#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 -4.42 2.12 4.81 -1.26 -4.93 118.16 114.48 1bw5 n LYS 2 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 1bw5 n LYS 2 Cb 0.00 -0.19 -0.07 0.00 0.02 0.00 0.00 35.03 34.79 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1bw5 n THR 3 N -1.89 -0.49 -3.00 3.15 -2.24 -1.26 -2.87 114.28 105.68 1bw5 n THR 3 Ca 0.00 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1bw5 n THR 3 Cb 0.00 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 67.33 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1bw5 n THR 4 N -4.22 -8.38 -2.27 4.28 -1.04 -1.26 -4.99 114.28 96.40 1bw5 n THR 4 Ca 0.03 0.97 -0.26 0.00 -2.04 0.00 0.00 64.05 62.75 1bw5 n THR 4 Cb 0.51 -5.69 0.10 0.00 -1.82 0.00 0.00 70.33 63.43 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1bw5 s ARG 5 N -1.98 1.76 -0.25 -2.82 0.52 -1.14 -5.06 118.95 109.99 1bw5 s ARG 5 Ca 0.15 -0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 54.73 1bw5 s ARG 5 Cb -0.03 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 1bw5 s ARG 5 CO 0.65 -1.50 0.12 0.54 0.02 0.00 0.00 175.30 175.13 1bw5 s VAL 6 N -3.32 4.88 -0.35 3.52 0.11 -1.26 -5.06 120.40 118.91 1bw5 s VAL 6 Ca 0.64 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.67 1bw5 s VAL 6 Cb -0.08 -3.28 0.07 0.00 -1.53 0.00 0.00 36.38 31.56 1bw5 s VAL 6 CO 0.46 0.33 0.11 -0.13 -3.33 0.00 0.00 175.10 172.54 1bw5 s ARG 7 N 1.36 2.35 0.91 1.54 0.52 -1.26 -5.10 118.95 119.27 1bw5 s ARG 7 Ca 0.06 -1.44 -0.14 0.00 -0.52 0.00 0.00 55.73 53.69 1bw5 s ARG 7 Cb -0.15 -3.42 0.15 0.00 0.52 0.00 0.00 34.95 32.06 1bw5 s ARG 7 CO 0.06 -0.80 1.25 0.95 0.02 0.00 0.00 175.30 176.77 1bw5 s THR 8 N 1.26 1.98 -0.39 0.02 -4.23 -1.26 -5.04 115.64 107.98 1bw5 s THR 8 Ca 0.01 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1bw5 s THR 8 Cb -0.21 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.02 1bw5 s THR 8 CO -0.01 0.00 0.90 1.33 -0.54 0.00 0.00 174.62 176.30 1bw5 n VAL 9 N -3.63 0.02 -2.50 2.29 0.24 -1.26 -5.07 118.33 108.41 1bw5 n VAL 9 Ca 0.12 -3.39 -0.42 0.00 -2.04 0.00 0.00 64.34 58.61 1bw5 n VAL 9 Cb 0.60 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 33.35 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 -2.51 3.34 0.49 1.34 2.01 -1.26 -5.00 118.68 117.10 1bw5 s LEU 10 Ca 0.33 -0.00 0.03 0.00 0.01 0.00 0.00 54.13 54.50 1bw5 s LEU 10 Cb 0.35 -2.93 0.02 0.00 0.01 0.00 0.00 46.19 43.64 1bw5 s LEU 10 CO -0.06 -1.68 0.69 0.54 1.01 0.00 0.00 176.35 176.84 1bw5 s ASN 11 N 3.78 5.49 0.52 2.29 4.22 -1.26 -4.79 114.94 125.19 1bw5 s ASN 11 Ca 0.44 -0.10 0.38 0.00 -2.14 0.00 0.00 52.86 51.44 1bw5 s ASN 11 Cb -0.09 -0.92 1.54 0.00 1.28 0.00 0.00 41.25 43.06 1bw5 s ASN 11 CO 0.22 -0.94 1.72 -0.33 -2.04 0.00 0.00 177.10 175.73 1bw5 h GLU 12 N 0.32 0.05 0.12 3.55 3.07 -1.98 0.23 114.58 119.94 