#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrz n ASP 2 N 0.00 0.17 0.00 6.12 8.00 -1.26 -4.69 116.55 124.89 1rrz n ASP 2 Ca 0.00 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1rrz n ASP 2 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1rrz n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rrz n HIS 3 N -3.27 0.00 -0.07 1.24 1.44 -1.26 -4.14 115.22 109.16 1rrz n HIS 3 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 1rrz n HIS 3 Cb 0.04 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.10 1rrz n HIS 3 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1rrz h SER 4 N 0.00 0.00 0.14 4.39 4.64 -1.97 -3.32 113.55 117.42 1rrz h SER 4 Ca 0.00 -0.29 -0.36 0.00 -0.47 0.00 0.00 61.79 60.67 1rrz h SER 4 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1rrz h SER 4 CO 0.00 0.87 -2.18 0.18 -0.87 0.00 0.00 176.83 174.83 1rrz n LEU 5 N -4.63 1.59 -0.06 5.97 7.99 -1.26 -3.50 117.00 123.10 1rrz n LEU 5 Ca -0.10 0.10 -0.11 0.00 -0.01 0.00 0.00 56.01 55.88 1rrz n LEU 5 Cb 0.31 -0.31 -0.05 0.00 -0.11 0.00 0.00 43.42 43.25 1rrz n LEU 5 CO 0.13 0.67 0.81 -1.13 -1.51 0.00 0.00 177.39 176.36 1rrz h ASN 6 N 0.02 0.28 0.11 -1.43 -0.73 -1.81 -2.01 115.58 110.01 1rrz h ASN 6 Ca -0.47 -0.23 -0.12 0.00 1.87 0.00 0.00 56.30 57.35 1rrz h ASN 6 Cb 2.06 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 40.56 1rrz h ASN 6 CO 0.02 0.44 -0.40 -1.28 -0.37 0.00 0.00 177.43 175.84 1rrz h SER 7 N 0.11 0.40 0.07 1.15 0.87 -1.72 -2.54 113.55 111.89 1rrz h SER 7 Ca 0.06 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1rrz h SER 7 Cb 0.27 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1rrz h SER 7 CO 0.00 0.76 -0.04 0.25 -0.53 0.00 0.00 176.83 177.28 1rrz h LEU 8 N 0.32 -0.08 -0.50 2.23 7.12 -1.55 0.23 115.31 123.07 1rrz h LEU 8 Ca 0.03 -0.09 -0.03 0.00 0.13 0.00 0.00 57.88 57.92 1rrz h LEU 8 Cb 0.85 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 1rrz h LEU 8 CO 0.07 0.04 0.21 0.78 -0.13 0.00 0.00 178.44 179.41 1rrz h ASN 9 N -0.20 0.68 -0.24 1.25 4.21 -1.36 -1.91 115.58 118.00 1rrz h ASN 9 Ca -0.01 -0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.31 1rrz h ASN 9 Cb 0.17 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1rrz h ASN 9 CO 0.02 0.66 0.06 -1.13 -1.29 0.00 0.00 177.43 175.74 1rrz h ASN 10 N 0.66 0.37 -0.68 5.81 -1.24 -1.35 -2.89 115.58 116.27 1rrz h ASN 10 Ca 0.17 -0.24 0.04 0.00 0.71 0.00 0.00 56.30 56.99 1rrz h ASN 10 Cb 0.18 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.09 1rrz h ASN 10 CO -0.02 0.51 0.45 0.15 -1.29 0.00 0.00 177.43 177.24 1rrz h PHE 11 N 0.22 0.76 0.73 0.67 3.04 -0.39 0.52 116.94 122.48 1rrz h PHE 11 Ca 0.08 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 1rrz h PHE 11 Cb 0.29 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 38.55 1rrz h PHE 11 CO 0.01 0.43 -0.35 -0.44 -2.02 0.00 0.00 178.31 175.94 1rrz h ASP 12 N 0.78 -0.83 0.01 