#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rzr s GLN 3 N 0.00 0.61 -0.26 0.00 0.74 -1.26 0.17 119.66 119.66 1rzr s GLN 3 Ca 0.00 -0.76 -0.26 0.00 0.05 0.00 0.00 55.36 54.38 1rzr s GLN 3 Cb 0.00 0.24 0.14 0.00 1.10 0.00 0.00 33.01 34.49 1rzr s GLN 3 CO 0.00 -0.16 1.14 0.21 -0.55 0.00 0.00 175.29 175.93 1rzr s LYS 4 N -2.71 0.39 -0.12 1.67 2.47 -0.60 -5.00 119.74 115.85 1rzr s LYS 4 Ca -0.04 0.35 0.02 0.00 -1.56 0.00 0.00 55.97 54.73 1rzr s LYS 4 Cb -0.01 0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.55 1rzr s LYS 4 CO -0.05 -0.07 -0.19 0.99 0.16 0.00 0.00 175.35 176.19 1rzr s THR 5 N -0.19 2.52 0.41 3.43 2.01 -1.26 -1.45 115.64 121.11 1rzr s THR 5 Ca 0.03 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1rzr s THR 5 Cb -0.04 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1rzr s THR 5 CO -0.07 0.54 0.07 -0.36 -0.69 0.00 0.00 174.62 174.11 1rzr s PHE 6 N 0.40 1.93 -0.18 4.92 0.40 -0.70 -5.00 117.98 119.74 1rzr s PHE 6 Ca -0.14 -1.06 -0.00 0.00 -0.60 0.00 0.00 56.93 55.12 1rzr s PHE 6 Cb -0.17 -1.36 0.05 0.00 0.51 0.00 0.00 43.02 42.05 1rzr s PHE 6 CO 0.07 -0.02 -0.05 0.95 0.70 0.00 0.00 175.22 176.87 1rzr s THR 7 N -3.10 1.15 0.18 0.64 -4.23 -1.22 -1.68 115.64 107.37 1rzr s THR 7 Ca 0.24 -0.75 -0.31 0.00 -1.18 0.00 0.00 61.69 59.69 1rzr s THR 7 Cb 0.05 -1.37 -0.10 0.00 1.34 0.00 0.00 72.50 72.42 1rzr s THR 7 CO 0.12 0.05 1.55 0.68 -0.54 0.00 0.00 174.62 176.49 1rzr s VAL 8 N 1.60 2.60 0.00 2.29 -7.23 -0.64 -3.27 120.40 115.75 1rzr s VAL 8 Ca -0.01 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1rzr s VAL 8 Cb -0.16 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.50 1rzr s VAL 8 CO -0.07 0.04 0.55 1.07 -0.31 0.00 0.00 175.10 176.38 1rzr n THR 9 N 3.68 0.13 -2.86 5.32 5.66 0.19 -0.05 114.28 126.35 1rzr n THR 9 Ca 0.13 -0.55 -0.35 0.00 -3.05 0.00 0.00 64.05 60.23 1rzr n THR 9 Cb 0.39 0.96 -0.07 0.00 -1.55 0.00 0.00 70.33 70.06 1rzr n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rzr s ALA 10 N -0.13 3.17 -1.19 1.79 0.00 -1.11 -4.86 121.76 119.43 1rzr s ALA 10 Ca 0.00 0.39 0.14 0.00 0.00 0.00 0.00 51.96 52.49 1rzr s ALA 10 Cb 0.00 -3.09 0.64 0.00 0.00 0.00 0.00 23.12 20.66 1rzr s ALA 10 CO 0.00 0.19 1.41 -0.25 0.00 0.00 0.00 175.76 177.10 1rzr n ASP 11 N 0.02 0.00 -0.00 0.00 9.92 -1.26 -2.22 116.55 123.01 1rzr n ASP 11 Ca 0.04 0.31 0.08 0.00 -0.53 0.00 0.00 54.79 54.69 1rzr n ASP 11 Cb 0.52 -0.40 -0.11 0.00 -0.64 0.00 0.00 41.12 40.49 1rzr n ASP 11 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1rzr n SER 12 N -1.40 0.83 0.00 -2.24 7.64 -1.26 -4.71 113.62 112.48 1rzr n SER 12 Ca 0.05 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1rzr n SER 12 Cb 0.14 1.