#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 -1.79 -2.81 2.12 3.00 -1.26 -0.94 118.16 116.48 1bw5 n LYS 2 Ca 0.00 0.72 -0.17 0.00 -0.00 0.00 0.00 58.31 58.86 1bw5 n LYS 2 Cb 0.00 -5.19 0.03 0.00 0.00 0.00 0.00 35.03 29.87 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1bw5 n THR 3 N -2.83 -1.51 -2.43 3.15 -1.04 -1.26 -4.43 114.28 103.92 1bw5 n THR 3 Ca -0.15 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.84 1bw5 n THR 3 Cb 0.55 -2.91 -0.01 0.00 -1.82 0.00 0.00 70.33 66.14 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1bw5 n THR 4 N -4.22-12.37 -1.67 12.58 -1.04 -0.11 -5.03 114.28 102.42 1bw5 n THR 4 Ca -0.10 2.85 0.00 0.00 -2.04 0.00 0.00 64.05 64.76 1bw5 n THR 4 Cb 0.60 -5.92 0.00 0.00 -1.82 0.00 0.00 70.33 63.19 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 1.85 0.49 -1.62 -2.82 1.74 -1.26 -4.97 116.66 110.07 1bw5 n ARG 5 Ca -0.12 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.51 1bw5 n ARG 5 Cb 0.19 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.61 1bw5 n ARG 5 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1bw5 n VAL 6 N -1.48 1.58 -3.50 1.55 3.14 -1.26 -4.96 118.33 113.40 1bw5 n VAL 6 Ca 0.00 -0.40 -0.34 0.00 -2.96 0.00 0.00 64.34 60.65 1bw5 n VAL 6 Cb 0.00 -1.15 -0.05 0.00 -1.06 0.00 0.00 33.84 31.58 1bw5 n VAL 6 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bw5 s ARG 7 N -1.16 3.80 -0.13 1.45 0.52 -1.26 -4.71 118.95 117.46 1bw5 s ARG 7 Ca 0.63 0.23 -0.04 0.00 -0.52 0.00 0.00 55.73 56.03 1bw5 s ARG 7 Cb -0.70 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 31.91 1bw5 s ARG 7 CO 0.57 0.47 0.08 2.41 0.02 0.00 0.00 175.30 178.85 1bw5 n THR 8 N 0.51 -7.54 -1.30 0.02 -1.04 -1.26 -4.94 114.28 98.72 1bw5 n THR 8 Ca -0.04 1.42 -0.29 0.00 -2.04 0.00 0.00 64.05 63.10 1bw5 n THR 8 Cb 0.52 -4.90 0.19 0.00 -1.82 0.00 0.00 70.33 64.32 1bw5 n THR 8 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bw5 s VAL 9 N -0.77 1.86 0.00 12.58 0.11 -1.26 -5.07 120.40 127.85 1bw5 s VAL 9 Ca -0.10 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1bw5 s VAL 9 Cb 0.01 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 1bw5 s VAL 9 CO 0.43 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 172.38 1bw5 n LEU 10 N -4.25 0.00 0.00 2.54 4.77 -1.26 -5.19 117.00 113.61 1bw5 n LEU 10 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1bw5 n LEU 10 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1bw5 n LEU 10 CO 0.52 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.12 1bw5 n ASN 11 N -0.98 0.00 0.00 -1.43 0.23 -1.26 -5.00 115.26 106.82 1bw5 n ASN 11 Ca 0.00 -0.72 0.00 0.00 -0.53 0.00 0.00 54.58 53.33 1bw5 n ASN 11 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1bw5 n ASN 11 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1bw5 n GLU 12 N 0.00 0.00 0.00 -3.83 0.28 -1.26 -3.23 120.64 112.60 1bw5 n GLU 