#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 -0.79 0.03 5.02 -1.26 -4.77 118.16 116.39 1bw5 n LYS 2 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1bw5 n LYS 2 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.13 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1bw5 n THR 3 N 0.00 0.00 -2.76 -0.18 -1.04 -1.26 -4.92 114.28 104.11 1bw5 n THR 3 Ca 0.00 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.05 61.41 1bw5 n THR 3 Cb 0.00 -0.61 -0.06 0.00 -1.82 0.00 0.00 70.33 67.84 1bw5 n THR 3 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1bw5 s THR 4 N -2.39 4.14 0.47 12.58 -1.32 -1.26 -5.03 115.64 122.83 1bw5 s THR 4 Ca 0.57 2.06 -0.17 0.00 -1.21 0.00 0.00 61.69 62.94 1bw5 s THR 4 Cb -0.21 -4.32 -0.09 0.00 -1.51 0.00 0.00 72.50 66.38 1bw5 s THR 4 CO 0.68 0.48 0.94 -0.13 -2.21 0.00 0.00 174.62 174.38 1bw5 s ARG 5 N -1.04 4.00 0.34 7.08 0.52 -1.26 -5.00 118.95 123.59 1bw5 s ARG 5 Ca 0.41 0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 56.27 1bw5 s ARG 5 Cb -0.25 -2.18 -0.11 0.00 0.52 0.00 0.00 34.95 32.92 1bw5 s ARG 5 CO 0.31 -0.17 1.42 0.54 0.02 0.00 0.00 175.30 177.42 1bw5 s VAL 6 N -2.46 2.37 0.00 3.52 0.11 -1.26 -4.96 120.40 117.71 1bw5 s VAL 6 Ca 0.59 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 60.00 1bw5 s VAL 6 Cb -0.10 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 1bw5 s VAL 6 CO 0.26 0.08 0.00 -2.11 -3.33 0.00 0.00 175.10 170.00 1bw5 n ARG 7 N 0.89 0.00 -2.34 1.54 1.85 -1.26 -4.99 116.66 112.35 1bw5 n ARG 7 Ca 0.02 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.54 1bw5 n ARG 7 Cb 0.40 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.79 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 0.00 3.96 0.70 8.89 2.01 -1.26 -5.06 115.64 124.89 1bw5 s THR 8 Ca 0.00 1.06 -0.03 0.00 0.31 0.00 0.00 61.69 63.02 1bw5 s THR 8 Cb 0.00 -3.48 0.10 0.00 0.01 0.00 0.00 72.50 69.13 1bw5 s THR 8 CO 0.00 -0.43 0.98 -0.69 -0.69 0.00 0.00 174.62 173.79 1bw5 s VAL 9 N -2.29 2.28 0.00 3.82 1.01 -1.26 -5.06 120.40 118.90 1bw5 s VAL 9 Ca 0.64 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1bw5 s VAL 9 Cb -0.15 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1bw5 s VAL 9 CO 0.28 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.56 1bw5 n LEU 10 N -2.83 0.00 0.00 3.92 4.32 -1.26 -5.17 117.00 115.98 1bw5 n LEU 10 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1bw5 n LEU 10 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1bw5 n LEU 10 CO 0.46 0.00 0.00 -0.46 -1.22 0.00 0.00 177.39 176.17 1bw5 n ASN 11 N -0.42 0.00 0.24 -1.43 0.23 -1.26 -5.02 115.26 107.60 1bw5 n ASN 11 Ca 0.00 -0.54 0.17 0.00 -0.53 0.00 0.00 54.58 53.68 1bw5 n ASN 11 Cb 0.00 0.00 0.87 0.00 -2.08 0.00 0.00 39.78 38.57 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 0.00 0.00 -3.83 5.08 -2.03 -2.83 114.58 110.97 