#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 3.73 -2.89 3.17 4.81 -1.26 -5.05 118.16 120.68 1bw5 n LYS 2 Ca 0.00 -4.76 -0.40 0.00 -0.87 0.00 0.00 58.31 52.28 1bw5 n LYS 2 Cb 0.00 -2.32 -0.05 0.00 0.02 0.00 0.00 35.03 32.68 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1bw5 s THR 3 N -3.88 4.71 -0.30 3.15 -4.23 -1.26 -4.97 115.64 108.86 1bw5 s THR 3 Ca 0.43 1.78 -0.28 0.00 -1.18 0.00 0.00 61.69 62.44 1bw5 s THR 3 Cb 0.21 -4.19 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 1bw5 s THR 3 CO -0.09 0.32 1.94 0.28 -0.54 0.00 0.00 174.62 176.53 1bw5 s THR 4 N 0.16 3.32 0.20 3.99 -1.32 -1.26 -4.78 115.64 115.95 1bw5 s THR 4 Ca 0.42 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 1bw5 s THR 4 Cb -0.21 -3.44 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1bw5 s THR 4 CO 0.25 -0.28 0.00 0.54 -2.21 0.00 0.00 174.62 172.92 1bw5 n ARG 5 N 8.55 -1.72 -1.01 7.08 1.74 -1.26 -4.74 116.66 125.30 1bw5 n ARG 5 Ca 0.25 1.13 -0.29 0.00 -0.77 0.00 0.00 57.85 58.17 1bw5 n ARG 5 Cb 0.46 -2.10 0.18 0.00 -1.02 0.00 0.00 32.46 29.98 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bw5 s VAL 6 N -1.70 2.28 -0.35 1.55 1.01 -1.26 -5.01 120.40 116.92 1bw5 s VAL 6 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1bw5 s VAL 6 Cb 0.00 -2.45 0.25 0.00 0.00 0.00 0.00 36.38 34.18 1bw5 s VAL 6 CO 0.00 -0.12 1.26 -2.11 0.00 0.00 0.00 175.10 174.13 1bw5 n ARG 7 N -4.24 0.39 -1.28 2.72 -4.01 -1.26 -5.16 116.66 103.82 1bw5 n ARG 7 Ca 0.06 -1.00 -0.29 0.00 -1.04 0.00 0.00 57.85 55.58 1bw5 n ARG 7 Cb 0.55 -0.23 0.20 0.00 -3.04 0.00 0.00 32.46 29.95 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1bw5 s THR 8 N 0.09 1.81 -0.37 8.89 -4.23 -1.26 -5.00 115.64 115.57 1bw5 s THR 8 Ca 0.16 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.79 1bw5 s THR 8 Cb 0.24 -2.59 0.45 0.00 1.34 0.00 0.00 72.50 71.93 1bw5 s THR 8 CO -0.11 0.00 1.04 1.33 -0.54 0.00 0.00 174.62 176.34 1bw5 n VAL 9 N -4.34 1.69 -3.07 2.29 0.24 -1.26 -5.06 118.33 108.81 1bw5 n VAL 9 Ca 0.10 -3.91 -0.40 0.00 -2.04 0.00 0.00 64.34 58.09 1bw5 n VAL 9 Cb 0.59 -0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 32.69 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 -3.37 4.25 0.00 1.34 1.98 -1.26 -5.01 118.68 116.62 1bw5 s LEU 10 Ca 0.37 1.06 0.00 0.00 -2.89 0.00 0.00 54.13 52.68 1bw5 s LEU 10 Cb 0.42 -3.01 0.00 0.00 0.66 0.00 0.00 46.19 44.26 1bw5 s LEU 10 CO -0.06 -0.17 0.00 -0.46 -1.89 0.00 0.00 176.35 173.76 1bw5 n ASN 11 N 4.24 0.00 0.26 3.68 0.23 -1.26 -4.95 115.26 117.46 1bw5 n ASN 11 Ca -0.01 -0.50 0.11 0.00 -0.53 0.00 0.00 54.58 53.65 1bw5 n ASN 11 Cb 0.51 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.66 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 4.81 -1.97 -2.25 114.58 111.33 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 