#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 1.29 0.37 6.12 2.15 -1.26 -4.99 116.67 120.35 1rrz s ASP 2 Ca 0.00 -0.36 0.20 0.00 0.43 0.00 0.00 52.55 52.81 1rrz s ASP 2 Cb 0.00 -0.08 0.55 0.00 -0.30 0.00 0.00 42.92 43.09 1rrz s ASP 2 CO 0.00 0.02 1.67 1.12 -0.17 0.00 0.00 175.17 177.81 1rrz h HIS 3 N 5.23 0.00 0.00 -5.34 2.07 -1.97 -0.08 115.15 115.06 1rrz h HIS 3 Ca -0.35 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.11 1rrz h HIS 3 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 1rrz h HIS 3 CO 0.50 0.35 -1.99 0.45 -3.07 0.00 0.00 177.93 174.17 1rrz n SER 4 N -3.36 0.07 -0.13 3.10 2.88 -1.26 -1.28 113.62 113.63 1rrz n SER 4 Ca 0.01 0.03 -0.26 0.00 -1.33 0.00 0.00 58.87 57.32 1rrz n SER 4 Cb 0.56 1.73 -0.10 0.00 -0.75 0.00 0.00 64.21 65.64 1rrz n SER 4 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1rrz n LEU 5 N -2.37 2.19 -0.11 2.46 7.99 -1.23 -4.25 117.00 121.68 1rrz n LEU 5 Ca -0.08 0.20 -0.20 0.00 -0.01 0.00 0.00 56.01 55.92 1rrz n LEU 5 Cb 0.66 -0.82 -0.09 0.00 -0.11 0.00 0.00 43.42 43.06 1rrz n LEU 5 CO 0.45 0.66 -0.76 0.59 -1.51 0.00 0.00 177.39 176.82 1rrz n ASN 6 N -3.95 1.88 -0.19 -1.43 4.13 -0.56 -3.58 115.26 111.56 1rrz n ASN 6 Ca -0.51 0.43 -0.10 0.00 1.68 0.00 0.00 54.58 56.08 1rrz n ASN 6 Cb 0.90 -0.90 0.01 0.00 -1.54 0.00 0.00 39.78 38.26 1rrz n ASN 6 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1rrz h SER 7 N -1.00 1.01 -0.16 6.41 0.87 -1.18 -2.49 113.55 117.02 1rrz h SER 7 Ca -0.37 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 59.82 1rrz h SER 7 Cb 1.25 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1rrz h SER 7 CO -0.22 1.10 -0.04 0.25 -0.53 0.00 0.00 176.83 177.39 1rrz h LEU 8 N 0.89 0.31 -0.74 2.23 6.46 -1.37 -0.55 115.31 122.54 1rrz h LEU 8 Ca 0.15 -0.37 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 1rrz h LEU 8 Cb 0.63 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 1rrz h LEU 8 CO 0.04 0.61 0.45 -1.13 -0.62 0.00 0.00 178.44 177.79 1rrz h ASN 9 N 0.01 0.72 -0.39 1.25 -1.24 -1.61 -2.22 115.58 112.11 1rrz h ASN 9 Ca 0.04 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 1rrz h ASN 9 Cb 0.47 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1rrz h ASN 9 CO 0.02 0.48 -0.21 -1.13 -1.29 0.00 0.00 177.43 175.30 1rrz h ASN 10 N 0.86 0.85 -0.92 1.15 -1.24 -1.38 -2.90 115.58 112.00 1rrz h ASN 10 Ca 0.31 -0.41 0.14 0.00 0.71 0.00 0.00 56.30 57.04 1rrz h ASN 10 Cb 0.09 -0.24 -0.07 0.00 0.73 0.00 0.00 38.32 38.83 1rrz h ASN 10 CO -0.14 1.08 0.59 0.15 -1.29 0.00 0.00 177.43 177.82 1rrz h PHE 11 N 0.63 0.91 0.24 0.67 3.04 -0.51 0.30 116.94 122.22 1rrz h PHE 11 Ca 0.08 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1rrz h PHE 11 Cb 0.77 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.99 1rrz h PHE 11 CO 0.06 0.34 -0.12 -0.44 -2.02 0.00 0.00 178.31 176.14 1rrz h ASP 12 N 0.78 -0.27 -0.85 0.41 3.32 -1.35 -0.69 116.42 117.76 1rrz h ASP 12 Ca 0.46 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 1rrz h ASP 12 Cb 0.65 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1rrz h ASP 12 CO -0.22 0.21 0.44 2.19 -1.72 0.00 0.00 179.24 180.13 1rrz h PHE 13 N -1.06 1.20 0.00 4.55 -5.15 -1.42 -2.45 116.94 112.60 1rrz h PHE 13 Ca -0.03 -0.04 -0.10 0.00 -0.20 0.00 0.00 57.97 57.59 1rrz h PHE 13 Cb 0.32 -0.38 -0.01 0.00 0.22 0.00 0.00 35.95 36.10 1rrz h PHE 13 CO 0.02 0.85 -0.47 1.25 -2.00 0.00 0.00 178.31 177.95 1rrz h LEU 14 N 1.21 0.00 -0.38 2.10 7.12 -0.53 -3.20 115.31 121.63 1rrz h LEU 14 Ca 0.30 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.39 1rrz h LEU 14 Cb 0.08 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.12 1rrz h LEU 14 CO -0.04 0.47 -0.18 0.00 -0.13 0.00 0.00 178.44 178.56 1rrz h ALA 15 N 1.53 0.11 -0.06 1.25 0.00 -0.61 1.95 119.26 123.43 1rrz h ALA 15 Ca -0.00 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1rrz h ALA 15 Cb 1.22 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1rrz h ALA 15 CO 0.06 -0.55 -0.47 0.07 0.00 0.00 0.00 179.25 178.37 1rrz h ARG 16 N -0.11 0.15 0.00 0.00 0.11 -1.63 -2.98 114.38 109.93 1rrz h ARG 16 Ca 0.19 -0.08 -0.10 0.00 0.10 0.00 0.00 59.98 60.09 1rrz h ARG 16 Cb 0.40 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 1rrz h ARG 16 CO -0.45 0.59 -0.60 1.03 0.10 0.00 0.00 179.97 180.64 1rrz h SER 17 N 0.13 0.00 -0.34 0.08 0.87 -1.05 -3.02 113.55 110.22 1rrz h SER 17 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1rrz h SER 17 Cb 0.87 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 1rrz h SER 17 CO 0.07 0.45 0.22 -0.26 -0.53 0.00 0.00 176.83 176.78 1rrz h PHE 18 N 0.00 0.42 -0.15 2.24 0.04 0.32 0.50 116.94 120.32 1rrz h PHE 18 Ca -0.02 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.58 1rrz h PHE 18 Cb 1.37 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.37 1rrz h PHE 18 CO 0.00 0.27 -0.62 0.00 -0.60 0.00 0.00 178.31 177.36 1rrz h ALA 19 N 1.12 0.65 -0.28 2.45 0.00 -1.64 -2.42 119.26 119.14 1rrz h ALA 19 Ca 0.12 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1rrz h ALA 19 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rrz h ALA 19 CO -0.03 0.71 -0.11 -0.09 0.00 0.00 0.00 179.25 179.73 1rrz h ARG 20 N 0.38 0.57 0.00 0.00 2.43 -1.32 -2.73 114.38 113.71 1rrz h ARG 20 Ca -0.01 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1rrz h ARG 20 Cb 1.