1bw5 h GLU 12 Ca -0.42 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.43 1bw5 h GLU 12 Cb 1.28 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1bw5 h GLU 12 CO 0.51 0.03 -0.06 -0.22 -1.40 0.00 0.00 179.01 177.88 1bw5 h LYS 13 N 0.05 -0.15 -0.79 2.33 1.63 -1.99 -2.31 116.57 115.35 1bw5 h LYS 13 Ca 0.70 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.52 1bw5 h LYS 13 Cb 2.63 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 34.25 1bw5 h LYS 13 CO -0.09 -0.10 0.52 1.96 -3.45 0.00 0.00 179.45 178.29 1bw5 h GLN 14 N -0.22 1.02 0.21 1.90 4.20 -1.84 -2.87 115.11 117.51 1bw5 h GLN 14 Ca -0.02 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1bw5 h GLN 14 Cb 0.12 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1bw5 h GLN 14 CO 0.03 0.68 -0.32 1.25 -0.67 0.00 0.00 178.83 179.80 1bw5 h LEU 15 N 1.05 -0.88 -0.84 1.46 7.12 -1.04 -2.48 115.31 119.70 1bw5 h LEU 15 Ca 0.29 0.09 0.17 0.00 0.13 0.00 0.00 57.88 58.57 1bw5 h LEU 15 Cb -0.10 0.32 -0.11 0.00 -0.53 0.00 0.00 40.66 40.24 1bw5 h LEU 15 CO -0.07 -0.42 0.38 -0.74 -0.13 0.00 0.00 178.44 177.46 1bw5 h HIS 16 N -0.59 0.65 0.19 1.25 2.76 -1.19 -1.38 115.15 116.83 1bw5 h HIS 16 Ca 0.01 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1bw5 h HIS 16 Cb 0.58 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1bw5 h HIS 16 CO -0.24 0.06 -0.19 1.15 -1.30 0.00 0.00 177.93 177.41 1bw5 h THR 17 N 0.49 0.00 -0.97 6.26 2.02 -1.37 -2.55 112.91 116.78 1bw5 h THR 17 Ca 0.49 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.88 1bw5 h THR 17 Cb 0.80 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.10 1bw5 h THR 17 CO -0.44 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 175.94 1bw5 h LEU 18 N -0.38 0.66 -1.51 2.58 3.38 -1.32 -0.34 115.31 118.39 1bw5 h LEU 18 Ca -0.02 0.12 0.31 0.00 0.09 0.00 0.00 57.88 58.37 1bw5 h LEU 18 Cb 0.33 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1bw5 h LEU 18 CO -0.02 0.16 0.74 0.03 0.09 0.00 0.00 178.44 179.43 1bw5 h ARG 19 N 0.63 0.26 -0.51 1.13 2.47 -0.83 0.14 114.38 117.66 1bw5 h ARG 19 Ca 0.59 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 59.19 1bw5 h ARG 19 Cb 1.03 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 1bw5 h ARG 19 CO -0.44 0.17 -0.11 0.00 0.56 0.00 0.00 179.97 180.15 1bw5 h THR 20 N 0.26 1.27 0.61 2.04 1.03 -0.96 -2.88 112.91 114.28 1bw5 h THR 20 Ca 0.62 -1.24 -0.03 0.00 -0.01 0.00 0.00 66.41 65.75 1bw5 h THR 20 Cb 1.82 0.99 0.01 0.00 -1.07 0.00 0.00 68.15 69.90 1bw5 h THR 20 CO -0.25 0.44 -0.29 0.00 -0.01 0.00 0.00 175.52 175.40 1bw5 h TYR 22 N -0.99 0.69 -0.35 0.00 5.03 -1.46 1.28 116.97 121.17 1bw5 h TYR 22 Ca -0.08 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.31 1bw5 h TYR 22 Cb 0.67 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 1bw5 h TYR 22 CO -0.00 -0.04 0.09 0.00 -1.32 0.00 0.00 178.16 176.89 1bw5 h ALA 23 N 1.72 0.39 -0.01 1.82 0.00 -1.42 -2.26 119.26 119.50 1bw5 h ALA 23 Ca 0.57 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1bw5 h ALA 23 Cb 1.