1bw5 n LYS 13 N -2.84 0.00 -0.14 1.92 5.02 -1.26 -3.51 118.16 117.35 1bw5 n LYS 13 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 1bw5 n LYS 13 Cb 0.75 -0.61 0.07 0.00 -0.02 0.00 0.00 35.03 35.22 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 0.90 -0.44 1.97 4.20 -1.95 -3.21 115.11 116.59 1bw5 h GLN 14 Ca 0.00 -0.32 0.08 0.00 0.06 0.00 0.00 58.65 58.47 1bw5 h GLN 14 Cb 0.00 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.65 1bw5 h GLN 14 CO 0.00 0.97 0.02 1.25 -0.67 0.00 0.00 178.83 180.40 1bw5 h LEU 15 N 0.80 -0.13 -0.66 1.46 7.12 -1.62 -1.69 115.31 120.60 1bw5 h LEU 15 Ca 0.13 0.10 0.12 0.00 0.13 0.00 0.00 57.88 58.35 1bw5 h LEU 15 Cb 0.65 0.16 -0.09 0.00 -0.53 0.00 0.00 40.66 40.85 1bw5 h LEU 15 CO 0.05 -0.03 0.21 -0.74 -0.13 0.00 0.00 178.44 177.79 1bw5 h HIS 16 N 0.14 0.34 0.16 1.25 2.76 -1.59 -0.36 115.15 117.86 1bw5 h HIS 16 Ca 0.22 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1bw5 h HIS 16 Cb 0.31 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1bw5 h HIS 16 CO -0.26 0.02 -0.22 1.15 -1.30 0.00 0.00 177.93 177.31 1bw5 h THR 17 N 0.35 0.00 -0.79 6.26 2.02 -1.40 -2.56 112.91 116.79 1bw5 h THR 17 Ca 0.35 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.70 1bw5 h THR 17 Cb 0.51 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 1bw5 h THR 17 CO -0.39 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 175.96 1bw5 h LEU 18 N -0.40 0.37 -0.89 2.58 3.38 -1.36 -2.60 115.31 116.38 1bw5 h LEU 18 Ca -0.02 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.21 1bw5 h LEU 18 Cb 0.36 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.93 1bw5 h LEU 18 CO -0.06 0.18 0.34 -0.09 0.09 0.00 0.00 178.44 178.91 1bw5 h ARG 19 N 0.39 0.30 -0.09 1.13 2.43 -0.63 0.28 114.38 118.20 1bw5 h ARG 19 Ca 0.40 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.47 1bw5 h ARG 19 Cb 0.96 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1bw5 h ARG 19 CO -0.13 0.20 -0.29 1.15 -1.51 0.00 0.00 179.97 179.40 1bw5 h THR 20 N 0.31 1.24 0.81 0.20 2.02 -1.52 -2.99 112.91 112.98 1bw5 h THR 20 Ca 0.57 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1bw5 h THR 20 Cb 1.13 1.49 0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1bw5 h THR 20 CO -0.58 0.34 -0.39 0.00 0.37 0.00 0.00 175.52 175.26 1bw5 h TYR 22 N -1.24 -0.20 -0.68 0.00 5.03 -1.49 0.44 116.97 118.82 1bw5 h TYR 22 Ca -0.11 0.05 0.11 0.00 2.58 0.00 0.00 58.73 61.36 1bw5 h TYR 22 Cb 0.84 0.18 -0.04 0.00 1.55 0.00 0.00 36.73 39.26 1bw5 h TYR 22 CO -0.00 -0.22 0.46 0.00 -1.32 0.00 0.00 178.16 177.08 1bw5 h ALA 23 N 1.57 2.00 0.00 1.82 0.00 -1.51 -2.62 119.26 120.53 1bw5 h ALA 23 Ca 0.29 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.89 1bw5 h ALA 23 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1bw5 h ALA 23 CO -0.56 -0.16 -1.81 0.00 