#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 s SER 2 N 0.00 -0.78 0.30 6.43 0.01 -1.26 -5.17 113.70 113.23 1f55 s SER 2 Ca 0.00 0.67 0.02 0.00 1.31 0.00 0.00 55.95 57.95 1f55 s SER 2 Cb 0.00 1.72 0.02 0.00 0.21 0.00 0.00 66.02 67.97 1f55 s SER 2 CO 0.00 -0.15 0.17 0.59 0.41 0.00 0.00 173.24 174.27 1f55 n ASN 3 N 5.32 2.17 0.00 2.44 4.13 -1.26 -5.15 115.26 122.92 1f55 n ASN 3 Ca -0.06 -2.10 0.00 0.00 1.68 0.00 0.00 54.58 54.09 1f55 n ASN 3 Cb 0.52 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 1f55 n ASN 3 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1f55 n LEU 4 N 0.00 0.00 0.00 3.41 7.99 -1.26 -4.09 117.00 123.05 1f55 n LEU 4 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1f55 n LEU 4 Cb 0.35 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1f55 n LEU 4 CO 0.20 0.00 0.00 0.35 -1.51 0.00 0.00 177.39 176.43 1f55 n THR 5 N 0.00 0.00 -0.50 -5.08 -2.24 -1.26 0.37 114.28 105.57 1f55 n THR 5 Ca 0.00 0.00 0.43 0.00 -2.27 0.00 0.00 64.05 62.21 1f55 n THR 5 Cb 0.00 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 68.94 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.00 -0.08 -0.78 -0.00 -1.97 1.18 114.58 112.92 1f55 h GLU 6 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.29 1f55 h GLU 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1f55 h GLU 6 CO 0.00 0.00 -0.23 1.49 -0.00 0.00 0.00 179.01 180.27 1f55 h GLU 7 N 0.00 0.30 -0.16 1.06 4.22 -0.38 -1.35 114.58 118.27 1f55 h GLU 7 Ca 0.74 -0.21 -0.12 0.00 0.08 0.00 0.00 59.36 59.85 1f55 h GLU 7 Cb 3.26 0.03 0.00 0.00 0.50 0.00 0.00 28.75 32.55 1f55 h GLU 7 CO -0.01 0.83 -0.35 -0.56 -2.18 0.00 0.00 179.01 176.74 1f55 h GLN 8 N -0.18 0.53 0.40 1.92 3.07 0.16 -2.75 115.11 118.26 1f55 h GLN 8 Ca -0.01 -0.35 -0.01 0.00 0.09 0.00 0.00 58.65 58.37 1f55 h GLN 8 Cb 0.84 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.44 1f55 h GLN 8 CO 0.05 0.96 -0.36 0.82 0.09 0.00 0.00 178.83 180.39 1f55 h ILE 9 N 0.17 0.00 -0.81 1.86 2.04 -0.59 0.32 117.51 120.49 1f55 h ILE 9 Ca 0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1f55 h ILE 9 Cb 0.95 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.88 1f55 h ILE 9 CO 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.14 1f55 h ALA 10 N -1.20 0.72 -0.46 1.87 0.00 -1.32 0.52 119.26 119.38 1f55 h ALA 10 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1f55 h ALA 10 Cb 0.64 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1f55 h ALA 10 CO -0.02 -0.43 0.29 1.49 0.00 0.00 0.00 179.25 180.58 1f55 h GLU 11 N 0.04 0.61 0.00 0.00 4.81 -1.11 -2.74 114.58 116.20 1f55 h GLU 11 Ca 0.43 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1f55 h GLU 11 Cb 0.73 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1f55 h GLU 11 CO -0.78 0.42 -0.00 0.74 -0.73 0.00 0.00 179.01 178.66 1f55 h PHE 12 N 0.62 -0.00 -0.87 0.92 0.04 0.38 -2.67 116.94 115.36 1f55 h PHE 12 Ca 0.17 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.08 1f55 h PHE 12 Cb -0.05 