#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rzr n GLN 3 N 0.00 -0.99 -3.56 0.00 10.64 -1.26 0.14 117.38 122.35 1rzr n GLN 3 Ca 0.00 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.10 1rzr n GLN 3 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 1rzr n GLN 3 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1rzr s LYS 4 N -2.00 0.54 -0.18 2.61 2.20 -0.49 -5.00 119.74 117.43 1rzr s LYS 4 Ca 0.00 -0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 55.44 1rzr s LYS 4 Cb 0.00 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1rzr s LYS 4 CO 0.00 -0.23 -0.10 0.99 -0.36 0.00 0.00 175.35 175.65 1rzr s THR 5 N -2.50 3.03 0.06 3.43 2.01 -1.26 -1.37 115.64 119.02 1rzr s THR 5 Ca 0.06 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.49 1rzr s THR 5 Cb -0.01 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1rzr s THR 5 CO -0.06 0.48 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.86 1rzr s PHE 6 N 1.01 2.68 -0.67 4.92 0.40 0.02 -4.93 117.98 121.40 1rzr s PHE 6 Ca -0.01 -0.18 -0.19 0.00 -0.60 0.00 0.00 56.93 55.95 1rzr s PHE 6 Cb -0.15 -1.48 0.11 0.00 0.51 0.00 0.00 43.02 42.02 1rzr s PHE 6 CO -0.01 0.34 0.81 0.95 0.70 0.00 0.00 175.22 178.01 1rzr s THR 7 N -1.04 4.80 -0.21 0.64 -4.23 -1.26 -1.42 115.64 112.91 1rzr s THR 7 Ca 0.17 -1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 59.28 1rzr s THR 7 Cb -0.11 -4.56 -0.04 0.00 1.34 0.00 0.00 72.50 69.13 1rzr s THR 7 CO 0.08 -1.23 1.87 0.54 -0.54 0.00 0.00 174.62 175.35 1rzr s VAL 8 N 2.67 3.36 -0.52 2.29 0.11 -0.22 -3.56 120.40 124.53 1rzr s VAL 8 Ca 0.17 0.39 0.07 0.00 -2.93 0.00 0.00 61.98 59.68 1rzr s VAL 8 Cb -0.19 -3.41 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1rzr s VAL 8 CO 0.03 -0.21 0.44 1.07 -3.33 0.00 0.00 175.10 173.10 1rzr n THR 9 N 6.92 0.00 -2.29 5.04 5.66 0.15 0.23 114.28 129.99 1rzr n THR 9 Ca 0.23 -0.40 -0.42 0.00 -3.05 0.00 0.00 64.05 60.41 1rzr n THR 9 Cb 0.45 1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 70.25 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 -1.28 3.52 0.25 1.79 0.00 -1.22 -4.73 121.76 120.10 1rzr s ALA 10 Ca 0.05 0.90 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1rzr s ALA 10 Cb 0.05 -3.53 0.67 0.00 0.00 0.00 0.00 23.12 20.31 1rzr s ALA 10 CO 0.21 -0.70 1.24 -0.25 0.00 0.00 0.00 175.76 176.26 1rzr n ASP 11 N 4.63 -0.04 -0.36 0.00 9.92 -1.26 0.17 116.55 129.62 1rzr n ASP 11 Ca 0.11 1.33 0.14 0.00 -0.53 0.00 0.00 54.79 55.85 1rzr n ASP 11 Cb 0.44 -0.51 0.63 0.00 -0.64 0.00 0.00 41.12 41.04 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 -5.07 1.12 0.00 -2.24 7.64 -1.26 -4.23 113.62 109.58 1rzr n SER 12 Ca 0.20 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.72 1rzr n SER 12 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 1.13 2.48 3.35 0.23 0.00 0.45 -3.49 105.19 109.35 1rzr n GLY 13 Ca 0.20 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 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 5.92 0.26 -0.61 1.01 -1.11 -4.78 121.20 121.89 1rzr s ILE 14 Ca 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 60.65 57.30 1rzr s ILE 14 Cb 0.00 -4.61 -0.02 0.00 0.01 0.00 0.00 42.46 37.84 1rzr s ILE 14 CO 0.00 -1.20 0.33 -1.00 0.00 0.00 0.00 174.94 173.07 1rzr s HIS 