#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 0.93 0.00 0.03 2.85 -1.26 -5.03 118.16 115.68 1bw5 n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1bw5 n LYS 2 Cb 0.00 -0.68 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1bw5 n THR 3 N -1.33 0.00 -2.86 0.58 -1.04 -1.26 -4.78 114.28 103.58 1bw5 n THR 3 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1bw5 n THR 3 Cb 0.18 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.70 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 0.00-10.04 -2.88 12.58 -1.04 -1.26 -4.94 114.28 106.70 1bw5 n THR 4 Ca 0.00 1.33 -0.38 0.00 -2.04 0.00 0.00 64.05 62.95 1bw5 n THR 4 Cb 0.00 -6.33 -0.06 0.00 -1.82 0.00 0.00 70.33 62.12 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 -1.86 4.60 -0.62 -2.82 0.52 -1.26 -4.97 118.95 112.53 1bw5 s ARG 5 Ca 0.09 1.25 -0.27 0.00 -0.52 0.00 0.00 55.73 56.28 1bw5 s ARG 5 Cb -0.02 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 1bw5 s ARG 5 CO 0.69 0.45 1.70 0.54 0.02 0.00 0.00 175.30 178.70 1bw5 s VAL 6 N -1.35 3.47 -0.55 3.52 0.11 -1.26 -4.94 120.40 119.41 1bw5 s VAL 6 Ca 0.42 0.29 -0.19 0.00 -2.93 0.00 0.00 61.98 59.57 1bw5 s VAL 6 Cb -0.22 -4.17 0.07 0.00 -1.53 0.00 0.00 36.38 30.54 1bw5 s VAL 6 CO 0.26 -1.11 0.69 -0.13 -3.33 0.00 0.00 175.10 171.48 1bw5 s ARG 7 N 6.60 3.10 0.45 1.54 1.81 -1.26 -5.03 118.95 126.16 1bw5 s ARG 7 Ca 0.60 -1.00 -0.22 0.00 -1.72 0.00 0.00 55.73 53.39 1bw5 s ARG 7 Cb -0.12 -4.16 -0.09 0.00 -0.45 0.00 0.00 34.95 30.13 1bw5 s ARG 7 CO 0.20 -1.38 1.03 0.99 -0.68 0.00 0.00 175.30 175.47 1bw5 s THR 8 N 2.79 3.85 -0.28 0.02 2.01 -1.26 -4.97 115.64 117.80 1bw5 s THR 8 Ca 0.15 1.24 0.10 0.00 0.31 0.00 0.00 61.69 63.49 1bw5 s THR 8 Cb -0.20 -3.55 0.47 0.00 0.01 0.00 0.00 72.50 69.23 1bw5 s THR 8 CO 0.10 -0.17 1.17 1.33 -0.69 0.00 0.00 174.62 176.37 1bw5 n VAL 9 N -0.62 2.27 -2.80 3.82 0.24 -1.26 -5.06 118.33 114.92 1bw5 n VAL 9 Ca 0.08 -3.94 -0.40 0.00 -2.04 0.00 0.00 64.34 58.03 1bw5 n VAL 9 Cb 0.52 -0.63 -0.05 0.00 -1.47 0.00 0.00 33.84 32.20 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 -3.63 4.58 0.00 1.34 1.98 -1.26 -5.04 118.68 116.64 1bw5 s LEU 10 Ca 0.46 1.81 0.00 0.00 -2.89 0.00 0.00 54.13 53.51 1bw5 s LEU 10 Cb 0.39 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 43.72 1bw5 s LEU 10 CO 0.02 0.09 0.00 -0.46 -1.89 0.00 0.00 176.35 174.11 1bw5 n ASN 11 N 2.01 0.00 0.30 3.68 0.23 -1.26 -5.01 115.26 115.22 1bw5 n ASN 11 Ca -0.01 -0.51 0.16 0.00 -0.53 0.00 0.00 54.58 53.69 1bw5 n ASN 11 Cb 0.48 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 39.00 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 4.22 -1.98 -2.73 114.58 110.26 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -2.18 0.00 0.00 179.01 178.46 1bw5 n LYS 13 N -3.02 0.00 -0.32 1.92 4.01 -1.26 -3.42 118.16 116.07 1bw5 