#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiz s SER 2 N 0.00 6.87 0.00 0.00 1.04 -1.26 -4.19 113.70 116.16 2aiz s SER 2 Ca 0.00 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 53.78 2aiz s SER 2 Cb 0.00 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2aiz s SER 2 CO 0.00 -0.76 0.00 -1.54 0.98 0.00 0.00 173.24 171.92 2aiz n SER 3 N 5.20 0.00 0.10 7.02 3.41 -1.26 -5.00 113.62 123.09 2aiz n SER 3 Ca 0.25 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 2aiz n SER 3 Cb 0.46 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 2aiz n SER 3 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2aiz h SER 4 N 0.00 -0.28 -2.52 4.04 0.02 -2.11 -3.44 113.55 109.26 2aiz h SER 4 Ca 0.00 -0.23 -0.28 0.00 -0.84 0.00 0.00 61.79 60.43 2aiz h SER 4 Cb 0.00 0.07 -0.35 0.00 0.14 0.00 0.00 62.40 62.26 2aiz h SER 4 CO 0.00 0.22 -0.60 0.54 -1.14 0.00 0.00 176.83 175.85 2aiz s ASN 5 N -5.28 1.09 -0.15 3.07 4.22 -1.26 -5.13 114.94 111.50 2aiz s ASN 5 Ca -0.12 -0.04 -0.08 0.00 -2.14 0.00 0.00 52.86 50.48 2aiz s ASN 5 Cb 0.01 0.50 0.05 0.00 1.28 0.00 0.00 41.25 43.09 2aiz s ASN 5 CO 0.42 -0.31 0.36 0.21 -2.04 0.00 0.00 177.10 175.75 2aiz s ASN 6 N 2.36 -0.44 -0.19 3.54 3.84 -1.26 -4.93 114.94 117.87 2aiz s ASN 6 Ca 0.07 0.78 -0.18 0.00 0.21 0.00 0.00 52.86 53.73 2aiz s ASN 6 Cb -0.15 0.66 -0.15 0.00 -0.55 0.00 0.00 41.25 41.06 2aiz s ASN 6 CO -0.12 -0.18 0.14 0.44 -2.79 0.00 0.00 177.10 174.59 2aiz h ASP 7 N 7.04 0.00 -4.95 -4.21 3.32 -2.02 -3.51 116.42 112.10 2aiz h ASP 7 Ca -0.37 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.29 2aiz h ASP 7 Cb 1.18 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.63 2aiz h ASP 7 CO 0.32 1.28 -1.38 0.00 -1.72 0.00 0.00 179.24 177.73 2aiz n ALA 8 N -3.43 -3.13 -2.67 3.45 0.00 -1.26 -5.04 120.51 108.44 2aiz n ALA 8 Ca -0.25 1.83 -0.04 0.00 0.00 0.00 0.00 53.44 54.98 2aiz n ALA 8 Cb 0.56 -3.74 0.11 0.00 0.00 0.00 0.00 19.45 16.38 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 1.80 -2.89 -0.32 0.00 0.00 -1.26 -5.08 120.51 112.76 2aiz n ALA 9 Ca -0.29 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2aiz n ALA 9 Cb 0.45 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.99 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 0.50 -0.17 1.73 0.00 0.00 -1.26 -4.95 105.19 101.04 2aiz n GLY 10 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2aiz n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aiz n ASN 11 N -1.87 -8.56 -0.07 1.61 3.02 -1.26 -4.61 115.26 103.52 2aiz n ASN 11 Ca 0.00 1.21 -0.22 0.00 -0.03 0.00 0.00 54.58 55.54 2aiz n ASN 11 Cb 0.00 -4.48 -0.12 0.00 -0.61 0.00 0.00 39.78 34.57 2aiz n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aiz n GLY 12 N 0.77 -0.75 0.07 7.41 0.00 -1.26 -4.49 105.19 106.93 2aiz n GLY 12 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.31 -0.03 -3.03 4.61 0.00 -2.02 -3.39 119.26 115.10 2aiz h ALA 13 Ca -0.38 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2aiz h ALA 13 Cb 1.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2aiz h ALA 13 CO -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.90 2aiz n ALA 14 N -2.39 0.00 -1.00 0.00 0.00 -1.26 -4.79 120.51 111.06 2aiz n ALA 14 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.41 2aiz n ALA 14 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.02 -2.51 -4.02 0.00 3.00 -1.26 -4.70 117.38 107.87 2aiz n GLN 15 Ca 0.00 1.99 -0.28 0.00 -0.01 0.00 0.00 57.00 58.70 2aiz n GLN 15 Cb 0.00 -2.63 -0.17 0.00 0.00 0.00 0.00 30.24 27.44 2aiz n GLN 15 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2aiz s THR 16 N -4.47 1.21 -0.47 5.09 -1.32 -1.26 -4.25 115.64 110.17 2aiz s THR 16 Ca 0.00 -0.41 -0.21 0.00 -1.21 0.00 0.00 61.69 59.85 2aiz s THR 16 Cb 0.00 -1.18 0.03 0.00 -1.51 0.00 0.00 72.50 69.85 2aiz s THR 16 CO 0.00 0.40 0.70 -0.36 -2.21 0.00 0.00 174.62 173.14 2aiz s PHE 17 N 1.52 3.02 0.00 9.09 0.08 0.47 -4.20 117.98 127.96 2aiz s PHE 17 Ca 0.03 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 56.97 2aiz s PHE 17 Cb -0.13 -3.52 0.00 0.00 -0.57 0.00 0.00 43.02 38.80 2aiz s PHE 17 CO -0.08 -0.98 0.00 0.41 -0.10 0.00 0.00 175.22 174.48 2aiz n GLY 18 N 5.06 0.14 0.00 4.36 0.00 -1.26 -3.00 105.19 110.49 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 -0.18 3.06 3.53 -0.02 0.00 -1.26 -4.84 105.19 105.48 2aiz n GLY 19 Ca 0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.08 