#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 -1.33 -2.56 0.03 4.81 -1.26 -4.96 118.16 112.89 1bw5 n LYS 2 Ca 0.00 1.09 -0.24 0.00 -0.87 0.00 0.00 58.31 58.29 1bw5 n LYS 2 Cb 0.00 -5.39 0.13 0.00 0.02 0.00 0.00 35.03 29.79 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1bw5 s THR 3 N -2.56 2.01 -1.37 3.15 2.01 -1.26 -4.46 115.64 113.17 1bw5 s THR 3 Ca 0.00 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 1bw5 s THR 3 Cb 0.00 -2.44 0.02 0.00 0.01 0.00 0.00 72.50 70.09 1bw5 s THR 3 CO 0.00 0.00 1.12 0.41 -0.69 0.00 0.00 174.62 175.46 1bw5 n THR 4 N -2.99 -3.25 -0.29 -0.82 -1.04 -1.26 -4.96 114.28 99.67 1bw5 n THR 4 Ca 0.17 -0.08 -0.19 0.00 -2.04 0.00 0.00 64.05 61.91 1bw5 n THR 4 Cb 0.61 -3.93 0.18 0.00 -1.82 0.00 0.00 70.33 65.37 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 -4.84 -2.80 -3.43 -2.82 1.74 -1.26 -4.92 116.66 98.33 1bw5 n ARG 5 Ca -0.03 -0.90 -0.44 0.00 -0.77 0.00 0.00 57.85 55.71 1bw5 n ARG 5 Cb 0.57 -1.39 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bw5 s VAL 6 N -1.84 5.22 -0.39 1.55 1.01 -1.26 -4.96 120.40 119.73 1bw5 s VAL 6 Ca 0.42 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1bw5 s VAL 6 Cb -0.07 -4.01 0.27 0.00 0.00 0.00 0.00 36.38 32.56 1bw5 s VAL 6 CO 0.35 -0.44 0.57 -1.14 0.00 0.00 0.00 175.10 174.44 1bw5 n ARG 7 N 5.17 0.76 -3.43 2.72 0.63 -1.26 -5.05 116.66 116.20 1bw5 n ARG 7 Ca -0.12 -3.21 -0.18 0.00 -0.92 0.00 0.00 57.85 53.42 1bw5 n ARG 7 Cb 0.45 -1.31 -0.11 0.00 0.45 0.00 0.00 32.46 31.95 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1bw5 s THR 8 N -1.36 -0.36 0.56 5.15 -4.23 -1.26 -5.05 115.64 109.10 1bw5 s THR 8 Ca 0.36 -0.42 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1bw5 s THR 8 Cb 0.21 -0.91 0.07 0.00 1.34 0.00 0.00 72.50 73.20 1bw5 s THR 8 CO -0.11 -0.43 0.77 0.68 -0.54 0.00 0.00 174.62 175.00 1bw5 s VAL 9 N 2.33 2.43 -0.21 2.29 -7.23 -1.26 -5.11 120.40 113.64 1bw5 s VAL 9 Ca 0.09 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1bw5 s VAL 9 Cb -0.15 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.33 1bw5 s VAL 9 CO -0.28 0.00 0.16 -0.76 -0.31 0.00 0.00 175.10 173.91 1bw5 s LEU 10 N -4.69 0.17 0.00 1.32 2.01 -1.26 -4.91 118.68 111.32 1bw5 s LEU 10 Ca 0.60 -0.60 0.00 0.00 0.01 0.00 0.00 54.13 54.15 1bw5 s LEU 10 Cb -0.07 0.02 0.00 0.00 0.01 0.00 0.00 46.19 46.15 1bw5 s LEU 10 CO 0.38 -0.36 0.00 -0.46 1.01 0.00 0.00 176.35 176.92 1bw5 n ASN 11 N 5.29 0.00 -0.10 2.29 6.94 -1.26 -4.95 115.26 123.48 1bw5 n ASN 11 Ca -0.06 -0.49 0.27 0.00 -0.02 0.00 0.00 54.58 54.28 1bw5 n ASN 11 Cb 0.48 0.00 0.68 0.00 -2.36 0.00 0.00 39.78 38.58 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 5.08 -2.00 0.82 114.58 114.65 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 1.17 -1.00 0.00 0.00 179.01 179.18 1bw5 n LYS 