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 1rzr n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rzr n GLY 13 N 1.42 0.08 3.50 0.23 0.00 -0.94 -3.88 105.19 105.61 1rzr n GLY 13 Ca 0.02 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 1rzr n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rzr s ILE 14 N 0.00 4.72 0.34 -0.61 1.01 -1.18 -4.85 121.20 120.63 1rzr s ILE 14 Ca 0.00 -2.32 0.05 0.00 0.00 0.00 0.00 60.65 58.38 1rzr s ILE 14 Cb 0.00 -4.99 -0.02 0.00 0.01 0.00 0.00 42.46 37.46 1rzr s ILE 14 CO 0.00 -1.75 0.35 1.41 0.00 0.00 0.00 174.94 174.96 1rzr n HIS 15 N 6.59 -1.01 -0.06 3.97 8.25 -1.25 -4.73 115.22 126.98 1rzr n HIS 15 Ca 0.40 -2.71 0.00 0.00 -0.26 0.00 0.00 57.72 55.14 1rzr n HIS 15 Cb 0.44 0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1rzr n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rzr n ALA 16 N -0.67 0.00 -0.07 -1.41 0.00 -1.26 -1.80 120.51 115.30 1rzr n ALA 16 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1rzr n ALA 16 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1rzr n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rzr h ARG 17 N 0.00 -0.22 -0.85 0.00 3.08 -2.00 -2.32 114.38 112.08 1rzr h ARG 17 Ca 0.00 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.21 1rzr h ARG 17 Cb 0.00 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 29.96 1rzr h ARG 17 CO 0.00 -0.15 -0.29 -2.30 -1.07 0.00 0.00 179.97 176.17 1rzr n PRO 18 N -5.39 -0.15 -0.04 0.04 -0.02 -1.10 0.11 135.00 128.44 1rzr n PRO 18 Ca -0.00 1.31 -0.06 0.00 -2.02 0.00 0.00 63.50 62.73 1rzr n PRO 18 Cb 0.30 -1.95 0.14 0.00 -0.02 0.00 0.00 33.50 31.97 1rzr n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rzr h ALA 19 N 1.37 0.97 -0.24 3.55 0.00 -0.80 -1.65 119.26 122.45 1rzr h ALA 19 Ca 0.34 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1rzr h ALA 19 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rzr h ALA 19 CO -0.85 0.60 -0.21 1.79 0.00 0.00 0.00 179.25 180.57 1rzr h THR 20 N 0.56 1.31 0.00 0.00 1.35 0.10 -0.26 112.91 115.98 1rzr h THR 20 Ca 0.08 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1rzr h THR 20 Cb 0.71 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1rzr h THR 20 CO 0.05 0.43 0.00 0.74 -0.25 0.00 0.00 175.52 176.49 1rzr h THR 21 N 0.29 0.00 0.01 6.82 2.02 -0.00 0.61 112.91 122.65 1rzr h THR 21 Ca 0.04 -0.12 -0.20 0.00 0.77 0.00 0.00 66.41 66.90 1rzr h THR 21 Cb 0.76 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1rzr h THR 21 CO 0.05 0.00 -1.09 0.25 0.37 0.00 0.00 175.52 175.10 1rzr h LEU 22 N 0.00 0.02 0.85 2.58 5.85 -0.89 -2.46 115.31 121.27 1rzr h LEU 22 Ca 0.00 -0.61 -0.04 0.00 0.84 0.00 0.00 57.88 58.08 1rzr h LEU 22 Cb 0.16 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1rzr h LEU 22 CO 0.00 1.43 -0.49 0.58 -0.34 0.00 0.00 178.44 179.62 1rzr h VAL 23 N -0.95 0.00 -0.79 1.05 2.07 -0.58 0.47 116.25 117.52 1rzr h VAL 23 Ca -0.30 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.35 1rzr h VAL 23 Cb 1.29 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.93 1rzr