#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 -1.40 0.03 4.01 -1.26 -4.68 118.16 114.86 1bw5 n LYS 2 Ca 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.66 1bw5 n LYS 2 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.46 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1bw5 n THR 3 N 0.00 0.00 -2.29 -0.18 -1.04 -1.26 -4.91 114.28 104.60 1bw5 n THR 3 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1bw5 n THR 3 Cb 0.00 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 66.86 1bw5 n THR 3 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1bw5 s THR 4 N -2.21 3.15 0.98 12.58 2.01 -1.26 -5.02 115.64 125.88 1bw5 s THR 4 Ca 0.00 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.94 1bw5 s THR 4 Cb 0.00 -3.70 0.21 0.00 0.01 0.00 0.00 72.50 69.01 1bw5 s THR 4 CO 0.00 0.24 1.30 -0.13 -0.69 0.00 0.00 174.62 175.34 1bw5 s ARG 5 N -1.24 0.50 -0.16 4.92 3.00 -1.26 -5.05 118.95 119.65 1bw5 s ARG 5 Ca 0.49 -0.37 -0.09 0.00 0.00 0.00 0.00 55.73 55.76 1bw5 s ARG 5 Cb -0.36 -1.83 -0.05 0.00 0.00 0.00 0.00 34.95 32.72 1bw5 s ARG 5 CO 0.45 -2.52 0.15 0.54 0.00 0.00 0.00 175.30 173.92 1bw5 s VAL 6 N -3.80 5.42 -0.21 3.52 0.11 -1.26 -5.08 120.40 119.10 1bw5 s VAL 6 Ca 0.73 0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 60.00 1bw5 s VAL 6 Cb -0.05 -3.47 -0.01 0.00 -1.53 0.00 0.00 36.38 31.33 1bw5 s VAL 6 CO 0.53 0.50 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.61 1bw5 s ARG 7 N -0.13 3.33 0.36 1.54 0.52 -1.26 -4.99 118.95 118.31 1bw5 s ARG 7 Ca 0.11 -0.65 -0.28 0.00 -0.52 0.00 0.00 55.73 54.40 1bw5 s ARG 7 Cb -0.12 -2.94 -0.12 0.00 0.52 0.00 0.00 34.95 32.30 1bw5 s ARG 7 CO 0.01 -0.18 1.31 0.25 0.02 0.00 0.00 175.30 176.71 1bw5 n THR 8 N 4.71 2.08 -2.36 0.02 -2.24 -1.26 -4.90 114.28 110.33 1bw5 n THR 8 Ca -0.19 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.12 1bw5 n THR 8 Cb 0.51 -1.62 0.06 0.00 -2.10 0.00 0.00 70.33 67.18 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 0.27 0.72 -2.65 2.28 0.24 -1.26 -5.09 118.33 112.84 1bw5 n VAL 9 Ca 0.04 -1.85 -0.38 0.00 -2.04 0.00 0.00 64.34 60.11 1bw5 n VAL 9 Cb 0.37 0.71 -0.05 0.00 -1.47 0.00 0.00 33.84 33.40 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 -1.34 4.38 0.70 1.34 1.02 -1.26 -5.05 118.68 118.47 1bw5 s LEU 10 Ca 0.35 1.99 0.00 0.00 0.02 0.00 0.00 54.13 56.49 1bw5 s LEU 10 Cb 0.38 -3.92 0.12 0.00 0.02 0.00 0.00 46.19 42.79 1bw5 s LEU 10 CO -0.12 -0.16 0.97 0.54 0.02 0.00 0.00 176.35 177.60 1bw5 s ASN 11 N -1.39 4.45 0.63 2.29 2.20 -1.26 -4.80 114.94 117.06 1bw5 s ASN 11 Ca 0.50 -0.42 0.23 0.00 -0.94 0.00 0.00 52.86 52.23 1bw5 s ASN 11 Cb -0.23 0.01 1.24 0.00 -2.00 0.00 0.00 41.25 40.27 1bw5 s ASN 11 CO 0.29 -1.79 1.69 1.05 -2.94 0.00 0.00 177.10 175.40 1bw5 h GLU 12 N -0.44 0.00 0.00 3.55 4.11 -1.99 -2.54 114.58 117.28 1bw5 h GLU 12 