#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 -7.81 -3.46 0.00 3.41 -1.26 -4.83 113.62 99.67 2aiz n SER 2 Ca 0.00 1.28 -0.24 0.00 -0.26 0.00 0.00 58.87 59.65 2aiz n SER 2 Cb 0.00 -4.80 0.06 0.00 -0.26 0.00 0.00 64.21 59.21 2aiz n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aiz n SER 3 N -4.33 -6.04 0.07 4.04 3.41 -1.26 -4.89 113.62 104.61 2aiz n SER 3 Ca -0.08 -0.49 -0.05 0.00 -0.26 0.00 0.00 58.87 58.00 2aiz n SER 3 Cb 0.67 -4.80 -0.09 0.00 -0.26 0.00 0.00 64.21 59.73 2aiz n SER 3 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2aiz h SER 4 N -2.19 0.00 -3.46 4.04 0.87 -2.07 -3.45 113.55 107.29 2aiz h SER 4 Ca -0.56 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.33 2aiz h SER 4 Cb 1.37 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.15 2aiz h SER 4 CO 0.58 0.86 -0.66 0.20 -0.53 0.00 0.00 176.83 177.28 2aiz s ASN 5 N -6.51 4.95 -0.10 6.23 -0.87 -1.26 -5.11 114.94 112.26 2aiz s ASN 5 Ca 0.01 0.05 0.04 0.00 -1.57 0.00 0.00 52.86 51.38 2aiz s ASN 5 Cb 0.09 -1.38 0.00 0.00 -0.02 0.00 0.00 41.25 39.94 2aiz s ASN 5 CO 0.80 0.35 -0.23 0.21 -2.57 0.00 0.00 177.10 175.66 2aiz s ASN 6 N -0.71 3.03 -0.02 -1.22 3.04 -1.26 -5.04 114.94 112.75 2aiz s ASN 6 Ca 0.11 -0.55 -0.03 0.00 0.04 0.00 0.00 52.86 52.43 2aiz s ASN 6 Cb -0.11 -1.36 -0.02 0.00 -1.54 0.00 0.00 41.25 38.22 2aiz s ASN 6 CO 0.02 0.16 0.26 0.44 -3.04 0.00 0.00 177.10 174.94 2aiz h ASP 7 N 6.69 -0.09 0.00 -4.21 3.32 -2.00 -3.44 116.42 116.70 2aiz h ASP 7 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2aiz h ASP 7 Cb 1.23 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2aiz h ASP 7 CO 0.47 0.08 -0.33 0.00 -1.72 0.00 0.00 179.24 177.73 2aiz n ALA 8 N -2.28 1.80 0.00 3.45 0.00 -1.26 -4.99 120.51 117.22 2aiz n ALA 8 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2aiz n ALA 8 Cb 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.00 0.00 0.02 0.00 0.00 -1.26 -4.91 120.51 114.36 2aiz n ALA 9 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2aiz n ALA 9 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 -1.29 -3.05 0.00 0.00 -1.99 -3.48 103.07 93.26 2aiz h GLY 10 Ca 0.00 0.59 0.36 0.00 0.00 0.00 0.00 47.33 48.29 2aiz h GLY 10 CO 0.00 -0.45 0.94 0.21 0.00 0.00 0.00 176.54 177.24 2aiz s ASN 11 N -2.99 -0.03 0.04 0.19 3.84 -1.26 -5.02 114.94 109.70 2aiz s ASN 11 Ca -0.04 -0.04 0.25 0.00 0.21 0.00 0.00 52.86 53.23 2aiz s ASN 11 Cb 0.01 0.06 0.41 0.00 -0.55 0.00 0.00 41.25 41.18 2aiz s ASN 11 CO 0.14 -0.11 1.34 0.61 -2.79 0.00 0.00 177.10 176.29 2aiz n GLY 12 N -0.44 -1.29 0.46 1.21 0.00 -1.26 -4.25 105.19 99.63 2aiz n GLY 12 Ca -0.08 -0.33 0.22 0.00 0.00 0.00 0.00 46.02 45.83 2aiz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aiz h ALA 13 N 2.82 2.56 -0.66 4.61 0.00 -2.03 -3.44 119.26 123.12 2aiz h ALA 13 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 2aiz h ALA 13 Cb 0.59 0.05 0.07 0.00 0.00 0.00 0.00 17.79 18.50 2aiz h ALA 13 CO 0.00 -1.34 -0.36 0.00 0.00 0.00 0.00 179.25 177.55 2aiz n ALA 14 N -2.14 -2.08 -1.95 0.00 0.00 -1.26 -4.68 120.51 108.41 2aiz n ALA 14 Ca 0.15 0.17 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 2aiz n ALA 14 Cb 1.20 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 2aiz n ALA 14 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aiz s GLN 15 N -0.53 2.95 -0.36 0.00 -1.52 -1.26 -4.90 119.66 114.05 2aiz s GLN 15 Ca 0.33 1.18 