2.35 0.13 1.61 2.02 -1.16 -4.96 117.35 117.27 2aiz s TYR 20 Ca 0.00 -0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 2aiz s TYR 20 Cb 0.00 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2aiz s TYR 20 CO 0.00 0.55 0.31 0.45 -1.57 0.00 0.00 175.55 175.29 2aiz s SER 21 N -3.59 6.39 0.28 2.29 0.15 -1.26 0.18 113.70 118.14 2aiz s SER 21 Ca 0.32 0.34 -0.06 0.00 0.70 0.00 0.00 55.95 57.25 2aiz s SER 21 Cb 0.02 -1.99 0.51 0.00 -1.71 0.00 0.00 66.02 62.86 2aiz s SER 21 CO 0.16 0.06 1.55 0.52 1.20 0.00 0.00 173.24 176.74 2aiz n VAL 22 N -0.19 -0.42 0.20 4.45 0.31 -1.26 0.93 118.33 122.35 2aiz n VAL 22 Ca -0.05 2.26 0.11 0.00 -0.01 0.00 0.00 64.34 66.66 2aiz n VAL 22 Cb 0.53 -3.16 0.61 0.00 -0.91 0.00 0.00 33.84 30.91 2aiz n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2aiz h ALA 23 N 1.99 1.10 0.00 3.52 0.00 -1.87 -2.05 119.26 121.95 2aiz h ALA 23 Ca 0.50 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.97 2aiz h ALA 23 Cb 0.81 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2aiz h ALA 23 CO -1.01 -0.10 -2.50 -3.47 0.00 0.00 0.00 179.25 172.17 2aiz n ASP 24 N -2.36 1.96 0.25 0.00 -0.08 0.26 -3.37 116.55 113.22 2aiz n ASP 24 Ca -0.01 0.23 0.18 0.00 -1.51 0.00 0.00 54.79 53.67 2aiz n ASP 24 Cb 0.17 -0.73 0.84 0.00 2.34 0.00 0.00 41.12 43.74 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 -0.76 0.00 0.00 -2.67 3.38 -0.81 0.38 115.31 114.82 2aiz h LEU 25 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2aiz h LEU 25 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2aiz h LEU 25 CO -0.34 0.00 -0.79 0.00 0.09 0.00 0.00 178.44 177.40 2aiz n GLN 26 N -3.31 2.56 -0.04 1.13 1.13 -0.82 -4.17 117.38 113.87 2aiz n GLN 26 Ca 0.01 -0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 55.00 2aiz n GLN 26 Cb 0.40 -1.08 -0.06 0.00 0.11 0.00 0.00 30.24 29.61 2aiz n GLN 26 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2aiz n GLN 27 N -1.44 2.59 0.00 -1.09 1.13 -0.54 -4.91 117.38 113.12 2aiz n GLN 27 Ca 0.01 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2aiz n GLN 27 Cb 0.20 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.34 2aiz n GLN 27 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2aiz n ARG 28 N -2.29 0.30 -3.71 -1.09 1.85 0.11 -5.02 116.66 106.82 2aiz n ARG 28 Ca -0.13 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.34 2aiz n ARG 28 Cb 0.75 -0.76 -0.11 0.00 -1.05 0.00 0.00 32.46 31.29 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2aiz s TYR 29 N -1.51 3.39 0.00 2.89 2.02 0.08 -4.72 117.35 119.50 2aiz s TYR 29 Ca 0.00 -1.81 0.00 0.00 -0.37 0.00 0.00 57.07 54.89 2aiz s TYR 29 Cb 0.00 -2.84 0.00 0.00 -0.40 0.00 0.00 41.96 38.72 2aiz s TYR 29 CO 0.00 -0.87 0.00 0.27 -1.57 0.00 0.00 175.55 173.38 2aiz n ASN 30 N 4.78 0.00 -4.05 2.29 2.04 -1.26 -4.21 115.26 114.84 2aiz n ASN 30 Ca -0.09 0.00 -0.26 0.00 -0.44 0.00 0.00 54.58 53.79 2aiz n ASN 30 Cb 0.43 0.00 -0.17 0.00 -2.53 0.00 0.00 39.78 37.51 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 1.33 0.10 5.53 2.01 -1.26 0.13 115.64 123.47 2aiz s THR 31 Ca 0.00 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.47 2aiz s THR 31 Cb 0.00 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2aiz s THR 31 CO 0.00 0.40 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.64 2aiz s VAL 32 N 0.72 3.99 -0.20 3.82 1.01 -0.95 -4.96 120.40 123.82 2aiz s VAL 32 Ca -0.13 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2aiz s VAL 32 Cb -0.16 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.35 2aiz s VAL 32 CO 0.03 0.10 -0.14 -0.31 0.00 0.00 0.00 175.10 174.79 2aiz s TYR 33 N -1.34 2.62 0.48 5.22 1.51 -1.26 -1.37 117.35 123.21 2aiz s TYR 33 Ca 0.26 -1.67 0.03 0.00 -1.01 0.00 0.00 57.07 54.68 2aiz s TYR 33 Cb -0.12 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2aiz s TYR 33 CO 0.18 -0.77 0.68 -0.06 -1.11 0.00 0.00 175.55 174.47 2aiz s PHE 34 N 1.33 2.93 0.00 2.71 0.08 -0.64 -4.83 117.98 119.56 2aiz s PHE 34 Ca 0.00 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 56.96 2aiz s PHE 34 Cb -0.15 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 2aiz s PHE 34 CO -0.09 -0.59 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 2aiz n GLY 35 N -2.10 1.89 3.62 4.36 0.00 -1.26 -4.69 105.19 107.00 2aiz n GLY 35 Ca 0.06 -2.10 -0.44 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.69 2.18 -2.52 1.61 7.35 -1.26 -1.94 