h VAL 23 CO -0.16 0.00 -0.36 1.56 0.02 0.00 0.00 177.57 178.63 1rzr h GLN 24 N -1.25 -0.08 -0.61 1.57 4.20 0.04 2.28 115.11 121.26 1rzr h GLN 24 Ca -0.12 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.75 1rzr h GLN 24 Cb 0.99 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1rzr h GLN 24 CO 0.14 -0.05 0.43 0.00 -0.67 0.00 0.00 178.83 178.67 1rzr h ALA 25 N 1.19 2.37 -0.61 3.87 0.00 -0.88 0.22 119.26 125.42 1rzr h ALA 25 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1rzr h ALA 25 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rzr h ALA 25 CO -0.83 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 177.87 1rzr n ALA 26 N -2.60 2.78 0.55 0.00 0.00 0.70 -4.14 120.51 117.80 1rzr n ALA 26 Ca 0.11 -1.51 0.07 0.00 0.00 0.00 0.00 53.44 52.11 1rzr n ALA 26 Cb 0.58 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.19 1rzr n ALA 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rzr n SER 27 N 1.09 2.09 -1.56 0.00 7.64 0.27 -4.34 113.62 118.81 1rzr n SER 27 Ca 0.23 -1.54 0.09 0.00 1.01 0.00 0.00 58.87 58.66 1rzr n SER 27 Cb 0.76 0.02 0.35 0.00 -1.01 0.00 0.00 64.21 64.33 1rzr n SER 27 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1rzr n LYS 28 N 0.72 3.86 -5.08 1.43 2.85 -1.17 -4.92 118.16 115.85 1rzr n LYS 28 Ca 0.08 -2.91 -0.29 0.00 -1.05 0.00 0.00 58.31 54.14 1rzr n LYS 28 Cb 0.33 -1.93 -0.16 0.00 -0.65 0.00 0.00 35.03 32.62 1rzr n LYS 28 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1rzr s PHE 29 N -2.03 2.09 -0.01 5.58 0.08 -1.26 -5.04 117.98 117.39 1rzr s PHE 29 Ca 0.50 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.95 1rzr s PHE 29 Cb 0.34 -1.33 -0.26 0.00 -0.57 0.00 0.00 43.02 41.20 1rzr s PHE 29 CO 0.22 -0.00 1.03 -0.44 -0.10 0.00 0.00 175.22 175.92 1rzr h ASP 30 N 5.40 0.51 -2.73 1.36 3.32 -1.94 -3.46 116.42 118.88 1rzr h ASP 30 Ca -0.42 -0.83 -0.59 0.00 0.02 0.00 0.00 57.03 55.21 1rzr h ASP 30 Cb 1.13 -0.16 0.16 0.00 0.22 0.00 0.00 39.33 40.69 1rzr h ASP 30 CO 0.47 1.28 -0.42 -1.54 -1.72 0.00 0.00 179.24 177.31 1rzr n SER 31 N -4.19 -1.05 -4.73 6.45 3.41 -1.26 -4.91 113.62 107.35 1rzr n SER 31 Ca -0.12 0.80 -0.30 0.00 -0.26 0.00 0.00 58.87 58.99 1rzr n SER 31 Cb 0.73 -1.14 0.13 0.00 -0.26 0.00 0.00 64.21 63.66 1rzr n SER 31 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1rzr s ASP 32 N -1.07 3.67 -0.28 4.04 1.01 -0.35 -4.77 116.67 118.91 1rzr s ASP 32 Ca 0.66 1.57 -0.22 0.00 0.71 0.00 0.00 52.55 55.27 1rzr s ASP 32 Cb -0.50 -2.25 0.09 0.00 1.01 0.00 0.00 42.92 41.27 1rzr s ASP 32 CO 0.56 -2.53 0.80 -0.63 0.21 0.00 0.00 175.17 173.58 1rzr s ILE 33 N -2.92 0.00 -0.08 0.77 1.01 -1.26 -1.27 121.20 117.45 1rzr s ILE 33 Ca 0.63 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.13 1rzr s ILE 33 Cb -0.18 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.32 1rzr s ILE 33 CO 0.57 0.00 0.36 0.54 0.00 0.00 0.00 174.94 176.41 