#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 -1.42 -1.63 0.03 2.85 -1.26 -4.80 118.16 111.93 1bw5 n LYS 2 Ca 0.00 -0.37 -0.43 0.00 -1.05 0.00 0.00 58.31 56.46 1bw5 n LYS 2 Cb 0.00 -2.12 -0.03 0.00 -0.65 0.00 0.00 35.03 32.23 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1bw5 n THR 3 N -4.49 0.57 -2.98 0.58 -2.24 -1.26 -4.91 114.28 99.55 1bw5 n THR 3 Ca 0.06 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1bw5 n THR 3 Cb 0.54 -2.42 -0.03 0.00 -2.10 0.00 0.00 70.33 66.33 1bw5 n THR 3 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1bw5 n THR 4 N 6.57 -0.43 -1.70 4.28 5.66 -1.26 -5.13 114.28 122.26 1bw5 n THR 4 Ca 0.25 -1.92 0.00 0.00 -3.05 0.00 0.00 64.05 59.33 1bw5 n THR 4 Cb 0.42 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1bw5 n THR 4 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1bw5 n ARG 5 N 2.81 0.00 -3.78 1.09 0.63 -1.26 -5.10 116.66 111.05 1bw5 n ARG 5 Ca 0.22 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.78 1bw5 n ARG 5 Cb 0.54 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.32 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1bw5 s VAL 6 N 0.45 3.90 -0.03 5.15 1.01 -1.26 -4.91 120.40 124.71 1bw5 s VAL 6 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1bw5 s VAL 6 Cb 0.00 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.46 1bw5 s VAL 6 CO 0.00 0.12 0.97 0.54 0.00 0.00 0.00 175.10 176.73 1bw5 n ARG 7 N 4.86 0.40 -0.14 2.72 5.12 -1.26 -5.09 116.66 123.26 1bw5 n ARG 7 Ca -0.15 -1.30 -0.11 0.00 -1.93 0.00 0.00 57.85 54.36 1bw5 n ARG 7 Cb 0.48 -0.73 0.11 0.00 -1.16 0.00 0.00 32.46 31.16 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1bw5 n THR 8 N -0.33 0.00 -2.11 0.55 -2.24 -1.26 -4.98 114.28 103.91 1bw5 n THR 8 Ca 0.03 -0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1bw5 n THR 8 Cb 0.64 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -3.93 0.00 -2.91 2.28 0.24 -1.26 -5.08 118.33 107.68 1bw5 n VAL 9 Ca 0.05 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.34 61.74 1bw5 n VAL 9 Cb 0.22 0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 1bw5 n VAL 9 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1bw5 s LEU 10 N 0.00 4.43 0.00 1.34 1.98 -1.26 -4.97 118.68 120.20 1bw5 s LEU 10 Ca 0.07 1.51 0.00 0.00 -2.89 0.00 0.00 54.13 52.82 1bw5 s LEU 10 Cb 0.08 -3.33 0.00 0.00 0.66 0.00 0.00 46.19 43.61 1bw5 s LEU 10 CO -0.04 -0.05 0.00 -0.46 -1.89 0.00 0.00 176.35 173.91 1bw5 n ASN 11 N 3.06 0.00 0.01 3.68 0.23 -1.26 -4.98 115.26 115.99 1bw5 n ASN 11 Ca -0.00 -0.72 0.23 0.00 -0.53 0.00 0.00 54.58 53.55 1bw5 n ASN 11 Cb 0.50 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.91 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 4.39 -1.99 -0.44 114.58 112.71 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 179.02 1bw5 n LYS 