0.03 0.00 -1.95 0.00 0.00 55.36 54.95 2aiz s GLN 15 Cb -0.43 -4.31 0.16 0.00 -0.22 0.00 0.00 33.01 28.21 2aiz s GLN 15 CO 0.31 -2.32 0.40 0.95 -0.25 0.00 0.00 175.29 174.38 2aiz s THR 16 N 8.27 -0.44 -0.53 -0.19 -4.23 -1.26 -4.24 115.64 113.01 2aiz s THR 16 Ca 0.78 -0.76 -0.22 0.00 -1.18 0.00 0.00 61.69 60.31 2aiz s THR 16 Cb -0.19 -0.66 0.05 0.00 1.34 0.00 0.00 72.50 73.03 2aiz s THR 16 CO 0.28 -0.48 0.81 -0.36 -0.54 0.00 0.00 174.62 174.34 2aiz s PHE 17 N 1.68 2.90 0.00 3.99 0.08 0.33 -4.20 117.98 122.77 2aiz s PHE 17 Ca 0.15 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.99 2aiz s PHE 17 Cb -0.14 -3.84 0.00 0.00 -0.57 0.00 0.00 43.02 38.47 2aiz s PHE 17 CO -0.09 -1.21 0.00 0.41 -0.10 0.00 0.00 175.22 174.23 2aiz n GLY 18 N 5.13 0.09 0.00 4.36 0.00 -1.26 -2.73 105.19 110.78 2aiz n GLY 18 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2aiz n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aiz n GLY 19 N 0.19 3.34 3.60 -0.02 0.00 -1.26 -4.83 105.19 106.21 2aiz n GLY 19 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 2.44 0.17 1.61 2.02 -1.11 -4.97 117.35 117.44 2aiz s TYR 20 Ca 0.00 -0.70 0.06 0.00 -0.37 0.00 0.00 57.07 56.05 2aiz s TYR 20 Cb 0.00 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2aiz s TYR 20 CO 0.00 0.39 0.10 -1.12 -1.57 0.00 0.00 175.55 173.36 2aiz s SER 21 N -3.68 5.31 0.23 2.29 0.01 -1.26 0.12 113.70 116.72 2aiz s SER 21 Ca 0.35 -0.21 -0.16 0.00 1.31 0.00 0.00 55.95 57.24 2aiz s SER 21 Cb 0.10 -1.32 0.25 0.00 0.21 0.00 0.00 66.02 65.25 2aiz s SER 21 CO 0.18 0.07 1.49 0.52 0.41 0.00 0.00 173.24 175.91 2aiz n VAL 22 N -0.33 -0.50 0.28 3.43 0.31 -1.26 0.99 118.33 121.25 2aiz n VAL 22 Ca -0.09 2.25 0.15 0.00 -0.01 0.00 0.00 64.34 66.65 2aiz n VAL 22 Cb 0.55 -2.99 0.82 0.00 -0.91 0.00 0.00 33.84 31.32 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 1.37 1.16 0.01 3.52 0.00 -1.98 0.08 119.26 123.41 2aiz h ALA 23 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.84 2aiz h ALA 23 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2aiz h ALA 23 CO -0.96 -0.16 -2.46 -3.47 0.00 0.00 0.00 179.25 172.21 2aiz n ASP 24 N -2.69 1.98 0.30 0.00 2.03 0.28 -3.81 116.55 114.63 2aiz n ASP 24 Ca -0.02 0.04 0.18 0.00 0.52 0.00 0.00 54.79 55.51 2aiz n ASP 24 Cb 0.22 -0.57 0.95 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.33 0.00 0.00 -2.67 3.38 -0.26 1.09 115.31 116.53 2aiz h LEU 25 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2aiz h LEU 25 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2aiz h LEU 25 CO -0.19 0.03 -1.18 0.00 0.09 0.00 0.00 178.44 177.20 2aiz n GLN 26 N -3.35 0.31 0.00 1.13 1.13 -0.05 -4.24 117.38 112.31 2aiz n GLN 26 Ca -0.02 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2aiz n GLN 26 Cb 0.16 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.94 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 -1.96 3.22 -0.01 -1.09 6.02 -0.92 -4.97 117.38 117.67 2aiz n GLN 27 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.97 2aiz n GLN 27 Cb 0.44 -0.47 -0.01 0.00 1.02 0.00 0.00 30.24 31.23 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2aiz n ARG 28 N -0.53 0.16 -3.68 -1.09 5.12 0.37 -4.96 116.66 112.06 2aiz n ARG 28 Ca 0.00 0.06 -0.38 0.00 -1.93 0.00 0.00 57.85 55.60 2aiz n ARG 28 Cb 0.00 -0.71 -0.10 0.00 -1.16 0.00 0.00 32.46 30.50 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2aiz