#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 -6.45 0.12 7.83 2.03 -1.26 -4.78 116.55 114.04 1rrz n ASP 2 Ca 0.00 -0.60 0.12 0.00 0.52 0.00 0.00 54.79 54.83 1rrz n ASP 2 Cb 0.00 -4.23 0.27 0.00 -0.72 0.00 0.00 41.12 36.44 1rrz n ASP 2 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1rrz h HIS 3 N -0.64 0.00 0.10 -0.67 3.86 -1.99 -2.33 115.15 113.48 1rrz h HIS 3 Ca -0.41 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.47 1rrz h HIS 3 Cb 1.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 1rrz h HIS 3 CO 0.26 0.00 -1.75 0.77 0.86 0.00 0.00 177.93 178.07 1rrz h SER 4 N 0.00 0.33 0.00 2.45 0.02 -1.96 -3.17 113.55 111.22 1rrz h SER 4 Ca 0.00 -0.60 -0.39 0.00 -0.84 0.00 0.00 61.79 59.96 1rrz h SER 4 Cb 0.81 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.18 1rrz h SER 4 CO 0.00 1.52 -2.44 0.18 -1.14 0.00 0.00 176.83 174.94 1rrz n LEU 5 N -3.38 2.72 -0.07 5.07 7.99 -1.25 -4.11 117.00 123.96 1rrz n LEU 5 Ca -0.22 -0.03 -0.11 0.00 -0.01 0.00 0.00 56.01 55.64 1rrz n LEU 5 Cb 1.05 -0.86 -0.09 0.00 -0.11 0.00 0.00 43.42 43.41 1rrz n LEU 5 CO 0.47 0.84 0.18 -1.13 -1.51 0.00 0.00 177.39 176.23 1rrz h ASN 6 N -0.23 0.00 -0.79 -1.43 -1.24 -1.67 -3.02 115.58 107.20 1rrz h ASN 6 Ca -0.59 -0.66 -0.04 0.00 0.71 0.00 0.00 56.30 55.72 1rrz h ASN 6 Cb 1.80 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.82 1rrz h ASN 6 CO -0.16 0.91 0.33 -1.28 -1.29 0.00 0.00 177.43 175.93 1rrz h SER 7 N -1.00 1.08 -0.25 1.15 0.87 -1.59 -1.76 113.55 112.05 1rrz h SER 7 Ca -0.03 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 1rrz h SER 7 Cb 0.75 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1rrz h SER 7 CO -0.02 0.95 0.03 0.25 -0.53 0.00 0.00 176.83 177.51 1rrz h LEU 8 N 1.14 0.42 -0.51 2.23 5.85 -1.70 -0.36 115.31 122.38 1rrz h LEU 8 Ca 0.27 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1rrz h LEU 8 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1rrz h LEU 8 CO -0.02 0.59 0.21 -1.13 -0.34 0.00 0.00 178.44 177.74 1rrz h ASN 9 N 0.23 0.71 -0.06 1.25 -1.24 -1.41 -2.32 115.58 112.74 1rrz h ASN 9 Ca 0.08 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 1rrz h ASN 9 Cb 0.36 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 1rrz h ASN 9 CO 0.01 0.68 0.00 -1.13 -1.29 0.00 0.00 177.43 175.70 1rrz h ASN 10 N 0.69 0.10 -1.01 1.15 -1.24 -1.26 -3.04 115.58 110.96 1rrz h ASN 10 Ca 0.17 -0.30 0.13 0.00 0.71 0.00 0.00 56.30 57.01 1rrz h ASN 10 Cb 0.20 -0.03 -0.09 0.00 0.73 0.00 0.00 38.32 39.13 1rrz h ASN 10 CO -0.01 0.37 0.63 0.15 -1.29 0.00 0.00 177.43 177.28 1rrz h PHE 11 N -0.18 1.14 0.87 0.67 3.04 -0.98 0.78 116.94 122.28 1rrz h PHE 11 Ca 0.02 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1rrz h PHE 11 Cb 0.32 -0.36 0.01 0.00 2.56 0.00 0.00 35.95 38.48 1rrz h PHE 11 CO 0.03 0.43 -0.42 0.22 -2.02 0.00 0.00 178.31 176.55 1rrz h ASP 12 N 0.97 -0.99 