12 Ca 0.00 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 1bw5 n GLU 12 Cb 0.00 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.32 1bw5 n GLU 12 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1bw5 n LYS 13 N -1.39 0.00 -0.00 3.44 5.02 -1.26 -3.44 118.16 120.52 1bw5 n LYS 13 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1bw5 n LYS 13 Cb 0.05 -0.80 0.24 0.00 -0.02 0.00 0.00 35.03 34.50 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 0.53 -0.38 1.97 7.50 -2.00 -3.22 115.11 119.51 1bw5 h GLN 14 Ca 0.00 -0.15 0.08 0.00 0.50 0.00 0.00 58.65 59.08 1bw5 h GLN 14 Cb 0.00 -0.06 -0.09 0.00 0.05 0.00 0.00 27.48 27.39 1bw5 h GLN 14 CO 0.00 0.64 -0.26 -0.07 -1.50 0.00 0.00 178.83 177.65 1bw5 h LEU 15 N 0.49 -0.86 -0.82 1.46 -0.00 -1.71 -1.32 115.31 112.55 1bw5 h LEU 15 Ca 0.09 0.17 0.15 0.00 -0.00 0.00 0.00 57.88 58.29 1bw5 h LEU 15 Cb 0.50 0.43 -0.10 0.00 -0.00 0.00 0.00 40.66 41.49 1bw5 h LEU 15 CO 0.03 -0.28 0.38 0.45 -0.00 0.00 0.00 178.44 179.02 1bw5 h HIS 16 N -0.20 0.65 0.06 1.13 3.86 -1.58 -1.85 115.15 117.23 1bw5 h HIS 16 Ca 0.18 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1bw5 h HIS 16 Cb 0.49 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 1bw5 h HIS 16 CO -0.48 0.11 -0.06 1.15 0.86 0.00 0.00 177.93 179.51 1bw5 h THR 17 N 0.53 0.00 -0.97 2.45 2.02 -1.37 -2.31 112.91 113.26 1bw5 h THR 17 Ca 0.45 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.91 1bw5 h THR 17 Cb 0.69 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1bw5 h THR 17 CO -0.40 0.00 0.71 -0.07 0.37 0.00 0.00 175.52 176.14 1bw5 h LEU 18 N -0.12 0.00 -2.00 2.58 3.38 -1.42 0.16 115.31 117.89 1bw5 h LEU 18 Ca -0.01 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.19 1bw5 h LEU 18 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1bw5 h LEU 18 CO -0.00 0.00 0.57 -0.09 0.09 0.00 0.00 178.44 179.01 1bw5 h ARG 19 N 0.00 0.00 -0.35 1.13 2.43 -0.74 -0.46 114.38 116.39 1bw5 h ARG 19 Ca 0.46 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.51 1bw5 h ARG 19 Cb 1.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 1bw5 h ARG 19 CO -0.00 0.00 -0.24 1.15 -1.51 0.00 0.00 179.97 179.37 1bw5 h THR 20 N 0.00 1.29 0.29 0.20 2.02 -0.68 -3.18 112.91 112.84 1bw5 h THR 20 Ca 0.37 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1bw5 h THR 20 Cb 1.51 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1bw5 h THR 20 CO -0.00 0.45 -0.15 0.00 0.37 0.00 0.00 175.52 176.19 1bw5 h TYR 22 N -0.40 -0.77 -0.12 0.00 5.03 -1.67 0.93 116.97 119.97 1bw5 h TYR 22 Ca -0.04 0.08 0.03 0.00 2.58 0.00 0.00 58.73 61.39 1bw5 h TYR 22 Cb 0.32 0.46 -0.00 0.00 1.55 0.00 0.00 36.73 39.05 1bw5 h TYR 22 CO 0.11 -0.38 0.32 0.00 -1.32 0.00 0.00 178.16 176.88 1bw5 h ALA 23 N 1.47 1.55 0.01 1.82 0.00 -1.57 -1.63 119.26 120.90 1bw5 h ALA 23 Ca 0.34 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.87 