s TYR 29 N -2.01 3.50 0.00 -1.55 2.02 -0.83 -4.73 117.35 113.75 2aiz s TYR 29 Ca -0.09 -2.34 0.00 0.00 -0.37 0.00 0.00 57.07 54.27 2aiz s TYR 29 Cb 0.01 -3.32 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 2aiz s TYR 29 CO 0.13 -0.94 0.39 0.27 -1.57 0.00 0.00 175.55 173.83 2aiz n ASN 30 N 4.31 0.00 -4.09 2.29 0.23 -1.26 -4.59 115.26 112.14 2aiz n ASN 30 Ca 0.00 -0.96 -0.27 0.00 -0.53 0.00 0.00 54.58 52.82 2aiz n ASN 30 Cb 0.40 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.94 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2aiz s THR 31 N 0.00 1.45 0.07 5.53 2.01 -1.26 0.14 115.64 123.58 2aiz s THR 31 Ca 0.00 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2aiz s THR 31 Cb 0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2aiz s THR 31 CO 0.00 0.42 0.00 -0.69 -0.69 0.00 0.00 174.62 173.67 2aiz s VAL 32 N 0.50 4.07 -0.21 3.82 1.01 -0.96 -4.98 120.40 123.64 2aiz s VAL 32 Ca -0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2aiz s VAL 32 Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2aiz s VAL 32 CO 0.05 0.17 -0.09 -0.31 0.00 0.00 0.00 175.10 174.92 2aiz s TYR 33 N -1.27 2.93 0.40 5.22 1.51 -1.26 -1.97 117.35 122.91 2aiz s TYR 33 Ca 0.25 -1.26 0.08 0.00 -1.01 0.00 0.00 57.07 55.13 2aiz s TYR 33 Cb -0.12 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2aiz s TYR 33 CO 0.17 -0.66 0.45 -0.06 -1.11 0.00 0.00 175.55 174.34 2aiz s PHE 34 N 1.40 2.80 0.00 2.71 0.40 0.40 -4.79 117.98 120.89 2aiz s PHE 34 Ca 0.05 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 2aiz s PHE 34 Cb -0.14 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.18 2aiz s PHE 34 CO -0.06 -0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.06 2aiz n GLY 35 N -1.66 3.22 3.58 4.36 0.00 -1.26 -4.62 105.19 108.81 2aiz n GLY 35 Ca 0.05 -2.17 -0.46 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.45 2.00 -4.03 1.61 7.35 -1.26 -1.97 117.46 120.71 2aiz n PHE 36 Ca 0.00 -0.04 -0.33 0.00 -0.76 0.00 0.00 57.45 56.32 2aiz n PHE 36 Cb 0.00 -2.68 -0.03 0.00 0.35 0.00 0.00 39.48 37.12 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 9.97 -3.06 -4.80 -2.13 2.03 -1.26 -4.91 116.55 112.39 2aiz n ASP 37 Ca 0.30 -0.86 -0.39 0.00 0.52 0.00 0.00 54.79 54.37 2aiz n ASP 37 Cb 0.37 -2.53 -0.06 0.00 -0.72 0.00 0.00 41.12 38.17 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2aiz s LYS 38 N -6.71 4.19 -0.43 -0.67 3.01 -0.83 -5.00 119.74 113.30 2aiz s LYS 38 Ca 0.66 0.67 0.06 0.00 -1.01 0.00 0.00 55.97 56.36 2aiz s LYS 38 Cb -0.37 -3.27 0.42 0.00 -1.01 0.00 0.00 37.83 33.61 2aiz s LYS 38 CO 0.82 0.56 1.09 0.98 0.51 0.00 0.00 175.35 179.31 2aiz n TYR 39 N 2.07 3.17 -3.67 3.18 4.19 -1.26 -4.69 117.16 120.14 2aiz n TYR 39 Ca -0.10 -3.08 -0.15 0.00 3.31 0.00 0.00 57.90 57.88 2aiz n TYR 39 Cb 0.51 -0.11 -0.08 0.00 0.49 0.00 0.00 39.34 40.15 2aiz n TYR 39 CO 0.00 0.00 0.00 0.16 0.91 0.00 0.00 176.86 177.93 2aiz s ASP 40 N -3.50 -0.36 0.34 2.98 1.47 -1.26 -4.99 116.67 111.35 2aiz s ASP 40 Ca 0.46 0.29 0.04 0.00 1.18 0.00 0.00 52.55 54.52 2aiz s ASP 40 Cb 0.41 0.40 -0.02 0.00 -0.34 0.00 0.00 42.92 43.37 2aiz s ASP 40 CO -0.16 -0.52 0.49 -0.63 0.68 0.00 0.00 175.17 175.03 2aiz s ILE 41 N -1.37 4.47 -0.01 2.11 1.01 -1.26 -4.87 121.20 121.28 2aiz s ILE 41 Ca -0.12 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.72 2aiz s ILE 41 Cb -0.03 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 