13 N -3.74 0.00 -0.14 2.33 3.00 -1.26 -2.74 118.16 115.61 1bw5 n LYS 13 Ca 0.16 0.46 -0.09 0.00 -0.00 0.00 0.00 58.31 58.84 1bw5 n LYS 13 Cb 1.01 -1.25 -0.00 0.00 0.00 0.00 0.00 35.03 34.78 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1bw5 h GLN 14 N 0.00 0.64 -0.20 1.64 7.50 -1.83 -3.21 115.11 119.65 1bw5 h GLN 14 Ca 0.00 -0.13 0.06 0.00 0.50 0.00 0.00 58.65 59.08 1bw5 h GLN 14 Cb 0.00 -0.10 -0.07 0.00 0.05 0.00 0.00 27.48 27.36 1bw5 h GLN 14 CO 0.00 0.62 -0.30 1.25 -1.50 0.00 0.00 178.83 178.90 1bw5 h LEU 15 N 0.54 -0.96 -0.79 1.46 7.12 -0.99 -1.15 115.31 120.54 1bw5 h LEU 15 Ca 0.14 0.15 0.19 0.00 0.13 0.00 0.00 57.88 58.49 1bw5 h LEU 15 Cb 0.23 0.42 -0.12 0.00 -0.53 0.00 0.00 40.66 40.66 1bw5 h LEU 15 CO -0.01 -0.33 0.20 0.45 -0.13 0.00 0.00 178.44 178.62 1bw5 h HIS 16 N -0.34 0.30 0.23 1.25 3.86 -1.52 0.62 115.15 119.55 1bw5 h HIS 16 Ca 0.12 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1bw5 h HIS 16 Cb 0.52 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 1bw5 h HIS 16 CO -0.42 -0.13 -0.17 1.15 0.86 0.00 0.00 177.93 179.21 1bw5 h THR 17 N 0.25 0.00 -0.97 2.45 2.02 -1.23 -2.38 112.91 113.05 1bw5 h THR 17 Ca 0.47 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.81 1bw5 h THR 17 Cb 0.85 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.17 1bw5 h THR 17 CO -0.57 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 175.86 1bw5 h LEU 18 N -0.38 0.77 -0.09 2.58 3.38 -1.01 -2.73 115.31 117.84 1bw5 h LEU 18 Ca -0.03 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1bw5 h LEU 18 Cb 0.32 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1bw5 h LEU 18 CO 0.01 0.35 -0.52 0.03 0.09 0.00 0.00 178.44 178.40 1bw5 h ARG 19 N 0.79 -0.58 0.00 1.13 2.47 0.64 0.60 114.38 119.43 1bw5 h ARG 19 Ca 0.52 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.27 1bw5 h ARG 19 Cb 0.76 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1bw5 h ARG 19 CO -0.29 -0.38 -0.02 0.00 0.56 0.00 0.00 179.97 179.84 1bw5 h THR 20 N -0.60 0.45 0.89 2.04 1.03 -1.12 -3.01 112.91 112.59 1bw5 h THR 20 Ca 0.04 -0.08 -0.04 0.00 -0.01 0.00 0.00 66.41 66.31 1bw5 h THR 20 Cb 0.69 1.05 0.01 0.00 -1.07 0.00 0.00 68.15 68.83 1bw5 h THR 20 CO -0.40 0.02 -0.43 0.00 -0.01 0.00 0.00 175.52 174.69 1bw5 h TYR 22 N -1.30 0.84 -0.07 0.00 3.20 -1.34 0.24 116.97 118.54 1bw5 h TYR 22 Ca -0.12 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.80 1bw5 h TYR 22 Cb 0.92 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 1bw5 h TYR 22 CO 0.00 0.16 0.26 0.00 -1.64 0.00 0.00 178.16 176.95 1bw5 h ALA 23 N 1.61 1.42 0.04 1.82 0.00 -1.55 -2.38 119.26 120.22 1bw5 h ALA 23 Ca 0.51 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.07 1bw5 h ALA 23 Cb 0.78 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1bw5 h ALA 23 CO -0.39 -0.30 -1.99 0.00 0.00 0.00 0.00 179.25 176.56 1bw5 n ALA 24 N -2.03 1.03 -3.63 0.00 0.00 0.81 -5.00 120.51 111.68 1bw5 n ALA 24 Ca -0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 53.44 52.58 1bw5 n ALA 24 Cb 0.34 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 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 -6.97 -0.83 0.00 0.00 2.47 -0.89 -5.03 114.94 103.69 1bw5 s ASN 25 Ca -0.30 1.40 0.29 0.00 0.42 0.00 0.00 52.86 54.68 1bw5 s ASN 25 Cb 0.08 1.32 1.74 0.00 -1.45 0.00 0.00 41.25 42.94 1bw5 s ASN 25 CO 0.63 -0.23 2.08 -0.81 -3.72 0.00 0.00 177.10 175.05 1bw5 n PRO 26 N 3.83 0.93 -3.36 0.43 -0.04 -1.26 -4.39 135.00 131.13 1bw5 n PRO 26 Ca -0.19 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.08 1bw5 n PRO 26 Cb 0.57 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.00 0.66 0.47 0.54 3.52 -1.26 -5.12 118.95 115.76 1bw5 s ARG 27 Ca 0.44 -1.03 -0.05 0.00 -0.13 0.00 0.00 55.73 54.96 1bw5 s ARG 27 Cb 0.20 -0.84 0.10 0.00 -1.56 0.00 0.00 34.95 32.85 1bw5 s ARG 27 CO 0.34 -1.22 0.64 -0.35 -0.81 0.00 0.00 175.30 173.90 1bw5 n PRO 28 N 4.08 -0.29 -1.42 5.12 -0.04 -1.26 -5.11 135.00 136.07 1bw5 n PRO 28 Ca 0.13 -1.27 -0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1bw5 n PRO 28 Cb 0.44 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 1bw5 n PRO 28 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bw5 n ASP 29 N -3.24 -0.08 -0.41 3.54 5.75 -1.26 -4.99 116.55 115.87 1bw5 n ASP 29 Ca 0.09 -1.04 0.39 0.00 -0.01 0.00 0.00 54.79 54.22 1bw5 n ASP 29 Cb 0.31 0.12 0.66 0.00 -1.03 0.00 0.00 41.12 41.19 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bw5 h ALA 30 N 2.00 3.31 -3.00 2.12 0.00 -1.99 0.24 119.26 121.93 1bw5 h ALA 30 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bw5 h ALA 30 Cb 0.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bw5 h ALA 30 CO 0.02 -1.92 0.00 1.28 0.00 0.00 0.00 179.25 178.62 1bw5 n LEU 31 N -3.68 0.59 0.26 0.00 7.99 -1.26 -3.51 117.00 117.39 1bw5 n LEU 31 Ca 0.31 0.28 0.11 0.00 -0.01 0.00 0.00 56.01 56.70 1bw5 n LEU 31 Cb 1.63 0.00 0.71 0.00 -0.11 0.00 0.00 43.42 45.65 1bw5 n LEU 31 CO 0.35 0.00 1.01 0.24 -1.51 0.00 0.00 177.39 177.48 1bw5 h MET 32 N 0.00 0.00 -0.93 3.23 2.86 -1.91 -2.90 114.93 115.28 1bw5 h MET 32 Ca 0.00 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.85 1bw5 h MET 32 Cb 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.54 1bw5 h MET 32 CO 0.00 0.08 0.48 0.87 1.06 0.00 0.00 176.91 179.41 1bw5 h LYS 33 N 0.00 0.52 0.29 1.72 1.57 -0.64 -1.50 116.57 118.52 1bw5 h LYS 33 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1bw5 h LYS 33 Cb 0.18 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1bw5 h LYS 33 CO 0.01 0.34 -0.17 1.49 -0.57 0.00 0.00 179.45 180.55 1bw5 h GLU 34 N 0.53 -0.42 -0.52 3.15 4.81 -1.55 -2.63 114.58 