#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrz s ASP 2 N 0.00 2.84 0.35 7.83 2.15 -1.26 -5.03 116.67 123.56 1rrz s ASP 2 Ca 0.00 -0.63 0.13 0.00 0.43 0.00 0.00 52.55 52.48 1rrz s ASP 2 Cb 0.00 -0.21 0.65 0.00 -0.30 0.00 0.00 42.92 43.06 1rrz s ASP 2 CO 0.00 0.17 1.78 0.45 -0.17 0.00 0.00 175.17 177.39 1rrz h HIS 3 N 4.45 0.00 -0.69 -5.34 3.86 -2.06 -3.00 115.15 112.38 1rrz h HIS 3 Ca -0.46 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.72 1rrz h HIS 3 Cb 1.16 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.60 1rrz h HIS 3 CO 0.54 0.43 0.32 0.66 0.86 0.00 0.00 177.93 180.74 1rrz h SER 4 N 0.00 0.90 -0.17 2.45 4.64 -1.99 -1.79 113.55 117.59 1rrz h SER 4 Ca -0.00 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 1rrz h SER 4 Cb 0.77 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1rrz h SER 4 CO 0.06 0.77 -0.57 -0.07 -0.87 0.00 0.00 176.83 176.15 1rrz h LEU 5 N 0.99 0.79 -0.39 5.97 -0.00 -1.96 -2.18 115.31 118.53 1rrz h LEU 5 Ca 0.24 -0.60 -0.02 0.00 -0.00 0.00 0.00 57.88 57.50 1rrz h LEU 5 Cb 0.12 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 1rrz h LEU 5 CO -0.03 1.25 0.15 0.78 -0.00 0.00 0.00 178.44 180.60 1rrz h ASN 6 N 0.36 0.54 -0.48 -0.43 2.35 -1.45 -0.22 115.58 116.26 1rrz h ASN 6 Ca -0.02 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.46 1rrz h ASN 6 Cb 1.19 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1rrz h ASN 6 CO 0.12 0.57 -0.04 -1.28 -1.65 0.00 0.00 177.43 175.15 1rrz h SER 7 N 0.49 0.90 -0.11 5.81 0.87 -1.38 -1.67 113.55 118.46 1rrz h SER 7 Ca 0.13 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1rrz h SER 7 Cb 0.20 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1rrz h SER 7 CO -0.01 0.98 -0.02 0.25 -0.53 0.00 0.00 176.83 177.51 1rrz h LEU 8 N 0.84 0.20 -0.55 2.23 6.46 -1.16 0.02 115.31 123.35 1rrz h LEU 8 Ca 0.15 -0.35 -0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1rrz h LEU 8 Cb 0.55 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1rrz h LEU 8 CO 0.03 0.50 0.34 -1.13 -0.62 0.00 0.00 178.44 177.57 1rrz h ASN 9 N -0.11 0.65 -0.27 1.25 -0.73 -0.98 -2.04 115.58 113.35 1rrz h ASN 9 Ca 0.03 -0.04 -0.05 0.00 1.87 0.00 0.00 56.30 58.10 1rrz h ASN 9 Cb 0.41 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 1rrz h ASN 9 CO 0.01 0.50 -0.04 -1.13 -0.37 0.00 0.00 177.43 176.40 1rrz h ASN 10 N 0.74 0.49 -0.89 1.15 -1.24 -1.27 -2.95 115.58 111.61 1rrz h ASN 10 Ca 0.20 -0.34 0.09 0.00 0.71 0.00 0.00 56.30 56.95 1rrz h ASN 10 Cb -0.04 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 38.82 1rrz h ASN 10 CO -0.04 0.72 0.57 0.15 -1.29 0.00 0.00 177.43 177.54 1rrz h PHE 11 N 0.26 0.97 0.51 0.67 3.04 -0.76 0.85 116.94 122.48 1rrz h PHE 11 Ca 0.07 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1rrz h PHE 11 Cb 0.49 -0.31 0.01 0.00 2.56 0.00 0.00 35.95 38.69 1rrz h PHE 11 CO 0.04 0.47 -0.25 0.22 -2.02 0.00 0.00 178.31 176.77 1rrz h ASP 12 N 0.92 -0.58 -0.63 0.41 