15 N -0.99 0.96 0.00 3.97 3.76 -1.23 -4.54 115.29 117.22 1rzr s HIS 15 Ca 0.30 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1rzr s HIS 15 Cb -0.10 -0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.35 1rzr s HIS 15 CO -0.08 -0.88 0.00 0.00 -0.85 0.00 0.00 174.74 172.93 1rzr n ALA 16 N -0.41 0.00 -0.32 -1.40 0.00 -1.26 -1.48 120.51 115.65 1rzr n ALA 16 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1rzr n ALA 16 Cb 0.63 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.31 1rzr n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1rzr h ARG 17 N 0.00 0.78 0.30 0.00 2.43 -2.00 0.25 114.38 116.14 1rzr h ARG 17 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1rzr h ARG 17 Cb 0.00 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1rzr h ARG 17 CO 0.00 0.51 -0.30 -1.35 -1.51 0.00 0.00 179.97 177.32 1rzr h PRO 18 N 0.80 -0.58 -0.61 0.20 0.11 -1.93 -2.92 132.00 127.07 1rzr h PRO 18 Ca 0.47 0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.74 1rzr h PRO 18 Cb 0.54 0.13 -0.12 0.00 0.11 0.00 0.00 31.00 31.67 1rzr h PRO 18 CO -0.30 -0.39 -0.15 0.00 -0.21 0.00 0.00 178.00 176.95 1rzr h ALA 19 N -1.26 0.41 0.00 -0.75 0.00 -0.63 0.39 119.26 117.42 1rzr h ALA 19 Ca -0.04 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rzr h ALA 19 Cb 0.52 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rzr h ALA 19 CO -0.04 -0.43 0.16 1.15 0.00 0.00 0.00 179.25 180.10 1rzr h THR 20 N 0.00 0.00 0.14 0.00 2.02 -0.82 -1.09 112.91 113.16 1rzr h THR 20 Ca 0.29 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 67.13 1rzr h THR 20 Cb 0.45 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1rzr h THR 20 CO -0.63 0.00 -1.83 0.74 0.37 0.00 0.00 175.52 174.17 1rzr h THR 21 N 0.00 0.78 -0.78 3.16 2.02 -0.74 -3.06 112.91 114.29 1rzr h THR 21 Ca 0.00 -2.40 0.06 0.00 0.77 0.00 0.00 66.41 64.84 1rzr h THR 21 Cb 0.31 2.61 -0.05 0.00 -1.74 0.00 0.00 68.15 69.28 1rzr h THR 21 CO 0.00 0.85 0.51 0.25 0.37 0.00 0.00 175.52 177.50 1rzr h LEU 22 N 0.01 0.75 -0.22 2.58 5.85 -1.07 0.31 115.31 123.52 1rzr h LEU 22 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1rzr h LEU 22 Cb 2.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1rzr h LEU 22 CO 0.11 0.48 0.00 0.52 -0.34 0.00 0.00 178.44 179.21 1rzr n VAL 23 N -4.48 0.62 -0.04 1.05 0.31 -0.83 -2.53 118.33 112.43 1rzr n VAL 23 Ca 0.11 -0.03 -0.22 0.00 -0.01 0.00 0.00 64.34 64.19 1rzr n VAL 23 Cb 0.21 -0.79 -0.13 0.00 -0.91 0.00 0.00 33.84 32.22 1rzr n VAL 23 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1rzr n GLN 24 N -2.07 0.68 0.23 5.55 7.27 0.78 -4.00 117.38 125.82 1rzr n GLN 24 Ca 0.05 0.39 0.07 0.00 0.07 0.00 0.00 57.00 57.57 1rzr n GLN 24 Cb 0.33 -1.72 0.55 0.00 2.41 0.00 0.00 30.24 31.80 1rzr n GLN 24 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1rzr h ALA 25 N -0.17 1.64 -0.00 1.69 0.00 -0.70 -1.16 119.26 120.55 1rzr h ALA 25 Ca -0.40 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1rzr h ALA 25 Cb 1.