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 37.96 1f55 h PHE 12 CO -0.04 0.05 -0.35 0.87 -0.60 0.00 0.00 178.31 178.24 1f55 h LYS 13 N -0.05 -0.05 -0.63 1.51 1.57 -0.02 1.15 116.57 120.06 1f55 h LYS 13 Ca -0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1f55 h LYS 13 Cb 0.05 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1f55 h LYS 13 CO 0.00 -0.03 0.25 0.93 -0.57 0.00 0.00 179.45 180.03 1f55 h GLU 14 N -0.05 0.42 -0.22 3.15 4.39 -1.25 -1.36 114.58 119.67 1f55 h GLU 14 Ca 0.33 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 1f55 h GLU 14 Cb 0.59 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1f55 h GLU 14 CO -0.89 0.28 0.09 0.00 -1.16 0.00 0.00 179.01 177.33 1f55 h ALA 15 N 1.42 0.29 -0.16 3.43 0.00 0.13 -2.73 119.26 121.64 1f55 h ALA 15 Ca 0.31 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1f55 h ALA 15 Cb 0.38 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1f55 h ALA 15 CO -0.30 -0.12 -0.41 0.35 0.00 0.00 0.00 179.25 178.77 1f55 h PHE 16 N 0.20 -1.22 -0.92 0.00 3.57 0.14 0.19 116.94 118.90 1f55 h PHE 16 Ca 0.07 0.05 0.27 0.00 3.53 0.00 0.00 57.97 61.89 1f55 h PHE 16 Cb 0.18 0.55 -0.15 0.00 2.79 0.00 0.00 35.95 39.32 1f55 h PHE 16 CO -0.01 -0.40 0.28 0.00 -2.23 0.00 0.00 178.31 175.95 1f55 h ALA 17 N -0.53 1.43 -0.78 2.41 0.00 -1.33 0.99 119.26 121.45 1f55 h ALA 17 Ca 0.03 0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1f55 h ALA 17 Cb 0.49 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1f55 h ALA 17 CO -0.36 -0.53 0.46 -0.07 0.00 0.00 0.00 179.25 178.75 1f55 h LEU 18 N 0.18 0.69 -0.28 0.00 3.38 -0.37 -1.88 115.31 117.03 1f55 h LEU 18 Ca 0.61 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.60 1f55 h LEU 18 Cb 1.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1f55 h LEU 18 CO -0.69 0.43 0.17 -0.26 0.09 0.00 0.00 178.44 178.18 1f55 h PHE 19 N 0.82 0.37 -3.96 1.13 0.04 0.24 -3.43 116.94 112.15 1f55 h PHE 19 Ca 0.35 -0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.67 1f55 h PHE 19 Cb 0.23 -0.12 0.15 0.00 2.20 0.00 0.00 35.95 38.41 1f55 h PHE 19 CO -0.06 0.28 0.24 0.34 -0.60 0.00 0.00 178.31 178.52 1f55 s ASP 20 N -5.52 2.67 -0.08 2.17 2.15 -0.67 -2.70 116.67 114.69 1f55 s ASP 20 Ca -0.13 0.90 0.17 0.00 0.43 0.00 0.00 52.55 53.92 1f55 s ASP 20 Cb 0.09 -1.40 0.35 0.00 -0.30 0.00 0.00 42.92 41.67 1f55 s ASP 20 CO 0.71 -3.07 1.16 0.29 -0.17 0.00 0.00 175.17 174.10 1f55 n LYS 21 N -4.09 0.67 -0.55 4.34 4.76 -1.26 -4.78 118.16 117.24 1f55 n LYS 21 Ca 0.08 -2.37 -0.02 0.00 -2.87 0.00 0.00 58.31 53.14 1f55 n LYS 21 Cb 0.59 -0.77 -0.02 0.00 -1.84 0.00 0.00 35.03 32.99 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1f55 n ASP 22 N -0.31 -0.24 -2.36 4.39 5.68 -1.26 -4.97 116.55 117.47 1f55 n ASP 22 Ca 0.11 -1.04 -0.01 0.00 -0.50 0.00 0.00 54.79 53.35 1f55 n ASP 22 Cb 0.88 0.07 -0.00 0.00 -1.14 0.00 0.00 41.12 40.93 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1f55 n ASN 23 N 0.00 -1.25 0.00 -1.12 5.03 -1.26 -4.68 115.26 111.98 1f55 n