#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiz n SER 2 N 0.00 3.30 -2.38 0.00 2.88 -1.26 -5.12 113.62 111.04 2aiz n SER 2 Ca 0.00 -0.03 -0.01 0.00 -1.33 0.00 0.00 58.87 57.51 2aiz n SER 2 Cb 0.00 0.21 -0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2aiz n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2aiz n SER 3 N -2.55 -8.82 0.01 -3.46 2.88 -1.26 -4.97 113.62 95.46 2aiz n SER 3 Ca -0.14 1.84 -0.21 0.00 -1.33 0.00 0.00 58.87 59.03 2aiz n SER 3 Cb 0.69 -5.26 -0.14 0.00 -0.75 0.00 0.00 64.21 58.76 2aiz n SER 3 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2aiz n SER 4 N 1.83 2.10 -3.73 -3.46 7.64 -1.26 -4.99 113.62 111.76 2aiz n SER 4 Ca -0.04 0.22 -0.14 0.00 1.01 0.00 0.00 58.87 59.93 2aiz n SER 4 Cb 0.06 -0.86 -0.08 0.00 -1.01 0.00 0.00 64.21 62.32 2aiz n SER 4 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2aiz s ASN 5 N -7.03 -0.25 -0.19 6.43 2.47 -1.26 -5.15 114.94 109.95 2aiz s ASN 5 Ca -0.22 0.17 -0.09 0.00 0.42 0.00 0.00 52.86 53.14 2aiz s ASN 5 Cb 0.07 0.34 -0.05 0.00 -1.45 0.00 0.00 41.25 40.16 2aiz s ASN 5 CO 0.78 -0.47 0.12 0.54 -3.72 0.00 0.00 177.10 174.35 2aiz s ASN 6 N -1.32 6.18 0.00 -4.21 2.20 -1.26 -4.98 114.94 111.55 2aiz s ASN 6 Ca -0.13 0.25 0.14 0.00 -0.94 0.00 0.00 52.86 52.18 2aiz s ASN 6 Cb -0.04 -2.07 -0.19 0.00 -2.00 0.00 0.00 41.25 36.94 2aiz s ASN 6 CO 0.05 0.21 0.73 -0.90 -2.94 0.00 0.00 177.10 174.25 2aiz n ASP 7 N 3.32 0.86 -2.27 3.54 5.68 -1.26 -4.97 116.55 121.44 2aiz n ASP 7 Ca -0.17 0.40 -0.18 0.00 -0.50 0.00 0.00 54.79 54.34 2aiz n ASP 7 Cb 0.52 0.04 0.01 0.00 -1.14 0.00 0.00 41.12 40.55 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2aiz n ALA 8 N -2.48 -0.65 -3.00 2.12 0.00 -1.26 -4.90 120.51 110.33 2aiz n ALA 8 Ca -0.14 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2aiz n ALA 8 Cb 0.96 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2aiz n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz n ALA 9 N -2.45 0.00 -0.32 0.00 0.00 -1.26 -5.11 120.51 111.37 2aiz n ALA 9 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2aiz n ALA 9 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2aiz n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiz n GLY 10 N 0.00 -0.16 3.47 0.00 0.00 -1.26 -5.09 105.19 102.15 2aiz n GLY 10 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2aiz n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aiz s ASN 11 N -2.72 -0.12 0.06 1.61 2.20 -1.26 -5.05 114.94 109.66 2aiz s ASN 11 Ca 0.00 -0.71 0.24 0.00 -0.94 0.00 0.00 52.86 51.45 2aiz s ASN 11 Cb 0.00 0.53 0.35 0.00 -2.00 0.00 0.00 41.25 40.13 2aiz s ASN 11 CO 0.00 -1.02 1.30 0.61 -2.94 0.00 0.00 177.10 175.05 2aiz n GLY 12 N -0.30 -1.31 0.51 0.45 0.00 -1.26 -4.13 105.19 99.15 2aiz n GLY 12 Ca -0.07 -0.32 0.33 0.00 0.00 0.00 0.00 46.02 45.96 2aiz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aiz h ALA 13 N 2.71 3.00 -1.47 4.61 0.00 -1.97 -3.41 119.26 122.73 2aiz h ALA 13 Ca 0.00 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 2aiz h ALA 13 Cb 0.65 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2aiz h ALA 13 CO 0.00 -1.37 -0.37 0.00 0.00 0.00 0.00 179.25 177.51 2aiz s ALA 14 N -4.89 4.09 0.41 0.00 0.00 -1.26 -5.01 121.76 115.10 2aiz s ALA 14 Ca -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.04 2aiz s ALA 14 Cb 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2aiz s ALA 14 CO 0.76 -0.24 0.00 1.04 0.00 0.00 0.00 175.76 177.32 2aiz n GLN 15 N -1.57 -4.55 -3.75 0.00 1.13 -1.26 -4.81 117.38 102.56 2aiz n GLN 15 Ca 0.04 3.33 -0.29 0.00 -1.94 0.00 0.00 57.00 58.14 2aiz n GLN 15 Cb 0.62 -3.70 -0.16 0.00 0.11 0.00 0.00 30.24 27.11 2aiz n GLN 15 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2aiz s THR 16 N -2.54 0.81 -0.52 5.09 -4.23 -1.26 -4.09 115.64 108.90 2aiz s THR 16 Ca 0.00 -1.07 -0.22 0.00 -1.18 0.00 0.00 61.69 59.22 2aiz s THR 16 Cb 0.00 -1.44 0.04 0.00 1.34 0.00 0.00 72.50 72.44 2aiz s THR 16 CO 0.00 -0.44 0.79 -0.36 -0.54 0.00 0.00 174.62 174.06 2aiz s PHE 17 N 1.69 2.93 0.00 3.99 0.08 0.45 -4.18 117.98 122.93 2aiz s PHE 17 Ca 0.04 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2aiz s PHE 17 Cb -0.17 -3.78 0.00 0.00 -0.57 0.00 0.00 43.02 38.50 2aiz s PHE 17 CO -0.17 -1.16 0.00 0.41 -0.10 0.00 0.00 175.22 174.20 2aiz n GLY 18 N 5.12 0.07 0.00 4.36 0.00 -1.26 -2.89 105.19 110.59 2aiz n GLY 18 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2aiz n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aiz n GLY 19 N 0.27 4.58 3.46 -0.02 0.00 -1.26 -4.77 105.19 107.45 2aiz n GLY 19 Ca 0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 2aiz n GLY 19 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2aiz n TYR 20 N 0.00 0.31 -4.57 1.61 4.11 -1.14 -4.94 117.16 112.54 2aiz n TYR 20 Ca 0.00 -2.65 -0.30 0.00 -0.00 0.00 0.00 57.90 54.95 2aiz n TYR 20 Cb 0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 39.34 39.21 2aiz n TYR 20 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2aiz s SER 21 N -3.60 4.16 0.22 9.48 0.15 -1.26 0.17 113.70 123.02 2aiz s SER 21 Ca 0.18 -1.49 -0.17 0.00 0.70 0.00 0.00 55.95 55.16 2aiz s SER 21 Cb 0.01 0.22 0.22 0.00 -1.71 0.00 0.00 66.02 64.76 2aiz s SER 21 CO 0.13 -0.77 1.57 0.58 1.20 0.00 0.00 173.24 175.95 2aiz h VAL 22 N 1.38 0.10 -0.08 4.45 2.07 -1.86 0.24 116.25 122.56 2aiz h VAL 22 Ca -0.43 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.11 2aiz h VAL 22 Cb 1.29 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2aiz h VAL 22 CO 0.73 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.69 2aiz h ALA 23 N 1.32 1.49 0.00 1.67 0.00 -1.92 -1.78 119.26 120.04 2aiz h ALA 23 Ca 0.31 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.80 2aiz h ALA 23 Cb 0.58 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2aiz h ALA 23 CO -0.84 -0.40 -2.49 -3.47 0.00 0.00 0.00 179.25 172.04 2aiz n ASP 24 N -3.04 1.97 0.30 0.00 2.03 0.71 -3.60 116.55 114.92 2aiz n ASP 24 Ca -0.00 0.06 0.19 0.00 0.52 0.00 0.00 54.79 55.55 2aiz n ASP 24 Cb 0.43 -0.58 0.97 0.00 -0.72 0.00 0.00 41.12 41.23 2aiz n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2aiz h LEU 25 N -0.39 0.00 0.00 -2.67 3.38 -0.51 0.87 115.31 115.99 2aiz h LEU 25 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2aiz h LEU 25 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2aiz h LEU 25 CO -0.22 0.00 -0.80 0.00 0.09 0.00 0.00 178.44 177.51 2aiz n GLN 26 N -3.25 2.08 0.00 1.13 6.02 -0.73 -4.03 117.38 118.60 2aiz n GLN 26 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2aiz n GLN 26 Cb 0.25 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.32 2aiz n GLN 26 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2aiz n GLN 27 N -1.42 2.28 -0.01 -1.09 6.02 -0.54 -4.94 117.38 117.68 2aiz n GLN 27 Ca 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.99 2aiz n GLN 27 Cb 0.24 -0.89 -0.01 0.00 1.02 0.00 0.00 30.24 30.60 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2aiz n ARG 28 N -1.44 0.12 -3.49 -1.09 1.74 0.29 -4.91 116.66 107.88 2aiz n ARG 28 Ca 0.00 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 2aiz n ARG 28 Cb 0.21 -0.59 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2aiz s TYR 29 N -1.74 4.02 0.00 -1.55 2.02 -0.81 -4.67 117.35 114.62 2aiz s TYR 29 Ca -0.07 -2.78 0.00 0.00 -0.37 0.00 0.00 57.07 53.86 2aiz s TYR 29 Cb 0.01 -3.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 2aiz s TYR 29 CO 0.10 -0.86 0.49 -1.71 -1.57 0.00 0.00 175.55 172.00 2aiz n ASN 30 N 2.70 0.03 -3.96 2.29 4.05 -1.26 -4.59 115.26 114.53 2aiz n ASN 30 Ca 0.21 -1.02 -0.17 0.00 0.45 0.00 0.00 54.58 54.05 2aiz n ASN 30 Cb 0.39 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 41.25 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2aiz s THR 31 N -0.02 0.48 0.09 -0.44 2.01 -1.26 0.25 115.64 116.76 2aiz s THR 31 Ca 0.00 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2aiz s THR 31 Cb 0.00 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2aiz s THR 31 CO 0.00 0.15 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.37 2aiz s VAL 32 N 0.03 3.88 -0.22 3.82 1.01 -0.96 -4.98 120.40 122.99 2aiz s VAL 32 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 2aiz s VAL 32 Cb -0.04 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2aiz s VAL 32 CO -0.00 0.12 -0.12 -0.31 0.00 0.00 0.00 175.10 174.79 2aiz s TYR 33 N -1.29 2.99 0.65 5.22 1.51 -1.26 -2.10 117.35 123.07 2aiz s TYR 33 Ca 0.25 -1.66 0.00 0.00 -1.01 0.00 0.00 57.07 54.65 2aiz s TYR 33 Cb -0.12 -1.99 0.09 0.00 -0.11 0.00 0.00 41.96 39.83 2aiz s TYR 33 CO 0.17 -0.77 0.90 -0.06 -1.11 0.00 0.00 175.55 174.69 2aiz s PHE 34 N 1.29 2.06 0.32 2.71 0.08 0.11 -4.87 117.98 119.68 2aiz s PHE 34 Ca 0.01 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.87 2aiz s PHE 34 Cb -0.16 -2.86 -0.00 0.00 -0.57 0.00 0.00 43.02 39.43 2aiz s PHE 34 CO -0.07 -1.37 0.03 0.41 -0.10 0.00 0.00 175.22 174.12 2aiz n GLY 35 N -2.62 3.70 3.73 4.36 0.00 -1.26 -4.80 105.19 108.29 2aiz n GLY 35 Ca 0.12 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 2aiz