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1rzr h ALA 25 CO -0.04 0.21 -0.07 0.00 0.00 0.00 0.00 179.25 179.36 1rzr n ALA 26 N -2.47 2.70 0.85 0.00 0.00 -1.05 -3.14 120.51 117.40 1rzr n ALA 26 Ca -0.02 -0.25 0.10 0.00 0.00 0.00 0.00 53.44 53.26 1rzr n ALA 26 Cb 0.24 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.91 0.84 0.02 0.00 7.64 -0.45 -4.04 113.62 116.72 1rzr n SER 27 Ca 0.16 -0.83 0.13 0.00 1.01 0.00 0.00 58.87 59.34 1rzr n SER 27 Cb 0.25 1.13 0.48 0.00 -1.01 0.00 0.00 64.21 65.07 1rzr n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rzr n LYS 28 N -1.62 0.05 -4.84 1.43 4.76 -1.12 -4.82 118.16 112.00 1rzr n LYS 28 Ca 0.03 0.03 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 1rzr n LYS 28 Cb 0.37 -1.55 -0.14 0.00 -1.84 0.00 0.00 35.03 31.87 1rzr n LYS 28 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1rzr s PHE 29 N -3.02 2.76 0.36 2.13 0.08 -1.26 -5.04 117.98 113.99 1rzr s PHE 29 Ca 0.12 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.67 1rzr s PHE 29 Cb 0.18 -1.78 0.68 0.00 -0.57 0.00 0.00 43.02 41.52 1rzr s PHE 29 CO 0.59 -0.12 1.98 -0.44 -0.10 0.00 0.00 175.22 177.12 1rzr h ASP 30 N 6.35 0.60 -2.61 1.36 5.19 -1.89 -3.45 116.42 121.97 1rzr h ASP 30 Ca -0.30 -0.05 -0.50 0.00 -0.62 0.00 0.00 57.03 55.56 1rzr h ASP 30 Cb 1.20 -0.15 0.23 0.00 0.18 0.00 0.00 39.33 40.79 1rzr h ASP 30 CO 0.54 0.50 -1.13 -1.54 -3.12 0.00 0.00 179.24 174.48 1rzr n SER 31 N -4.40 -2.80 -4.53 6.45 3.41 -1.26 -4.91 113.62 105.59 1rzr n SER 31 Ca 0.04 0.12 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 1rzr n SER 31 Cb 0.11 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 63.01 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 -1.72 6.36 -0.12 4.04 1.11 -0.68 -4.90 116.67 120.76 1rzr s ASP 32 Ca 0.52 -0.26 -0.06 0.00 0.18 0.00 0.00 52.55 52.93 1rzr s ASP 32 Cb -0.14 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 1rzr s ASP 32 CO 0.69 -0.87 0.11 -0.63 1.18 0.00 0.00 175.17 175.65 1rzr s ILE 33 N 3.08 5.22 0.00 0.77 1.01 -1.26 -1.73 121.20 128.30 1rzr s ILE 33 Ca 0.26 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1rzr s ILE 33 Cb -0.13 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1rzr s ILE 33 CO 0.20 0.61 -0.10 0.20 0.00 0.00 0.00 174.94 175.85 1rzr s ASN 34 N -0.90 1.17 -0.14 3.58 -0.87 0.16 -2.14 114.94 115.79 1rzr s ASN 34 Ca 0.14 -0.24 -0.00 0.00 -1.57 0.00 0.00 52.86 51.19 1rzr s ASN 34 Cb -0.12 -0.11 0.03 0.00 -0.02 0.00 0.00 41.25 41.03 1rzr s ASN 34 CO 0.03 0.08 -0.09 -0.22 -2.57 0.00 0.00 177.10 174.34 1rzr s LEU 35 N -0.46 1.48 -0.02 0.60 2.96 -0.61 0.16 118.68 122.79 1rzr s LEU 35 Ca 0.02 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1rzr s LEU 35 Cb -0.05 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1rzr s LEU 35 CO -0.00 -0.12 0.03 -0.70 -1.32 0.00 0.00 176.35 174.23 1rzr s GLU 36 N 1.62 2.91 -0.24 1.98 2.12 -0.92 -0.44 118.70 125.73 1rzr s GLU 36 Ca 0.03 -0.53 -0.12 0.00 0.36 0.00 0.00 54.97 54.71 1rzr s GLU 36 Cb -0.14 -2.76 0.08 0.00 0.26 0.00 0.00 34.13 31.58 1rzr s GLU 36 CO -0.09 0.65 0.58 0.12 -0.54 0.00 0.00 175.26 175.98 1rzr s PHE 37 N -1.07 -0.94 -1.78 5.30 2.19 0.29 -2.07 117.98 119.89 1rzr s PHE 37 Ca 0.19 1.86 0.00 0.00 0.33 0.00 0.00 56.93 59.31 1rzr s PHE 37 Cb -0.12 0.52 0.00 0.00 -1.31 0.00 0.00 43.02 42.12 1rzr s PHE 37 CO 0.09 -0.49 0.00 -1.71 1.83 0.00 0.00 175.22 174.95 1rzr n ASN 38 N 4.55 -5.87 0.00 6.13 5.15 -1.26 -1.89 115.26 122.07 1rzr n ASN 38 Ca -0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1rzr