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1bw5 h GLU 12 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1bw5 h GLU 12 CO 0.40 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.11 1bw5 n LYS 13 N -2.73 0.00 -0.30 1.06 5.02 -1.26 -3.73 118.16 116.22 1bw5 n LYS 13 Ca -0.02 0.41 -0.05 0.00 -2.02 0.00 0.00 58.31 56.63 1bw5 n LYS 13 Cb 0.49 -1.08 0.07 0.00 -0.02 0.00 0.00 35.03 34.49 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 1.18 -0.60 1.97 4.20 -1.91 -2.79 115.11 117.16 1bw5 h GLN 14 Ca 0.00 -0.17 0.17 0.00 0.06 0.00 0.00 58.65 58.71 1bw5 h GLN 14 Cb 0.00 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 1bw5 h GLN 14 CO 0.00 0.91 0.43 1.25 -0.67 0.00 0.00 178.83 180.75 1bw5 h LEU 15 N 1.17 0.00 -0.60 1.46 6.46 -1.64 -1.69 115.31 120.46 1bw5 h LEU 15 Ca 0.28 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 58.17 1bw5 h LEU 15 Cb 0.11 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 39.93 1bw5 h LEU 15 CO -0.04 0.00 -0.03 -0.74 -0.62 0.00 0.00 178.44 177.01 1bw5 h HIS 16 N 0.00 -0.09 0.62 1.25 2.76 -1.58 -2.35 115.15 115.76 1bw5 h HIS 16 Ca 0.28 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 1bw5 h HIS 16 Cb 1.14 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 1bw5 h HIS 16 CO 0.00 -0.18 -0.46 1.15 -1.30 0.00 0.00 177.93 177.14 1bw5 h THR 17 N 0.09 0.08 -0.92 6.26 2.02 -1.49 -2.74 112.91 116.21 1bw5 h THR 17 Ca 0.31 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.74 1bw5 h THR 17 Cb 0.50 0.08 -0.14 0.00 -1.74 0.00 0.00 68.15 66.85 1bw5 h THR 17 CO -0.54 0.00 0.39 -0.07 0.37 0.00 0.00 175.52 175.67 1bw5 h LEU 18 N -1.04 0.27 -0.60 2.58 3.38 -1.53 -1.61 115.31 116.76 1bw5 h LEU 18 Ca -0.08 0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1bw5 h LEU 18 Cb 0.87 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1bw5 h LEU 18 CO 0.03 -0.09 -0.22 -0.09 0.09 0.00 0.00 178.44 178.16 1bw5 h ARG 19 N 0.32 -0.07 -0.21 1.13 2.43 -1.12 -0.06 114.38 116.80 1bw5 h ARG 19 Ca 0.60 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.71 1bw5 h ARG 19 Cb 1.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1bw5 h ARG 19 CO -0.59 -0.05 -0.17 1.79 -1.51 0.00 0.00 179.97 179.44 1bw5 h THR 20 N -0.07 1.22 0.59 0.20 1.35 -1.34 -2.95 112.91 111.91 1bw5 h THR 20 Ca 0.27 -1.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 1bw5 h THR 20 Cb 0.50 1.25 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1bw5 h THR 20 CO -0.65 0.32 -0.29 0.00 -0.25 0.00 0.00 175.52 174.65 1bw5 h TYR 22 N -0.82 0.41 0.00 0.00 5.03 -1.50 0.53 116.97 120.63 1bw5 h TYR 22 Ca -0.08 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.24 1bw5 h TYR 22 Cb 0.61 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 1bw5 h TYR 22 CO 0.09 0.11 -0.01 0.00 -1.32 0.00 0.00 178.16 177.03 1bw5 h ALA 23 N 1.61 1.10 0.00 