1bw5 h ALA 23 Cb 0.59 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1bw5 h ALA 23 CO -0.85 -0.38 -2.37 0.00 0.00 0.00 0.00 179.25 175.66 1bw5 n ALA 24 N -2.06 1.41 -3.15 0.00 0.00 0.29 -4.94 120.51 112.06 1bw5 n ALA 24 Ca 0.01 -1.11 0.04 0.00 0.00 0.00 0.00 53.44 52.38 1bw5 n ALA 24 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 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 -6.25 -1.28 0.00 0.00 -0.87 0.50 -5.02 114.94 102.03 1bw5 s ASN 25 Ca -0.25 0.63 0.00 0.00 -1.57 0.00 0.00 52.86 51.68 1bw5 s ASN 25 Cb 0.08 2.00 0.00 0.00 -0.02 0.00 0.00 41.25 43.31 1bw5 s ASN 25 CO 0.70 -0.24 0.50 -0.81 -2.57 0.00 0.00 177.10 174.68 1bw5 n PRO 26 N 5.42 0.72 -3.27 -0.60 -0.04 -1.19 -4.13 135.00 131.92 1bw5 n PRO 26 Ca -0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1bw5 n PRO 26 Cb 0.52 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 1bw5 n PRO 26 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1bw5 s ARG 27 N -0.47 0.67 0.92 0.54 0.52 -1.26 -5.06 118.95 114.81 1bw5 s ARG 27 Ca 0.00 -0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 54.77 1bw5 s ARG 27 Cb 0.00 -0.21 0.19 0.00 0.52 0.00 0.00 34.95 35.45 1bw5 s ARG 27 CO 0.00 -1.15 1.27 -1.25 0.02 0.00 0.00 175.30 174.18 1bw5 s PRO 28 N 1.93 0.76 0.09 3.54 0.04 -1.26 -5.10 135.00 135.00 1bw5 s PRO 28 Ca 0.15 -0.61 -0.04 0.00 0.04 0.00 0.00 61.00 60.54 1bw5 s PRO 28 Cb -0.10 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1bw5 s PRO 28 CO -0.11 -2.27 0.22 -0.40 0.04 0.00 0.00 177.00 174.47 1bw5 n ASP 29 N -3.60 -0.57 -0.57 6.66 5.68 -1.26 -4.97 116.55 117.91 1bw5 n ASP 29 Ca 0.16 -1.38 0.46 0.00 -0.50 0.00 0.00 54.79 53.53 1bw5 n ASP 29 Cb 0.60 0.94 0.74 0.00 -1.14 0.00 0.00 41.12 42.26 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 3.28 -3.00 2.12 0.00 -1.99 0.14 119.26 121.82 1bw5 h ALA 30 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bw5 h ALA 30 Cb 0.32 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1bw5 h ALA 30 CO 0.11 -1.92 0.00 -0.11 0.00 0.00 0.00 179.25 177.32 1bw5 n LEU 31 N -4.40 1.03 -0.02 0.00 -0.00 -1.26 -3.52 117.00 108.82 1bw5 n LEU 31 Ca 0.42 0.23 0.20 0.00 -0.00 0.00 0.00 56.01 56.86 1bw5 n LEU 31 Cb 1.76 0.00 0.67 0.00 -0.00 0.00 0.00 43.42 45.85 1bw5 n LEU 31 CO 0.30 0.00 1.19 0.24 -0.00 0.00 0.00 177.39 179.12 1bw5 h MET 32 N 0.00 0.05 -0.87 1.96 2.86 -1.91 -2.11 114.93 114.91 1bw5 h MET 32 Ca 0.00 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 1bw5 h MET 32 Cb 0.00 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.55 1bw5 h MET 32 CO 0.00 0.03 0.45 -0.22 1.06 0.00 0.00 176.91 178.23 1bw5 h LYS 33 N 0.05 0.59 0.22 1.72 3.11 -0.83 0.20 116.57 121.62 1bw5 h LYS 33 Ca 0.27 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.06 1bw5 h LYS 33 Cb 1.01 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 1bw5 h LYS 33 CO -0.02 0.39 -0.10 1.49 -2.81 0.00 0.00 179.45 178.40 1bw5 h GLU 34 N 0.60 -0.28 -0.80 1.90 4.81 -1.42 -3.15 114.58 116.24 1bw5 h GLU 34 Ca 0.49 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.75 1bw5 h GLU 34 Cb 0.73 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 1bw5 h GLU 34 CO -0.39 0.04 0.53 1.96 -0.73 0.00 0.00 179.01 180.42 1bw5 h GLN 35 N -0.62 1.03 -0.94 1.92 7.50 -1.49 -2.45 115.11 120.06 1bw5 h GLN 35 Ca -0.03 -0.06 0.26 0.00 0.50 0.00 0.00 58.65 59.32 1bw5 h GLN 35 Cb 0.45 -0.23 -0.14 0.00 0.05 0.00 0.00 27.48 27.60 1bw5 h GLN 35 CO 0.05 0.68 0.41 -0.07 -1.50 0.00 0.00 178.83 178.40 1bw5 h LEU 36 N 1.06 0.29 0.22 1.46 -0.00 -0.58 0.92 115.31 118.68 1bw5 h LEU 36 Ca 0.30 0.18 0.01 0.00 -0.00 0.00 0.00 57.88 58.37 1bw5 h LEU 36 Cb -0.08 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 1bw5 h LEU 36 CO -0.07 -0.11 -0.26 0.58 -0.00 0.00 0.00 178.44 178.58 1bw5 h VAL 37 N 0.31 0.44 -0.80 1.22 2.07 -1.50 -2.22 116.25 115.77 1bw5 h VAL 37 Ca 0.63 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.32 1bw5 h VAL 37 Cb 1.32 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1bw5 h VAL 37 CO -0.61 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.19 1bw5 h GLU 38 N -0.53 0.35 0.00 1.57 5.08 -0.93 1.75 114.58 121.87 1bw5 h GLU 38 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1bw5 h GLU 38 Cb 0.50 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1bw5 h GLU 38 CO -0.08 0.23 0.00 -1.33 -1.00 0.00 0.00 179.01 176.83 1bw5 n MET 39 N -4.47 0.00 -0.02 2.33 2.81 -0.84 -3.88 117.12 113.04 1bw5 n MET 39 Ca 0.16 0.50 0.13 0.00 -1.81 0.00 0.00 57.70 56.68 1bw5 n MET 39 Cb 0.62 -1.43 0.29 0.00 -0.71 0.00 0.00 33.22 32.00 1bw5 n MET 39 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1bw5 n THR 40 N -2.00 0.06 -0.80 2.03 5.66 -1.19 -4.92 114.28 113.13 1bw5 n THR 40 Ca 0.00 -0.41 -0.02 0.00 -3.05 0.00 0.00 64.05 60.56 1bw5 n THR 40 Cb 0.00 0.99 -0.01 0.00 -1.55 0.00 0.00 70.33 69.76 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 1.28 0.20 3.86 1.09 0.00 0.60 -4.92 105.19 107.30 1bw5 n GLY 41 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.58 3.84 0.92 0.99 1.02 -1.25 -4.99 118.68 118.63 1bw5 s LEU 42 Ca 0.00 1.30 -0.11 0.00 0.02 0.00 0.00 54.13 55.35 1bw5 s LEU 42 Cb 0.00 -4.18 0.15 0.00 0.02 0.00 0.00 46.19 42.17 1bw5 s LEU 42 CO 0.00 -0.40 1.11 -0.55 0.02 0.00 0.00 176.35 176.53 1bw5 s SER 43 N -2.88 3.04 0.52 2.29 0.15 -1.26 -4.72 113.70 110.83 1bw5 s SER 43 Ca 0.54 1.92 0.30 0.00 0.70 0.00 0.00 55.95 59.42 1bw5 s SER 43 Cb -0.10 -2.47 1.33 0.00 -1.71 0.00 0.00 66.02 63.07 1bw5 s SER 43 CO 0.27 -2.98 1.99 1.55 1.20 0.00 0.00 173.24 175.26 1bw5 h PRO 44 N -1.79 0.00 0.14 5.44 0.13 -1.97 -3.21 132.00 130.74 1bw5 h PRO 44 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1bw5 h PRO 44 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1bw5 