1rzr s ASN 34 N 0.74 -0.31 -0.16 3.58 2.20 -0.88 -2.08 114.94 118.03 1rzr s ASN 34 Ca -0.03 0.44 -0.05 0.00 -0.94 0.00 0.00 52.86 52.29 1rzr s ASN 34 Cb -0.05 0.55 -0.03 0.00 -2.00 0.00 0.00 41.25 39.72 1rzr s ASN 34 CO -0.07 -0.30 -0.01 -0.22 -2.94 0.00 0.00 177.10 173.56 1rzr s LEU 35 N -0.58 3.41 0.12 3.54 0.20 0.38 -2.19 118.68 123.56 1rzr s LEU 35 Ca -0.07 -0.06 0.08 0.00 0.69 0.00 0.00 54.13 54.77 1rzr s LEU 35 Cb -0.04 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 1rzr s LEU 35 CO 0.03 0.18 -0.13 -1.83 -0.29 0.00 0.00 176.35 174.31 1rzr s GLU 36 N 0.30 1.97 -0.30 1.98 -1.05 -0.56 -0.45 118.70 120.60 1rzr s GLU 36 Ca -0.02 -1.12 -0.16 0.00 -0.15 0.00 0.00 54.97 53.52 1rzr s GLU 36 Cb -0.14 -2.21 0.20 0.00 -0.44 0.00 0.00 34.13 31.55 1rzr s GLU 36 CO 0.02 0.49 1.22 0.12 0.95 0.00 0.00 175.26 178.06 1rzr s PHE 37 N -1.25 -0.15 -1.80 4.83 2.19 0.21 -2.51 117.98 119.50 1rzr s PHE 37 Ca 0.20 0.29 0.00 0.00 0.33 0.00 0.00 56.93 57.76 1rzr s PHE 37 Cb -0.11 0.09 0.00 0.00 -1.31 0.00 0.00 43.02 41.69 1rzr s PHE 37 CO 0.12 -0.07 0.00 -1.71 1.83 0.00 0.00 175.22 175.39 1rzr n ASN 38 N 3.31 -5.34 0.00 6.13 2.85 -1.26 -2.52 115.26 118.42 1rzr n ASN 38 Ca -0.16 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1rzr n ASN 38 Cb 0.56 -4.57 0.00 0.00 1.24 0.00 0.00 39.78 37.01 1rzr n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rzr n GLY 39 N -0.73 2.25 3.87 8.20 0.00 -1.26 -5.07 105.19 112.45 1rzr n GLY 39 Ca -0.21 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1rzr n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rzr s LYS 40 N 0.00 3.79 -0.01 1.61 1.02 -1.05 -5.09 119.74 120.01 1rzr s LYS 40 Ca 0.00 0.24 0.04 0.00 0.02 0.00 0.00 55.97 56.27 1rzr s LYS 40 Cb 0.00 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1rzr s LYS 40 CO 0.00 0.35 -0.14 0.95 -0.92 0.00 0.00 175.35 175.59 1rzr s THR 41 N -1.76 1.12 0.07 2.17 -4.23 -1.26 0.65 115.64 112.39 1rzr s THR 41 Ca 0.45 -0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1rzr s THR 41 Cb -0.12 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 1rzr s THR 41 CO 0.21 0.32 0.06 0.68 -0.54 0.00 0.00 174.62 175.35 1rzr s VAL 42 N -0.26 0.19 -0.07 2.29 -7.23 0.41 -4.97 120.40 110.76 1rzr s VAL 42 Ca 0.04 -1.55 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1rzr s VAL 42 Cb -0.06 -1.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 1rzr s VAL 42 CO -0.00 -0.86 1.68 0.21 -0.31 0.00 0.00 175.10 175.83 1rzr s ASN 43 N -2.89 6.60 0.00 4.85 3.84 -1.26 -0.47 114.94 125.61 1rzr s ASN 43 Ca 0.06 2.20 0.05 0.00 0.21 0.00 0.00 52.86 55.38 1rzr s ASN 43 Cb 0.07 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.55 1rzr s ASN 43 CO -0.10 -0.99 0.94 -0.11 -2.79 0.00 0.00 177.10 174.05 1rzr n LEU 44 N 7.38 0.00 -3.47 3.21 -0.00 -0.89 -4.42 117.00 118.80 1rzr n LEU 44 Ca 0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.80 