#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 1.64 -0.46 0.00 3.41 -1.26 -4.68 113.62 112.26 2aiz n SER 2 Ca 0.00 -3.25 0.01 0.00 -0.26 0.00 0.00 58.87 55.37 2aiz n SER 2 Cb 0.00 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.52 2aiz n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2aiz n SER 3 N -0.58 0.24 -0.09 4.04 7.64 -1.26 -4.88 113.62 118.73 2aiz n SER 3 Ca 0.16 -2.11 -0.13 0.00 1.01 0.00 0.00 58.87 57.79 2aiz n SER 3 Cb 0.85 -0.22 -0.07 0.00 -1.01 0.00 0.00 64.21 63.76 2aiz n SER 3 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2aiz n SER 4 N -0.14 1.83 -3.65 6.43 2.88 -1.26 -4.93 113.62 114.78 2aiz n SER 4 Ca 0.02 0.53 -0.20 0.00 -1.33 0.00 0.00 58.87 57.88 2aiz n SER 4 Cb 0.70 -0.92 -0.17 0.00 -0.75 0.00 0.00 64.21 63.07 2aiz n SER 4 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2aiz s ASN 5 N -6.31 1.28 -0.03 -3.46 4.22 -1.26 -5.14 114.94 104.24 2aiz s ASN 5 Ca -0.22 -0.00 -0.04 0.00 -2.14 0.00 0.00 52.86 50.46 2aiz s ASN 5 Cb 0.04 -0.06 0.01 0.00 1.28 0.00 0.00 41.25 42.52 2aiz s ASN 5 CO 0.41 -0.27 0.09 0.54 -2.04 0.00 0.00 177.10 175.83 2aiz s ASN 6 N 2.19 -0.07 -0.10 3.54 2.20 -1.26 -5.08 114.94 116.36 2aiz s ASN 6 Ca 0.04 0.13 -0.07 0.00 -0.94 0.00 0.00 52.86 52.02 2aiz s ASN 6 Cb -0.13 0.20 -0.02 0.00 -2.00 0.00 0.00 41.25 39.30 2aiz s ASN 6 CO -0.05 -0.08 -0.13 0.47 -2.94 0.00 0.00 177.10 174.37 2aiz n ASP 7 N 2.82 1.33 -2.68 3.54 8.00 -1.26 -5.10 116.55 123.18 2aiz n ASP 7 Ca -0.14 0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.90 2aiz n ASP 7 Cb 0.59 -0.78 0.01 0.00 -0.02 0.00 0.00 41.12 40.92 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aiz n ALA 8 N -3.26 -2.07 -1.48 2.24 0.00 -1.26 -5.16 120.51 109.52 2aiz n ALA 8 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2aiz n ALA 8 Cb 0.19 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.60 -1.95 0.07 0.00 0.00 -1.26 -4.72 120.51 111.05 2aiz n ALA 9 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2aiz n ALA 9 Cb 0.38 -1.33 0.32 0.00 0.00 0.00 0.00 19.45 18.82 2aiz n ALA 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2aiz h GLY 10 N 1.65 0.37 0.00 0.00 0.00 -2.04 -3.45 103.07 99.61 2aiz h GLY 10 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2aiz h GLY 10 CO 0.00 0.23 0.00 -2.01 0.00 0.00 0.00 176.54 174.76 2aiz n ASN 11 N -4.22 0.00 0.00 0.19 2.85 -1.26 -5.06 115.26 107.76 2aiz n ASN 11 Ca -0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 2aiz n ASN 11 Cb 0.31 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.29 2aiz n ASN 11 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2aiz h GLY 12 N 0.00 -0.13 1.22 8.20 0.00 -1.91 -3.30 103.07 107.15 2aiz h GLY 12 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.45 2aiz h GLY 12 CO 0.00 -0.05 0.32 0.00 0.00 0.00 0.00 176.54 176.81 2aiz h ALA 13 N -0.74 1.86 -2.37 3.60 0.00 -2.02 -3.42 119.26 116.16 2aiz h ALA 13 Ca -0.01 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.31 2aiz h ALA 13 Cb 0.33 0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.21 2aiz h ALA 13 CO 0.02 -0.45 0.71 0.00 0.00 0.00 0.00 179.25 179.53 2aiz n ALA 14 N -2.27 1.40 -2.91 0.00 0.00 -1.24 -5.00 120.51 110.49 2aiz n ALA 14 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2aiz n ALA 14 Cb 0.45 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2aiz n ALA 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2aiz n GLN 15 N 2.50 2.56 -3.70 0.00 1.13 -1.26 -5.03 117.38 113.57 2aiz n GLN 15 Ca 0.13 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.89 2aiz n GLN 15 Cb 0.31 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.53 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 0.88 1.29 -0.51 5.09 -4.23 -1.26 -3.47 115.64 113.43 2aiz s THR 16 Ca 0.00 -2.42 -0.22 0.00 -1.18 0.00 0.00 61.69 57.87 2aiz s THR 16 Cb 0.00 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 71.98 2aiz s THR 16 CO 0.00 -0.89 0.80 -0.36 -0.54 0.00 0.00 174.62 173.63 2aiz s PHE 17 N 0.48 2.92 -0.00 3.99 0.08 0.43 -4.15 117.98 121.73 2aiz s PHE 17 Ca 0.17 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.07 2aiz s PHE 17 Cb -0.24 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.42 2aiz s PHE 17 CO -0.01 -1.16 0.00 0.41 -0.10 0.00 0.00 175.22 174.36 2aiz n GLY 18 N 5.11 0.10 0.00 4.36 0.00 -1.26 -2.85 105.19 110.64 2aiz n GLY 18 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.25 2.91 3.50 -0.02 0.00 -1.26 -4.78 105.19 105.79 