#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 0.00 2.12 4.76 -1.26 -4.53 118.16 119.25 1bw5 n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1bw5 n LYS 2 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1bw5 n LYS 2 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1bw5 n THR 3 N 0.00 0.00 -3.72 -0.18 5.66 -1.26 -4.60 114.28 110.19 1bw5 n THR 3 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1bw5 n THR 3 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 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 -2.83 -1.83 1.09 -1.04 -1.26 -4.91 114.28 103.49 1bw5 n THR 4 Ca 0.00 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.05 61.58 1bw5 n THR 4 Cb 0.00 -3.59 0.03 0.00 -1.82 0.00 0.00 70.33 64.95 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1bw5 s ARG 5 N -6.38 3.36 0.55 -2.82 1.81 -1.26 -4.93 118.95 109.28 1bw5 s ARG 5 Ca 0.57 2.25 -0.21 0.00 -1.72 0.00 0.00 55.73 56.62 1bw5 s ARG 5 Cb -0.26 -2.39 -0.05 0.00 -0.45 0.00 0.00 34.95 31.80 1bw5 s ARG 5 CO 0.77 -1.02 1.29 0.08 -0.68 0.00 0.00 175.30 175.74 1bw5 s VAL 6 N -1.29 2.34 -0.05 3.52 1.01 -1.26 -4.91 120.40 119.76 1bw5 s VAL 6 Ca 0.68 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1bw5 s VAL 6 Cb -0.40 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 32.92 1bw5 s VAL 6 CO 0.49 -0.02 0.62 -2.11 0.00 0.00 0.00 175.10 174.09 1bw5 n ARG 7 N -1.12 0.20 -3.47 2.72 1.85 -1.26 -5.15 116.66 110.42 1bw5 n ARG 7 Ca 0.11 -0.19 -0.29 0.00 -1.00 0.00 0.00 57.85 56.47 1bw5 n ARG 7 Cb 0.47 0.11 -0.04 0.00 -1.05 0.00 0.00 32.46 31.95 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1bw5 s THR 8 N 0.02 5.07 -0.07 8.89 2.01 -1.26 -5.01 115.64 125.28 1bw5 s THR 8 Ca 0.01 0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.15 1bw5 s THR 8 Cb 0.07 -3.70 0.16 0.00 0.01 0.00 0.00 72.50 69.04 1bw5 s THR 8 CO -0.02 -0.20 1.05 1.33 -0.69 0.00 0.00 174.62 176.10 1bw5 n VAL 9 N -0.59 1.12 -2.58 3.82 0.24 -1.26 -5.06 118.33 114.02 1bw5 n VAL 9 Ca -0.02 -1.33 -0.39 0.00 -2.04 0.00 0.00 64.34 60.56 1bw5 n VAL 9 Cb 0.53 0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 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 -1.66 4.48 0.00 1.34 2.01 -1.26 -5.03 118.68 118.55 1bw5 s LEU 10 Ca 0.17 2.11 0.00 0.00 0.01 0.00 0.00 54.13 56.43 1bw5 s LEU 10 Cb 0.15 -3.76 0.00 0.00 0.01 0.00 0.00 46.19 42.59 1bw5 s LEU 10 CO 0.02 -0.13 0.00 -0.46 1.01 0.00 0.00 176.35 176.78 1bw5 n ASN 11 N 0.96 0.00 -0.26 2.29 0.23 -1.26 -5.01 115.26 112.21 1bw5 n ASN 11 Ca 0.00 -0.50 0.33 0.00 -0.53 0.00 0.00 54.58 53.88 1bw5 n ASN 11 Cb 0.47 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.90 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 -2.77 114.58 110.55 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 -4.05 0.00 -0.34 1.92 