1rzr n LEU 44 Cb 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.86 1rzr n LEU 44 CO 0.63 0.00 1.23 0.29 -0.00 0.00 0.00 177.39 179.54 1rzr n LYS 45 N -0.62 4.93 0.00 1.96 5.02 -1.26 -4.44 118.16 123.75 1rzr n LYS 45 Ca 0.04 -4.63 0.00 0.00 -2.02 0.00 0.00 58.31 51.70 1rzr n LYS 45 Cb 0.02 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1rzr n LYS 45 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1rzr n ILE 47 N -0.12 0.00 0.11 -0.18 2.08 -1.26 -4.96 119.36 115.03 1rzr n ILE 47 Ca 0.45 0.00 -0.20 0.00 0.56 0.00 0.00 62.75 63.56 1rzr n ILE 47 Cb 0.28 -0.07 -0.15 0.00 -0.75 0.00 0.00 39.64 38.96 1rzr n ILE 47 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 1rzr h MET 48 N 0.00 0.37 0.72 0.38 2.86 -1.97 -3.22 114.93 114.07 1rzr h MET 48 Ca 0.00 -0.63 -0.04 0.00 -2.06 0.00 0.00 59.70 56.98 1rzr h MET 48 Cb 0.09 0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1rzr h MET 48 CO 0.00 1.28 -0.35 0.78 1.06 0.00 0.00 176.91 179.68 1rzr h GLY 49 N 1.06 -1.01 0.19 8.32 0.00 -1.98 -3.23 103.07 106.42 1rzr h GLY 49 Ca -0.22 0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.53 1rzr h GLY 49 CO 0.22 -0.37 -0.33 -2.08 0.00 0.00 0.00 176.54 173.98 1rzr h VAL 50 N -1.22 0.28 0.00 4.60 2.07 -1.77 -1.21 116.25 119.00 1rzr h VAL 50 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1rzr h VAL 50 Cb 0.76 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1rzr h VAL 50 CO 0.16 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.98 1rzr n MET 51 N -5.41 0.54 -0.06 1.57 2.81 -1.21 -2.31 117.12 113.04 1rzr n MET 51 Ca -0.04 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.64 1rzr n MET 51 Cb 0.33 -1.12 -0.13 0.00 -0.71 0.00 0.00 33.22 31.59 1rzr n MET 51 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1rzr n SER 52 N -0.19 2.04 -0.23 7.83 7.64 -0.46 -4.35 113.62 125.90 1rzr n SER 52 Ca 0.00 0.13 0.22 0.00 1.01 0.00 0.00 58.87 60.22 1rzr n SER 52 Cb 0.06 -0.73 0.56 0.00 -1.01 0.00 0.00 64.21 63.09 1rzr n SER 52 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rzr h LEU 53 N -0.15 0.31 0.09 -3.43 3.38 -1.52 -3.45 115.31 110.54 1rzr h LEU 53 Ca -0.49 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1rzr h LEU 53 Cb 1.88 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1rzr h LEU 53 CO -0.04 0.12 -0.03 0.61 0.09 0.00 0.00 178.44 179.18 1rzr n GLY 54 N -1.56 0.54 3.32 0.83 0.00 -1.26 -4.92 105.19 102.13 1rzr n GLY 54 Ca 0.20 -0.46 -0.59 0.00 0.00 0.00 0.00 46.02 45.16 1rzr n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rzr n ILE 55 N -2.86 0.03 -2.64 -0.61 5.41 -1.26 -4.96 119.36 112.47 1rzr n ILE 55 Ca -0.02 -0.03 -0.15 0.00 1.00 0.00 0.00 62.75 63.55 1rzr n ILE 55 Cb 0.10 -0.66 0.07 0.00 -0.71 0.00 0.00 39.64 38.44 1rzr n ILE 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rzr n GLN 56 N 7.33 0.31 -1.08 0.38 3.00 -1.26 -3.12 