1.82 0.00 -1.34 -3.23 119.26 119.22 1bw5 h ALA 23 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1bw5 h ALA 23 Cb 1.23 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bw5 h ALA 23 CO -0.13 0.01 -0.79 0.00 0.00 0.00 0.00 179.25 178.34 1bw5 n ALA 24 N -2.13 0.68 -3.16 0.00 0.00 0.18 -4.98 120.51 111.09 1bw5 n ALA 24 Ca -0.03 -0.63 0.03 0.00 0.00 0.00 0.00 53.44 52.81 1bw5 n ALA 24 Cb 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -5.85 -1.55 1.03 0.00 2.47 -0.87 -5.14 114.94 105.03 1bw5 s ASN 25 Ca -0.22 -0.15 -0.02 0.00 0.42 0.00 0.00 52.86 52.89 1bw5 s ASN 25 Cb 0.03 1.97 0.02 0.00 -1.45 0.00 0.00 41.25 41.82 1bw5 s ASN 25 CO 0.33 -0.24 0.07 -0.81 -3.72 0.00 0.00 177.10 172.73 1bw5 n PRO 26 N 5.04 -1.61 -1.72 0.43 -0.04 -1.25 -4.42 135.00 131.42 1bw5 n PRO 26 Ca 0.07 -0.12 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 1bw5 n PRO 26 Cb 0.55 -0.13 -0.02 0.00 -0.04 0.00 0.00 33.50 33.87 1bw5 n PRO 26 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1bw5 n ARG 27 N -1.97 -0.62 -0.77 0.54 1.85 -1.26 -5.02 116.66 109.40 1bw5 n ARG 27 Ca 0.01 0.59 -0.29 0.00 -1.00 0.00 0.00 57.85 57.16 1bw5 n ARG 27 Cb 0.04 -4.50 0.25 0.00 -1.05 0.00 0.00 32.46 27.20 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1bw5 s PRO 28 N -3.59 -1.35 0.00 2.89 0.04 -1.26 -5.06 135.00 126.67 1bw5 s PRO 28 Ca 0.00 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1bw5 s PRO 28 Cb 0.00 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1bw5 s PRO 28 CO 0.00 -3.88 0.00 -3.47 0.04 0.00 0.00 177.00 169.69 1bw5 n ASP 29 N -4.95 0.00 -0.07 6.66 2.03 -1.26 -4.98 116.55 113.99 1bw5 n ASP 29 Ca 0.09 0.00 0.24 0.00 0.52 0.00 0.00 54.79 55.64 1bw5 n ASP 29 Cb 0.58 0.00 0.53 0.00 -0.72 0.00 0.00 41.12 41.51 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 2.58 -3.00 -1.67 0.00 -1.98 -1.74 119.26 115.46 1bw5 h ALA 30 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bw5 h ALA 30 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bw5 h ALA 30 CO 0.00 -1.31 0.00 -0.11 0.00 0.00 0.00 179.25 177.83 1bw5 n LEU 31 N -3.34 0.64 0.28 0.00 7.94 -1.26 -3.51 117.00 117.74 1bw5 n LEU 31 Ca 0.16 0.35 0.11 0.00 -1.11 0.00 0.00 56.01 55.52 1bw5 n LEU 31 Cb 1.17 0.00 0.77 0.00 0.53 0.00 0.00 43.42 45.89 1bw5 n LEU 31 CO 0.23 0.00 1.09 0.24 -1.11 0.00 0.00 177.39 177.84 1bw5 h MET 32 N 0.00 0.00 -0.82 1.96 2.86 -1.93 -2.29 114.93 114.71 1bw5 h MET 32 Ca 0.00 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 1bw5 h MET 32 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1bw5 h MET 32 CO 0.00 0.01 0.56 1.57 1.06 0.00 0.00 176.91 180.11 1bw5 h LYS 33 N 0.00 0.27 0.22 1.72 2.10 -1.42 -1.33 116.57 118.13 1bw5 h LYS 33 Ca -0.00 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1bw5 h LYS 33 Cb 0.02 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1bw5 