0.22 0.41 3.58 -1.33 0.46 116.42 119.73 1rrz h ASP 12 Ca 0.51 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.93 1rrz h ASP 12 Cb 0.54 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1rrz h ASP 12 CO -0.28 -0.65 -0.27 2.19 -2.88 0.00 0.00 179.24 177.36 1rrz h PHE 13 N -1.29 0.08 0.00 0.28 -5.15 -1.41 -2.69 116.94 106.76 1rrz h PHE 13 Ca -0.12 -0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.63 1rrz h PHE 13 Cb 0.90 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 37.05 1rrz h PHE 13 CO -0.00 0.34 -0.48 1.25 -2.00 0.00 0.00 178.31 177.42 1rrz h LEU 14 N 0.07 0.00 -0.58 2.10 7.12 -0.79 -3.20 115.31 120.03 1rrz h LEU 14 Ca 0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1rrz h LEU 14 Cb 0.51 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 1rrz h LEU 14 CO 0.04 0.01 0.36 0.00 -0.13 0.00 0.00 178.44 178.72 1rrz h ALA 15 N 1.99 0.73 -0.17 1.25 0.00 0.28 1.42 119.26 124.76 1rrz h ALA 15 Ca -0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1rrz h ALA 15 Cb 1.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1rrz h ALA 15 CO 0.00 0.20 -0.53 0.07 0.00 0.00 0.00 179.25 178.99 1rrz h ARG 16 N 0.78 0.49 0.00 0.00 0.11 -1.65 -3.13 114.38 110.97 1rrz h ARG 16 Ca 0.21 -0.30 -0.19 0.00 0.10 0.00 0.00 59.98 59.80 1rrz h ARG 16 Cb -0.04 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.04 1rrz h ARG 16 CO -0.04 0.90 -0.92 1.03 0.10 0.00 0.00 179.97 181.04 1rrz h SER 17 N 0.38 0.00 -0.06 0.08 0.87 -1.41 -3.10 113.55 110.31 1rrz h SER 17 Ca 0.01 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1rrz h SER 17 Cb 1.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1rrz h SER 17 CO 0.10 0.92 -0.06 -0.26 -0.53 0.00 0.00 176.83 176.99 1rrz h PHE 18 N 0.00 -0.15 -0.37 2.24 -1.00 0.20 0.35 116.94 118.20 1rrz h PHE 18 Ca -0.01 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1rrz h PHE 18 Cb 1.68 0.08 -0.02 0.00 3.61 0.00 0.00 35.95 41.31 1rrz h PHE 18 CO 0.00 -0.10 -0.17 0.00 -1.61 0.00 0.00 178.31 176.43 1rrz h ALA 19 N 0.97 1.01 -0.47 2.45 0.00 -1.65 -2.79 119.26 118.78 1rrz h ALA 19 Ca 0.05 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1rrz h ALA 19 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rrz h ALA 19 CO -0.11 0.59 -0.15 -0.09 0.00 0.00 0.00 179.25 179.48 1rrz h ARG 20 N 0.61 0.94 0.00 0.00 2.43 -1.34 -2.74 114.38 114.28 1rrz h ARG 20 Ca 0.10 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 1rrz h ARG 20 Cb 0.64 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1rrz h ARG 20 CO 0.04 1.04 -0.11 0.52 -1.51 0.00 0.00 179.97 179.95 1rrz h MET 21 N 0.78 0.00 -0.86 0.20 2.86 -0.19 -2.65 114.93 115.07 1rrz h MET 21 Ca 0.11 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1rrz h MET 21 Cb 0.72 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 1rrz h MET 21 CO 0.05 0.11 0.56 1.25 1.06 0.00 0.00 176.91 179.95 