#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 0.29 -0.02 0.00 0.74 -1.26 -2.25 119.66 117.15 1rzr s GLN 3 Ca 0.00 0.42 -0.19 0.00 0.05 0.00 0.00 55.36 55.64 1rzr s GLN 3 Cb 0.00 0.10 0.03 0.00 1.10 0.00 0.00 33.01 34.24 1rzr s GLN 3 CO 0.00 -0.05 0.40 0.21 -0.55 0.00 0.00 175.29 175.30 1rzr s LYS 4 N 0.72 0.77 -0.17 1.67 2.20 -0.74 -5.03 119.74 119.16 1rzr s LYS 4 Ca -0.02 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.49 1rzr s LYS 4 Cb -0.04 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1rzr s LYS 4 CO -0.12 -0.22 -0.17 0.99 -0.36 0.00 0.00 175.35 175.47 1rzr s THR 5 N -1.34 2.39 0.19 3.43 2.01 -1.26 -1.66 115.64 119.40 1rzr s THR 5 Ca -0.13 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.10 1rzr s THR 5 Cb -0.04 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1rzr s THR 5 CO 0.05 0.52 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.13 1rzr s PHE 6 N 1.07 2.79 -0.53 4.92 0.40 -0.43 -4.97 117.98 121.23 1rzr s PHE 6 Ca -0.01 -0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 55.99 1rzr s PHE 6 Cb -0.14 -1.33 0.10 0.00 0.51 0.00 0.00 43.02 42.16 1rzr s PHE 6 CO -0.06 0.54 0.54 0.95 0.70 0.00 0.00 175.22 177.89 1rzr s THR 7 N -1.85 5.09 -0.28 0.64 -4.23 -0.74 -1.66 115.64 112.61 1rzr s THR 7 Ca 0.28 -1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 59.35 1rzr s THR 7 Cb -0.09 -4.32 -0.02 0.00 1.34 0.00 0.00 72.50 69.42 1rzr s THR 7 CO 0.18 -0.85 1.67 0.54 -0.54 0.00 0.00 174.62 175.63 1rzr s VAL 8 N 1.98 3.62 -0.71 2.29 0.11 0.73 -2.52 120.40 125.90 1rzr s VAL 8 Ca 0.07 0.67 0.20 0.00 -2.93 0.00 0.00 61.98 60.00 1rzr s VAL 8 Cb -0.26 -3.72 -0.25 0.00 -1.53 0.00 0.00 36.38 30.62 1rzr s VAL 8 CO 0.06 -0.38 0.76 1.07 -3.33 0.00 0.00 175.10 173.28 1rzr n THR 9 N 6.85 0.00 -1.73 5.04 5.66 -0.59 0.12 114.28 129.62 1rzr n THR 9 Ca 0.20 -0.14 -0.42 0.00 -3.05 0.00 0.00 64.05 60.64 1rzr n THR 9 Cb 0.46 0.74 -0.02 0.00 -1.55 0.00 0.00 70.33 69.96 1rzr n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rzr n ALA 10 N -1.68 2.31 -0.21 1.79 0.00 -0.91 -4.77 120.51 117.05 1rzr n ALA 10 Ca 0.02 0.38 0.19 0.00 0.00 0.00 0.00 53.44 54.02 1rzr n ALA 10 Cb 0.38 -2.43 0.53 0.00 0.00 0.00 0.00 19.45 17.93 1rzr n ALA 10 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rzr h ASP 11 N 4.58 0.36 -0.54 0.00 5.19 -1.93 -0.67 116.42 123.42 1rzr h ASP 11 Ca -0.47 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1rzr h ASP 11 Cb 1.23 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1rzr h ASP 11 CO 0.78 0.16 0.00 -1.54 -3.12 0.00 0.00 179.24 175.52 1rzr n SER 12 N -4.48 4.43 -0.00 6.45 3.41 -1.26 -4.53 113.62 117.63 1rzr n SER 12 Ca 0.17 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1rzr n SER 12 Cb 0.66 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1rzr n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rzr