5.02 -1.26 -3.59 118.16 115.87 1bw5 n LYS 13 Ca 0.23 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.72 1bw5 n LYS 13 Cb 1.20 -0.52 0.44 0.00 -0.02 0.00 0.00 35.03 36.12 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 0.49 -0.22 1.97 7.50 -1.97 -2.27 115.11 120.60 1bw5 h GLN 14 Ca 0.00 -0.03 0.05 0.00 0.50 0.00 0.00 58.65 59.17 1bw5 h GLN 14 Cb 0.00 -0.11 -0.07 0.00 0.05 0.00 0.00 27.48 27.35 1bw5 h GLN 14 CO 0.00 0.32 -0.44 1.25 -1.50 0.00 0.00 178.83 178.47 1bw5 h LEU 15 N 0.50 -1.39 -0.80 1.46 7.12 -1.65 -1.58 115.31 118.97 1bw5 h LEU 15 Ca 0.62 0.19 0.19 0.00 0.13 0.00 0.00 57.88 59.02 1bw5 h LEU 15 Cb 1.36 0.58 -0.13 0.00 -0.53 0.00 0.00 40.66 41.93 1bw5 h LEU 15 CO -0.39 -0.41 0.13 0.45 -0.13 0.00 0.00 178.44 178.08 1bw5 h HIS 16 N -0.44 0.17 0.28 1.25 3.86 -1.46 0.87 115.15 119.68 1bw5 h HIS 16 Ca 0.09 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1bw5 h HIS 16 Cb 0.62 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 1bw5 h HIS 16 CO -0.54 -0.20 -0.21 1.15 0.86 0.00 0.00 177.93 178.99 1bw5 h THR 17 N 0.18 0.00 -0.84 2.45 2.02 -1.38 -2.62 112.91 112.71 1bw5 h THR 17 Ca 0.47 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.83 1bw5 h THR 17 Cb 0.88 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 1bw5 h THR 17 CO -0.63 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 175.75 1bw5 h LEU 18 N -0.47 0.43 -0.96 2.58 3.38 -1.20 -2.34 115.31 116.73 1bw5 h LEU 18 Ca -0.04 0.03 0.30 0.00 0.09 0.00 0.00 57.88 58.26 1bw5 h LEU 18 Cb 0.39 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.94 1bw5 h LEU 18 CO 0.01 0.20 0.39 -0.09 0.09 0.00 0.00 178.44 179.04 1bw5 h ARG 19 N 0.45 0.20 -0.55 1.13 2.43 -0.44 0.34 114.38 117.94 1bw5 h ARG 19 Ca 0.43 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.49 1bw5 h ARG 19 Cb 0.99 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1bw5 h ARG 19 CO -0.16 0.13 -0.04 1.15 -1.51 0.00 0.00 179.97 179.54 1bw5 h THR 20 N 0.21 1.27 0.47 0.20 2.02 -1.46 -2.40 112.91 113.21 1bw5 h THR 20 Ca 0.67 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1bw5 h THR 20 Cb 1.49 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1bw5 h THR 20 CO -0.68 0.42 -0.23 0.00 0.37 0.00 0.00 175.52 175.41 1bw5 h TYR 22 N -0.65 0.46 -0.53 0.00 5.03 -1.48 1.45 116.97 121.25 1bw5 h TYR 22 Ca -0.06 0.04 0.10 0.00 2.58 0.00 0.00 58.73 61.39 1bw5 h TYR 22 Cb 0.48 -0.07 -0.08 0.00 1.55 0.00 0.00 36.73 38.61 1bw5 h TYR 22 CO 0.12 -0.08 0.06 0.00 -1.32 0.00 0.00 178.16 176.93 1bw5 h ALA 23 N 1.68 0.56 -0.28 1.82 0.00 -1.35 -2.40 119.26 119.29 1bw5 h ALA 23 Ca 0.50 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1bw5 h ALA 23 Cb 0.92 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1bw5 h ALA 23 CO -0.54 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.36 1bw5 