2aiz s ILE 41 CO 0.06 -0.28 -0.06 0.42 0.00 0.00 0.00 174.94 175.07 2aiz s THR 42 N -2.22 3.69 0.50 2.92 -4.23 -1.26 -5.00 115.64 110.03 2aiz s THR 42 Ca 0.42 -0.71 0.31 0.00 -1.18 0.00 0.00 61.69 60.54 2aiz s THR 42 Cb -0.09 -2.59 0.51 0.00 1.34 0.00 0.00 72.50 71.67 2aiz s THR 42 CO 0.32 0.43 1.78 1.23 -0.54 0.00 0.00 174.62 177.85 2aiz h GLY 43 N 4.66 0.43 1.61 3.99 0.00 -1.99 0.24 103.07 112.01 2aiz h GLY 43 Ca -0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2aiz h GLY 43 CO 0.54 -0.06 0.17 -2.09 0.00 0.00 0.00 176.54 175.10 2aiz h GLU 44 N 0.12 0.51 -0.03 4.80 4.81 -2.02 -2.30 114.58 120.47 2aiz h GLU 44 Ca 0.60 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2aiz h GLU 44 Cb 2.09 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.37 2aiz h GLU 44 CO -0.11 0.40 -0.02 0.66 -0.73 0.00 0.00 179.01 179.20 2aiz n TYR 45 N -4.42 0.00 -0.16 0.92 4.01 0.78 -4.43 117.16 113.86 2aiz n TYR 45 Ca 0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 2aiz n TYR 45 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 4.50 1.25 -0.96 -0.72 2.07 -0.77 -3.09 116.25 118.52 2aiz h VAL 46 Ca 0.00 -0.92 0.31 0.00 0.82 0.00 0.00 66.70 66.91 2aiz h VAL 46 Cb 0.97 0.93 -0.17 0.00 -1.52 0.00 0.00 31.29 31.50 2aiz h VAL 46 CO 0.00 0.32 0.29 0.06 0.02 0.00 0.00 177.57 178.26 2aiz h GLN 47 N 0.65 0.10 -0.14 1.57 -0.00 -1.77 0.36 115.11 115.88 2aiz h GLN 47 Ca 0.14 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.81 2aiz h GLN 47 Cb 0.39 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 27.83 2aiz h GLN 47 CO 0.01 0.06 -0.01 0.82 -0.00 0.00 0.00 178.83 179.71 2aiz h ILE 48 N 0.10 0.89 -0.69 1.86 2.04 -1.86 0.77 117.51 120.62 2aiz h ILE 48 Ca 0.67 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 66.65 2aiz h ILE 48 Cb 1.52 0.86 -0.10 0.00 -0.74 0.00 0.00 36.82 38.36 2aiz h ILE 48 CO -0.77 0.01 0.19 -0.07 0.00 0.00 0.00 178.15 177.51 2aiz h LEU 49 N 0.03 0.09 -0.50 1.44 4.07 -0.39 0.85 115.31 120.90 2aiz h LEU 49 Ca 0.07 0.12 -0.17 0.00 0.08 0.00 0.00 57.88 57.98 2aiz h LEU 49 Cb 0.08 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2aiz h LEU 49 CO -0.12 0.03 -0.72 -2.24 -1.08 0.00 0.00 178.44 174.30 2aiz h ASP 50 N 0.32 0.21 -0.00 -0.43 3.04 -1.05 -1.63 116.42 116.87 2aiz h ASP 50 Ca 0.37 -0.14 -0.01 0.00 -3.24 0.00 0.00 57.03 54.01 2aiz h ASP 50 Cb 0.58 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 2aiz h ASP 50 CO -0.43 0.86 -0.05 0.00 -2.04 0.00 0.00 179.24 177.58 2aiz h ALA 51 N 1.13 0.01 -0.62 4.15 0.00 0.61 -2.49 119.26 122.05 2aiz h ALA 51 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2aiz h ALA 51 Cb 1.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2aiz h ALA 51 CO 0.11 -0.10 0.37 0.45 0.00 0.00 0.00 179.25 180.08 2aiz h HIS 52 N -0.66 0.81 -0.52 0.00 3.86 0.59 -2.06 115.15 117.18 2aiz h HIS 52 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2aiz h HIS 52 Cb 0.76 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 2aiz h HIS 52 CO 0.18 0.55 0.30 0.00 0.86 0.00 0.00 177.93 179.82 2aiz h ALA 53 N 1.55 0.67 -0.73 2.45 0.00 -1.30 0.69 119.26 122.58 2aiz h ALA 53 Ca 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2aiz h ALA 53 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2aiz h ALA 53 CO -0.04 0.17 0.37 0.00 0.00 0.00 0.00 179.25 179.74 2aiz h ALA 54 N 1.14 0.94 -0.14 0.00 0.00 -0.91 0.18 119.26 