n LYS 13 Ca -0.01 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.77 1bw5 n LYS 13 Cb 0.41 -0.40 0.13 0.00 -0.51 0.00 0.00 35.03 34.66 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1bw5 h GLN 14 N 0.00 1.21 -0.63 1.97 7.50 -1.97 -2.88 115.11 120.31 1bw5 h GLN 14 Ca 0.00 -0.10 0.13 0.00 0.50 0.00 0.00 58.65 59.18 1bw5 h GLN 14 Cb 0.00 -0.26 -0.11 0.00 0.05 0.00 0.00 27.48 27.16 1bw5 h GLN 14 CO 0.00 0.84 -0.06 1.25 -1.50 0.00 0.00 178.83 179.36 1bw5 h LEU 15 N 1.23 -0.41 -0.52 1.46 7.12 -1.68 -0.26 115.31 122.25 1bw5 h LEU 15 Ca 0.32 0.17 0.07 0.00 0.13 0.00 0.00 57.88 58.57 1bw5 h LEU 15 Cb -0.06 0.32 -0.06 0.00 -0.53 0.00 0.00 40.66 40.34 1bw5 h LEU 15 CO -0.06 -0.16 0.21 -0.74 -0.13 0.00 0.00 178.44 177.56 1bw5 h HIS 16 N 0.06 0.38 0.06 1.25 2.76 -1.53 -2.07 115.15 116.07 1bw5 h HIS 16 Ca 0.32 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1bw5 h HIS 16 Cb 0.51 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 1bw5 h HIS 16 CO -0.43 0.14 -0.06 1.15 -1.30 0.00 0.00 177.93 177.43 1bw5 h THR 17 N 0.41 0.00 -1.13 6.26 2.02 -1.09 -2.48 112.91 116.90 1bw5 h THR 17 Ca 0.25 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.76 1bw5 h THR 17 Cb 0.24 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.54 1bw5 h THR 17 CO -0.23 0.00 0.72 -0.07 0.37 0.00 0.00 175.52 176.31 1bw5 h LEU 18 N -0.12 0.38 -1.33 2.58 3.38 -1.48 0.37 115.31 119.10 1bw5 h LEU 18 Ca -0.01 0.11 0.40 0.00 0.09 0.00 0.00 57.88 58.48 1bw5 h LEU 18 Cb 0.10 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.79 1bw5 h LEU 18 CO -0.00 -0.03 0.78 -0.09 0.09 0.00 0.00 178.44 179.18 1bw5 h ARG 19 N 0.28 0.14 -0.41 1.13 9.65 -0.88 1.06 114.38 125.35 1bw5 h ARG 19 Ca 0.69 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 59.48 1bw5 h ARG 19 Cb 1.89 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 30.42 1bw5 h ARG 19 CO -0.38 0.09 -0.07 1.79 2.80 0.00 0.00 179.97 184.20 1bw5 h THR 20 N 0.14 1.24 0.51 0.20 1.35 -0.99 -1.96 112.91 113.41 1bw5 h THR 20 Ca 0.79 -1.07 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 1bw5 h THR 20 Cb 2.33 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 69.77 1bw5 h THR 20 CO -0.45 0.36 -0.25 0.00 -0.25 0.00 0.00 175.52 174.93 1bw5 h TYR 22 N -0.78 1.08 0.00 0.00 5.03 -1.53 0.31 116.97 121.07 1bw5 h TYR 22 Ca -0.07 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1bw5 h TYR 22 Cb 0.53 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.48 1bw5 h TYR 22 CO 0.08 0.25 0.10 0.00 -1.32 0.00 0.00 178.16 177.27 1bw5 h ALA 23 N 1.64 1.09 0.02 1.82 0.00 -1.30 -2.45 119.26 120.08 1bw5 h ALA 23 Ca 0.57 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 55.16 1bw5 h ALA 23 Cb 0.87 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1bw5 h ALA 23 CO -0.37 -0.09 -1.80 0.00 0.00 0.00 0.00 179.25 176.98 1bw5 