n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aiz s PHE 36 N -2.34 2.92 -0.42 1.61 5.36 -1.26 -2.06 117.98 121.78 2aiz s PHE 36 Ca 0.04 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2aiz s PHE 36 Cb 0.00 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2aiz s PHE 36 CO 0.03 -3.74 0.00 -0.40 -1.46 0.00 0.00 175.22 169.65 2aiz n ASP 37 N 3.36 -2.13 -4.61 6.13 5.68 -1.26 -4.88 116.55 118.85 2aiz n ASP 37 Ca 0.12 0.37 -0.39 0.00 -0.50 0.00 0.00 54.79 54.39 2aiz n ASP 37 Cb 0.37 -1.91 -0.09 0.00 -1.14 0.00 0.00 41.12 38.35 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2aiz s LYS 38 N -4.91 4.02 -0.41 0.11 2.47 -0.88 -4.96 119.74 115.19 2aiz s LYS 38 Ca 0.00 0.13 0.05 0.00 -1.56 0.00 0.00 55.97 54.59 2aiz s LYS 38 Cb 0.00 -3.66 0.43 0.00 -1.46 0.00 0.00 37.83 33.14 2aiz s LYS 38 CO 0.00 -0.31 1.20 0.98 0.16 0.00 0.00 175.35 177.38 2aiz n TYR 39 N 5.41 3.15 -3.74 4.03 9.36 -1.26 -4.58 117.16 129.53 2aiz n TYR 39 Ca -0.07 -2.76 -0.13 0.00 3.32 0.00 0.00 57.90 58.26 2aiz n TYR 39 Cb 0.50 -0.25 -0.08 0.00 -0.63 0.00 0.00 39.34 38.88 2aiz n TYR 39 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2aiz s ASP 40 N -3.42 -0.22 0.48 2.98 1.11 -1.26 -4.82 116.67 111.51 2aiz s ASP 40 Ca 0.50 0.11 0.00 0.00 0.18 0.00 0.00 52.55 53.34 2aiz s ASP 40 Cb 0.41 0.33 0.01 0.00 1.07 0.00 0.00 42.92 44.74 2aiz s ASP 40 CO -0.11 -0.48 0.70 -0.63 1.18 0.00 0.00 175.17 175.84 2aiz s ILE 41 N -1.44 3.65 -0.05 0.77 1.01 -1.26 -4.90 121.20 118.97 2aiz s ILE 41 Ca -0.13 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.01 2aiz s ILE 41 Cb -0.04 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2aiz s ILE 41 CO 0.04 -0.25 -0.06 -0.89 0.00 0.00 0.00 174.94 173.77 2aiz s THR 42 N -2.62 3.73 0.51 2.92 2.01 -1.26 -5.00 115.64 115.93 2aiz s THR 42 Ca 0.51 -0.54 0.36 0.00 0.31 0.00 0.00 61.69 62.32 2aiz s THR 42 Cb -0.10 -2.55 0.56 0.00 0.01 0.00 0.00 72.50 70.41 2aiz s THR 42 CO 0.38 0.55 1.74 1.23 -0.69 0.00 0.00 174.62 177.82 2aiz h GLY 43 N 5.05 0.35 1.72 4.40 0.00 -1.99 0.67 103.07 113.27 2aiz h GLY 43 Ca -0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2aiz h GLY 43 CO 0.53 -0.07 -0.03 0.83 0.00 0.00 0.00 176.54 177.80 2aiz h GLU 44 N 0.07 0.36 -0.01 4.80 4.39 -2.03 -2.62 114.58 119.54 2aiz h GLU 44 Ca 0.67 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.30 2aiz h GLU 44 Cb 2.46 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 31.05 2aiz h GLU 44 CO -0.10 0.42 -0.68 0.66 -1.16 0.00 0.00 179.01 178.14 2aiz n TYR 45 N -4.31 0.00 -0.25 4.33 4.01 0.22 -4.41 117.16 116.75 2aiz n TYR 45 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 2aiz n TYR 45 Cb 0.23 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.30 2aiz n TYR 45 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2aiz h VAL 46 N 1.47 1.23 -0.94 -0.72 2.07 -0.72 -2.85 116.25 115.79 2aiz h VAL 46 Ca 0.00 -0.63 0.28 0.00 0.82 0.00 0.00 66.70 67.17 2aiz h VAL 46 Cb 0.65 0.38 -0.15 0.00 -1.52 0.00 0.00 31.29 30.66 2aiz h VAL 46 CO 0.00 0.26 0.38 -0.61 0.02 0.00 0.00 177.57 177.62 2aiz h GLN 47 N 0.95 0.24 -0.17 1.57 -0.00 -1.77 0.19 115.11 116.12 2aiz h GLN 47 Ca 0.24 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.92 2aiz h GLN 47 Cb 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 27.48 27.47 2aiz h GLN 47 CO -0.03 0.16 -0.35 0.82 0.00 0.00 0.00 178.83 179.43 2aiz h ILE 48 N 0.25 0.24 -0.92 2.39 2.04 -1.81 0.23 117.51 119.94 2aiz h ILE 48 Ca 0.64 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.73 2aiz h ILE 48 Cb 1.38 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 2aiz h ILE 48 CO -0.65 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.06 2aiz h LEU 49 N -0.40 0.23 -0.21 1.44 4.07 -0.77 0.48 115.31 120.15 2aiz h LEU 49 Ca 0.10 0.03 -0.18 0.00 0.08 0.00 0.00 57.88 57.91 2aiz h LEU 49 Cb 0.57 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2aiz h LEU 49 CO -0.39 0.08 -0.56 -2.24 -1.08 0.00 0.00 178.44 174.25 2aiz h ASP 50 N 0.22 0.86 -0.13 -0.43 3.04 -0.18 0.04 116.42 119.85 2aiz h ASP 50 Ca 0.47 -0.57 -0.16 0.00 -3.24 0.00 0.00 57.03 53.52 2aiz h ASP 50 Cb 1.46 -0.25 0.01 0.00 -1.04 0.00 0.00 39.33 39.50 2aiz h ASP 50 CO -0.12 1.28 -0.54 0.00 -2.04 0.00 0.00 179.24 177.82 2aiz h ALA 51 N 0.60 0.24 -0.59 4.15 0.00 0.90 -2.32 119.26 122.25 2aiz h ALA 51 Ca -0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 2aiz h ALA 51 Cb 1.