13 N -3.76 0.00 0.01 2.33 0.00 -1.26 -3.67 118.16 111.81 1bw5 n LYS 13 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 58.31 58.90 1bw5 n LYS 13 Cb 0.78 -1.19 0.31 0.00 0.00 0.00 0.00 35.03 34.92 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1bw5 h GLN 14 N 0.00 0.50 -0.76 1.64 4.20 -1.91 -3.09 115.11 115.69 1bw5 h GLN 14 Ca 0.00 -0.10 0.14 0.00 0.06 0.00 0.00 58.65 58.74 1bw5 h GLN 14 Cb 0.00 -0.07 -0.14 0.00 0.30 0.00 0.00 27.48 27.57 1bw5 h GLN 14 CO 0.00 0.53 -0.29 1.25 -0.67 0.00 0.00 178.83 179.66 1bw5 h LEU 15 N 0.48 -1.03 -0.77 1.46 7.12 -1.21 -0.27 115.31 121.07 1bw5 h LEU 15 Ca 0.10 0.25 0.17 0.00 0.13 0.00 0.00 57.88 58.53 1bw5 h LEU 15 Cb 0.33 0.58 -0.14 0.00 -0.53 0.00 0.00 40.66 40.89 1bw5 h LEU 15 CO 0.01 -0.28 -0.07 0.45 -0.13 0.00 0.00 178.44 178.42 1bw5 h HIS 16 N -0.06 -0.19 0.24 1.25 3.86 -1.61 -1.80 115.15 116.84 1bw5 h HIS 16 Ca 0.32 0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.58 1bw5 h HIS 16 Cb 0.58 0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 1bw5 h HIS 16 CO -0.68 -0.29 -0.17 1.15 0.86 0.00 0.00 177.93 178.80 1bw5 h THR 17 N 0.05 0.00 -0.95 2.45 2.02 -1.21 -2.94 112.91 112.34 1bw5 h THR 17 Ca 0.41 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.80 1bw5 h THR 17 Cb 0.70 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.99 1bw5 h THR 17 CO -0.73 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 175.61 1bw5 h LEU 18 N -0.38 0.59 -1.38 2.58 3.38 -1.50 0.41 115.31 119.00 1bw5 h LEU 18 Ca -0.03 0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.30 1bw5 h LEU 18 Cb 0.31 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1bw5 h LEU 18 CO 0.02 0.13 0.64 -0.09 0.09 0.00 0.00 178.44 179.22 1bw5 h ARG 19 N 0.58 0.43 -0.55 1.13 2.43 -1.15 0.12 114.38 117.38 1bw5 h ARG 19 Ca 0.58 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.62 1bw5 h ARG 19 Cb 1.03 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1bw5 h ARG 19 CO -0.45 0.29 -0.07 1.79 -1.51 0.00 0.00 179.97 180.02 1bw5 h THR 20 N 0.45 1.26 0.86 0.20 1.35 -0.83 -2.40 112.91 113.80 1bw5 h THR 20 Ca 0.54 -1.20 -0.04 0.00 -0.55 0.00 0.00 66.41 65.16 1bw5 h THR 20 Cb 1.30 0.91 0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1bw5 h THR 20 CO -0.26 0.43 -0.41 0.00 -0.25 0.00 0.00 175.52 175.03 1bw5 h TYR 22 N -1.16 -0.08 -0.46 0.00 3.20 -1.53 0.57 116.97 117.50 1bw5 h TYR 22 Ca -0.12 0.04 0.13 0.00 3.14 0.00 0.00 58.73 61.93 1bw5 h TYR 22 Cb 0.89 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 1bw5 h TYR 22 CO 0.03 -0.14 0.37 0.00 -1.64 0.00 0.00 178.16 176.78 1bw5 h ALA 23 N 1.47 2.32 0.01 1.82 0.00 -1.37 -2.14 119.26 121.37 1bw5 h ALA 23 Ca 0.26 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.82 1bw5 h ALA 23 Cb 0.39 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1bw5 h ALA 23 