117.96 1bw5 h GLU 34 Ca 0.57 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.86 1bw5 h GLU 34 Cb 1.01 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1bw5 h GLU 34 CO -0.47 -0.28 0.28 1.96 -0.73 0.00 0.00 179.01 179.77 1bw5 h GLN 35 N -0.44 0.53 -0.96 1.92 4.20 -1.49 -1.54 115.11 117.33 1bw5 h GLN 35 Ca -0.03 -0.03 0.23 0.00 0.06 0.00 0.00 58.65 58.88 1bw5 h GLN 35 Cb 0.36 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 1bw5 h GLN 35 CO 0.04 0.35 0.63 -0.07 -0.67 0.00 0.00 178.83 179.11 1bw5 h LEU 36 N 0.54 0.40 0.37 1.46 3.38 -1.05 -2.56 115.31 117.87 1bw5 h LEU 36 Ca 0.22 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1bw5 h LEU 36 Cb 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1bw5 h LEU 36 CO -0.14 0.13 -0.25 0.58 0.09 0.00 0.00 178.44 178.85 1bw5 h VAL 37 N 0.39 0.00 -0.89 1.22 2.07 -0.92 -1.67 116.25 116.45 1bw5 h VAL 37 Ca 0.51 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.19 1bw5 h VAL 37 Cb 1.32 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1bw5 h VAL 37 CO -0.21 0.00 0.57 -0.08 0.02 0.00 0.00 177.57 177.88 1bw5 h GLU 38 N -0.59 0.58 -0.02 1.57 4.57 -1.55 -1.38 114.58 117.77 1bw5 h GLU 38 Ca -0.05 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 1bw5 h GLU 38 Cb 0.48 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1bw5 h GLU 38 CO 0.04 0.39 -0.35 0.52 -1.18 0.00 0.00 179.01 178.42 1bw5 h MET 39 N 0.60 0.03 0.00 1.92 2.86 -1.19 -3.14 114.93 116.01 1bw5 h MET 39 Ca 0.45 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1bw5 h MET 39 Cb 0.85 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1bw5 h MET 39 CO -0.20 0.38 -0.89 -2.37 1.06 0.00 0.00 176.91 174.89 1bw5 n THR 40 N -4.12 0.02 -2.56 2.22 5.66 -0.56 -4.97 114.28 109.97 1bw5 n THR 40 Ca -0.02 -0.05 -0.17 0.00 -3.05 0.00 0.00 64.05 60.76 1bw5 n THR 40 Cb 0.39 0.62 0.01 0.00 -1.55 0.00 0.00 70.33 69.81 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 1.47 -0.28 3.48 1.09 0.00 -0.94 -4.99 105.19 105.02 1bw5 n GLY 41 Ca 0.04 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.95 -0.09 1.06 0.99 0.05 -1.26 -5.09 118.68 109.39 1bw5 s LEU 42 Ca 0.11 -0.31 -0.12 0.00 0.05 0.00 0.00 54.13 53.86 1bw5 s LEU 42 Cb -0.05 2.28 0.20 0.00 -2.05 0.00 0.00 46.19 46.57 1bw5 s LEU 42 CO 0.14 -1.01 0.93 -1.54 -0.55 0.00 0.00 176.35 174.31 1bw5 n SER 43 N -0.34 -1.05 0.08 1.48 3.41 -1.26 -4.84 113.62 111.10 1bw5 n SER 43 Ca -0.13 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.70 1bw5 n SER 43 Cb 0.63 -1.31 0.46 0.00 -0.26 0.00 0.00 64.21 63.73 1bw5 n SER 43 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1bw5 n PRO 44 N -4.21 0.15 -0.07 4.33 -0.04 -1.26 -3.72 135.00 130.18 1bw5 n PRO 44 Ca 0.06 0.25 -0.07 0.00 -0.04 0.00 0.00 63.50 63.70 1bw5 n PRO 44 Cb 0.54 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.16 -0.47 0.54 3.08 -2.02 -0.91 114.38 114.45 1bw5 h ARG 45 Ca 0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1bw5 h ARG 45 Cb 0.50 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1bw5 h ARG 45 CO 0.00 -0.11 0.13 0.28 -1.07 0.00 0.00 179.97 179.21 1bw5 h VAL 46 N -0.16 1.20 -0.05 2.04 2.07 -1.95 -3.04 116.25 116.35 1bw5 h VAL 46 Ca 0.15 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1bw5 h VAL 46 Cb 0.40 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1bw5 h VAL 46 CO -0.39 0.26 -0.07 0.40 0.02 0.00 0.00 177.57 177.79 1bw5 h ILE 47 N 0.68 0.81 0.19 4.57 1.08 -1.35 -2.65 117.51 120.84 1bw5 h ILE 47 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1bw5 h ILE 47 Cb 0.23 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 1bw5 h ILE 47 CO -0.01 0.00 -0.46 -0.09 -0.69 0.00 0.00 178.15 176.91 1bw5 h ARG 48 N -0.10 -0.69 -0.42 2.37 1.12 -1.30 -2.77 114.38 112.60 1bw5 h ARG 48 Ca 0.05 0.05 0.04 0.00 -1.11 0.00 0.00 59.98 59.00 1bw5 h ARG 48 Cb 0.16 0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1bw5 h ARG 48 CO -0.11 -0.46 0.28 -0.24 -3.11 0.00 0.00 179.97 176.33 1bw5 h VAL 49 N -0.72 1.01 0.37 0.20 3.04 -1.60 -3.08 116.25 115.48 1bw5 h VAL 49 Ca -0.02 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1bw5 h VAL 49 Cb 0.69 0.56 -0.03 0.00 -2.01 0.00 0.00 31.29 30.51 1bw5 h VAL 49 CO -0.20 0.07 -0.41 -0.25 -1.01 0.00 0.00 177.57 175.77 1bw5 h TRP 50 N 0.41 -1.13 -0.56 3.17 7.01 -1.17 -1.98 115.95 121.70 1bw5 h TRP 50 Ca 0.17 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.24 1bw5 h TRP 50 Cb 0.19 0.45 -0.05 0.00 -2.10 0.00 0.00 29.16 27.64 1bw5 h TRP 50 CO -0.00 -0.56 0.28 0.74 -2.79 0.00 0.00 178.44 176.11 1bw5 h PHE 51 N -0.82 0.51 -0.01 2.65 0.04 -1.54 -1.77 116.94 116.01 1bw5 h PHE 51 Ca -0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bw5 h PHE 51 Cb 0.74 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1bw5 h PHE 51 CO -0.24 0.23 -0.09 0.37 -0.60 0.00 0.00 178.31 177.98 1bw5 h GLN 52 N 0.53 -0.10 -0.50 1.51 -0.00 -1.40 -2.70 115.11 112.45 1bw5 h GLN 52 Ca 0.25 0.01 0.09 0.00 -0.00 0.00 0.00 58.65 59.00 1bw5 h GLN 52 Cb 0.18 0.02 -0.08 0.00 0.00 0.00 0.00 27.48 27.60 1bw5 h GLN 52 CO -0.18 -0.07 0.03 -0.91 0.00 0.00 0.00 178.83 177.70 1bw5 h ASN 53 N -0.10 -0.16 -0.85 -0.69 2.35 -1.29 -2.32 115.58 112.52 1bw5 h ASN 53 Ca 0.00 0.11 0.22 0.00 -0.55 0.00 0.00 56.30 56.08 1bw5 h ASN 53 Cb 0.12 0.19 -0.15 0.00 0.05 0.00 0.00 38.32 38.53 1bw5 h ASN 53 CO -0.06 -0.05 0.11 0.50 -1.65 0.00 0.00 177.43 176.28 1bw5 h LYS 54 N 0.15 0.13 0.02 0.81 1.63 -1.05 -1.49 116.57 116.77 1bw5 h LYS 54 Ca 0.25 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.07 1bw5 h LYS 54 Cb 0.37 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 1bw5 h LYS 54 CO -0.39 