120.47 2aiz h ALA 54 Ca 0.19 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 2aiz h ALA 54 Cb 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2aiz h ALA 54 CO -0.03 0.50 -0.81 -0.92 0.00 0.00 0.00 179.25 177.99 2aiz h TYR 55 N 1.02 1.07 -0.54 0.00 3.20 -1.03 -2.10 116.97 118.59 2aiz h TYR 55 Ca 0.25 -0.49 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 2aiz h TYR 55 Cb 0.10 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2aiz h TYR 55 CO 0.01 1.32 0.17 1.25 -1.64 0.00 0.00 178.16 179.27 2aiz h LEU 56 N 0.52 0.79 -0.44 2.82 5.85 0.60 -2.86 115.31 122.59 2aiz h LEU 56 Ca -0.06 -0.20 -0.15 0.00 0.84 0.00 0.00 57.88 58.30 2aiz h LEU 56 Cb 1.44 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2aiz h LEU 56 CO 0.17 0.78 -0.32 -1.13 -0.34 0.00 0.00 178.44 177.60 2aiz h ASN 57 N 0.75 1.01 -0.20 1.25 -0.73 -1.01 -2.88 115.58 113.77 2aiz h ASN 57 Ca 0.18 -0.43 0.06 0.00 1.87 0.00 0.00 56.30 57.97 2aiz h ASN 57 Cb 0.27 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 2aiz h ASN 57 CO -0.01 1.23 0.21 0.00 -0.37 0.00 0.00 177.43 178.49 2aiz h ALA 58 N 0.82 1.84 -3.23 1.57 0.00 -1.18 -3.37 119.26 115.72 2aiz h ALA 58 Ca 0.08 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.31 2aiz h ALA 58 Cb 0.91 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.41 2aiz h ALA 58 CO 0.08 -0.31 -0.69 0.95 0.00 0.00 0.00 179.25 179.29 2aiz s THR 59 N -4.66 3.32 0.17 0.00 -4.23 -1.09 -5.01 115.64 104.14 2aiz s THR 59 Ca -0.05 -1.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.32 2aiz s THR 59 Cb 0.15 -2.75 0.06 0.00 1.34 0.00 0.00 72.50 71.30 2aiz s THR 59 CO 0.56 0.07 1.76 -0.65 -0.54 0.00 0.00 174.62 175.82 2aiz h PRO 60 N 8.10 0.35 -0.65 3.99 0.11 -1.79 -2.18 132.00 139.92 2aiz h PRO 60 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2aiz h PRO 60 Cb 1.10 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2aiz h PRO 60 CO 0.58 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 2aiz n ALA 61 N -2.36 3.03 -2.61 -0.75 0.00 -1.26 -4.86 120.51 111.70 2aiz n ALA 61 Ca 0.03 -0.99 -0.41 0.00 0.00 0.00 0.00 53.44 52.07 2aiz n ALA 61 Cb 0.15 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.83 3.57 -0.06 0.00 0.00 -0.82 -5.05 121.76 117.56 2aiz s ALA 62 Ca 0.31 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.74 2aiz s ALA 62 Cb 0.21 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 2aiz s ALA 62 CO 0.12 -0.92 -0.25 -1.59 0.00 0.00 0.00 175.76 173.13 2aiz s LYS 63 N 2.50 2.62 -0.13 0.00 -2.85 -1.26 -4.80 119.74 115.81 2aiz s LYS 63 Ca 0.24 -0.89 -0.11 0.00 -1.00 0.00 0.00 55.97 54.20 2aiz s LYS 63 Cb -0.15 -2.17 -0.05 0.00 -2.06 0.00 0.00 37.83 33.40 2aiz s LYS 63 CO 0.10 0.34 0.24 0.54 0.10 0.00 0.00 175.35 176.68 2aiz s VAL 64 N -0.07 5.33 -0.41 1.79 0.11 0.24 -4.80 120.40 122.59 2aiz s VAL 64 Ca -0.06 0.44 -0.06 0.00 -2.93 0.00 0.00 61.98 59.36 2aiz s VAL 64 Cb -0.14 -3.55 0.09 0.00 -1.53 0.00 0.00 36.38 31.24 2aiz s VAL 64 CO 0.05 0.49 0.22 -0.22 -3.33 0.00 0.00 175.10 172.31 2aiz s LEU 65 N -0.21 5.11 -0.23 2.54 0.20 0.52 -0.26 118.68 126.36 2aiz s LEU 65 Ca 0.16 -1.69 -0.29 0.00 0.69 0.00 0.00 54.13 53.00 2aiz s LEU 65 Cb -0.13 -1.91 0.01 0.00 -0.43 0.00 0.00 46.19 43.73 2aiz s LEU 65 CO 0.04 -0.53 1.05 -0.69 -0.29 0.00 0.00 176.35 175.93 2aiz s VAL 66 N 1.31 4.66 -0.29 1.68 1.01 0.27 0.14 120.40 129.19 2aiz s VAL 66 Ca 0.04 2.01 -0.09 0.00 