#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 -4.07 -4.41 6.12 8.00 -1.26 -4.86 116.55 116.06 1rrz n ASP 2 Ca 0.00 -0.87 -0.26 0.00 0.71 0.00 0.00 54.79 54.37 1rrz n ASP 2 Cb 0.00 -3.45 -0.09 0.00 -0.02 0.00 0.00 41.12 37.55 1rrz n ASP 2 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1rrz s HIS 3 N -3.32 1.94 -0.21 1.24 3.76 -1.26 -5.01 115.29 112.43 1rrz s HIS 3 Ca 0.66 -1.05 -0.16 0.00 -0.15 0.00 0.00 55.06 54.37 1rrz s HIS 3 Cb -0.34 -1.37 -0.09 0.00 1.11 0.00 0.00 32.58 31.89 1rrz s HIS 3 CO 0.87 -0.01 -0.26 0.43 -0.85 0.00 0.00 174.74 174.92 1rrz n SER 4 N -1.08 1.92 -0.01 1.40 7.64 -1.26 -4.18 113.62 118.06 1rrz n SER 4 Ca -0.08 0.39 0.02 0.00 1.01 0.00 0.00 58.87 60.21 1rrz n SER 4 Cb 0.66 -0.81 -0.12 0.00 -1.01 0.00 0.00 64.21 62.93 1rrz n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rrz n LEU 5 N -4.41 0.39 0.00 -3.43 -0.00 -1.26 -3.69 117.00 104.60 1rrz n LEU 5 Ca -0.29 0.17 -0.17 0.00 -0.00 0.00 0.00 56.01 55.71 1rrz n LEU 5 Cb 0.63 0.15 -0.11 0.00 -0.00 0.00 0.00 43.42 44.08 1rrz n LEU 5 CO 0.13 0.16 0.25 0.78 -0.00 0.00 0.00 177.39 178.72 1rrz h ASN 6 N 0.00 0.51 -0.16 1.45 4.21 -1.98 -2.81 115.58 116.80 1rrz h ASN 6 Ca -0.20 -0.77 -0.12 0.00 1.21 0.00 0.00 56.30 56.42 1rrz h ASN 6 Cb 1.53 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.56 1rrz h ASN 6 CO 0.02 1.21 -0.29 -1.28 -1.29 0.00 0.00 177.43 175.81 1rrz h SER 7 N -0.14 0.66 -0.17 5.81 0.87 -1.77 -2.05 113.55 116.76 1rrz h SER 7 Ca -0.07 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 1rrz h SER 7 Cb 1.31 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1rrz h SER 7 CO 0.12 0.92 0.01 0.25 -0.53 0.00 0.00 176.83 177.60 1rrz h LEU 8 N 0.55 0.29 -0.45 2.23 6.46 -1.64 0.06 115.31 122.81 1rrz h LEU 8 Ca 0.07 -0.29 -0.06 0.00 -0.12 0.00 0.00 57.88 57.48 1rrz h LEU 8 Cb 0.78 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 1rrz h LEU 8 CO 0.06 0.50 0.06 0.78 -0.62 0.00 0.00 178.44 179.23 1rrz h ASN 9 N 0.06 0.73 -0.07 1.25 4.21 -1.47 -2.49 115.58 117.81 1rrz h ASN 9 Ca 0.05 -0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.28 1rrz h ASN 9 Cb 0.35 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1rrz h ASN 9 CO 0.01 0.82 -0.01 -1.13 -1.29 0.00 0.00 177.43 175.83 1rrz h ASN 10 N 0.62 0.13 -0.71 5.81 -1.24 -1.34 -2.91 115.58 115.94 1rrz h ASN 10 Ca 0.14 -0.34 0.07 0.00 0.71 0.00 0.00 56.30 56.88 1rrz h ASN 10 Cb 0.41 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.38 1rrz h ASN 10 CO 0.01 0.43 0.47 0.15 -1.29 0.00 0.00 177.43 177.20 1rrz h PHE 11 N -0.18 0.71 0.53 0.67 3.04 -0.97 0.80 116.94 121.54 1rrz h PHE 11 Ca 0.02 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1rrz h PHE 11 Cb 0.37 -0.23 0.01 0.00 2.56 0.00 0.00 35.95 38.65 1rrz h PHE 11 CO 0.04 0.37 -0.25 -0.44 -2.02 0.00 0.00 178.31 176.01 1rrz h ASP 12 N 0.70 -0.60 -0.20 