n ALA 24 N -2.62 2.38 -2.81 0.00 0.00 -0.45 -4.75 120.51 112.27 1bw5 n ALA 24 Ca 0.07 -0.93 -0.06 0.00 0.00 0.00 0.00 53.44 52.52 1bw5 n ALA 24 Cb 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1bw5 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bw5 n ASN 25 N 1.08 -3.22 -0.09 0.00 3.02 0.48 -4.99 115.26 111.55 1bw5 n ASN 25 Ca 0.15 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 1bw5 n ASN 25 Cb 0.49 1.59 0.00 0.00 -0.61 0.00 0.00 39.78 41.26 1bw5 n ASN 25 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1bw5 n PRO 26 N 2.85 0.81 -2.97 3.52 -0.04 -1.09 -3.75 135.00 134.32 1bw5 n PRO 26 Ca 0.18 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1bw5 n PRO 26 Cb 0.56 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.82 0.95 0.40 0.54 3.00 -1.26 -5.07 118.95 115.69 1bw5 s ARG 27 Ca 0.00 -0.68 -0.02 0.00 -1.00 0.00 0.00 55.73 54.03 1bw5 s ARG 27 Cb 0.00 0.02 0.08 0.00 0.00 0.00 0.00 34.95 35.06 1bw5 s ARG 27 CO 0.00 -1.26 0.55 -0.35 0.00 0.00 0.00 175.30 174.25 1bw5 n PRO 28 N 3.64 0.02 0.00 5.12 -0.04 -1.26 -5.12 135.00 137.36 1bw5 n PRO 28 Ca 0.15 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1bw5 n PRO 28 Cb 0.57 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 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 -3.07 0.00 -0.34 3.54 8.00 -1.26 -5.01 116.55 118.41 1bw5 n ASP 29 Ca 0.08 0.00 0.21 0.00 0.71 0.00 0.00 54.79 55.79 1bw5 n ASP 29 Cb 0.30 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.83 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 2.00 1.90 0.56 2.24 0.00 -1.99 0.92 119.26 124.90 1bw5 h ALA 30 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1bw5 h ALA 30 Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bw5 h ALA 30 CO 0.00 -0.42 -0.27 1.25 0.00 0.00 0.00 179.25 179.81 1bw5 h LEU 31 N 0.47 -0.64 -1.83 0.00 5.85 -2.02 -3.09 115.31 114.05 1bw5 h LEU 31 Ca 0.68 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.42 1bw5 h LEU 31 Cb 1.43 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 1bw5 h LEU 31 CO -0.51 -0.42 0.08 -0.03 -0.34 0.00 0.00 178.44 177.23 1bw5 h MET 32 N -0.84 0.19 -0.94 1.25 4.05 -1.87 -2.34 114.93 114.44 1bw5 h MET 32 Ca -0.08 -0.01 0.27 0.00 -0.28 0.00 0.00 59.70 59.60 1bw5 h MET 32 Cb 0.58 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 1bw5 h MET 32 CO 0.13 0.14 0.72 -0.22 0.23 0.00 0.00 176.91 177.91 1bw5 h LYS 33 N 0.20 0.00 0.00 0.39 3.64 -0.73 -2.21 116.57 117.86 1bw5 h LYS 33 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1bw5 h LYS 33 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1bw5 h LYS 33 CO -0.01 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.56 1bw5 n GLU 34 N -4.10 0.00 0.14 1.90 1.02 -0.88 -3.35 120.64 115.37 1bw5 n GLU 34 Ca 0.20 0.22 0.14 0.00 -0.02 0.00 0.00 57.16 