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1rrz h ARG 20 CO 0.11 0.80 0.00 0.52 -1.51 0.00 0.00 179.97 179.89 1rrz h MET 21 N 0.31 0.00 -0.48 0.20 2.86 -0.01 -2.60 114.93 115.22 1rrz h MET 21 Ca 0.06 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1rrz h MET 21 Cb 0.62 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1rrz h MET 21 CO 0.04 0.00 0.03 1.25 1.06 0.00 0.00 176.91 179.28 1rrz h HIS 22 N 0.00 0.89 0.03 -0.22 6.17 -1.10 0.11 115.15 121.03 1rrz h HIS 22 Ca 0.00 -0.14 -0.25 0.00 0.71 0.00 0.00 60.37 60.68 1rrz h HIS 22 Cb 0.41 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 30.07 1rrz h HIS 22 CO 0.00 0.84 -1.31 0.00 0.71 0.00 0.00 177.93 178.17 1rrz h ALA 23 N 0.94 0.44 0.00 5.26 0.00 -1.56 -3.31 119.26 121.01 1rrz h ALA 23 Ca 0.14 -1.10 -0.12 0.00 0.00 0.00 0.00 54.91 53.83 1rrz h ALA 23 Cb 0.47 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1rrz h ALA 23 CO 0.02 1.31 -0.56 0.93 0.00 0.00 0.00 179.25 180.95 1rrz h GLU 24 N 0.02 0.00 -0.98 0.00 5.08 -1.42 -3.48 114.58 113.80 1rrz h GLU 24 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1rrz h GLU 24 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1rrz h GLU 24 CO 0.13 0.56 0.00 0.41 -1.00 0.00 0.00 179.01 179.10 1rrz n GLY 25 N 0.81 0.92 3.82 -3.84 0.00 0.34 -5.07 105.19 102.17 1rrz n GLY 25 Ca 0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.48 2.92 0.07 1.61 0.52 -0.95 -4.87 118.95 113.78 1rrz s ARG 26 Ca 0.00 -0.97 -0.31 0.00 -0.52 0.00 0.00 55.73 53.93 1rrz s ARG 26 Cb 0.00 -2.60 -0.07 0.00 0.52 0.00 0.00 34.95 32.80 1rrz s ARG 26 CO 0.00 0.44 1.41 -1.25 0.02 0.00 0.00 175.30 175.92 1rrz s PRO 27 N -3.53 4.30 -0.05 3.54 0.04 -1.26 -4.80 135.00 133.25 1rrz s PRO 27 Ca 0.32 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.42 1rrz s PRO 27 Cb -0.09 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1rrz s PRO 27 CO 0.24 -0.50 -0.05 0.08 0.04 0.00 0.00 177.00 176.81 1rrz s VAL 28 N 1.65 0.61 -1.03 -0.36 1.01 -1.26 -4.65 120.40 116.36 1rrz s VAL 28 Ca 0.65 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.25 1rrz s VAL 28 Cb -0.35 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1rrz s VAL 28 CO 0.29 0.25 1.79 -0.62 0.00 0.00 0.00 175.10 176.82 1rrz s ASP 29 N 1.04 5.66 0.37 3.32 -1.08 -1.26 -4.74 116.67 119.98 1rrz s ASP 29 Ca -0.09 -1.27 0.11 0.00 -0.52 0.00 0.00 52.55 50.77 1rrz s ASP 29 Cb -0.14 -2.57 0.71 0.00 -1.46 0.00 0.00 42.92 39.45 1rrz s ASP 29 CO -0.01 -2.32 1.84 0.40 0.52 0.00 0.00 175.17 175.61 1rrz h ILE 30 N 6.74 1.24 -0.86 4.11 1.08 -1.97 -2.55 117.51 125.29 1rrz h ILE 30 Ca 0.19 -1.12 0.17 0.00 -0.39 0.00 0.00 64.86 63.71 1rrz h ILE 30 Cb 0.98 1.51 -0.10 0.00 -3.07 0.00 0.00 36.82 36.13 1rrz h ILE 30 CO 1.30 0.33 0.42 0.25 -0.69 0.00 0.00 178.15 179.76 1rrz h LEU 31 N 0.11 0.46 -1.03 1.44 7.12 -1.98 0.55 115.31 121.98 1rrz h LEU 31 Ca 0.02 0.11 0.14 0.00 0.13 0.00 0.00 57.88 58.28 1rrz h LEU 31 Cb 0.58 0.05 -0.09 0.00 -0.53 0.00 0.00 40.66 40.67 1rrz h LEU 31 CO 0.04 0.14 0.63 0.00 -0.13 0.00 0.00 178.44 179.12 1rrz h ALA 32 N 1.61 1.58 0.00 1.25 0.00 -1.85 0.10 119.26 121.95 1rrz h ALA 32 Ca 0.49 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 1rrz h ALA 32 Cb 0.79 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1rrz h ALA 