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2aiz h ALA 51 CO 0.12 0.45 0.00 0.45 0.00 0.00 0.00 179.25 180.28 2aiz h HIS 52 N 0.24 1.11 0.06 0.00 3.86 -0.24 -2.45 115.15 117.73 2aiz h HIS 52 Ca -0.03 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 58.99 2aiz h HIS 52 Cb 1.18 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2aiz h HIS 52 CO 0.10 0.98 -0.03 0.00 0.86 0.00 0.00 177.93 179.85 2aiz h ALA 53 N 1.05 -0.08 -0.96 2.45 0.00 -0.98 0.80 119.26 121.55 2aiz h ALA 53 Ca 0.17 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2aiz h ALA 53 Cb 0.54 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2aiz h ALA 53 CO 0.03 -0.49 0.62 0.00 0.00 0.00 0.00 179.25 179.40 2aiz h ALA 54 N 0.76 1.32 0.01 0.00 0.00 -1.37 0.42 119.26 120.40 2aiz h ALA 54 Ca -0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 2aiz h ALA 54 Cb 0.15 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2aiz h ALA 54 CO 0.01 0.41 -1.02 -0.92 0.00 0.00 0.00 179.25 177.73 2aiz h TYR 55 N 1.13 0.88 -0.19 0.00 3.20 -1.19 -2.18 116.97 118.61 2aiz h TYR 55 Ca 0.41 -0.48 -0.15 0.00 3.14 0.00 0.00 58.73 61.65 2aiz h TYR 55 Cb 0.14 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2aiz h TYR 55 CO -0.01 1.32 -0.50 1.25 -1.64 0.00 0.00 178.16 178.58 2aiz h LEU 56 N 0.32 0.57 -0.44 2.82 5.85 0.12 -2.97 115.31 121.58 2aiz h LEU 56 Ca -0.12 -0.29 -0.18 0.00 0.84 0.00 0.00 57.88 58.14 2aiz h LEU 56 Cb 1.67 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 2aiz h LEU 56 CO 0.19 0.97 -0.73 -1.13 -0.34 0.00 0.00 178.44 177.40 2aiz h ASN 57 N 0.42 0.38 0.32 1.25 -0.73 -0.25 -3.00 115.58 113.97 2aiz h ASN 57 Ca 0.02 -0.25 -0.01 0.00 1.87 0.00 0.00 56.30 57.92 2aiz h ASN 57 Cb 1.02 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.49 2aiz h ASN 57 CO 0.09 0.98 -0.06 0.00 -0.37 0.00 0.00 177.43 178.07 2aiz h ALA 58 N 1.01 1.23 -3.21 1.57 0.00 -1.26 -3.38 119.26 115.21 2aiz h ALA 58 Ca -0.03 -0.06 -0.68 0.00 0.00 0.00 0.00 54.91 54.15 2aiz h ALA 58 Cb 1.30 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.78 2aiz h ALA 58 CO 0.12 0.08 -0.70 0.95 0.00 0.00 0.00 179.25 179.70 2aiz s THR 59 N -4.18 3.28 0.12 0.00 -4.23 -1.13 -5.02 115.64 104.47 2aiz s THR 59 Ca -0.03 -0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 59.31 2aiz s THR 59 Cb 0.13 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 2aiz s THR 59 CO 0.54 0.11 1.71 1.55 -0.54 0.00 0.00 174.62 177.99 2aiz h PRO 60 N 8.09 -0.02 -0.70 3.99 0.13 -1.79 -2.35 132.00 139.35 2aiz h PRO 60 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2aiz h PRO 60 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2aiz h PRO 60 CO 0.58 -0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 2aiz n ALA 61 N -2.31 2.90 -2.65 -0.56 0.00 -1.26 -4.84 120.51 111.79 2aiz n ALA 61 Ca -0.04 -0.70 -0.40 0.00 0.00 0.00 0.00 53.44 52.30 2aiz n ALA 61 Cb 0.10 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 2aiz n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz s ALA 62 N -1.68 3.56 -0.04 0.00 0.00 -0.89 -5.06 121.76 117.66 2aiz s ALA 62 Ca 0.21 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2aiz s ALA 62 Cb 0.15 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 2aiz s ALA 62 CO 0.08 -0.58 -0.19 -1.59 0.00 0.00 0.00 175.76 173.48 2aiz s LYS 63 N 1.96 1.91 0.06 0.00 -2.85 -1.25 -4.80 119.74 114.76 2aiz s LYS 63 Ca 0.26 -0.67 0.01 0.00 -1.00 0.00 0.00 55.97 54.56 2aiz s LYS 63 Cb -0.16 -1.66 -0.04 0.00 -2.06 0.00 0.00 37.83 33.91 2aiz s LYS 63 CO 0.10 0.28 0.19 0.54 0.10 0.00 0.00 175.35 176.56 2aiz s VAL 64 N -0.04 5.25 -0.27 1.79 0.11 0.81 -4.81 120.40 123.24 2aiz s VAL 64 Ca -0.03 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 2aiz s VAL 64 Cb -0.12 -3.56 0.07 0.00 -1.53 0.00 0.00 36.38 31.24 2aiz s VAL 64 CO 0.02 0.14 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.65 2aiz s LEU 65 N -2.50 3.44 -0.58 2.54 0.20 0.51 0.64 118.68 122.94 2aiz s LEU 65 Ca 0.34 -1.50 -0.24 0.00 0.69 0.00 0.00 54.13 53.43 2aiz s LEU 65 Cb -0.13 -1.45 0.05 0.00 -0.43 0.00 0.00 46.19 44.23 2aiz s LEU 65 CO 0.27 -0.24 0.96 -0.69 -0.29 0.00 0.00 176.35 176.35 2aiz s VAL 66 N 1.15 4.35 -0.21 1.68 1.01 0.18 0.14 120.40 128.70 2aiz s VAL 66 Ca -0.04 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 2aiz s VAL 66 Cb -0.19 -4.59 -0.02 0.00 0.00 0.00 0.00 36.38 31.58 2aiz s VAL 66 CO -0.06 -1.22 0.61 -1.61 0.00 0.00 0.00 175.10 172.81 2aiz s GLU 67 N 4.03 4.18 -0.02 2.72 2.02 -0.88 -1.99 118.70 128.76 2aiz s GLU 67 Ca 0.28 0.56 0.06 0.00 0.02 0.00 0.00 54.97 55.89 2aiz s GLU 67 Cb -0.13 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.48 2aiz s