n GLY 13 N 0.74 0.57 3.08 5.00 0.00 -0.26 -3.78 105.19 110.55 1rzr n GLY 13 Ca 0.23 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1rzr n GLY 13 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rzr n ILE 14 N -0.00 4.02 -4.39 -0.61 5.41 -1.17 -4.85 119.36 117.78 1rzr n ILE 14 Ca 0.00 -4.05 -0.21 0.00 1.00 0.00 0.00 62.75 59.49 1rzr n ILE 14 Cb 0.00 -2.45 -0.09 0.00 -0.71 0.00 0.00 39.64 36.40 1rzr n ILE 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1rzr s HIS 15 N 2.06 1.69 0.00 1.39 3.76 -1.25 -4.70 115.29 118.24 1rzr s HIS 15 Ca 0.45 -1.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.00 1rzr s HIS 15 Cb 0.07 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.81 1rzr s HIS 15 CO -0.01 -0.47 0.00 0.00 -0.85 0.00 0.00 174.74 173.42 1rzr n ALA 16 N -0.68 0.00 -0.08 -1.40 0.00 -1.26 -2.17 120.51 114.92 1rzr n ALA 16 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1rzr n ALA 16 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.06 -0.97 0.00 3.08 -1.99 -2.03 114.38 112.40 1rzr h ARG 17 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 1rzr h ARG 17 Cb 0.00 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 1rzr h ARG 17 CO 0.00 -0.04 0.61 -1.35 -1.07 0.00 0.00 179.97 178.12 1rzr h PRO 18 N -0.06 0.78 0.00 0.04 0.11 -1.93 1.05 132.00 131.98 1rzr h PRO 18 Ca 0.15 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1rzr h PRO 18 Cb 0.29 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1rzr h PRO 18 CO -0.34 0.51 -0.29 0.00 -0.21 0.00 0.00 178.00 177.67 1rzr h ALA 19 N 1.59 1.41 0.07 -0.75 0.00 -0.87 -0.53 119.26 120.19 1rzr h ALA 19 Ca 0.51 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 1rzr h ALA 19 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1rzr h ALA 19 CO -0.28 0.36 -1.25 1.15 0.00 0.00 0.00 179.25 179.23 1rzr h THR 20 N 0.00 1.46 -0.46 0.00 2.02 0.14 -0.61 112.91 115.46 1rzr h THR 20 Ca -0.00 -3.11 -0.14 0.00 0.77 0.00 0.00 66.41 63.93 1rzr h THR 20 Cb 0.55 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1rzr h THR 20 CO 0.04 0.88 -0.26 0.71 0.37 0.00 0.00 175.52 177.26 1rzr h THR 21 N 0.04 1.27 -0.28 3.16 1.35 0.00 0.10 112.91 118.56 1rzr h THR 21 Ca -0.12 -1.42 -0.19 0.00 -0.55 0.00 0.00 66.41 64.12 1rzr h THR 21 Cb 1.92 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 1rzr h THR 21 CO 0.16 0.49 -0.56 0.25 -0.25 0.00 0.00 175.52 175.61 1rzr h LEU 22 N 0.84 0.98 -0.03 3.87 5.85 -1.16 0.56 115.31 126.21 1rzr h LEU 22 Ca 0.10 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1rzr h LEU 22 Cb 0.84 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1rzr h LEU 22 CO 0.07 1.34 0.00 0.52 -0.34 0.00 0.00 178.44 180.03 1rzr n VAL 23 N -4.01 0.87 -0.10 1.05 0.31 -0.24 -3.16 118.33 113.05 1rzr n VAL 23 Ca -0.05 0.22 -0.17 0.00 -0.01 0.00 0.00 64.34 64.33 1rzr n VAL 23 Cb 0.64 -0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 32.55 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 -1.54 0.53 -0.36 5.55 7.27 0.01 -4.09 117.38 124.76 1rzr n GLN 24 Ca 0.04 0.43 0.27 0.00 0.07 0.00 0.00 57.00 57.81 1rzr n GLN 24 Cb 0.19 -1.62 0.53 0.00 2.41 0.00 0.00 30.24 31.75 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 -0.83 2.24 -0.01 1.69 0.00 0.12 0.59 119.26 123.06 1rzr h ALA 25 Ca -0.27 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rzr h ALA 25 Cb 1.10 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rzr h ALA 25 CO -0.16 -0.81 -0.17 0.00 0.00 0.00 0.00 179.25 178.11 1rzr n ALA 26 N -2.40 2.91 0.37 0.00 0.00 -1.20 -3.17 120.51 117.03 1rzr n ALA 26 Ca 0.32 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1rzr n ALA 26 Cb 1.08 -1.17 0.24 0.00 0.00 0.00 0.00 19.45 19.60 1rzr n ALA 26 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rzr h SER 27 N 1.40 0.00 0.57 0.00 0.87 0.04 -3.10 113.55 113.32 1rzr h SER 27 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1rzr h SER 27 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1rzr h SER 27 CO 0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 1rzr n LYS 28 N -2.76 0.06 -4.23 2.24 5.02 -1.14 -4.80 118.16 112.55 1rzr n LYS 28 Ca 0.04 0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 56.21 1rzr n LYS 28 Cb 0.49 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.90 1rzr n LYS 28 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1rzr s PHE 29 N -2.91 2.72 -0.19 2.13 0.08 -1.17 -5.05 117.98 113.59 1rzr s PHE 29 Ca 0.11 -0.17 0.16 0.00 0.12 0.00 0.00 56.93 57.15 1rzr s PHE 29 Cb 0.12 -1.42 0.08 0.00 -0.57 0.00 0.00 43.02 41.23 1rzr s PHE 29 CO 0.32 0.43 1.43 0.22 -0.10 0.00 0.00 175.22 177.52 1rzr h ASP 30 N 3.59 0.00 -4.14 1.36 1.82 -1.88 -3.47 116.42 113.70 1rzr h ASP 30 Ca -0.49 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.62 1rzr h ASP 30 Cb 1.17 0.00 0.19 0.00 0.68 0.00 0.00 39.33 41.36 1rzr h ASP 30 CO 0.52 0.45 0.27 -1.20 -1.61 0.00 0.00 179.24 177.66 1rzr n SER 31 N -3.19 0.78 -4.58 2.28 7.64 -1.26 -4.88 113.62 110.41 1rzr n SER 31 Ca 0.02 0.56 -0.42 0.00 1.01 0.00 0.00 58.87 60.04 1rzr n SER 31 Cb 0.72 -1.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.41 1rzr n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1rzr s ASP 32 N -2.15 6.33 0.09 6.43 1.11 -0.06 -4.88 116.67 123.55 1rzr s ASP 32 Ca 0.72 0.13 -0.15 0.00 0.18 0.00 0.00 52.55 53.43 1rzr s ASP 32 Cb -0.28 -2.55 -0.07 0.00 1.07 0.00 0.00 42.92 41.09 1rzr s ASP 32 CO 0.52 -1.57 0.52 -0.63 1.18 0.00 0.00 175.17 175.19 1rzr s ILE 33 N 5.34 4.87 0.15 0.77 -1.09 -1.26 -2.51 121.20 127.47 1rzr s ILE 33 Ca 0.45 0.91 0.05 0.00 -2.23 0.00 0.00 60.65 59.83 1rzr s ILE 33 Cb -0.09 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1rzr s ILE 33 CO 0.25 0.40 -0.10 0.21 -1.23 0.00 0.00 174.94 