0.41 5.19 -1.37 0.35 116.42 120.89 1rrz h ASP 12 Ca 0.31 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.63 1rrz h ASP 12 Cb 0.31 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1rrz h ASP 12 CO -0.10 -0.20 -0.05 2.19 -3.12 0.00 0.00 179.24 177.95 1rrz h PHE 13 N -1.12 0.56 0.02 4.55 -5.15 -1.42 -2.80 116.94 111.59 1rrz h PHE 13 Ca -0.07 -0.07 -0.22 0.00 -0.20 0.00 0.00 57.97 57.41 1rrz h PHE 13 Cb 0.60 -0.16 -0.02 0.00 0.22 0.00 0.00 35.95 36.59 1rrz h PHE 13 CO 0.01 0.59 -1.01 1.25 -2.00 0.00 0.00 178.31 177.15 1rrz h LEU 14 N 0.50 0.09 -0.70 2.10 7.12 -0.89 -3.18 115.31 120.36 1rrz h LEU 14 Ca 0.10 -0.09 0.15 0.00 0.13 0.00 0.00 57.88 58.16 1rrz h LEU 14 Cb 0.41 -0.03 -0.13 0.00 -0.53 0.00 0.00 40.66 40.38 1rrz h LEU 14 CO 0.02 1.04 -0.10 0.00 -0.13 0.00 0.00 178.44 179.27 1rrz h ALA 15 N 0.95 0.57 -0.32 1.25 0.00 -0.01 2.15 119.26 123.85 1rrz h ALA 15 Ca -0.03 0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1rrz h ALA 15 Cb 1.74 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1rrz h ALA 15 CO 0.14 -0.42 -0.43 -0.09 0.00 0.00 0.00 179.25 178.45 1rrz h ARG 16 N 0.04 0.81 -0.01 0.00 1.12 -1.65 -3.15 114.38 111.55 1rrz h ARG 16 Ca 0.35 -0.45 -0.17 0.00 -1.11 0.00 0.00 59.98 58.61 1rrz h ARG 16 Cb 0.57 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.54 1rrz h ARG 16 CO -0.67 1.08 -0.77 1.03 -3.11 0.00 0.00 179.97 177.53 1rrz h SER 17 N 0.66 0.13 0.07 -3.80 0.87 -0.78 -3.12 113.55 107.57 1rrz h SER 17 Ca 0.04 -0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1rrz h SER 17 Cb 1.01 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.89 1rrz h SER 17 CO 0.10 0.85 -0.26 -0.26 -0.53 0.00 0.00 176.83 176.72 1rrz h PHE 18 N 0.07 -0.70 -0.31 2.24 0.04 0.34 0.56 116.94 119.18 1rrz h PHE 18 Ca -0.02 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1rrz h PHE 18 Cb 1.35 0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.78 1rrz h PHE 18 CO 0.01 -0.36 0.03 0.00 -0.60 0.00 0.00 178.31 177.40 1rrz h ALA 19 N 0.33 1.48 -0.20 2.45 0.00 -1.64 -2.79 119.26 118.89 1rrz h ALA 19 Ca 0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1rrz h ALA 19 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rrz h ALA 19 CO -0.18 0.38 -0.59 -0.09 0.00 0.00 0.00 179.25 178.76 1rrz h ARG 20 N 0.45 0.76 0.00 0.00 2.43 -1.25 -3.06 114.38 113.72 1rrz h ARG 20 Ca 0.10 -0.55 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1rrz h ARG 20 Cb 0.25 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1rrz h ARG 20 CO 0.00 1.17 -0.03 0.52 -1.51 0.00 0.00 179.97 180.12 1rrz h MET 21 N 0.49 0.00 -0.95 0.20 2.86 0.35 -2.48 114.93 115.40 1rrz h MET 21 Ca -0.02 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1rrz h MET 21 Cb 1.21 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.82 1rrz h MET 21 CO 0.13 0.03 0.61 1.25 1.06 0.00 0.00 176.91 