GLU 67 CO 0.17 -0.27 -0.19 0.20 0.02 0.00 0.00 175.26 175.19 2aiz s GLY 68 N 1.27 1.47 -0.19 -1.39 0.00 -0.72 -0.69 107.32 107.06 2aiz s GLY 68 Ca 0.27 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.88 2aiz s GLY 68 CO 0.10 -0.90 0.30 0.54 0.00 0.00 0.00 173.10 173.14 2aiz s ASN 69 N -0.88 0.55 0.54 1.64 4.22 -0.89 -2.33 114.94 117.79 2aiz s ASN 69 Ca 0.12 0.29 0.09 0.00 -2.14 0.00 0.00 52.86 51.21 2aiz s ASN 69 Cb -0.10 0.81 0.07 0.00 1.28 0.00 0.00 41.25 43.30 2aiz s ASN 69 CO 0.01 -0.28 0.74 0.42 -2.04 0.00 0.00 177.10 175.95 2aiz s THR 70 N 2.45 2.37 0.35 0.54 -4.23 -1.26 -1.84 115.64 114.02 2aiz s THR 70 Ca 0.06 -0.98 -0.29 0.00 -1.18 0.00 0.00 61.69 59.30 2aiz s THR 70 Cb -0.14 -2.38 -0.11 0.00 1.34 0.00 0.00 72.50 71.20 2aiz s THR 70 CO -0.12 0.00 1.48 -0.90 -0.54 0.00 0.00 174.62 174.54 2aiz n ASP 71 N -2.16 3.63 -0.10 3.99 5.68 -1.26 -4.68 116.55 121.64 2aiz n ASP 71 Ca 0.14 1.20 0.26 0.00 -0.50 0.00 0.00 54.79 55.89 2aiz n ASP 71 Cb 0.61 -1.59 0.71 0.00 -1.14 0.00 0.00 41.12 39.71 2aiz n ASP 71 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2aiz h GLU 72 N 3.38 0.00 -5.72 0.11 -0.00 -1.97 -3.42 114.58 106.96 2aiz h GLU 72 Ca -0.49 0.00 -0.64 0.00 -0.00 0.00 0.00 59.36 58.23 2aiz h GLU 72 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.96 2aiz h GLU 72 CO 0.68 0.00 1.49 0.54 -0.00 0.00 0.00 179.01 181.72 2aiz n ARG 73 N -3.97 0.51 0.00 1.06 3.00 -1.26 -4.55 116.66 111.45 2aiz n ARG 73 Ca 0.16 0.11 0.00 0.00 -0.01 0.00 0.00 57.85 58.10 2aiz n ARG 73 Cb 0.92 -2.07 0.00 0.00 0.00 0.00 0.00 32.46 31.32 2aiz n ARG 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2aiz n GLY 74 N 6.76 -0.71 3.89 -0.13 0.00 -1.26 -4.96 105.19 108.77 2aiz n GLY 74 Ca 0.51 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 2aiz n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aiz s THR 75 N -0.89 5.37 0.57 2.61 -4.23 -1.26 -4.84 115.64 112.96 2aiz s THR 75 Ca 0.00 0.12 0.33 0.00 -1.18 0.00 0.00 61.69 60.96 2aiz s THR 75 Cb 0.00 -3.53 0.48 0.00 1.34 0.00 0.00 72.50 70.79 2aiz s THR 75 CO 0.00 0.41 1.75 -0.65 -0.54 0.00 0.00 174.62 175.60 2aiz h PRO 76 N 4.17 0.00 -0.38 3.99 0.11 -1.93 0.63 132.00 138.59 2aiz h PRO 76 Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2aiz h PRO 76 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2aiz h PRO 76 CO 0.65 0.00 0.17 0.93 -0.21 0.00 0.00 178.00 179.54 2aiz h GLU 77 N 0.00 0.56 0.00 1.05 4.39 -1.98 1.89 114.58 120.50 2aiz h GLU 77 Ca 0.45 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2aiz h GLU 77 Cb 2.06 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 2aiz h GLU 77 CO -0.00 0.52 -0.88 0.98 -1.16 0.00 0.00 179.01 178.47 2aiz n TYR 78 N -4.68 0.71 0.13 4.33 9.36 0.06 -2.65 117.16 124.42 2aiz n TYR 78 Ca -0.00 0.21 0.08 0.00 3.32 0.00 0.00 57.90 61.51 2aiz n TYR 78 Cb 0.13 -0.77 0.04 0.00 -0.63 0.00 0.00 39.34 38.11 2aiz n TYR 78 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2aiz h ASN 79 N 0.00 0.00 0.48 2.98 2.35 0.52 0.11 115.58 122.02 2aiz h ASN 79 Ca 0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 2aiz h ASN 79 Cb 0.87 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2aiz h ASN 79 CO 0.00 0.18 -1.48 -0.29 -1.65 0.00 0.00 177.43 174.18 2aiz h ILE 80 N 0.00 1.21 -0.02 2.81 6.09 0.29 -2.61 117.51 125.28 2aiz h ILE 80 Ca -0.03 -2.84 -0.01 0.00 -1.37 0.00 0.00 64.86 60.62 2aiz h ILE 80 Cb 1.16 2.79 -0.00 0.00 0.47 0.00 0.00 36.82 41.24 2aiz h ILE 80 CO 0.02 0.83 -0.01 0.00 -3.07 0.00 0.00 178.15 175.92 2aiz h ALA 81 N 0.51 0.03 -0.64 0.18 0.00 -1.52 1.28 119.26 119.09 2aiz h ALA 81 Ca -0.22 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.60 2aiz h ALA 81 Cb 2.01 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 2aiz h ALA 81 CO 0.17 -0.26 0.20 -0.07 0.00 0.00 0.00 179.25 179.29 2aiz h LEU 82 N -0.33 0.14 0.10 0.00 -0.00 -0.87 0.18 115.31 114.53 2aiz h LEU 82 Ca 0.01 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 2aiz h LEU 82 Cb 0.41 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2aiz h LEU 82 CO 0.00 0.07 -0.05 1.23 -0.00 0.00 0.00 178.44 179.70 2aiz h GLY 83 N 0.35 -0.14 -0.54 0.83 0.00 -1.35 -2.65 103.07 99.58 2aiz h GLY 83 Ca 0.34 0.05 0.33 0.00 0.00 0.00 0.00 47.33 48.06 2aiz h GLY 83 CO -0.37 -0.05 0.73 -1.61 0.00 0.00 0.00 176.54 175.23 2aiz h GLN 84 N -0.88 0.26 -0.16 4.80 5.75 0.19 1.12 115.11 126.18 2aiz h GLN 84 Ca -0.01 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2aiz h GLN 84 Cb 0.56 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 