n ASN 38 Cb 0.56 -4.90 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 1rzr n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rzr n GLY 39 N -1.00 1.19 3.56 8.20 0.00 -1.26 -5.03 105.19 110.85 1rzr n GLY 39 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1rzr n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rzr s LYS 40 N -0.19 2.03 0.08 1.61 -2.85 -0.79 -5.12 119.74 114.50 1rzr s LYS 40 Ca 0.00 -1.14 0.10 0.00 -1.00 0.00 0.00 55.97 53.92 1rzr s LYS 40 Cb 0.00 -2.21 -0.03 0.00 -2.06 0.00 0.00 37.83 33.52 1rzr s LYS 40 CO 0.00 0.48 -0.26 0.99 0.10 0.00 0.00 175.35 176.65 1rzr s THR 41 N -1.38 2.15 0.00 3.79 2.01 -1.26 -0.54 115.64 120.41 1rzr s THR 41 Ca 0.22 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.65 1rzr s THR 41 Cb -0.10 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 1rzr s THR 41 CO 0.14 0.23 0.06 0.68 -0.69 0.00 0.00 174.62 175.04 1rzr s VAL 42 N -0.92 0.07 -0.05 3.82 -7.23 0.41 -4.98 120.40 111.52 1rzr s VAL 42 Ca 0.12 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 1rzr s VAL 42 Cb -0.10 -0.28 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 1rzr s VAL 42 CO 0.04 -0.32 1.91 0.21 -0.31 0.00 0.00 175.10 176.62 1rzr s ASN 43 N -1.03 6.32 0.00 4.85 3.84 -1.26 -1.57 114.94 126.08 1rzr s ASN 43 Ca -0.11 2.35 0.00 0.00 0.21 0.00 0.00 52.86 55.30 1rzr s ASN 43 Cb -0.07 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 1rzr s ASN 43 CO 0.00 -1.20 0.61 -0.11 -2.79 0.00 0.00 177.10 173.61 1rzr n LEU 44 N 8.24 0.00 -3.97 3.21 0.00 -0.91 -4.65 117.00 118.92 1rzr n LEU 44 Ca 0.21 0.12 -0.40 0.00 0.00 0.00 0.00 56.01 55.95 1rzr n LEU 44 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 43.42 43.70 1rzr n LEU 44 CO 0.66 -0.12 0.82 0.29 0.00 0.00 0.00 177.39 179.03 1rzr n LYS 45 N -1.11 3.81 0.00 1.96 5.02 -1.26 -4.28 118.16 122.30 1rzr n LYS 45 Ca 0.00 -4.56 0.00 0.00 -2.02 0.00 0.00 58.31 51.73 1rzr n LYS 45 Cb 0.01 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1rzr n LYS 45 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1rzr n ILE 47 N 1.55 0.00 0.24 -0.18 3.06 -1.26 -4.98 119.36 117.79 1rzr n ILE 47 Ca 0.26 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.64 1rzr n ILE 47 Cb 0.36 0.00 0.39 0.00 0.54 0.00 0.00 39.64 40.93 1rzr n ILE 47 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 1rzr h MET 48 N 0.00 0.00 0.04 9.51 4.05 -1.98 -2.36 114.93 124.19 1rzr h MET 48 Ca 0.00 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.18 1rzr h MET 48 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1rzr h MET 48 CO 0.00 0.07 -1.30 0.78 0.23 0.00 0.00 176.91 176.69 1rzr h GLY 49 N 2.97 0.11 0.81 1.39 0.00 -1.96 -3.26 103.07 103.13 1rzr h GLY 49 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1rzr h GLY 49 CO 0.01 0.24 -0.30 -2.08 0.00 0.00 0.00 176.54 174.41 1rzr h VAL 50 N -0.68 0.26 -0.31 4.60 2.07 -1.83 -3.05 116.25 117.32 1rzr h VAL 50 Ca -0.32 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.02 1rzr h VAL 50 Cb 1.49 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1rzr h VAL 50 CO -0.09 0.03 0.39 0.24 0.02 0.00 0.00 177.57 178.16 1rzr h MET 51 N -1.05 0.00 -0.15 1.57 2.86 -1.63 -1.32 114.93 115.22 1rzr h MET 51 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1rzr