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18 1bw5 n LYS 13 N -3.76 0.00 -0.10 2.33 4.81 -1.26 -2.96 118.16 117.22 1bw5 n LYS 13 Ca -0.00 0.43 -0.10 0.00 -0.87 0.00 0.00 58.31 57.77 1bw5 n LYS 13 Cb 0.24 -1.30 -0.02 0.00 0.02 0.00 0.00 35.03 33.96 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1bw5 h GLN 14 N 0.00 0.49 -1.02 1.64 4.20 -1.98 -2.81 115.11 115.63 1bw5 h GLN 14 Ca 0.00 -0.11 0.27 0.00 0.06 0.00 0.00 58.65 58.87 1bw5 h GLN 14 Cb 0.00 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.65 1bw5 h GLN 14 CO 0.00 0.54 0.69 1.25 -0.67 0.00 0.00 178.83 180.64 1bw5 h LEU 15 N 0.35 0.22 -0.45 1.46 5.85 -1.65 -1.10 115.31 120.00 1bw5 h LEU 15 Ca 0.10 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1bw5 h LEU 15 Cb 0.25 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 1bw5 h LEU 15 CO -0.00 0.06 -0.16 -0.74 -0.34 0.00 0.00 178.44 177.26 1bw5 h HIS 16 N 0.21 -0.37 0.00 1.25 2.76 -1.38 0.26 115.15 117.87 1bw5 h HIS 16 Ca 0.52 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.74 1bw5 h HIS 16 Cb 1.68 0.23 0.00 0.00 1.55 0.00 0.00 27.41 30.87 1bw5 h HIS 16 CO -0.00 -0.24 0.00 0.25 -1.30 0.00 0.00 177.93 176.64 1bw5 n THR 17 N -5.36 0.00 -0.35 6.26 -2.24 -0.42 -2.61 114.28 109.56 1bw5 n THR 17 Ca 0.03 1.45 0.26 0.00 -2.27 0.00 0.00 64.05 63.52 1bw5 n THR 17 Cb 0.27 -2.36 0.53 0.00 -2.10 0.00 0.00 70.33 66.67 1bw5 n THR 17 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1bw5 h LEU 18 N 0.00 0.41 -0.98 3.22 3.38 -1.58 0.78 115.31 120.54 1bw5 h LEU 18 Ca 0.00 0.10 0.26 0.00 0.09 0.00 0.00 57.88 58.33 1bw5 h LEU 18 Cb 0.00 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 40.66 1bw5 h LEU 18 CO 0.00 0.01 0.53 -0.09 0.09 0.00 0.00 178.44 178.99 1bw5 h ARG 19 N 0.33 0.46 -0.20 1.13 9.65 -0.23 -1.49 114.38 124.04 1bw5 h ARG 19 Ca 0.65 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 59.42 1bw5 h ARG 19 Cb 1.74 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 30.21 1bw5 h ARG 19 CO -0.35 0.31 -0.19 1.15 2.80 0.00 0.00 179.97 183.69 1bw5 h THR 20 N 0.48 1.33 0.34 0.20 2.02 -0.80 -2.61 112.91 113.86 1bw5 h THR 20 Ca 0.64 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1bw5 h THR 20 Cb 1.28 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1bw5 h THR 20 CO -0.52 0.41 -0.16 0.00 0.37 0.00 0.00 175.52 175.62 1bw5 h TYR 22 N -0.47 0.61 -0.17 0.00 5.03 -1.62 -0.12 116.97 120.22 1bw5 h TYR 22 Ca -0.05 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.35 1bw5 h TYR 22 Cb 0.35 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 1bw5 h TYR 22 CO 0.14 0.00 0.51 0.00 -1.32 0.00 0.00 178.16 177.50 1bw5 h ALA 23 N 1.65 1.73 0.00 1.82 0.00 -1.45 -2.31 119.26 120.71 1bw5 h ALA 23 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1bw5 h ALA 23 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1bw5 h ALA 23 CO -0.48 -0.60 -0.27 0.00 0.00 0.00 0.00 179.25 177.91 1bw5 n ALA 24 N -1.98 1.69 -3.11 0.00 0.00 -0.20 -4.97 120.51 111.95 1bw5 n ALA 24 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1bw5 n ALA 24 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1bw5 n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw5 s ASN 25 N -1.11 -1.26 0.00 0.00 4.22 -0.40 -5.01 114.94 111.38 1bw5 s ASN 25 Ca 0.00 -0.60 -0.00 0.00 -2.14 0.00 0.00 52.86 50.12 1bw5 s ASN 25 Cb 0.00 1.62 -0.02 0.00 1.28 0.00 0.00 41.25 44.13 1bw5 s ASN 25 CO 0.00 -0.14 1.97 -0.81 -2.04 0.00 0.00 177.10 176.08 1bw5 n PRO 26 N 4.31 0.99 -2.97 3.55 -0.04 -1.23 -4.25 135.00 135.35 1bw5 n PRO 26 Ca 0.10 -0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 1bw5 n PRO 26 Cb 0.58 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.93 1bw5 n PRO 26 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bw5 n ARG 27 N 1.59 0.53 -1.98 0.54 1.74 -1.26 -5.10 116.66 112.73 1bw5 n ARG 27 Ca 0.02 -2.41 -0.28 0.00 -0.77 0.00 0.00 57.85 54.41 1bw5 n ARG 27 Cb 0.49 -1.48 0.09 0.00 -1.02 0.00 0.00 32.46 30.54 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1bw5 s PRO 28 N 0.35 2.00 0.00 5.56 0.04 -1.26 -5.10 135.00 136.59 1bw5 s PRO 28 Ca 0.32 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1bw5 s PRO 28 Cb 0.09 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1bw5 s PRO 28 CO -0.14 -1.52 0.00 -0.25 0.04 0.00 0.00 177.00 175.13 1bw5 n ASP 29 N -3.23 0.00 -0.45 6.66 8.00 -1.26 -4.97 116.55 121.31 1bw5 n ASP 29 Ca 0.08 -0.71 0.38 0.00 0.71 0.00 0.00 54.79 55.25 1bw5 n ASP 29 Cb 0.61 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.40 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 1.79 3.03 -3.00 2.24 0.00 -1.98 0.11 119.26 121.44 1bw5 h ALA 30 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bw5 h ALA 30 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bw5 h ALA 30 CO 0.00 -1.52 0.00 -0.11 0.00 0.00 0.00 179.25 177.62 1bw5 n LEU 31 N -4.36 1.52 0.32 0.00 -0.00 -1.26 -3.93 117.00 109.29 1bw5 n LEU 31 Ca 0.34 0.20 0.19 0.00 -0.00 0.00 0.00 56.01 56.73 1bw5 n LEU 31 Cb 1.42 0.00 1.02 0.00 -0.00 0.00 0.00 43.42 45.86 1bw5 n LEU 31 CO 0.33 0.00 1.13 0.24 -0.00 0.00 0.00 177.39 179.09 1bw5 h MET 32 N 0.00 0.00 0.05 1.96 2.86 -1.95 -2.92 114.93 114.94 1bw5 h MET 32 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1bw5 h MET 32 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1bw5 h MET 32 CO 0.00 0.00 -0.49 0.87 1.06 0.00 0.00 176.91 178.35 1bw5 h LYS 33 N 0.00 -0.65 0.12 1.72 1.57 -0.90 0.88 116.57 119.31 1bw5 h LYS 33 Ca 0.00 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1bw5 h LYS 33 Cb 0.24 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1bw5 h LYS 33 CO 0.00 -0.43 -0.13 0.93 -0.57 0.00 0.00 179.45 179.25 1bw5 h GLU 34 N -0.67 -0.27 -0.45 3.15 4.39 -1.64 -2.91 114.58 116.17 1bw5 h GLU 34 Ca 0.02 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1bw5 h GLU 34 Cb 0.71 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1bw5 h GLU 34 CO -0.31 -0.18 0.28 1.96 -1.16 0.00 0.00 179.01 179.60 1bw5 h GLN 35 N -0.28 0.61 -0.99 2.33 1.08 -1.56 -2.38 115.11 113.93 1bw5 h GLN 35 Ca 0.01 -0.05 0.29 0.00 -1.45 0.00 0.00 58.65 57.44 1bw5 h GLN 35 Cb 0.28 -0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 27.44 1bw5 h GLN 35 CO -0.05 0.45 0.54 -0.07 -0.95 0.00 0.00 178.83 178.75 1bw5 h LEU 36 N 0.61 0.51 -0.78 1.46 -0.00 0.97 0.44 115.31 118.53 1bw5 h LEU 36 Ca 0.16 0.17 0.09 0.00 -0.00 0.00 0.00 57.88 58.31 1bw5 h LEU 36 Cb -0.01 0.12 -0.07 0.00 -0.00 0.00 0.00 40.66 40.69 1bw5 h LEU 36 CO -0.03 -0.06 0.43 0.58 -0.00 0.00 0.00 178.44 179.36 1bw5 h VAL 37 N 0.40 0.90 -0.57 1.22 2.07 -1.28 -1.65 116.25 117.34 1bw5 h VAL 37 Ca 0.68 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.92 1bw5 h VAL 37 Cb 1.46 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1bw5 h VAL 37 CO -0.57 0.13 0.20 -0.08 0.02 0.00 0.00 177.57 177.27 1bw5 h GLU 38 N 0.73 0.84 0.45 1.57 4.81 -0.15 1.76 114.58 124.59 1bw5 h GLU 38 Ca 0.38 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1bw5 h GLU 38 Cb 0.35 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1bw5 h GLU 38 CO -0.25 0.71 -0.32 0.52 -0.73 0.00 0.00 179.01 178.94 1bw5 h MET 39 N 0.82 -0.72 0.00 1.92 2.86 -1.05 -3.29 114.93 115.47 1bw5 h MET 39 Ca 0.19 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1bw5 h MET 39 Cb 0.21 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1bw5 h MET 39 CO -0.01 -0.48 -0.93 -2.37 1.06 0.00 0.00 176.91 174.18 1bw5 n THR 40 N -5.45 0.00 -0.85 2.22 5.66 -1.20 -4.97 114.28 109.70 1bw5 n THR 40 Ca -0.11 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1bw5 n THR 40 Cb 0.34 0.88 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 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 1.41 0.38 3.82 1.09 0.00 0.60 -4.99 105.19 107.51 1bw5 n GLY 41 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 2.66 0.92 0.99 2.34 -1.25 -4.97 118.68 119.36 1bw5 s LEU 42 Ca 0.00 1.26 -0.12 0.00 0.06 0.00 0.00 54.13 55.33 1bw5 s LEU 42 Cb 0.00 -3.91 0.14 0.00 -0.56 0.00 0.00 46.19 41.86 1bw5 s LEU 42 CO 0.00 -1.84 1.11 -0.55 -1.06 0.00 0.00 176.35 174.01 1bw5 s SER 43 N -4.01 3.39 0.53 1.48 0.15 -1.26 -4.77 113.70 109.21 1bw5 s SER 43 Ca 0.60 1.17 0.33 0.00 0.70 0.00 0.00 55.95 58.75 1bw5 s SER 43 Cb -0.14 -1.82 1.30 0.00 -1.71 0.00 0.00 66.02 63.65 1bw5 s SER 43 CO 0.54 -2.65 1.95 1.55 1.20 0.00 0.00 173.24 175.83 1bw5 h PRO 44 N -1.56 0.00 0.21 5.44 0.13 -1.97 -3.29 132.00 130.95 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 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1bw5 h PRO 44 CO 0.59 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 