117.38 122.93 1rzr n GLN 56 Ca 0.51 -1.88 -0.30 0.00 -0.01 0.00 0.00 57.00 55.32 1rzr n GLN 56 Cb -0.00 -0.36 0.15 0.00 0.00 0.00 0.00 30.24 30.03 1rzr n GLN 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1rzr s LYS 57 N -4.06 1.07 0.00 -1.09 0.00 -1.26 -2.95 119.74 111.45 1rzr s LYS 57 Ca 0.43 0.94 0.00 0.00 0.00 0.00 0.00 55.97 57.34 1rzr s LYS 57 Cb -0.03 -1.78 0.00 0.00 0.00 0.00 0.00 37.83 36.02 1rzr s LYS 57 CO 0.28 -2.40 0.00 0.41 0.00 0.00 0.00 175.35 173.64 1rzr n GLY 58 N -0.77 0.26 3.78 0.59 0.00 0.93 -4.93 105.19 105.06 1rzr n GLY 58 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1rzr n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rzr s ALA 59 N -1.47 2.52 -0.11 4.61 0.00 -1.15 -4.78 121.76 121.38 1rzr s ALA 59 Ca 0.00 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 1rzr s ALA 59 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1rzr s ALA 59 CO 0.00 -1.23 -0.10 -0.08 0.00 0.00 0.00 175.76 174.36 1rzr s THR 60 N -2.49 3.38 0.09 0.00 -1.32 -1.26 -1.61 115.64 112.43 1rzr s THR 60 Ca 0.65 -0.56 0.02 0.00 -1.21 0.00 0.00 61.69 60.59 1rzr s THR 60 Cb -0.19 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 1rzr s THR 60 CO 0.43 0.54 -0.07 0.27 -2.21 0.00 0.00 174.62 173.58 1rzr s ILE 61 N -0.08 0.73 -0.13 5.08 -4.36 -0.68 -4.65 121.20 117.12 1rzr s ILE 61 Ca -0.01 -1.80 -0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1rzr s ILE 61 Cb -0.14 -1.52 0.02 0.00 1.25 0.00 0.00 42.46 42.08 1rzr s ILE 61 CO 0.03 -0.77 -0.11 -0.89 0.24 0.00 0.00 174.94 173.45 1rzr s THR 62 N -3.19 1.28 -0.18 8.37 2.01 -1.05 -1.72 115.64 121.16 1rzr s THR 62 Ca 0.09 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 1rzr s THR 62 Cb 0.02 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1rzr s THR 62 CO -0.03 0.41 0.30 -0.63 -0.69 0.00 0.00 174.62 173.98 1rzr s ILE 63 N 1.60 5.29 -0.11 1.82 1.09 -0.53 -1.49 121.20 128.86 1rzr s ILE 63 Ca 0.05 0.55 -0.00 0.00 -1.10 0.00 0.00 60.65 60.14 1rzr s ILE 63 Cb -0.13 -3.64 0.02 0.00 -1.06 0.00 0.00 42.46 37.66 1rzr s ILE 63 CO -0.09 0.35 -0.08 -0.94 -0.10 0.00 0.00 174.94 174.08 1rzr s SER 64 N 0.68 2.12 0.08 3.58 1.04 -0.93 -1.56 113.70 118.71 1rzr s SER 64 Ca 0.16 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.36 1rzr s SER 64 Cb -0.13 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.13 1rzr s SER 64 CO 0.05 -0.11 -0.07 0.00 0.98 0.00 0.00 173.24 174.08 1rzr s ALA 65 N 1.65 3.04 -0.29 5.32 0.00 0.45 -2.06 121.76 129.86 1rzr s ALA 65 Ca 0.04 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1rzr s ALA 65 Cb -0.13 -1.01 0.18 0.00 0.00 0.00 0.00 23.12 22.16 1rzr s ALA 65 CO -0.07 0.65 0.50 -1.83 0.00 0.00 0.00 175.76 175.00 1rzr s GLU 66 N -2.05 0.48 0.00 0.00 -1.05 -0.40 -4.20 118.70 111.48 1rzr s GLU 66 Ca 0.21 0.43 0.00 0.00 -0.15 0.00 0.00 54.97 55.46 1rzr s GLU 66 Cb -0.11 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 