1rrz h HIS 22 N 0.00 1.06 0.07 -0.22 -0.00 -1.21 0.69 115.15 115.55 1rrz h HIS 22 Ca -0.00 0.03 -0.26 0.00 -0.00 0.00 0.00 60.37 60.14 1rrz h HIS 22 Cb 0.32 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1rrz h HIS 22 CO 0.00 0.64 -1.25 0.00 -0.00 0.00 0.00 177.93 177.32 1rrz h ALA 23 N 1.34 0.27 0.00 5.26 0.00 -1.58 -3.30 119.26 121.25 1rrz h ALA 23 Ca 0.33 -0.98 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1rrz h ALA 23 Cb -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rrz h ALA 23 CO -0.10 1.15 -0.47 0.93 0.00 0.00 0.00 179.25 180.76 1rrz h GLU 24 N 0.04 0.00 -0.57 0.00 5.08 -1.18 -3.47 114.58 114.48 1rrz h GLU 24 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1rrz h GLU 24 Cb 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1rrz h GLU 24 CO 0.16 0.47 0.00 0.41 -1.00 0.00 0.00 179.01 179.05 1rrz n GLY 25 N 0.24 0.75 3.77 -3.84 0.00 0.21 -5.06 105.19 101.26 1rrz n GLY 25 Ca -0.01 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.41 2.79 0.03 1.61 0.52 -1.16 -4.91 118.95 113.42 1rrz s ARG 26 Ca 0.00 -0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 53.92 1rrz s ARG 26 Cb 0.00 -2.55 -0.06 0.00 0.52 0.00 0.00 34.95 32.86 1rrz s ARG 26 CO 0.00 0.45 1.40 -1.25 0.02 0.00 0.00 175.30 175.93 1rrz s PRO 27 N -3.29 4.29 -0.10 3.54 0.04 -1.26 -4.81 135.00 133.41 1rrz s PRO 27 Ca 0.31 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.38 1rrz s PRO 27 Cb -0.09 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1rrz s PRO 27 CO 0.23 -0.54 -0.24 0.08 0.04 0.00 0.00 177.00 176.57 1rrz s VAL 28 N 2.09 2.07 -1.03 -0.36 1.01 -1.26 -4.89 120.40 118.03 1rrz s VAL 28 Ca 0.64 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 1rrz s VAL 28 Cb -0.33 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1rrz s VAL 28 CO 0.28 0.56 1.83 -0.62 0.00 0.00 0.00 175.10 177.15 1rrz s ASP 29 N 0.35 5.53 0.31 3.32 -1.08 -1.26 -4.75 116.67 119.09 1rrz s ASP 29 Ca -0.19 -1.24 0.02 0.00 -0.52 0.00 0.00 52.55 50.62 1rrz s ASP 29 Cb -0.18 -2.57 0.50 0.00 -1.46 0.00 0.00 42.92 39.21 1rrz s ASP 29 CO 0.09 -2.45 1.83 0.40 0.52 0.00 0.00 175.17 175.56 1rrz h ILE 30 N 6.74 1.22 -0.90 4.11 1.08 -1.98 -2.51 117.51 125.26 1rrz h ILE 30 Ca 0.18 -0.87 0.19 0.00 -0.39 0.00 0.00 64.86 63.97 1rrz h ILE 30 Cb 0.98 0.92 -0.11 0.00 -3.07 0.00 0.00 36.82 35.53 1rrz h ILE 30 CO 1.28 0.30 0.45 0.25 -0.69 0.00 0.00 178.15 179.74 1rrz h LEU 31 N 0.60 0.49 -1.00 1.44 7.12 -1.95 0.54 115.31 122.55 1rrz h LEU 31 Ca 0.12 0.12 0.18 0.00 0.13 0.00 0.00 57.88 58.43 1rrz h LEU 31 Cb 0.37 0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 40.46 1rrz h LEU 31 CO 0.01 0.13 0.61 0.00 -0.13 0.00 0.00 178.44 179.07 1rrz h ALA 32 N 1.64 1.64 0.00 1.25 0.00 -1.85 0.23 119.26 122.17 1rrz h ALA 32 Ca 0.53 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 1rrz h ALA 32 Cb 0.90 