2aiz n GLY 19 Ca -0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 2aiz n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aiz s TYR 20 N -0.09 1.80 0.20 1.61 2.02 -1.13 -4.96 117.35 116.80 2aiz s TYR 20 Ca 0.00 -1.24 0.05 0.00 -0.37 0.00 0.00 57.07 55.51 2aiz s TYR 20 Cb 0.00 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 2aiz s TYR 20 CO 0.00 -0.26 0.23 0.45 -1.57 0.00 0.00 175.55 174.40 2aiz s SER 21 N -3.58 5.87 0.21 2.29 0.15 -1.23 0.16 113.70 117.57 2aiz s SER 21 Ca 0.26 -0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.70 2aiz s SER 21 Cb 0.03 -1.62 0.21 0.00 -1.71 0.00 0.00 66.02 62.94 2aiz s SER 21 CO 0.15 0.01 1.61 0.58 1.20 0.00 0.00 173.24 176.78 2aiz h VAL 22 N 1.62 0.28 0.00 4.45 2.07 -1.95 0.38 116.25 123.10 2aiz h VAL 22 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2aiz h VAL 22 Cb 1.22 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2aiz h VAL 22 CO 0.63 0.00 0.12 0.00 0.02 0.00 0.00 177.57 178.34 2aiz n ALA 23 N -3.13 0.85 -0.12 1.67 0.00 -1.26 -1.25 120.51 117.27 2aiz n ALA 23 Ca 0.07 0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 2aiz n ALA 23 Cb 0.35 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.68 2aiz n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2aiz n ASP 24 N -1.94 1.98 0.33 0.00 -0.08 0.12 -3.00 116.55 113.97 2aiz n ASP 24 Ca -0.01 0.13 0.20 0.00 -1.51 0.00 0.00 54.79 53.60 2aiz n ASP 24 Cb 0.13 -0.66 1.09 0.00 2.34 0.00 0.00 41.12 44.02 2aiz n ASP 24 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2aiz h LEU 25 N -0.46 0.00 0.00 -2.67 3.38 0.10 0.75 115.31 116.41 2aiz h LEU 25 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2aiz h LEU 25 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2aiz h LEU 25 CO -0.21 0.00 -0.68 0.00 0.09 0.00 0.00 178.44 177.64 2aiz n GLN 26 N -2.99 2.80 -0.01 1.13 10.64 -0.41 -4.11 117.38 124.42 2aiz n GLN 26 Ca -0.03 -0.01 -0.01 0.00 -1.83 0.00 0.00 57.00 55.12 2aiz n GLN 26 Cb 0.16 -1.08 -0.02 0.00 -0.86 0.00 0.00 30.24 28.44 2aiz n GLN 26 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2aiz n GLN 27 N -1.36 3.29 0.00 2.61 -0.06 -0.40 -4.95 117.38 116.51 2aiz n GLN 27 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 2aiz n GLN 27 Cb 0.20 -1.05 0.00 0.00 -4.06 0.00 0.00 30.24 25.33 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2aiz n ARG 28 N -2.13 0.00 -3.56 3.69 1.74 0.24 -5.00 116.66 111.64 2aiz n ARG 28 Ca -0.03 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 2aiz n ARG 28 Cb 0.56 -0.43 -0.09 0.00 -1.02 0.00 0.00 32.46 31.48 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 -2.00 3.34 0.00 -1.55 2.02 0.09 -4.67 117.35 114.57 2aiz s TYR 29 Ca 0.00 -1.52 0.00 0.00 -0.37 0.00 0.00 57.07 55.18 2aiz s TYR 29 Cb 0.00 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.45 2aiz s TYR 29 CO 0.00 -0.88 0.01 0.27 -1.57 0.00 0.00 175.55 173.38 2aiz n ASN 30 N 4.96 0.00 -4.36 2.29 2.04 -1.26 -4.10 115.26 114.83 2aiz n ASN 30 Ca -0.10 -0.20 -0.33 0.00 -0.44 0.00 0.00 54.58 53.51 2aiz n ASN 30 Cb 0.42 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.53 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2aiz s THR 31 N 0.00 3.10 0.11 5.53 2.01 -1.26 0.95 115.64 126.07 2aiz s THR 31 Ca 0.00 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.41 2aiz s THR 31 Cb 0.00 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2aiz s THR 31 CO 0.00 0.51 0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 2aiz s VAL 32 N 0.55 4.13 0.31 3.82 1.01 -0.93 -4.95 120.40 124.34 2aiz s VAL 32 Ca -0.08 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 60.98 2aiz s VAL 32 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2aiz s VAL 32 CO 0.03 0.06 0.08 -0.31 0.00 0.00 0.00 175.10 174.97 2aiz s TYR 33 N -1.43 2.69 0.23 5.22 1.51 -1.26 -1.53 117.35 122.79 2aiz s TYR 33 Ca 0.27 -0.33 -0.13 0.00 -1.01 0.00 0.00 57.07 55.87 2aiz s TYR 33 Cb -0.11 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 2aiz s TYR 33 CO 0.20 0.45 0.47 -0.06 -1.11 0.00 0.00 175.55 175.49 2aiz s PHE 34 N -2.40 0.28 0.33 2.71 0.40 -0.57 -4.61 117.98 114.12 2aiz s PHE 34 Ca 0.35 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 2aiz s PHE 34 Cb -0.04 0.20 0.04 0.00 0.51 0.00 0.00 43.02 43.74 2aiz s PHE 34 CO 0.21 -0.95 0.32 0.41 0.70 0.00 0.00 175.22 175.91 2aiz n GLY 35 N -0.36 2.56 3.71 4.36 0.00 -1.26 -4.70 105.19 109.49 2aiz n GLY 35 Ca -0.04 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 