#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 -0.67 0.00 0.00 3.41 -1.26 -5.00 113.62 110.10 2aiz n SER 2 Ca 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 2aiz n SER 2 Cb 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 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 -1.11 0.00 -0.06 4.04 7.64 -1.26 -4.42 113.62 118.45 2aiz n SER 3 Ca -0.02 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.71 2aiz n SER 3 Cb 0.18 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.28 2aiz n SER 3 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2aiz h SER 4 N 0.00 -1.78 -3.37 6.43 0.87 -2.10 -3.41 113.55 110.19 2aiz h SER 4 Ca 0.00 0.22 -0.35 0.00 -1.23 0.00 0.00 61.79 60.43 2aiz h SER 4 Cb 0.00 0.71 -0.37 0.00 -0.44 0.00 0.00 62.40 62.30 2aiz h SER 4 CO 0.00 -0.45 -0.74 0.54 -0.53 0.00 0.00 176.83 175.65 2aiz s ASN 5 N -4.93 0.84 -0.11 6.23 4.22 -1.26 -5.14 114.94 114.78 2aiz s ASN 5 Ca -0.15 0.05 -0.08 0.00 -2.14 0.00 0.00 52.86 50.54 2aiz s ASN 5 Cb 0.08 -0.15 0.04 0.00 1.28 0.00 0.00 41.25 42.50 2aiz s ASN 5 CO 0.61 -0.21 0.28 0.20 -2.04 0.00 0.00 177.10 175.95 2aiz s ASN 6 N 1.79 -0.31 0.00 3.54 -0.87 -1.26 -4.79 114.94 113.05 2aiz s ASN 6 Ca 0.00 0.59 0.00 0.00 -1.57 0.00 0.00 52.86 51.88 2aiz s ASN 6 Cb -0.12 0.53 0.00 0.00 -0.02 0.00 0.00 41.25 41.64 2aiz s ASN 6 CO -0.03 -0.13 0.00 -0.67 -2.57 0.00 0.00 177.10 173.69 2aiz n ASP 7 N 3.59 0.00 -3.58 -1.22 2.03 -1.26 -5.10 116.55 111.01 2aiz n ASP 7 Ca -0.19 0.22 0.02 0.00 0.52 0.00 0.00 54.79 55.36 2aiz n ASP 7 Cb 0.56 -0.48 -0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aiz s ALA 8 N -3.06 -2.41 -0.36 -1.67 0.00 -1.26 -5.01 121.76 107.98 2aiz s ALA 8 Ca 0.00 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.15 2aiz s ALA 8 Cb 0.00 0.13 0.66 0.00 0.00 0.00 0.00 23.12 23.90 2aiz s ALA 8 CO 0.00 -0.96 1.70 0.00 0.00 0.00 0.00 175.76 176.50 2aiz n ALA 9 N -0.40 4.45 0.08 0.00 0.00 -1.26 -4.06 120.51 119.32 2aiz n ALA 9 Ca -0.07 -2.10 -0.05 0.00 0.00 0.00 0.00 53.44 51.22 2aiz n ALA 9 Cb 0.62 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 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 2.81 0.00 -4.86 0.00 0.00 -2.05 -3.43 103.07 95.54 2aiz h GLY 10 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2aiz h GLY 10 CO 0.70 0.00 0.21 -2.01 0.00 0.00 0.00 176.54 175.44 2aiz n ASN 11 N -3.37 -1.01 -0.05 0.19 5.15 -1.26 -4.99 115.26 109.90 2aiz n ASN 11 Ca 0.00 -1.56 -0.05 0.00 -0.60 0.00 0.00 54.58 52.38 2aiz n ASN 11 Cb 0.89 0.93 -0.05 0.00 -0.53 0.00 0.00 39.78 41.02 2aiz n ASN 11 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2aiz h GLY 12 N 1.02 -0.01 1.02 8.20 0.00 -1.84 -3.37 103.07 108.10 2aiz h GLY 12 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2aiz h GLY 12 CO -0.21 -0.00 -0.64 0.00 0.00 0.00 0.00 176.54 175.69 2aiz n ALA 13 N -2.72 3.21 -1.70 3.60 0.00 -1.26 -4.11 120.51 117.53 2aiz n ALA 13 Ca -0.04 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 2aiz n ALA 13 Cb 0.17 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 2aiz n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz s ALA 14 N -3.11 0.76 -1.35 0.00 0.00 -1.26 -3.50 121.76 113.30 2aiz s ALA 14 Ca 0.08 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 2aiz s ALA 14 Cb 0.15 -4.68 0.01 0.00 0.00 0.00 0.00 23.12 18.61 2aiz s ALA 14 CO 0.72 -6.44 0.71 1.04 0.00 0.00 0.00 175.76 171.80 2aiz n GLN 15 N 8.31 -4.85 -4.18 0.00 6.02 -1.26 -4.99 117.38 116.42 2aiz n GLN 15 Ca 0.43 0.60 -0.17 0.00 -0.01 0.00 0.00 57.00 57.85 2aiz n GLN 15 Cb 0.46 -5.16 -0.12 0.00 1.02 0.00 0.00 30.24 26.44 2aiz n GLN 15 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2aiz s THR 16 N -3.65 0.81 -0.21 5.09 2.01 -1.23 -4.47 115.64 114.01 2aiz s THR 16 Ca 0.10 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 2aiz s THR 16 Cb -0.05 -0.79 0.07 0.00 0.01 0.00 0.00 72.50 71.73 2aiz s THR 16 CO 0.82 -0.18 0.06 -0.36 -0.69 0.00 0.00 174.62 174.27 2aiz s PHE 17 N -1.06 0.83 0.00 4.92 0.40 0.24 -4.76 117.98 118.56 2aiz s PHE 17 Ca -0.04 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 2aiz s PHE 17 Cb -0.08 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.45 2aiz s PHE 17 CO 0.01 -0.63 0.00 0.41 0.70 0.00 0.00 175.22 175.71 2aiz n GLY 18 N 5.10 0.08 0.00 4.36 0.00 -1.26 -2.41 105.19 111.06 2aiz n GLY 18 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.33 1.33 3.56 -0.02 0.00 -1.26 -4.82 105.19 104.31 2aiz