180.00 1rrz h HIS 22 N 0.00 1.15 0.03 -0.22 6.17 -1.39 0.14 115.15 121.03 1rrz h HIS 22 Ca -0.00 0.03 -0.28 0.00 0.71 0.00 0.00 60.37 60.82 1rrz h HIS 22 Cb 0.16 -0.38 -0.04 0.00 2.52 0.00 0.00 27.41 29.68 1rrz h HIS 22 CO 0.00 0.65 -1.56 0.00 0.71 0.00 0.00 177.93 177.73 1rrz h ALA 23 N 1.40 0.57 0.00 5.26 0.00 -1.61 -3.34 119.26 121.54 1rrz h ALA 23 Ca 0.38 -1.28 -0.10 0.00 0.00 0.00 0.00 54.91 53.90 1rrz h ALA 23 Cb 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1rrz h ALA 23 CO -0.13 1.41 -0.50 0.93 0.00 0.00 0.00 179.25 180.96 1rrz h GLU 24 N 0.02 0.00 -1.51 0.00 5.08 -1.19 -3.47 114.58 113.51 1rrz h GLU 24 Ca -0.23 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1rrz h GLU 24 Cb 1.97 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.23 1rrz h GLU 24 CO 0.11 0.50 -0.09 0.41 -1.00 0.00 0.00 179.01 178.93 1rrz n GLY 25 N 0.28 0.67 3.73 -3.84 0.00 0.47 -5.06 105.19 101.44 1rrz n GLY 25 Ca -0.01 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -5.04 2.62 0.19 1.61 0.52 -1.20 -4.81 118.95 112.85 1rrz s ARG 26 Ca 0.07 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 53.86 1rrz s ARG 26 Cb -0.03 -2.43 -0.09 0.00 0.52 0.00 0.00 34.95 32.92 1rrz s ARG 26 CO 0.09 0.42 1.37 -1.25 0.02 0.00 0.00 175.30 175.95 1rrz s PRO 27 N -3.39 4.34 -0.04 3.54 0.04 -1.26 -4.82 135.00 133.41 1rrz s PRO 27 Ca 0.30 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.48 1rrz s PRO 27 Cb -0.08 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1rrz s PRO 27 CO 0.22 -0.35 -0.03 0.08 0.04 0.00 0.00 177.00 176.96 1rrz s VAL 28 N 0.37 0.41 -1.00 -0.36 1.01 -1.26 -4.50 120.40 115.08 1rrz s VAL 28 Ca 0.60 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1rrz s VAL 28 Cb -0.38 -0.46 -0.08 0.00 0.00 0.00 0.00 36.38 35.46 1rrz s VAL 28 CO 0.37 0.20 1.99 1.51 0.00 0.00 0.00 175.10 179.16 1rrz s ASP 29 N 0.96 4.92 0.24 3.32 1.47 -1.26 -4.72 116.67 121.60 1rrz s ASP 29 Ca -0.11 -0.98 0.03 0.00 1.18 0.00 0.00 52.55 52.68 1rrz s ASP 29 Cb -0.14 -2.57 0.28 0.00 -0.34 0.00 0.00 42.92 40.15 1rrz s ASP 29 CO -0.01 -3.05 1.59 0.40 0.68 0.00 0.00 175.17 174.78 1rrz h ILE 30 N 6.89 1.35 -1.00 2.11 1.08 -1.98 -2.76 117.51 123.20 1rrz h ILE 30 Ca 0.13 -1.79 0.18 0.00 -0.39 0.00 0.00 64.86 62.99 1rrz h ILE 30 Cb 0.98 1.84 -0.10 0.00 -3.07 0.00 0.00 36.82 36.47 1rrz h ILE 30 CO 1.19 0.54 0.62 0.25 -0.69 0.00 0.00 178.15 180.05 1rrz h LEU 31 N 0.25 0.78 -1.29 1.44 7.12 -1.99 0.69 115.31 122.31 1rrz h LEU 31 Ca 0.01 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.19 1rrz h LEU 31 Cb 1.00 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 41.02 1rrz h LEU 31 CO 0.09 0.31 0.53 0.00 -0.13 0.00 0.00 178.44 179.23 1rrz h ALA 32 N 1.62 1.69 0.00 1.25 0.00 -1.88 -1.10 119.26 120.84 1rrz h ALA 32 Ca 0.56 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.32 1rrz h ALA 32 