2aiz n GLY 35 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2aiz n PHE 36 N -1.43 2.67 -2.45 1.61 7.35 -1.26 -2.00 117.46 121.95 2aiz n PHE 36 Ca 0.02 -0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.68 2aiz n PHE 36 Cb 0.37 -2.68 -0.00 0.00 0.35 0.00 0.00 39.48 37.51 2aiz n PHE 36 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2aiz n ASP 37 N 4.47 -1.87 -4.82 -2.13 5.68 -1.26 -4.90 116.55 111.72 2aiz n ASP 37 Ca 0.17 0.40 -0.36 0.00 -0.50 0.00 0.00 54.79 54.49 2aiz n ASP 37 Cb 0.35 -1.70 -0.07 0.00 -1.14 0.00 0.00 41.12 38.56 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 -4.94 3.55 -0.53 0.11 2.20 -0.85 -5.03 119.74 114.24 2aiz s LYS 38 Ca 0.00 -0.19 0.07 0.00 -0.36 0.00 0.00 55.97 55.49 2aiz s LYS 38 Cb 0.00 -3.18 0.34 0.00 -1.51 0.00 0.00 37.83 33.47 2aiz s LYS 38 CO 0.00 0.66 0.88 2.48 -0.36 0.00 0.00 175.35 179.01 2aiz n TYR 39 N 2.35 2.99 -3.74 4.03 4.11 -1.26 -4.52 117.16 121.13 2aiz n TYR 39 Ca -0.19 -3.96 -0.13 0.00 -0.00 0.00 0.00 57.90 53.62 2aiz n TYR 39 Cb 0.54 -0.47 -0.08 0.00 -0.00 0.00 0.00 39.34 39.33 2aiz n TYR 39 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2aiz s ASP 40 N -3.12 -0.22 0.40 9.48 1.01 -1.26 -4.93 116.67 118.02 2aiz s ASP 40 Ca 0.46 0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.83 2aiz s ASP 40 Cb 0.29 0.34 -0.01 0.00 1.01 0.00 0.00 42.92 44.55 2aiz s ASP 40 CO -0.12 -0.49 0.60 -0.63 0.21 0.00 0.00 175.17 174.74 2aiz s ILE 41 N -1.53 4.30 -0.01 0.77 1.01 -1.26 -4.78 121.20 119.69 2aiz s ILE 41 Ca -0.12 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2aiz s ILE 41 Cb -0.04 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2aiz s ILE 41 CO 0.03 -0.36 -0.11 0.42 0.00 0.00 0.00 174.94 174.93 2aiz s THR 42 N -2.42 3.35 0.55 2.92 -4.23 -1.26 -5.00 115.64 109.54 2aiz s THR 42 Ca 0.45 -0.79 0.38 0.00 -1.18 0.00 0.00 61.69 60.56 2aiz s THR 42 Cb -0.10 -2.40 0.57 0.00 1.34 0.00 0.00 72.50 71.91 2aiz s THR 42 CO 0.36 0.46 1.76 1.23 -0.54 0.00 0.00 174.62 177.90 2aiz h GLY 43 N 4.84 0.00 1.73 3.99 0.00 -1.99 0.33 103.07 111.97 2aiz h GLY 43 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 2aiz h GLY 43 CO 0.51 0.00 -0.08 0.83 0.00 0.00 0.00 176.54 177.81 2aiz h GLU 44 N 0.00 0.34 -0.25 4.80 5.08 -2.03 -2.71 114.58 119.80 2aiz h GLU 44 Ca 0.61 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2aiz h GLU 44 Cb 2.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.67 2aiz h GLU 44 CO -0.01 0.43 0.00 0.66 -1.00 0.00 0.00 179.01 179.09 2aiz n TYR 45 N -4.28 0.31 -0.15 4.33 4.01 0.11 -4.49 117.16 117.00 2aiz n TYR 45 Ca 0.00 -0.18 -0.11 0.00 -0.16 0.00 0.00 57.90 57.45 2aiz n TYR 45 Cb 0.25 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.27 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 3.94 1.27 -1.10 -0.72 2.07 -1.07 -3.16 116.25 117.49 2aiz h VAL 46 Ca 0.00 -1.29 0.33 0.00 0.82 0.00 0.00 66.70 66.56 2aiz h VAL 46 Cb 0.89 1.16 -0.12 0.00 -1.52 0.00 0.00 31.29 31.69 2aiz h VAL 46 CO 0.00 0.44 0.68 0.06 0.02 0.00 0.00 177.57 178.77 2aiz h GLN 47 N 0.73 0.30 0.14 1.57 -0.00 -1.79 0.11 115.11 116.18 2aiz h GLN 47 Ca 0.11 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.75 2aiz h GLN 47 Cb 0.71 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 28.11 2aiz h GLN 47 CO 0.05 0.20 -0.16 0.82 -0.00 0.00 0.00 178.83 179.74 2aiz h ILE 48 N 0.31 0.64 -0.81 1.86 2.04 -1.88 0.90 117.51 120.57 2aiz h ILE 48 Ca 0.70 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.76 2aiz h ILE 48 Cb 1.81 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 2aiz h ILE 48 CO -0.45 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 178.18 2aiz h LEU 49 N -0.34 0.27 -0.11 1.44 4.07 -0.93 0.55 115.31 120.25 2aiz h LEU 49 Ca 0.01 0.02 -0.22 0.00 0.08 0.00 0.00 57.88 57.77 2aiz h LEU 49 Cb 0.34 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.06 2aiz h LEU 49 CO -0.06 0.12 -0.79 -0.78 -1.08 0.00 0.00 178.44 175.86 2aiz h ASP 50 N 0.27 0.88 -0.06 -0.43 3.58 -0.77 -1.67 116.42 118.22 2aiz h ASP 50 Ca 0.40 -0.66 -0.15 0.00 0.42 0.00 0.00 57.03 57.04 2aiz h ASP 50 Cb 1.16 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.96 2aiz h ASP 50 CO -0.10 1.40 -0.54 0.00 -2.88 0.00 0.00 179.24 177.12 2aiz h ALA 51 N 0.49 0.14 -0.73 -0.78 0.00 0.11 -2.42 119.26 116.08 2aiz h ALA 51 Ca -0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2aiz h ALA 51 Cb 1.