174.46 1rzr s ASN 34 N -1.44 1.82 -0.06 3.58 2.47 0.29 -3.76 114.94 117.84 1rzr s ASN 34 Ca 0.32 -1.00 -0.02 0.00 0.42 0.00 0.00 52.86 52.58 1rzr s ASN 34 Cb -0.16 -0.02 0.04 0.00 -1.45 0.00 0.00 41.25 39.66 1rzr s ASN 34 CO 0.18 -0.32 0.10 -0.22 -3.72 0.00 0.00 177.10 173.12 1rzr s LEU 35 N -3.13 0.21 -0.05 3.21 2.96 -1.05 0.49 118.68 121.31 1rzr s LEU 35 Ca 0.16 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 1rzr s LEU 35 Cb 0.02 0.06 -0.03 0.00 0.50 0.00 0.00 46.19 46.75 1rzr s LEU 35 CO 0.01 -0.23 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.08 1rzr s GLU 36 N 2.02 2.56 -0.21 1.98 2.02 0.53 -0.99 118.70 126.63 1rzr s GLU 36 Ca 0.02 -0.66 -0.07 0.00 0.02 0.00 0.00 54.97 54.28 1rzr s GLU 36 Cb -0.12 -2.44 0.09 0.00 0.10 0.00 0.00 34.13 31.77 1rzr s GLU 36 CO -0.04 0.63 0.44 0.12 0.02 0.00 0.00 175.26 176.43 1rzr s PHE 37 N -0.76 -0.84 -1.44 1.61 2.19 0.65 -2.13 117.98 117.26 1rzr s PHE 37 Ca 0.12 1.58 -0.02 0.00 0.33 0.00 0.00 56.93 58.94 1rzr s PHE 37 Cb -0.11 0.34 0.02 0.00 -1.31 0.00 0.00 43.02 41.96 1rzr s PHE 37 CO 0.01 -0.49 0.47 0.09 1.83 0.00 0.00 175.22 177.13 1rzr n ASN 38 N 5.38 -0.73 0.00 6.13 4.13 -1.26 -0.29 115.26 128.62 1rzr n ASN 38 Ca -0.09 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.17 1rzr n ASN 38 Cb 0.49 -3.06 0.00 0.00 -1.54 0.00 0.00 39.78 35.68 1rzr n ASN 38 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rzr n GLY 39 N -1.92 0.43 3.31 7.41 0.00 -1.26 -4.99 105.19 108.17 1rzr n GLY 39 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1rzr n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rzr s LYS 40 N -0.54 1.91 0.00 1.61 2.20 0.60 -5.15 119.74 120.36 1rzr s LYS 40 Ca 0.00 -0.99 0.04 0.00 -0.36 0.00 0.00 55.97 54.66 1rzr s LYS 40 Cb 0.00 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 1rzr s LYS 40 CO 0.00 0.52 -0.13 0.99 -0.36 0.00 0.00 175.35 176.37 1rzr s THR 41 N -0.69 1.03 0.19 3.43 2.01 -1.26 0.24 115.64 120.58 1rzr s THR 41 Ca 0.10 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1rzr s THR 41 Cb -0.10 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1rzr s THR 41 CO 0.00 0.22 0.06 0.68 -0.69 0.00 0.00 174.62 174.90 1rzr s VAL 42 N -0.42 0.37 -0.23 3.82 -7.23 -0.16 -5.00 120.40 111.56 1rzr s VAL 42 Ca 0.04 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 57.95 1rzr s VAL 42 Cb -0.06 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1rzr s VAL 42 CO -0.00 -0.28 1.42 0.21 -0.31 0.00 0.00 175.10 176.14 1rzr s ASN 43 N -3.17 6.64 0.00 4.85 3.84 -1.26 -2.53 114.94 123.31 1rzr s ASN 43 Ca 0.30 1.52 0.04 0.00 0.21 0.00 0.00 52.86 54.93 1rzr s ASN 43 Cb 0.07 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.40 1rzr s ASN 43 CO 0.07 -1.05 1.11 -0.11 -2.79 0.00 0.00 177.10 174.32 1rzr n LEU 44 N 7.62 0.00 -3.69 3.21 -0.00 -1.25 -4.40 117.00 118.49 1rzr n LEU 44 Ca 0.16 