117.46 122.18 2aiz n PHE 36 Ca 0.00 -0.18 -0.12 0.00 -0.76 0.00 0.00 57.45 56.40 2aiz n PHE 36 Cb 0.00 -2.74 -0.00 0.00 0.35 0.00 0.00 39.48 37.09 2aiz n PHE 36 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2aiz n ASP 37 N 9.46 -3.54 -4.87 -2.13 2.03 -1.26 -4.93 116.55 111.31 2aiz n ASP 37 Ca 0.26 0.18 -0.36 0.00 0.52 0.00 0.00 54.79 55.40 2aiz n ASP 37 Cb 0.40 -3.02 -0.06 0.00 -0.72 0.00 0.00 41.12 37.72 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2aiz s LYS 38 N -5.11 3.69 -0.43 -0.67 2.20 -0.82 -5.03 119.74 113.57 2aiz s LYS 38 Ca 0.03 0.11 0.10 0.00 -0.36 0.00 0.00 55.97 55.85 2aiz s LYS 38 Cb -0.02 -3.11 0.39 0.00 -1.51 0.00 0.00 37.83 33.58 2aiz s LYS 38 CO 0.04 0.66 0.92 2.48 -0.36 0.00 0.00 175.35 179.09 2aiz n TYR 39 N 1.38 2.19 -3.75 4.03 4.11 -1.26 -4.52 117.16 119.34 2aiz n TYR 39 Ca -0.12 -3.51 -0.13 0.00 -0.00 0.00 0.00 57.90 54.14 2aiz n TYR 39 Cb 0.53 -0.36 -0.08 0.00 -0.00 0.00 0.00 39.34 39.43 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 -3.11 -0.21 0.32 9.48 1.11 -1.26 -4.83 116.67 118.18 2aiz s ASP 40 Ca 0.42 0.09 0.03 0.00 0.18 0.00 0.00 52.55 53.27 2aiz s ASP 40 Cb 0.36 0.33 -0.02 0.00 1.07 0.00 0.00 42.92 44.66 2aiz s ASP 40 CO -0.10 -0.47 0.49 -0.63 1.18 0.00 0.00 175.17 175.64 2aiz s ILE 41 N -1.42 4.74 0.06 0.77 1.09 -1.26 -4.79 121.20 120.39 2aiz s ILE 41 Ca -0.13 -0.77 0.06 0.00 -1.10 0.00 0.00 60.65 58.71 2aiz s ILE 41 Cb -0.05 -3.70 -0.04 0.00 -1.06 0.00 0.00 42.46 37.62 2aiz s ILE 41 CO 0.04 -0.35 -0.10 0.42 -0.10 0.00 0.00 174.94 174.85 2aiz s THR 42 N -2.21 3.39 0.53 2.92 -4.23 -1.26 -5.00 115.64 109.78 2aiz s THR 42 Ca 0.40 -1.07 0.40 0.00 -1.18 0.00 0.00 61.69 60.24 2aiz s THR 42 Cb -0.09 -2.52 0.60 0.00 1.34 0.00 0.00 72.50 71.82 2aiz s THR 42 CO 0.33 0.25 1.70 1.23 -0.54 0.00 0.00 174.62 177.59 2aiz h GLY 43 N 4.08 0.23 1.59 3.99 0.00 -1.99 0.66 103.07 111.63 2aiz h GLY 43 Ca -0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2aiz h GLY 43 CO 0.52 -0.06 0.15 0.83 0.00 0.00 0.00 176.54 177.99 2aiz h GLU 44 N 0.04 0.54 -0.22 4.80 3.07 -2.03 -2.50 114.58 118.28 2aiz h GLU 44 Ca 0.73 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 2aiz h GLU 44 Cb 2.80 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 30.60 2aiz h GLU 44 CO -0.08 0.45 0.00 0.66 -1.40 0.00 0.00 179.01 178.64 2aiz n TYR 45 N -4.39 0.28 -0.06 4.33 4.01 0.22 -4.52 117.16 117.04 2aiz n TYR 45 Ca 0.02 -0.19 -0.12 0.00 -0.16 0.00 0.00 57.90 57.46 2aiz n TYR 45 Cb 0.14 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.17 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 3.38 1.29 -0.84 -0.72 2.07 -0.78 -3.16 116.25 117.48 2aiz h VAL 46 Ca 0.00 -1.69 0.21 0.00 0.82 0.00 0.00 66.70 66.04 2aiz h VAL 46 Cb 0.79 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 2aiz h VAL 46 CO 0.00 0.54 0.57 0.06 0.02 0.00 0.00 177.57 178.77 2aiz h GLN 47 N 0.60 0.23 -0.32 1.57 -0.00 -1.79 0.06 115.11 115.46 2aiz h GLN 47 Ca 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2aiz h GLN 47 Cb 1.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 28.48 2aiz h GLN 47 CO 0.11 0.15 0.12 0.82 -0.00 0.00 0.00 178.83 180.02 2aiz h ILE 48 N 0.24 1.19 -0.46 1.86 2.04 -1.87 0.28 117.51 120.79 2aiz h ILE 48 Ca 0.42 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2aiz h ILE 48 Cb 1.28 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2aiz h ILE 48 CO -0.10 0.20 0.30 -0.07 0.00 0.00 0.00 178.15 178.49 2aiz h LEU 49 N 0.37 0.47 0.02 1.44 3.38 -1.13 0.84 115.31 120.69 2aiz h LEU 49 Ca 0.11 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 2aiz h LEU 49 Cb 0.21 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.86 2aiz h LEU 49 CO -0.01 0.33 -1.11 0.44 0.09 0.00 0.00 178.44 178.19 2aiz h ASP 50 N 0.55 0.83 -0.03 -0.43 3.32 -0.87 -1.95 116.42 117.84 2aiz h ASP 50 Ca 0.18 -0.71 -0.09 0.00 0.02 0.00 0.00 57.03 56.43 2aiz h ASP 50 Cb 0.04 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.34 2aiz h ASP 50 CO -0.04 1.51 -0.32 0.00 -1.72 0.00 0.00 179.24 178.67 2aiz h ALA 51 N 0.42 0.08 -0.71 3.45 0.00 0.28 -2.44 119.26 120.34 2aiz h ALA 51 Ca -0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 2aiz h ALA 51 Cb 1.77 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 2aiz h ALA 51 CO 0.21 0.15 0.33 0.45 0.00 0.00 0.00 179.25 180.39 2aiz h HIS 52 N -0.29 1.02 -0.73 0.00 3.86 0.57 -2.11 115.15 117.47 2aiz h HIS 52 Ca -0.03 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2aiz h HIS 52 Cb 1.01 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 2aiz h HIS 52 CO 0.15 0.75 0.29 0.00 0.86 0.00 0.00 177.93 179.98 2aiz h ALA 53 N 1.35 0.94 -0.79 2.45 0.00 -1.37 0.46 119.26 122.30 2aiz h ALA 53 Ca 0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2aiz h ALA 53 Cb 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2aiz h ALA 53 CO -0.03 0.56 0.31 0.00 0.00 0.00 0.00 179.25 180.09 2aiz h ALA 54 N 1.14 1.05 -0.02 0.00 0.00 -0.93 -1.47 119.26 119.03 2aiz h ALA 54 Ca 0.24 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 2aiz h ALA 54 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2aiz h ALA 54 CO -0.02 0.67 -0.90 -0.92 0.00 0.00 0.00 179.25 178.08 2aiz h TYR 55 N 1.15 0.62 -0.53 0.00 3.20 -0.99 -2.24 116.97 118.18 2aiz h TYR 55 Ca 0.26 -0.32 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 2aiz h TYR 55 Cb 0.23 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2aiz h TYR 55 CO 0.02 1.13 0.19 1.25 -1.64 0.00 0.00 178.16 179.12 2aiz h LEU 56 N 0.25 0.75 -0.33 2.82 5.85 0.18 -2.38 115.31 122.45 2aiz h LEU 56 Ca -0.07 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.32 2aiz h LEU 56 Cb 1.52 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2aiz h LEU 56 CO 0.16 0.73 -0.36 -1.13 -0.34 0.00 0.00 178.44 177.50 2aiz h ASN 57 N 0.72 0.89 -0.17 1.25 -0.73 -1.32 -2.91 115.58 113.30 2aiz h ASN 57 Ca 0.17 -0.48 0.05 0.00 1.87 0.00 0.00 56.30 57.92 2aiz h ASN 57 Cb 0.23 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2aiz h ASN 57 CO -0.01 1.18 0.17 0.00 -0.37 0.00 0.00 177.43 178.40 2aiz h ALA 58 N 0.73 1.86 -3.29 1.57 0.00 -1.20 -3.36 119.26 115.57 2aiz h ALA 58 Ca 0.05 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.26 2aiz h ALA 58 Cb 0.94 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.44 2aiz h ALA 58 CO 0.09 -0.26 -0.65 0.95 0.00 0.00 0.00 179.25 179.38 2aiz s THR 59 N -4.73 3.45 0.15 0.00 -4.23 -0.91 -5.01 115.64 104.35 2aiz s THR 59 Ca -0.05 -1.20 -0.20 0.00 -1.18 0.00 0.00 61.69 59.06 2aiz s THR 59 Cb 0.16 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 71.08 2aiz s THR 59 CO 0.58 -0.12 1.67 -0.65 -0.54 0.00 0.00 174.62 175.56 2aiz h PRO 60 N 8.13 -0.09 -0.71 3.99 0.11 -1.78 -2.18 132.00 139.46 2aiz h PRO 60 Ca -0.23 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2aiz h PRO 60 Cb 1.08 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2aiz h PRO 60 CO 0.57 -0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 2aiz n ALA 61 N -2.61 3.13 -2.56 -0.75 0.00 -1.26 -4.85 120.51 111.60 2aiz n ALA 61 Ca -0.01 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 2aiz n ALA 61 Cb 0.21 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.89 3.39 -0.12 0.00 0.00 -0.82 -5.04 121.76 117.28 2aiz s ALA 62 Ca 0.30 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2aiz s ALA 62 Cb 0.22 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 2aiz s ALA 62 CO 0.10 -1.60 -0.17 0.15 0.00 0.00 0.00 175.76 174.25 2aiz s LYS 63 N 3.01 3.27 0.02 0.00 1.02 -1.26 -4.84 119.74 120.96 2aiz s LYS 63 Ca 0.28 -0.75 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 2aiz s LYS 63 Cb -0.13 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2aiz s LYS 63 CO 0.18 0.21 0.22 0.54 -0.92 0.00 0.00 175.35 175.58 2aiz s VAL 64 N 0.33 5.38 -0.32 3.17 0.11 0.12 -4.78 120.40 124.41 2aiz s VAL 64 Ca -0.13 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 2aiz s VAL 64 Cb -0.17 -3.57 0.08 0.00 -1.53 0.00 0.00 36.38 31.20 2aiz s VAL 64 CO 0.07 0.29 0.02 -0.22 -3.33 0.00 0.00 175.10 171.92 2aiz s LEU 65 N -2.03 4.26 -0.63 2.54 0.20 0.55 -0.37 118.68 123.20 2aiz s LEU 65 Ca 0.29 -1.71 -0.26 0.00 0.69 0.00 0.00 54.13 53.14 2aiz s LEU 65 Cb -0.13 -1.66 0.04 0.00 -0.43 0.00 0.00 46.19 44.01 2aiz s LEU 65 CO 0.20 -0.32 1.14 -0.69 -0.29 0.00 0.00 176.35 176.38 2aiz s VAL 66 N 1.08 4.05 -0.27 1.68 1.01 0.24 0.11 120.40 128.30 2aiz s VAL 66 Ca 0.01 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.26 2aiz s VAL 66 Cb -0.20 -4.74 -0.02 0.00 0.00 0.00 0.00 36.38 31.42 2aiz s VAL 66 CO -0.05 -1.46 0.56 -0.70 0.00 0.00 0.00 175.10 173.45 2aiz s GLU 67 N 4.86 4.03 0.20 2.72 2.12 -0.87 -0.95 118.70 130.82 2aiz s GLU 67 Ca 0.35 0.35 -0.21 0.00 0.36 0.00 0.00 54.97 55.83 2aiz s GLU 67 Cb -0.10 -3.67 -0.08 0.00 0.26 0.00 0.00 34.13 30.54 2aiz s GLU 