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1bw5 h ALA 23 CO -0.53 -0.31 -0.45 0.00 0.00 0.00 0.00 179.25 177.96 1bw5 n ALA 24 N -2.37 3.50 -3.14 0.00 0.00 -0.34 -4.73 120.51 113.42 1bw5 n ALA 24 Ca 0.01 -0.48 0.02 0.00 0.00 0.00 0.00 53.44 52.99 1bw5 n ALA 24 Cb 0.14 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.64 -1.37 0.00 0.00 3.04 0.43 -5.01 114.94 109.38 1bw5 s ASN 25 Ca 0.18 -0.35 0.00 0.00 0.04 0.00 0.00 52.86 52.73 1bw5 s ASN 25 Cb 0.18 1.79 0.00 0.00 -1.54 0.00 0.00 41.25 41.68 1bw5 s ASN 25 CO 0.61 -0.19 0.69 -0.81 -3.04 0.00 0.00 177.10 174.36 1bw5 n PRO 26 N 4.71 0.98 -3.68 0.43 -0.04 -0.90 -3.22 135.00 133.29 1bw5 n PRO 26 Ca 0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 1bw5 n PRO 26 Cb 0.57 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.59 0.67 0.66 0.54 3.52 -1.26 -5.04 118.95 117.45 1bw5 s ARG 27 Ca 0.00 0.53 -0.11 0.00 -0.13 0.00 0.00 55.73 56.02 1bw5 s ARG 27 Cb 0.00 0.32 0.16 0.00 -1.56 0.00 0.00 34.95 33.87 1bw5 s ARG 27 CO 0.00 -0.12 0.69 -0.35 -0.81 0.00 0.00 175.30 174.71 1bw5 n PRO 28 N 2.34 -1.67 0.00 5.12 -0.04 -1.26 -5.03 135.00 134.46 1bw5 n PRO 28 Ca -0.15 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1bw5 n PRO 28 Cb 0.56 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 1bw5 n PRO 28 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bw5 n ASP 29 N -3.86 0.00 0.00 3.54 -0.08 -1.26 -5.06 116.55 109.83 1bw5 n ASP 29 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1bw5 n ASP 29 Cb 0.34 0.39 0.00 0.00 2.34 0.00 0.00 41.12 44.19 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bw5 n ALA 30 N -2.21 0.00 -0.03 -1.67 0.00 -1.26 -4.97 120.51 110.37 1bw5 n ALA 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1bw5 n ALA 30 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1bw5 n ALA 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bw5 h LEU 31 N 0.00 0.16 -0.46 0.00 7.12 -2.01 -2.97 115.31 117.15 1bw5 h LEU 31 Ca 0.00 -0.38 -0.06 0.00 0.13 0.00 0.00 57.88 57.58 1bw5 h LEU 31 Cb 0.00 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 1bw5 h LEU 31 CO 0.00 0.50 0.07 0.24 -0.13 0.00 0.00 178.44 179.12 1bw5 h MET 32 N -0.18 0.77 -0.83 1.25 2.86 -1.98 -2.95 114.93 113.86 1bw5 h MET 32 Ca 0.02 -0.21 0.20 0.00 -2.06 0.00 0.00 59.70 57.65 1bw5 h MET 32 Cb 0.43 -0.09 -0.12 0.00 0.06 0.00 0.00 31.60 31.88 1bw5 h MET 32 CO 0.01 0.78 0.26 -0.22 1.06 0.00 0.00 176.91 178.80 1bw5 h LYS 33 N 0.63 0.29 0.76 1.72 3.64 -1.92 0.53 116.57 122.22 1bw5 h LYS 33 Ca 0.14 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1bw5 h LYS 33 Cb 0.39 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1bw5 