h MET 51 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1rzr h MET 51 CO 0.14 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.98 1rzr n SER 52 N -3.59 1.52 -0.03 1.22 3.41 -1.15 -3.99 113.62 111.01 1rzr n SER 52 Ca 0.05 -1.68 -0.22 0.00 -0.26 0.00 0.00 58.87 56.76 1rzr n SER 52 Cb 0.54 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 1rzr n SER 52 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rzr n LEU 53 N 0.22 2.44 -1.73 1.04 4.77 -0.50 -5.03 117.00 118.21 1rzr n LEU 53 Ca 0.16 0.26 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1rzr n LEU 53 Cb 0.31 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1rzr n LEU 53 CO 0.13 0.70 0.05 0.61 -1.33 0.00 0.00 177.39 177.55 1rzr n GLY 54 N 1.84 -0.38 3.66 -0.72 0.00 -1.26 -4.99 105.19 103.34 1rzr n GLY 54 Ca -0.33 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1rzr n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rzr s ILE 55 N -3.00 4.91 0.48 -0.61 1.09 -1.26 -5.05 121.20 117.75 1rzr s ILE 55 Ca 0.00 1.47 0.04 0.00 -1.10 0.00 0.00 60.65 61.06 1rzr s ILE 55 Cb -0.00 -4.07 0.02 0.00 -1.06 0.00 0.00 42.46 37.35 1rzr s ILE 55 CO 0.11 0.02 0.67 -1.10 -0.10 0.00 0.00 174.94 174.54 1rzr s GLN 56 N 2.33 2.74 0.64 2.79 -0.21 -1.26 -2.74 119.66 123.95 1rzr s GLN 56 Ca 0.34 -0.91 -0.18 0.00 0.02 0.00 0.00 55.36 54.63 1rzr s GLN 56 Cb -0.16 -2.61 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 1rzr s GLN 56 CO 0.10 -0.46 1.18 1.17 -2.12 0.00 0.00 175.29 175.17 1rzr n LYS 57 N -2.10 1.02 0.00 2.91 4.81 -1.26 -2.09 118.16 121.46 1rzr n LYS 57 Ca 0.07 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1rzr n LYS 57 Cb 0.59 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1rzr n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rzr n GLY 58 N 1.05 2.72 3.74 3.14 0.00 0.61 -4.97 105.19 111.48 1rzr n GLY 58 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.05 1.89 -0.21 4.61 0.00 -0.89 -4.74 121.76 120.37 1rzr s ALA 59 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 1rzr s ALA 59 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1rzr s ALA 59 CO 0.00 -2.11 -0.13 0.95 0.00 0.00 0.00 175.76 174.48 1rzr s THR 60 N -2.87 2.53 0.14 0.00 -4.23 -1.26 -1.06 115.64 108.89 1rzr s THR 60 Ca 0.63 -0.94 0.11 0.00 -1.18 0.00 0.00 61.69 60.30 1rzr s THR 60 Cb -0.18 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1rzr s THR 60 CO 0.57 0.38 -0.24 0.27 -0.54 0.00 0.00 174.62 175.05 1rzr s ILE 61 N 1.32 2.41 -0.28 2.99 -4.36 -0.51 -4.58 121.20 118.18 1rzr s ILE 61 Ca 0.03 -1.74 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 1rzr s ILE 61 Cb -0.15 -2.09 0.06 0.00 1.25 0.00 0.00 42.46 41.53 1rzr s ILE 61 CO -0.08 0.06 -0.05 -0.89 0.24 0.00 0.00 174.94 174.22 1rzr s THR 62 N -1.17 2.51 -0.15 8.37 2.01 -0.88 -0.80 115.64 125.53 1rzr s THR 62 Ca 0.16 -1.60 -0.21 0.00 0.31 0.00 0.00 61.69 60.35 1rzr s THR 62 Cb -0.10 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1rzr s THR 62 CO 0.07 -0.11 0.62 -0.63 -0.69 0.00 0.00 174.62 173.89 1rzr s ILE 63 N 1.15 5.05 -0.07 1.82 1.09 -0.47 -2.16 121.20 127.61 1rzr s ILE 63 Ca -0.06 1.22 0.02 0.00 -1.10 0.00 0.00 60.65 60.73 1rzr s ILE 63 Cb -0.20 -3.95 0.01 0.00 -1.06 0.00 0.00 42.46 