h LYS 33 CO 0.00 0.18 -0.17 1.49 -2.00 0.00 0.00 179.45 178.96 1bw5 h GLU 34 N 0.28 -0.38 0.29 0.07 4.81 -1.45 -1.38 114.58 116.82 1bw5 h GLU 34 Ca 0.41 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1bw5 h GLU 34 Cb 1.18 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1bw5 h GLU 34 CO -0.11 -0.25 -0.14 1.96 -0.73 0.00 0.00 179.01 179.74 1bw5 h GLN 35 N -0.39 -0.37 -0.92 1.92 7.50 -1.48 -3.08 115.11 118.29 1bw5 h GLN 35 Ca -0.01 0.03 0.27 0.00 0.50 0.00 0.00 58.65 59.43 1bw5 h GLN 35 Cb 0.35 0.08 -0.15 0.00 0.05 0.00 0.00 27.48 27.81 1bw5 h GLN 35 CO -0.01 -0.07 0.34 -0.07 -1.50 0.00 0.00 178.83 177.52 1bw5 h LEU 36 N -0.67 0.16 -0.07 1.46 -0.00 -1.23 0.11 115.31 115.08 1bw5 h LEU 36 Ca -0.04 0.20 0.04 0.00 -0.00 0.00 0.00 57.88 58.08 1bw5 h LEU 36 Cb 0.47 0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 41.30 1bw5 h LEU 36 CO 0.06 -0.16 -0.30 0.58 -0.00 0.00 0.00 178.44 178.63 1bw5 h VAL 37 N 0.24 0.33 -0.56 1.22 2.07 -1.16 -1.79 116.25 116.60 1bw5 h VAL 37 Ca 0.62 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.20 1bw5 h VAL 37 Cb 1.30 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1bw5 h VAL 37 CO -0.65 0.00 0.25 -0.08 0.02 0.00 0.00 177.57 177.11 1bw5 h GLU 38 N -0.41 0.46 -0.49 1.57 4.22 -0.83 1.02 114.58 120.12 1bw5 h GLU 38 Ca 0.08 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.54 1bw5 h GLU 38 Cb 0.53 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1bw5 h GLU 38 CO -0.30 0.30 0.33 1.98 -2.18 0.00 0.00 179.01 179.14 1bw5 h MET 39 N 0.47 0.45 0.00 1.92 4.05 -0.49 -3.09 114.93 118.24 1bw5 h MET 39 Ca 0.27 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 1bw5 h MET 39 Cb 0.24 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1bw5 h MET 39 CO -0.22 0.30 -1.29 -2.37 0.23 0.00 0.00 176.91 173.55 1bw5 n THR 40 N -4.48 0.00 0.00 -0.77 5.66 -0.83 -4.99 114.28 108.88 1bw5 n THR 40 Ca 0.06 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1bw5 n THR 40 Cb 0.22 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 1.74 2.94 3.69 1.09 0.00 0.35 -5.00 105.19 109.99 1bw5 n GLY 41 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 1.45 0.70 0.99 2.34 -1.25 -4.93 118.68 117.97 1bw5 s LEU 42 Ca 0.00 0.89 -0.11 0.00 0.06 0.00 0.00 54.13 54.97 1bw5 s LEU 42 Cb 0.00 -2.95 0.01 0.00 -0.56 0.00 0.00 46.19 42.69 1bw5 s LEU 42 CO 0.00 -3.32 1.08 -0.94 -1.06 0.00 0.00 176.35 172.11 1bw5 s SER 43 N -3.81 5.51 0.22 1.48 1.04 -1.26 -4.71 113.70 112.16 1bw5 s SER 43 Ca 0.67 1.22 0.24 0.00 0.48 0.00 0.00 55.95 58.57 1bw5 s SER 43 Cb -0.14 -2.07 0.91 0.00 0.10 0.00 0.00 66.02 64.82 1bw5 s SER 43 CO 0.56 -1.31 1.74 -0.81 0.98 0.00 0.00 173.24 174.39 1bw5 n PRO 44 N -3.00 0.20 -0.09 4.02 -0.04 -1.26 -3.60 135.00 131.24 1bw5 n PRO 44 Ca 0.07 0.31 -0.06 0.00 -0.04 0.00 0.00 63.50 63.78 1bw5 n PRO 