CO -0.45 -0.61 -2.01 0.00 0.00 0.00 0.00 179.25 176.18 1bw5 n ALA 24 N -2.53 1.43 -3.15 0.00 0.00 -0.01 -4.91 120.51 111.33 1bw5 n ALA 24 Ca 0.08 -0.96 0.05 0.00 0.00 0.00 0.00 53.44 52.61 1bw5 n ALA 24 Cb 0.58 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 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 -6.02 -0.99 0.00 0.00 3.84 -0.03 -5.03 114.94 106.71 1bw5 s ASN 25 Ca -0.10 0.48 0.00 0.00 0.21 0.00 0.00 52.86 53.45 1bw5 s ASN 25 Cb 0.07 1.77 0.00 0.00 -0.55 0.00 0.00 41.25 42.55 1bw5 s ASN 25 CO 0.81 -0.18 1.58 -0.81 -2.79 0.00 0.00 177.10 175.70 1bw5 n PRO 26 N 5.41 0.89 -3.20 0.43 -0.04 -1.19 -4.29 135.00 133.01 1bw5 n PRO 26 Ca -0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 1bw5 n PRO 26 Cb 0.53 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.19 0.81 0.38 0.54 3.52 -1.26 -5.10 118.95 118.04 1bw5 s ARG 27 Ca 0.00 -0.50 -0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1bw5 s ARG 27 Cb 0.00 -0.11 0.08 0.00 -1.56 0.00 0.00 34.95 33.36 1bw5 s ARG 27 CO 0.00 -1.21 0.52 -0.35 -0.81 0.00 0.00 175.30 173.46 1bw5 n PRO 28 N 4.21 0.02 -2.20 5.12 -0.04 -1.26 -5.12 135.00 135.73 1bw5 n PRO 28 Ca 0.12 -1.22 -0.02 0.00 -0.04 0.00 0.00 63.50 62.35 1bw5 n PRO 28 Cb 0.54 -0.41 0.01 0.00 -0.04 0.00 0.00 33.50 33.60 1bw5 n PRO 28 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bw5 n ASP 29 N -3.08 -0.71 -0.01 3.54 5.68 -1.26 -5.00 116.55 115.71 1bw5 n ASP 29 Ca 0.08 -1.42 0.23 0.00 -0.50 0.00 0.00 54.79 53.18 1bw5 n ASP 29 Cb 0.28 1.16 0.70 0.00 -1.14 0.00 0.00 41.12 42.13 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 2.38 -3.00 2.12 0.00 -2.00 -0.04 119.26 120.72 1bw5 h ALA 30 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bw5 h ALA 30 Cb 0.44 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bw5 h ALA 30 CO 0.14 -0.91 0.00 -0.11 0.00 0.00 0.00 179.25 178.37 1bw5 n LEU 31 N -3.73 1.24 0.05 0.00 -0.00 -1.26 -3.60 117.00 109.70 1bw5 n LEU 31 Ca 0.12 0.24 0.10 0.00 -0.00 0.00 0.00 56.01 56.47 1bw5 n LEU 31 Cb 0.82 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 44.79 1bw5 n LEU 31 CO 0.29 0.00 1.15 -0.03 -0.00 0.00 0.00 177.39 178.79 1bw5 h MET 32 N 0.00 0.26 -1.09 1.96 4.05 -1.95 -2.09 114.93 116.08 1bw5 h MET 32 Ca 0.00 -0.02 0.30 0.00 -0.28 0.00 0.00 59.70 59.70 1bw5 h MET 32 Cb 0.00 -0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 30.65 1bw5 h MET 32 CO 0.00 0.17 0.71 -0.22 0.23 0.00 0.00 176.91 177.80 1bw5 h LYS 33 N 0.27 0.30 0.57 0.39 3.64 -1.13 0.40 116.57 121.01 1bw5 h LYS 33 Ca 0.16 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1bw5 h LYS 33 Cb 0.28 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1bw5 h LYS 33 CO -0.03 0.20 -0.27 1.49 -2.27 0.00 0.00 179.45 178.57 1bw5 h GLU 34 N 0.31 -0.73 -0.12 1.90 4.81 -1.43 -3.12 114.58 116.20 1bw5 h GLU 34 