ASN 23 Ca -0.07 0.43 0.03 0.00 0.87 0.00 0.00 54.58 55.84 1f55 n ASN 23 Cb 0.46 -1.22 0.17 0.00 -1.02 0.00 0.00 39.78 38.17 1f55 n ASN 23 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1f55 n ASN 24 N -1.32 0.00 -0.37 6.41 4.05 -1.26 -4.81 115.26 117.95 1f55 n ASN 24 Ca -0.02 -1.67 -0.05 0.00 0.45 0.00 0.00 54.58 53.29 1f55 n ASN 24 Cb 0.47 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.46 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f55 n GLY 25 N 0.51 0.60 3.06 8.20 0.00 -1.26 -4.94 105.19 111.35 1f55 n GLY 25 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1f55 n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f55 s SER 26 N -2.27 0.17 -0.08 1.61 0.15 -1.26 -3.76 113.70 108.26 1f55 s SER 26 Ca 0.00 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.22 1f55 s SER 26 Cb 0.00 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.49 1f55 s SER 26 CO 0.00 -0.39 -0.12 -0.63 1.20 0.00 0.00 173.24 173.30 1f55 s ILE 27 N -1.85 1.20 0.00 6.45 1.01 0.61 -4.70 121.20 123.92 1f55 s ILE 27 Ca -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1f55 s ILE 27 Cb -0.06 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1f55 s ILE 27 CO -0.02 0.38 0.00 -1.20 0.00 0.00 0.00 174.94 174.10 1f55 n SER 28 N 4.05 0.00 -0.02 3.58 7.64 -1.26 0.32 113.62 127.93 1f55 n SER 28 Ca -0.21 -0.47 -0.13 0.00 1.01 0.00 0.00 58.87 59.08 1f55 n SER 28 Cb 0.51 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 1f55 n SER 28 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1f55 h SER 29 N 0.00 0.12 -0.15 6.43 4.64 -1.82 -2.74 113.55 120.02 1f55 h SER 29 Ca 0.00 -0.39 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 1f55 h SER 29 Cb 0.00 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1f55 h SER 29 CO 0.00 0.48 -0.17 -1.28 -0.87 0.00 0.00 176.83 174.99 1f55 h SER 30 N -0.25 0.42 -0.13 4.97 0.87 -1.94 -2.67 113.55 114.81 1f55 h SER 30 Ca 0.01 -0.49 0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1f55 h SER 30 Cb 0.44 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.21 1f55 h SER 30 CO 0.01 0.83 -0.51 -0.33 -0.53 0.00 0.00 176.83 176.30 1f55 h GLU 31 N 0.02 -0.54 -0.68 2.24 5.08 -1.82 0.20 114.58 119.09 1f55 h GLU 31 Ca 0.02 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1f55 h GLU 31 Cb 0.72 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.02 1f55 h GLU 31 CO 0.04 -0.36 0.32 1.25 -1.00 0.00 0.00 179.01 179.27 1f55 h LEU 32 N -0.56 0.41 -2.02 1.33 7.12 -1.27 0.57 115.31 120.90 1f55 h LEU 32 Ca 0.05 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 1f55 h LEU 32 Cb 0.67 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1f55 h LEU 32 CO -0.43 0.24 -0.04 0.00 -0.13 0.00 0.00 178.44 178.08 1f55 h ALA 33 N 1.41 1.80 -0.95 1.25 0.00 -0.82 -2.73 119.26 119.22 1f55 h ALA 33 Ca 0.33 -0.04 0.30 0.00 0.00 0.00 0.00 54.91 55.50 1f55 h ALA 33 Cb 0.35 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.97 1f55 h ALA 33 CO -0.26 0.06 0.29 1.15 0.00 0.00 0.00 179.25 