3.58 -1.27 0.38 116.42 119.23 1rrz h ASP 12 Ca 0.40 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 1rrz h ASP 12 Cb 0.34 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 1rrz h ASP 12 CO -0.16 -0.26 0.37 2.19 -2.88 0.00 0.00 179.24 178.50 1rrz h PHE 13 N -0.99 0.84 0.00 0.28 -5.15 -1.47 -2.13 116.94 108.32 1rrz h PHE 13 Ca -0.07 -0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.58 1rrz h PHE 13 Cb 0.53 -0.28 -0.02 0.00 0.22 0.00 0.00 35.95 36.40 1rrz h PHE 13 CO 0.03 0.57 -0.55 1.25 -2.00 0.00 0.00 178.31 177.60 1rrz h LEU 14 N 0.88 0.00 -0.33 2.10 7.12 -0.88 -3.19 115.31 121.00 1rrz h LEU 14 Ca 0.23 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.31 1rrz h LEU 14 Cb -0.02 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.03 1rrz h LEU 14 CO -0.04 0.55 -0.32 0.00 -0.13 0.00 0.00 178.44 178.50 1rrz h ALA 15 N 1.45 -0.21 -0.13 1.25 0.00 0.49 2.00 119.26 124.10 1rrz h ALA 15 Ca -0.01 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1rrz h ALA 15 Cb 1.40 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1rrz h ALA 15 CO 0.07 -0.73 -0.55 0.07 0.00 0.00 0.00 179.25 178.11 1rrz h ARG 16 N -0.28 0.38 -0.04 0.00 -0.00 -1.67 -3.08 114.38 109.69 1rrz h ARG 16 Ca 0.15 -0.24 -0.16 0.00 -0.00 0.00 0.00 59.98 59.74 1rrz h ARG 16 Cb 0.53 0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.52 1rrz h ARG 16 CO -0.49 0.83 -0.67 1.03 -0.00 0.00 0.00 179.97 180.67 1rrz h SER 17 N 0.30 0.21 0.04 0.08 0.87 -1.17 -3.01 113.55 110.86 1rrz h SER 17 Ca 0.01 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1rrz h SER 17 Cb 1.05 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 1rrz h SER 17 CO 0.09 0.82 -0.15 -0.26 -0.53 0.00 0.00 176.83 176.81 1rrz h PHE 18 N 0.13 -0.39 -0.72 2.24 0.04 0.32 0.39 116.94 118.95 1rrz h PHE 18 Ca -0.01 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1rrz h PHE 18 Cb 1.21 0.17 -0.03 0.00 2.20 0.00 0.00 35.95 39.49 1rrz h PHE 18 CO 0.02 -0.23 0.35 0.00 -0.60 0.00 0.00 178.31 177.85 1rrz h ALA 19 N 0.64 1.26 -0.30 2.45 0.00 -1.59 -2.31 119.26 119.40 1rrz h ALA 19 Ca 0.04 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1rrz h ALA 19 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rrz h ALA 19 CO -0.12 0.57 -0.41 -0.09 0.00 0.00 0.00 179.25 179.20 1rrz h ARG 20 N 1.02 0.74 0.00 0.00 1.12 -1.28 -2.76 114.38 113.22 1rrz h ARG 20 Ca 0.25 -0.39 -0.02 0.00 -1.11 0.00 0.00 59.98 58.71 1rrz h ARG 20 Cb 0.10 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1rrz h ARG 20 CO -0.03 1.01 -0.08 0.52 -3.11 0.00 0.00 179.97 178.28 1rrz h MET 21 N 0.60 0.00 -0.79 0.20 2.86 0.21 -2.74 114.93 115.26 1rrz h MET 21 Ca 0.05 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1rrz h MET 21 Cb 0.96 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.57 1rrz h MET 21 CO 0.09 0.08 0.49 1.25 1.06 0.00 0.00 176.91 179.88 1rrz h HIS 22 N 0.00 0.90 0.00 -0.22 2.76 -1.12 0.28 115.15 117.76 1rrz h HIS 22 Ca -0.00 0.03 -0.21 0.00 -2.20 0.00 0.00 60.37 57.98 1rrz h HIS 22 Cb 0.32 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 1rrz h HIS 22 CO 0.00 0.47 -1.30 0.00 -1.30 0.00 0.00 177.93 175.80 1rrz h ALA 23 N 1.37 0.63 0.00 5.26 0.00 -1.64 -3.33 119.26 121.55 1rrz h ALA 23 Ca 0.34 -1.