0.08 -0.25 -0.09 -3.45 0.00 0.00 179.45 175.35 1bw5 h ARG 55 N 0.13 -0.38 0.30 1.90 9.65 -1.11 0.37 114.38 125.25 1bw5 h ARG 55 Ca 0.51 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.41 1bw5 h ARG 55 Cb 0.99 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 1bw5 h ARG 55 CO -0.71 -0.26 -0.22 0.00 2.80 0.00 0.00 179.97 181.58 1bw5 h LYS 57 N -0.53 0.77 -3.33 0.00 1.57 -1.28 -3.18 116.57 110.58 1bw5 h LYS 57 Ca -0.02 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.49 1bw5 h LYS 57 Cb 0.46 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1bw5 h LYS 57 CO 0.00 0.54 1.53 -0.25 -0.57 0.00 0.00 179.45 180.71 1bw5 n ASP 58 N -4.65 2.94 0.20 0.86 9.92 0.13 -4.45 116.55 121.50 1bw5 n ASP 58 Ca 0.04 -2.12 0.05 0.00 -0.53 0.00 0.00 54.79 52.22 1bw5 n ASP 58 Cb 0.05 -0.80 0.41 0.00 -0.64 0.00 0.00 41.12 40.14 1bw5 n ASP 58 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1bw5 h LYS 59 N 6.29 0.00 0.00 -1.24 1.57 -1.72 -3.41 116.57 118.06 1bw5 h LYS 59 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1bw5 h LYS 59 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1bw5 h LYS 59 CO 1.04 0.34 0.00 1.63 -0.57 0.00 0.00 179.45 181.89 1bw5 n LYS 60 N -3.91 0.00 -1.72 3.15 4.76 -1.26 -4.98 118.16 114.20 1bw5 n LYS 60 Ca -0.02 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.25 1bw5 n LYS 60 Cb 0.40 -0.28 -0.08 0.00 -1.84 0.00 0.00 35.03 33.23 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1bw5 s ARG 61 N -1.42 1.76 -0.14 1.97 6.06 -1.26 -4.32 118.95 121.60 1bw5 s ARG 61 Ca 0.00 -0.04 0.06 0.00 -2.50 0.00 0.00 55.73 53.24 1bw5 s ARG 61 Cb 0.00 -4.93 0.17 0.00 0.06 0.00 0.00 34.95 30.25 1bw5 s ARG 61 CO 0.00 -4.46 1.15 0.45 -2.50 0.00 0.00 175.30 169.95 1bw5 n SER 62 N 17.62 -1.10 -4.77 -2.12 2.88 -1.26 -4.76 113.62 120.11 1bw5 n SER 62 Ca 0.44 -1.94 -0.38 0.00 -1.33 0.00 0.00 58.87 55.66 1bw5 n SER 62 Cb 0.45 0.43 -0.06 0.00 -0.75 0.00 0.00 64.21 64.29 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1bw5 s ILE 63 N 0.06 4.98 -0.21 2.46 1.01 -1.26 -5.04 121.20 123.20 1bw5 s ILE 63 Ca 0.04 1.12 -0.27 0.00 0.00 0.00 0.00 60.65 61.54 1bw5 s ILE 63 Cb 0.19 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 1bw5 s ILE 63 CO -0.06 0.43 0.95 -0.32 0.00 0.00 0.00 174.94 175.94 1bw5 s MET 64 N -0.20 4.27 0.44 2.79 1.75 -1.26 -4.76 119.30 122.33 1bw5 s MET 64 Ca 0.29 1.21 0.00 0.00 -1.25 0.00 0.00 55.69 55.93 1bw5 s MET 64 Cb -0.17 -3.62 0.00 0.00 2.84 0.00 0.00 34.83 33.88 1bw5 s MET 64 CO 0.15 -0.51 0.00 -0.12 -0.65 0.00 0.00 175.02 173.89 1bw5 n MET 65 N 5.88 -4.52 0.00 4.11 0.00 -1.26 -5.22 117.12 116.10 1bw5 n MET 65 Ca 0.09 3.33 0.04 0.00 -0.00 0.00 0.00 57.70 61.16 1bw5 n MET 65 Cb 0.47 -3.71 0.03 0.00 0.00 0.00 0.00 33.22 30.01 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14