#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 -6.13 0.00 0.03 5.02 -1.26 -4.95 118.16 110.87 1bw5 n LYS 2 Ca 0.00 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1bw5 n LYS 2 Cb 0.00 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 29.55 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1bw5 n THR 3 N -4.60 0.00 -2.79 -0.18 -2.24 -1.26 -4.89 114.28 98.33 1bw5 n THR 3 Ca -0.03 0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 61.78 1bw5 n THR 3 Cb 0.57 -1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 67.36 1bw5 n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bw5 s THR 4 N -0.89 4.88 1.11 4.28 -4.23 -1.26 -5.04 115.64 114.49 1bw5 s THR 4 Ca 0.00 1.88 -0.17 0.00 -1.18 0.00 0.00 61.69 62.21 1bw5 s THR 4 Cb 0.00 -4.24 0.27 0.00 1.34 0.00 0.00 72.50 69.87 1bw5 s THR 4 CO 0.00 0.11 0.60 0.54 -0.54 0.00 0.00 174.62 175.33 1bw5 n ARG 5 N 4.43 -3.18 -2.79 3.99 5.12 -1.26 -4.89 116.66 118.08 1bw5 n ARG 5 Ca 0.05 -1.01 -0.42 0.00 -1.93 0.00 0.00 57.85 54.55 1bw5 n ARG 5 Cb 0.50 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1bw5 s VAL 6 N -1.91 4.83 0.00 1.55 0.11 -1.26 -4.85 120.40 118.87 1bw5 s VAL 6 Ca 0.46 1.83 0.00 0.00 -2.93 0.00 0.00 61.98 61.35 1bw5 s VAL 6 Cb -0.08 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1bw5 s VAL 6 CO 0.39 0.02 0.03 -2.11 -3.33 0.00 0.00 175.10 170.10 1bw5 n ARG 7 N 5.12 0.00 -2.34 1.54 -4.01 -1.26 -5.11 116.66 110.60 1bw5 n ARG 7 Ca 0.07 -0.03 -0.25 0.00 -1.04 0.00 0.00 57.85 56.59 1bw5 n ARG 7 Cb 0.49 -0.43 0.05 0.00 -3.04 0.00 0.00 32.46 29.54 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 0.00 2.66 0.00 8.89 -4.23 -1.26 -5.03 115.64 116.67 1bw5 s THR 8 Ca 0.00 -0.30 0.20 0.00 -1.18 0.00 0.00 61.69 60.41 1bw5 s THR 8 Cb 0.00 -3.10 0.33 0.00 1.34 0.00 0.00 72.50 71.07 1bw5 s THR 8 CO 0.00 -0.10 1.12 1.33 -0.54 0.00 0.00 174.62 176.43 1bw5 n VAL 9 N -2.72 0.00 -2.50 2.29 0.24 -1.26 -5.11 118.33 109.27 1bw5 n VAL 9 Ca 0.07 -0.76 -0.33 0.00 -2.04 0.00 0.00 64.34 61.28 1bw5 n VAL 9 Cb 0.60 0.87 -0.04 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.00 3.75 0.00 1.34 2.01 -1.26 -5.05 118.68 119.47 1bw5 s LEU 10 Ca 0.26 1.71 0.00 0.00 0.01 0.00 0.00 54.13 56.11 1bw5 s LEU 10 Cb 0.30 -4.53 0.00 0.00 0.01 0.00 0.00 46.19 41.96 1bw5 s LEU 10 CO -0.13 -0.64 0.00 -0.46 1.01 0.00 0.00 176.35 176.13 1bw5 n ASN 11 N -1.24 0.00 0.22 2.29 0.23 -1.26 -5.00 115.26 110.50 1bw5 n ASN 11 Ca 0.08 -0.70 0.12 0.00 -0.53 0.00 0.00 54.58 53.54 1bw5 n ASN 11 Cb 0.54 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.85 1bw5 n ASN 11 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 -0.00 -1.99 -2.70 114.58 106.06 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 180.64 1bw5 n LYS 13 N -2.40 0.00 0.23 1.06 5.02 -1.26 -4.09 118.16 116.72 1bw5 n