n ALA 24 N -1.93 0.96 -3.64 0.00 0.00 0.11 -4.99 120.51 111.01 1bw5 n ALA 24 Ca -0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 1bw5 n ALA 24 Cb 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 1bw5 n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw5 s ASN 25 N -7.03 -0.87 -0.02 0.00 4.22 -0.92 -5.02 114.94 105.29 1bw5 s ASN 25 Ca -0.31 1.47 0.00 0.00 -2.14 0.00 0.00 52.86 51.89 1bw5 s ASN 25 Cb 0.09 1.41 0.03 0.00 1.28 0.00 0.00 41.25 44.05 1bw5 s ASN 25 CO 0.59 -0.24 0.91 -0.81 -2.04 0.00 0.00 177.10 175.52 1bw5 n PRO 26 N 3.72 1.09 -3.27 3.55 -0.04 -1.25 -4.29 135.00 134.50 1bw5 n PRO 26 Ca -0.18 -0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.08 1bw5 n PRO 26 Cb 0.58 -1.18 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.39 0.52 0.78 0.54 3.52 -1.26 -5.09 118.95 117.57 1bw5 s ARG 27 Ca 0.03 0.01 -0.07 0.00 -0.13 0.00 0.00 55.73 55.57 1bw5 s ARG 27 Cb 0.02 -0.22 0.12 0.00 -1.56 0.00 0.00 34.95 33.31 1bw5 s ARG 27 CO 0.01 -1.08 1.09 -1.25 -0.81 0.00 0.00 175.30 173.26 1bw5 s PRO 28 N 2.36 1.58 0.00 5.12 0.04 -1.26 -5.11 135.00 137.72 1bw5 s PRO 28 Ca 0.11 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.56 1bw5 s PRO 28 Cb -0.11 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1bw5 s PRO 28 CO -0.23 -1.63 0.00 -0.25 0.04 0.00 0.00 177.00 174.92 1bw5 n ASP 29 N -3.12 0.00 -0.16 6.66 8.00 -1.26 -5.00 116.55 121.67 1bw5 n ASP 29 Ca 0.12 -0.60 0.29 0.00 0.71 0.00 0.00 54.79 55.31 1bw5 n ASP 29 Cb 0.60 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.42 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 1.68 2.78 -3.00 2.24 0.00 -1.99 -0.03 119.26 120.94 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 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bw5 h ALA 30 CO 0.00 -1.16 0.00 -0.11 0.00 0.00 0.00 179.25 177.98 1bw5 n LEU 31 N -4.04 0.61 0.28 0.00 7.94 -1.26 -3.43 117.00 117.09 1bw5 n LEU 31 Ca 0.18 0.35 0.15 0.00 -1.11 0.00 0.00 56.01 55.58 1bw5 n LEU 31 Cb 1.01 0.00 0.88 0.00 0.53 0.00 0.00 43.42 45.84 1bw5 n LEU 31 CO 0.36 0.00 1.13 -0.03 -1.11 0.00 0.00 177.39 177.74 1bw5 h MET 32 N 0.00 0.00 -0.52 1.96 4.05 -1.94 -2.82 114.93 115.66 1bw5 h MET 32 Ca 0.00 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 1bw5 h MET 32 Cb 0.00 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.70 1bw5 h MET 32 CO 0.00 0.00 -0.19 0.87 0.23 0.00 0.00 176.91 177.82 1bw5 h LYS 33 N 0.00 -0.07 -0.21 0.39 1.57 -1.07 0.90 116.57 118.08 1bw5 h LYS 33 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1bw5 h LYS 33 Cb 0.10 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1bw5 h LYS 33 CO -0.00 -0.05 0.00 1.49 -0.57 0.00 0.00 179.45 180.33 1bw5 h GLU 34 N -0.07 0.37 -0.58 3.15 4.81 -1.52 -3.07 114.58 117.66 1bw5 h GLU 34 Ca 0.25 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1bw5 