0.00 0.00 0.00 179.25 176.71 1bw5 n ALA 24 N -2.51 1.47 -3.15 0.00 0.00 0.19 -4.85 120.51 111.66 1bw5 n ALA 24 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 53.44 52.76 1bw5 n ALA 24 Cb 0.41 -0.75 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -6.04 -1.58 0.00 0.00 3.84 0.13 -5.00 114.94 106.29 1bw5 s ASN 25 Ca -0.06 0.23 0.00 0.00 0.21 0.00 0.00 52.86 53.24 1bw5 s ASN 25 Cb 0.08 2.03 0.00 0.00 -0.55 0.00 0.00 41.25 42.81 1bw5 s ASN 25 CO 0.82 -0.30 0.63 -0.81 -2.79 0.00 0.00 177.10 174.65 1bw5 n PRO 26 N 5.42 0.87 -2.95 0.43 -0.04 -1.12 -4.15 135.00 133.45 1bw5 n PRO 26 Ca 0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 1bw5 n PRO 26 Cb 0.54 -1.27 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.29 0.65 -2.02 0.54 0.63 -1.26 -5.07 116.66 110.43 1bw5 n ARG 27 Ca 0.00 -2.39 -0.28 0.00 -0.92 0.00 0.00 57.85 54.27 1bw5 n ARG 27 Cb 0.31 -1.41 0.08 0.00 0.45 0.00 0.00 32.46 31.89 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 0.09 2.12 0.00 -0.14 0.04 -1.26 -5.08 135.00 130.78 1bw5 s PRO 28 Ca 0.33 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1bw5 s PRO 28 Cb 0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1bw5 s PRO 28 CO -0.17 -1.41 0.00 -3.47 0.04 0.00 0.00 177.00 171.99 1bw5 n ASP 29 N -3.14 0.00 -0.33 6.66 2.03 -1.26 -4.97 116.55 115.54 1bw5 n ASP 29 Ca 0.08 0.00 0.35 0.00 0.52 0.00 0.00 54.79 55.74 1bw5 n ASP 29 Cb 0.60 0.00 0.65 0.00 -0.72 0.00 0.00 41.12 41.66 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bw5 h ALA 30 N 2.00 3.13 -3.00 -1.67 0.00 -1.98 0.97 119.26 118.71 1bw5 h ALA 30 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bw5 h ALA 30 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bw5 h ALA 30 CO 0.00 -1.73 0.00 1.28 0.00 0.00 0.00 179.25 178.80 1bw5 n LEU 31 N -3.68 0.09 0.29 0.00 7.99 -1.26 -3.50 117.00 116.94 1bw5 n LEU 31 Ca 0.27 0.39 0.15 0.00 -0.01 0.00 0.00 56.01 56.82 1bw5 n LEU 31 Cb 1.48 0.00 0.90 0.00 -0.11 0.00 0.00 43.42 45.69 1bw5 n LEU 31 CO 0.33 0.00 1.09 0.24 -1.51 0.00 0.00 177.39 177.54 1bw5 h MET 32 N 0.00 0.00 -0.88 3.23 2.86 -1.87 -3.10 114.93 115.16 1bw5 h MET 32 Ca 0.00 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.88 1bw5 h MET 32 Cb 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.52 1bw5 h MET 32 CO 0.00 0.03 0.23 -0.22 1.06 0.00 0.00 176.91 178.01 1bw5 h LYS 33 N 0.00 0.19 0.69 1.72 3.64 -0.85 0.35 116.57 122.32 1bw5 h LYS 33 Ca -0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1bw5 h LYS 33 Cb 0.10 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1bw5 h LYS 33 CO 0.00 0.13 -0.33 0.93 -2.27 0.00 0.00 179.45 177.91 1bw5 h GLU 34 N 0.20 -0.90 -0.80 1.90 5.08 -1.62 -1.85 114.58 116.59 1bw5 h GLU 34 Ca 0.56 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 59.01 1bw5 h GLU 34 Cb 1.13 