h LYS 33 CO 0.01 0.19 -0.36 1.49 -2.27 0.00 0.00 179.45 178.51 1bw5 h GLU 34 N 0.30 -0.98 -0.61 1.90 4.57 -1.35 -3.02 114.58 115.39 1bw5 h GLU 34 Ca 0.50 0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.73 1bw5 h GLU 34 Cb 0.93 0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 1bw5 h GLU 34 CO -0.56 -0.64 0.30 1.96 -1.18 0.00 0.00 179.01 178.90 1bw5 h GLN 35 N -1.11 0.85 -1.05 1.92 1.08 -1.34 -2.36 115.11 113.09 1bw5 h GLN 35 Ca -0.10 -0.10 0.29 0.00 -1.45 0.00 0.00 58.65 57.28 1bw5 h GLN 35 Cb 0.80 -0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 28.00 1bw5 h GLN 35 CO 0.17 0.65 0.72 -0.07 -0.95 0.00 0.00 178.83 179.35 1bw5 h LEU 36 N 0.85 0.22 0.47 1.46 -0.00 0.17 -1.33 115.31 117.16 1bw5 h LEU 36 Ca 0.21 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1bw5 h LEU 36 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1bw5 h LEU 36 CO -0.03 0.05 -0.37 0.58 -0.00 0.00 0.00 178.44 178.67 1bw5 h VAL 37 N 0.20 0.25 -0.37 1.22 2.07 -1.36 -2.48 116.25 115.78 1bw5 h VAL 37 Ca 0.55 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.09 1bw5 h VAL 37 Cb 1.77 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1bw5 h VAL 37 CO -0.14 0.00 0.25 -0.08 0.02 0.00 0.00 177.57 177.61 1bw5 h GLU 38 N -0.83 0.40 0.72 1.57 4.81 -1.41 1.53 114.58 121.37 1bw5 h GLU 38 Ca -0.05 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1bw5 h GLU 38 Cb 0.71 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1bw5 h GLU 38 CO -0.00 0.27 -0.49 0.52 -0.73 0.00 0.00 179.01 178.57 1bw5 h MET 39 N 0.42 -1.10 -0.00 1.92 2.86 -1.11 -3.29 114.93 114.62 1bw5 h MET 39 Ca 0.15 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1bw5 h MET 39 Cb 0.08 0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1bw5 h MET 39 CO -0.03 -0.73 -0.83 -2.37 1.06 0.00 0.00 176.91 174.00 1bw5 n THR 40 N -5.51 0.00 -0.78 2.22 5.66 -1.14 -4.96 114.28 109.78 1bw5 n THR 40 Ca -0.14 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1bw5 n THR 40 Cb 0.48 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 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 1.42 0.59 3.88 1.09 0.00 0.52 -4.98 105.19 107.72 1bw5 n GLY 41 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 3.30 1.00 0.99 1.02 -1.25 -4.97 118.68 118.78 1bw5 s LEU 42 Ca 0.00 1.20 -0.12 0.00 0.02 0.00 0.00 54.13 55.23 1bw5 s LEU 42 Cb 0.00 -4.19 0.19 0.00 0.02 0.00 0.00 46.19 42.21 1bw5 s LEU 42 CO 0.00 -0.85 1.09 -0.94 0.02 0.00 0.00 176.35 175.66 1bw5 s SER 43 N -4.19 2.55 0.44 2.29 1.04 -1.26 -4.69 113.70 109.88 1bw5 s SER 43 Ca 0.53 1.28 0.24 0.00 0.48 0.00 0.00 55.95 58.48 1bw5 s SER 43 Cb -0.11 -1.96 0.83 0.00 0.10 0.00 0.00 66.02 64.88 1bw5 s SER 43 CO 0.51 -3.19 1.79 1.55 0.98 0.00 0.00 173.24 174.87 1bw5 h PRO 44 N -1.93 0.00 0.37 4.02 0.13 -1.97 -3.29 132.00 129.33 1bw5 h PRO 