n GLY 19 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.50 2.47 0.27 1.61 2.02 -1.01 -5.06 117.35 117.15 2aiz s TYR 20 Ca 0.00 -0.35 0.09 0.00 -0.37 0.00 0.00 57.07 56.44 2aiz s TYR 20 Cb 0.00 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 2aiz s TYR 20 CO 0.00 0.62 0.06 0.45 -1.57 0.00 0.00 175.55 175.11 2aiz s SER 21 N -3.61 4.79 0.20 2.29 0.15 -1.26 0.80 113.70 117.06 2aiz s SER 21 Ca 0.32 -0.57 -0.23 0.00 0.70 0.00 0.00 55.95 56.17 2aiz s SER 21 Cb -0.03 -0.96 0.12 0.00 -1.71 0.00 0.00 66.02 63.44 2aiz s SER 21 CO 0.17 -0.04 1.55 0.58 1.20 0.00 0.00 173.24 176.70 2aiz h VAL 22 N 1.75 0.00 0.00 4.45 2.07 -1.97 0.69 116.25 123.24 2aiz h VAL 22 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2aiz h VAL 22 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2aiz h VAL 22 CO 0.61 0.00 0.28 0.00 0.02 0.00 0.00 177.57 178.48 2aiz h ALA 23 N 1.04 1.28 0.00 1.67 0.00 -1.96 0.72 119.26 122.01 2aiz h ALA 23 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.77 2aiz h ALA 23 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2aiz h ALA 23 CO -0.97 -0.28 -2.49 -3.47 0.00 0.00 0.00 179.25 172.04 2aiz n ASP 24 N -2.91 1.97 0.27 0.00 2.03 0.20 -3.96 116.55 114.16 2aiz n ASP 24 Ca -0.02 0.04 0.15 0.00 0.52 0.00 0.00 54.79 55.48 2aiz n ASP 24 Cb 0.33 -0.57 0.71 0.00 -0.72 0.00 0.00 41.12 40.88 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 -0.36 0.00 0.00 -2.67 3.38 0.34 1.26 115.31 117.26 2aiz h LEU 25 Ca -0.62 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 2aiz h LEU 25 Cb 1.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 2aiz h LEU 25 CO -0.21 0.08 -0.81 1.56 0.09 0.00 0.00 178.44 179.15 2aiz h GLN 26 N 0.00 0.00 0.00 1.13 4.20 0.23 -3.41 115.11 117.26 2aiz h GLN 26 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aiz h GLN 26 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2aiz h GLN 26 CO 0.01 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 2aiz n GLN 27 N -2.82 0.00 -0.00 1.46 -0.00 -1.09 -4.96 117.38 109.97 2aiz n GLN 27 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2aiz n GLN 27 Cb 0.59 -0.27 -0.00 0.00 -0.00 0.00 0.00 30.24 30.56 2aiz n GLN 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2aiz n ARG 28 N 0.00 0.00 -3.60 2.61 0.00 0.43 -4.93 116.66 111.17 2aiz n ARG 28 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 2aiz n ARG 28 Cb 0.16 -0.33 -0.07 0.00 0.00 0.00 0.00 32.46 32.22 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2aiz s TYR 29 N -1.02 3.53 0.00 -0.14 2.02 -0.81 -4.73 117.35 116.20 2aiz s TYR 29 Ca -0.00 -2.54 0.00 0.00 -0.37 0.00 0.00 57.07 54.15 2aiz s TYR 29 Cb 0.00 -3.38 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 2aiz s TYR 29 CO 0.00 -0.87 0.68 0.27 -1.57 0.00 0.00 175.55 174.06 2aiz n ASN 30 N 3.52 0.00 -4.10 2.29 6.94 -1.26 -4.71 115.26 117.95 2aiz n ASN 30 Ca 0.11 -1.43 -0.26 0.00 -0.02 0.00 0.00 54.58 52.97 2aiz n ASN 30 Cb 0.40 -0.09 -0.16 0.00 -2.36 0.00 0.00 39.78 37.57 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2aiz s THR 31 N 0.00 1.40 0.08 5.53 2.01 -1.26 0.15 115.64 123.55 2aiz s THR 31 Ca 0.00 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2aiz s THR 31 Cb 0.00 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 2aiz s THR 31 CO 0.00 0.41 0.01 -0.69 -0.69 0.00 0.00 174.62 173.66 2aiz s VAL 32 N 0.37 4.08 -0.28 3.82 1.01 -0.93 -4.96 120.40 123.52 2aiz s VAL 32 Ca -0.11 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2aiz s VAL 32 Cb -0.15 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.32 2aiz s VAL 32 CO 0.04 0.13 -0.01 -0.31 0.00 0.00 0.00 175.10 174.95 2aiz s TYR 33 N -1.31 3.14 0.69 5.22 1.51 -1.26 -2.00 117.35 123.35 2aiz s TYR 33 Ca 0.26 -1.52 -0.02 0.00 -1.01 0.00 0.00 57.07 54.78 2aiz s TYR 33 Cb -0.12 -2.12 0.10 0.00 -0.11 0.00 0.00 41.96 39.71 2aiz s TYR 33 CO 0.18 -0.72 0.97 -0.06 -1.11 0.00 0.00 175.55 174.81 2aiz s PHE 34 N 1.34 2.13 0.37 2.71 0.08 0.71 -4.85 117.98 120.48 2aiz s PHE 34 Ca -0.01 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.01 2aiz s PHE 34 Cb -0.18 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.22 2aiz s PHE 34 CO -0.02 -1.52 0.07 0.41 -0.10 0.00 0.00 175.22 174.06 2aiz n GLY 35 N -2.79 3.52 3.76 4.36 0.00 -1.26 -4.83 105.19 107.94 2aiz n GLY 35 Ca 0.12 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.67 2.81 -0.56 1.61 5.36 -1.26 -2.05 117.98 121.21 2aiz s PHE 36 Ca 0.09 