44 Cb 0.56 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1bw5 n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw5 h ARG 45 N 0.00 0.04 -0.69 0.54 2.47 -2.01 -0.87 114.38 113.87 1bw5 h ARG 45 Ca 0.00 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1bw5 h ARG 45 Cb 0.51 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 1bw5 h ARG 45 CO 0.00 0.03 0.32 0.28 0.56 0.00 0.00 179.97 181.16 1bw5 h VAL 46 N 0.04 1.22 -0.03 2.04 2.07 -1.97 -2.98 116.25 116.65 1bw5 h VAL 46 Ca 0.15 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1bw5 h VAL 46 Cb 0.22 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1bw5 h VAL 46 CO -0.29 0.27 -0.00 0.40 0.02 0.00 0.00 177.57 177.97 1bw5 h ILE 47 N 0.98 1.27 -0.35 4.57 5.03 -1.53 -2.68 117.51 124.80 1bw5 h ILE 47 Ca 0.24 -0.80 0.03 0.00 -0.12 0.00 0.00 64.86 64.21 1bw5 h ILE 47 Cb 0.11 1.75 -0.05 0.00 -3.03 0.00 0.00 36.82 35.61 1bw5 h ILE 47 CO -0.03 0.21 -0.29 -0.09 -0.68 0.00 0.00 178.15 177.28 1bw5 h ARG 48 N -0.27 -0.10 0.00 2.37 2.43 -1.02 -1.30 114.38 116.48 1bw5 h ARG 48 Ca 0.01 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1bw5 h ARG 48 Cb 0.35 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1bw5 h ARG 48 CO 0.00 -0.07 -0.25 -0.24 -1.51 0.00 0.00 179.97 177.91 1bw5 h VAL 49 N -0.11 1.17 0.30 0.20 3.04 -1.65 -3.27 116.25 115.94 1bw5 h VAL 49 Ca 0.06 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 1bw5 h VAL 49 Cb 0.26 1.46 -0.03 0.00 -2.01 0.00 0.00 31.29 30.96 1bw5 h VAL 49 CO -0.38 0.24 -0.45 -0.25 -1.01 0.00 0.00 177.57 175.72 1bw5 h TRP 50 N 0.00 -1.25 -0.79 3.17 7.01 -0.87 -2.51 115.95 120.71 1bw5 h TRP 50 Ca -0.00 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.09 1bw5 h TRP 50 Cb 0.44 0.51 -0.06 0.00 -2.10 0.00 0.00 29.16 27.94 1bw5 h TRP 50 CO 0.00 -0.58 0.46 0.74 -2.79 0.00 0.00 178.44 176.27 1bw5 h PHE 51 N -0.80 0.84 0.00 2.65 0.04 -1.58 -2.29 116.94 115.80 1bw5 h PHE 51 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bw5 h PHE 51 Cb 0.75 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1bw5 h PHE 51 CO -0.31 0.38 0.00 0.94 -0.60 0.00 0.00 178.31 178.73 1bw5 n GLN 52 N -4.72 0.00 -0.31 1.51 0.00 -0.96 -2.29 117.38 110.60 1bw5 n GLN 52 Ca 0.12 0.18 0.13 0.00 -0.00 0.00 0.00 57.00 57.42 1bw5 n GLN 52 Cb 0.22 -0.87 0.31 0.00 0.00 0.00 0.00 30.24 29.89 1bw5 n GLN 52 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.06 174.11 1bw5 h ASN 53 N 0.00 0.48 -0.85 1.69 -1.07 -1.61 -1.80 115.58 112.41 1bw5 h ASN 53 Ca 0.00 0.13 0.19 0.00 0.07 0.00 0.00 56.30 56.70 1bw5 h ASN 53 Cb 0.00 0.07 -0.16 0.00 -2.07 0.00 0.00 38.32 36.16 1bw5 h ASN 53 CO 0.00 0.09 -0.10 0.50 0.07 0.00 0.00 177.43 177.99 1bw5 h LYS 54 N 0.51 0.03 -0.29 4.14 1.63 -1.28 -0.69 116.57 120.62 1bw5 h LYS 54 Ca 0.56 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.42 1bw5 