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 1bw5 h GLU 34 CO -0.67 -0.60 0.51 1.96 -1.00 0.00 0.00 179.01 179.22 1bw5 h GLN 35 N -1.06 0.97 -0.68 2.33 4.20 -1.66 -2.08 115.11 117.13 1bw5 h GLN 35 Ca -0.10 -0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.70 1bw5 h GLN 35 Cb 0.72 -0.22 -0.11 0.00 0.30 0.00 0.00 27.48 28.16 1bw5 h GLN 35 CO 0.16 0.64 0.04 -0.07 -0.67 0.00 0.00 178.83 178.93 1bw5 h LEU 36 N 1.00 -0.24 0.22 1.46 -0.00 -0.26 -1.53 115.31 115.96 1bw5 h LEU 36 Ca 0.32 0.16 0.01 0.00 -0.00 0.00 0.00 57.88 58.37 1bw5 h LEU 36 Cb 0.00 0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 1bw5 h LEU 36 CO -0.11 -0.12 -0.26 0.58 -0.00 0.00 0.00 178.44 178.53 1bw5 h VAL 37 N 0.14 0.44 -0.34 1.22 2.07 -0.60 -2.27 116.25 116.91 1bw5 h VAL 37 Ca 0.37 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.96 1bw5 h VAL 37 Cb 0.62 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1bw5 h VAL 37 CO -0.57 0.00 0.23 -0.08 0.02 0.00 0.00 177.57 177.18 1bw5 h GLU 38 N -0.53 0.13 -0.06 1.57 4.81 -1.27 1.66 114.58 120.88 1bw5 h GLU 38 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bw5 h GLU 38 Cb 0.51 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1bw5 h GLU 38 CO -0.08 0.08 0.04 1.98 -0.73 0.00 0.00 179.01 180.30 1bw5 h MET 39 N 0.13 0.08 0.00 1.92 4.05 -0.70 -3.20 114.93 117.21 1bw5 h MET 39 Ca 0.15 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1bw5 h MET 39 Cb 0.45 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1bw5 h MET 39 CO -0.02 0.06 -1.07 -2.37 0.23 0.00 0.00 176.91 173.74 1bw5 n THR 40 N -5.05 0.00 -0.84 -0.77 5.66 -1.03 -4.95 114.28 107.31 1bw5 n THR 40 Ca -0.06 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1bw5 n THR 40 Cb 0.03 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 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 1.43 0.36 3.90 1.09 0.00 0.56 -4.97 105.19 107.56 1bw5 n GLY 41 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 3.20 0.94 0.99 1.02 -1.24 -4.97 118.68 118.62 1bw5 s LEU 42 Ca 0.00 0.96 -0.12 0.00 0.02 0.00 0.00 54.13 54.99 1bw5 s LEU 42 Cb 0.00 -3.83 0.16 0.00 0.02 0.00 0.00 46.19 42.54 1bw5 s LEU 42 CO 0.00 -1.04 1.10 -0.55 0.02 0.00 0.00 176.35 175.88 1bw5 s SER 43 N -4.27 3.13 0.48 2.29 0.15 -1.26 -4.79 113.70 109.43 1bw5 s SER 43 Ca 0.54 1.21 0.27 0.00 0.70 0.00 0.00 55.95 58.68 1bw5 s SER 43 Cb -0.11 -1.86 0.85 0.00 -1.71 0.00 0.00 66.02 63.19 1bw5 s SER 43 CO 0.48 -2.81 1.79 1.55 1.20 0.00 0.00 173.24 175.45 1bw5 h PRO 44 N -1.67 0.00 -0.44 5.44 0.13 -1.97 -3.30 132.00 130.18 1bw5 h PRO 44 Ca -0.52 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1bw5 h PRO 44 Cb 1.32 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 1bw5 h PRO 44 CO 0.58 0.05 -0.28 0.00 -0.23 0.00 0.00 178.00 178.12 1bw5 h ARG 45 N 0.00 -0.19 -0.63 0.86 2.47 -2.01 0.24 