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 2aiz s PHE 36 Cb 0.00 -3.96 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 2aiz s PHE 36 CO 0.07 -3.09 0.00 -3.47 -1.46 0.00 0.00 175.22 167.27 2aiz n ASP 37 N 1.77 -2.34 -4.56 6.13 -0.08 -1.26 -4.90 116.55 111.31 2aiz n ASP 37 Ca 0.06 0.31 -0.35 0.00 -1.51 0.00 0.00 54.79 53.30 2aiz n ASP 37 Cb 0.39 -2.12 -0.11 0.00 2.34 0.00 0.00 41.12 41.62 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2aiz s LYS 38 N -4.57 3.83 -0.32 -0.67 2.47 -0.87 -4.99 119.74 114.62 2aiz s LYS 38 Ca 0.00 -0.41 0.12 0.00 -1.56 0.00 0.00 55.97 54.12 2aiz s LYS 38 Cb 0.00 -3.17 0.46 0.00 -1.46 0.00 0.00 37.83 33.67 2aiz s LYS 38 CO 0.00 0.16 1.12 2.48 0.16 0.00 0.00 175.35 179.27 2aiz n TYR 39 N 3.84 2.27 -3.80 4.03 4.11 -1.26 -4.51 117.16 121.85 2aiz n TYR 39 Ca -0.17 -2.47 -0.12 0.00 -0.00 0.00 0.00 57.90 55.14 2aiz n TYR 39 Cb 0.52 -0.26 -0.09 0.00 -0.00 0.00 0.00 39.34 39.51 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 -3.57 -0.11 0.57 9.48 1.01 -1.26 -4.52 116.67 118.26 2aiz s ASP 40 Ca 0.41 -0.04 -0.03 0.00 0.71 0.00 0.00 52.55 53.60 2aiz s ASP 40 Cb 0.39 0.28 0.02 0.00 1.01 0.00 0.00 42.92 44.62 2aiz s ASP 40 CO -0.03 -0.44 0.84 -0.63 0.21 0.00 0.00 175.17 175.12 2aiz s ILE 41 N -1.48 3.37 0.10 0.77 1.01 -1.26 -4.88 121.20 118.84 2aiz s ILE 41 Ca -0.13 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.31 2aiz s ILE 41 Cb -0.05 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2aiz s ILE 41 CO 0.03 -0.29 -0.05 0.42 0.00 0.00 0.00 174.94 175.05 2aiz s THR 42 N -2.88 3.66 0.52 2.92 -4.23 -1.26 -5.00 115.64 109.37 2aiz s THR 42 Ca 0.54 -1.16 0.38 0.00 -1.18 0.00 0.00 61.69 60.27 2aiz s THR 42 Cb -0.10 -2.73 0.58 0.00 1.34 0.00 0.00 72.50 71.59 2aiz s THR 42 CO 0.42 0.11 1.72 1.23 -0.54 0.00 0.00 174.62 177.56 2aiz h GLY 43 N 3.51 0.25 1.77 3.99 0.00 -1.99 0.41 103.07 110.99 2aiz h GLY 43 Ca -0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 2aiz h GLY 43 CO 0.56 -0.05 -0.03 0.83 0.00 0.00 0.00 176.54 177.84 2aiz h GLU 44 N 0.05 0.30 -0.32 4.80 4.39 -2.03 -2.66 114.58 119.11 2aiz h GLU 44 Ca 0.69 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.34 2aiz h GLU 44 Cb 2.62 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.22 2aiz h GLU 44 CO -0.08 0.35 0.00 0.66 -1.16 0.00 0.00 179.01 178.78 2aiz n TYR 45 N -4.34 0.41 -0.09 4.33 4.01 0.14 -4.53 117.16 117.08 2aiz n TYR 45 Ca -0.00 -0.26 -0.14 0.00 -0.16 0.00 0.00 57.90 57.34 2aiz n TYR 45 Cb 0.21 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 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 3.62 1.27 -1.01 -0.72 2.07 -1.06 -3.19 116.25 117.22 2aiz h VAL 46 Ca 0.00 -1.66 0.27 0.00 0.82 0.00 0.00 66.70 66.12 2aiz h VAL 46 Cb 0.85 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 2aiz h VAL 46 CO 0.00 0.55 0.69 0.06 0.02 0.00 0.00 177.57 178.88 2aiz h GLN 47 N 0.71 0.24 0.21 1.57 -0.00 -1.80 -0.08 115.11 115.96 2aiz h GLN 47 Ca 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.66 2aiz h GLN 47 Cb 1.09 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 28.51 2aiz h GLN 47 CO 0.11 0.16 -0.13 0.82 -0.00 0.00 0.00 178.83 179.79 2aiz h ILE 48 N 0.25 0.71 -0.63 1.86 2.04 -1.88 0.56 117.51 120.42 2aiz h ILE 48 Ca 0.53 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.51 2aiz h ILE 48 Cb 1.62 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 2aiz h ILE 48 CO -0.16 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.34 2aiz h LEU 49 N -0.34 0.32 -0.21 1.44 -0.00 -1.17 0.86 115.31 116.22 2aiz h LEU 49 Ca -0.02 0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.74 2aiz h LEU 49 Cb 0.28 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2aiz h LEU 49 CO 0.01 0.18 -0.38 0.44 -0.00 0.00 0.00 178.44 178.70 2aiz h ASP 50 N 0.35 0.69 0.17 -0.43 3.32 -0.85 0.37 116.42 120.04 2aiz h ASP 50 Ca 0.30 -0.54 -0.22 0.00 0.02 0.00 0.00 57.03 56.59 2aiz h ASP 50 Cb 0.69 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.05 2aiz h ASP 50 CO -0.08 1.10 -0.88 0.00 -1.72 0.00 0.00 179.24 177.66 2aiz h ALA 51 N 0.61 0.37 -0.38 3.45 0.00 0.37 -2.46 119.26 121.22 2aiz h ALA 51 Ca 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 2aiz h ALA 51 Cb 0.97 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2aiz h ALA 51 CO 0.09 0.76 -0.32 0.45 0.00 0.00 0.00 179.25 180.22 2aiz h HIS 52 N 0.33 1.00 -0.62 0.00 3.86 0.66 -2.32 115.15 118.06 2aiz h HIS 52 Ca -0.07 -0.27 -0.08 