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1rrz h ALA 32 CO -0.35 0.15 -0.69 0.28 0.00 0.00 0.00 179.25 178.65 1rrz h VAL 33 N 0.81 1.03 0.00 0.00 2.07 0.21 -3.25 116.25 117.11 1rrz h VAL 33 Ca 0.37 -2.47 -0.14 0.00 0.82 0.00 0.00 66.70 65.27 1rrz h VAL 33 Cb 0.38 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1rrz h VAL 33 CO -0.14 0.58 -0.69 0.71 0.02 0.00 0.00 177.57 178.05 1rrz h THR 34 N 0.00 1.44 0.00 2.57 1.35 0.32 -2.82 112.91 115.77 1rrz h THR 34 Ca -0.02 -2.40 -0.11 0.00 -0.55 0.00 0.00 66.41 63.34 1rrz h THR 34 Cb 1.49 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 70.21 1rrz h THR 34 CO 0.08 0.67 -0.51 1.23 -0.25 0.00 0.00 175.52 176.74 1rrz h GLY 35 N 2.23 0.00 0.07 5.82 0.00 -1.46 -3.37 103.07 106.36 1rrz h GLY 35 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1rrz h GLY 35 CO 0.09 0.00 -0.03 3.43 0.00 0.00 0.00 176.54 180.03 1rrz h ASN 36 N 0.00 -0.08 -2.07 0.19 4.21 -1.57 -3.45 115.58 112.82 1rrz h ASN 36 Ca -0.01 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.90 1rrz h ASN 36 Cb 1.27 0.02 -0.13 0.00 -1.12 0.00 0.00 38.32 38.36 1rrz h ASN 36 CO 0.07 0.18 -0.70 0.00 -1.29 0.00 0.00 177.43 175.69 1rrz s MET 37 N -1.71 1.86 0.00 0.81 0.23 -1.07 -5.05 119.30 114.36 1rrz s MET 37 Ca -0.01 -1.79 0.00 0.00 -1.03 0.00 0.00 55.69 52.86 1rrz s MET 37 Cb 0.00 -1.81 0.00 0.00 -1.53 0.00 0.00 34.83 31.49 1rrz s MET 37 CO 0.04 0.23 0.00 -0.25 -2.03 0.00 0.00 175.02 173.01 1rrz n ASP 38 N -0.76 0.00 0.13 -1.18 8.00 -1.26 -4.45 116.55 117.02 1rrz n ASP 38 Ca -0.05 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.30 1rrz n ASP 38 Cb 0.61 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.67 0.00 -1.24 4.39 -1.97 -1.18 114.58 113.91 1rrz h GLU 39 Ca 0.00 0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1rrz h GLU 39 Cb 0.00 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1rrz h GLU 39 CO 0.00 -0.44 -0.49 1.49 -1.16 0.00 0.00 179.01 178.41 1rrz h GLU 40 N -0.69 0.00 0.00 2.33 4.22 -2.03 -3.13 114.58 115.29 1rrz h GLU 40 Ca 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1rrz h GLU 40 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1rrz h GLU 40 CO -0.24 0.49 -0.01 1.25 -2.18 0.00 0.00 179.01 178.32 1rrz h HIS 41 N 0.00 0.00 0.43 0.92 2.76 -1.62 -2.85 115.15 114.78 1rrz h HIS 41 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1rrz h HIS 41 Cb 1.23 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 1rrz h HIS 41 CO 0.00 0.01 -0.43 0.00 -1.30 0.00 0.00 177.93 176.21 1rrz h ARG 42 N 0.00 -0.82 -0.04 5.26 2.47 -1.18 0.16 114.38 120.22 1rrz h ARG 42 Ca -0.00 0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.62 1rrz h ARG 42 Cb 0.13 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1rrz h ARG 42 CO 0.00 -0.55 -0.66 0.00 0.56 0.00 0.00 179.97 179.32 1rrz h THR 43 N -0.86 1.42 0.26 2.04 