h LYS 54 Cb 0.99 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.55 1bw5 h LYS 54 CO -0.47 0.02 -0.11 -0.09 -3.45 0.00 0.00 179.45 175.35 1bw5 h ARG 55 N 0.03 -0.05 0.81 1.90 2.43 -0.89 0.14 114.38 118.76 1bw5 h ARG 55 Ca 0.45 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.59 1bw5 h ARG 55 Cb 0.78 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1bw5 h ARG 55 CO -0.83 -0.03 -0.43 0.00 -1.51 0.00 0.00 179.97 177.18 1bw5 h LYS 57 N -1.14 0.29 -6.32 0.00 1.79 -1.39 -3.41 116.57 106.39 1bw5 h LYS 57 Ca -0.11 -0.02 -0.54 0.00 -2.18 0.00 0.00 60.65 57.81 1bw5 h LYS 57 Cb 0.89 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.48 1bw5 h LYS 57 CO 0.16 0.19 1.18 0.34 -1.08 0.00 0.00 179.45 180.24 1bw5 s ASP 58 N -6.86 6.53 -0.32 0.86 2.15 0.48 -4.90 116.67 114.61 1bw5 s ASP 58 Ca -0.07 2.51 -0.08 0.00 0.43 0.00 0.00 52.55 55.34 1bw5 s ASP 58 Cb 0.17 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 40.45 1bw5 s ASP 58 CO 0.70 -1.00 1.01 -0.75 -0.17 0.00 0.00 175.17 174.96 1bw5 s LYS 59 N 4.27 0.21 0.38 4.34 2.20 -1.26 -4.93 119.74 124.95 1bw5 s LYS 59 Ca 0.83 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1bw5 s LYS 59 Cb -0.39 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 1bw5 s LYS 59 CO 0.37 -0.33 0.00 1.63 -0.36 0.00 0.00 175.35 176.66 1bw5 n LYS 60 N 4.12 -5.24 0.00 4.03 5.02 -1.26 -5.04 118.16 119.80 1bw5 n LYS 60 Ca 0.07 3.78 0.00 0.00 -2.02 0.00 0.00 58.31 60.14 1bw5 n LYS 60 Cb 0.61 -4.18 0.00 0.00 -0.02 0.00 0.00 35.03 31.44 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1bw5 n ARG 61 N 0.61 0.00 -3.07 1.97 5.12 -1.26 -5.00 116.66 115.03 1bw5 n ARG 61 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1bw5 n ARG 61 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1bw5 n SER 62 N -1.39 3.54 -4.62 0.55 7.64 -1.26 -5.05 113.62 113.04 1bw5 n SER 62 Ca 0.00 -3.49 -0.38 0.00 1.01 0.00 0.00 58.87 56.01 1bw5 n SER 62 Cb 0.00 -0.59 -0.09 0.00 -1.01 0.00 0.00 64.21 62.52 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 -3.66 5.23 -0.84 0.44 1.09 -1.26 -4.93 121.20 117.26 1bw5 s ILE 63 Ca 0.45 0.48 0.19 0.00 -1.10 0.00 0.00 60.65 60.68 1bw5 s ILE 63 Cb 0.27 -3.65 -0.22 0.00 -1.06 0.00 0.00 42.46 37.80 1bw5 s ILE 63 CO -0.11 0.22 0.80 1.15 -0.10 0.00 0.00 174.94 176.89 1bw5 n MET 64 N 4.98 0.55 -1.94 2.79 0.00 -1.26 -4.91 117.12 117.33 1bw5 n MET 64 Ca -0.10 -0.02 -0.43 0.00 0.00 0.00 0.00 57.70 57.16 1bw5 n MET 64 Cb 0.51 -1.43 -0.03 0.00 0.00 0.00 0.00 33.22 32.28 1bw5 n MET 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1bw5 s MET 65 N -2.89 3.79 0.00 3.17 0.00 -1.26 -5.33 119.30 116.78 1bw5 s MET 65 Ca 0.06 1.95 0.00 0.00 0.00 0.00 0.00 55.69 57.70 1bw5 s MET 65 Cb 0.15 -4.11 0.00 0.00 0.00 0.00 0.00 34.83 30.87 1bw5 s MET 65 CO 0.81 -1.31 0.00 1.17 0.00 0.00 0.00 175.02 175.68