0.41 5.19 -1.14 0.77 116.42 121.60 1rrz h ASP 12 Ca 0.28 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.66 1rrz h ASP 12 Cb 0.14 0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1rrz h ASP 12 CO -0.08 -0.50 -0.15 2.19 -3.12 0.00 0.00 179.24 177.58 1rrz h PHE 13 N -1.17 0.30 0.00 4.55 -5.15 -1.46 -2.60 116.94 111.40 1rrz h PHE 13 Ca -0.10 -0.04 -0.17 0.00 -0.20 0.00 0.00 57.97 57.46 1rrz h PHE 13 Cb 0.75 -0.08 -0.02 0.00 0.22 0.00 0.00 35.95 36.82 1rrz h PHE 13 CO 0.02 0.42 -0.83 1.25 -2.00 0.00 0.00 178.31 177.17 1rrz h LEU 14 N 0.26 0.00 -0.41 2.10 7.12 -0.87 -3.15 115.31 120.36 1rrz h LEU 14 Ca 0.05 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.14 1rrz h LEU 14 Cb 0.42 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 40.46 1rrz h LEU 14 CO 0.03 0.80 -0.29 0.00 -0.13 0.00 0.00 178.44 178.84 1rrz h ALA 15 N 1.20 -0.10 0.00 1.25 0.00 0.98 2.21 119.26 124.80 1rrz h ALA 15 Ca -0.02 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1rrz h ALA 15 Cb 1.62 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 1rrz h ALA 15 CO 0.10 -0.68 -0.45 0.07 0.00 0.00 0.00 179.25 178.29 1rrz h ARG 16 N -0.22 0.00 0.07 0.00 -0.00 -1.67 -3.08 114.38 109.48 1rrz h ARG 16 Ca 0.18 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.92 1rrz h ARG 16 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.48 1rrz h ARG 16 CO -0.53 0.45 -1.10 0.77 -0.00 0.00 0.00 179.97 179.56 1rrz h SER 17 N 0.00 0.34 -0.25 0.08 0.02 -0.75 -3.15 113.55 109.85 1rrz h SER 17 Ca -0.00 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1rrz h SER 17 Cb 0.93 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.31 1rrz h SER 17 CO 0.06 1.22 -0.06 -0.26 -1.14 0.00 0.00 176.83 176.65 1rrz h PHE 18 N 0.09 -0.13 -0.62 3.45 0.04 0.36 0.57 116.94 120.70 1rrz h PHE 18 Ca -0.09 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 1rrz h PHE 18 Cb 1.80 0.10 -0.03 0.00 2.20 0.00 0.00 35.95 40.02 1rrz h PHE 18 CO 0.05 -0.11 0.13 0.00 -0.60 0.00 0.00 178.31 177.78 1rrz h ALA 19 N 1.25 1.06 -0.28 2.45 0.00 -1.65 -2.74 119.26 119.36 1rrz h ALA 19 Ca 0.12 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1rrz h ALA 19 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1rrz h ALA 19 CO -0.26 0.61 -0.45 -0.09 0.00 0.00 0.00 179.25 179.07 1rrz h ARG 20 N 0.94 0.72 0.00 0.00 1.12 -1.30 -2.81 114.38 113.04 1rrz h ARG 20 Ca 0.20 -0.40 -0.01 0.00 -1.11 0.00 0.00 59.98 58.66 1rrz h ARG 20 Cb 0.36 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.34 1rrz h ARG 20 CO 0.00 1.02 -0.04 0.52 -3.11 0.00 0.00 179.97 178.37 1rrz h MET 21 N 0.58 0.00 -0.70 0.20 2.86 0.40 -2.36 114.93 115.91 1rrz h MET 21 Ca 0.04 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1rrz h MET 21 Cb 1.