32 CO -0.42 0.14 -0.44 0.28 0.00 0.00 0.00 179.25 178.81 1rrz h VAL 33 N 0.92 0.85 0.00 0.00 2.07 -0.08 -3.19 116.25 116.82 1rrz h VAL 33 Ca 0.51 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1rrz h VAL 33 Cb 0.60 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1rrz h VAL 33 CO -0.29 0.43 -0.25 0.71 0.02 0.00 0.00 177.57 178.20 1rrz h THR 34 N 0.00 0.00 -0.31 2.57 1.35 0.10 -3.26 112.91 113.37 1rrz h THR 34 Ca -0.00 -0.65 0.04 0.00 -0.55 0.00 0.00 66.41 65.25 1rrz h THR 34 Cb 1.17 1.50 -0.04 0.00 -1.73 0.00 0.00 68.15 69.05 1rrz h THR 34 CO 0.06 0.00 0.08 1.23 -0.25 0.00 0.00 175.52 176.64 1rrz h GLY 35 N 4.35 0.37 1.53 5.82 0.00 -1.16 -2.45 103.07 111.53 1rrz h GLY 35 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1rrz h GLY 35 CO 0.00 0.00 -0.89 3.43 0.00 0.00 0.00 176.54 179.08 1rrz h ASN 36 N 0.20 0.54 -4.40 0.19 2.35 -1.76 -3.50 115.58 109.20 1rrz h ASN 36 Ca 0.14 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1rrz h ASN 36 Cb 0.14 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1rrz h ASN 36 CO -0.17 1.20 -0.92 0.80 -1.65 0.00 0.00 177.43 176.69 1rrz n MET 37 N -3.77 -3.93 -4.39 0.81 1.56 -0.92 -5.06 117.12 101.42 1rrz n MET 37 Ca -0.06 2.99 -0.24 0.00 -0.27 0.00 0.00 57.70 60.11 1rrz n MET 37 Cb 0.81 -3.92 -0.09 0.00 2.15 0.00 0.00 33.22 32.17 1rrz n MET 37 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1rrz s ASP 38 N -0.48 3.95 0.20 6.12 2.15 -1.26 -5.01 116.67 122.33 1rrz s ASP 38 Ca -0.07 -0.86 -0.10 0.00 0.43 0.00 0.00 52.55 51.95 1rrz s ASP 38 Cb 0.00 -0.51 0.13 0.00 -0.30 0.00 0.00 42.92 42.24 1rrz s ASP 38 CO 0.19 0.04 1.80 -0.33 -0.17 0.00 0.00 175.17 176.70 1rrz h GLU 39 N 2.25 1.01 0.00 4.34 3.07 -2.02 -1.95 114.58 121.28 1rrz h GLU 39 Ca -0.42 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.36 58.24 1rrz h GLU 39 Cb 1.25 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1rrz h GLU 39 CO 0.59 0.77 -0.29 0.93 -1.40 0.00 0.00 179.01 179.61 1rrz h GLU 40 N 0.99 0.00 0.00 2.33 3.07 -2.02 -3.07 114.58 115.88 1rrz h GLU 40 Ca 0.25 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.07 1rrz h GLU 40 Cb 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1rrz h GLU 40 CO -0.04 0.29 -0.17 1.25 -1.40 0.00 0.00 179.01 178.95 1rrz h HIS 41 N 0.00 0.00 0.62 4.33 2.76 -1.75 -2.01 115.15 119.10 1rrz h HIS 41 Ca -0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1rrz h HIS 41 Cb 0.94 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1rrz h HIS 41 CO 0.00 0.17 -0.34 0.00 -1.30 0.00 0.00 177.93 176.46 1rrz h ARG 42 N 0.00 -0.85 -0.03 5.26 -0.00 -1.43 0.17 114.38 117.50 1rrz h ARG 42 Ca -0.00 0.06 -0.06 0.00 -0.50 0.00 0.00 59.98 59.47 1rrz h ARG 42 Cb 0.42 0.19 -0.01 0.00 0.00 0.00 0.00 29.97 30.57 1rrz h ARG 42 CO 0.02 -0.56 -0.28 0.00 0.00 0.00 0.00 179.97 179.15 1rrz h THR 43 N -0.88 1.22 0.14 2.04 1.03 -1.75 -2.67 