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rrz h ALA 32 CO -0.44 0.00 -0.12 0.28 0.00 0.00 0.00 179.25 178.97 1rrz h VAL 33 N 0.81 0.21 -0.54 0.00 2.07 -0.08 -3.25 116.25 115.47 1rrz h VAL 33 Ca 0.56 -1.28 -0.22 0.00 0.82 0.00 0.00 66.70 66.58 1rrz h VAL 33 Cb 0.82 2.08 -0.13 0.00 -1.52 0.00 0.00 31.29 32.54 1rrz h VAL 33 CO -0.36 0.12 0.28 0.35 0.02 0.00 0.00 177.57 177.98 1rrz n THR 34 N -3.13 2.16 0.00 2.57 -2.24 0.78 -4.62 114.28 109.79 1rrz n THR 34 Ca 0.03 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1rrz n THR 34 Cb 0.57 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1rrz n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rrz n GLY 35 N -0.24 -0.79 0.08 3.38 0.00 -1.14 -4.84 105.19 101.64 1rrz n GLY 35 Ca 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 1rrz n GLY 35 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rrz n ASN 36 N 0.00 2.37 -4.57 1.61 6.94 -1.26 -4.88 115.26 115.47 1rrz n ASN 36 Ca 0.00 -0.07 -0.42 0.00 -0.02 0.00 0.00 54.58 54.07 1rrz n ASN 36 Cb 0.00 0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 1rrz n ASN 36 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rrz s MET 37 N -2.35 3.40 0.00 -3.83 0.23 -1.26 -4.75 119.30 110.74 1rrz s MET 37 Ca -0.19 0.19 0.00 0.00 -1.03 0.00 0.00 55.69 54.65 1rrz s MET 37 Cb 0.06 -4.07 0.00 0.00 -1.53 0.00 0.00 34.83 29.28 1rrz s MET 37 CO 0.45 -1.84 0.31 -0.25 -2.03 0.00 0.00 175.02 171.66 1rrz n ASP 38 N 8.89 0.52 -0.27 -1.18 8.00 -1.26 -4.58 116.55 126.67 1rrz n ASP 38 Ca 0.08 -1.08 -0.04 0.00 0.71 0.00 0.00 54.79 54.46 1rrz n ASP 38 Cb 0.49 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.96 0.00 -1.24 3.07 -1.99 -2.44 114.58 112.94 1rrz h GLU 39 Ca 0.00 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 1rrz h GLU 39 Cb 0.37 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1rrz h GLU 39 CO 0.00 0.64 -1.24 -1.91 -1.40 0.00 0.00 179.01 175.10 1rrz n GLU 40 N -4.58 0.62 0.20 2.33 0.00 -1.26 -3.96 120.64 113.98 1rrz n GLU 40 Ca 0.07 0.12 0.14 0.00 0.00 0.00 0.00 57.16 57.49 1rrz n GLU 40 Cb 0.03 -1.79 0.62 0.00 0.00 0.00 0.00 31.44 30.30 1rrz n GLU 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1rrz h HIS 41 N 0.00 0.00 0.77 4.31 2.76 -1.70 -3.04 115.15 118.24 1rrz h HIS 41 Ca -0.06 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.08 1rrz h HIS 41 Cb 1.18 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 1rrz h HIS 41 CO 0.00 0.00 -0.48 0.00 -1.30 0.00 0.00 177.93 176.15 1rrz h ARG 42 N 0.00 -1.13 -0.02 5.26 2.47 -1.58 0.22 114.38 119.61 1rrz h ARG 42 Ca 0.00 0.08 -0.16 0.00 -1.26 0.00 0.00 59.98 58.63 1rrz h ARG 42 Cb 0.33 0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 1rrz h ARG 42 CO 0.00 -0.75 -0.74 0.00 0.56 0.00 0.00 179.97 179.03 1rrz h THR 43 N -1.17 1.48 0.17 2.04 1.03 -1.84 -2.96 112.91 111.65 1rrz h THR 43 Ca -0.10 -2.40 -0.01 0.00 -0.01 