1rzr s GLU 66 CO 0.13 -0.96 0.00 0.41 0.95 0.00 0.00 175.26 175.79 1rzr n GLY 67 N 5.39 -1.72 0.34 -3.83 0.00 -1.26 -1.22 105.19 102.89 1rzr n GLY 67 Ca 0.02 -1.10 0.18 0.00 0.00 0.00 0.00 46.02 45.11 1rzr n GLY 67 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rzr h SER 68 N 0.00 0.00 0.00 1.61 4.64 -1.96 0.48 113.55 118.32 1rzr h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rzr h SER 68 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rzr h SER 68 CO 0.00 0.00 -1.17 0.47 -0.87 0.00 0.00 176.83 175.26 1rzr n ASP 69 N -3.55 0.79 -0.02 4.97 9.92 -1.26 -4.68 116.55 122.73 1rzr n ASP 69 Ca 0.00 -0.74 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 1rzr n ASP 69 Cb 0.30 1.22 0.01 0.00 -0.64 0.00 0.00 41.12 42.01 1rzr n ASP 69 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1rzr n GLU 70 N -1.64 -0.01 0.00 -1.24 2.13 0.16 -1.09 120.64 118.95 1rzr n GLU 70 Ca 0.02 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1rzr n GLU 70 Cb 0.36 -0.15 0.00 0.00 0.27 0.00 0.00 31.44 31.92 1rzr n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rzr n ALA 71 N -3.94 0.00 -0.20 4.31 0.00 -1.26 -2.89 120.51 116.53 1rzr n ALA 71 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.64 1rzr n ALA 71 Cb 0.03 0.08 0.54 0.00 0.00 0.00 0.00 19.45 20.11 1rzr n ALA 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rzr h ASP 72 N 0.00 0.34 -0.95 0.00 5.19 -1.60 -0.80 116.42 118.60 1rzr h ASP 72 Ca 0.00 0.03 0.27 0.00 -0.62 0.00 0.00 57.03 56.71 1rzr h ASP 72 Cb 0.00 -0.04 -0.17 0.00 0.18 0.00 0.00 39.33 39.31 1rzr h ASP 72 CO 0.00 0.15 0.14 0.00 -3.12 0.00 0.00 179.24 176.41 1rzr h ALA 73 N 1.62 1.30 0.16 3.45 0.00 -1.00 0.18 119.26 124.97 1rzr h ALA 73 Ca 0.42 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 1rzr h ALA 73 Cb 1.11 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1rzr h ALA 73 CO -0.13 -0.58 -0.08 -0.07 0.00 0.00 0.00 179.25 178.39 1rzr h LEU 74 N 0.07 -0.18 -0.50 0.00 3.38 -1.00 -2.62 115.31 114.45 1rzr h LEU 74 Ca 0.61 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.37 1rzr h LEU 74 Cb 1.30 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.02 1rzr h LEU 74 CO -0.82 0.24 0.04 0.00 0.09 0.00 0.00 178.44 177.99 1rzr h ALA 75 N 0.10 0.51 0.16 1.53 0.00 -1.08 0.24 119.26 120.72 1rzr h ALA 75 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1rzr h ALA 75 Cb 0.47 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1rzr h ALA 75 CO 0.04 -0.36 -0.39 0.00 0.00 0.00 0.00 179.25 178.54 1rzr h ALA 76 N 1.43 -0.71 0.00 0.00 0.00 -0.74 -1.28 119.26 117.95 1rzr h ALA 76 Ca 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1rzr h ALA 76 Cb 0.37 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1rzr h ALA 76 CO -0.39 -0.96 -0.24 -0.07 0.00 0.00 0.00 179.25 177.59 1rzr h LEU 77 N -0.65 0.00 -0.13 0.00 3.38 -1.06 -2.49 115.31 