h GLU 34 Cb 0.45 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1bw5 h GLU 34 CO -0.57 0.55 0.09 1.96 -0.73 0.00 0.00 179.01 180.32 1bw5 h GLN 35 N 0.13 0.93 -1.02 1.92 4.20 -1.40 -2.93 115.11 116.94 1bw5 h GLN 35 Ca 0.06 -0.22 0.27 0.00 0.06 0.00 0.00 58.65 58.82 1bw5 h GLN 35 Cb 0.39 -0.12 -0.12 0.00 0.30 0.00 0.00 27.48 27.92 1bw5 h GLN 35 CO 0.01 0.86 0.62 -0.07 -0.67 0.00 0.00 178.83 179.58 1bw5 h LEU 36 N 0.88 0.59 -0.28 1.46 -0.00 0.89 -0.02 115.31 118.82 1bw5 h LEU 36 Ca 0.18 0.14 0.01 0.00 -0.00 0.00 0.00 57.88 58.21 1bw5 h LEU 36 Cb 0.38 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 1bw5 h LEU 36 CO 0.01 0.05 0.16 0.58 -0.00 0.00 0.00 178.44 179.24 1bw5 h VAL 37 N 0.48 1.03 -0.70 1.22 2.07 -1.55 -2.69 116.25 116.11 1bw5 h VAL 37 Ca 0.66 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 68.15 1bw5 h VAL 37 Cb 1.41 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1bw5 h VAL 37 CO -0.46 0.06 0.46 -0.33 0.02 0.00 0.00 177.57 177.32 1bw5 h GLU 38 N 0.33 0.61 0.75 1.57 5.08 -1.13 1.82 114.58 123.62 1bw5 h GLU 38 Ca 0.11 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1bw5 h GLU 38 Cb 0.00 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.12 1bw5 h GLU 38 CO -0.06 0.40 -0.36 0.52 -1.00 0.00 0.00 179.01 178.52 1bw5 h MET 39 N 0.63 -0.98 0.00 2.33 2.86 -1.37 -3.31 114.93 115.10 1bw5 h MET 39 Ca 0.32 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1bw5 h MET 39 Cb 0.41 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1bw5 h MET 39 CO -0.11 -0.65 -1.06 -2.37 1.06 0.00 0.00 176.91 173.78 1bw5 n THR 40 N -5.53 0.00 -0.96 2.22 5.66 -1.16 -4.97 114.28 109.54 1bw5 n THR 40 Ca -0.14 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1bw5 n THR 40 Cb 0.41 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 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 0.86 3.85 1.09 0.00 0.62 -5.01 105.19 108.02 1bw5 n GLY 41 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 3.62 1.27 0.99 1.02 -1.24 -4.96 118.68 119.39 1bw5 s LEU 42 Ca 0.00 1.51 -0.20 0.00 0.02 0.00 0.00 54.13 55.45 1bw5 s LEU 42 Cb 0.00 -4.45 0.31 0.00 0.02 0.00 0.00 46.19 42.07 1bw5 s LEU 42 CO 0.00 -0.58 1.07 -0.44 0.02 0.00 0.00 176.35 176.42 1bw5 s SER 43 N -3.15 0.35 0.33 2.29 0.01 -1.26 -4.58 113.70 107.69 1bw5 s SER 43 Ca 0.58 0.65 0.14 0.00 1.31 0.00 0.00 55.95 58.63 1bw5 s SER 43 Cb -0.10 -0.89 0.56 0.00 0.21 0.00 0.00 66.02 65.80 1bw5 s SER 43 CO 0.33 -4.47 1.71 1.55 0.41 0.00 0.00 173.24 172.76 1bw5 h PRO 44 N -2.82 0.00 -0.04 12.44 0.13 -1.97 -3.25 132.00 136.49 1bw5 h PRO 44 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1bw5 h PRO 44 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1bw5 h PRO 44 CO 0.31 0.48 -0.12 0.00 -0.23 0.00 0.00 178.00 178.44 1bw5 h ARG 45 N 0.00 -0.11 -0.49 0.86 3.08 -2.00 0.12 