180.48 1f55 h THR 34 N 0.00 0.16 -1.16 0.00 2.02 0.17 0.70 112.91 114.80 1f55 h THR 34 Ca -0.00 -0.04 0.34 0.00 0.77 0.00 0.00 66.41 67.48 1f55 h THR 34 Cb 0.09 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.48 1f55 h THR 34 CO 0.01 0.02 1.14 0.58 0.37 0.00 0.00 175.52 177.64 1f55 h VAL 35 N 0.12 0.08 0.00 3.16 2.07 -1.62 1.00 116.25 121.06 1f55 h VAL 35 Ca 0.66 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.18 1f55 h VAL 35 Cb 1.47 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1f55 h VAL 35 CO -0.75 0.00 0.12 0.24 0.02 0.00 0.00 177.57 177.20 1f55 h MET 36 N 0.00 0.00 -0.59 1.57 2.86 0.19 -3.06 114.93 115.89 1f55 h MET 36 Ca 0.55 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 58.25 1f55 h MET 36 Cb 2.83 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 34.40 1f55 h MET 36 CO -0.01 0.00 -0.45 -0.09 1.06 0.00 0.00 176.91 177.42 1f55 h ARG 37 N 0.00 -0.12 0.00 1.72 2.43 0.85 2.22 114.38 121.48 1f55 h ARG 37 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1f55 h ARG 37 Cb 0.24 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1f55 h ARG 37 CO 0.00 -0.08 0.30 1.03 -1.51 0.00 0.00 179.97 179.71 1f55 h SER 38 N -0.13 0.00 -0.26 -3.80 0.87 -1.79 0.70 113.55 109.14 1f55 h SER 38 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1f55 h SER 38 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1f55 h SER 38 CO -0.63 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 175.85 1f55 n LEU 39 N -2.88 3.11 0.00 2.23 4.32 0.64 -4.91 117.00 119.51 1f55 n LEU 39 Ca -0.02 -1.38 0.00 0.00 -0.02 0.00 0.00 56.01 54.59 1f55 n LEU 39 Cb 0.35 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1f55 n LEU 39 CO 0.14 0.64 0.00 0.61 -1.22 0.00 0.00 177.39 177.56 1f55 n GLY 40 N 1.26 0.74 2.81 -0.72 0.00 0.24 -4.81 105.19 104.71 1f55 n GLY 40 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1f55 n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f55 n LEU 41 N 0.00 -7.27 -2.70 0.99 7.94 0.45 -4.80 117.00 111.61 1f55 n LEU 41 Ca 0.00 1.22 -0.07 0.00 -1.11 0.00 0.00 56.01 56.05 1f55 n LEU 41 Cb 0.00 -3.06 0.09 0.00 0.53 0.00 0.00 43.42 40.98 1f55 n LEU 41 CO 0.00 -2.87 0.51 -1.54 -1.11 0.00 0.00 177.39 172.38 1f55 n SER 42 N 0.75 -1.81 -4.66 1.96 3.41 -1.26 -4.91 113.62 107.09 1f55 n SER 42 Ca 0.00 -2.48 -0.43 0.00 -0.26 0.00 0.00 58.87 55.70 1f55 n SER 42 Cb 0.11 1.16 -0.02 0.00 -0.26 0.00 0.00 64.21 65.20 1f55 n SER 42 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1f55 s PRO 43 N 0.17 4.27 0.31 4.33 0.04 -1.26 -5.01 135.00 137.85 1f55 s PRO 43 Ca 0.19 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 1f55 s PRO 43 Cb 0.32 -3.65 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 1f55 s PRO 43 CO -0.08 -0.62 1.20 -1.12 0.04 0.00 0.00 177.00 176.42 1f55 s SER 44 N 1.32 7.00 0.36 6.66 0.01 -1.26 -4.55 113.70 123.23 1f55 s SER 44 Ca 0.46 2.46 0.29 0.00 1.31 0.00 0.00 55.95 60.47 1f55 s SER 44 Cb -0.16 -2.64 1.18 0.00 0.21 0.00 0.00 66.02 64.61 1f55 s SER 44 