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.11 1rrz h ALA 23 Cb 0.13 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1rrz h ALA 23 CO -0.16 1.19 -0.53 0.93 0.00 0.00 0.00 179.25 180.68 1rrz h GLU 24 N 0.00 0.00 -2.15 0.00 5.08 -1.19 -3.47 114.58 112.85 1rrz h GLU 24 Ca -0.15 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1rrz h GLU 24 Cb 1.75 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.03 1rrz h GLU 24 CO 0.08 0.53 -0.16 0.41 -1.00 0.00 0.00 179.01 178.88 1rrz n GLY 25 N 0.56 0.60 3.76 -3.84 0.00 0.06 -5.05 105.19 101.27 1rrz n GLY 25 Ca -0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1rrz n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrz s ARG 26 N -5.25 2.71 0.08 1.61 0.52 -1.22 -4.84 118.95 112.57 1rrz s ARG 26 Ca 0.13 -1.14 -0.31 0.00 -0.52 0.00 0.00 55.73 53.89 1rrz s ARG 26 Cb -0.06 -2.45 -0.07 0.00 0.52 0.00 0.00 34.95 32.90 1rrz s ARG 26 CO 0.17 0.40 1.37 -1.25 0.02 0.00 0.00 175.30 176.01 1rrz s PRO 27 N -3.64 4.33 -0.04 3.54 0.04 -1.26 -4.82 135.00 133.14 1rrz s PRO 27 Ca 0.32 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.39 1rrz s PRO 27 Cb -0.08 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.15 1rrz s PRO 27 CO 0.23 -0.45 -0.05 0.08 0.04 0.00 0.00 177.00 176.85 1rrz s VAL 28 N 1.40 0.56 -1.02 -0.36 1.01 -1.26 -5.07 120.40 115.65 1rrz s VAL 28 Ca 0.64 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 1rrz s VAL 28 Cb -0.35 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1rrz s VAL 28 CO 0.29 0.22 1.88 -0.62 0.00 0.00 0.00 175.10 176.88 1rrz s ASP 29 N 0.77 5.33 0.32 3.32 -1.08 -1.26 -4.73 116.67 119.35 1rrz s ASP 29 Ca -0.11 -1.16 0.08 0.00 -0.52 0.00 0.00 52.55 50.85 1rrz s ASP 29 Cb -0.13 -2.57 0.56 0.00 -1.46 0.00 0.00 42.92 39.31 1rrz s ASP 29 CO 0.00 -2.65 1.76 0.40 0.52 0.00 0.00 175.17 175.21 1rrz h ILE 30 N 6.79 1.28 -0.91 4.11 1.08 -1.98 -2.59 117.51 125.29 1rrz h ILE 30 Ca 0.16 -1.37 0.17 0.00 -0.39 0.00 0.00 64.86 63.43 1rrz h ILE 30 Cb 0.98 1.62 -0.10 0.00 -3.07 0.00 0.00 36.82 36.25 1rrz h ILE 30 CO 1.25 0.41 0.50 0.25 -0.69 0.00 0.00 178.15 179.86 1rrz h LEU 31 N 0.16 0.61 -1.24 1.44 7.12 -1.98 0.65 115.31 122.07 1rrz h LEU 31 Ca 0.02 0.10 0.13 0.00 0.13 0.00 0.00 57.88 58.26 1rrz h LEU 31 Cb 0.72 -0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.78 1rrz h LEU 31 CO 0.05 0.23 0.58 0.00 -0.13 0.00 0.00 178.44 179.17 1rrz h ALA 32 N 1.60 1.77 0.00 1.25 0.00 -1.86 0.46 119.26 122.48 1rrz h ALA 32 Ca 0.51 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.38 1rrz h ALA 32 Cb 0.77 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1rrz h ALA 32 CO -0.38 -0.00 -0.34 