0.00 0.00 66.41 63.89 1rrz h THR 43 Cb 0.94 2.30 0.00 0.00 -1.07 0.00 0.00 68.15 70.32 1rrz h THR 43 CO 0.10 0.70 -0.08 -0.25 -0.01 0.00 0.00 175.52 175.98 1rrz h TRP 44 N 0.08 -0.21 0.00 0.00 2.91 -1.44 -2.65 115.95 114.65 1rrz h TRP 44 Ca -0.02 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 1rrz h TRP 44 Cb 1.31 0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 30.03 1rrz h TRP 44 CO 0.01 0.02 -0.02 0.35 -1.03 0.00 0.00 178.44 177.78 1rrz h PHE 45 N -0.41 0.00 0.79 2.65 3.04 -0.61 -1.18 116.94 121.22 1rrz h PHE 45 Ca -0.02 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 1rrz h PHE 45 Cb 0.32 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 1rrz h PHE 45 CO -0.01 0.02 -0.49 0.00 -2.02 0.00 0.00 178.31 175.80 1rrz h ALA 47 N -1.18 0.98 -0.00 0.00 0.00 -1.56 -2.86 119.26 114.64 1rrz h ALA 47 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rrz h ALA 47 Cb 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1rrz h ALA 47 CO 0.10 0.19 -0.50 0.54 0.00 0.00 0.00 179.25 179.59 1rrz n ARG 48 N -3.25 0.22 0.11 0.00 5.12 -0.46 -3.15 116.66 115.26 1rrz n ARG 48 Ca 0.01 -0.14 -0.10 0.00 -1.93 0.00 0.00 57.85 55.69 1rrz n ARG 48 Cb 0.43 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.17 1rrz n ARG 48 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1rrz h TYR 49 N 0.34 -0.33 -0.67 -1.55 0.05 0.39 -0.28 116.97 114.92 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 0.51 0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 1rrz h TYR 49 CO 0.00 0.01 0.27 0.00 -1.05 0.00 0.00 178.16 177.39 1rrz h ALA 50 N -0.58 0.87 0.44 3.88 0.00 -1.72 0.12 119.26 122.27 1rrz h ALA 50 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1rrz h ALA 50 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rrz h ALA 50 CO 0.06 0.48 -0.31 2.35 0.00 0.00 0.00 179.25 181.83 1rrz h TRP 51 N 0.94 -0.82 -0.68 0.00 7.01 -1.58 -0.85 115.95 119.98 1rrz h TRP 51 Ca 0.22 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.29 1rrz h TRP 51 Cb 0.20 0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 27.52 1rrz h TRP 51 CO 0.01 -0.46 0.45 -0.92 -2.79 0.00 0.00 178.44 174.73 1rrz h TYR 52 N -0.73 0.67 -0.25 2.65 3.20 -0.87 0.21 116.97 121.85 1rrz h TYR 52 Ca -0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1rrz h TYR 52 Cb 0.62 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1rrz h TYR 52 CO -0.13 0.35 0.15 0.00 -1.64 0.00 0.00 178.16 176.89 1rrz h GLN 54 N 0.31 0.19 -0.11 0.00 -0.00 -0.56 -3.01 115.11 111.93 1rrz h GLN 54 Ca 0.09 -0.31 -0.19 0.00 -0.00 0.00 0.00 58.65 58.24 1rrz h GLN 54 Cb 0.02 0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.61 1rrz h GLN 54 CO -0.02 1.14 -0.71 -0.56 -0.00 0.00 0.00 178.83 178.69 1rrz h GLN 55 N 0.05 0.50 -0.04 0.06 -0.00 -0.93 -3.12 115.11 111.63 1rrz h GLN 55 Ca -0.09 -0.39 -0.17 0.00 -0.00 0.00 0.00 58.65 58.00 1rrz