0.00 0.00 0.00 61.98 63.93 2aiz s VAL 66 Cb -0.23 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 2aiz s VAL 66 CO -0.01 -0.18 0.14 -1.61 0.00 0.00 0.00 175.10 173.45 2aiz s GLU 67 N 3.20 3.55 -0.09 2.72 2.02 -0.82 -1.50 118.70 127.78 2aiz s GLU 67 Ca 0.45 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.82 2aiz s GLU 67 Cb -0.15 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 2aiz s GLU 67 CO 0.07 -0.31 0.08 0.20 0.02 0.00 0.00 175.26 175.31 2aiz s GLY 68 N 1.65 2.02 -0.29 -1.39 0.00 -0.10 0.32 107.32 109.53 2aiz s GLY 68 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.05 2aiz s GLY 68 CO 0.07 -0.51 0.53 -1.31 0.00 0.00 0.00 173.10 171.87 2aiz s ASN 69 N -1.09 -0.90 0.12 1.64 0.01 -0.74 -2.06 114.94 111.92 2aiz s ASN 69 Ca 0.16 0.32 0.02 0.00 -0.71 0.00 0.00 52.86 52.64 2aiz s ASN 69 Cb -0.12 1.77 0.02 0.00 0.41 0.00 0.00 41.25 43.33 2aiz s ASN 69 CO 0.05 -0.30 0.15 0.35 -1.51 0.00 0.00 177.10 175.85 2aiz n THR 70 N 5.40 0.00 -1.89 1.60 -2.24 -1.25 -2.04 114.28 113.85 2aiz n THR 70 Ca 0.01 -0.42 -0.39 0.00 -2.27 0.00 0.00 64.05 60.98 2aiz n THR 70 Cb 0.52 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.75 5.87 0.46 3.42 -4.77 -1.26 -4.74 116.67 113.91 2aiz s ASP 71 Ca 0.12 2.77 0.16 0.00 -3.30 0.00 0.00 52.55 52.30 2aiz s ASP 71 Cb -0.01 -2.64 1.08 0.00 -1.09 0.00 0.00 42.92 40.26 2aiz s ASP 71 CO 0.07 -1.16 2.02 1.05 0.70 0.00 0.00 175.17 177.85 2aiz h GLU 72 N 2.20 0.00 -6.03 2.11 -0.00 -1.94 -3.44 114.58 107.49 2aiz h GLU 72 Ca -0.50 0.00 -0.85 0.00 -0.00 0.00 0.00 59.36 58.01 2aiz h GLU 72 Cb 1.27 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.03 2aiz h GLU 72 CO 0.61 0.16 0.76 -2.13 -0.00 0.00 0.00 179.01 178.41 2aiz n ARG 73 N -4.26 0.23 0.00 1.06 0.00 -1.26 -4.03 116.66 108.41 2aiz n ARG 73 Ca -0.02 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2aiz n ARG 73 Cb 0.23 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.07 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 4.18 0.94 3.58 5.14 0.00 -1.26 -4.88 105.19 112.89 2aiz n GLY 74 Ca 0.31 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.30 2.61 -4.23 -1.26 -5.01 115.64 108.05 2aiz s THR 75 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2aiz s THR 75 Cb 0.00 -1.00 0.38 0.00 1.34 0.00 0.00 72.50 73.22 2aiz s THR 75 CO 0.00 0.00 1.59 -0.65 -0.54 0.00 0.00 174.62 175.02 2aiz h PRO 76 N 3.04 0.05 -0.76 3.99 0.11 -1.93 0.69 132.00 137.19 2aiz h PRO 76 Ca -0.22 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.89 2aiz h PRO 76 Cb 1.16 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2aiz h PRO 76 CO 0.27 0.03 0.50 0.93 -0.21 0.00 0.00 178.00 179.52 2aiz h GLU 77 N 0.05 1.00 -0.11 1.05 4.39 -1.97 1.33 114.58 120.32 2aiz h GLU 77 Ca 0.59 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 60.16 2aiz h GLU 77 Cb 1.23 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2aiz h GLU 77 CO -0.85 0.67 -0.20 -0.92 -1.16 0.00 0.00 179.01 176.55 2aiz h TYR 78 N 1.03 0.40 0.00 4.33 5.03 -0.40 -2.65 116.97 124.71 2aiz h TYR 78 Ca 0.28 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.44 2aiz h TYR 78 Cb -0.11 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.10 2aiz h TYR 78 CO -0.02 0.81 0.00 0.09 -1.32 0.00 0.00 178.16 177.72 2aiz n ASN 79 N -4.53 0.00 -0.16 -2.11 4.13 0.19 -1.81 115.26 110.97 2aiz n ASN 79 Ca -0.07 0.54 0.11 0.00 1.68 0.00 0.00 54.58 