114.38 115.83 1bw5 h ARG 45 Ca -0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1bw5 h ARG 45 Cb 0.93 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1bw5 h ARG 45 CO 0.06 -0.08 0.33 0.28 -1.07 0.00 0.00 179.97 179.49 1bw5 h VAL 46 N -0.12 1.10 0.40 2.04 2.07 -1.95 -2.90 116.25 116.90 1bw5 h VAL 46 Ca 0.01 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1bw5 h VAL 46 Cb 0.14 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1bw5 h VAL 46 CO -0.10 0.12 -0.19 0.40 0.02 0.00 0.00 177.57 177.81 1bw5 h ILE 47 N 0.63 0.60 -0.10 4.57 1.08 -1.43 -2.52 117.51 120.34 1bw5 h ILE 47 Ca 0.19 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 1bw5 h ILE 47 Cb -0.02 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.40 1bw5 h ILE 47 CO -0.04 0.05 -0.27 -0.09 -0.69 0.00 0.00 178.15 177.10 1bw5 h ARG 48 N -0.69 -0.35 0.00 2.37 2.43 -0.59 -2.34 114.38 115.21 1bw5 h ARG 48 Ca -0.06 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1bw5 h ARG 48 Cb 0.50 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1bw5 h ARG 48 CO 0.09 -0.23 -0.17 -0.24 -1.51 0.00 0.00 179.97 177.91 1bw5 h VAL 49 N -0.36 1.09 0.14 0.20 3.04 -1.56 -3.28 116.25 115.52 1bw5 h VAL 49 Ca 0.09 -0.58 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1bw5 h VAL 49 Cb 0.50 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 1bw5 h VAL 49 CO -0.30 0.16 -0.22 -0.25 -1.01 0.00 0.00 177.57 175.95 1bw5 h TRP 50 N 0.00 -0.62 -0.25 3.17 7.01 -0.95 0.16 115.95 124.46 1bw5 h TRP 50 Ca -0.00 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.05 1bw5 h TRP 50 Cb 0.30 0.25 -0.07 0.00 -2.10 0.00 0.00 29.16 27.54 1bw5 h TRP 50 CO 0.00 -0.27 -0.55 0.74 -2.79 0.00 0.00 178.44 175.57 1bw5 h PHE 51 N -0.38 -1.65 0.00 2.65 0.04 -1.64 1.50 116.94 117.46 1bw5 h PHE 51 Ca -0.02 0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1bw5 h PHE 51 Cb 0.35 0.75 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1bw5 h PHE 51 CO -0.24 -0.52 0.00 0.94 -0.60 0.00 0.00 178.31 177.89 1bw5 n GLN 52 N -5.41 0.00 -0.13 1.51 0.00 -1.16 -1.56 117.38 110.62 1bw5 n GLN 52 Ca -0.05 0.77 0.22 0.00 -0.00 0.00 0.00 57.00 57.94 1bw5 n GLN 52 Cb 0.36 -1.48 0.64 0.00 0.00 0.00 0.00 30.24 29.76 1bw5 n GLN 52 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1bw5 h ASN 53 N 0.00 0.14 -1.23 1.69 -1.24 -0.42 -1.82 115.58 112.71 1bw5 h ASN 53 Ca 0.00 0.01 0.35 0.00 0.71 0.00 0.00 56.30 57.38 1bw5 h ASN 53 Cb 0.00 -0.02 -0.06 0.00 0.73 0.00 0.00 38.32 38.97 1bw5 h ASN 53 CO 0.00 0.06 0.87 0.50 -1.29 0.00 0.00 177.43 177.57 1bw5 h LYS 54 N 0.14 0.07 0.22 6.67 1.63 0.31 -1.42 116.57 124.20 1bw5 h LYS 54 Ca 0.37 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1bw5 h LYS 54 Cb 1.24 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 1bw5 h LYS 54 CO -0.06 0.05 -0.38 -0.09 -3.45 0.00 0.00 