67 CO 0.19 -0.41 0.72 0.20 -0.54 0.00 0.00 175.26 175.42 2aiz s GLY 68 N 1.55 2.68 0.05 -1.50 0.00 0.28 -0.13 107.32 110.25 2aiz s GLY 68 Ca 0.23 0.19 -0.00 0.00 0.00 0.00 0.00 44.72 45.14 2aiz s GLY 68 CO 0.10 0.59 -0.04 -1.31 0.00 0.00 0.00 173.10 172.43 2aiz s ASN 69 N -1.51 0.59 0.00 1.64 0.01 0.43 -1.93 114.94 114.18 2aiz s ASN 69 Ca 0.40 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 2aiz s ASN 69 Cb -0.18 0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.63 2aiz s ASN 69 CO 0.22 -0.49 0.00 0.35 -1.51 0.00 0.00 177.10 175.66 2aiz n THR 70 N 0.44 0.00 -3.06 1.60 -2.24 -0.89 -2.24 114.28 107.88 2aiz n THR 70 Ca -0.16 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.36 2aiz n THR 70 Cb 0.59 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.41 6.32 0.41 3.42 1.47 -1.26 -4.56 116.67 122.88 2aiz s ASP 71 Ca 0.00 0.71 0.08 0.00 1.18 0.00 0.00 52.55 54.52 2aiz s ASP 71 Cb 0.00 -2.15 0.86 0.00 -0.34 0.00 0.00 42.92 41.29 2aiz s ASP 71 CO 0.00 -0.39 2.03 1.05 0.68 0.00 0.00 175.17 178.54 2aiz h GLU 72 N 0.74 0.46 -6.01 2.11 9.09 -1.86 -3.28 114.58 115.83 2aiz h GLU 72 Ca -0.48 -0.04 -0.73 0.00 0.05 0.00 0.00 59.36 58.15 2aiz h GLU 72 Cb 1.21 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 28.19 2aiz h GLU 72 CO 0.62 0.35 1.27 0.54 0.05 0.00 0.00 179.01 181.85 2aiz n ARG 73 N -4.44 0.57 0.00 1.06 5.12 -1.26 -4.60 116.66 113.10 2aiz n ARG 73 Ca 0.02 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2aiz n ARG 73 Cb 0.10 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 2aiz n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2aiz n GLY 74 N 6.52 -0.50 3.63 -0.13 0.00 -1.26 -4.93 105.19 108.52 2aiz n GLY 74 Ca 0.45 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.48 3.83 0.29 2.61 -4.23 -1.26 -4.91 115.64 111.48 2aiz s THR 75 Ca 0.00 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 2aiz s THR 75 Cb 0.00 -2.70 0.40 0.00 1.34 0.00 0.00 72.50 71.54 2aiz s THR 75 CO 0.00 0.35 1.45 -2.65 -0.54 0.00 0.00 174.62 173.24 2aiz n PRO 76 N 1.39 -0.07 -0.20 3.99 -0.02 -1.26 0.32 135.00 139.14 2aiz n PRO 76 Ca -0.15 1.40 -0.06 0.00 -2.02 0.00 0.00 63.50 62.67 2aiz n PRO 76 Cb 0.52 -2.21 0.04 0.00 -0.02 0.00 0.00 33.50 31.84 2aiz n PRO 76 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2aiz h GLU 77 N 0.00 0.71 -0.19 -0.52 5.08 -1.97 1.06 114.58 118.75 2aiz h GLU 77 Ca 0.55 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.78 2aiz h GLU 77 Cb 1.11 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2aiz h GLU 77 CO -0.88 0.47 -0.22 -0.92 -1.00 0.00 0.00 179.01 176.46 2aiz h TYR 78 N 0.73 0.59 0.00 4.33 5.03 -0.54 -2.68 116.97 124.43 2aiz h TYR 78 Ca 0.22 -0.18 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2aiz h TYR 78 Cb -0.04 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.12 2aiz h TYR 78 CO -0.05 0.86 0.00 0.09 -1.32 0.00 0.00 178.16 177.74 2aiz n ASN 79 N -4.43 0.00 -0.18 -2.11 4.13 0.76 -1.78 115.26 111.64 2aiz n ASN 79 Ca -0.05 0.43 0.13 0.00 1.68 0.00 0.00 54.58 56.76 2aiz n ASN 79 Cb 0.42 -0.20 0.24 0.00 -1.54 0.00 0.00 39.78 38.70 2aiz n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2aiz n ILE 80 N -1.10 -0.22 0.19 2.41 0.13 0.36 0.15 119.36 121.29 2aiz n ILE 80 Ca 0.00 1.13 -0.13 0.00 -1.10 0.00 0.00 62.75 62.65 2aiz n ILE 80 Cb 0.00 -1.74 -0.08 0.00 -0.84 0.00 0.00 39.64 36.99 2aiz n ILE 80 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2aiz h ALA 81 N 1.07 -0.51 -0.51 1.51 0.00 -1.55 0.65 119.26 119.91 2aiz h ALA 81 Ca 0.39 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.22 2aiz h ALA 81 Cb 0.95 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2aiz h ALA 81 CO -0.45 -0.60 -0.15 1.25 0.00 0.00 0.00 179.25 179.30 2aiz h LEU 82 N -0.88 -0.53 -0.60 0.00 7.12 0.23 0.83 115.31 121.48 2aiz h LEU 82 Ca -0.05 0.16 -0.03 0.00 0.13 0.00 0.00 57.88 58.09 2aiz h LEU 82 Cb 0.54 0.34 -0.03 0.00 -0.53 0.00 0.00 40.66 40.98 2aiz h LEU 82 CO 0.09 -0.19 0.25 1.23 -0.13 0.00 0.00 178.44 179.69 2aiz h GLY 83 N -0.02 0.96 -0.21 3.75 0.00 -0.62 -2.30 103.07 104.63 2aiz h GLY 83 Ca 0.25 -0.52 0.25 0.00 0.00 0.00 0.00 47.33 47.31 2aiz h GLY 83 CO -0.54 0.49 0.56 -1.61 0.00 0.00 0.00 176.54 175.44 2aiz h GLN 84 N 0.84 0.50 -0.41 4.80 5.75 0.27 1.00 115.11 127.85 2aiz h GLN 84 Ca 0.20 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.56 2aiz h GLN 84 Cb 0.19 