Ca 0.62 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.86 1bw5 h GLU 34 Cb 1.72 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.26 1bw5 h GLU 34 CO -0.29 -0.43 -0.10 0.37 -0.73 0.00 0.00 179.01 177.83 1bw5 h GLN 35 N -1.05 0.17 -1.07 1.92 5.75 -1.37 -2.83 115.11 116.64 1bw5 h GLN 35 Ca -0.08 -0.03 0.29 0.00 -0.15 0.00 0.00 58.65 58.68 1bw5 h GLN 35 Cb 0.65 -0.03 -0.11 0.00 1.07 0.00 0.00 27.48 29.06 1bw5 h GLN 35 CO 0.13 0.29 0.67 -0.07 -2.65 0.00 0.00 178.83 177.20 1bw5 h LEU 36 N 0.17 0.46 -0.05 -2.39 -0.00 -0.20 0.14 115.31 113.44 1bw5 h LEU 36 Ca 0.04 0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1bw5 h LEU 36 Cb 0.29 0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1bw5 h LEU 36 CO 0.02 0.04 0.03 0.58 -0.00 0.00 0.00 178.44 179.11 1bw5 h VAL 37 N 0.38 1.05 -0.87 1.22 2.07 -1.56 -2.72 116.25 115.82 1bw5 h VAL 37 Ca 0.64 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 68.06 1bw5 h VAL 37 Cb 1.60 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 1bw5 h VAL 37 CO -0.36 0.04 0.57 -0.08 0.02 0.00 0.00 177.57 177.77 1bw5 h GLU 38 N 0.03 1.04 -0.79 1.57 4.81 -0.91 2.24 114.58 122.57 1bw5 h GLU 38 Ca 0.02 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1bw5 h GLU 38 Cb 0.04 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1bw5 h GLU 38 CO -0.00 0.69 0.45 0.52 -0.73 0.00 0.00 179.01 179.94 1bw5 h MET 39 N 1.07 1.09 0.00 1.92 2.86 -1.09 -3.16 114.93 117.61 1bw5 h MET 39 Ca 0.35 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1bw5 h MET 39 Cb 0.06 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1bw5 h MET 39 CO -0.11 0.79 -1.10 -2.37 1.06 0.00 0.00 176.91 175.18 1bw5 n THR 40 N -4.45 0.00 -0.91 2.22 5.66 -1.06 -4.97 114.28 110.77 1bw5 n THR 40 Ca 0.08 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1bw5 n THR 40 Cb 0.08 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.50 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 1.48 0.40 3.94 1.09 0.00 0.75 -4.99 105.19 107.87 1bw5 n GLY 41 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 2.82 0.72 0.99 2.34 -1.21 -4.97 118.68 119.37 1bw5 s LEU 42 Ca 0.00 0.25 -0.11 0.00 0.06 0.00 0.00 54.13 54.33 1bw5 s LEU 42 Cb 0.00 -2.70 0.03 0.00 -0.56 0.00 0.00 46.19 42.95 1bw5 s LEU 42 CO 0.00 -1.90 1.08 -0.94 -1.06 0.00 0.00 176.35 173.52 1bw5 s SER 43 N -4.64 5.00 0.40 1.48 1.04 -1.26 -4.75 113.70 110.97 1bw5 s SER 43 Ca 0.64 1.75 0.22 0.00 0.48 0.00 0.00 55.95 59.04 1bw5 s SER 43 Cb -0.08 -2.51 0.52 0.00 0.10 0.00 0.00 66.02 64.05 1bw5 s SER 43 CO 0.46 -1.70 1.66 1.55 0.98 0.00 0.00 173.24 176.19 1bw5 h PRO 44 N -0.76 0.00 0.01 4.02 0.13 -1.97 -3.30 132.00 130.13 1bw5 h PRO 44 Ca -0.44 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1bw5 h PRO 44 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1bw5 h PRO 44 CO 0.54 