56.84 2aiz n ASN 79 Cb 0.41 -0.23 0.21 0.00 -1.54 0.00 0.00 39.78 38.63 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 -1.18 -0.20 0.38 2.41 3.06 0.45 0.14 119.36 124.41 2aiz n ILE 80 Ca 0.00 1.03 -0.15 0.00 -2.50 0.00 0.00 62.75 61.12 2aiz n ILE 80 Cb 0.00 -1.58 -0.07 0.00 0.54 0.00 0.00 39.64 38.53 2aiz n ILE 80 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2aiz h ALA 81 N 0.97 -0.99 -0.78 1.51 0.00 -1.50 0.89 119.26 119.38 2aiz h ALA 81 Ca 0.35 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.21 2aiz h ALA 81 Cb 0.84 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2aiz h ALA 81 CO -0.42 -0.92 0.27 -0.07 0.00 0.00 0.00 179.25 178.11 2aiz h LEU 82 N -1.25 0.18 0.23 0.00 -0.00 0.20 -1.35 115.31 113.31 2aiz h LEU 82 Ca -0.10 0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2aiz h LEU 82 Cb 0.76 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2aiz h LEU 82 CO 0.17 0.02 -0.11 1.23 -0.00 0.00 0.00 178.44 179.75 2aiz h GLY 83 N 0.36 -0.32 -0.61 0.83 0.00 -0.55 -2.60 103.07 100.18 2aiz h GLY 83 Ca 0.45 0.12 0.35 0.00 0.00 0.00 0.00 47.33 48.24 2aiz h GLY 83 CO -0.48 -0.12 0.74 -1.61 0.00 0.00 0.00 176.54 175.08 2aiz h GLN 84 N -0.88 0.24 0.10 4.80 -0.00 0.11 0.54 115.11 120.01 2aiz h GLN 84 Ca -0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2aiz h GLN 84 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.93 2aiz h GLN 84 CO 0.05 0.16 -0.05 0.00 0.00 0.00 0.00 178.83 178.99 2aiz h ARG 85 N 0.24 -0.13 -1.00 1.69 3.08 -1.26 -0.06 114.38 116.95 2aiz h ARG 85 Ca 0.71 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.92 2aiz h ARG 85 Cb 2.01 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 31.99 2aiz h ARG 85 CO -0.38 0.31 0.62 0.00 -1.07 0.00 0.00 179.97 179.45 2aiz h ARG 86 N -0.61 0.84 -0.51 0.04 3.08 -0.09 0.94 114.38 118.06 2aiz h ARG 86 Ca -0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2aiz h ARG 86 Cb 0.49 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2aiz h ARG 86 CO 0.02 0.55 0.25 0.00 -1.07 0.00 0.00 179.97 179.73 2aiz h ALA 87 N 1.60 1.49 0.00 0.04 0.00 0.06 0.98 119.26 123.43 2aiz h ALA 87 Ca 0.54 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2aiz h ALA 87 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2aiz h ALA 87 CO -0.32 0.41 -0.23 -0.44 0.00 0.00 0.00 179.25 178.67 2aiz h ASP 88 N 0.71 0.00 0.15 0.00 3.32 0.28 0.93 116.42 121.82 2aiz h ASP 88 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2aiz h ASP 88 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2aiz h ASP 88 CO -0.03 0.23 -0.07 0.00 -1.72 0.00 0.00 179.24 177.65 2aiz h ALA 89 N 1.77 -0.20 -0.30 3.45 0.00 0.81 -0.46 119.26 124.32 2aiz h ALA 89 Ca -0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2aiz h ALA 89 Cb 0.43 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2aiz h ALA 89 CO 0.03 -0.48 -0.50 0.28 0.00 0.00 0.00 179.25 178.59 2aiz h VAL 90 N -0.47 1.28 -0.74 0.00 2.07 -1.23 -1.74 116.25 115.43 2aiz h VAL 90 Ca -0.02 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 2aiz h VAL 90 Cb 0.37 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2aiz h VAL 90 CO 0.03 0.55 0.45 0.07 0.02 0.00 0.00 177.57 178.69 2aiz h LYS 91 N 0.65 1.00 0.00 1.57 5.09 -0.82 -1.25 116.57 122.81 2aiz h LYS 91 Ca 0.03 -0.09 -0.06 0.00 0.09 0.00 0.00 60.65 60.62 2aiz h LYS 91 Cb 1.08 -0.21 -0.01 0.00 0.10 0.00 0.00 32.23 33.19 2aiz h