0.00 -1.16 0.00 0.00 60.37 58.79 2aiz h HIS 52 Cb 1.51 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.73 2aiz h HIS 52 CO 0.07 1.06 0.09 0.00 0.86 0.00 0.00 177.93 180.01 2aiz h ALA 53 N 0.91 0.82 -0.59 2.45 0.00 -0.91 0.31 119.26 122.25 2aiz h ALA 53 Ca 0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2aiz h ALA 53 Cb 0.89 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2aiz h ALA 53 CO 0.08 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.92 2aiz h ALA 54 N 1.02 0.89 -0.20 0.00 0.00 -1.36 -1.27 119.26 118.34 2aiz h ALA 54 Ca 0.19 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2aiz h ALA 54 Cb 0.44 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2aiz h ALA 54 CO 0.01 0.66 -0.66 -0.92 0.00 0.00 0.00 179.25 178.34 2aiz h TYR 55 N 0.94 1.06 -0.52 0.00 3.20 -1.20 -2.25 116.97 118.20 2aiz h TYR 55 Ca 0.17 -0.43 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 2aiz h TYR 55 Cb 0.54 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2aiz h TYR 55 CO 0.04 1.26 0.28 1.25 -1.64 0.00 0.00 178.16 179.35 2aiz h LEU 56 N 0.55 0.65 -0.52 2.82 5.85 -0.24 -2.74 115.31 121.69 2aiz h LEU 56 Ca -0.02 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 2aiz h LEU 56 Cb 1.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2aiz h LEU 56 CO 0.14 0.56 0.02 -1.13 -0.34 0.00 0.00 178.44 177.69 2aiz h ASN 57 N 0.70 0.88 -1.01 1.25 -0.73 -1.26 -2.76 115.58 112.64 2aiz h ASN 57 Ca 0.18 -0.30 0.29 0.00 1.87 0.00 0.00 56.30 58.35 2aiz h ASN 57 Cb 0.05 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.37 2aiz h ASN 57 CO -0.03 0.96 0.79 0.00 -0.37 0.00 0.00 177.43 178.78 2aiz h ALA 58 N 0.95 2.92 -3.09 1.57 0.00 -1.09 -3.35 119.26 117.16 2aiz h ALA 58 Ca 0.15 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.36 2aiz h ALA 58 Cb 0.49 0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.06 2aiz h ALA 58 CO 0.02 -1.31 -0.74 0.95 0.00 0.00 0.00 179.25 178.17 2aiz s THR 59 N -4.86 3.08 0.12 0.00 -4.23 -1.04 -5.03 115.64 103.68 2aiz s THR 59 Ca -0.05 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 59.43 2aiz s THR 59 Cb 0.21 -2.46 -0.08 0.00 1.34 0.00 0.00 72.50 71.51 2aiz s THR 59 CO 0.73 0.34 1.60 -0.65 -0.54 0.00 0.00 174.62 176.10 2aiz h PRO 60 N 8.07 -0.54 -0.91 3.99 0.11 -1.80 -2.21 132.00 138.71 2aiz h PRO 60 Ca -0.38 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 2aiz h PRO 60 Cb 1.14 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 2aiz h PRO 60 CO 0.60 -0.36 0.07 0.00 -0.21 0.00 0.00 178.00 178.10 2aiz n ALA 61 N -2.81 3.13 -2.66 -0.75 0.00 -1.26 -4.87 120.51 111.29 2aiz n ALA 61 Ca -0.06 -0.72 -0.38 0.00 0.00 0.00 0.00 53.44 52.28 2aiz n ALA 61 Cb 0.35 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.39 3.50 -0.01 0.00 0.00 -0.83 -5.07 121.76 117.96 2aiz s ALA 62 Ca 0.18 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.99 2aiz s ALA 62 Cb 0.14 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2aiz s ALA 62 CO 0.05 0.08 -0.03 -1.59 0.00 0.00 0.00 175.76 174.26 2aiz s LYS 63 N 0.32 0.30 -0.06 0.00 -2.85 -1.26 -4.74 119.74 111.45 2aiz s LYS 63 Ca 0.27 -0.08 -0.08 0.00 -1.00 0.00 0.00 55.97 55.07 2aiz s LYS 63 Cb -0.16 -0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 35.24 2aiz s LYS 63 CO 0.12 0.03 0.22 0.54 0.10 0.00 0.00 175.35 176.36 2aiz s VAL 64 N 0.16 5.37 -0.41 1.79 0.11 0.97 -4.85 120.40 123.54 2aiz s VAL 64 Ca -0.01 0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 59.27 2aiz s VAL 64 Cb -0.04 -3.50 0.09 0.00 -1.53 0.00 0.00 36.38 31.39 2aiz s VAL 64 CO -0.00 0.54 0.23 -0.22 -3.33 0.00 0.00 175.10 172.32 2aiz s LEU 65 N -1.24 5.12 -0.39 2.54 0.20 0.44 -0.67 118.68 124.68 2aiz s LEU 65 Ca 0.20 -1.65 -0.28 0.00 0.69 0.00 0.00 54.13 53.09 2aiz s LEU 65 Cb -0.13 -1.93 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 2aiz s LEU 65 CO 0.09 -0.53 1.05 -0.69 -0.29 0.00 0.00 176.35 175.98 2aiz s VAL 66 N 1.33 4.43 -0.30 1.68 1.01 0.11 0.12 120.40 128.80 2aiz s VAL 66 Ca 0.04 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.29 2aiz s VAL 66 Cb -0.23 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 2aiz s VAL 66 CO -0.00 -0.68 0.20 -0.70 0.00 0.00 0.00 175.10 173.93 2aiz s GLU 67 N 3.86 3.82 -0.10 2.72 2.12 -0.89 -1.90 118.70 128.34 2aiz s GLU 67 Ca 0.44 -0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.32 2aiz s GLU 67 Cb -0.10 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 2aiz s GLU 67 CO 