0.28 0.00 0.00 0.00 179.25 178.81 1rrz h VAL 33 N 0.75 0.45 -0.00 0.00 2.07 0.12 -3.25 116.25 116.39 1rrz h VAL 33 Ca 0.45 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1rrz h VAL 33 Cb 0.65 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1rrz h VAL 33 CO -0.21 0.26 -0.10 0.35 0.02 0.00 0.00 177.57 177.89 1rrz n THR 34 N -3.14 0.00 0.07 2.57 -2.24 0.11 -2.87 114.28 108.78 1rrz n THR 34 Ca 0.02 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1rrz n THR 34 Cb 0.64 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1rrz n THR 34 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rrz h GLY 35 N 4.97 -0.23 1.21 3.38 0.00 -1.48 -3.39 103.07 107.53 1rrz h GLY 35 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 47.33 47.13 1rrz h GLY 35 CO 0.00 -0.08 -1.55 3.45 0.00 0.00 0.00 176.54 178.35 1rrz h ASN 36 N -0.51 0.10 -3.32 0.19 -1.07 -1.78 -3.45 115.58 105.74 1rrz h ASN 36 Ca -0.02 -0.17 -0.58 0.00 0.07 0.00 0.00 56.30 55.60 1rrz h ASN 36 Cb 0.17 -0.03 -0.08 0.00 -2.07 0.00 0.00 38.32 36.31 1rrz h ASN 36 CO 0.04 1.15 -0.14 -0.32 0.07 0.00 0.00 177.43 178.23 1rrz s MET 37 N -2.62 4.33 0.04 4.14 1.75 -1.14 -4.88 119.30 120.92 1rrz s MET 37 Ca -0.06 0.46 0.00 0.00 -1.25 0.00 0.00 55.69 54.84 1rrz s MET 37 Cb 0.08 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 34.32 1rrz s MET 37 CO 0.82 0.17 0.00 -0.25 -0.65 0.00 0.00 175.02 175.12 1rrz n ASP 38 N 3.62 -0.15 0.21 1.11 8.00 -1.26 -4.32 116.55 123.76 1rrz n ASP 38 Ca -0.07 0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1rrz n ASP 38 Cb 0.52 0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.82 1rrz n ASP 38 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1rrz h GLU 39 N 0.00 -0.72 0.00 -1.24 3.07 -2.00 -1.09 114.58 112.60 1rrz h GLU 39 Ca 0.00 0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 1rrz h GLU 39 Cb 0.00 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1rrz h GLU 39 CO 0.00 -0.48 -0.28 1.49 -1.40 0.00 0.00 179.01 178.34 1rrz h GLU 40 N -0.75 0.00 0.00 2.33 4.22 -1.99 -3.00 114.58 115.39 1rrz h GLU 40 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1rrz h GLU 40 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1rrz h GLU 40 CO -0.06 0.28 -0.00 1.25 -2.18 0.00 0.00 179.01 178.30 1rrz h HIS 41 N 0.00 0.00 0.63 0.92 2.76 -1.69 -2.92 115.15 114.85 1rrz h HIS 41 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1rrz h HIS 41 Cb 0.92 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 1rrz h HIS 41 CO 0.00 0.00 -0.43 0.00 -1.30 0.00 0.00 177.93 176.20 1rrz h ARG 42 N 0.00 -0.98 -0.09 5.26 2.47 -1.07 0.14 114.38 120.12 1rrz h ARG 42 Ca -0.00 0.07 -0.16 0.00 -1.26 0.00 0.00 59.98 58.63 1rrz h ARG 42 Cb 0.22 0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 1rrz h ARG 42 CO 0.00 -0.65 -0.64 0.00 0.56 0.00 0.00 179.97 179.24 1rrz h THR 43 N -1.02 1.38 0.28 2.04 1.03 -1.78 -2.71 112.91 112.13 1rrz h THR 43 Ca -0.08 -2.02 -0.01 0.00 -0.01 0.00 0.00 66.41 64.29 1rrz h THR 43 Cb 0.84 2.