57.69 1bw5 n GLU 34 Cb 1.04 -1.20 0.67 0.00 -0.02 0.00 0.00 31.44 31.93 1bw5 n GLU 34 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1bw5 h GLN 35 N 0.00 0.00 -0.91 3.49 -0.00 -1.75 -2.31 115.11 113.63 1bw5 h GLN 35 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.88 1bw5 h GLN 35 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 27.35 1bw5 h GLN 35 CO 0.00 0.00 0.42 -0.07 -0.00 0.00 0.00 178.83 179.18 1bw5 h LEU 36 N 0.00 0.37 0.04 0.06 -0.00 -1.41 0.81 115.31 115.18 1bw5 h LEU 36 Ca 0.12 0.16 0.02 0.00 -0.00 0.00 0.00 57.88 58.17 1bw5 h LEU 36 Cb 0.47 0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.24 1bw5 h LEU 36 CO -0.00 -0.00 -0.16 0.58 -0.00 0.00 0.00 178.44 178.86 1bw5 h VAL 37 N 0.41 0.62 -0.54 1.22 2.07 -1.41 -2.61 116.25 116.00 1bw5 h VAL 37 Ca 0.58 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.05 1bw5 h VAL 37 Cb 1.11 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1bw5 h VAL 37 CO -0.53 0.00 0.16 -0.33 0.02 0.00 0.00 177.57 176.89 1bw5 h GLU 38 N -0.29 0.82 0.02 1.57 5.08 -1.07 1.61 114.58 122.32 1bw5 h GLU 38 Ca 0.04 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1bw5 h GLU 38 Cb 0.33 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1bw5 h GLU 38 CO -0.12 0.72 -0.33 0.52 -1.00 0.00 0.00 179.01 178.80 1bw5 h MET 39 N 0.80 -0.47 0.00 2.33 2.86 -0.66 -3.22 114.93 116.56 1bw5 h MET 39 Ca 0.18 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1bw5 h MET 39 Cb 0.25 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1bw5 h MET 39 CO -0.01 -0.32 -1.20 -2.37 1.06 0.00 0.00 176.91 174.08 1bw5 n THR 40 N -5.42 0.00 -0.40 2.22 5.66 -1.17 -4.97 114.28 110.20 1bw5 n THR 40 Ca -0.05 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1bw5 n THR 40 Cb 0.33 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 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 1.46 1.80 3.86 1.09 0.00 0.55 -5.00 105.19 108.95 1bw5 n GLY 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.25 1.19 0.99 1.02 -1.25 -4.96 118.68 118.92 1bw5 s LEU 42 Ca 0.00 1.46 -0.17 0.00 0.02 0.00 0.00 54.13 55.44 1bw5 s LEU 42 Cb 0.00 -4.48 0.28 0.00 0.02 0.00 0.00 46.19 42.01 1bw5 s LEU 42 CO 0.00 -0.94 1.05 -0.55 0.02 0.00 0.00 176.35 175.94 1bw5 s SER 43 N -4.03 0.95 0.50 2.29 0.15 -1.26 -4.71 113.70 107.59 1bw5 s SER 43 Ca 0.56 0.97 0.29 0.00 0.70 0.00 0.00 55.95 58.47 1bw5 s SER 43 Cb -0.11 -1.46 1.08 0.00 -1.71 0.00 0.00 66.02 63.81 1bw5 s SER 43 CO 0.52 -4.14 1.88 1.55 1.20 0.00 0.00 173.24 174.25 1bw5 h PRO 44 N -2.59 0.00 -0.06 5.44 0.13 -1.97 -3.34 132.00 129.61 1bw5 h PRO 44 Ca -0.51 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1bw5 h PRO 44 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1bw5 h PRO 44 CO 0.43 0.06 -0.21 0.00 -0.23 0.00 0.00 178.00 178.06 1bw5 h ARG 45 N 