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2aiz h ALA 51 CO 0.16 0.36 0.30 0.45 0.00 0.00 0.00 179.25 180.52 2aiz h HIS 52 N 0.01 1.09 -0.42 0.00 3.86 -0.11 -2.38 115.15 117.20 2aiz h HIS 52 Ca -0.05 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 2aiz h HIS 52 Cb 1.21 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 2aiz h HIS 52 CO 0.13 0.82 0.21 0.00 0.86 0.00 0.00 177.93 179.94 2aiz h ALA 53 N 1.27 0.54 -0.70 2.45 0.00 -1.30 0.64 119.26 122.15 2aiz h ALA 53 Ca 0.25 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2aiz h ALA 53 Cb 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2aiz h ALA 53 CO -0.02 0.10 0.43 0.00 0.00 0.00 0.00 179.25 179.76 2aiz h ALA 54 N 1.05 0.93 -0.12 0.00 0.00 -1.11 0.16 119.26 120.17 2aiz h ALA 54 Ca 0.14 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2aiz h ALA 54 Cb 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2aiz h ALA 54 CO -0.02 0.18 -0.68 -0.92 0.00 0.00 0.00 179.25 177.81 2aiz h TYR 55 N 0.82 0.92 -0.47 0.00 3.20 -1.12 -1.62 116.97 118.71 2aiz h TYR 55 Ca 0.29 -0.41 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2aiz h TYR 55 Cb 0.07 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2aiz h TYR 55 CO -0.05 1.23 0.28 1.25 -1.64 0.00 0.00 178.16 179.23 2aiz h LEU 56 N 0.35 0.57 -0.30 2.82 5.85 0.68 -2.57 115.31 122.70 2aiz h LEU 56 Ca -0.05 -0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 2aiz h LEU 56 Cb 1.32 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 2aiz h LEU 56 CO 0.14 0.46 -0.46 -1.13 -0.34 0.00 0.00 178.44 177.11 2aiz h ASN 57 N 0.62 0.92 -0.33 1.25 -1.24 -0.75 -3.00 115.58 113.05 2aiz h ASN 57 Ca 0.17 -0.51 0.10 0.00 0.71 0.00 0.00 56.30 56.76 2aiz h ASN 57 Cb 0.01 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 2aiz h ASN 57 CO -0.03 1.26 0.33 0.00 -1.29 0.00 0.00 177.43 177.69 2aiz h ALA 58 N 0.69 2.07 -3.29 1.57 0.00 -1.06 -3.36 119.26 115.88 2aiz h ALA 58 Ca 0.03 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.25 2aiz h ALA 58 Cb 1.06 0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.56 2aiz h ALA 58 CO 0.11 -0.50 -0.73 0.95 0.00 0.00 0.00 179.25 179.08 2aiz s THR 59 N -4.71 2.98 0.14 0.00 -4.23 -0.99 -5.02 115.64 103.81 2aiz s THR 59 Ca -0.05 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.20 2aiz s THR 59 Cb 0.16 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2aiz s THR 59 CO 0.59 0.14 1.67 -0.65 -0.54 0.00 0.00 174.62 175.82 2aiz h PRO 60 N 8.03 -0.15 -0.76 3.99 0.11 -1.79 -2.24 132.00 139.19 2aiz h PRO 60 Ca -0.31 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2aiz h PRO 60 Cb 1.10 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2aiz h PRO 60 CO 0.57 -0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 2aiz n ALA 61 N -2.60 3.25 -2.62 -0.75 0.00 -1.26 -4.86 120.51 111.67 2aiz n ALA 61 Ca -0.02 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 2aiz n ALA 61 Cb 0.22 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.97 3.60 -0.08 0.00 0.00 -0.85 -5.05 121.76 117.42 2aiz s ALA 62 Ca 0.30 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.82 2aiz s ALA 62 Cb 0.23 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 2aiz s ALA 62 CO 0.09 -0.83 -0.24 -1.59 0.00 0.00 0.00 175.76 173.20 2aiz s LYS 63 N 2.48 2.84 -0.01 0.00 -2.85 -1.25 -4.78 119.74 116.17 2aiz s LYS 63 Ca 0.25 -0.88 -0.05 0.00 -1.00 0.00 0.00 55.97 54.30 2aiz s LYS 63 Cb -0.15 -2.26 -0.04 0.00 -2.06 0.00 0.00 37.83 33.31 2aiz s LYS 63 CO 0.09 0.28 0.23 0.54 0.10 0.00 0.00 175.35 176.58 2aiz s VAL 64 N 0.10 5.37 -0.30 1.79 0.11 0.58 -4.85 120.40 123.19 2aiz s VAL 64 Ca -0.11 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2aiz s VAL 64 Cb -0.16 -3.54 0.06 0.00 -1.53 0.00 0.00 36.38 31.21 2aiz s VAL 64 CO 0.06 0.37 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.97 2aiz s LEU 65 N -1.78 3.95 -0.37 2.54 0.20 0.31 -0.11 118.68 123.42 2aiz s LEU 65 Ca 0.27 -1.45 -0.25 0.00 0.69 0.00 0.00 54.13 53.39 2aiz s LEU 65 Cb -0.13 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 43.98 2aiz s LEU 65 CO 0.16 -0.27 0.87 -0.69 -0.29 0.00 0.00 176.35 176.13 2aiz s VAL 66 N 1.17 4.64 -0.27 1.68 1.01 0.19 0.17 120.40 128.98 2aiz s VAL 66 Ca -0.04 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.85 2aiz s VAL 66 Cb -0.20 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 2aiz s VAL 66 CO -0.03 -0.52 0.23 -0.70 0.00 0.00 0.00 175.10 174.08 2aiz s GLU 67 N 3.34 3.97 0.24 2.72 2.12 -0.81 -1.25 118.70 129.03 2aiz s GLU 67 Ca 0.35 -0.24 -0.22 0.00 0.36 0.00 0.00 54.97 55.23 2aiz s GLU 67 Cb -0.12 -3.65 -0.09 0.00 0.26 0.00 0.00 34.13 30.53 2aiz s GLU 67 CO 0.19 -0.18 0.78 0.20 -0.54 0.00 0.00 175.26 175.70 2aiz s GLY 68 N 1.69 2.69 0.07 -1.50 0.00 0.31 0.42 107.32 110.99 2aiz s GLY 68 Ca 0.09 0.26 -0.06 0.00 0.00 0.00 0.00 44.72 45.01 2aiz s GLY 68 CO 0.10 0.65 0.11 -1.31 0.00 0.00 0.00 173.10 172.65 2aiz s ASN 69 N -1.59 0.26 0.05 1.64 0.01 0.38 -2.00 114.94 113.68 2aiz s ASN 69 Ca 0.44 -0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 51.74 2aiz s ASN 69 Cb -0.18 0.28 0.03 0.00 0.41 0.00 0.00 41.25 41.79 2aiz s ASN 69 CO 0.22 -0.67 0.37 0.35 -1.51 0.00 0.00 177.10 175.85 2aiz n THR 70 N 0.03 0.00 -1.18 1.60 -2.24 -0.90 -2.27 114.28 109.32 2aiz n THR 70 Ca -0.15 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 2aiz n THR 70 Cb 0.62 0.25 0.11 0.00 -2.10 0.00 0.00 70.33 69.21 2aiz n THR 70 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2aiz s ASP 71 N -1.85 3.89 0.29 3.42 -4.77 -1.26 -4.57 116.67 111.82 2aiz s ASP 71 Ca 0.08 2.17 0.08 0.00 -3.30 0.00 0.00 52.55 51.59 2aiz s ASP 71 Cb -0.01 -2.57 0.41 0.00 -1.09 0.00 0.00 42.92 39.67 2aiz s ASP 71 CO 0.01 -2.45 1.66 1.05 0.70 0.00 0.00 175.17 176.14 2aiz h GLU 72 N -0.95 0.12 -6.17 2.11 9.09 -1.91 -3.35 114.58 113.52 2aiz h GLU 72 Ca -0.45 -0.07 -0.71 0.00 0.05 0.00 0.00 59.36 58.18 2aiz h GLU 72 Cb 1.27 0.01 0.01 0.00 -1.65 0.00 0.00 28.75 28.39 2aiz h GLU 72 CO 0.48 0.62 0.97 0.54 0.05 0.00 0.00 179.01 181.66 2aiz n ARG 73 N -3.93 1.41 0.00 1.06 1.74 -1.26 -4.55 116.66 111.13 2aiz n ARG 73 Ca -0.02 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2aiz n ARG 73 Cb 0.55 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 2aiz n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aiz n GLY 74 N 4.34 -0.59 3.69 -0.13 0.00 -1.26 -4.95 105.19 106.29 2aiz n GLY 74 Ca 0.26 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.38 4.27 0.34 2.61 -4.23 -1.26 -4.90 115.64 112.09 2aiz s THR 75 Ca 0.00 -0.46 0.12 0.00 -1.18 0.00 0.00 61.69 60.17 2aiz s THR 75 Cb 0.00 -2.87 0.38 0.00 1.34 0.00 0.00 72.50 71.35 2aiz s THR 75 CO 0.00 0.45 1.58 -0.65 -0.54 0.00 0.00 174.62 175.46 2aiz h PRO 76 N 4.60 0.01 -0.49 3.99 0.11 -1.93 0.24 132.00 138.52 2aiz h PRO 76 Ca -0.50 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2aiz h PRO 76 Cb 1.18 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2aiz h PRO 76 CO 0.57 0.01 0.32 0.93 -0.21 0.00 0.00 178.00 179.62 2aiz h GLU 77 N 0.01 0.64 -0.26 1.05 4.39 -1.98 0.75 114.58 119.18 2aiz h GLU 77 Ca 0.73 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 60.25 2aiz h GLU 77 Cb 1.76 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2aiz h GLU 77 CO -0.84 0.42 -0.41 -0.92 -1.16 0.00 0.00 179.01 176.10 2aiz h TYR 78 N 0.66 0.90 0.00 4.33 5.03 -1.02 -2.66 116.97 124.21 2aiz h TYR 78 Ca 0.18 -0.31 0.00 0.00 2.58 0.00 0.00 58.73 61.19 2aiz h TYR 78 Cb -0.06 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.04 2aiz h TYR 78 CO -0.04 1.09 0.00 0.09 -1.32 0.00 0.00 178.16 177.97 2aiz n ASN 79 N -4.18 0.00 -0.16 -2.11 3.02 -0.20 -2.11 115.26 109.52 2aiz n ASN 79 Ca -0.05 0.54 0.09 0.00 -0.03 0.00 0.00 54.58 55.14 2aiz n ASN 79 Cb 0.54 -0.23 0.18 0.00 -0.61 0.00 0.00 39.78 39.66 2aiz n ASN 79 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2aiz n ILE 80 N -1.18 -0.20 0.43 2.41 -0.00 0.26 0.12 119.36 121.20 2aiz n ILE 80 Ca 0.00 1.02 -0.18 0.00 -0.00 0.00 0.00 62.75 63.59 2aiz n ILE 80 Cb 0.00 -1.54 -0.09 0.00 -0.00 0.00 0.00 39.64 38.02 2aiz n ILE 80 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2aiz h ALA 81 N 0.95 -1.11 -0.53 -1.39 0.00 -1.50 1.09 119.26 116.77 2aiz h ALA 81 Ca 0.32 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2aiz h ALA 81 Cb 0.72 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 2aiz h ALA 81 CO -0.42 -1.05 -0.23 1.25 0.00 0.00 0.00 179.25 178.79 2aiz h LEU 82 N -1.25 -0.79 -0.85 0.00 7.12 0.15 0.19 115.31 119.89 2aiz h LEU 82 Ca -0.11 0.19 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 2aiz h LEU 82 Cb 0.86 0.44 -0.04 0.00 -0.53 0.00 0.00 40.66 41.39 2aiz h LEU 82 CO 0.19 -0.25 0.47 1.23 -0.13 0.00 0.00 178.44 179.94 2aiz h GLY 83 N -0.10 1.26 0.14 3.75 0.00 -1.03 -2.02 103.07 105.07 2aiz h GLY 83 Ca 0.24 -0.57 0.18 0.00 0.00 0.00 0.00 47.33 47.19 2aiz h GLY 83 CO -0.60 0.54 0.58 -1.61 0.00 0.00 0.00 176.54 175.46 2aiz h GLN 84 N 1.18 0.72 -0.63 4.80 4.15 0.42 0.62 115.11 126.37 2aiz