.00 30.24 30.49 1bw5 n GLN 52 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 1bw5 h ASN 53 N 0.00 0.40 -0.30 1.08 7.08 -1.46 -2.48 115.58 119.91 1bw5 h ASN 53 Ca 0.00 0.05 0.07 0.00 -3.08 0.00 0.00 56.30 53.34 1bw5 h ASN 53 Cb 0.00 -0.02 -0.08 0.00 -2.08 0.00 0.00 38.32 36.14 1bw5 h ASN 53 CO 0.00 0.13 -0.30 0.50 -2.08 0.00 0.00 177.43 175.68 1bw5 h LYS 54 N 0.39 -0.27 -0.16 4.14 1.63 -1.21 0.14 116.57 121.22 1bw5 h LYS 54 Ca 0.51 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.36 1bw5 h LYS 54 Cb 1.32 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.97 1bw5 h LYS 54 CO -0.21 -0.18 -0.37 -0.09 -3.45 0.00 0.00 179.45 175.15 1bw5 h ARG 55 N -0.28 -0.34 -0.53 1.90 2.43 -1.29 0.16 114.38 116.43 1bw5 h ARG 55 Ca 0.15 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1bw5 h ARG 55 Cb 0.52 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 1bw5 h ARG 55 CO -0.46 -0.22 0.25 0.00 -1.51 0.00 0.00 179.97 178.03 1bw5 h LYS 57 N 0.48 0.36 -0.12 0.00 1.57 -0.02 -3.43 116.57 115.41 1bw5 h LYS 57 Ca 0.24 -0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.25 1bw5 h LYS 57 Cb 0.18 -0.08 -0.18 0.00 0.08 0.00 0.00 32.23 32.23 1bw5 h LYS 57 CO -0.19 0.24 0.06 0.34 -0.57 0.00 0.00 179.45 179.33 1bw5 s ASP 58 N -5.43 -0.19 0.00 0.86 -1.08 0.51 -5.08 116.67 106.25 1bw5 s ASP 58 Ca -0.13 0.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.93 1bw5 s ASP 58 Cb 0.11 1.12 0.00 0.00 -1.46 0.00 0.00 42.92 42.69 1bw5 s ASP 58 CO 0.71 -0.03 0.00 0.29 0.52 0.00 0.00 175.17 176.66 1bw5 n LYS 59 N 5.07 0.00 -2.99 4.34 5.02 -1.12 -4.68 118.16 123.80 1bw5 n LYS 59 Ca 0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 1bw5 n LYS 59 Cb 0.58 -0.17 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 1bw5 n LYS 59 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bw5 s LYS 60 N 0.00 4.52 0.00 1.97 -0.14 -1.26 -4.94 119.74 119.89 1bw5 s LYS 60 Ca 0.00 1.10 0.03 0.00 -1.36 0.00 0.00 55.97 55.74 1bw5 s LYS 60 Cb 0.00 -3.30 0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1bw5 s LYS 60 CO 0.00 0.45 0.87 -2.13 -0.76 0.00 0.00 175.35 173.78 1bw5 n ARG 61 N 2.13 0.00 -0.03 1.68 0.00 -1.26 -4.87 116.66 114.31 1bw5 n ARG 61 Ca -0.04 -0.82 0.02 0.00 -0.00 0.00 0.00 57.85 57.00 1bw5 n ARG 61 Cb 0.49 -0.22 0.02 0.00 0.00 0.00 0.00 32.46 32.76 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bw5 n SER 62 N 0.06 1.69 -4.66 6.15 2.88 -1.26 -5.01 113.62 113.47 1bw5 n SER 62 Ca -0.01 -2.04 -0.38 0.00 -1.33 0.00 0.00 58.87 55.10 1bw5 n SER 62 Cb 0.70 -0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.99 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1bw5 s ILE 63 N -1.14 5.22 -0.26 2.46 -1.09 -1.26 -5.06 121.20 120.07 1bw5 s ILE 63 Ca 0.06 0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 58.98 1bw5 s ILE 63 Cb 0.05 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1bw5 s ILE 63 CO 0.01 0.25 0.11 0.00 -1.23 0.00 0.00 174.94 174.08 1bw5 s MET 64 N 1.40 3.75 -0.20 2.79 0.23 -1.26 -5.08 119.30 120.92 1bw5 s MET 64 Ca 0.16 -0.43 -0.09 0.00 -1.03 0.00 0.00 55.69 54.31 1bw5 s MET 64 Cb -0.15 -3.44 -0.04 0.00 -1.53 0.00 0.00 34.83 29.67 1bw5 s MET 64 CO 0.08 -0.19 0.10 -1.64 -2.03 0.00 0.00 175.02 171.33 1bw5 s MET 65 N 1.66 4.04 0.00 3.16 -1.94 -1.26 -5.30 119.30 119.66 1bw5 s MET 65 Ca 0.07 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 1bw5 s MET 65 Cb -0.15 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.35 1bw5 s MET 65 CO 0.06 0.23 0.00 1.17 -0.01 0.00 0.00 175.02 176.47