LYS 13 Ca -0.02 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.39 1bw5 n LYS 13 Cb 0.22 -0.46 0.69 0.00 -0.02 0.00 0.00 35.03 35.46 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 0.00 -0.91 1.97 4.20 -1.98 -2.68 115.11 115.71 1bw5 h GLN 14 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1bw5 h GLN 14 Cb 0.00 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.68 1bw5 h GLN 14 CO 0.00 0.00 0.49 1.25 -0.67 0.00 0.00 178.83 179.90 1bw5 h LEU 15 N 0.00 0.59 -0.69 1.46 7.12 -1.67 -0.84 115.31 121.28 1bw5 h LEU 15 Ca 0.04 0.10 0.12 0.00 0.13 0.00 0.00 57.88 58.27 1bw5 h LEU 15 Cb 0.16 0.01 -0.09 0.00 -0.53 0.00 0.00 40.66 40.21 1bw5 h LEU 15 CO -0.00 0.21 0.24 -0.74 -0.13 0.00 0.00 178.44 178.02 1bw5 h HIS 16 N 0.65 0.40 0.63 1.25 2.76 -1.62 -2.72 115.15 116.49 1bw5 h HIS 16 Ca 0.51 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.69 1bw5 h HIS 16 Cb 0.78 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1bw5 h HIS 16 CO -0.07 0.04 -0.35 1.15 -1.30 0.00 0.00 177.93 177.40 1bw5 h THR 17 N 0.38 0.00 -1.04 6.26 2.02 -1.33 -2.86 112.91 116.34 1bw5 h THR 17 Ca 0.37 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.85 1bw5 h THR 17 Cb 0.54 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.82 1bw5 h THR 17 CO -0.39 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.06 1bw5 h LEU 18 N -0.91 0.52 -1.42 2.58 3.38 -1.51 0.10 115.31 118.05 1bw5 h LEU 18 Ca -0.09 0.15 0.26 0.00 0.09 0.00 0.00 57.88 58.30 1bw5 h LEU 18 Cb 0.72 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 1bw5 h LEU 18 CO 0.11 -0.03 0.67 -0.09 0.09 0.00 0.00 178.44 179.18 1bw5 h ARG 19 N 0.38 0.36 -0.13 1.13 2.43 -1.24 0.32 114.38 117.64 1bw5 h ARG 19 Ca 0.69 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.69 1bw5 h ARG 19 Cb 1.62 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 1bw5 h ARG 19 CO -0.49 0.24 -0.55 1.15 -1.51 0.00 0.00 179.97 178.81 1bw5 h THR 20 N 0.38 1.34 0.84 0.20 2.02 -0.85 -2.99 112.91 113.85 1bw5 h THR 20 Ca 0.57 -1.83 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 1bw5 h THR 20 Cb 1.49 1.84 0.01 0.00 -1.74 0.00 0.00 68.15 69.75 1bw5 h THR 20 CO -0.26 0.55 -0.40 0.00 0.37 0.00 0.00 175.52 175.78 1bw5 h TYR 22 N -1.29 0.90 0.00 0.00 5.03 -1.55 0.58 116.97 120.63 1bw5 h TYR 22 Ca -0.12 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.23 1bw5 h TYR 22 Cb 0.87 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.89 1bw5 h TYR 22 CO -0.00 0.18 0.13 0.00 -1.32 0.00 0.00 178.16 177.15 1bw5 h ALA 23 N 1.62 1.10 0.05 1.82 0.00 -1.45 -1.18 119.26 121.23 1bw5 h ALA 23 Ca 0.53 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 55.06 1bw5 h ALA 23 Cb 0.83 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1bw5 h ALA 23 CO -0.39 -0.10 -2.26 0.00 0.00 0.00 0.00 179.25 176.50 1bw5 n ALA 24 