37.26 1rzr s ILE 63 CO -0.04 0.18 -0.12 -0.94 -0.10 0.00 0.00 174.94 173.92 1rzr s SER 64 N 1.00 1.77 -0.11 3.58 1.04 0.42 -1.39 113.70 120.02 1rzr s SER 64 Ca 0.31 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 1rzr s SER 64 Cb -0.16 -0.82 -0.03 0.00 0.10 0.00 0.00 66.02 65.10 1rzr s SER 64 CO 0.12 0.03 -0.02 0.00 0.98 0.00 0.00 173.24 174.36 1rzr s ALA 65 N 0.68 3.16 -0.29 5.32 0.00 0.12 0.36 121.76 131.11 1rzr s ALA 65 Ca -0.14 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1rzr s ALA 65 Cb -0.16 -1.48 0.11 0.00 0.00 0.00 0.00 23.12 21.59 1rzr s ALA 65 CO 0.04 0.46 0.17 -1.83 0.00 0.00 0.00 175.76 174.60 1rzr s GLU 66 N -0.47 0.22 0.00 0.00 -1.05 -0.70 -4.19 118.70 112.50 1rzr s GLU 66 Ca 0.08 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 1rzr s GLU 66 Cb -0.12 -1.03 0.00 0.00 -0.44 0.00 0.00 34.13 32.53 1rzr s GLU 66 CO 0.02 -1.02 0.00 0.41 0.95 0.00 0.00 175.26 175.62 1rzr n GLY 67 N 5.27 -1.59 0.23 -3.83 0.00 -1.26 -1.69 105.19 102.32 1rzr n GLY 67 Ca -0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.61 -0.66 1.61 4.64 -1.97 -2.84 113.55 113.73 1rzr h SER 68 Ca 0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1rzr h SER 68 Cb 0.00 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1rzr h SER 68 CO 0.00 -0.21 0.00 -0.90 -0.87 0.00 0.00 176.83 174.85 1rzr n ASP 69 N -5.38 3.70 -0.07 4.97 5.68 -1.26 -4.74 116.55 119.46 1rzr n ASP 69 Ca 0.03 -2.00 -0.01 0.00 -0.50 0.00 0.00 54.79 52.32 1rzr n ASP 69 Cb 0.28 -0.44 -0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1rzr n ASP 69 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1rzr n GLU 70 N 1.54 -0.05 0.12 0.11 1.02 -1.07 -0.24 120.64 122.06 1rzr n GLU 70 Ca 0.23 0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1rzr n GLU 70 Cb 0.59 -0.42 -0.06 0.00 -0.02 0.00 0.00 31.44 31.54 1rzr n GLU 70 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rzr h ALA 71 N 0.21 -0.52 -0.79 0.62 0.00 -1.86 0.49 119.26 117.40 1rzr h ALA 71 Ca 0.05 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1rzr h ALA 71 Cb 0.10 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 1rzr h ALA 71 CO -0.18 -0.85 0.34 -0.44 0.00 0.00 0.00 179.25 178.12 1rzr h ASP 72 N -0.53 0.34 0.23 0.00 5.19 -0.99 0.72 116.42 121.38 1rzr h ASP 72 Ca 0.03 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1rzr h ASP 72 Cb 0.55 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1rzr h ASP 72 CO -0.17 0.12 -0.11 0.00 -3.12 0.00 0.00 179.24 175.96 1rzr h ALA 73 N 1.56 -0.30 -0.05 3.45 0.00 -1.21 -0.24 119.26 122.47 1rzr h ALA 73 Ca 0.44 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1rzr h ALA 73 Cb 0.67 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1rzr h ALA 73 CO -0.40 -0.44 -0.11 1.25 0.00 0.00 0.00 179.25 179.55 1rzr h LEU 74 N -0.77 -0.32 -2.42 0.00 5.85 0.48 1.99 115.31 120.13 1rzr h LEU 74 Ca -0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1rzr h LEU 74 Cb 0.50 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1rzr h LEU 74 CO 0.05 -0.15 0.05 0.00 -0.34 0.00 0.00 178.44 178.05 1rzr h ALA 75 N 0.85 1.04 0.11 1.25 0.00 0.40 -1.98 119.26 120.94 1rzr h ALA 75 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.67 1rzr h ALA 75 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1rzr