0.23 -0.27 0.00 -0.23 0.00 0.00 178.00 178.27 1bw5 h ARG 45 N 0.00 -0.40 -0.70 0.86 -0.00 -2.02 -2.44 114.38 109.67 1bw5 h ARG 45 Ca -0.00 0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 1bw5 h ARG 45 Cb 1.00 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 31.03 1bw5 h ARG 45 CO 0.03 -0.27 0.41 0.28 0.00 0.00 0.00 179.97 180.42 1bw5 h VAL 46 N -0.41 1.21 -0.82 2.04 2.07 -1.97 -3.08 116.25 115.29 1bw5 h VAL 46 Ca 0.06 -0.48 0.13 0.00 0.82 0.00 0.00 66.70 67.23 1bw5 h VAL 46 Cb 0.49 0.26 -0.14 0.00 -1.52 0.00 0.00 31.29 30.38 1bw5 h VAL 46 CO -0.23 0.22 -0.36 0.40 0.02 0.00 0.00 177.57 177.62 1bw5 h ILE 47 N 0.96 0.08 0.00 4.57 1.08 -1.52 0.06 117.51 122.74 1bw5 h ILE 47 Ca 0.25 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.72 1bw5 h ILE 47 Cb -0.00 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1bw5 h ILE 47 CO -0.04 0.00 0.00 -1.14 -0.69 0.00 0.00 178.15 176.28 1bw5 n ARG 48 N -5.46 0.00 -0.06 2.37 0.63 -1.16 -2.62 116.66 110.36 1bw5 n ARG 48 Ca 0.08 0.66 0.24 0.00 -0.92 0.00 0.00 57.85 57.90 1bw5 n ARG 48 Cb 0.38 -1.49 0.71 0.00 0.45 0.00 0.00 32.46 32.52 1bw5 n ARG 48 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 1bw5 h VAL 49 N 0.00 0.61 0.27 5.15 3.04 -1.55 -3.04 116.25 120.73 1bw5 h VAL 49 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1bw5 h VAL 49 Cb 0.00 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 29.92 1bw5 h VAL 49 CO 0.00 0.00 -0.20 -0.25 -1.01 0.00 0.00 177.57 176.11 1bw5 h TRP 50 N 0.00 -0.53 -0.96 3.17 7.01 -0.74 -2.75 115.95 121.15 1bw5 h TRP 50 Ca 0.32 -0.00 0.29 0.00 2.11 0.00 0.00 58.89 61.60 1bw5 h TRP 50 Cb 1.31 0.20 -0.14 0.00 -2.10 0.00 0.00 29.16 28.42 1bw5 h TRP 50 CO 0.00 -0.28 0.46 0.74 -2.79 0.00 0.00 178.44 176.57 1bw5 h PHE 51 N -0.45 0.75 0.00 2.65 0.04 -1.55 -0.47 116.94 117.92 1bw5 h PHE 51 Ca -0.04 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bw5 h PHE 51 Cb 0.37 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1bw5 h PHE 51 CO -0.03 -0.16 0.00 1.04 -0.60 0.00 0.00 178.31 178.56 1bw5 n GLN 52 N -5.09 0.00 -0.23 1.51 6.02 -1.09 -2.71 117.38 115.78 1bw5 n GLN 52 Ca 0.28 0.24 0.31 0.00 -0.01 0.00 0.00 57.00 57.82 1bw5 n GLN 52 Cb 0.86 -1.15 0.73 0.00 1.02 0.00 0.00 30.24 31.70 1bw5 n GLN 52 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1bw5 h ASN 53 N 0.00 0.00 -0.99 1.08 7.08 -1.26 -0.15 115.58 121.34 1bw5 h ASN 53 Ca 0.00 0.00 0.16 0.00 -3.08 0.00 0.00 56.30 53.38 1bw5 h ASN 53 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 36.15 1bw5 h ASN 53 CO 0.00 0.00 0.62 0.50 -2.08 0.00 0.00 177.43 176.47 1bw5 h LYS 54 N 0.00 0.82 -0.10 4.14 1.63 -0.88 -1.67 116.57 120.51 1bw5 h LYS 54 Ca 0.47 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.25 1bw5 h LYS 54 Cb 1.93 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 