2aiz h GLN 84 CO 0.02 0.17 -0.05 0.00 -2.65 0.00 0.00 178.83 176.33 2aiz h ARG 85 N 0.27 0.32 -0.93 1.69 3.08 -0.67 0.73 114.38 118.88 2aiz h ARG 85 Ca 0.69 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.66 2aiz h ARG 85 Cb 1.92 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.90 2aiz h ARG 85 CO -0.37 0.61 0.60 0.00 -1.07 0.00 0.00 179.97 179.74 2aiz h ARG 86 N 0.02 1.08 -0.43 0.04 3.08 0.12 0.21 114.38 118.51 2aiz h ARG 86 Ca 0.04 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2aiz h ARG 86 Cb 0.50 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2aiz h ARG 86 CO 0.02 0.71 -0.12 0.00 -1.07 0.00 0.00 179.97 179.51 2aiz h ALA 87 N 1.48 0.99 -0.06 0.04 0.00 1.00 -1.58 119.26 121.13 2aiz h ALA 87 Ca 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2aiz h ALA 87 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2aiz h ALA 87 CO -0.13 0.60 -0.11 -0.44 0.00 0.00 0.00 179.25 179.17 2aiz h ASP 88 N 0.70 0.08 0.69 0.00 5.19 0.34 0.29 116.42 123.70 2aiz h ASP 88 Ca 0.12 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2aiz h ASP 88 Cb 0.60 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.10 2aiz h ASP 88 CO 0.04 0.20 -0.33 0.00 -3.12 0.00 0.00 179.24 176.03 2aiz h ALA 89 N 1.81 -0.98 -0.71 3.45 0.00 0.18 -1.06 119.26 121.95 2aiz h ALA 89 Ca 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2aiz h ALA 89 Cb 0.24 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2aiz h ALA 89 CO 0.02 -0.92 0.31 0.28 0.00 0.00 0.00 179.25 178.93 2aiz h VAL 90 N -1.17 1.24 -0.91 0.00 2.07 -1.28 -0.96 116.25 115.24 2aiz h VAL 90 Ca -0.09 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.74 2aiz h VAL 90 Cb 0.71 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2aiz h VAL 90 CO 0.16 0.30 0.60 0.07 0.02 0.00 0.00 177.57 178.71 2aiz h LYS 91 N 1.00 1.09 0.00 1.57 5.09 -0.46 0.74 116.57 125.60 2aiz h LYS 91 Ca 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.91 2aiz h LYS 91 Cb 0.18 -0.25 0.00 0.00 0.10 0.00 0.00 32.23 32.26 2aiz h LYS 91 CO -0.02 0.72 0.00 0.78 -2.09 0.00 0.00 179.45 178.84 2aiz h GLY 92 N 1.12 0.00 0.51 0.07 0.00 -0.72 -2.17 103.07 101.88 2aiz h GLY 92 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 2aiz h GLY 92 CO -0.12 0.00 -0.24 -1.82 0.00 0.00 0.00 176.54 174.36 2aiz h TYR 93 N 0.00 -0.63 -0.54 5.60 5.03 0.49 -1.48 116.97 125.43 2aiz h TYR 93 Ca 0.00 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.35 2aiz h TYR 93 Cb 0.76 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.22 2aiz h TYR 93 CO 0.00 -0.39 0.36 -0.07 -1.32 0.00 0.00 178.16 176.74 2aiz h LEU 94 N -1.16 0.44 -1.14 2.82 3.38 -1.42 0.10 115.31 118.33 2aiz h LEU 94 Ca -0.07 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2aiz h LEU 94 Cb 0.52 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2aiz h LEU 94 CO 0.11 0.29 0.58 0.00 0.09 0.00 0.00 178.44 179.52 2aiz h ALA 95 N 1.70 1.41 0.00 1.53 0.00 -1.33 0.14 119.26 122.71 2aiz h ALA 95 Ca 0.23 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2aiz h ALA 95 Cb 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2aiz h ALA 95 CO -0.06 0.53 -0.32 0.78 0.00 0.00 0.00 179.25 180.18 2aiz h GLY 96 N 1.15 0.00 1.70 0.00 0.00 0.29 -2.21 103.07 104.00 2aiz h GLY 96 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2aiz h GLY 96 CO -0.09 0.00 -0.09 0.28 0.00 0.00 0.00 176.54 176.64 2aiz n LYS 97 N -3.72 0.11 0.00 4.80 5.02 -0.17 -4.89 118.16 119.31 2aiz n LYS 97 Ca -0.01 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2aiz n LYS 97 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aiz n GLY 98 N 1.46 1.15 3.62 0.72 0.00 -0.75 -5.07 105.19 106.31 2aiz n GLY 98 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2aiz n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aiz s VAL 99 N -2.00 3.53 0.49 1.61 1.01 0.30 -4.95 120.40 120.40 2aiz s VAL 99 Ca 0.00 0.58 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 2aiz s VAL 99 Cb 0.00 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 2aiz s VAL 99 CO 0.00 -0.31 1.33 -1.81 0.00 0.00 0.00 175.10 174.32 2aiz s ASP 100 N 5.18 5.72 0.34 3.32 1.11 -1.26 -3.75 116.67 127.34 2aiz s ASP 100 Ca 0.77 2.71 0.03 0.00 0.18 0.00 0.00 52.55 56.24 2aiz s ASP 100 Cb -0.25 -2.63 0.65 0.00 1.07 0.00 0.00 42.92 41.75 2aiz s ASP 100 CO 0.32 -1.26 1.97 0.00 1.18 0.00 0.00 175.17 177.38 2aiz h ALA 101 N 1.95 1.60 -0.11 5.23 0.00 -1.92 -0.99 119.26 125.03 2aiz h ALA 101 Ca -0.50 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.40 2aiz h ALA 101 Cb 1.