114.36 1rzr h LEU 77 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1rzr h LEU 77 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1rzr h LEU 77 CO -0.21 0.24 0.02 -0.08 0.09 0.00 0.00 178.44 178.50 1rzr h GLU 78 N 0.00 0.21 0.26 1.13 4.81 -0.43 -0.40 114.58 120.17 1rzr h GLU 78 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1rzr h GLU 78 Cb 0.60 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1rzr h GLU 78 CO 0.03 0.42 -0.52 -0.44 -0.73 0.00 0.00 179.01 177.77 1rzr h ASP 79 N -0.02 -1.51 -0.55 1.04 3.45 -0.95 0.43 116.42 118.31 1rzr h ASP 79 Ca 0.04 0.15 0.15 0.00 0.43 0.00 0.00 57.03 57.79 1rzr h ASP 79 Cb 0.31 0.54 -0.02 0.00 -0.56 0.00 0.00 39.33 39.59 1rzr h ASP 79 CO 0.00 -0.60 0.39 0.74 -1.57 0.00 0.00 179.24 178.20 1rzr h THR 80 N -0.85 0.75 -0.12 0.35 2.02 -1.44 1.77 112.91 115.39 1rzr h THR 80 Ca -0.03 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1rzr h THR 80 Cb 0.80 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1rzr h THR 80 CO -0.20 0.01 -0.06 -0.03 0.37 0.00 0.00 175.52 175.61 1rzr h MET 81 N 0.06 0.26 0.60 6.66 1.85 -0.30 -1.41 114.93 122.64 1rzr h MET 81 Ca 0.26 -0.11 -0.03 0.00 -0.61 0.00 0.00 59.70 59.21 1rzr h MET 81 Cb 0.95 -0.01 0.01 0.00 0.43 0.00 0.00 31.60 32.98 1rzr h MET 81 CO -0.02 0.59 -0.29 1.03 -0.40 0.00 0.00 176.91 177.83 1rzr h SER 82 N -0.08 -0.68 0.33 1.39 0.87 0.18 -0.80 113.55 114.75 1rzr h SER 82 Ca 0.03 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1rzr h SER 82 Cb 0.52 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1rzr h SER 82 CO 0.02 -0.30 -0.10 0.07 -0.53 0.00 0.00 176.83 175.99 1rzr h LYS 83 N -1.17 0.00 -0.01 2.24 2.10 0.23 0.22 116.57 120.19 1rzr h LYS 83 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1rzr h LYS 83 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1rzr h LYS 83 CO 0.13 0.10 -0.19 0.39 -2.00 0.00 0.00 179.45 177.88 1rzr n GLU 84 N -3.62 0.89 -3.98 0.07 -0.58 -0.53 -4.96 120.64 107.92 1rzr n GLU 84 Ca -0.02 -0.48 -0.29 0.00 -0.42 0.00 0.00 57.16 55.95 1rzr n GLU 84 Cb 0.22 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1rzr n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rzr n GLY 85 N 1.30 -0.37 0.09 0.62 0.00 0.78 -4.88 105.19 102.72 1rzr n GLY 85 Ca 0.14 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 1rzr n GLY 85 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1rzr n LEU 86 N -4.46 1.95 -4.07 0.99 -0.00 -0.42 -4.24 117.00 106.75 1rzr n LEU 86 Ca -0.10 -0.07 -0.17 0.00 -0.00 0.00 0.00 56.01 55.67 1rzr n LEU 86 Cb 0.58 -0.30 -0.13 0.00 -0.00 0.00 0.00 43.42 43.57 1rzr n LEU 86 CO 0.77 0.66 -0.43 -0.83 -0.00 0.00 0.00 177.39 177.56 1rzr s GLY 87 N -5.45 0.58 0.00 1.47 0.00 -1.12 0.54 107.32 103.33 1rzr s GLY 87 Ca -0.19 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1rzr s GLY 87 CO 0.49 -0.64 0.00 1.18 0.00 0.00 0.00 173.10 174.13