h GLN 55 Cb 1.89 0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 29.43 1rrz h GLN 55 CO 0.18 1.02 -0.73 0.52 -0.00 0.00 0.00 178.83 179.82 1rrz h MET 56 N 0.35 0.24 -0.70 0.06 2.86 -1.29 -1.60 114.93 114.85 1rrz h MET 56 Ca -0.03 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1rrz h MET 56 Cb 1.28 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.95 1rrz h MET 56 CO 0.13 0.87 0.46 0.52 1.06 0.00 0.00 176.91 179.95 1rrz h MET 57 N 0.16 0.88 -0.02 1.72 2.86 -1.50 0.11 114.93 119.14 1rrz h MET 57 Ca -0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1rrz h MET 57 Cb 1.29 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1rrz h MET 57 CO 0.11 0.58 -0.10 1.04 1.06 0.00 0.00 176.91 179.61 1rrz n GLN 58 N -4.44 1.89 -0.08 1.72 6.02 -1.17 -4.51 117.38 116.81 1rrz n GLN 58 Ca 0.08 -1.46 -0.10 0.00 -0.01 0.00 0.00 57.00 55.50 1rrz n GLN 58 Cb 0.07 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 1rrz n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rrz n ALA 59 N 0.72 1.19 -3.86 -1.58 0.00 -0.61 -5.03 120.51 111.35 1rrz n ALA 59 Ca 0.14 -0.75 -0.30 0.00 0.00 0.00 0.00 53.44 52.53 1rrz n ALA 59 Cb 0.51 0.08 0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.30 -1.23 0.18 0.00 3.00 0.28 -4.81 116.66 109.78 1rrz n ARG 60 Ca -0.17 0.59 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 1rrz n ARG 60 Cb 0.51 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.62 1rrz n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1rrz n GLU 61 N -3.21 0.00 -0.02 -0.14 0.00 -1.26 -5.00 120.64 111.01 1rrz n GLU 61 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 56.83 1rrz n GLU 61 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 32.05 1rrz n GLU 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1rrz h LEU 62 N 0.00 -0.07 0.00 4.31 7.12 -1.92 -3.47 115.31 121.28 1rrz h LEU 62 Ca 0.00 -0.31 -0.40 0.00 0.13 0.00 0.00 57.88 57.29 1rrz h LEU 62 Cb 0.00 0.02 0.01 0.00 -0.53 0.00 0.00 40.66 40.16 1rrz h LEU 62 CO 0.00 0.56 -0.09 -0.62 -0.13 0.00 0.00 178.44 178.16 1rrz n GLU 63 N -4.79 0.72 -5.08 1.25 -0.58 -1.26 -5.06 120.64 105.83 1rrz n GLU 63 Ca -0.04 -2.55 -0.29 0.00 -0.42 0.00 0.00 57.16 53.85 1rrz n GLU 63 Cb 0.19 -0.09 -0.16 0.00 -0.57 0.00 0.00 31.44 30.81 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 2.00 0.01 -4.62 0.20 -1.26 -4.76 118.68 110.25 1rrz s LEU 64 Ca 0.43 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.80 1rrz s LEU 64 Cb -0.03 -1.22 0.00 0.00 -0.43 0.00 0.00 46.19 44.51 1rrz s LEU 64 CO 0.28 0.19 0.00 1.21 -0.29 0.00 0.00 176.35 177.74 1rrz n GLU 65 N 3.13 0.00 0.00 1.98 2.13 -1.26 -5.15 120.64 121.47 1rrz n GLU 65 Ca -0.18 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.79 1rrz n GLU 65 Cb 0.52 0.00 0.81 0.00 0.27 0.00 0.00 31.44 33.05 1rrz n GLU 65 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30