178.05 1bw5 h ARG 45 N 0.00 -0.52 -0.83 0.86 3.08 -2.01 -0.97 114.38 113.99 1bw5 h ARG 45 Ca 0.00 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.17 1bw5 h ARG 45 Cb 0.53 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 1bw5 h ARG 45 CO 0.00 -0.34 0.54 0.28 -1.07 0.00 0.00 179.97 179.38 1bw5 h VAL 46 N -0.54 0.99 -0.04 2.04 2.07 -1.94 -2.15 116.25 116.68 1bw5 h VAL 46 Ca -0.02 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1bw5 h VAL 46 Cb 0.49 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1bw5 h VAL 46 CO -0.09 0.15 -0.13 0.40 0.02 0.00 0.00 177.57 177.92 1bw5 h ILE 47 N 0.83 0.67 0.02 4.57 1.08 -1.54 0.19 117.51 123.33 1bw5 h ILE 47 Ca 0.38 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 1bw5 h ILE 47 Cb 0.36 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1bw5 h ILE 47 CO -0.15 0.00 -0.04 0.03 -0.69 0.00 0.00 178.15 177.30 1bw5 h ARG 48 N -0.20 -0.07 -0.33 2.37 3.08 -0.51 -3.01 114.38 115.71 1bw5 h ARG 48 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1bw5 h ARG 48 Cb 0.28 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1bw5 h ARG 48 CO -0.15 -0.04 0.10 -0.24 -1.07 0.00 0.00 179.97 178.56 1bw5 h VAL 49 N -0.07 1.15 0.31 2.04 3.04 -1.55 -3.26 116.25 117.91 1bw5 h VAL 49 Ca -0.00 -0.50 -0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1bw5 h VAL 49 Cb 0.07 0.79 -0.03 0.00 -2.01 0.00 0.00 31.29 30.10 1bw5 h VAL 49 CO -0.02 0.18 -0.51 -0.25 -1.01 0.00 0.00 177.57 175.96 1bw5 h TRP 50 N 0.47 -1.45 -0.64 3.17 7.01 -0.48 -2.41 115.95 121.62 1bw5 h TRP 50 Ca 0.12 0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.27 1bw5 h TRP 50 Cb 0.15 0.59 -0.10 0.00 -2.10 0.00 0.00 29.16 27.70 1bw5 h TRP 50 CO 0.01 -0.63 0.04 0.74 -2.79 0.00 0.00 178.44 175.81 1bw5 h PHE 51 N -0.87 0.03 -0.11 2.65 0.04 -1.58 -2.20 116.94 114.89 1bw5 h PHE 51 Ca -0.03 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1bw5 h PHE 51 Cb 0.81 0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.98 1bw5 h PHE 51 CO -0.36 -0.14 -0.52 0.37 -0.60 0.00 0.00 178.31 177.06 1bw5 h GLN 52 N 0.15 -0.56 -0.37 1.51 4.15 -1.55 -2.55 115.11 115.89 1bw5 h GLN 52 Ca 0.34 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.88 1bw5 h GLN 52 Cb 0.55 0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.28 1bw5 h GLN 52 CO -0.52 -0.38 -0.23 -0.91 -1.93 0.00 0.00 178.83 174.87 1bw5 h ASN 53 N -0.59 -0.76 -0.49 -0.69 2.35 -0.94 -2.06 115.58 112.41 1bw5 h ASN 53 Ca 0.04 0.16 0.10 0.00 -0.55 0.00 0.00 56.30 56.04 1bw5 h ASN 53 Cb 0.68 0.39 -0.09 0.00 0.05 0.00 0.00 38.32 39.35 1bw5 h ASN 53 CO -0.42 -0.26 -0.12 0.11 -1.65 0.00 0.00 177.43 175.09 1bw5 h LYS 54 N -0.17 -0.00 -0.93 0.81 1.79 -1.12 -1.33 116.57 115.62 1bw5 h LYS 54 Ca 0.18 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.89 1bw5 h LYS 54 Cb 0.45 