44 Ca -0.54 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1bw5 h PRO 44 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1bw5 h PRO 44 CO 0.56 0.21 -0.37 -0.09 -0.23 0.00 0.00 178.00 178.08 1bw5 h ARG 45 N 0.00 -0.71 -0.64 0.86 1.12 -2.00 0.28 114.38 113.29 1bw5 h ARG 45 Ca -0.00 0.05 0.06 0.00 -1.11 0.00 0.00 59.98 58.98 1bw5 h ARG 45 Cb 0.81 0.16 -0.04 0.00 -0.01 0.00 0.00 29.97 30.89 1bw5 h ARG 45 CO 0.03 -0.47 0.42 0.28 -3.11 0.00 0.00 179.97 177.12 1bw5 h VAL 46 N -0.74 1.01 0.06 0.20 2.07 -1.96 -2.87 116.25 114.02 1bw5 h VAL 46 Ca -0.05 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1bw5 h VAL 46 Cb 0.64 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1bw5 h VAL 46 CO -0.05 0.12 -0.03 0.40 0.02 0.00 0.00 177.57 178.03 1bw5 h ILE 47 N 0.64 1.25 -0.47 4.57 2.04 -1.55 -3.15 117.51 120.85 1bw5 h ILE 47 Ca 0.28 -1.36 0.09 0.00 1.00 0.00 0.00 64.86 64.87 1bw5 h ILE 47 Cb 0.27 2.11 -0.10 0.00 -0.74 0.00 0.00 36.82 38.36 1bw5 h ILE 47 CO -0.08 0.33 -0.24 -0.09 0.00 0.00 0.00 178.15 178.06 1bw5 h ARG 48 N -0.73 -0.14 0.00 2.37 2.43 -0.26 0.18 114.38 118.23 1bw5 h ARG 48 Ca -0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1bw5 h ARG 48 Cb 0.60 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1bw5 h ARG 48 CO 0.01 -0.09 -0.03 -0.24 -1.51 0.00 0.00 179.97 178.11 1bw5 h VAL 49 N -0.14 0.65 0.32 0.20 3.04 -1.61 -3.14 116.25 115.56 1bw5 h VAL 49 Ca 0.22 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1bw5 h VAL 49 Cb 0.48 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.81 1bw5 h VAL 49 CO -0.56 0.03 -0.49 -0.25 -1.01 0.00 0.00 177.57 175.30 1bw5 h TRP 50 N 0.00 -1.38 -0.99 3.17 7.01 -0.90 -2.22 115.95 120.64 1bw5 h TRP 50 Ca -0.00 0.02 0.22 0.00 2.11 0.00 0.00 58.89 61.24 1bw5 h TRP 50 Cb 0.08 0.56 -0.12 0.00 -2.10 0.00 0.00 29.16 27.59 1bw5 h TRP 50 CO 0.00 -0.62 0.58 0.74 -2.79 0.00 0.00 178.44 176.35 1bw5 h PHE 51 N -0.86 1.00 0.00 2.65 0.04 -1.63 -1.70 116.94 116.44 1bw5 h PHE 51 Ca -0.03 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bw5 h PHE 51 Cb 0.80 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1bw5 h PHE 51 CO -0.33 0.13 0.00 0.94 -0.60 0.00 0.00 178.31 178.46 1bw5 n GLN 52 N -4.85 0.00 -0.32 1.51 -0.06 -0.86 -3.88 117.38 108.93 1bw5 n GLN 52 Ca 0.25 0.14 0.05 0.00 -2.00 0.00 0.00 57.00 55.44 1bw5 n GLN 52 Cb 0.65 -1.13 0.20 0.00 -4.06 0.00 0.00 30.24 25.90 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 0.76 -1.67 1.69 7.08 -1.48 -2.88 115.58 119.08 1bw5 h ASN 53 Ca 0.00 0.05 0.49 0.00 -3.08 0.00 0.00 56.30 53.76 1bw5 h ASN 53 Cb 0.00 -0.09 -0.07 0.00 -2.08 0.00 0.00 38.32 36.08 1bw5 h ASN 53 CO 0.00 0.41 1.26 0.07 -2.08 0.00 0.00 177.43 177.08 1bw5 h LYS 54 N 0.85 0.00 -0.98 4.14 5.09 -1.42 -0.35 116.57 123.90 1bw5 h LYS 54 Ca 0.45 0.00 0.22 0.00 0.09 0.00 0.00 60.65 61.40 