0.00 -0.20 -0.59 0.86 2.47 -2.00 -0.68 114.38 114.23 1bw5 h ARG 45 Ca -0.00 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.78 1bw5 h ARG 45 Cb 0.66 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.98 1bw5 h ARG 45 CO 0.01 -0.14 0.32 0.28 0.56 0.00 0.00 179.97 181.01 1bw5 h VAL 46 N -0.21 0.98 0.41 2.04 2.07 -1.96 -2.78 116.25 116.81 1bw5 h VAL 46 Ca 0.01 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1bw5 h VAL 46 Cb 0.25 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1bw5 h VAL 46 CO -0.17 0.11 -0.45 0.40 0.02 0.00 0.00 177.57 177.49 1bw5 h ILE 47 N 0.62 0.12 0.37 4.57 1.08 -1.57 0.27 117.51 122.96 1bw5 h ILE 47 Ca 0.26 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.72 1bw5 h ILE 47 Cb 0.13 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 33.97 1bw5 h ILE 47 CO -0.16 0.00 -0.48 0.03 -0.69 0.00 0.00 178.15 176.85 1bw5 h ARG 48 N -0.88 -0.86 -0.13 2.37 3.08 -1.05 -2.45 114.38 114.46 1bw5 h ARG 48 Ca -0.04 0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1bw5 h ARG 48 Cb 0.79 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1bw5 h ARG 48 CO -0.08 -0.57 0.02 -0.24 -1.07 0.00 0.00 179.97 178.03 1bw5 h VAL 49 N -0.89 1.07 0.45 2.04 3.04 -1.47 -3.11 116.25 117.39 1bw5 h VAL 49 Ca -0.04 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 1bw5 h VAL 49 Cb 0.81 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 31.02 1bw5 h VAL 49 CO -0.12 0.09 -0.51 -0.25 -1.01 0.00 0.00 177.57 175.77 1bw5 h TRP 50 N 0.18 -1.43 0.19 3.17 7.01 0.03 0.21 115.95 125.31 1bw5 h TRP 50 Ca 0.05 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1bw5 h TRP 50 Cb 0.09 0.56 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 1bw5 h TRP 50 CO 0.00 -0.67 -0.37 0.74 -2.79 0.00 0.00 178.44 175.35 1bw5 h PHE 51 N -0.98 -1.03 0.01 2.65 0.04 -1.47 0.63 116.94 116.79 1bw5 h PHE 51 Ca -0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1bw5 h PHE 51 Cb 0.86 0.43 -0.00 0.00 2.20 0.00 0.00 35.95 39.44 1bw5 h PHE 51 CO -0.28 -0.49 -0.04 0.37 -0.60 0.00 0.00 178.31 177.27 1bw5 h GLN 52 N -0.65 -0.05 -0.83 1.51 4.15 -1.48 -2.01 115.11 115.75 1bw5 h GLN 52 Ca 0.01 0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.64 1bw5 h GLN 52 Cb 0.65 0.01 -0.13 0.00 0.21 0.00 0.00 27.48 28.22 1bw5 h GLN 52 CO -0.18 -0.03 0.18 -0.97 -1.93 0.00 0.00 178.83 175.90 1bw5 h ASN 53 N -0.05 -0.07 -0.56 -0.69 -1.24 -0.51 -0.21 115.58 112.24 1bw5 h ASN 53 Ca -0.00 0.19 0.11 0.00 0.71 0.00 0.00 56.30 57.31 1bw5 h ASN 53 Cb 0.05 0.27 -0.09 0.00 0.73 0.00 0.00 38.32 39.28 1bw5 h ASN 53 CO -0.02 -0.13 0.03 0.50 -1.29 0.00 0.00 177.43 176.51 1bw5 h LYS 54 N 0.20 0.14 -0.11 6.67 1.63 0.77 -1.14 116.57 124.73 1bw5 h LYS 54 Ca 0.50 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.32 1bw5 h LYS 54 Cb 0.95 