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2aiz h ALA 101 CO 0.59 0.31 0.13 0.78 0.00 0.00 0.00 179.25 181.07 2aiz h GLY 102 N 0.86 0.00 -1.14 0.00 0.00 -2.01 0.11 103.07 100.89 2aiz h GLY 102 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2aiz h GLY 102 CO -0.09 0.00 -0.35 0.58 0.00 0.00 0.00 176.54 176.68 2aiz n LYS 103 N -3.74 1.48 -3.60 4.80 2.85 -0.42 -4.95 118.16 114.60 2aiz n LYS 103 Ca -0.00 -1.15 -0.31 0.00 -1.05 0.00 0.00 58.31 55.79 2aiz n LYS 103 Cb 0.23 -1.44 -0.05 0.00 -0.65 0.00 0.00 35.03 33.13 2aiz n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2aiz s LEU 104 N -2.28 4.23 -0.03 -5.58 1.43 0.39 -0.13 118.68 116.70 2aiz s LEU 104 Ca 0.19 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 53.93 2aiz s LEU 104 Cb 0.17 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.99 2aiz s LEU 104 CO 0.49 0.00 0.08 -0.83 0.23 0.00 0.00 176.35 176.32 2aiz s GLY 105 N -2.49 -0.03 -0.01 -3.19 0.00 0.21 -4.86 107.32 96.94 2aiz s GLY 105 Ca 0.43 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.25 2aiz s GLY 105 CO 0.24 0.10 0.09 -0.51 0.00 0.00 0.00 173.10 173.02 2aiz s THR 106 N -0.21 0.06 0.31 0.90 -4.23 -1.26 0.47 115.64 111.67 2aiz s THR 106 Ca -0.03 -0.46 -0.19 0.00 -1.18 0.00 0.00 61.69 59.83 2aiz s THR 106 Cb -0.02 -0.28 0.04 0.00 1.34 0.00 0.00 72.50 73.58 2aiz s THR 106 CO 0.00 -0.25 0.77 0.68 -0.54 0.00 0.00 174.62 175.28 2aiz s VAL 107 N -0.82 0.00 -0.28 2.29 -7.23 -0.84 -4.93 120.40 108.59 2aiz s VAL 107 Ca -0.09 -0.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.96 2aiz s VAL 107 Cb -0.05 -2.34 0.10 0.00 0.56 0.00 0.00 36.38 34.65 2aiz s VAL 107 CO 0.00 0.00 0.76 -0.55 -0.31 0.00 0.00 175.10 175.01 2aiz s SER 108 N -2.99 -0.85 -0.25 4.85 0.15 -1.26 -1.76 113.70 111.60 2aiz s SER 108 Ca 0.13 1.34 0.11 0.00 0.70 0.00 0.00 55.95 58.23 2aiz s SER 108 Cb -0.05 1.42 0.48 0.00 -1.71 0.00 0.00 66.02 66.15 2aiz s SER 108 CO 0.08 -0.21 1.39 -1.22 1.20 0.00 0.00 173.24 174.49 2aiz n TYR 109 N 4.27 0.81 0.00 3.44 4.01 -0.98 -4.88 117.16 123.82 2aiz n TYR 109 Ca -0.19 -1.41 0.00 0.00 -0.16 0.00 0.00 57.90 56.15 2aiz n TYR 109 Cb 0.58 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2aiz n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aiz n GLY 110 N -1.05 0.00 0.12 2.72 0.00 -1.26 -1.18 105.19 104.54 2aiz n GLY 110 Ca 0.28 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.45 2aiz n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2aiz n GLU 111 N 0.00 0.96 0.26 1.61 4.71 -1.26 -4.16 120.64 122.76 2aiz n GLU 111 Ca 0.00 -0.24 -0.13 0.00 -0.01 0.00 0.00 57.16 56.78 2aiz n GLU 111 Cb 0.00 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 28.87 2aiz n GLU 111 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2aiz h GLU 112 N 0.58 -0.76 -2.57 3.49 4.57 -1.53 -3.40 114.58 114.96 2aiz h GLU 112 Ca 0.00 0.05 -0.58 0.00 -1.18 0.00 0.00 59.36 57.65 2aiz h GLU 112 Cb 0.23 0.17 -0.39 0.00 -0.16 0.00 0.00 28.75 28.60 2aiz h GLU 112 CO 0.00 -0.50 -0.86 0.15 -1.18 0.00 0.00 179.01 176.62 2aiz s LYS 113 N -5.01 0.56 1.06 1.92 1.02 -0.95 -5.14 119.74 113.20 2aiz s LYS 113 Ca -0.13 -1.37 -0.11 0.00 0.02 0.00 0.00 55.97 54.38 2aiz s LYS 113 Cb 0.02 -1.30 0.22 0.00 -0.52 0.00 0.00 37.83 36.26 2aiz s LYS 113 CO 0.42 -1.22 1.07 -2.30 -0.92 0.00 0.00 175.35 172.39 2aiz n PRO 114 N 3.98 -1.54 -0.03 -1.68 -0.02 -1.26 -4.91 135.00 129.54 2aiz n PRO 114 Ca 0.13 -0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 61.17 2aiz n PRO 114 Cb 0.38 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 2aiz n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aiz n ALA 115 N -4.65 1.34 -2.55 3.55 0.00 -1.26 -4.93 120.51 112.01 2aiz n ALA 115 Ca 0.07 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 2aiz n ALA 115 Cb 0.53 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 2aiz n ALA 115 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2aiz s VAL 116 N -2.04 4.72 0.20 0.00 1.01 -1.26 -5.03 120.40 118.00 2aiz s VAL 116 Ca -0.13 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2aiz s VAL 116 Cb 0.02 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 2aiz s VAL 116 CO 0.19 -0.62 1.24 -0.76 0.00 0.00 0.00 175.10 175.15 2aiz s LEU 117 N 3.11 4.44 0.00 3.92 1.02 -1.26 -4.86 118.68 125.05 2aiz s LEU 117 Ca 0.28 2.31 0.00 0.00 0.02 0.00 0.00 54.13 56.74 2aiz s LEU 117 Cb -0.13 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.47 2aiz s LEU 117 CO 0.20 -0.42 0.00 0.61 0.02 0.00 0.00 176.35 176.76 2aiz n GLY 