114.38 115.14 1bw5 h ARG 45 Ca -0.00 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1bw5 h ARG 45 Cb 0.77 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.11 1bw5 h ARG 45 CO 0.01 -0.12 0.08 0.28 0.56 0.00 0.00 179.97 180.77 1bw5 h VAL 46 N -0.19 1.26 0.55 2.04 2.07 -1.96 -3.02 116.25 117.00 1bw5 h VAL 46 Ca 0.20 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1bw5 h VAL 46 Cb 0.51 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1bw5 h VAL 46 CO -0.55 0.39 -0.45 0.40 0.02 0.00 0.00 177.57 177.38 1bw5 h ILE 47 N 0.97 0.00 0.21 4.57 1.08 -1.13 -0.54 117.51 122.66 1bw5 h ILE 47 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 1bw5 h ILE 47 Cb 0.45 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 1bw5 h ILE 47 CO 0.02 0.00 -0.46 -0.09 -0.69 0.00 0.00 178.15 176.93 1bw5 h ARG 48 N -0.97 -0.70 -0.46 2.37 2.43 -1.16 -2.18 114.38 113.71 1bw5 h ARG 48 Ca -0.07 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1bw5 h ARG 48 Cb 0.81 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1bw5 h ARG 48 CO 0.00 -0.47 0.32 -0.24 -1.51 0.00 0.00 179.97 178.08 1bw5 h VAL 49 N -0.73 0.85 0.04 0.20 3.04 -1.55 -3.15 116.25 114.95 1bw5 h VAL 49 Ca -0.02 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1bw5 h VAL 49 Cb 0.69 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1bw5 h VAL 49 CO -0.19 0.03 -0.06 -0.25 -1.01 0.00 0.00 177.57 176.09 1bw5 h TRP 50 N 0.16 -0.16 -1.00 3.17 7.01 -0.41 -2.60 115.95 122.13 1bw5 h TRP 50 Ca 0.22 0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.47 1bw5 h TRP 50 Cb 0.65 0.06 -0.13 0.00 -2.10 0.00 0.00 29.16 27.65 1bw5 h TRP 50 CO -0.00 -0.07 0.58 0.74 -2.79 0.00 0.00 178.44 176.90 1bw5 h PHE 51 N -0.10 0.99 0.00 2.65 0.04 -1.56 -0.04 116.94 118.92 1bw5 h PHE 51 Ca -0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1bw5 h PHE 51 Cb 0.09 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1bw5 h PHE 51 CO -0.16 0.05 0.00 0.94 -0.60 0.00 0.00 178.31 178.54 1bw5 n GLN 52 N -4.90 0.00 -0.18 1.51 -0.06 -1.00 -2.58 117.38 110.15 1bw5 n GLN 52 Ca 0.27 0.15 0.21 0.00 -2.00 0.00 0.00 57.00 55.63 1bw5 n GLN 52 Cb 0.75 -0.89 0.59 0.00 -4.06 0.00 0.00 30.24 26.63 1bw5 n GLN 52 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 1bw5 h ASN 53 N 0.00 0.25 -0.67 1.69 7.08 -1.41 -2.38 115.58 120.14 1bw5 h ASN 53 Ca 0.00 0.02 0.14 0.00 -3.08 0.00 0.00 56.30 53.38 1bw5 h ASN 53 Cb 0.00 -0.02 -0.12 0.00 -2.08 0.00 0.00 38.32 36.09 1bw5 h ASN 53 CO 0.00 0.11 -0.12 0.50 -2.08 0.00 0.00 177.43 175.84 1bw5 h LYS 54 N 0.25 0.03 -0.38 4.14 1.63 -0.80 -2.04 116.57 119.41 1bw5 h LYS 54 Ca 0.42 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.29 1bw5 h LYS 54 Cb 1.24 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.77 1bw5 h LYS 54 CO -0.10 0.02 -0.30 -0.09 -3.45 0.00 0.00 179.45 175.52 