112.91 112.04 1rrz h THR 43 Ca -0.08 -1.02 -0.01 0.00 -0.01 0.00 0.00 66.41 65.28 1rrz h THR 43 Cb 0.69 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 1rrz h THR 43 CO 0.11 0.30 -0.07 -0.25 -0.01 0.00 0.00 175.52 175.60 1rrz h TRP 44 N 0.05 -0.18 0.00 0.00 2.91 -1.12 -2.33 115.95 115.29 1rrz h TRP 44 Ca 0.01 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1rrz h TRP 44 Cb 0.53 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.23 1rrz h TRP 44 CO 0.00 -0.05 -0.04 0.35 -1.03 0.00 0.00 178.44 177.67 1rrz h PHE 45 N -0.26 0.00 0.38 2.65 3.04 -0.49 -1.22 116.94 121.04 1rrz h PHE 45 Ca -0.02 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1rrz h PHE 45 Cb 0.20 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1rrz h PHE 45 CO -0.05 0.04 -0.34 0.00 -2.02 0.00 0.00 178.31 175.94 1rrz h ALA 47 N -0.25 0.91 0.00 0.00 0.00 -1.53 -3.01 119.26 115.38 1rrz h ALA 47 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1rrz h ALA 47 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1rrz h ALA 47 CO -0.04 0.36 -0.47 0.54 0.00 0.00 0.00 179.25 179.64 1rrz n ARG 48 N -3.30 0.11 0.09 0.00 3.00 -0.47 -2.86 116.66 113.23 1rrz n ARG 48 Ca 0.01 0.04 -0.11 0.00 -0.01 0.00 0.00 57.85 57.78 1rrz n ARG 48 Cb 0.54 -1.58 -0.07 0.00 0.00 0.00 0.00 32.46 31.35 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 -0.29 -0.38 -1.55 0.05 0.37 -1.26 116.97 113.91 1rrz h TYR 49 Ca 0.00 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1rrz h TYR 49 Cb 0.60 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 1rrz h TYR 49 CO 0.00 0.09 0.08 0.00 -1.05 0.00 0.00 178.16 177.28 1rrz h ALA 50 N -0.45 0.51 0.41 3.88 0.00 -1.70 -0.15 119.26 121.75 1rrz h ALA 50 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1rrz h ALA 50 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1rrz h ALA 50 CO 0.05 0.20 -0.41 2.35 0.00 0.00 0.00 179.25 181.43 1rrz h TRP 51 N 0.47 -1.13 -0.61 0.00 7.01 -1.60 -0.63 115.95 119.46 1rrz h TRP 51 Ca 0.12 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.17 1rrz h TRP 51 Cb 0.33 0.44 -0.04 0.00 -2.10 0.00 0.00 29.16 27.80 1rrz h TRP 51 CO 0.02 -0.57 0.40 -0.92 -2.79 0.00 0.00 178.44 174.59 1rrz h TYR 52 N -0.84 0.64 -0.46 2.65 3.20 -1.18 -0.03 116.97 120.95 1rrz h TYR 52 Ca -0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1rrz h TYR 52 Cb 0.75 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1rrz h TYR 52 CO -0.23 0.36 0.21 0.00 -1.64 0.00 0.00 178.16 176.86 1rrz h GLN 54 N 0.61 0.17 0.17 0.00 -0.00 -0.63 -3.14 115.11 112.28 1rrz h GLN 54 Ca 0.16 -0.29 -0.30 0.00 -0.00 0.00 0.00 58.65 58.22 1rrz h GLN 54 Cb 0.15 0.11 0.02 0.00 -0.00 0.00 0.00 27.48 27.76 1rrz h GLN 54 CO -0.02 1.04 -1.31 -0.56 -0.00 0.00 0.00 178.83 177.98 1rrz h GLN 55 N 0.05 0.41 -0.17 0.06 -0.00 -1.02 -3.08 115.11 111.36 1rrz h GLN 55 Ca -0.17 -0.66 -0.18 0.00 -0.00 