33.34 1bw5 h LYS 54 CO -0.00 0.54 -0.07 0.00 -3.45 0.00 0.00 179.45 176.46 1bw5 h ARG 55 N 0.84 -0.08 -0.74 1.90 2.47 -0.94 -0.18 114.38 117.65 1bw5 h ARG 55 Ca 0.53 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 59.27 1bw5 h ARG 55 Cb 0.72 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.02 1bw5 h ARG 55 CO -0.31 -0.05 0.48 0.00 0.56 0.00 0.00 179.97 180.65 1bw5 h LYS 57 N 0.96 0.38 -0.64 0.00 1.57 -0.97 -2.97 116.57 114.89 1bw5 h LYS 57 Ca 0.28 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1bw5 h LYS 57 Cb -0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1bw5 h LYS 57 CO -0.08 0.46 0.05 0.22 -0.57 0.00 0.00 179.45 179.53 1bw5 h ASP 58 N 0.22 1.07 -3.65 0.86 3.58 -0.73 -3.47 116.42 114.30 1bw5 h ASP 58 Ca 0.08 -0.28 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 1bw5 h ASP 58 Cb 0.24 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1bw5 h ASP 58 CO -0.00 1.09 -0.14 1.17 -2.88 0.00 0.00 179.24 178.48 1bw5 n LYS 59 N -4.19 -0.20 -3.33 0.28 4.81 0.70 -1.78 118.16 114.43 1bw5 n LYS 59 Ca 0.04 0.13 -0.15 0.00 -0.87 0.00 0.00 58.31 57.46 1bw5 n LYS 59 Cb 0.33 -0.24 0.01 0.00 0.02 0.00 0.00 35.03 35.14 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 -0.33 -1.64 -3.48 1.64 4.76 -1.26 -4.95 118.16 112.91 1bw5 n LYS 60 Ca -0.02 1.34 -0.38 0.00 -2.87 0.00 0.00 58.31 56.38 1bw5 n LYS 60 Cb 0.08 -4.10 -0.06 0.00 -1.84 0.00 0.00 35.03 29.11 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1bw5 s ARG 61 N -3.52 4.06 0.04 1.97 3.52 -0.74 -5.07 118.95 119.21 1bw5 s ARG 61 Ca 0.09 0.34 -0.18 0.00 -0.13 0.00 0.00 55.73 55.85 1bw5 s ARG 61 Cb -0.02 -3.31 -0.06 0.00 -1.56 0.00 0.00 34.95 30.00 1bw5 s ARG 61 CO 0.82 0.48 0.51 -1.54 -0.81 0.00 0.00 175.30 174.76 1bw5 s SER 62 N -0.37 6.97 -0.36 -2.12 1.04 -1.26 -5.02 113.70 112.58 1bw5 s SER 62 Ca 0.22 1.15 -0.29 0.00 0.48 0.00 0.00 55.95 57.51 1bw5 s SER 62 Cb -0.15 -2.32 0.01 0.00 0.10 0.00 0.00 66.02 63.66 1bw5 s SER 62 CO 0.10 0.28 1.25 -0.63 0.98 0.00 0.00 173.24 175.23 1bw5 s ILE 63 N -1.03 4.17 -0.71 -1.02 1.09 -1.26 -4.90 121.20 117.54 1bw5 s ILE 63 Ca 0.27 1.29 -0.26 0.00 -1.10 0.00 0.00 60.65 60.85 1bw5 s ILE 63 Cb -0.18 -4.30 -0.14 0.00 -1.06 0.00 0.00 42.46 36.77 1bw5 s ILE 63 CO 0.17 -0.63 2.47 1.15 -0.10 0.00 0.00 174.94 177.99 1bw5 n MET 64 N 7.48 0.61 -3.24 2.79 0.00 -1.26 -4.89 117.12 118.62 1bw5 n MET 64 Ca 0.14 -0.15 -0.40 0.00 0.00 0.00 0.00 57.70 57.29 1bw5 n MET 64 Cb 0.47 -2.80 -0.08 0.00 0.00 0.00 0.00 33.22 30.82 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1bw5 s MET 65 N 8.47 4.02 0.00 3.17 -1.94 -1.26 -5.36 119.30 126.39 1bw5 s MET 65 Ca 1.10 0.26 0.02 0.00 -1.71 0.00 0.00 55.69 55.35 1bw5 s MET 65 Cb -0.50 -3.67 0.10 0.00 2.01 0.00 0.00 34.83 32.77 1bw5 s MET 65 CO 0.31 -0.38 0.59 1.17 -0.01 0.00 0.00 175.02 176.70