h GLN 84 Ca 0.30 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.60 2aiz h GLN 84 Cb 0.02 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 2aiz h GLN 84 CO -0.05 0.48 0.11 -0.09 -1.93 0.00 0.00 178.83 177.35 2aiz h ARG 85 N 0.74 1.01 -1.00 1.69 2.43 -0.42 -1.25 114.38 117.58 2aiz h ARG 85 Ca 0.56 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 2aiz h ARG 85 Cb 0.85 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 2aiz h ARG 85 CO -0.38 0.92 0.66 0.00 -1.51 0.00 0.00 179.97 179.66 2aiz h ARG 86 N 0.95 1.26 -0.43 0.20 2.47 0.47 0.47 114.38 119.77 2aiz h ARG 86 Ca 0.19 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.80 2aiz h ARG 86 Cb 0.40 -0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 2aiz h ARG 86 CO 0.01 0.83 0.12 0.00 0.56 0.00 0.00 179.97 181.49 2aiz h ALA 87 N 1.40 1.40 -0.30 0.04 0.00 0.01 -1.37 119.26 120.45 2aiz h ALA 87 Ca 0.39 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2aiz h ALA 87 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2aiz h ALA 87 CO -0.11 0.44 -0.14 -0.44 0.00 0.00 0.00 179.25 178.99 2aiz h ASP 88 N 0.62 0.50 0.01 0.00 3.32 0.16 0.41 116.42 121.44 2aiz h ASP 88 Ca 0.14 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2aiz h ASP 88 Cb 0.22 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2aiz h ASP 88 CO -0.01 0.67 -0.00 0.00 -1.72 0.00 0.00 179.24 178.18 2aiz h ALA 89 N 1.38 -0.01 -0.05 3.45 0.00 -0.09 -1.09 119.26 122.84 2aiz h ALA 89 Ca 0.09 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 2aiz h ALA 89 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2aiz h ALA 89 CO 0.03 -0.39 -0.90 0.28 0.00 0.00 0.00 179.25 178.28 2aiz h VAL 90 N -0.25 1.33 -0.90 0.00 2.07 -1.29 -2.06 116.25 115.14 2aiz h VAL 90 Ca -0.00 -2.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.30 2aiz h VAL 90 Cb 0.24 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2aiz h VAL 90 CO 0.00 0.68 0.52 0.07 0.02 0.00 0.00 177.57 178.86 2aiz h LYS 91 N 0.37 1.24 0.00 1.57 5.09 -0.19 -1.59 116.57 123.06 2aiz h LYS 91 Ca -0.08 -0.13 -0.12 0.00 0.09 0.00 0.00 60.65 60.42 2aiz h LYS 91 Cb 1.53 -0.25 -0.02 0.00 0.10 0.00 0.00 32.23 33.59 2aiz h LYS 91 CO 0.17 0.89 -0.55 0.78 -2.09 0.00 0.00 179.45 178.65 2aiz h GLY 92 N 1.26 0.00 1.00 0.07 0.00 -1.20 -2.25 103.07 101.94 2aiz h GLY 92 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 2aiz h GLY 92 CO -0.06 0.00 -0.35 -1.82 0.00 0.00 0.00 176.54 174.32 2aiz h TYR 93 N 0.00 -0.90 -0.21 5.60 5.03 -0.56 0.24 116.97 126.18 2aiz h TYR 93 Ca -0.01 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 2aiz h TYR 93 Cb 1.16 0.30 -0.01 0.00 1.55 0.00 0.00 36.73 39.73 2aiz h TYR 93 CO 0.00 -0.55 0.06 -0.07 -1.32 0.00 0.00 178.16 176.28 2aiz h LEU 94 N -0.96 0.26 -0.85 2.82 3.38 -1.44 -1.11 115.31 117.41 2aiz h LEU 94 Ca -0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2aiz h LEU 94 Cb 0.74 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2aiz h LEU 94 CO 0.15 0.26 0.39 0.00 0.09 0.00 0.00 178.44 179.34 2aiz h ALA 95 N 1.78 1.10 0.00 1.53 0.00 -0.75 -1.74 119.26 121.18 2aiz h ALA 95 Ca 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2aiz h ALA 95 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2aiz h ALA 95 CO -0.00 0.67 -0.32 0.78 0.00 0.00 0.00 179.25 180.38 2aiz h GLY 96 N 1.21 0.00 2.00 0.00 0.00 0.72 -2.18 103.07 104.82 2aiz h GLY 96 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2aiz h GLY 96 CO -0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.79 2aiz n LYS 97 N -3.72 0.06 0.00 4.80 5.02 -0.72 -4.84 118.16 118.76 2aiz n LYS 97 Ca -0.01 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2aiz n LYS 97 Cb 0.42 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.34 0.92 3.72 0.72 0.00 -0.82 -5.10 105.19 104.98 2aiz n GLY 98 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 4.78 1.03 1.61 1.01 -0.79 -5.01 120.40 121.03 2aiz s VAL 99 Ca 0.00 1.88 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 2aiz s VAL 99 Cb 0.00 -4.24 0.21 0.00 0.00 0.00 0.00 36.38 32.35 2aiz s VAL 99 CO 0.00 0.25 1.09 -0.62 0.00 0.00 0.00 175.10 175.82 2aiz s ASP 100 N 0.54 2.03 0.05 3.32 -1.08 -1.26 -4.07 116.67 116.19 2aiz s ASP 100 Ca 0.46 1.88 0.09 0.00 -0.52 0.00 0.00 52.55 54.46 2aiz s ASP 100 Cb -0.21 -2.45 -0.22 0.00 -1.46 0.00 0.00 42.92 38.58 2aiz s ASP 100 CO 0.26 -3.61 1.02 0.00 0.52 0.00 0.00 175.17 173.36 2aiz h ALA 101 N -2.22 0.53 -0.04 3.66 0.00 -1.96 -3.30 119.26 115.93 