0.48 -0.40 0.00 -0.00 0.00 0.00 56.01 56.25 1rzr n LEU 44 Cb 0.45 -0.48 0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1rzr n LEU 44 CO 0.62 -0.42 1.22 0.29 -0.00 0.00 0.00 177.39 179.11 1rzr n LYS 45 N -1.48 4.94 0.04 1.96 5.02 -1.26 -4.52 118.16 122.85 1rzr n LYS 45 Ca 0.01 -4.65 0.00 0.00 -2.02 0.00 0.00 58.31 51.65 1rzr n LYS 45 Cb 0.04 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.59 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 0.35 0.44 0.03 -0.18 2.08 -1.26 -4.94 119.36 115.88 1rzr n ILE 47 Ca 0.39 0.15 -0.10 0.00 0.56 0.00 0.00 62.75 63.75 1rzr n ILE 47 Cb 0.29 -1.27 -0.04 0.00 -0.75 0.00 0.00 39.64 37.88 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 -0.25 0.15 0.38 2.86 -1.97 0.14 114.93 116.23 1rzr h MET 48 Ca 0.00 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1rzr h MET 48 Cb 0.38 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1rzr h MET 48 CO 0.00 -0.17 -0.39 0.78 1.06 0.00 0.00 176.91 178.19 1rzr h GLY 49 N -0.26 -0.80 0.82 8.32 0.00 -1.99 0.30 103.07 109.46 1rzr h GLY 49 Ca 0.08 0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.90 1rzr h GLY 49 CO -0.21 -0.27 0.05 -2.08 0.00 0.00 0.00 176.54 174.03 1rzr h VAL 50 N -0.64 0.93 0.00 4.60 2.07 -1.71 -1.97 116.25 119.53 1rzr h VAL 50 Ca 0.02 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1rzr h VAL 50 Cb 0.66 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1rzr h VAL 50 CO -0.22 0.02 0.00 0.23 0.02 0.00 0.00 177.57 177.63 1rzr n MET 51 N -5.07 0.18 0.05 1.57 2.81 0.02 -3.10 117.12 113.58 1rzr n MET 51 Ca -0.03 0.05 -0.11 0.00 -1.81 0.00 0.00 57.70 55.80 1rzr n MET 51 Cb 0.08 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 30.96 1rzr n MET 51 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1rzr h SER 52 N 0.00 0.16 -0.14 7.83 0.02 0.37 -3.32 113.55 118.47 1rzr h SER 52 Ca 0.00 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1rzr h SER 52 Cb 0.34 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1rzr h SER 52 CO 0.00 1.17 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.65 1rzr h LEU 53 N 0.03 -0.43 -1.59 5.07 -0.00 -1.44 -3.47 115.31 113.48 1rzr h LEU 53 Ca -0.14 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1rzr h LEU 53 Cb 1.91 0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.78 1rzr h LEU 53 CO 0.14 -0.18 0.00 0.61 -0.00 0.00 0.00 178.44 179.01 1rzr n GLY 54 N -1.28 0.46 3.74 0.83 0.00 -1.25 -5.03 105.19 102.65 1rzr n GLY 54 Ca -0.03 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.60 3.47 0.42 -0.61 1.01 -1.26 -5.04 121.20 116.58 1rzr s ILE 55 Ca 0.00 1.22 0.07 0.00 0.00 0.00 0.00 60.65 61.93 1rzr s ILE 55 Cb 0.00 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 1rzr s ILE 55 CO 0.00 0.19 0.05 -1.10 0.00 0.00 0.00 174.94 174.08 1rzr s GLN 56 N -0.14 2.04 0.53 2.79 -0.21 -1.26 -3.03 119.66 