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.61 1rrz h MET 21 CO 0.09 0.04 0.41 1.25 1.06 0.00 0.00 176.91 179.76 1rrz h HIS 22 N 0.00 0.76 0.00 -0.22 -0.00 -1.22 0.15 115.15 114.62 1rrz h HIS 22 Ca -0.00 0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.21 1rrz h HIS 22 Cb 0.15 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.29 1rrz h HIS 22 CO 0.00 0.38 -1.37 0.00 -0.00 0.00 0.00 177.93 176.94 1rrz h ALA 23 N 1.34 0.66 0.00 5.26 0.00 -1.62 -3.35 119.26 121.56 1rrz h ALA 23 Ca 0.30 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 1rrz h ALA 23 Cb 0.15 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rrz h ALA 23 CO -0.16 0.99 -0.53 0.93 0.00 0.00 0.00 179.25 180.48 1rrz h GLU 24 N 0.00 0.00 -1.65 0.00 4.39 -1.12 -3.47 114.58 112.73 1rrz h GLU 24 Ca -0.16 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1rrz h GLU 24 Cb 1.63 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.30 1rrz h GLU 24 CO 0.05 0.53 -0.15 0.41 -1.16 0.00 0.00 179.01 178.69 1rrz n GLY 25 N 0.52 0.44 3.78 -3.84 0.00 0.01 -5.05 105.19 101.06 1rrz n GLY 25 Ca -0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.94 2.87 0.11 1.61 3.00 -1.23 -4.78 118.95 115.61 1rrz s ARG 26 Ca 0.09 -0.80 -0.31 0.00 0.00 0.00 0.00 55.73 54.71 1rrz s ARG 26 Cb -0.04 -2.67 -0.08 0.00 0.00 0.00 0.00 34.95 32.16 1rrz s ARG 26 CO 0.11 0.52 1.38 -1.25 0.00 0.00 0.00 175.30 176.06 1rrz s PRO 27 N -2.80 4.33 -0.03 3.54 0.04 -1.26 -4.89 135.00 133.93 1rrz s PRO 27 Ca 0.30 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.43 1rrz s PRO 27 Cb -0.11 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1rrz s PRO 27 CO 0.23 -0.43 -0.11 0.08 0.04 0.00 0.00 177.00 176.81 1rrz s VAL 28 N 1.11 0.94 -1.05 -0.36 1.01 -1.26 -4.65 120.40 116.13 1rrz s VAL 28 Ca 0.64 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 1rrz s VAL 28 Cb -0.36 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1rrz s VAL 28 CO 0.30 0.28 1.66 -0.62 0.00 0.00 0.00 175.10 176.73 1rrz s ASP 29 N 0.10 6.09 0.42 3.32 2.15 -1.26 -4.76 116.67 122.74 1rrz s ASP 29 Ca -0.02 -1.45 0.18 0.00 0.43 0.00 0.00 52.55 51.69 1rrz s ASP 29 Cb -0.09 -2.57 0.95 0.00 -0.30 0.00 0.00 42.92 40.91 1rrz s ASP 29 CO 0.01 -1.89 1.90 0.40 -0.17 0.00 0.00 175.17 175.42 1rrz h ILE 30 N 6.65 1.01 -0.85 4.11 1.08 -1.97 -2.57 117.51 124.97 1rrz h ILE 30 Ca 0.22 -1.01 0.16 0.00 -0.39 0.00 0.00 64.86 63.83 1rrz h ILE 30 Cb 0.98 1.58 -0.10 0.00 -3.07 0.00 0.00 36.82 36.21 1rrz h ILE 30 CO 1.36 0.27 0.42 0.25 -0.69 0.00 0.00 178.15 179.76 1rrz h LEU 31 N 0.00 0.47 -1.09 1.44 7.12 -1.99 0.57 115.31 121.83 1rrz h LEU 31 Ca -0.00 0.10 0.11 0.00 0.13 0.00 0.00 57.88 58.22 1rrz h LEU 31 Cb 0.55 0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 40.65 1rrz h LEU 31 CO 0.04 0.17 0.61 0.00 -0.13 0.00 0.00 178.44 179.13 1rrz h ALA 32 N 1.59 1.58 0.00 1.25 0.00 -1.86 -0.03 119.26 121.78 1rrz h ALA 32 Ca 0.48 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.33 1rrz h ALA 32 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1rrz h ALA 32 CO -0.40 0.20 -0.34 0.28 0.00 0.00 0.00 179.25 179.00 1rrz h VAL 33 N 0.95 0.65 0.00 0.00 2.07 -0.05 -3.24 116.25 116.63 1rrz h VAL 33 Ca 0.46 -1.64 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 1rrz h VAL 33 Cb 0.46 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1rrz h VAL 33 CO -0.23 0.33 -0.84 0.71 0.02 0.00 0.00 177.57 177.56 1rrz h THR 34 N 0.00 0.87 -0.18 2.57 1.35 0.84 -1.83 112.91 116.53 1rrz h THR 34 Ca -0.00 -2.32 -0.08 0.00 -0.55 0.00 0.00 66.41 63.45 1rrz h THR 34 Cb 1.08 2.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.86 1rrz h THR 34 CO 0.04 0.50 -0.23 1.23 -0.25 0.00 0.00 175.52 176.81 1rrz h GLY 35 N 3.49 0.36 0.12 5.82 0.00 -1.28 -3.29 103.07 108.29 1rrz h GLY 35 Ca -0.05 -0.27 -0.39 0.00 0.00 0.00 0.00 47.33 46.62 1rrz h GLY 35 CO 0.07 0.25 -2.37 0.70 0.00 0.00 0.00 176.54 175.18 1rrz n ASN 36 N -4.16 2.01 -4.84 0.19 4.13 -1.24 -4.96 115.26 106.38 1rrz n ASN 36 Ca -0.01 -0.05 -0.32 0.00 1.68 0.00 0.00 54.58 55.89 1rrz n ASN 36 Cb 0.36 -0.52 -0.06 0.00 -1.54 0.00 0.00 39.78 38.02 1rrz n ASN 36 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1rrz s MET 37 N -2.53 3.19 0.20 3.52 -1.94 -0.69 -4.97 119.30 116.09 1rrz s MET 37 Ca -0.33 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 1rrz s MET 37 Cb 0.09 -2.92 0.00 0.00 2.01 0.00 0.00 34.83 34.00 1rrz s MET 37 CO 0.63 0.62 0.00 -0.25 -0.01 0.00 0.00 175.02 176.01 1rrz n ASP 38 N 0.73 -1.20 0.52 3.03 8.00 -1.26 -4.36 116.55 122.01 1rrz n ASP 38 Ca -0.09 0.38 -0.20 0.00 0.71 0.00 0.00 54.79 55.58 1rrz n ASP 38 Cb 0.52 1.30 -0.10 0.00 -0.02 0.00 0.00 41.12 42.82 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 -1.27 0.00 -1.24 3.07 -1.98 -1.18 114.58 111.98 1rrz h GLU 39 Ca 0.00 0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 1rrz h GLU 39 Cb 0.00 0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1rrz h GLU 39 CO 0.00 -0.84 -0.36 0.93 -1.40 0.00 0.00 179.01 177.34 1rrz h GLU 40 N -1.33 0.00 0.00 2.33 5.08 -1.99 -3.03 114.58 115.64 1rrz h GLU 40 Ca -0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1rrz h GLU 40 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1rrz h GLU 40 CO 0.22 0.36 -0.03 1.25 -1.00 0.00 0.00 179.01 179.80 1rrz h HIS 41 N 0.00 0.00 0.35 4.33 2.76 -1.76 -3.00 115.15 117.83 1rrz h HIS 41 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1rrz h HIS 41 Cb 1.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1rrz h HIS 41 CO 0.00 0.03 -0.28 0.00 -1.30 0.00 0.00 177.93 176.38 1rrz h ARG 42 N 0.00 -0.61 -0.02 5.26 3.08 -1.09 0.25 114.38 121.25 1rrz h ARG 42 Ca -0.00 0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 1rrz h ARG 42 Cb 0.32 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1rrz h ARG 42 CO 0.00 -0.41 -0.68 0.00 -1.07 0.00 0.00 179.97 177.82 1rrz h THR 43 N -0.63 1.45 0.08 2.04 1.03 -1.77 -2.54 112.91 112.57 1rrz h THR 43 Ca -0.03 -2.25 -0.00 0.00 -0.01 0.00 0.00 66.41 