0.22 -0.25 0.06 0.20 -0.54 0.00 0.00 175.26 174.94 2aiz s GLY 68 N 1.75 1.98 -0.25 -1.50 0.00 -0.63 -0.32 107.32 108.34 2aiz s GLY 68 Ca 0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 44.03 2aiz s GLY 68 CO 0.11 -0.47 0.25 -1.31 0.00 0.00 0.00 173.10 171.68 2aiz s ASN 69 N -0.88 1.69 0.81 1.64 0.01 -0.59 -2.06 114.94 115.55 2aiz s ASN 69 Ca 0.13 -0.55 -0.06 0.00 -0.71 0.00 0.00 52.86 51.68 2aiz s ASN 69 Cb -0.12 0.39 0.12 0.00 0.41 0.00 0.00 41.25 42.06 2aiz s ASN 69 CO 0.03 -0.36 0.78 0.35 -1.51 0.00 0.00 177.10 176.39 2aiz n THR 70 N 5.31 0.00 -1.29 1.60 -2.24 -1.26 -1.07 114.28 115.33 2aiz n THR 70 Ca -0.04 -0.86 -0.30 0.00 -2.27 0.00 0.00 64.05 60.59 2aiz n THR 70 Cb 0.47 -1.36 0.13 0.00 -2.10 0.00 0.00 70.33 67.47 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 -3.99 3.64 0.27 3.42 -4.77 -1.26 -4.40 116.67 109.57 2aiz s ASP 71 Ca 0.47 1.41 0.00 0.00 -3.30 0.00 0.00 52.55 51.14 2aiz s ASP 71 Cb -0.02 -2.09 0.36 0.00 -1.09 0.00 0.00 42.92 40.08 2aiz s ASP 71 CO 0.32 -2.52 1.72 -0.08 0.70 0.00 0.00 175.17 175.32 2aiz h GLU 72 N -1.47 0.61 -6.03 2.11 4.22 -1.92 -3.44 114.58 108.65 2aiz h GLU 72 Ca -0.49 -0.21 -0.75 0.00 0.08 0.00 0.00 59.36 57.99 2aiz h GLU 72 Cb 1.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2aiz h GLU 72 CO 0.56 0.75 1.14 -2.13 -2.18 0.00 0.00 179.01 177.16 2aiz n ARG 73 N -4.15 0.58 0.00 1.92 3.00 -1.26 -4.48 116.66 112.26 2aiz n ARG 73 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2aiz n ARG 73 Cb 0.38 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 30.93 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 5.88 0.32 2.99 5.14 0.00 -1.26 -4.93 105.19 113.33 2aiz n GLY 74 Ca 0.40 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 0.35 0.30 2.61 -4.23 -1.26 -5.03 115.64 108.38 2aiz s THR 75 Ca 0.00 -0.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 2aiz s THR 75 Cb 0.00 -0.40 0.32 0.00 1.34 0.00 0.00 72.50 73.77 2aiz s THR 75 CO 0.00 -0.23 1.64 -0.65 -0.54 0.00 0.00 174.62 174.84 2aiz h PRO 76 N 5.13 0.19 -0.31 3.99 0.11 -1.92 0.64 132.00 139.84 2aiz h PRO 76 Ca -0.31 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2aiz h PRO 76 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2aiz h PRO 76 CO 0.45 0.12 0.14 0.93 -0.21 0.00 0.00 178.00 179.43 2aiz h GLU 77 N 0.19 0.45 -0.13 1.05 5.08 -1.98 0.71 114.58 119.96 2aiz h GLU 77 Ca 0.59 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.69 2aiz h GLU 77 Cb 1.24 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2aiz h GLU 77 CO -0.68 0.44 -0.69 -0.92 -1.00 0.00 0.00 179.01 176.16 2aiz h TYR 78 N 0.35 0.72 0.00 4.33 3.20 -1.54 -2.77 116.97 121.26 2aiz h TYR 78 Ca 0.10 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.67 2aiz h TYR 78 Cb 0.14 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2aiz h TYR 78 CO -0.01 1.07 0.00 0.09 -1.64 0.00 0.00 178.16 177.67 2aiz n ASN 79 N -3.89 0.00 -0.17 -2.11 4.13 0.21 -2.02 115.26 111.41 2aiz n ASN 79 Ca -0.05 0.58 0.10 0.00 1.68 0.00 0.00 54.58 56.90 2aiz n ASN 79 Cb 0.69 -0.28 0.19 0.00 -1.54 0.00 0.00 39.78 38.83 2aiz n ASN 79 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2aiz n ILE 80 N -1.35 -0.21 0.41 2.41 5.41 0.25 0.21 119.36 126.48 2aiz n ILE 80 Ca 0.00 1.07 -0.19 0.00 1.00 0.00 0.00 62.75 64.64 2aiz n ILE 80 Cb 0.00 -1.62 -0.09 0.00 -0.71 0.00 0.00 39.64 37.22 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 1.00 -1.05 -0.86 -1.39 0.00 -1.48 1.06 119.26 116.53 2aiz h ALA 81 Ca 0.34 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 55.25 2aiz h ALA 81 Cb 0.77 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 2aiz h ALA 81 CO -0.44 -1.10 0.26 1.25 0.00 0.00 0.00 179.25 179.21 2aiz h LEU 82 N -1.04 0.06 -0.79 0.00 7.12 0.30 0.82 115.31 121.78 2aiz h LEU 82 Ca -0.10 0.18 -0.08 0.00 0.13 0.00 0.00 57.88 58.01 2aiz h LEU 82 Cb 0.82 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2aiz h LEU 82 CO 0.14 -0.11 -0.01 1.23 -0.13 0.00 0.00 178.44 179.56 2aiz h GLY 83 N 0.25 0.97 -0.06 3.75 0.00 -0.36 -2.53 103.07 105.09 2aiz h GLY 83 Ca 0.53 -0.68 0.19 0.00 0.00 0.00 0.00 47.33 47.37 2aiz h GLY 83 CO -0.61 0.63 0.34 1.46 0.00 0.00 0.00 176.54 178.36 2aiz h GLN 84 N 0.83 0.40 -0.19 4.80 4.20 0.82 1.13 115.11 127.11 2aiz h GLN 84 Ca 0.15 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 2aiz h GLN 84 Cb 0.51 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2aiz h GLN 84 CO 0.03 0.27 -0.32 