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.93 1rrz h THR 43 CO 0.05 0.60 -0.14 -0.25 -0.01 0.00 0.00 175.52 175.78 1rrz h TRP 44 N 0.24 -0.35 0.00 0.00 2.91 -1.35 -2.42 115.95 114.97 1rrz h TRP 44 Ca -0.01 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.00 1rrz h TRP 44 Cb 1.17 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1rrz h TRP 44 CO 0.03 -0.19 -0.02 0.35 -1.03 0.00 0.00 178.44 177.58 1rrz h PHE 45 N -0.42 0.00 0.33 2.65 3.04 -0.76 -1.97 116.94 119.80 1rrz h PHE 45 Ca -0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1rrz h PHE 45 Cb 0.32 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 1rrz h PHE 45 CO -0.05 0.02 -0.37 0.00 -2.02 0.00 0.00 178.31 175.89 1rrz h ALA 47 N -0.28 0.89 0.00 0.00 0.00 -1.55 -3.01 119.26 115.31 1rrz h ALA 47 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1rrz h ALA 47 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1rrz h ALA 47 CO -0.09 0.45 -0.40 0.54 0.00 0.00 0.00 179.25 179.75 1rrz n ARG 48 N -3.37 0.10 0.08 0.00 3.00 -0.75 -2.87 116.66 112.85 1rrz n ARG 48 Ca 0.01 0.04 -0.10 0.00 -0.01 0.00 0.00 57.85 57.78 1rrz n ARG 48 Cb 0.56 -1.57 -0.07 0.00 0.00 0.00 0.00 32.46 31.38 1rrz n ARG 48 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1rrz h TYR 49 N 0.00 -0.26 -0.33 -1.55 0.05 0.35 -1.42 116.97 113.81 1rrz h TYR 49 Ca 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1rrz h TYR 49 Cb 0.58 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1rrz h TYR 49 CO 0.00 0.11 0.09 0.00 -1.05 0.00 0.00 178.16 177.31 1rrz h ALA 50 N -0.49 0.43 0.28 3.88 0.00 -1.69 0.73 119.26 122.38 1rrz h ALA 50 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rrz h ALA 50 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1rrz h ALA 50 CO 0.05 0.08 -0.33 2.35 0.00 0.00 0.00 179.25 181.39 1rrz h TRP 51 N 0.37 -0.90 -0.59 0.00 7.01 -1.62 -0.56 115.95 119.66 1rrz h TRP 51 Ca 0.10 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.13 1rrz h TRP 51 Cb 0.27 0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 27.66 1rrz h TRP 51 CO 0.01 -0.46 0.39 -0.92 -2.79 0.00 0.00 178.44 174.67 1rrz h TYR 52 N -0.66 0.73 -0.38 2.65 3.20 -1.18 -0.69 116.97 120.65 1rrz h TYR 52 Ca -0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1rrz h TYR 52 Cb 0.62 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1rrz h TYR 52 CO -0.22 0.45 0.19 0.00 -1.64 0.00 0.00 178.16 176.94 1rrz h GLN 54 N 0.48 0.16 0.18 0.00 -0.00 -0.76 -2.98 115.11 112.18 1rrz h GLN 54 Ca 0.13 -0.27 -0.31 0.00 -0.00 0.00 0.00 58.65 58.20 1rrz h GLN 54 Cb 0.09 0.10 0.03 0.00 -0.00 0.00 0.00 27.48 27.69 1rrz h GLN 54 CO -0.02 1.13 -1.34 -0.56 -0.00 0.00 0.00 178.83 178.03 1rrz h GLN 55 N 0.04 0.52 -0.12 0.06 -0.00 -1.10 -3.11 115.11 111.41 1rrz h GLN 55 Ca -0.08 -0.80 -0.22 0.00 -0.00 0.00 0.00 58.65 57.55 1rrz h GLN 55 Cb 1.88 0.28 0.01 0.00 -0.00 0.00 0.00 27.48 29.65 1rrz