N -1.75 1.19 -3.67 0.00 0.00 0.20 -4.97 120.51 111.50 1bw5 n ALA 24 Ca -0.01 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.46 1bw5 n ALA 24 Cb 0.17 -0.34 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 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 -6.78 -0.68 0.00 0.00 3.84 -0.44 -5.01 114.94 105.86 1bw5 s ASN 25 Ca -0.30 1.14 0.00 0.00 0.21 0.00 0.00 52.86 53.91 1bw5 s ASN 25 Cb 0.08 1.03 0.00 0.00 -0.55 0.00 0.00 41.25 41.81 1bw5 s ASN 25 CO 0.67 -0.21 0.83 -0.81 -2.79 0.00 0.00 177.10 174.78 1bw5 n PRO 26 N 4.31 1.00 -3.22 0.43 -0.04 -1.25 -4.28 135.00 131.95 1bw5 n PRO 26 Ca -0.22 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.23 1bw5 n PRO 26 Cb 0.57 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.66 0.64 0.77 0.54 3.52 -1.26 -5.09 118.95 116.41 1bw5 s ARG 27 Ca 0.00 0.05 -0.09 0.00 -0.13 0.00 0.00 55.73 55.56 1bw5 s ARG 27 Cb 0.00 0.02 0.08 0.00 -1.56 0.00 0.00 34.95 33.49 1bw5 s ARG 27 CO 0.00 -1.11 1.11 -1.25 -0.81 0.00 0.00 175.30 173.23 1bw5 s PRO 28 N 2.29 1.97 0.00 5.12 0.04 -1.26 -5.10 135.00 138.06 1bw5 s PRO 28 Ca 0.13 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1bw5 s PRO 28 Cb -0.09 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1bw5 s PRO 28 CO -0.17 -1.48 0.00 -0.25 0.04 0.00 0.00 177.00 175.14 1bw5 n ASP 29 N -3.15 0.00 -0.29 6.66 8.00 -1.26 -5.01 116.55 121.51 1bw5 n ASP 29 Ca 0.09 -0.53 0.31 0.00 0.71 0.00 0.00 54.79 55.37 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 2.89 0.62 2.24 0.00 -1.99 -1.34 119.26 123.47 1bw5 h ALA 30 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1bw5 h ALA 30 Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1bw5 h ALA 30 CO 0.00 -1.22 -0.30 1.25 0.00 0.00 0.00 179.25 178.98 1bw5 h LEU 31 N 0.08 -0.71 -1.92 0.00 6.46 -2.02 -3.18 115.31 114.02 1bw5 h LEU 31 Ca 0.54 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.30 1bw5 h LEU 31 Cb 1.98 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 42.09 1bw5 h LEU 31 CO -0.06 -0.39 -0.12 0.24 -0.62 0.00 0.00 178.44 177.49 1bw5 h MET 32 N -1.08 0.00 -0.87 1.25 2.86 -1.85 -3.09 114.93 112.15 1bw5 h MET 32 Ca -0.09 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.78 1bw5 h MET 32 Cb 0.64 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.15 1bw5 h MET 32 CO 0.14 0.12 0.13 0.87 1.06 0.00 0.00 176.91 179.23 1bw5 h LYS 33 N 0.00 0.13 0.82 1.72 1.79 -1.23 0.44 116.57 120.24 1bw5 h LYS 33 Ca -0.00 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1bw5 h LYS 33 Cb 0.26 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1bw5 h LYS 33 CO 0.02 0.09 -0.39 0.93 -1.08 0.00 0.00 179.45 179.01 1bw5 h GLU 34 N 0.13 -1.06 -0.66 3.15 5.08 -1.67 -2.55 114.58 117.00 1bw5 h GLU 34 Ca 0.53 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.95 1bw5 h GLU 34 Cb 