CO 0.08 -0.35 1.17 1.21 0.41 0.00 0.00 173.24 175.75 1f55 n GLU 45 N 0.94 -0.02 0.44 12.44 4.07 -1.26 0.66 120.64 137.91 1f55 n GLU 45 Ca -0.00 0.89 -0.18 0.00 -0.06 0.00 0.00 57.16 57.81 1f55 n GLU 45 Cb 0.44 -1.86 -0.09 0.00 -0.06 0.00 0.00 31.44 29.87 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f55 h ALA 46 N 1.04 -1.14 0.00 4.31 0.00 -1.98 0.28 119.26 121.77 1f55 h ALA 46 Ca 0.67 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1f55 h ALA 46 Cb 2.36 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 20.58 1f55 h ALA 46 CO -0.24 -1.08 -0.37 0.93 0.00 0.00 0.00 179.25 178.50 1f55 h GLU 47 N -1.26 0.00 0.21 0.00 4.39 -0.12 0.17 114.58 117.97 1f55 h GLU 47 Ca -0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1f55 h GLU 47 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1f55 h GLU 47 CO 0.19 0.37 -0.10 0.28 -1.16 0.00 0.00 179.01 178.59 1f55 h VAL 48 N 0.00 0.00 -0.62 3.13 2.07 -0.28 0.17 116.25 120.72 1f55 h VAL 48 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1f55 h VAL 48 Cb 0.69 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1f55 h VAL 48 CO 0.05 0.00 0.39 -1.13 0.02 0.00 0.00 177.57 176.90 1f55 h ASN 49 N -0.39 0.72 -0.01 0.57 -1.24 -0.49 -2.63 115.58 112.12 1f55 h ASN 49 Ca -0.03 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 1f55 h ASN 49 Cb 0.22 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 1f55 h ASN 49 CO 0.05 0.54 0.00 -0.78 -1.29 0.00 0.00 177.43 175.95 1f55 h ASP 50 N 0.85 0.01 -0.52 1.15 3.58 -0.69 -1.07 116.42 119.73 1f55 h ASP 50 Ca 0.23 -0.24 0.10 0.00 0.42 0.00 0.00 57.03 57.54 1f55 h ASP 50 Cb -0.06 -0.00 -0.10 0.00 1.72 0.00 0.00 39.33 40.89 1f55 h ASP 50 CO -0.05 0.25 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.37 1f55 h LEU 51 N -0.23 -0.47 -0.69 2.28 3.38 -0.30 2.14 115.31 121.43 1f55 h LEU 51 Ca 0.00 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1f55 h LEU 51 Cb 0.25 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1f55 h LEU 51 CO 0.00 -0.17 0.25 -0.03 0.09 0.00 0.00 178.44 178.58 1f55 h MET 52 N 0.01 1.05 -0.08 1.13 4.05 -1.39 -3.07 114.93 116.63 1f55 h MET 52 Ca 0.25 -0.21 -0.18 0.00 -0.28 0.00 0.00 59.70 59.28 1f55 h MET 52 Cb 0.38 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1f55 h MET 52 CO -0.53 0.89 -0.64 -0.97 0.23 0.00 0.00 176.91 175.90 1f55 h ASN 53 N 1.00 0.70 -1.19 1.39 -0.73 0.31 0.12 115.58 117.19 1f55 h ASN 53 Ca 0.23 -0.67 0.34 0.00 1.87 0.00 0.00 56.30 58.07 1f55 h ASN 53 Cb 0.26 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.59 1f55 h ASN 53 CO -0.01 1.27 1.14 -0.33 -0.37 0.00 0.00 177.43 179.13 1f55 h GLU 54 N 0.19 0.00 0.00 6.67 5.08 0.35 0.16 114.58 127.02 1f55 h GLU 54 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1f55 h GLU 54 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1f55 h GLU 54 CO 0.13 0.00 -1.00 1.51 -1.00 0.00 0.00 179.01 178.65 1f55 n ILE 55 N -3.53 0.00 -1.52 3.13 0.00 -1.19 -4.95 119.36 111.29 1f55 n ILE 55 Ca 0.26 -0.06 -0.23 0.00 