1bw5 h LYS 54 Cb 0.45 0.00 -0.12 0.00 0.10 0.00 0.00 32.23 32.66 1bw5 h LYS 54 CO -0.27 0.00 0.57 -0.09 -2.09 0.00 0.00 179.45 177.57 1bw5 h ARG 55 N 0.00 0.61 0.04 0.07 1.12 -1.65 -1.81 114.38 112.76 1bw5 h ARG 55 Ca 0.79 -0.04 0.02 0.00 -1.11 0.00 0.00 59.98 59.65 1bw5 h ARG 55 Cb 3.30 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 33.10 1bw5 h ARG 55 CO -0.01 0.40 -0.16 0.00 -3.11 0.00 0.00 179.97 177.10 1bw5 h LYS 57 N -0.28 0.12 -3.94 0.00 3.64 -1.53 -3.31 116.57 111.28 1bw5 h LYS 57 Ca 0.04 -0.02 -0.38 0.00 -1.27 0.00 0.00 60.65 59.02 1bw5 h LYS 57 Cb 0.32 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1bw5 h LYS 57 CO -0.12 0.21 2.08 -0.25 -2.27 0.00 0.00 179.45 179.09 1bw5 n ASP 58 N -4.38 2.96 -4.57 4.20 9.92 -0.87 -4.86 116.55 118.95 1bw5 n ASP 58 Ca -0.02 -2.35 -0.39 0.00 -0.53 0.00 0.00 54.79 51.50 1bw5 n ASP 58 Cb 0.19 -0.92 -0.03 0.00 -0.64 0.00 0.00 41.12 39.72 1bw5 n ASP 58 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1bw5 s LYS 59 N 4.44 2.72 -0.13 -1.24 2.20 -1.25 -4.24 119.74 122.23 1bw5 s LYS 59 Ca 0.38 1.07 -0.03 0.00 -0.36 0.00 0.00 55.97 57.02 1bw5 s LYS 59 Cb 0.09 -4.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.04 1bw5 s LYS 59 CO 0.04 -2.60 0.06 1.63 -0.36 0.00 0.00 175.35 174.12 1bw5 n LYS 60 N 8.93 -2.41 -0.00 4.03 5.02 -1.26 -4.99 118.16 127.48 1bw5 n LYS 60 Ca 0.25 2.07 -0.00 0.00 -2.02 0.00 0.00 58.31 58.60 1bw5 n LYS 60 Cb 0.51 -3.12 -0.00 0.00 -0.02 0.00 0.00 35.03 32.39 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 1.50 0.02 0.00 1.97 0.63 -1.26 -5.03 116.66 114.49 1bw5 n ARG 61 Ca -0.10 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1bw5 n ARG 61 Cb 0.29 -0.75 0.00 0.00 0.45 0.00 0.00 32.46 32.45 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 -2.37 -1.08 -4.55 6.15 7.64 -1.26 -4.00 113.62 114.15 1bw5 n SER 62 Ca -0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1bw5 n SER 62 Cb 0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bw5 n ILE 63 N 0.00 -0.07 -3.16 0.44 5.41 -1.26 -4.92 119.36 115.80 1bw5 n ILE 63 Ca 0.00 -0.74 -0.39 0.00 1.00 0.00 0.00 62.75 62.62 1bw5 n ILE 63 Cb 0.00 -2.62 -0.05 0.00 -0.71 0.00 0.00 39.64 36.25 1bw5 n ILE 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 1bw5 s MET 64 N 8.45 4.36 0.35 0.38 1.75 -1.26 -5.06 119.30 128.27 1bw5 s MET 64 Ca 0.97 0.79 -0.13 0.00 -1.25 0.00 0.00 55.69 56.07 1bw5 s MET 64 Cb -0.16 -3.36 -0.08 0.00 2.84 0.00 0.00 34.83 34.07 1bw5 s MET 64 CO 0.22 0.32 0.75 -1.64 -0.65 0.00 0.00 175.02 174.02 1bw5 s MET 65 N -0.07 3.92 0.00 4.11 -1.94 -1.26 -5.25 119.30 118.82 1bw5 s MET 65 Ca 0.33 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.90 1bw5 s MET 65 Cb -0.18 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 34.24 1bw5 s MET 65 CO 0.18 0.09 0.00 1.63 -0.01 0.00 0.00 175.02 176.91