118 N 2.15 2.46 2.66 -3.19 0.00 -1.26 -4.91 105.19 103.10 2aiz n GLY 118 Ca 0.05 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 2aiz n GLY 118 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2aiz n HIS 119 N -1.74 1.37 -4.24 1.61 -0.00 -1.26 -4.80 115.22 106.16 2aiz n HIS 119 Ca 0.00 -2.74 -0.15 0.00 0.46 0.00 0.00 57.72 55.29 2aiz n HIS 119 Cb 0.00 -0.34 -0.10 0.00 -0.12 0.00 0.00 29.99 29.43 2aiz n HIS 119 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2aiz s ASP 120 N -3.24 1.82 0.40 0.26 1.11 -1.26 -4.98 116.67 110.79 2aiz s ASP 120 Ca 0.29 -0.92 0.24 0.00 0.18 0.00 0.00 52.55 52.34 2aiz s ASP 120 Cb 0.44 -0.03 1.31 0.00 1.07 0.00 0.00 42.92 45.71 2aiz s ASP 120 CO 0.01 -0.26 1.64 -0.08 1.18 0.00 0.00 175.17 177.66 2aiz h GLU 121 N 3.12 0.15 0.74 8.23 4.57 -1.98 0.47 114.58 129.87 2aiz h GLU 121 Ca -0.38 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.76 2aiz h GLU 121 Cb 1.19 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2aiz h GLU 121 CO 0.58 0.10 -0.49 0.00 -1.18 0.00 0.00 179.01 178.02 2aiz h ALA 122 N 1.71 -1.25 -0.58 2.92 0.00 -1.99 0.51 119.26 120.59 2aiz h ALA 122 Ca 0.79 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 2aiz h ALA 122 Cb 2.24 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 20.63 2aiz h ALA 122 CO -0.50 -1.22 0.03 0.00 0.00 0.00 0.00 179.25 177.56 2aiz h ALA 123 N -1.15 0.77 0.40 0.00 0.00 -1.40 -2.47 119.26 115.40 2aiz h ALA 123 Ca -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2aiz h ALA 123 Cb 0.94 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2aiz h ALA 123 CO 0.08 0.58 -0.33 1.88 0.00 0.00 0.00 179.25 181.46 2aiz h TYR 124 N 0.89 -0.87 -0.74 0.00 -1.99 -0.01 0.40 116.97 114.64 2aiz h TYR 124 Ca 0.17 0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.00 2aiz h TYR 124 Cb 0.51 0.33 -0.05 0.00 2.00 0.00 0.00 36.73 39.52 2aiz h TYR 124 CO 0.04 -0.48 0.49 1.03 -0.00 0.00 0.00 178.16 179.24 2aiz h SER 125 N -0.73 0.55 1.16 3.88 0.87 0.04 0.19 113.55 119.50 2aiz h SER 125 Ca -0.03 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2aiz h SER 125 Cb 0.64 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2aiz h SER 125 CO -0.01 0.32 -0.17 0.11 -0.53 0.00 0.00 176.83 176.55 2aiz h LYS 126 N 0.60 0.00 0.15 2.24 1.57 -0.92 -3.29 116.57 116.93 2aiz h LYS 126 Ca 0.35 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.90 2aiz h LYS 126 Cb 0.53 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.86 2aiz h LYS 126 CO -0.12 0.17 -1.03 -0.91 -0.57 0.00 0.00 179.45 176.99 2aiz h ASN 127 N 0.00 0.51 -0.09 0.86 2.35 0.15 -3.39 115.58 115.97 2aiz h ASN 127 Ca -0.00 -0.93 -0.62 0.00 -0.55 0.00 0.00 56.30 54.20 2aiz h ASN 127 Cb 0.79 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 39.02 2aiz h ASN 127 CO 0.02 1.48 2.25 -2.11 -1.65 0.00 0.00 177.43 177.43 2aiz n ARG 128 N -4.03 1.75 -4.28 0.81 0.00 -0.89 -4.21 116.66 105.81 2aiz n ARG 128 Ca -0.16 -2.07 -0.18 0.00 -0.00 0.00 0.00 57.85 55.43 2aiz n ARG 128 Cb 0.88 -3.09 -0.13 0.00 -0.00 0.00 0.00 32.46 30.12 2aiz n ARG 128 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2aiz s ARG 129 N 4.93 0.78 -0.50 2.89 1.70 -0.77 0.05 118.95 128.03 2aiz s ARG 129 Ca 0.57 -0.65 0.02 0.00 -0.47 0.00 0.00 55.73 55.20 2aiz s ARG 129 Cb 0.12 -0.74 0.13 0.00 -0.57 0.00 0.00 34.95 33.89 2aiz s ARG 129 CO 0.09 0.18 0.26 0.00 -1.08 0.00 0.00 175.30 174.75 2aiz s ALA 130 N -0.80 3.28 -0.34 7.88 0.00 -0.89 -2.10 121.76 128.78 2aiz s ALA 130 Ca -0.00 -3.05 -0.27 0.00 0.00 0.00 0.00 51.96 48.64 2aiz s ALA 130 Cb -0.07 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.78 2aiz s ALA 130 CO 0.01 -1.95 0.96 0.08 0.00 0.00 0.00 175.76 174.85 2aiz s VAL 131 N 0.16 4.59 -0.53 0.00 1.01 0.13 -2.26 120.40 123.50 2aiz s VAL 131 Ca 0.15 1.37 -0.26 0.00 0.00 0.00 0.00 61.98 63.24 2aiz s VAL 131 Cb -0.23 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 2aiz s VAL 131 CO -0.03 -0.48 2.20 -0.76 0.00 0.00 0.00 175.10 176.04 2aiz s LEU 132 N 3.46 3.37 -0.18 3.92 2.01 0.14 -2.07 118.68 129.32 2aiz s LEU 132 Ca 0.40 0.84 -0.08 0.00 0.01 0.00 0.00 54.13 55.29 2aiz s LEU 132 Cb -0.12 -2.55 -0.04 0.00 0.01 0.00 0.00 46.19 43.48 2aiz s LEU 132 CO 0.17 -2.67 0.08 0.00 1.01 0.00 0.00 176.35 174.94 2aiz s ALA 133 N 10.94 3.48 -2.22 4.21 0.00 0.38 -4.84 121.76 133.71 2aiz s ALA 133 Ca 0.86 -0.73 0.30 0.00 0.00 0.00 0.00 51.96 52.40 2aiz s ALA 133 Cb -0.16 -1.98 1.53 0.00 0.00 0.00 0.00 23.12 22.51 2aiz s ALA 133 CO 0.24 0.19 2.02 0.66 0.00 0.00 0.00 175.76 178.86