120.39 1rzr s GLN 56 Ca 0.54 -2.07 -0.20 0.00 0.02 0.00 0.00 55.36 53.65 1rzr s GLN 56 Cb -0.34 -1.72 -0.08 0.00 1.00 0.00 0.00 33.01 31.88 1rzr s GLN 56 CO 0.37 -0.10 0.89 1.17 -2.12 0.00 0.00 175.29 175.50 1rzr n LYS 57 N -1.07 0.98 -1.33 2.91 4.81 -1.26 -1.98 118.16 121.23 1rzr n LYS 57 Ca -0.05 0.37 -0.08 0.00 -0.87 0.00 0.00 58.31 57.68 1rzr n LYS 57 Cb 0.66 -2.03 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 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 1.35 0.86 3.93 3.14 0.00 0.33 -4.99 105.19 109.81 1rzr n GLY 58 Ca 0.12 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.30 3.79 -0.29 4.61 0.00 -0.84 -4.89 121.76 121.85 1rzr s ALA 59 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1rzr s ALA 59 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 21.11 1rzr s ALA 59 CO 0.00 0.30 0.02 0.99 0.00 0.00 0.00 175.76 177.07 1rzr s THR 60 N -1.99 3.38 0.18 0.00 2.01 -1.26 -0.19 115.64 117.75 1rzr s THR 60 Ca 0.39 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.46 1rzr s THR 60 Cb -0.10 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1rzr s THR 60 CO 0.30 0.03 -0.13 0.27 -0.69 0.00 0.00 174.62 174.41 1rzr s ILE 61 N 1.37 3.00 -0.15 1.82 -4.36 -0.66 -4.62 121.20 117.60 1rzr s ILE 61 Ca -0.01 -1.71 -0.02 0.00 -0.26 0.00 0.00 60.65 58.66 1rzr s ILE 61 Cb -0.18 -2.47 0.05 0.00 1.25 0.00 0.00 42.46 41.11 1rzr s ILE 61 CO -0.00 -0.09 0.01 -0.89 0.24 0.00 0.00 174.94 174.21 1rzr s THR 62 N -1.64 0.61 0.08 8.37 2.01 -0.90 -1.31 115.64 122.86 1rzr s THR 62 Ca 0.23 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1rzr s THR 62 Cb -0.09 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1rzr s THR 62 CO 0.14 0.00 0.18 0.27 -0.69 0.00 0.00 174.62 174.52 1rzr s ILE 63 N 1.84 5.08 -0.06 1.82 -4.36 -0.66 -0.34 121.20 124.51 1rzr s ILE 63 Ca 0.01 -0.58 -0.03 0.00 -0.26 0.00 0.00 60.65 59.79 1rzr s ILE 63 Cb -0.15 -3.50 0.04 0.00 1.25 0.00 0.00 42.46 40.10 1rzr s ILE 63 CO -0.07 0.09 0.15 -0.44 0.24 0.00 0.00 174.94 174.90 1rzr s SER 64 N -2.61 -0.11 -0.32 4.36 0.01 0.18 -1.80 113.70 113.42 1rzr s SER 64 Ca 0.33 0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.86 1rzr s SER 64 Cb -0.12 0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.35 1rzr s SER 64 CO 0.26 -0.14 0.04 0.00 0.41 0.00 0.00 173.24 173.81 1rzr s ALA 65 N 1.13 2.90 -0.17 1.44 0.00 -0.95 0.10 121.76 126.20 1rzr s ALA 65 Ca -0.09 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.06 1rzr s ALA 65 Cb -0.11 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 20.98 1rzr s ALA 65 CO -0.06 -1.33 -0.15 -1.83 0.00 0.00 0.00 175.76 172.39 1rzr s GLU 66 N 1.28 2.46 0.00 0.00 1.03 -1.04 -3.70 118.70 118.73 1rzr s GLU 66 Ca -0.03 -0.74 0.00 0.00 0.03 0.00 0.00 54.97 54.22 1rzr s GLU 66 Cb -0.20 -2.36 0.00 0.00 -0.80 0.00 0.00 34.13 30.77 1rzr s GLU 66 CO -0.00 -0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.05 1rzr n GLY 67 N 4.69 0.33 0.00 -3.83 0.00 -1.26 -0.88 105.19 104.24 1rzr n GLY 67 Ca -0.18 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1rzr n GLY 67 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rzr n SER 68 N 3.00 0.00 -1.94 1.61 7.64 -1.26 -0.99 113.62 121.68 1rzr n SER 68 Ca 0.00 0.31 -0.18 0.00 1.01 0.00 0.00 58.87 60.01 1rzr n SER 68 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1rzr n SER 68 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1rzr n ASP 69 N -0.74 6.54 -0.00 6.43 5.75 -1.26 -4.69 116.55 128.58 1rzr n ASP 69 Ca 0.00 -3.11 -0.02 0.00 -0.01 0.00 0.00 54.79 51.65 1rzr n ASP 69 Cb 0.00 -1.06 -0.01 0.00 -1.03 0.00 0.00 41.12 39.01 1rzr n ASP 69 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1rzr h GLU 70 N 1.56 -0.08 -0.55 0.11 4.11 -1.35 -0.54 114.58 117.83 1rzr h GLU 70 Ca 0.31 0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.78 1rzr h GLU 70 Cb 0.90 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1rzr h GLU 70 CO 0.81 -0.05 0.33 0.00 0.07 0.00 0.00 179.01 180.16 1rzr h ALA 71 N -1.26 0.71 -0.44 1.06 0.00 -1.83 0.18 119.26 117.69 1rzr h ALA 71 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1rzr h ALA 71 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1rzr h ALA 71 CO -0.07 0.04 0.52 0.22 0.00 0.00 0.00 179.25 179.96 1rzr h ASP 72 N 0.64 0.00 0.00 0.00 3.58 -1.84 0.17 116.42 118.97 1rzr h ASP 72 Ca 0.23 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.49 1rzr h ASP 72 Cb 0.04 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1rzr h ASP 72 CO -0.11 0.00 -1.02 0.00 -2.88 0.00 0.00 179.24 175.23 1rzr h ALA 73 N 1.38 0.21 0.00 -0.78 0.00 0.84 -3.31 119.26 117.60 1rzr h ALA 73 Ca 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1rzr h ALA 73 Cb 1.24 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1rzr h ALA 73 CO -0.00 0.58 0.05 1.25 0.00 0.00 0.00 179.25 181.13 1rzr h LEU 74 N -1.00 0.00 0.23 0.00 5.85 0.10 0.14 115.31 120.63 1rzr h LEU 74 Ca -0.28 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.10 1rzr h LEU 74 Cb 1.21 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.27 1rzr h LEU 74 CO -0.17 0.00 -1.59 0.00 -0.34 0.00 0.00 178.44 176.34 1rzr h ALA 75 N 1.86 -0.04 -0.02 1.25 0.00 -0.88 -3.20 119.26 118.23 1rzr h ALA 75 Ca 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 54.91 53.69 1rzr h ALA 75 Cb 0.10 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rzr h ALA 75 CO 0.00 0.82 -0.97 0.00 0.00 0.00 0.00 179.25 179.10 1rzr h ALA 76 N 0.13 0.25 0.00 0.00 0.00 -1.04 -1.71 119.26 116.89 1rzr h ALA 76 Ca -0.29 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1rzr h ALA 76 Cb 2.