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2aiz h GLN 84 CO -0.02 0.33 -0.20 0.07 -2.65 0.00 0.00 178.83 176.36 2aiz h ARG 85 N 0.51 0.80 -0.19 1.69 0.11 -0.67 0.08 114.38 116.70 2aiz h ARG 85 Ca 0.65 -0.31 -0.01 0.00 0.10 0.00 0.00 59.98 60.40 2aiz h ARG 85 Cb 1.27 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 2aiz h ARG 85 CO -0.51 0.93 0.09 0.00 0.10 0.00 0.00 179.97 180.59 2aiz h ARG 86 N 0.70 0.28 -0.43 0.08 3.08 0.11 -0.73 114.38 117.47 2aiz h ARG 86 Ca 0.10 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.15 2aiz h ARG 86 Cb 0.72 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2aiz h ARG 86 CO 0.06 0.33 0.29 0.00 -1.07 0.00 0.00 179.97 179.57 2aiz h ALA 87 N 0.94 1.89 -0.13 0.04 0.00 0.14 0.17 119.26 122.31 2aiz h ALA 87 Ca 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2aiz h ALA 87 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2aiz h ALA 87 CO -0.01 0.05 -0.36 -0.44 0.00 0.00 0.00 179.25 178.49 2aiz h ASP 88 N 0.41 0.28 0.63 0.00 3.32 -0.10 -1.13 116.42 119.82 2aiz h ASP 88 Ca 0.18 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2aiz h ASP 88 Cb 0.21 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2aiz h ASP 88 CO -0.04 0.62 -0.32 0.00 -1.72 0.00 0.00 179.24 177.78 2aiz h ALA 89 N 1.40 -0.88 -0.29 3.45 0.00 0.78 -0.07 119.26 123.65 2aiz h ALA 89 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2aiz h ALA 89 Cb 0.75 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2aiz h ALA 89 CO 0.06 -1.00 -0.16 0.28 0.00 0.00 0.00 179.25 178.43 2aiz h VAL 90 N -0.88 1.24 -0.48 0.00 2.07 -1.44 -1.93 116.25 114.84 2aiz h VAL 90 Ca -0.08 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2aiz h VAL 90 Cb 0.68 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2aiz h VAL 90 CO 0.13 0.35 0.27 0.50 0.02 0.00 0.00 177.57 178.84 2aiz h LYS 91 N 0.46 0.66 0.00 1.57 3.11 -0.99 -2.05 116.57 119.33 2aiz h LYS 91 Ca 0.08 -0.07 -0.05 0.00 -2.81 0.00 0.00 60.65 57.80 2aiz h LYS 91 Cb 0.54 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 2aiz h LYS 91 CO 0.03 0.51 -0.23 0.78 -2.81 0.00 0.00 179.45 177.74 2aiz h GLY 92 N 0.63 0.00 0.73 5.01 0.00 -0.82 -2.31 103.07 106.31 2aiz h GLY 92 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2aiz h GLY 92 CO -0.03 0.00 -0.35 -1.82 0.00 0.00 0.00 176.54 174.34 2aiz h TYR 93 N 0.00 -0.90 -0.52 5.60 5.03 -0.68 0.64 116.97 126.14 2aiz h TYR 93 Ca -0.00 -0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.40 2aiz h TYR 93 Cb 0.80 0.30 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 2aiz h TYR 93 CO 0.00 -0.56 0.36 -0.07 -1.32 0.00 0.00 178.16 176.57 2aiz h LEU 94 N -1.18 0.19 -0.55 2.82 3.38 -1.45 0.24 115.31 118.76 2aiz h LEU 94 Ca -0.10 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2aiz h LEU 94 Cb 0.75 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2aiz h LEU 94 CO 0.16 0.11 -0.24 0.00 0.09 0.00 0.00 178.44 178.57 2aiz h ALA 95 N 1.74 0.74 -0.91 1.53 0.00 -1.07 -2.27 119.26 119.02 2aiz h ALA 95 Ca 0.25 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2aiz h ALA 95 Cb 0.69 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2aiz h ALA 95 CO -0.04 0.66 0.60 0.78 0.00 0.00 0.00 179.25 181.25 2aiz h GLY 96 N 0.90 1.28 1.54 0.00 0.00 0.37 -0.94 103.07 106.23 2aiz h GLY 96 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2aiz h GLY 96 CO 0.07 0.47 0.29 0.50 0.00 0.00 0.00 176.54 177.87 2aiz h LYS 97 N 1.24 0.61 0.00 4.80 1.79 -1.29 -3.45 116.57 120.27 2aiz h LYS 97 Ca 0.33 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2aiz h LYS 97 Cb -0.14 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.37 2aiz h LYS 97 CO -0.07 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.13 2aiz n GLY 98 N -1.42 1.90 3.84 3.86 0.00 -0.36 -5.13 105.19 107.87 2aiz n GLY 98 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.90 4.86 0.95 1.61 1.01 -0.87 -5.02 120.40 121.04 2aiz s VAL 99 Ca 0.00 0.89 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 2aiz s VAL 99 Cb 0.00 -3.76 0.16 0.00 0.00 0.00 0.00 36.38 32.78 2aiz s VAL 99 CO 0.00 0.34 1.11 -1.81 0.00 0.00 0.00 175.10 174.74 2aiz s ASP 100 N -1.54 2.74 -0.07 3.32 1.01 -1.26 -4.38 116.67 116.50 2aiz s ASP 100 Ca 0.34 1.92 0.10 0.00 0.71 0.00 0.00 52.55 55.63 2aiz s ASP 100 Cb -0.16 -2.46 -0.24 0.00 1.01 0.00 0.00 42.92 41.07 2aiz s ASP 100 CO 0.19 -3.17 0.56 0.00 0.21 0.00 0.00 175.17 172.96 2aiz n ALA 101 N -4.26 1.41 0.25 5.23 0.00 -1.26 -3.91 120.51 117.97 2aiz n ALA 101 Ca 0.09 -0.79 0.18 0.00 0.00 0.00 0.00 53.44 52.92 2aiz n ALA 101 Cb 0.53 -0.76 0.90 0.00 0.00 0.00 0.00 19.45 20.11 2aiz n ALA 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2aiz h GLY 102 N 3.20 0.00 -1.06 0.00 0.00 -2.02 0.16 103.07 103.35 2aiz h GLY 102 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2aiz h GLY 102 CO 0.07 0.00 -0.42 0.58 0.00 0.00 0.00 176.54 176.78 2aiz n LYS 103 N -3.55 1.36 -3.74 4.80 2.85 -1.26 -4.93 118.16 113.69 2aiz n LYS 103 Ca 0.00 -1.07 -0.33 0.00 -1.05 0.00 0.00 58.31 55.86 2aiz n LYS 103 Cb 0.28 -1.46 -0.05 0.00 -0.65 0.00 0.00 35.03 33.16 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 -2.38 4.33 -0.09 -5.58 1.43 0.56 0.15 118.68 117.10 2aiz s LEU 104 Ca 0.19 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 53.68 2aiz s LEU 104 Cb 0.18 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.47 2aiz s LEU 104 CO 0.53 0.17 0.38 -0.83 0.23 0.00 0.00 176.35 176.82 2aiz s GLY 105 N -2.07 -0.26 0.20 -3.19 0.00 0.50 -4.90 107.32 97.60 2aiz s GLY 105 Ca 0.34 0.83 0.09 0.00 0.00 0.00 0.00 44.72 45.98 2aiz s GLY 105 CO 0.21 0.65 -0.18 -0.51 0.00 0.00 0.00 173.10 173.27 2aiz s THR 106 N -0.42 1.95 0.17 0.90 -4.23 -1.26 0.83 115.64 113.57 2aiz s THR 106 Ca -0.05 -2.11 -0.23 0.00 -1.18 0.00 0.00 61.69 58.12 2aiz s THR 106 Cb -0.03 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.86 2aiz s THR 106 CO 0.02 -0.40 0.68 -0.69 -0.54 0.00 0.00 174.62 173.69 2aiz s VAL 107 N -2.39 0.00 -0.24 2.29 1.01 -0.12 -4.87 120.40 116.08 2aiz s VAL 107 Ca 0.21 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 2aiz s VAL 107 Cb -0.04 -1.27 0.10 0.00 0.00 0.00 0.00 36.38 35.17 2aiz s VAL 107 CO 0.08 0.00 0.53 -0.55 0.00 0.00 0.00 175.10 175.17 2aiz s SER 108 N -2.77 -0.69 -0.11 3.32 0.15 -1.26 0.98 113.70 113.32 2aiz s SER 108 Ca 0.04 1.24 0.15 0.00 0.70 0.00 0.00 55.95 58.08 2aiz s SER 108 Cb -0.02 1.56 0.32 0.00 -1.71 0.00 0.00 66.02 66.16 2aiz s SER 108 CO -0.07 -0.22 1.21 -1.22 1.20 0.00 0.00 173.24 174.14 2aiz n TYR 109 N 5.05 0.30 0.00 3.44 4.01 -0.81 -4.82 117.16 124.33 2aiz n TYR 109 Ca -0.14 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 56.75 2aiz n TYR 109 Cb 0.52 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 -0.89 0.00 0.00 2.72 0.00 -1.26 -0.54 105.19 105.22 2aiz n GLY 110 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 0.72 0.10 1.61 -0.00 -1.24 -4.11 120.64 117.73 2aiz n GLU 111 Ca 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 57.16 57.05 2aiz n GLU 111 Cb 0.00 -1.50 -0.07 0.00 -0.00 0.00 0.00 31.44 29.87 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 0.00 -0.52 -2.73 3.44 4.81 -1.17 -3.39 114.58 115.02 2aiz h GLU 112 Ca 0.00 0.04 -0.59 0.00 -0.13 0.00 0.00 59.36 58.67 2aiz h GLU 112 Cb 0.11 0.12 -0.39 0.00 0.63 0.00 0.00 28.75 29.21 2aiz h GLU 112 CO 0.00 -0.35 -0.81 0.21 -0.73 0.00 0.00 179.01 177.33 2aiz s LYS 113 N -4.85 0.86 1.02 1.92 2.36 -1.13 -5.14 119.74 114.78 2aiz s LYS 113 Ca -0.11 -1.63 -0.11 0.00 -2.55 0.00 0.00 55.97 51.57 2aiz s LYS 113 Cb 0.04 -1.72 0.20 0.00 -1.05 0.00 0.00 37.83 35.30 2aiz s LYS 113 CO 0.40 -1.20 1.07 -2.30 1.55 0.00 0.00 175.35 174.87 2aiz n PRO 114 N 3.79 -1.23 -0.03 4.03 -0.02 -1.26 -4.97 135.00 135.31 2aiz n PRO 114 Ca 0.11 -0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.26 2aiz n PRO 114 Cb 0.36 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 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 -4.53 0.97 -2.57 3.55 0.00 -1.26 -4.93 120.51 111.73 2aiz n ALA 115 Ca 0.08 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 2aiz n ALA 115 Cb 0.53 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.78 4.78 0.25 0.00 1.01 -1.26 -5.03 120.40 118.37 2aiz s VAL 116 Ca -0.10 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 2aiz s VAL 116 Cb 0.01 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2aiz s VAL 116 CO 0.15 -0.43 1.30 -0.76 0.00 0.00 0.00 175.10 175.37 2aiz s LEU 117 N 2.98 4.43 0.00 3.92 2.01 -1.26 -4.86 118.68 125.89 2aiz s LEU 117 Ca 0.29 2.50 0.00 0.00 0.01 0.00 0.00 54.13 56.93 2aiz s LEU 117 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.44 2aiz s LEU 117 CO 0.17 -0.51 0.00 0.61 1.01 0.00 0.00 176.35 177.62 2aiz n GLY 118 N 1.80 1.61 2.59 -3.19 0.00 -1.26 -4.95 105.19 101.79 2aiz n GLY 118 Ca 0.04 -2.25 -0.26 0.00 