1bw5 h ARG 55 N 0.03 -0.23 0.01 1.90 2.43 -1.15 0.40 114.38 117.76 1bw5 h ARG 55 Ca 0.34 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1bw5 h ARG 55 Cb 0.53 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1bw5 h ARG 55 CO -0.66 -0.15 -0.13 0.00 -1.51 0.00 0.00 179.97 177.51 1bw5 h LYS 57 N -0.22 0.00 0.00 0.00 1.63 -1.04 -2.32 116.57 114.61 1bw5 h LYS 57 Ca 0.04 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1bw5 h LYS 57 Cb 0.27 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1bw5 h LYS 57 CO -0.12 0.16 -0.06 0.22 -3.45 0.00 0.00 179.45 176.20 1bw5 h ASP 58 N 0.00 0.00 -2.51 4.20 3.58 0.53 -3.38 116.42 118.84 1bw5 h ASP 58 Ca -0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 1bw5 h ASP 58 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1bw5 h ASP 58 CO 0.02 0.06 1.15 -0.54 -2.88 0.00 0.00 179.24 177.06 1bw5 s LYS 59 N -4.28 4.16 -1.43 0.28 -0.14 -0.88 -3.09 119.74 114.37 1bw5 s LYS 59 Ca -0.03 2.37 -0.00 0.00 -1.36 0.00 0.00 55.97 56.95 1bw5 s LYS 59 Cb 0.13 -4.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.23 1bw5 s LYS 59 CO 0.55 -0.89 0.36 1.63 -0.76 0.00 0.00 175.35 176.24 1bw5 n LYS 60 N 7.29 -2.93 0.02 1.68 4.76 -1.26 -4.91 118.16 122.81 1bw5 n LYS 60 Ca 0.18 0.35 -0.01 0.00 -2.87 0.00 0.00 58.31 55.97 1bw5 n LYS 60 Cb 0.42 -4.39 -0.00 0.00 -1.84 0.00 0.00 35.03 29.21 1bw5 n LYS 60 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1bw5 h ARG 61 N -1.82 -0.06 -6.91 1.97 9.65 -1.71 -3.45 114.38 112.04 1bw5 h ARG 61 Ca -0.63 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 57.76 1bw5 h ARG 61 Cb 1.38 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.98 1bw5 h ARG 61 CO 0.64 -0.04 0.42 0.45 2.80 0.00 0.00 179.97 184.24 1bw5 s SER 62 N -3.02 6.98 0.15 -3.80 0.15 -1.26 -4.95 113.70 107.94 1bw5 s SER 62 Ca -0.01 2.07 -0.34 0.00 0.70 0.00 0.00 55.95 58.36 1bw5 s SER 62 Cb 0.00 -2.60 -0.15 0.00 -1.71 0.00 0.00 66.02 61.57 1bw5 s SER 62 CO 0.03 -0.34 1.49 -0.38 1.20 0.00 0.00 173.24 175.24 1bw5 n ILE 63 N 0.36 0.09 -1.77 6.45 2.08 -1.26 -4.88 119.36 120.43 1bw5 n ILE 63 Ca 0.03 -0.02 -0.40 0.00 0.56 0.00 0.00 62.75 62.92 1bw5 n ILE 63 Cb 0.48 -1.32 0.02 0.00 -0.75 0.00 0.00 39.64 38.08 1bw5 n ILE 63 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1bw5 s MET 64 N 0.67 3.59 0.18 0.38 1.75 -1.26 -4.94 119.30 119.66 1bw5 s MET 64 Ca 0.79 2.43 -0.30 0.00 -1.25 0.00 0.00 55.69 57.36 1bw5 s MET 64 Cb -0.76 -2.60 -0.07 0.00 2.84 0.00 0.00 34.83 34.24 1bw5 s MET 64 CO 0.41 -0.90 0.98 1.41 -0.65 0.00 0.00 175.02 176.27 1bw5 s MET 65 N -2.53 4.74 0.00 4.11 1.75 -1.26 -5.26 119.30 120.86 1bw5 s MET 65 Ca 0.63 1.52 0.28 0.00 -1.25 0.00 0.00 55.69 56.86 1bw5 s MET 65 Cb -0.44 -3.32 1.05 0.00 2.84 0.00 0.00 34.83 34.97 1bw5 s MET 65 CO 0.56 0.31 1.75 1.17 -0.65 0.00 0.00 175.02 178.16