64.12 1rrz h THR 43 Cb 0.55 2.20 0.00 0.00 -1.07 0.00 0.00 68.15 69.83 1rrz h THR 43 CO -0.01 0.65 -0.04 -0.25 -0.01 0.00 0.00 175.52 175.86 1rrz h TRP 44 N 0.07 -0.10 0.00 0.00 2.91 -1.35 -2.75 115.95 114.73 1rrz h TRP 44 Ca -0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1rrz h TRP 44 Cb 1.21 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.89 1rrz h TRP 44 CO 0.01 0.16 0.00 0.35 -1.03 0.00 0.00 178.44 177.93 1rrz h PHE 45 N -0.37 0.00 0.35 2.65 3.04 -0.54 -1.39 116.94 120.68 1rrz h PHE 45 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1rrz h PHE 45 Cb 0.31 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 1rrz h PHE 45 CO 0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 178.31 175.98 1rrz h ALA 47 N -0.16 0.92 0.00 0.00 0.00 -1.55 -3.06 119.26 115.40 1rrz h ALA 47 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rrz h ALA 47 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rrz h ALA 47 CO -0.04 0.26 -0.49 0.54 0.00 0.00 0.00 179.25 179.52 1rrz n ARG 48 N -3.22 0.15 0.04 0.00 3.00 -0.53 -2.86 116.66 113.24 1rrz n ARG 48 Ca 0.02 0.05 -0.10 0.00 -0.01 0.00 0.00 57.85 57.81 1rrz n ARG 48 Cb 0.52 -1.60 -0.07 0.00 0.00 0.00 0.00 32.46 31.31 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 -0.19 0.09 -1.55 0.05 0.33 -2.48 116.97 113.22 1rrz h TYR 49 Ca 0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1rrz h TYR 49 Cb 0.63 0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1rrz h TYR 49 CO 0.00 0.22 -0.04 0.00 -1.05 0.00 0.00 178.16 177.28 1rrz h ALA 50 N -0.44 -0.12 -0.20 3.88 0.00 -1.70 -2.21 119.26 118.45 1rrz h ALA 50 Ca -0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1rrz h ALA 50 Cb 0.50 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1rrz h ALA 50 CO 0.03 -0.42 -0.33 2.35 0.00 0.00 0.00 179.25 180.88 1rrz h TRP 51 N -0.42 -0.93 -0.26 0.00 7.01 -1.66 0.19 115.95 119.89 1rrz h TRP 51 Ca -0.01 0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.11 1rrz h TRP 51 Cb 0.35 0.44 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1rrz h TRP 51 CO 0.02 -0.40 0.20 -0.92 -2.79 0.00 0.00 178.44 174.55 1rrz h TYR 52 N -0.37 0.00 0.08 2.65 3.20 -1.44 -1.00 116.97 120.09 1rrz h TYR 52 Ca 0.11 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1rrz h TYR 52 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1rrz h TYR 52 CO -0.45 0.00 -0.04 0.00 -1.64 0.00 0.00 178.16 176.03 1rrz h GLN 54 N -0.14 0.73 -0.34 0.00 3.07 -1.19 -2.16 115.11 115.08 1rrz h GLN 54 Ca -0.01 -0.04 -0.13 0.00 0.09 0.00 0.00 58.65 58.55 1rrz h GLN 54 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.47 1rrz h GLN 54 CO 0.02 0.48 -0.31 -0.56 0.09 0.00 0.00 178.83 178.55 1rrz h GLN 55 N 0.75 0.75 -0.36 0.06 -0.00 -1.26 -2.99 115.11 112.06 1rrz h GLN 55 Ca 0.43 -0.34 -0.08 0.00 -0.00 0.00 0.00 58.65 58.66 1rrz h GLN 55 Cb 0.48 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.94 