2aiz h ALA 101 Ca -0.52 -1.14 0.01 0.00 0.00 0.00 0.00 54.91 53.26 2aiz h ALA 101 Cb 1.30 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2aiz h ALA 101 CO 0.46 1.39 0.08 0.78 0.00 0.00 0.00 179.25 181.96 2aiz h GLY 102 N 3.21 0.00 -1.04 0.00 0.00 -2.01 0.69 103.07 103.93 2aiz h GLY 102 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2aiz h GLY 102 CO 0.11 0.00 -0.36 0.58 0.00 0.00 0.00 176.54 176.87 2aiz n LYS 103 N -3.44 1.38 -3.30 4.80 2.85 -1.24 -4.94 118.16 114.26 2aiz n LYS 103 Ca -0.02 -1.12 -0.32 0.00 -1.05 0.00 0.00 58.31 55.81 2aiz n LYS 103 Cb 0.16 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.01 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 -2.39 4.12 -0.09 -5.58 1.43 0.23 -0.31 118.68 116.10 2aiz s LEU 104 Ca 0.21 1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 54.26 2aiz s LEU 104 Cb 0.19 -3.81 0.02 0.00 0.03 0.00 0.00 46.19 42.62 2aiz s LEU 104 CO 0.51 -0.13 0.22 -0.83 0.23 0.00 0.00 176.35 176.36 2aiz s GLY 105 N -2.41 -0.16 0.09 -3.19 0.00 0.85 -4.87 107.32 97.63 2aiz s GLY 105 Ca 0.49 0.67 0.04 0.00 0.00 0.00 0.00 44.72 45.92 2aiz s GLY 105 CO 0.21 0.62 -0.12 -0.51 0.00 0.00 0.00 173.10 173.30 2aiz s THR 106 N 0.25 1.01 -0.01 0.90 -4.23 -1.26 0.57 115.64 112.87 2aiz s THR 106 Ca -0.01 -1.51 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 2aiz s THR 106 Cb -0.03 -1.24 0.12 0.00 1.34 0.00 0.00 72.50 72.69 2aiz s THR 106 CO -0.01 -0.43 1.28 0.68 -0.54 0.00 0.00 174.62 175.60 2aiz s VAL 107 N -2.00 0.00 -0.27 2.29 -7.23 -0.38 -4.89 120.40 107.91 2aiz s VAL 107 Ca 0.03 -0.23 -0.24 0.00 -1.81 0.00 0.00 61.98 59.72 2aiz s VAL 107 Cb -0.06 -2.07 0.09 0.00 0.56 0.00 0.00 36.38 34.90 2aiz s VAL 107 CO 0.01 0.00 0.81 -0.94 -0.31 0.00 0.00 175.10 174.67 2aiz s SER 108 N -3.04 -0.67 -0.10 4.85 1.04 -1.26 0.11 113.70 114.63 2aiz s SER 108 Ca 0.15 1.28 0.15 0.00 0.48 0.00 0.00 55.95 58.01 2aiz s SER 108 Cb 0.04 1.29 0.23 0.00 0.10 0.00 0.00 66.02 67.69 2aiz s SER 108 CO -0.03 -0.22 1.12 -1.22 0.98 0.00 0.00 173.24 173.87 2aiz n TYR 109 N 2.67 0.00 0.00 5.02 4.02 -0.85 -4.73 117.16 123.29 2aiz n TYR 109 Ca -0.14 -0.81 0.00 0.00 -0.01 0.00 0.00 57.90 56.94 2aiz n TYR 109 Cb 0.56 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 2aiz n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aiz n GLY 110 N -1.17 0.00 0.40 2.72 0.00 -1.25 0.12 105.19 106.02 2aiz n GLY 110 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2aiz n GLY 110 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2aiz n GLU 111 N 0.00 1.51 0.12 1.61 0.00 -1.26 -4.26 120.64 118.36 2aiz n GLU 111 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 57.16 56.21 2aiz n GLU 111 Cb 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 31.44 30.10 2aiz n GLU 111 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2aiz h GLU 112 N 1.37 -0.73 -2.77 3.44 4.57 0.61 -3.37 114.58 117.70 2aiz h GLU 112 Ca 0.00 0.05 -0.59 0.00 -1.18 0.00 0.00 59.36 57.64 2aiz h GLU 112 Cb 0.31 0.17 -0.39 0.00 -0.16 0.00 0.00 28.75 28.67 2aiz h GLU 112 CO 0.00 -0.49 -0.80 0.15 -1.18 0.00 0.00 179.01 176.69 2aiz s LYS 113 N -5.79 0.90 0.94 1.92 -0.14 -1.24 -5.14 119.74 111.19 2aiz s LYS 113 Ca -0.17 -1.65 -0.11 0.00 -1.36 0.00 0.00 55.97 52.68 2aiz s LYS 113 Cb 0.06 -1.78 0.09 0.00 -1.68 0.00 0.00 37.83 34.52 2aiz s LYS 113 CO 0.61 -1.19 0.77 -2.30 -0.76 0.00 0.00 175.35 172.48 2aiz n PRO 114 N 3.80 -0.40 -0.00 -1.68 -0.02 -1.26 -5.02 135.00 130.42 2aiz n PRO 114 Ca 0.11 -0.06 -0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2aiz n PRO 114 Cb 0.36 -2.11 -0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 -3.94 1.69 -2.66 3.55 0.00 -1.26 -4.95 120.51 112.94 2aiz n ALA 115 Ca 0.09 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 2aiz n ALA 115 Cb 0.53 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.12 4.49 0.21 0.00 1.01 -1.26 -5.02 120.40 118.71 2aiz s VAL 116 Ca -0.01 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2aiz s VAL 116 Cb 0.00 -4.48 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 2aiz s VAL 116 CO 0.02 -1.02 1.31 -0.76 0.00 0.00 0.00 175.10 174.65 2aiz s LEU 117 N 3.68 4.42 0.00 3.92 1.02 -1.26 -4.83 118.68 125.63 2aiz s LEU 117 Ca 0.28 2.43 0.00 0.00 0.02 0.00 0.00 54.13 56.87 2aiz s LEU 117 Cb -0.13 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.46 2aiz s LEU 117 CO 0.19 -0.53 0.00 0.61 0.02 0.00 0.00 176.35 176.63 2aiz n GLY 118 N 2.23 2.17 2.49 -3.19 0.00 -1.26 -4.93 105.19 102.70 2aiz n GLY 118 Ca 0.06 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 2aiz n GLY 118 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2aiz s HIS 119 N -1.53 0.61 -0.04 1.61 2.46 -1.26 -4.77 115.29 112.37 2aiz s HIS 119 Ca 0.00 -1.68 -0.31 0.00 0.47 0.00 0.00 55.06 53.54 2aiz s HIS 119 Cb 0.00 -0.80 0.12 0.00 -0.13 0.00 0.00 32.58 31.76 2aiz s HIS 119 CO 0.00 -0.86 1.17 0.34 -2.47 0.00 0.00 174.74 172.92 2aiz s ASP 120 N 0.84 -0.13 0.64 9.88 -1.08 -1.26 -5.00 116.67 120.55 2aiz s ASP 120 Ca 0.22 -0.12 0.22 0.00 -0.52 0.00 0.00 52.55 52.35 2aiz s ASP 120 Cb -0.14 0.23 1.09 0.00 -1.46 0.00 0.00 42.92 42.65 2aiz s ASP 120 CO -0.05 -0.41 1.60 -0.33 0.52 0.00 0.00 175.17 176.50 2aiz h GLU 121 N 2.00 0.00 0.30 4.34 4.39 -1.99 0.29 114.58 123.90 2aiz h GLU 121 Ca -0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2aiz h GLU 121 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2aiz h GLU 121 CO 0.26 0.00 -0.14 0.00 -1.16 0.00 0.00 179.01 177.97 2aiz h ALA 122 N 0.92 -0.43 -0.32 3.43 0.00 -1.98 -2.21 119.26 118.68 2aiz h ALA 122 Ca 0.13 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2aiz h ALA 122 Cb 1.48 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2aiz h ALA 122 CO -0.00 -0.40 -0.50 0.00 0.00 0.00 0.00 179.25 178.35 2aiz h ALA 123 N -1.19 0.49 -0.41 0.00 0.00 -1.65 -2.30 119.26 114.18 2aiz h ALA 123 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2aiz h ALA 123 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2aiz h ALA 123 CO 0.07 0.67 0.26 1.88 0.00 0.00 0.00 179.25 182.13 2aiz h TYR 124 N 0.69 0.54 -0.14 0.00 -1.99 -0.63 0.03 116.97 115.48 2aiz h TYR 124 Ca 0.03 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 2aiz h TYR 124 Cb 1.11 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 2aiz h TYR 124 CO 0.07 0.36 -0.19 1.03 -0.00 0.00 0.00 178.16 179.43 2aiz h SER 125 N 0.55 0.22 1.15 3.88 0.87 -1.39 -0.96 113.55 117.87 2aiz h SER 125 Ca 0.15 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 2aiz h SER 125 Cb -0.02 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2aiz h SER 125 CO -0.03 0.43 -0.35 0.11 -0.53 0.00 0.00 176.83 176.46 2aiz h LYS 126 N 0.21 0.00 0.00 2.24 1.57 -0.77 -3.20 116.57 116.63 2aiz h LYS 126 Ca 0.04 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.57 2aiz h LYS 126 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 2aiz h LYS 126 CO 0.03 0.35 -1.47 -0.91 -0.57 0.00 0.00 179.45 176.88 2aiz h ASN 127 N 0.00 0.00 -0.55 0.86 2.35 -0.37 -3.43 115.58 114.43 2aiz h ASN 127 Ca -0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 2aiz h ASN 127 Cb 1.03 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 2aiz h ASN 127 CO 0.05 0.90 0.61 -0.13 -1.65 0.00 0.00 177.43 177.21 2aiz s ARG 128 N -2.69 2.26 0.16 0.81 0.52 -0.42 -2.12 118.95 117.46 2aiz s ARG 128 Ca -0.03 -0.32 -0.22 0.00 -0.52 0.00 0.00 55.73 54.64 2aiz s ARG 128 Cb 0.08 -5.04 0.06 0.00 0.52 0.00 0.00 34.95 30.58 2aiz s ARG 128 CO 0.82 -3.86 0.57 -0.98 0.02 0.00 0.00 175.30 171.87 2aiz s ARG 129 N 7.38 1.26 -0.27 3.54 1.70 -0.96 -1.51 118.95 130.09 2aiz s ARG 129 Ca 0.75 -0.52 0.01 0.00 -0.47 0.00 0.00 55.73 55.50 2aiz s ARG 129 Cb -0.07 0.57 0.07 0.00 -0.57 0.00 0.00 34.95 34.96 2aiz s ARG 129 CO 0.05 -0.55 -0.01 0.00 -1.08 0.00 0.00 175.30 173.71 2aiz s ALA 130 N -3.76 2.10 -0.44 7.88 0.00 -0.58 0.14 121.76 127.10 2aiz s ALA 130 Ca 0.02 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.07 2aiz s ALA 130 Cb -0.01 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.57 2aiz s ALA 130 CO -0.12 -1.36 0.95 0.08 0.00 0.00 0.00 175.76 175.31 2aiz s VAL 131 N 1.32 4.47 -0.46 0.00 1.01 0.17 -2.19 120.40 124.72 2aiz s VAL 131 Ca -0.00 0.92 -0.26 0.00 0.00 0.00 0.00 61.98 62.63 2aiz s VAL 131 Cb -0.19 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.71 2aiz s VAL 131 CO -0.09 -0.77 2.29 -0.76 0.00 0.00 0.00 175.10 175.77 2aiz s LEU 132 N 3.75 3.40 -0.19 3.92 2.01 0.27 -1.92 118.68 129.93 2aiz s LEU 132 Ca 0.39 1.13 -0.09 0.00 0.01 0.00 0.00 54.13 55.57 2aiz s LEU 132 Cb -0.10 -2.70 -0.04 0.00 0.01 0.00 0.00 46.19 43.35 2aiz s LEU 132 CO 0.25 -2.64 0.09 0.00 1.01 0.00 0.00 176.35 175.06 2aiz s ALA 133 N 11.06 3.55 -2.50 4.21 0.00 0.44 -4.89 121.76 133.63 2aiz s ALA 133 Ca 0.94 -0.72 0.28 0.00 0.00 0.00 0.00 51.96 52.46 2aiz s ALA 133 Cb -0.19 -2.03 1.04 0.00 0.00 0.00 0.00 23.12 21.94 2aiz s ALA 133 CO 0.27 0.19 1.74 0.66 0.00 0.00 0.00 175.76 178.63