0.00 0.00 0.00 62.75 62.72 1f55 n ILE 55 Cb 1.51 0.50 -0.15 0.00 0.00 0.00 0.00 39.64 41.51 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1f55 n ASP 56 N -1.51 0.25 -0.08 9.51 -0.08 0.54 -4.71 116.55 120.47 1f55 n ASP 56 Ca -0.00 -0.75 -0.06 0.00 -1.51 0.00 0.00 54.79 52.47 1f55 n ASP 56 Cb 0.03 -1.07 0.12 0.00 2.34 0.00 0.00 41.12 42.54 1f55 n ASP 56 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1f55 h VAL 57 N 7.45 1.26 0.09 5.18 -1.51 -1.88 -3.18 116.25 123.65 1f55 h VAL 57 Ca -0.02 -1.25 -0.32 0.00 -1.23 0.00 0.00 66.70 63.88 1f55 h VAL 57 Cb 1.13 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 31.42 1f55 h VAL 57 CO 1.34 0.42 -1.69 0.44 -1.23 0.00 0.00 177.57 176.85 1f55 h ASP 58 N 0.66 0.29 -1.14 4.19 3.32 -1.90 -3.49 116.42 118.35 1f55 h ASP 58 Ca 0.10 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1f55 h ASP 58 Cb 0.66 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1f55 h ASP 58 CO 0.05 1.44 0.00 0.61 -1.72 0.00 0.00 179.24 179.61 1f55 n GLY 59 N 1.72 0.61 1.53 2.75 0.00 -1.20 -5.01 105.19 105.59 1f55 n GLY 59 Ca -0.20 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 1f55 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f55 n ASN 60 N -0.57 3.85 -0.22 1.61 5.03 -1.26 -4.89 115.26 118.80 1f55 n ASN 60 Ca 0.00 -3.80 -0.03 0.00 0.87 0.00 0.00 54.58 51.62 1f55 n ASN 60 Cb 0.24 -0.55 -0.01 0.00 -1.02 0.00 0.00 39.78 38.44 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1f55 n HIS 61 N -0.95 0.00 -3.58 3.10 8.25 -1.26 -4.87 115.22 115.91 1f55 n HIS 61 Ca 0.38 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.79 1f55 n HIS 61 Cb 0.91 -1.96 -0.02 0.00 1.12 0.00 0.00 29.99 30.04 1f55 n HIS 61 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1f55 s GLN 62 N -2.03 0.69 0.07 -0.41 -2.07 -1.26 -3.61 119.66 111.04 1f55 s GLN 62 Ca 0.00 -0.29 0.02 0.00 -1.82 0.00 0.00 55.36 53.27 1f55 s GLN 62 Cb 0.00 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 1f55 s GLN 62 CO 0.00 -0.30 -0.08 0.96 -1.32 0.00 0.00 175.29 174.55 1f55 s ILE 63 N -2.87 0.66 0.00 3.63 -5.25 0.15 -4.73 121.20 112.78 1f55 s ILE 63 Ca 0.08 -1.49 0.00 0.00 -0.99 0.00 0.00 60.65 58.25 1f55 s ILE 63 Cb -0.00 -1.14 0.00 0.00 2.95 0.00 0.00 42.46 44.27 1f55 s ILE 63 CO -0.06 -0.60 0.00 -0.62 -1.79 0.00 0.00 174.94 171.88 1f55 n GLU 64 N 0.75 2.62 0.00 0.37 1.02 -1.26 0.22 120.64 124.36 1f55 n GLU 64 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1f55 n GLU 64 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1f55 n GLU 64 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1f55 n PHE 65 N -0.18 0.00 -0.24 -0.32 7.35 -1.25 -2.35 117.46 120.48 1f55 n PHE 65 Ca 0.00 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 56.92 1f55 n PHE 65 Cb 0.00 -0.37 0.42 0.00 0.35 0.00 0.00 39.48 39.88 1f55 n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1f55 n SER 66 N -1.61 0.24 -0.08 -2.13 2.88 -1.26 0.26 113.62 111.92 1f55 n SER 66 Ca 0.00 1.23 -0.10 0.00 -1.33 0.00 0.00 58.87 