1.03 -1.79 -2.76 112.91 112.25 1rrz h THR 43 Ca -0.05 -2.14 -0.01 0.00 -0.01 0.00 0.00 66.41 64.20 1rrz h THR 43 Cb 0.74 2.12 0.00 0.00 -1.07 0.00 0.00 68.15 69.95 1rrz h THR 43 CO -0.05 0.63 -0.12 -0.25 -0.01 0.00 0.00 175.52 175.71 1rrz h TRP 44 N 0.12 -0.32 0.00 0.00 2.91 -1.30 -2.37 115.95 114.99 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 1.18 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 1rrz h TRP 44 CO 0.02 -0.20 0.00 0.35 -1.03 0.00 0.00 178.44 177.58 1rrz h PHE 45 N -0.35 0.00 0.57 2.65 3.04 -0.73 -2.32 116.94 119.81 1rrz h PHE 45 Ca -0.04 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1rrz h PHE 45 Cb 0.27 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1rrz h PHE 45 CO -0.06 0.00 -0.48 0.00 -2.02 0.00 0.00 178.31 175.75 1rrz h ALA 47 N -0.85 0.96 0.00 0.00 0.00 -1.57 -2.97 119.26 114.82 1rrz h ALA 47 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1rrz h ALA 47 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1rrz h ALA 47 CO -0.01 0.18 -0.48 0.54 0.00 0.00 0.00 179.25 179.48 1rrz n ARG 48 N -3.20 0.20 0.11 0.00 3.00 -0.87 -2.75 116.66 113.15 1rrz n ARG 48 Ca 0.02 0.07 -0.10 0.00 -0.01 0.00 0.00 57.85 57.83 1rrz n ARG 48 Cb 0.47 -1.64 -0.06 0.00 0.00 0.00 0.00 32.46 31.23 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 -0.32 -0.45 -1.55 0.05 0.31 -1.35 116.97 113.67 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 0.67 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 1rrz h TYR 49 CO 0.00 0.02 0.11 0.00 -1.05 0.00 0.00 178.16 177.24 1rrz h ALA 50 N -0.58 0.59 0.52 3.88 0.00 -1.70 -0.46 119.26 121.50 1rrz h ALA 50 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1rrz h ALA 50 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1rrz h ALA 50 CO 0.06 0.26 -0.44 2.35 0.00 0.00 0.00 179.25 181.49 1rrz h TRP 51 N 0.59 -1.19 -0.62 0.00 7.01 -1.59 -0.36 115.95 119.79 1rrz h TRP 51 Ca 0.14 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.22 1rrz h TRP 51 Cb 0.31 0.45 -0.04 0.00 -2.10 0.00 0.00 29.16 27.78 1rrz h TRP 51 CO 0.02 -0.61 0.41 -0.92 -2.79 0.00 0.00 178.44 174.55 1rrz h TYR 52 N -0.94 0.55 -0.28 2.65 3.20 -1.19 0.70 116.97 121.65 1rrz h TYR 52 Ca -0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1rrz h TYR 52 Cb 0.81 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1rrz h TYR 52 CO -0.19 0.28 0.12 0.00 -1.64 0.00 0.00 178.16 176.73 1rrz h GLN 54 N 0.31 0.01 0.15 0.00 -0.00 -0.45 -3.18 115.11 111.95 1rrz h GLN 54 Ca 0.10 -0.01 -0.29 0.00 -0.00 0.00 0.00 58.65 58.44 1rrz h GLN 54 Cb 0.15 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.65 1rrz h GLN 54 CO -0.01 0.92 -1.36 -0.56 -0.00 0.00 0.00 178.83 177.82 1rrz h GLN 55 N 0.00 0.32 -0.23 0.06 -0.00 -0.86 -3.08 115.11 111.33 1rrz h GLN 55 Ca -0.06 -0.55 -0.09 0.00 -0.00 0.00 0.00 58.65 57.94 1rrz h GLN 55 Cb 1.82 