h ALA 75 CO -0.14 -0.04 -1.57 0.00 0.00 0.00 0.00 179.25 177.50 1rzr h ALA 76 N 1.90 0.24 -0.03 0.00 0.00 0.36 -3.29 119.26 118.44 1rzr h ALA 76 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1rzr h ALA 76 Cb 0.10 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rzr h ALA 76 CO 0.00 0.95 0.00 1.28 0.00 0.00 0.00 179.25 181.48 1rzr n LEU 77 N -3.84 0.91 -0.10 0.00 4.77 0.57 -2.29 117.00 117.01 1rzr n LEU 77 Ca -0.27 -0.46 -0.20 0.00 -0.03 0.00 0.00 56.01 55.05 1rzr n LEU 77 Cb 0.93 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1rzr n LEU 77 CO 0.40 0.20 -1.11 1.21 -1.33 0.00 0.00 177.39 176.76 1rzr n GLU 78 N -0.10 0.43 0.30 3.23 4.07 -1.03 -3.76 120.64 123.78 1rzr n GLU 78 Ca 0.01 0.19 -0.17 0.00 -0.06 0.00 0.00 57.16 57.14 1rzr n GLU 78 Cb 0.21 -1.23 -0.08 0.00 -0.06 0.00 0.00 31.44 30.28 1rzr n GLU 78 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1rzr h ASP 79 N -0.75 -0.89 -0.17 4.31 3.58 -1.58 -2.11 116.42 118.82 1rzr h ASP 79 Ca -0.45 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.10 1rzr h ASP 79 Cb 1.36 0.27 -0.07 0.00 1.72 0.00 0.00 39.33 42.61 1rzr h ASP 79 CO -0.27 -0.53 -0.38 0.74 -2.88 0.00 0.00 179.24 175.92 1rzr h THR 80 N -0.83 0.20 -0.79 2.25 2.02 -1.71 1.14 112.91 115.19 1rzr h THR 80 Ca -0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1rzr h THR 80 Cb 0.69 0.20 -0.09 0.00 -1.74 0.00 0.00 68.15 67.21 1rzr h THR 80 CO 0.04 0.00 -0.46 0.80 0.37 0.00 0.00 175.52 176.26 1rzr n MET 81 N -5.42 -0.35 0.08 6.66 0.00 -1.08 0.53 117.12 117.54 1rzr n MET 81 Ca -0.03 1.36 -0.11 0.00 -0.00 0.00 0.00 57.70 58.92 1rzr n MET 81 Cb 0.35 -2.01 -0.04 0.00 0.00 0.00 0.00 33.22 31.51 1rzr n MET 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1rzr h SER 82 N 0.00 0.38 0.23 6.12 4.64 -0.85 0.40 113.55 124.46 1rzr h SER 82 Ca 0.13 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1rzr h SER 82 Cb 0.32 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1rzr h SER 82 CO -0.74 1.14 -0.06 0.07 -0.87 0.00 0.00 176.83 176.37 1rzr h LYS 83 N 0.15 0.00 -0.23 4.77 2.10 0.22 0.41 116.57 123.99 1rzr h LYS 83 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1rzr h LYS 83 Cb 1.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.94 1rzr h LYS 83 CO 0.15 0.06 0.00 0.39 -2.00 0.00 0.00 179.45 178.05 1rzr n GLU 84 N -3.62 1.96 -3.69 0.07 -0.58 0.19 -5.03 120.64 109.93 1rzr n GLU 84 Ca -0.02 -1.86 -0.30 0.00 -0.42 0.00 0.00 57.16 54.56 1rzr n GLU 84 Cb 0.17 -1.36 0.01 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.01 -0.79 0.00 0.62 0.00 0.14 -4.93 105.19 101.25 1rzr n GLY 85 Ca 0.13 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.96 1rzr n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rzr n LEU 86 N -1.76 2.00 0.00 0.99 4.77 -0.01 -4.25 117.00 118.74 1rzr n LEU 86 Ca -0.24 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.58 1rzr n LEU 86 Cb 0.69 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 1rzr n LEU 86 CO 0.61 0.33 -0.08 0.61 -1.33 0.00 0.00 177.39 177.53 1rzr n GLY 87 N 3.15 3.10 0.19 -0.72 0.00 -1.26 0.33 105.19 109.98 1rzr n GLY 87 Ca 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.19 1rzr n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11