0.00 0.00 58.65 57.64 1rrz h GLN 55 Cb 1.95 0.24 0.01 0.00 -0.00 0.00 0.00 27.48 29.68 1rrz h GLN 55 CO 0.15 1.31 -0.61 1.98 -0.00 0.00 0.00 178.83 181.66 1rrz h MET 56 N 0.13 0.71 0.00 0.06 4.05 -1.16 0.14 114.93 118.86 1rrz h MET 56 Ca -0.18 -0.54 -0.02 0.00 -0.28 0.00 0.00 59.70 58.68 1rrz h MET 56 Cb 2.01 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.91 1rrz h MET 56 CO 0.23 1.16 -0.09 0.00 0.23 0.00 0.00 176.91 178.43 1rrz h MET 57 N 0.41 0.00 -0.00 0.39 -0.00 -1.67 0.12 114.93 114.18 1rrz h MET 57 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1rrz h MET 57 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 1rrz h MET 57 CO 0.13 0.09 -0.61 0.94 -0.00 0.00 0.00 176.91 177.46 1rrz n GLN 58 N -4.28 0.14 -0.05 -0.10 7.27 -1.12 -4.09 117.38 115.15 1rrz n GLN 58 Ca -0.03 -0.09 -0.06 0.00 0.07 0.00 0.00 57.00 56.89 1rrz n GLN 58 Cb 0.17 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.18 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 -1.35 1.67 -1.59 1.69 0.00 0.48 -4.86 120.51 116.55 1rrz n ALA 59 Ca 0.06 -0.97 -0.39 0.00 0.00 0.00 0.00 53.44 52.14 1rrz n ALA 59 Cb 0.34 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.67 2.55 0.46 0.00 6.06 0.24 -4.34 118.95 121.25 1rrz s ARG 60 Ca -0.07 1.66 0.00 0.00 -2.50 0.00 0.00 55.73 54.82 1rrz s ARG 60 Cb 0.08 -4.49 0.00 0.00 0.06 0.00 0.00 34.95 30.60 1rrz s ARG 60 CO 0.83 -2.77 0.00 -1.91 -2.50 0.00 0.00 175.30 168.95 1rrz n GLU 61 N 8.91 0.00 -0.06 5.12 0.00 -1.26 -5.01 120.64 128.34 1rrz n GLU 61 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.39 1rrz n GLU 61 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.90 1rrz n GLU 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1rrz n LEU 62 N -3.42 1.72 -4.50 4.31 0.00 -1.26 -5.05 117.00 108.80 1rrz n LEU 62 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 56.01 55.82 1rrz n LEU 62 Cb 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 43.42 42.96 1rrz n LEU 62 CO 0.00 0.43 -0.46 -0.70 0.00 0.00 0.00 177.39 176.65 1rrz s GLU 63 N -2.22 1.78 -0.10 1.96 -6.30 -1.26 -5.08 118.70 107.48 1rrz s GLU 63 Ca -0.16 -1.53 -0.02 0.00 -2.50 0.00 0.00 54.97 50.76 1rrz s GLU 63 Cb 0.05 -1.93 -0.01 0.00 0.00 0.00 0.00 34.13 32.24 1rrz s GLU 63 CO 0.23 0.38 -0.05 1.25 0.02 0.00 0.00 175.26 177.09 1rrz h LEU 64 N 2.69 0.00 0.00 2.70 6.46 -1.96 -3.41 115.31 121.78 1rrz h LEU 64 Ca -0.44 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1rrz h LEU 64 Cb 1.23 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 1rrz h LEU 64 CO 0.55 0.51 0.00 1.21 -0.62 0.00 0.00 178.44 180.09 1rrz n GLU 65 N -4.46 0.00 0.00 1.25 4.07 -1.26 -4.80 120.64 115.44 1rrz n GLU 65 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1rrz n GLU 65 Cb 0.07 -0.11 0.00 0.00 -0.06 0.00 0.00 31.44 31.34 1rrz n GLU 65 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68