0.21 -0.00 0.00 -0.00 0.00 0.00 27.48 29.50 1rrz h GLN 55 CO 0.12 1.25 -0.23 1.98 -0.00 0.00 0.00 178.83 181.95 1rrz h MET 56 N 0.09 0.55 0.00 0.06 4.05 -1.14 0.15 114.93 118.70 1rrz h MET 56 Ca -0.18 -0.29 -0.02 0.00 -0.28 0.00 0.00 59.70 58.92 1rrz h MET 56 Cb 2.02 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.83 1rrz h MET 56 CO 0.21 0.88 -0.08 0.00 0.23 0.00 0.00 176.91 178.15 1rrz h MET 57 N 0.25 0.00 -0.01 0.39 -0.00 -1.68 -0.20 114.93 113.69 1rrz h MET 57 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1rrz h MET 57 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 1rrz h MET 57 CO 0.06 0.08 -0.39 1.04 -0.00 0.00 0.00 176.91 177.70 1rrz n GLN 58 N -4.42 0.54 0.08 -0.10 6.02 -1.07 -3.89 117.38 114.55 1rrz n GLN 58 Ca -0.03 -0.34 0.12 0.00 -0.01 0.00 0.00 57.00 56.74 1rrz n GLN 58 Cb 0.16 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 29.99 1rrz n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rrz h ALA 59 N 3.44 0.50 -0.65 -1.58 0.00 0.12 -3.44 119.26 117.65 1rrz h ALA 59 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1rrz h ALA 59 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1rrz h ALA 59 CO 0.00 0.00 0.66 0.50 0.00 0.00 0.00 179.25 180.41 1rrz s ARG 60 N -3.28 2.42 0.01 0.00 3.52 -1.01 -3.64 118.95 116.97 1rrz s ARG 60 Ca 0.02 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1rrz s ARG 60 Cb 0.11 -5.04 0.00 0.00 -1.56 0.00 0.00 34.95 28.46 1rrz s ARG 60 CO 0.77 -3.57 0.00 -1.91 -0.81 0.00 0.00 175.30 169.78 1rrz n GLU 61 N 8.81 0.00 0.03 5.12 0.00 -1.26 -5.03 120.64 128.31 1rrz n GLU 61 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.57 1rrz n GLU 61 Cb 0.46 0.00 0.00 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 -2.25 0.39 -4.08 4.31 0.00 -1.24 -5.00 117.00 109.12 1rrz n LEU 62 Ca 0.00 0.11 -0.33 0.00 0.00 0.00 0.00 56.01 55.79 1rrz n LEU 62 Cb 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 43.42 43.20 1rrz n LEU 62 CO 0.00 -0.42 -0.39 -0.70 0.00 0.00 0.00 177.39 175.87 1rrz s GLU 63 N -2.00 2.09 -0.03 1.96 -6.30 -1.25 -5.10 118.70 108.06 1rrz s GLU 63 Ca 0.00 -1.48 -0.02 0.00 -2.50 0.00 0.00 54.97 50.97 1rrz s GLU 63 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 34.13 31.04 1rrz s GLU 63 CO 0.00 -0.69 0.08 -1.17 0.02 0.00 0.00 175.26 173.50 1rrz s LEU 64 N 1.09 3.94 0.00 2.70 0.20 -1.26 -4.57 118.68 120.77 1rrz s LEU 64 Ca -0.03 0.20 0.00 0.00 0.69 0.00 0.00 54.13 55.00 1rrz s LEU 64 Cb -0.20 -2.19 0.00 0.00 -0.43 0.00 0.00 46.19 43.37 1rrz s LEU 64 CO -0.05 0.31 0.00 -0.62 -0.29 0.00 0.00 176.35 175.70 1rrz n GLU 65 N 1.43 0.00 -0.47 1.98 1.02 -1.26 -5.05 120.64 118.29 1rrz n GLU 65 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1rrz n GLU 65 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1rrz n GLU 65 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03