1.05 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1bw5 h GLU 34 CO -0.72 -0.70 0.36 1.96 -1.00 0.00 0.00 179.01 178.91 1bw5 h GLN 35 N -1.13 0.93 -0.60 2.33 7.50 -1.53 -2.76 115.11 119.84 1bw5 h GLN 35 Ca -0.11 -0.11 0.12 0.00 0.50 0.00 0.00 58.65 59.05 1bw5 h GLN 35 Cb 0.85 -0.18 -0.10 0.00 0.05 0.00 0.00 27.48 28.10 1bw5 h GLN 35 CO 0.19 0.70 -0.00 -0.07 -1.50 0.00 0.00 178.83 178.14 1bw5 h LEU 36 N 0.91 -0.27 -0.14 1.46 -0.00 -0.09 0.56 115.31 117.74 1bw5 h LEU 36 Ca 0.23 0.15 0.01 0.00 -0.00 0.00 0.00 57.88 58.27 1bw5 h LEU 36 Cb 0.04 0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1bw5 h LEU 36 CO -0.04 -0.11 0.07 0.58 -0.00 0.00 0.00 178.44 178.94 1bw5 h VAL 37 N 0.11 1.00 -0.18 1.22 2.07 -1.18 -2.54 116.25 116.75 1bw5 h VAL 37 Ca 0.31 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1bw5 h VAL 37 Cb 0.50 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1bw5 h VAL 37 CO -0.52 0.03 0.06 -0.08 0.02 0.00 0.00 177.57 177.08 1bw5 h GLU 38 N 0.14 0.24 0.18 1.57 4.22 -0.95 3.06 114.58 123.05 1bw5 h GLU 38 Ca 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1bw5 h GLU 38 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1bw5 h GLU 38 CO -0.04 0.21 -0.15 0.52 -2.18 0.00 0.00 179.01 177.37 1bw5 h MET 39 N 0.25 -0.34 -0.00 1.92 2.86 -0.51 -3.28 114.93 115.82 1bw5 h MET 39 Ca 0.06 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1bw5 h MET 39 Cb 0.07 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1bw5 h MET 39 CO -0.01 -0.22 -0.28 -2.37 1.06 0.00 0.00 176.91 175.09 1bw5 n THR 40 N -5.27 0.00 -0.81 2.22 5.66 -1.14 -4.97 114.28 109.97 1bw5 n THR 40 Ca -0.08 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1bw5 n THR 40 Cb 0.19 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 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 0.99 0.61 3.92 1.09 0.00 1.02 -4.99 105.19 107.83 1bw5 n GLY 41 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 0.76 0.99 2.34 -1.23 -4.94 118.68 119.26 1bw5 s LEU 42 Ca 0.00 0.46 -0.11 0.00 0.06 0.00 0.00 54.13 54.54 1bw5 s LEU 42 Cb 0.00 -2.79 0.05 0.00 -0.56 0.00 0.00 46.19 42.89 1bw5 s LEU 42 CO 0.00 -2.18 1.08 -0.44 -1.06 0.00 0.00 176.35 173.75 1bw5 s SER 43 N -4.70 4.75 0.00 1.48 0.01 -1.26 -4.62 113.70 109.35 1bw5 s SER 43 Ca 0.67 1.57 0.20 0.00 1.31 0.00 0.00 55.95 59.70 1bw5 s SER 43 Cb -0.08 -2.35 0.87 0.00 0.21 0.00 0.00 66.02 64.67 1bw5 s SER 43 CO 0.50 -1.84 1.63 -0.81 0.41 0.00 0.00 173.24 173.13 1bw5 n PRO 44 N -3.38 0.04 0.17 12.44 -0.04 -1.26 -3.54 135.00 139.43 1bw5 n PRO 44 Ca 0.08 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.55 1bw5 n PRO 44 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 1bw5 n PRO 44 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1bw5 h ARG 45 N 0.00 -0.58 -0.61 0.54 2.43 -2.01 -2.30 114.38 