h PRO 44 CO 0.47 0.11 -0.44 0.00 -0.23 0.00 0.00 178.00 177.90 1bw5 h ARG 45 N 0.00 -0.67 -0.70 0.86 3.08 -2.01 -0.47 114.38 114.47 1bw5 h ARG 45 Ca -0.00 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1bw5 h ARG 45 Cb 0.50 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1bw5 h ARG 45 CO 0.01 -0.44 0.42 0.28 -1.07 0.00 0.00 179.97 179.17 1bw5 h VAL 46 N -0.69 1.20 -0.42 2.04 2.07 -1.93 -2.78 116.25 115.73 1bw5 h VAL 46 Ca 0.01 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1bw5 h VAL 46 Cb 0.71 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1bw5 h VAL 46 CO -0.24 0.20 0.07 0.40 0.02 0.00 0.00 177.57 178.02 1bw5 h ILE 47 N 0.96 1.24 -0.03 4.57 5.03 -1.48 -2.61 117.51 125.19 1bw5 h ILE 47 Ca 0.25 -0.88 0.01 0.00 -0.12 0.00 0.00 64.86 64.12 1bw5 h ILE 47 Cb -0.04 1.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.73 1bw5 h ILE 47 CO -0.05 0.30 -0.19 -0.09 -0.68 0.00 0.00 178.15 177.44 1bw5 h ARG 48 N 0.55 -0.21 -0.50 2.37 2.43 -0.81 -2.44 114.38 115.76 1bw5 h ARG 48 Ca 0.13 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1bw5 h ARG 48 Cb 0.37 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1bw5 h ARG 48 CO 0.01 -0.14 0.32 -0.24 -1.51 0.00 0.00 179.97 178.41 1bw5 h VAL 49 N -0.22 1.13 0.17 0.20 3.04 -1.63 -3.10 116.25 115.85 1bw5 h VAL 49 Ca 0.01 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1bw5 h VAL 49 Cb 0.25 0.40 -0.03 0.00 -2.01 0.00 0.00 31.29 29.90 1bw5 h VAL 49 CO -0.15 0.13 -0.36 -0.25 -1.01 0.00 0.00 177.57 175.93 1bw5 h TRP 50 N 0.68 -1.04 -0.11 3.17 7.01 -1.03 0.45 115.95 125.07 1bw5 h TRP 50 Ca 0.18 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.25 1bw5 h TRP 50 Cb -0.07 0.43 -0.06 0.00 -2.10 0.00 0.00 29.16 27.36 1bw5 h TRP 50 CO 0.00 -0.43 -0.31 0.74 -2.79 0.00 0.00 178.44 175.64 1bw5 h PHE 51 N -0.59 -0.86 0.26 2.65 0.04 -1.49 0.28 116.94 117.24 1bw5 h PHE 51 Ca -0.02 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1bw5 h PHE 51 Cb 0.56 0.39 -0.04 0.00 2.20 0.00 0.00 35.95 39.06 1bw5 h PHE 51 CO -0.34 -0.39 -0.53 0.37 -0.60 0.00 0.00 178.31 176.82 1bw5 h GLN 52 N -0.40 -0.83 -0.68 1.51 4.15 -1.43 -2.14 115.11 115.30 1bw5 h GLN 52 Ca 0.09 0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.65 1bw5 h GLN 52 Cb 0.54 0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 1bw5 h GLN 52 CO -0.33 -0.55 0.45 -0.97 -1.93 0.00 0.00 178.83 175.49 1bw5 h ASN 53 N -0.86 0.53 -0.85 -0.69 -0.73 0.19 -2.99 115.58 110.19 1bw5 h ASN 53 Ca -0.03 0.01 0.16 0.00 1.87 0.00 0.00 56.30 58.32 1bw5 h ASN 53 Cb 0.81 -0.10 -0.16 0.00 0.27 0.00 0.00 38.32 39.14 1bw5 h ASN 53 CO -0.21 0.33 -0.24 0.50 -0.37 0.00 0.00 177.43 177.44 1bw5 h LYS 54 N 0.59 -0.01 -0.21 6.67 3.11 0.25 -1.33 116.57 125.63 1bw5 h LYS 54 Ca 0.31 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.20 1bw5 h LYS 54 Cb 0.42 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.58 