1rrz h GLN 55 CO -0.29 0.96 -0.11 0.52 -0.00 0.00 0.00 178.83 179.90 1rrz h MET 56 N 0.63 0.62 -0.71 0.06 2.86 -0.69 0.14 114.93 117.84 1rrz h MET 56 Ca 0.07 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1rrz h MET 56 Cb 0.84 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 1rrz h MET 56 CO 0.07 0.72 0.47 0.52 1.06 0.00 0.00 176.91 179.75 1rrz h MET 57 N 0.57 0.85 -0.02 1.72 2.86 -1.26 0.32 114.93 119.97 1rrz h MET 57 Ca 0.10 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1rrz h MET 57 Cb 0.53 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1rrz h MET 57 CO 0.03 0.56 -0.29 1.04 1.06 0.00 0.00 176.91 179.31 1rrz n GLN 58 N -4.45 1.33 -0.08 1.72 3.00 -1.00 -4.51 117.38 113.39 1rrz n GLN 58 Ca 0.09 -1.00 -0.10 0.00 -0.01 0.00 0.00 57.00 55.98 1rrz n GLN 58 Cb 0.11 -1.48 -0.03 0.00 0.00 0.00 0.00 30.24 28.84 1rrz n GLN 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rrz n ALA 59 N 0.04 1.19 -4.24 -1.58 0.00 0.00 -4.99 120.51 110.94 1rrz n ALA 59 Ca 0.12 -0.74 -0.32 0.00 0.00 0.00 0.00 53.44 52.50 1rrz n ALA 59 Cb 0.44 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 1rrz n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rrz n ARG 60 N -4.31 -0.84 -3.51 0.00 0.63 0.10 -4.90 116.66 103.84 1rrz n ARG 60 Ca -0.16 0.08 -0.09 0.00 -0.92 0.00 0.00 57.85 56.76 1rrz n ARG 60 Cb 0.49 -3.30 -0.02 0.00 0.45 0.00 0.00 32.46 30.08 1rrz n ARG 60 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1rrz s GLU 61 N -7.28 1.02 0.45 -0.14 -1.05 -1.26 -5.04 118.70 105.40 1rrz s GLU 61 Ca 0.07 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 1rrz s GLU 61 Cb -0.04 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1rrz s GLU 61 CO 0.96 -0.45 0.00 -0.11 0.95 0.00 0.00 175.26 176.62 1rrz n LEU 62 N -0.31 0.00 -4.45 1.83 0.00 -1.26 -4.52 117.00 108.29 1rrz n LEU 62 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.52 1rrz n LEU 62 Cb 0.63 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.93 1rrz n LEU 62 CO 0.11 0.00 -0.24 -0.70 0.00 0.00 0.00 177.39 176.57 1rrz s GLU 63 N 0.00 3.48 -0.07 1.96 -6.30 -1.26 -5.08 118.70 111.44 1rrz s GLU 63 Ca 0.00 -0.61 0.02 0.00 -2.50 0.00 0.00 54.97 51.88 1rrz s GLU 63 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 34.13 30.67 1rrz s GLU 63 CO 0.00 -0.32 -0.12 -1.17 0.02 0.00 0.00 175.26 173.67 1rrz s LEU 64 N 1.62 1.64 -0.31 2.70 0.20 -1.26 -4.71 118.68 118.56 1rrz s LEU 64 Ca 0.05 -0.30 0.01 0.00 0.69 0.00 0.00 54.13 54.58 1rrz s LEU 64 Cb -0.16 -0.83 0.10 0.00 -0.43 0.00 0.00 46.19 44.87 1rrz s LEU 64 CO 0.05 0.03 0.08 -1.61 -0.29 0.00 0.00 176.35 174.61 1rrz s GLU 65 N 0.67 0.96 0.00 1.98 2.02 -1.26 -5.13 118.70 117.94 1rrz s GLU 65 Ca -0.15 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.58 1rrz s GLU 65 Cb -0.16 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1rrz s GLU 65 CO 0.04 -0.95 0.00 1.58 0.02 0.00 0.00 175.26 175.95