0.07 -0.67 0.00 0.00 178.83 178.20 2aiz h ARG 85 N 0.42 0.38 -0.05 1.46 0.11 -1.01 0.69 114.38 116.37 2aiz h ARG 85 Ca 0.50 -0.16 -0.01 0.00 0.10 0.00 0.00 59.98 60.41 2aiz h ARG 85 Cb 0.87 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 2aiz h ARG 85 CO -0.48 0.66 0.01 0.00 0.10 0.00 0.00 179.97 180.26 2aiz h ARG 86 N 0.33 0.09 -0.48 0.08 3.08 0.13 -1.84 114.38 115.76 2aiz h ARG 86 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2aiz h ARG 86 Cb 0.73 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2aiz h ARG 86 CO 0.06 0.31 0.31 0.00 -1.07 0.00 0.00 179.97 179.58 2aiz h ALA 87 N 0.77 1.64 -0.30 0.04 0.00 0.94 0.62 119.26 122.97 2aiz h ALA 87 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2aiz h ALA 87 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2aiz h ALA 87 CO 0.00 0.33 0.09 -0.44 0.00 0.00 0.00 179.25 179.22 2aiz h ASP 88 N 0.65 0.39 0.20 0.00 5.19 -0.45 0.27 116.42 122.68 2aiz h ASP 88 Ca 0.18 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 2aiz h ASP 88 Cb -0.06 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.35 2aiz h ASP 88 CO -0.04 0.39 -0.10 0.00 -3.12 0.00 0.00 179.24 176.37 2aiz h ALA 89 N 1.67 -0.88 -0.78 3.45 0.00 -0.05 0.82 119.26 123.49 2aiz h ALA 89 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.08 2aiz h ALA 89 Cb 0.15 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2aiz h ALA 89 CO -0.01 -0.86 0.39 0.28 0.00 0.00 0.00 179.25 179.05 2aiz h VAL 90 N -0.32 0.77 -0.92 0.00 2.07 -1.39 0.19 116.25 116.65 2aiz h VAL 90 Ca -0.03 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2aiz h VAL 90 Cb 0.21 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 2aiz h VAL 90 CO 0.05 0.11 0.60 0.50 0.02 0.00 0.00 177.57 178.84 2aiz h LYS 91 N 0.60 1.13 0.00 1.57 3.11 -0.47 0.02 116.57 122.53 2aiz h LYS 91 Ca 0.41 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 2aiz h LYS 91 Cb 0.53 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 2aiz h LYS 91 CO -0.33 0.75 0.00 0.78 -2.81 0.00 0.00 179.45 177.84 2aiz h GLY 92 N 1.16 0.00 0.21 5.01 0.00 0.95 -2.31 103.07 108.10 2aiz h GLY 92 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 2aiz h GLY 92 CO -0.12 0.00 -0.10 -1.82 0.00 0.00 0.00 176.54 174.50 2aiz h TYR 93 N 0.00 -0.26 -0.58 5.60 5.03 0.85 -2.20 116.97 125.40 2aiz h TYR 93 Ca 0.00 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.42 2aiz h TYR 93 Cb 0.58 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.91 2aiz h TYR 93 CO 0.00 -0.16 0.39 -0.07 -1.32 0.00 0.00 178.16 177.00 2aiz h LEU 94 N -0.65 0.26 -0.84 2.82 3.38 -1.51 0.17 115.31 118.94 2aiz h LEU 94 Ca -0.03 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2aiz h LEU 94 Cb 0.22 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2aiz h LEU 94 CO 0.05 0.15 0.55 0.00 0.09 0.00 0.00 178.44 179.27 2aiz h ALA 95 N 1.71 1.09 0.00 1.53 0.00 -1.44 -0.17 119.26 121.98 2aiz h ALA 95 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2aiz h ALA 95 Cb 0.69 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2aiz h ALA 95 CO -0.06 0.42 -0.14 0.78 0.00 0.00 0.00 179.25 180.25 2aiz h GLY 96 N 1.09 0.00 2.00 0.00 0.00 -0.02 -2.19 103.07 103.94 2aiz h GLY 96 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2aiz h GLY 96 CO -0.09 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.73 2aiz n LYS 97 N -3.32 0.00 0.00 4.80 4.01 -0.14 -4.87 118.16 118.65 2aiz n LYS 97 Ca -0.00 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 2aiz n LYS 97 Cb 0.36 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2aiz n GLY 98 N 0.90 0.67 3.69 0.72 0.00 -0.82 -5.08 105.19 105.28 2aiz n GLY 98 Ca 0.06 0.00 -0.42 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 4.27 0.36 1.61 1.01 -0.84 -4.98 120.40 119.82 2aiz s VAL 99 Ca 0.00 1.60 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 2aiz s VAL 99 Cb 0.00 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 2aiz s VAL 99 CO 0.00 0.01 1.44 1.51 0.00 0.00 0.00 175.10 178.07 2aiz s ASP 100 N 1.41 6.47 0.41 3.32 1.47 -1.26 -4.24 116.67 124.25 2aiz s ASP 100 Ca 0.56 2.94 0.21 0.00 1.18 0.00 0.00 52.55 57.43 2aiz s ASP 100 Cb -0.25 -2.66 1.17 0.00 -0.34 0.00 0.00 42.92 40.84 2aiz s ASP 100 CO 0.23 -0.78 1.74 0.00 0.68 0.00 0.00 175.17 177.03 2aiz h ALA 101 N 3.28 2.33 0.00 2.11 0.00 -1.94 0.66 119.26 125.71 2aiz h ALA 101 Ca -0.50 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2aiz h ALA 101 Cb 1.