1bw5 h LYS 54 CO -0.10 -0.01 -0.39 0.00 -2.81 0.00 0.00 179.45 176.14 1bw5 h ARG 55 N -0.01 -0.40 -0.62 1.90 3.08 -1.59 0.15 114.38 116.89 1bw5 h ARG 55 Ca 0.39 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.57 1bw5 h ARG 55 Cb 0.62 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 1bw5 h ARG 55 CO -0.88 -0.27 0.21 0.00 -1.07 0.00 0.00 179.97 177.97 1bw5 h LYS 57 N 0.38 0.41 0.00 0.00 3.64 -1.00 -2.40 116.57 117.60 1bw5 h LYS 57 Ca 0.32 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1bw5 h LYS 57 Cb 0.42 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1bw5 h LYS 57 CO -0.34 0.59 0.00 -0.44 -2.27 0.00 0.00 179.45 176.99 1bw5 h ASP 58 N 0.38 0.00 -5.93 4.20 5.19 0.94 -3.45 116.42 117.75 1bw5 h ASP 58 Ca 0.07 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.17 1bw5 h ASP 58 Cb 0.54 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.94 1bw5 h ASP 58 CO 0.04 0.00 -0.48 1.17 -3.12 0.00 0.00 179.24 176.85 1bw5 n LYS 59 N -2.51 -0.96 0.00 3.56 4.81 -0.91 -3.29 118.16 118.86 1bw5 n LYS 59 Ca -0.01 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1bw5 n LYS 59 Cb 0.08 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.28 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 -2.72 0.00 -0.52 1.64 5.02 -1.26 -4.90 118.16 115.42 1bw5 n LYS 60 Ca -0.14 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1bw5 n LYS 60 Cb 0.33 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.33 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1bw5 n ARG 61 N 0.00 -1.04 -3.08 1.97 0.63 -1.21 -4.92 116.66 109.02 1bw5 n ARG 61 Ca 0.00 0.68 -0.04 0.00 -0.92 0.00 0.00 57.85 57.58 1bw5 n ARG 61 Cb 0.00 -1.27 0.02 0.00 0.45 0.00 0.00 32.46 31.66 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1bw5 n SER 62 N -3.94 -7.39 -4.54 6.15 7.64 -1.26 -4.97 113.62 105.32 1bw5 n SER 62 Ca 0.00 -0.23 -0.40 0.00 1.01 0.00 0.00 58.87 59.25 1bw5 n SER 62 Cb 0.24 -5.20 -0.10 0.00 -1.01 0.00 0.00 64.21 58.14 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bw5 s ILE 63 N -3.10 5.26 0.85 0.44 1.09 -1.26 -5.07 121.20 119.41 1bw5 s ILE 63 Ca 0.12 -0.13 -0.12 0.00 -1.10 0.00 0.00 60.65 59.42 1bw5 s ILE 63 Cb -0.02 -3.73 0.10 0.00 -1.06 0.00 0.00 42.46 37.75 1bw5 s ILE 63 CO 0.73 -0.02 1.10 -0.32 -0.10 0.00 0.00 174.94 176.33 1bw5 s MET 64 N 1.80 1.62 -0.03 2.79 1.75 -1.26 -4.95 119.30 121.01 1bw5 s MET 64 Ca 0.07 0.64 -0.30 0.00 -1.25 0.00 0.00 55.69 54.86 1bw5 s MET 64 Cb -0.17 -1.87 -0.05 0.00 2.84 0.00 0.00 34.83 35.58 1bw5 s MET 64 CO 0.11 -1.94 1.46 -1.64 -0.65 0.00 0.00 175.02 172.36 1bw5 s MET 65 N -5.09 4.24 0.00 4.11 -1.94 -1.26 -5.30 119.30 114.06 1bw5 s MET 65 Ca 0.62 2.00 0.07 0.00 -1.71 0.00 0.00 55.69 56.67 1bw5 s MET 65 Cb -0.16 -3.71 0.06 0.00 2.01 0.00 0.00 34.83 33.03 1bw5 s MET 65 CO 0.55 -0.68 0.72 1.63 -0.01 0.00 0.00 175.02 177.24