58.67 1f55 n SER 66 Cb 0.00 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 62.84 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f55 h GLU 67 N 0.00 0.37 -1.00 -1.46 5.08 -1.92 -0.60 114.58 115.06 1f55 h GLU 67 Ca 0.62 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 59.03 1f55 h GLU 67 Cb 1.62 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.72 1f55 h GLU 67 CO -0.58 0.38 0.63 0.35 -1.00 0.00 0.00 179.01 178.79 1f55 h PHE 68 N 0.28 1.14 0.02 4.33 3.57 0.40 -1.96 116.94 124.72 1f55 h PHE 68 Ca 0.09 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1f55 h PHE 68 Cb 0.13 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1f55 h PHE 68 CO -0.02 0.48 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.46 1f55 h LEU 69 N 1.02 -0.03 -0.86 0.59 -0.00 -0.70 0.21 115.31 115.54 1f55 h LEU 69 Ca 0.48 -0.26 0.20 0.00 -0.00 0.00 0.00 57.88 58.30 1f55 h LEU 69 Cb 0.43 0.01 -0.16 0.00 -0.00 0.00 0.00 40.66 40.93 1f55 h LEU 69 CO -0.25 0.25 -0.06 0.00 -0.00 0.00 0.00 178.44 178.38 1f55 h ALA 70 N 0.67 0.82 0.00 1.53 0.00 -0.36 0.65 119.26 122.57 1f55 h ALA 70 Ca -0.00 0.30 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1f55 h ALA 70 Cb 0.29 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1f55 h ALA 70 CO 0.01 -0.45 -0.57 1.25 0.00 0.00 0.00 179.25 179.49 1f55 h LEU 71 N 0.04 0.00 0.00 0.00 5.85 -1.35 -3.38 115.31 116.47 1f55 h LEU 71 Ca 0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1f55 h LEU 71 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1f55 h LEU 71 CO -0.81 0.50 0.00 0.80 -0.34 0.00 0.00 178.44 178.59 1f55 n MET 72 N -3.20 0.00 0.00 1.25 1.56 0.22 -4.88 117.12 112.07 1f55 n MET 72 Ca 0.01 0.05 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1f55 n MET 72 Cb 0.74 -0.85 0.00 0.00 2.15 0.00 0.00 33.22 35.26 1f55 n MET 72 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1f55 n SER 73 N -0.64 0.00 -4.32 6.12 7.64 -0.51 -4.38 113.62 117.54 1f55 n SER 73 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1f55 n SER 73 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1f55 n SER 73 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1f55 s ARG 74 N 0.00 3.32 0.03 1.43 0.52 -1.26 -5.12 118.95 117.87 1f55 s ARG 74 Ca 0.00 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1f55 s ARG 74 Cb 0.00 -2.72 0.01 0.00 0.52 0.00 0.00 34.95 32.76 1f55 s ARG 74 CO 0.00 0.04 0.04 1.04 0.02 0.00 0.00 175.30 176.44 1f55 n GLN 75 N 4.02 0.77 -3.61 3.54 6.02 -1.26 -5.09 117.38 121.77 1f55 n GLN 75 Ca -0.19 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.00 56.39 1f55 n GLN 75 Cb 0.52 -0.02 -0.14 0.00 1.02 0.00 0.00 30.24 31.62 1f55 n GLN 75 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1f55 s LEU 76 N 0.00 1.62 0.00 1.08 0.20 -1.26 -5.29 118.68 115.04 1f55 s LEU 76 Ca 0.03 -1.97 0.00 0.00 0.69 0.00 0.00 54.13 52.88 1f55 s LEU 76 Cb -0.00 -0.66 0.00 0.00 -0.43 0.00 0.00 46.19 45.10 1f55 s LEU 76 CO 0.02 -0.35 0.00 2.29 -0.29 0.00 0.00 176.35 178.01