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2aiz h ALA 101 CO 0.66 -0.79 0.00 0.78 0.00 0.00 0.00 179.25 179.90 2aiz h GLY 102 N 0.33 0.00 0.85 0.00 0.00 -2.01 -1.35 103.07 100.89 2aiz h GLY 102 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2aiz h GLY 102 CO -0.33 0.00 -0.83 0.28 0.00 0.00 0.00 176.54 175.66 2aiz n LYS 103 N -2.62 0.28 -4.04 4.80 5.02 0.23 -4.88 118.16 116.94 2aiz n LYS 103 Ca -0.01 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.97 2aiz n LYS 103 Cb 0.13 -1.63 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 2aiz n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aiz s LEU 104 N -4.01 4.09 0.01 -0.35 1.43 -0.51 -0.02 118.68 119.32 2aiz s LEU 104 Ca 0.05 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2aiz s LEU 104 Cb 0.14 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 2aiz s LEU 104 CO 0.76 0.33 -0.02 -0.83 0.23 0.00 0.00 176.35 176.82 2aiz s GLY 105 N -1.43 0.15 0.10 -3.19 0.00 0.15 -4.93 107.32 98.18 2aiz s GLY 105 Ca 0.20 -0.37 0.06 0.00 0.00 0.00 0.00 44.72 44.61 2aiz s GLY 105 CO 0.10 -0.41 -0.16 -0.51 0.00 0.00 0.00 173.10 172.12 2aiz s THR 106 N -0.90 1.35 -0.30 0.90 -4.23 -1.26 0.08 115.64 111.28 2aiz s THR 106 Ca -0.10 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 58.70 2aiz s THR 106 Cb -0.06 -1.38 0.18 0.00 1.34 0.00 0.00 72.50 72.58 2aiz s THR 106 CO -0.01 -0.27 1.17 0.68 -0.54 0.00 0.00 174.62 175.65 2aiz s VAL 107 N -1.62 -0.23 -0.08 2.29 -7.23 -0.80 -4.93 120.40 107.81 2aiz s VAL 107 Ca 0.05 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.26 2aiz s VAL 107 Cb -0.08 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 2aiz s VAL 107 CO 0.03 0.00 -0.22 -0.94 -0.31 0.00 0.00 175.10 173.66 2aiz s SER 108 N 2.28 3.31 -0.48 4.85 1.04 -1.26 -1.61 113.70 121.84 2aiz s SER 108 Ca -0.01 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 55.99 2aiz s SER 108 Cb -0.03 -1.10 0.60 0.00 0.10 0.00 0.00 66.02 65.58 2aiz s SER 108 CO -0.16 0.22 1.88 -1.22 0.98 0.00 0.00 173.24 174.94 2aiz n TYR 109 N 3.12 2.87 0.00 5.02 4.01 -0.87 -4.81 117.16 126.49 2aiz n TYR 109 Ca -0.18 -2.10 0.00 0.00 -0.16 0.00 0.00 57.90 55.46 2aiz n TYR 109 Cb 0.52 -1.00 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 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 -1.09 0.00 0.57 2.72 0.00 -1.26 -1.57 105.19 104.56 2aiz n GLY 110 Ca 0.57 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.67 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 2.56 -0.05 1.61 1.02 -1.26 -4.32 120.64 120.21 2aiz n GLU 111 Ca 0.00 -2.48 -0.13 0.00 -0.02 0.00 0.00 57.16 54.53 2aiz n GLU 111 Cb 0.00 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.79 2aiz n GLU 111 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2aiz h GLU 112 N 1.26 0.27 -2.58 3.49 4.11 -1.65 -3.41 114.58 116.09 2aiz h GLU 112 Ca 0.00 -0.13 -0.58 0.00 0.07 0.00 0.00 59.36 58.72 2aiz h GLU 112 Cb 1.10 -0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.96 2aiz h GLU 112 CO 0.10 0.63 -0.85 0.15 0.07 0.00 0.00 179.01 179.11 2aiz s LYS 113 N -4.48 0.59 1.01 1.06 1.02 -1.24 -5.13 119.74 112.57 2aiz s LYS 113 Ca -0.14 -1.39 -0.11 0.00 0.02 0.00 0.00 55.97 54.34 2aiz s LYS 113 Cb 0.05 -1.33 0.20 0.00 -0.52 0.00 0.00 37.83 36.22 2aiz s LYS 113 CO 0.73 -1.22 1.10 -2.14 -0.92 0.00 0.00 175.35 172.90 2aiz s PRO 114 N 0.99 0.28 -0.04 -1.68 0.02 -1.26 -5.00 135.00 128.31 2aiz s PRO 114 Ca 0.19 1.30 -0.06 0.00 0.02 0.00 0.00 61.00 62.44 2aiz s PRO 114 Cb -0.21 -1.66 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 2aiz s PRO 114 CO -0.00 -3.05 -0.12 0.00 -0.33 0.00 0.00 177.00 173.50 2aiz n ALA 115 N -4.50 1.31 -2.58 -1.55 0.00 -1.26 -4.93 120.51 107.00 2aiz n ALA 115 Ca 0.09 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 2aiz n ALA 115 Cb 0.53 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.82 4.63 0.25 0.00 1.01 -1.26 -5.02 120.40 118.19 2aiz s VAL 116 Ca -0.10 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2aiz s VAL 116 Cb 0.01 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 2aiz s VAL 116 CO 0.15 -0.80 1.38 -0.76 0.00 0.00 0.00 175.10 175.06 2aiz s LEU 117 N 3.32 4.40 0.00 3.92 2.01 -1.26 -4.85 118.68 126.22 2aiz s LEU 117 Ca 0.28 2.59 0.00 0.00 0.01 0.00 0.00 54.13 57.01 2aiz s LEU 117 Cb -0.13 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.45 2aiz s LEU 117 CO 0.21 -0.62 0.00 0.61 1.01 0.00 0.00 176.35 177.56 2aiz n GLY 118 N 1.97 1.98 2.21 -3.19 0.00 -1.26 -4.90 105.19 101.99 2aiz n GLY 118 Ca 0.05 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.74 2aiz n GLY 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2aiz n HIS 119 N -1.17 0.01 -4.10 1.61 1.44 -1.26 -4.73 115.22 107.02 2aiz n HIS 119 Ca 0.00 -3.73 -0.13 0.00 -2.01 0.00 0.00 57.72 51.84 2aiz n HIS 119 Cb 0.00 -0.34 -0.11 0.00 0.12 0.00 0.00 29.99 29.66 2aiz n HIS 119 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2aiz s ASP 120 N -2.27 1.06 0.44 4.39 1.11 -1.26 -4.94 116.67 115.20 2aiz s ASP 120 Ca 0.39 -0.66 0.37 0.00 0.18 0.00 0.00 52.55 52.83 2aiz s ASP 120 Cb 0.33 0.03 1.44 0.00 1.07 0.00 0.00 42.92 45.79 2aiz s ASP 120 CO -0.08 -0.24 1.40 -0.62 1.18 0.00 0.00 175.17 176.81 2aiz n GLU 121 N 1.11 -0.02 0.30 8.23 -0.58 -1.26 0.86 120.64 129.28 2aiz n GLU 121 Ca -0.20 1.05 -0.12 0.00 -0.42 0.00 0.00 57.16 57.47 2aiz n GLU 121 Cb 0.56 -2.23 -0.06 0.00 -0.57 0.00 0.00 31.44 29.14 2aiz n GLU 121 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aiz h ALA 122 N 1.18 -0.90 -0.52 0.62 0.00 -1.98 0.16 119.26 117.82 2aiz h ALA 122 Ca 0.82 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.50 2aiz h ALA 122 Cb 2.94 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 21.01 2aiz h ALA 122 CO -0.23 -0.84 0.11 0.00 0.00 0.00 0.00 179.25 178.29 2aiz h ALA 123 N -1.37 0.69 0.17 0.00 0.00 -0.97 -2.47 119.26 115.30 2aiz h ALA 123 Ca -0.08 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2aiz h ALA 123 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2aiz h ALA 123 CO 0.13 0.40 -0.23 1.88 0.00 0.00 0.00 179.25 181.43 2aiz h TYR 124 N 0.73 -0.60 -0.75 0.00 0.05 0.41 -0.37 116.97 116.43 2aiz h TYR 124 Ca 0.16 0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.06 2aiz h TYR 124 Cb 0.36 0.24 -0.05 0.00 1.01 0.00 0.00 36.73 38.29 2aiz h TYR 124 CO 0.03 -0.33 0.50 0.77 -1.05 0.00 0.00 178.16 178.07 2aiz h SER 125 N -0.46 0.55 1.45 3.88 0.02 -0.62 0.13 113.55 118.50 2aiz h SER 125 Ca 0.01 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2aiz h SER 125 Cb 0.45 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 2aiz h SER 125 CO -0.09 0.32 -0.09 0.11 -1.14 0.00 0.00 176.83 175.93 2aiz h LYS 126 N 0.60 0.00 0.18 3.45 1.57 -0.90 -3.30 116.57 118.17 2aiz h LYS 126 Ca 0.36 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.88 2aiz h LYS 126 Cb 0.56 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.90 2aiz h LYS 126 CO -0.13 0.09 -1.15 -0.91 -0.57 0.00 0.00 179.45 176.79 2aiz h ASN 127 N 0.00 0.59 -0.19 0.86 2.35 0.95 -3.39 115.58 116.75 2aiz h ASN 127 Ca -0.00 -0.93 -0.56 0.00 -0.55 0.00 0.00 56.30 54.26 2aiz h ASN 127 Cb 0.84 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 39.03 2aiz h ASN 127 CO 0.01 1.54 1.98 -2.11 -1.65 0.00 0.00 177.43 177.20 2aiz n ARG 128 N -3.95 1.71 -4.31 0.81 0.00 -0.93 -4.16 116.66 105.83 2aiz n ARG 128 Ca -0.17 -2.16 -0.18 0.00 -0.00 0.00 0.00 57.85 55.34 2aiz n ARG 128 Cb 0.94 -3.22 -0.14 0.00 -0.00 0.00 0.00 32.46 30.04 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 5.29 0.76 -0.43 2.89 1.70 -0.23 -0.20 118.95 128.72 2aiz s ARG 129 Ca 0.60 -0.53 -0.01 0.00 -0.47 0.00 0.00 55.73 55.32 2aiz s ARG 129 Cb 0.09 -0.71 0.12 0.00 -0.57 0.00 0.00 34.95 33.88 2aiz s ARG 129 CO 0.11 0.18 0.22 0.00 -1.08 0.00 0.00 175.30 174.73 2aiz s ALA 130 N -0.60 3.18 -0.43 7.88 0.00 -0.85 -1.55 121.76 129.40 2aiz s ALA 130 Ca 0.01 -2.69 -0.26 0.00 0.00 0.00 0.00 51.96 49.03 2aiz s ALA 130 Cb -0.06 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2aiz s ALA 130 CO 0.00 -1.84 0.93 0.08 0.00 0.00 0.00 175.76 174.93 2aiz s VAL 131 N 0.84 4.50 -0.48 0.00 1.01 0.56 -2.18 120.40 124.66 2aiz s VAL 131 Ca 0.10 0.91 -0.26 0.00 0.00 0.00 0.00 61.98 62.73 2aiz s VAL 131 Cb -0.22 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 2aiz s VAL 131 CO -0.05 -0.74 2.23 -0.76 0.00 0.00 0.00 175.10 175.79 2aiz s LEU 132 N 3.68 3.39 -0.22 3.92 2.01 0.40 -2.09 118.68 129.77 2aiz s LEU 132 Ca 0.38 1.01 -0.13 0.00 0.01 0.00 0.00 54.13 55.40 2aiz s LEU 132 Cb -0.11 -2.68 -0.05 0.00 0.01 0.00 0.00 46.19 43.37 2aiz s LEU 132 CO 0.24 -2.61 0.26 0.00 1.01 0.00 0.00 176.35 175.25 2aiz s ALA 133 N 10.81 3.59 -2.53 4.21 0.00 0.34 -4.88 121.76 133.30 2aiz s ALA 133 Ca 0.90 -0.71 0.28 0.00 0.00 0.00 0.00 51.96 52.42 2aiz s ALA 133 Cb -0.18 -2.44 0.99 0.00 0.00 0.00 0.00 23.12 21.49 2aiz s ALA 133 CO 0.26 -0.20 1.71 0.66 0.00 0.00 0.00 175.76 178.19