179.45 175.52 1bw5 h ARG 55 N 0.07 -0.62 -0.75 1.90 2.43 -1.36 0.36 114.38 116.41 1bw5 h ARG 55 Ca 0.61 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.86 1bw5 h ARG 55 Cb 2.27 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 31.92 1bw5 h ARG 55 CO -0.08 -0.42 0.47 0.00 -1.51 0.00 0.00 179.97 178.43 1bw5 h LYS 57 N 0.90 0.00 -0.02 0.00 1.79 -1.10 -2.09 116.57 116.05 1bw5 h LYS 57 Ca 0.31 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.74 1bw5 h LYS 57 Cb 0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1bw5 h LYS 57 CO -0.13 0.18 -0.19 0.22 -1.08 0.00 0.00 179.45 178.46 1bw5 h ASP 58 N 0.00 0.03 0.74 0.86 3.58 0.83 -2.28 116.42 120.18 1bw5 h ASP 58 Ca -0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1bw5 h ASP 58 Cb 0.38 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 1bw5 h ASP 58 CO 0.02 0.22 -0.10 0.11 -2.88 0.00 0.00 179.24 176.61 1bw5 h LYS 59 N 0.03 0.00 0.00 0.28 1.57 -1.34 -2.78 116.57 114.33 1bw5 h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bw5 h LYS 59 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1bw5 h LYS 59 CO 0.02 0.10 -0.56 -0.22 -0.57 0.00 0.00 179.45 178.22 1bw5 h LYS 60 N 0.00 0.00 -6.53 3.15 3.11 -1.51 -3.46 116.57 111.33 1bw5 h LYS 60 Ca -0.00 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 57.31 1bw5 h LYS 60 Cb 0.50 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.73 1bw5 h LYS 60 CO 0.01 0.00 0.56 1.03 -2.81 0.00 0.00 179.45 178.25 1bw5 s ARG 61 N -3.28 4.45 0.84 1.90 1.81 -1.05 -5.03 118.95 118.59 1bw5 s ARG 61 Ca 0.03 1.81 -0.12 0.00 -1.72 0.00 0.00 55.73 55.73 1bw5 s ARG 61 Cb 0.09 -3.31 0.11 0.00 -0.45 0.00 0.00 34.95 31.38 1bw5 s ARG 61 CO 0.73 -0.21 1.20 -1.54 -0.68 0.00 0.00 175.30 174.80 1bw5 s SER 62 N 0.80 4.18 -0.51 0.23 1.04 -1.26 -5.00 113.70 113.17 1bw5 s SER 62 Ca 0.57 0.62 -0.19 0.00 0.48 0.00 0.00 55.95 57.43 1bw5 s SER 62 Cb -0.31 -1.00 0.06 0.00 0.10 0.00 0.00 66.02 64.87 1bw5 s SER 62 CO 0.31 -2.09 0.62 -0.63 0.98 0.00 0.00 173.24 172.43 1bw5 s ILE 63 N -3.63 4.88 0.41 -1.02 1.01 -1.26 -5.03 121.20 116.56 1bw5 s ILE 63 Ca 0.65 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 60.49 1bw5 s ILE 63 Cb -0.09 -4.31 -0.10 0.00 0.01 0.00 0.00 42.46 37.97 1bw5 s ILE 63 CO 0.50 -0.82 1.22 0.23 0.00 0.00 0.00 174.94 176.07 1bw5 n MET 64 N 6.15 1.84 -2.68 2.79 2.81 -1.26 -4.98 117.12 121.78 1bw5 n MET 64 Ca -0.07 0.65 -0.28 0.00 -1.81 0.00 0.00 57.70 56.19 1bw5 n MET 64 Cb 0.45 -2.31 -0.01 0.00 -0.71 0.00 0.00 33.22 30.65 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1bw5 s MET 65 N -2.12 3.59 0.00 0.03 -1.94 -1.26 -5.34 119.30 112.25 1bw5 s MET 65 Ca 0.61 0.25 0.22 0.00 -1.71 0.00 0.00 55.69 55.06 1bw5 s MET 65 Cb -0.53 -2.38 0.18 0.00 2.01 0.00 0.00 34.83 34.11 1bw5 s MET 65 CO 0.58 -0.17 1.21 1.17 -0.01 0.00 0.00 175.02 177.80