h GLN 55 CO 0.17 1.37 -0.80 1.98 -0.00 0.00 0.00 178.83 181.56 1rrz h MET 56 N 0.18 0.71 -0.13 0.06 4.05 -1.12 -1.58 114.93 117.10 1rrz h MET 56 Ca -0.21 -0.59 -0.04 0.00 -0.28 0.00 0.00 59.70 58.58 1rrz h MET 56 Cb 2.03 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.95 1rrz h MET 56 CO 0.25 1.20 -0.08 0.00 0.23 0.00 0.00 176.91 178.51 1rrz h MET 57 N 0.47 0.20 0.00 0.39 -0.00 -1.64 -0.25 114.93 114.10 1rrz h MET 57 Ca -0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1rrz h MET 57 Cb 1.42 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.99 1rrz h MET 57 CO 0.16 0.29 -0.42 0.94 -0.00 0.00 0.00 176.91 177.89 1rrz n GLN 58 N -4.33 0.00 -0.01 -0.10 7.27 -1.17 -3.94 117.38 115.09 1rrz n GLN 58 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.88 1rrz n GLN 58 Cb 0.22 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.23 1rrz n GLN 58 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1rrz n ALA 59 N -1.51 1.08 -2.60 1.69 0.00 -0.50 -4.79 120.51 113.89 1rrz n ALA 59 Ca 0.06 -0.69 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 1rrz n ALA 59 Cb 0.34 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1rrz n ALA 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1rrz s ARG 60 N -2.56 3.69 0.00 0.00 3.52 -0.22 -4.81 118.95 118.57 1rrz s ARG 60 Ca -0.19 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1rrz s ARG 60 Cb 0.07 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.54 1rrz s ARG 60 CO 0.77 -1.39 0.00 0.39 -0.81 0.00 0.00 175.30 174.26 1rrz n GLU 61 N 7.84 0.00 -3.51 5.12 4.71 -1.26 -4.93 120.64 128.60 1rrz n GLU 61 Ca 0.11 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.88 1rrz n GLU 61 Cb 0.49 -0.46 -0.10 0.00 -1.01 0.00 0.00 31.44 30.36 1rrz n GLU 61 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1rrz s LEU 62 N -5.89 4.06 0.00 -4.62 1.98 -1.26 -4.98 118.68 107.97 1rrz s LEU 62 Ca 0.00 0.18 0.00 0.00 -2.89 0.00 0.00 54.13 51.42 1rrz s LEU 62 Cb 0.00 -2.27 0.00 0.00 0.66 0.00 0.00 46.19 44.58 1rrz s LEU 62 CO 0.00 -0.08 0.00 -0.62 -1.89 0.00 0.00 176.35 173.76 1rrz n GLU 63 N 4.93 0.00 -3.29 1.98 -0.58 -1.26 -4.67 120.64 117.74 1rrz n GLU 63 Ca -0.12 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.24 1rrz n GLU 63 Cb 0.51 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.33 1rrz n GLU 63 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1rrz s LEU 64 N 0.00 4.43 -0.23 -4.62 0.20 -1.26 -5.01 118.68 112.18 1rrz s LEU 64 Ca 0.00 1.09 -0.00 0.00 0.69 0.00 0.00 54.13 55.91 1rrz s LEU 64 Cb 0.00 -2.82 0.06 0.00 -0.43 0.00 0.00 46.19 43.00 1rrz s LEU 64 CO 0.00 0.16 -0.01 -1.61 -0.29 0.00 0.00 176.35 174.60 1rrz s GLU 65 N -0.42 1.28 0.00 1.98 2.02 -1.26 -5.08 118.70 117.22 1rrz s GLU 65 Ca 0.28 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1rrz s GLU 65 Cb -0.18 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1rrz s GLU 65 CO 0.16 -0.65 0.00 1.58 0.02 0.00 0.00 175.26 176.37