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.48 1bw5 h LYS 54 CO -0.63 0.09 -0.51 -0.09 -3.45 0.00 0.00 179.45 174.86 1bw5 h ARG 55 N 0.14 -0.56 -0.58 1.90 2.43 -0.32 1.35 114.38 118.75 1bw5 h ARG 55 Ca 0.29 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.57 1bw5 h ARG 55 Cb 0.45 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1bw5 h ARG 55 CO -0.46 -0.37 0.26 0.00 -1.51 0.00 0.00 179.97 177.89 1bw5 h LYS 57 N 0.48 0.40 -3.47 0.00 1.57 -0.20 -3.33 116.57 112.01 1bw5 h LYS 57 Ca 0.28 -0.18 -0.22 0.00 -1.87 0.00 0.00 60.65 58.66 1bw5 h LYS 57 Cb 0.27 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1bw5 h LYS 57 CO -0.24 0.71 1.78 -0.25 -0.57 0.00 0.00 179.45 180.88 1bw5 n ASP 58 N -4.06 3.08 -0.02 0.86 9.92 0.46 -4.53 116.55 122.26 1bw5 n ASP 58 Ca -0.01 -2.16 -0.12 0.00 -0.53 0.00 0.00 54.79 51.97 1bw5 n ASP 58 Cb 0.47 -0.84 -0.06 0.00 -0.64 0.00 0.00 41.12 40.04 1bw5 n ASP 58 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1bw5 h LYS 59 N 6.57 0.16 -2.00 -1.24 1.63 -1.75 -3.41 116.57 116.52 1bw5 h LYS 59 Ca 0.29 -0.04 -0.32 0.00 -0.85 0.00 0.00 60.65 59.73 1bw5 h LYS 59 Cb 0.18 -0.02 -0.32 0.00 -0.60 0.00 0.00 32.23 31.47 1bw5 h LYS 59 CO 1.16 0.31 -0.64 -1.59 -3.45 0.00 0.00 179.45 175.24 1bw5 s LYS 60 N -5.39 0.46 -1.01 1.90 -2.85 -1.26 -5.03 119.74 106.55 1bw5 s LYS 60 Ca -0.14 -0.37 -0.06 0.00 -1.00 0.00 0.00 55.97 54.40 1bw5 s LYS 60 Cb 0.06 -0.62 -0.06 0.00 -2.06 0.00 0.00 37.83 35.14 1bw5 s LYS 60 CO 0.69 -1.09 2.27 0.54 0.10 0.00 0.00 175.35 177.86 1bw5 n ARG 61 N 4.92 2.35 -0.60 1.78 5.12 -1.26 -4.90 116.66 124.06 1bw5 n ARG 61 Ca 0.03 -1.56 -0.14 0.00 -1.93 0.00 0.00 57.85 54.25 1bw5 n ARG 61 Cb 0.46 -2.49 0.12 0.00 -1.16 0.00 0.00 32.46 29.39 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1bw5 n SER 62 N 4.04 -1.16 -0.08 0.55 3.41 -1.26 -5.00 113.62 114.12 1bw5 n SER 62 Ca 0.50 -0.92 0.03 0.00 -0.26 0.00 0.00 58.87 58.22 1bw5 n SER 62 Cb 0.16 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1bw5 n ILE 63 N -3.46 0.00 -1.28 -1.33 -0.00 -1.26 -5.12 119.36 106.91 1bw5 n ILE 63 Ca 0.07 -0.42 0.08 0.00 -0.00 0.00 0.00 62.75 62.48 1bw5 n ILE 63 Cb 0.28 1.04 -0.02 0.00 -0.00 0.00 0.00 39.64 40.95 1bw5 n ILE 63 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 176.55 176.78 1bw5 n MET 64 N -0.61 -1.17 -3.67 0.38 2.81 -1.26 -4.82 117.12 108.79 1bw5 n MET 64 Ca 0.02 0.77 -0.25 0.00 -1.81 0.00 0.00 57.70 56.43 1bw5 n MET 64 Cb 0.10 -1.42 -0.02 0.00 -0.71 0.00 0.00 33.22 31.17 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1bw5 s MET 65 N -1.23 3.49 0.00 0.03 -1.94 -1.26 -5.32 119.30 113.07 1bw5 s MET 65 Ca 0.00 -0.45 0.28 0.00 -1.71 0.00 0.00 55.69 53.81 1bw5 s MET 65 Cb 0.00 -2.80 1.10 0.00 2.01 0.00 0.00 34.83 35.14 1bw5 s MET 65 CO 0.00 0.33 1.77 1.17 -0.01 0.00 0.00 175.02 178.28