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1rzr h ALA 76 CO 0.24 0.74 0.00 -0.07 0.00 0.00 0.00 179.25 180.15 1rzr h LEU 77 N 0.35 0.00 0.04 0.00 3.38 -0.97 0.54 115.31 118.65 1rzr h LEU 77 Ca -0.10 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.54 1rzr h LEU 77 Cb 1.61 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 1rzr h LEU 77 CO 0.18 0.00 -1.95 1.21 0.09 0.00 0.00 178.44 177.97 1rzr n GLU 78 N -2.56 0.68 -0.21 1.13 2.13 -1.08 -2.65 120.64 118.09 1rzr n GLU 78 Ca -0.01 0.24 -0.05 0.00 0.66 0.00 0.00 57.16 57.99 1rzr n GLU 78 Cb 0.09 -1.71 0.04 0.00 0.27 0.00 0.00 31.44 30.14 1rzr n GLU 78 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1rzr h ASP 79 N 0.02 0.67 0.12 4.31 3.58 0.71 -2.42 116.42 123.41 1rzr h ASP 79 Ca -0.39 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 1rzr h ASP 79 Cb 2.04 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.93 1rzr h ASP 79 CO 0.06 0.48 -0.06 0.74 -2.88 0.00 0.00 179.24 177.58 1rzr h THR 80 N 0.79 1.07 -1.12 2.25 2.02 -0.32 -0.96 112.91 116.64 1rzr h THR 80 Ca 0.23 -0.95 0.39 0.00 0.77 0.00 0.00 66.41 66.85 1rzr h THR 80 Cb -0.06 1.65 -0.12 0.00 -1.74 0.00 0.00 68.15 67.89 1rzr h THR 80 CO -0.07 0.22 0.71 0.23 0.37 0.00 0.00 175.52 176.99 1rzr n MET 81 N -4.95 -0.03 -0.07 6.66 2.81 -1.03 0.70 117.12 121.21 1rzr n MET 81 Ca -0.09 1.04 -0.09 0.00 -1.81 0.00 0.00 57.70 56.75 1rzr n MET 81 Cb 0.25 -2.04 -0.09 0.00 -0.71 0.00 0.00 33.22 30.63 1rzr n MET 81 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1rzr n SER 82 N -4.38 2.23 -0.17 7.83 3.41 -0.94 -1.58 113.62 120.02 1rzr n SER 82 Ca 0.33 -0.04 -0.04 0.00 -0.26 0.00 0.00 58.87 58.86 1rzr n SER 82 Cb 1.28 0.29 0.05 0.00 -0.26 0.00 0.00 64.21 65.57 1rzr n SER 82 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1rzr h LYS 83 N 0.00 0.49 -0.42 4.33 3.64 0.32 0.79 116.57 125.72 1rzr h LYS 83 Ca -0.36 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1rzr h LYS 83 Cb 1.70 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1rzr h LYS 83 CO -0.02 0.32 0.00 -1.91 -2.27 0.00 0.00 179.45 175.57 1rzr n GLU 84 N -4.88 1.21 -2.16 1.90 4.07 0.22 -4.88 120.64 116.11 1rzr n GLU 84 Ca 0.05 -0.23 -0.03 0.00 -0.06 0.00 0.00 57.16 56.88 1rzr n GLU 84 Cb 0.14 -1.25 -0.00 0.00 -0.06 0.00 0.00 31.44 30.27 1rzr n GLU 84 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1rzr n GLY 85 N 0.38 -0.31 0.00 8.31 0.00 0.27 -4.79 105.19 109.06 1rzr n GLY 85 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.27 0.00 0.00 0.99 4.77 -0.62 -4.08 117.00 115.79 1rzr n LEU 86 Ca -0.04 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1rzr n LEU 86 Cb 0.43 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1rzr n LEU 86 CO 0.05 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1rzr n GLY 87 N 0.30 2.62 0.00 -0.72 0.00 -1.14 -1.54 105.19 104.71 1rzr n GLY 87 Ca 0.07 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1rzr n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48