111.85 1bw5 h ARG 45 Ca 0.00 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1bw5 h ARG 45 Cb 0.32 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1bw5 h ARG 45 CO 0.00 -0.39 0.31 0.28 -1.51 0.00 0.00 179.97 178.66 1bw5 h VAL 46 N -0.61 0.92 0.17 0.20 2.07 -1.96 -2.99 116.25 114.05 1bw5 h VAL 46 Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1bw5 h VAL 46 Cb 0.58 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1bw5 h VAL 46 CO -0.10 0.10 -0.17 0.40 0.02 0.00 0.00 177.57 177.83 1bw5 h ILE 47 N 0.57 0.63 -0.06 4.57 2.04 -1.66 0.12 117.51 123.71 1bw5 h ILE 47 Ca 0.28 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.15 1bw5 h ILE 47 Cb 0.22 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1bw5 h ILE 47 CO -0.20 0.00 -0.17 -0.09 0.00 0.00 0.00 178.15 177.69 1bw5 h ARG 48 N -0.37 -0.16 -0.46 2.37 1.12 -1.27 -0.50 114.38 115.12 1bw5 h ARG 48 Ca 0.00 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.93 1bw5 h ARG 48 Cb 0.35 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.32 1bw5 h ARG 48 CO -0.05 -0.11 0.31 -0.24 -3.11 0.00 0.00 179.97 176.77 1bw5 h VAL 49 N -0.17 1.01 0.25 0.20 3.04 -1.59 -3.01 116.25 115.99 1bw5 h VAL 49 Ca 0.01 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1bw5 h VAL 49 Cb 0.20 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 29.98 1bw5 h VAL 49 CO -0.15 0.08 -0.36 -0.25 -1.01 0.00 0.00 177.57 175.89 1bw5 h TRP 50 N 0.46 -1.02 -0.73 3.17 7.01 0.84 -1.77 115.95 123.91 1bw5 h TRP 50 Ca 0.19 0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.34 1bw5 h TRP 50 Cb 0.18 0.41 -0.09 0.00 -2.10 0.00 0.00 29.16 27.56 1bw5 h TRP 50 CO -0.00 -0.45 0.27 0.74 -2.79 0.00 0.00 178.44 176.21 1bw5 h PHE 51 N -0.63 0.45 0.05 2.65 0.04 -1.23 -1.84 116.94 116.43 1bw5 h PHE 51 Ca -0.03 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1bw5 h PHE 51 Cb 0.58 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 1bw5 h PHE 51 CO -0.28 0.04 -0.28 0.37 -0.60 0.00 0.00 178.31 177.56 1bw5 h GLN 52 N 0.41 -0.37 -0.80 1.51 5.75 -1.33 -2.41 115.11 117.87 1bw5 h GLN 52 Ca 0.40 0.03 0.13 0.00 -0.15 0.00 0.00 58.65 59.06 1bw5 h GLN 52 Cb 0.61 0.08 -0.09 0.00 1.07 0.00 0.00 27.48 29.15 1bw5 h GLN 52 CO -0.41 -0.24 0.39 -0.97 -2.65 0.00 0.00 178.83 174.95 1bw5 h ASN 53 N -0.38 0.46 -0.93 -0.69 -0.73 -1.00 -2.45 115.58 109.86 1bw5 h ASN 53 Ca -0.00 0.09 0.16 0.00 1.87 0.00 0.00 56.30 58.41 1bw5 h ASN 53 Cb 0.39 0.02 -0.16 0.00 0.27 0.00 0.00 38.32 38.84 1bw5 h ASN 53 CO -0.16 0.21 -0.34 0.50 -0.37 0.00 0.00 177.43 177.27 1bw5 h LYS 54 N 0.58 -0.02 -0.11 6.67 3.11 -0.82 0.81 116.57 126.79 1bw5 h LYS 54 Ca 0.43 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.31 1bw5 h LYS 54 Cb 0.58 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.76 1bw5 h LYS 54 CO -0.35 -0.01 -0.23 0.00 -2.81 0.00 0.00 179.45 176.05 1bw5 h ARG 55 N -0.02 -0.29 -0.60 1.90 2.47 -1.32 0.33 114.38 116.84 1bw5 h ARG 55 Ca 0.36 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 59.17 1bw5 h ARG 55 Cb 0.62 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.95 1bw5 h ARG 55 CO -0.94 -0.19 0.29 0.00 0.56 0.00 0.00 179.97 179.68 1bw5 h LYS 57 N 0.54 0.89 -3.54 0.00 3.64 -0.68 -3.27 116.57 114.15 1bw5 h LYS 57 Ca 0.28 -0.35 -0.35 0.00 -1.27 0.00 0.00 60.65 58.96 1bw5 h LYS 57 Cb 0.24 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1bw5 h LYS 57 CO -0.22 0.99 2.45 -3.47 -2.27 0.00 0.00 179.45 176.94 1bw5 n ASP 58 N -4.24 4.38 -3.85 4.20 2.03 0.11 -4.88 116.55 114.30 1bw5 n ASP 58 Ca -0.00 -2.31 0.00 0.00 0.52 0.00 0.00 54.79 53.00 1bw5 n ASP 58 Cb 0.39 -1.04 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 1bw5 n ASP 58 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1bw5 n LYS 59 N 4.40 1.50 -2.26 -0.67 4.81 -1.24 -4.84 118.16 119.86 1bw5 n LYS 59 Ca 0.41 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.42 1bw5 n LYS 59 Cb 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.15 1bw5 n LYS 59 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1bw5 s LYS 60 N 0.00 4.23 0.16 1.64 2.20 -1.26 -4.79 119.74 121.93 1bw5 s LYS 60 Ca 0.00 1.88 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 1bw5 s LYS 60 Cb 0.00 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1bw5 s LYS 60 CO 0.00 -0.71 0.00 -2.13 -0.36 0.00 0.00 175.35 172.15 1bw5 n ARG 61 N 6.47 0.00 -0.12 4.03 0.63 -1.26 -4.89 116.66 121.52 1bw5 n ARG 61 Ca 0.15 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.14 1bw5 n ARG 61 Cb 0.44 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.57 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 -2.96 1.44 -4.71 6.15 7.64 -1.26 -4.80 113.62 115.13 1bw5 n SER 62 Ca 0.00 -1.89 -0.36 0.00 1.01 0.00 0.00 58.87 57.64 1bw5 n SER 62 Cb 0.00 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.69 5.36 -0.20 0.44 1.01 -1.26 -5.07 121.20 119.79 1bw5 s ILE 63 Ca 0.23 0.31 -0.10 0.00 0.00 0.00 0.00 60.65 61.10 1bw5 s ILE 63 Cb 0.12 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1bw5 s ILE 63 CO 0.17 0.39 0.12 -0.04 0.00 0.00 0.00 174.94 175.58 1bw5 s MET 64 N 0.64 4.13 0.79 2.79 -1.94 -1.26 -5.06 119.30 119.39 1bw5 s MET 64 Ca 0.11 -0.25 -0.11 0.00 -1.71 0.00 0.00 55.69 53.72 1bw5 s MET 64 Cb -0.12 -3.39 0.06 0.00 2.01 0.00 0.00 34.83 33.39 1bw5 s MET 64 CO 0.02 0.26 1.10 -1.64 -0.01 0.00 0.00 175.02 174.75 1bw5 s MET 65 N 0.45 2.16 0.00 2.03 -1.94 -1.26 -5.21 119.30 115.53 1bw5 s MET 65 Ca 0.07 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 1bw5 s MET 65 Cb -0.12 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 34.79 1bw5 s MET 65 CO -0.01 -1.56 0.00 1.17 -0.01 0.00 0.00 175.02 174.61