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.98 1bw5 h LYS 54 CO -0.47 -0.00 0.45 0.00 -1.08 0.00 0.00 179.45 178.34 1bw5 h ARG 55 N -0.00 0.40 -0.27 3.15 3.08 -0.99 -1.58 114.38 118.17 1bw5 h ARG 55 Ca 0.23 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.32 1bw5 h ARG 55 Cb 0.36 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1bw5 h ARG 55 CO -0.50 0.26 -0.13 0.00 -1.07 0.00 0.00 179.97 178.53 1bw5 h LYS 57 N -0.09 0.69 -0.67 0.00 3.64 -1.38 -2.82 116.57 115.94 1bw5 h LYS 57 Ca 0.14 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1bw5 h LYS 57 Cb 0.30 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1bw5 h LYS 57 CO -0.33 0.81 0.32 0.22 -2.27 0.00 0.00 179.45 178.21 1bw5 h ASP 58 N 0.62 0.86 -7.01 4.20 3.58 -0.84 -3.46 116.42 114.38 1bw5 h ASP 58 Ca 0.10 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.31 1bw5 h ASP 58 Cb 0.62 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1bw5 h ASP 58 CO 0.04 0.73 -0.24 1.17 -2.88 0.00 0.00 179.24 178.06 1bw5 n LYS 59 N -4.34 -0.88 -3.08 0.28 0.00 -0.29 -2.94 118.16 106.91 1bw5 n LYS 59 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 58.31 58.06 1bw5 n LYS 59 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 35.12 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1bw5 n LYS 60 N -1.93 -1.17 -0.03 1.64 4.81 -1.26 -4.95 118.16 115.28 1bw5 n LYS 60 Ca -0.04 1.18 -0.02 0.00 -0.87 0.00 0.00 58.31 58.57 1bw5 n LYS 60 Cb 0.14 -0.83 -0.05 0.00 0.02 0.00 0.00 35.03 34.30 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1bw5 n ARG 61 N 2.39 2.30 -1.65 1.64 0.63 -1.15 -5.03 116.66 115.79 1bw5 n ARG 61 Ca 0.00 -0.02 -0.31 0.00 -0.92 0.00 0.00 57.85 56.61 1bw5 n ARG 61 Cb 0.06 -1.17 0.06 0.00 0.45 0.00 0.00 32.46 31.85 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 -3.60 5.25 0.00 6.15 0.01 -1.26 -4.96 113.70 115.29 1bw5 s SER 62 Ca -0.03 1.43 0.25 0.00 1.31 0.00 0.00 55.95 58.91 1bw5 s SER 62 Cb 0.03 -2.28 0.44 0.00 0.21 0.00 0.00 66.02 64.42 1bw5 s SER 62 CO 0.28 -1.50 1.37 -0.38 0.41 0.00 0.00 173.24 173.42 1bw5 n ILE 63 N -3.15 0.00 -2.88 1.44 2.08 -1.26 -5.01 119.36 110.59 1bw5 n ILE 63 Ca 0.07 -0.24 -0.08 0.00 0.56 0.00 0.00 62.75 63.06 1bw5 n ILE 63 Cb 0.55 0.86 0.01 0.00 -0.75 0.00 0.00 39.64 40.31 1bw5 n ILE 63 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1bw5 n MET 64 N -0.07 -2.60 -1.98 0.38 1.56 -1.26 -4.97 117.12 108.18 1bw5 n MET 64 Ca 0.12 2.22 0.01 0.00 -0.27 0.00 0.00 57.70 59.78 1bw5 n MET 64 Cb 0.42 -5.15 0.05 0.00 2.15 0.00 0.00 33.22 30.69 1bw5 n MET 64 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1bw5 n MET 65 N 0.06 1.05 0.00 2.12 0.00 -1.26 -5.30 117.12 113.79 1bw5 n MET 65 Ca 0.07 -2.84 0.04 0.00 0.00 0.00 0.00 57.70 54.96 1bw5 n MET 65 Cb 0.35 -0.92 0.25 0.00 0.00 0.00 0.00 33.22 32.90 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60