0.00 0.00 0.00 46.02 43.55 2aiz n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aiz s HIS 119 N -1.43 0.15 -0.06 1.61 3.76 -1.26 -4.76 115.29 113.29 2aiz s HIS 119 Ca 0.00 -0.71 -0.31 0.00 -0.15 0.00 0.00 55.06 53.89 2aiz s HIS 119 Cb 0.00 -0.80 0.11 0.00 1.11 0.00 0.00 32.58 33.01 2aiz s HIS 119 CO 0.00 -0.84 1.05 0.34 -0.85 0.00 0.00 174.74 174.44 2aiz s ASP 120 N 2.16 -0.24 0.61 1.40 2.15 -1.26 -4.98 116.67 116.51 2aiz s ASP 120 Ca 0.09 -0.04 0.26 0.00 0.43 0.00 0.00 52.55 53.29 2aiz s ASP 120 Cb -0.16 0.28 1.21 0.00 -0.30 0.00 0.00 42.92 43.96 2aiz s ASP 120 CO -0.35 -0.47 1.63 -0.08 -0.17 0.00 0.00 175.17 175.73 2aiz h GLU 121 N 2.00 0.00 0.31 4.34 4.57 -1.99 0.74 114.58 124.55 2aiz h GLU 121 Ca -0.18 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 2aiz h GLU 121 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2aiz h GLU 121 CO 0.27 0.00 -0.15 0.00 -1.18 0.00 0.00 179.01 177.95 2aiz h ALA 122 N 1.02 -0.45 -0.38 2.92 0.00 -1.98 -2.17 119.26 118.23 2aiz h ALA 122 Ca 0.28 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2aiz h ALA 122 Cb 1.80 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2aiz h ALA 122 CO -0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 179.25 178.54 2aiz h ALA 123 N -1.19 0.55 -0.01 0.00 0.00 -1.59 -2.39 119.26 114.64 2aiz h ALA 123 Ca -0.04 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2aiz h ALA 123 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2aiz h ALA 123 CO 0.07 0.58 -0.03 1.88 0.00 0.00 0.00 179.25 181.75 2aiz h TYR 124 N 0.68 -0.07 -0.22 0.00 0.05 0.29 -0.12 116.97 117.58 2aiz h TYR 124 Ca 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 2aiz h TYR 124 Cb 0.87 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 2aiz h TYR 124 CO 0.06 -0.05 0.02 1.03 -1.05 0.00 0.00 178.16 178.17 2aiz h SER 125 N -0.05 0.29 1.06 3.88 0.87 -1.41 -0.62 113.55 117.57 2aiz h SER 125 Ca 0.02 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 2aiz h SER 125 Cb 0.07 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2aiz h SER 125 CO -0.04 0.33 -0.30 0.11 -0.53 0.00 0.00 176.83 176.40 2aiz h LYS 126 N 0.31 0.00 0.02 2.24 1.57 -0.84 -3.21 116.57 116.67 2aiz h LYS 126 Ca 0.07 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.56 2aiz h LYS 126 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2aiz h LYS 126 CO 0.00 0.30 -1.67 -0.91 -0.57 0.00 0.00 179.45 176.60 2aiz h ASN 127 N 0.00 0.07 -0.71 0.86 2.35 0.03 -3.43 115.58 114.75 2aiz h ASN 127 Ca -0.00 -0.14 -0.31 0.00 -0.55 0.00 0.00 56.30 55.29 2aiz h ASN 127 Cb 0.91 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.20 2aiz h ASN 127 CO 0.04 1.13 0.81 -0.13 -1.65 0.00 0.00 177.43 177.62 2aiz s ARG 128 N -2.60 2.60 0.11 0.81 0.52 -0.34 -2.10 118.95 117.94 2aiz s ARG 128 Ca -0.06 -0.43 -0.23 0.00 -0.52 0.00 0.00 55.73 54.49 2aiz s ARG 128 Cb 0.08 -5.10 0.06 0.00 0.52 0.00 0.00 34.95 30.52 2aiz s ARG 128 CO 0.82 -3.39 0.58 -0.98 0.02 0.00 0.00 175.30 172.35 2aiz s ARG 129 N 6.85 1.19 -0.33 3.54 1.70 -0.95 -1.62 118.95 129.33 2aiz s ARG 129 Ca 0.69 -0.36 0.03 0.00 -0.47 0.00 0.00 55.73 55.61 2aiz s ARG 129 Cb -0.06 0.55 0.10 0.00 -0.57 0.00 0.00 34.95 34.97 2aiz s ARG 129 CO 0.00 -0.49 0.05 0.00 -1.08 0.00 0.00 175.30 173.79 2aiz s ALA 130 N -3.22 2.55 -0.38 7.88 0.00 -0.47 0.16 121.76 128.28 2aiz s ALA 130 Ca -0.01 -2.28 -0.26 0.00 0.00 0.00 0.00 51.96 49.41 2aiz s ALA 130 Cb -0.00 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.27 2aiz s ALA 130 CO -0.08 -1.65 0.92 0.08 0.00 0.00 0.00 175.76 175.03 2aiz s VAL 131 N 1.08 4.57 -0.47 0.00 1.01 0.82 -2.25 120.40 125.17 2aiz s VAL 131 Ca 0.09 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.92 2aiz s VAL 131 Cb -0.19 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2aiz s VAL 131 CO -0.12 -0.58 2.23 -0.76 0.00 0.00 0.00 175.10 175.87 2aiz s LEU 132 N 3.51 3.39 -0.14 3.92 2.01 0.34 -2.05 118.68 129.66 2aiz s LEU 132 Ca 0.38 1.06 -0.04 0.00 0.01 0.00 0.00 54.13 55.53 2aiz s LEU 132 Cb -0.12 -2.72 -0.03 0.00 0.01 0.00 0.00 46.19 43.33 2aiz s LEU 132 CO 0.20 -2.58 0.00 0.00 1.01 0.00 0.00 176.35 174.98 2aiz s ALA 133 N 10.69 3.20 -2.58 4.21 0.00 0.30 -4.89 121.76 132.68 2aiz s ALA 133 Ca 0.91 -0.79 0.27 0.00 0.00 0.00 0.00 51.96 52.35 2aiz s ALA 133 Cb -0.19 -1.63 0.91 0.00 0.00 0.00 0.00 23.12 22.21 2aiz s ALA 133 CO 0.27 0.32 1.66 0.66 0.00 0.00 0.00 175.76 178.67