LYS 91 CO 0.11 0.71 -0.30 0.78 -2.09 0.00 0.00 179.45 178.66 2aiz h GLY 92 N 1.01 0.00 0.84 0.07 0.00 -1.02 -2.17 103.07 101.80 2aiz h GLY 92 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 2aiz h GLY 92 CO -0.05 0.00 -0.41 -1.82 0.00 0.00 0.00 176.54 174.26 2aiz h TYR 93 N 0.00 -1.05 -0.24 5.60 5.03 -0.30 0.16 116.97 126.17 2aiz h TYR 93 Ca -0.00 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.33 2aiz h TYR 93 Cb 0.82 0.35 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 2aiz h TYR 93 CO 0.00 -0.65 0.17 -0.07 -1.32 0.00 0.00 178.16 176.29 2aiz h LEU 94 N -1.19 0.09 -0.75 2.82 3.38 -1.43 -0.03 115.31 118.20 2aiz h LEU 94 Ca -0.12 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2aiz h LEU 94 Cb 0.87 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2aiz h LEU 94 CO 0.19 0.06 0.26 0.00 0.09 0.00 0.00 178.44 179.04 2aiz h ALA 95 N 1.87 0.98 0.00 1.53 0.00 -0.89 -1.12 119.26 121.64 2aiz h ALA 95 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2aiz h ALA 95 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2aiz h ALA 95 CO -0.01 0.65 -0.24 0.78 0.00 0.00 0.00 179.25 180.43 2aiz h GLY 96 N 1.11 0.00 1.94 0.00 0.00 0.13 -2.20 103.07 104.05 2aiz h GLY 96 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2aiz h GLY 96 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 2aiz n LYS 97 N -3.54 0.05 0.00 4.80 5.02 -0.81 -4.86 118.16 118.82 2aiz n LYS 97 Ca -0.01 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2aiz n LYS 97 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aiz n GLY 98 N 1.01 0.91 3.70 0.72 0.00 -0.83 -5.09 105.19 105.61 2aiz n GLY 98 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 4.26 0.53 1.61 1.01 -0.49 -5.00 120.40 120.32 2aiz s VAL 99 Ca 0.00 1.60 -0.22 0.00 0.00 0.00 0.00 61.98 63.36 2aiz s VAL 99 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2aiz s VAL 99 CO 0.00 0.05 1.31 -0.62 0.00 0.00 0.00 175.10 175.84 2aiz s ASP 100 N 1.29 5.46 0.29 3.32 2.15 -1.26 -4.06 116.67 123.86 2aiz s ASP 100 Ca 0.56 2.64 0.00 0.00 0.43 0.00 0.00 52.55 56.19 2aiz s ASP 100 Cb -0.26 -2.63 0.45 0.00 -0.30 0.00 0.00 42.92 40.19 2aiz s ASP 100 CO 0.25 -1.43 1.83 0.00 -0.17 0.00 0.00 175.17 175.65 2aiz h ALA 101 N 1.56 1.24 -0.03 3.66 0.00 -1.94 -2.18 119.26 121.57 2aiz h ALA 101 Ca -0.51 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.20 2aiz h ALA 101 Cb 1.29 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2aiz h ALA 101 CO 0.58 0.51 0.08 0.78 0.00 0.00 0.00 179.25 181.20 2aiz h GLY 102 N 0.93 0.00 -0.11 0.00 0.00 -2.01 0.24 103.07 102.12 2aiz h GLY 102 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2aiz h GLY 102 CO 0.01 0.00 -0.41 0.28 0.00 0.00 0.00 176.54 176.41 2aiz n LYS 103 N -3.31 0.81 -3.74 4.80 5.02 -0.82 -4.91 118.16 116.01 2aiz n LYS 103 Ca -0.02 -0.57 -0.32 0.00 -2.02 0.00 0.00 58.31 55.38 2aiz n LYS 103 Cb 0.16 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.58 4.30 -0.12 -0.35 1.43 0.86 0.80 118.68 123.02 2aiz s LEU 104 Ca 0.20 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 2aiz s LEU 104 Cb 0.18 -3.14 0.03 0.00 0.03 0.00 0.00 46.19 43.30 2aiz s LEU 104 CO 0.58 0.11 0.34 -0.83 0.23 0.00 0.00 176.35 176.78 2aiz s GLY 105 N -2.33 -0.25 0.06 -3.19 0.00 0.64 -4.89 107.32 97.36 2aiz s GLY 105 Ca 0.38 0.91 0.02 0.00 0.00 0.00 0.00 44.72 46.02 2aiz s GLY 105 CO 0.24 0.77 -0.07 -0.51 0.00 0.00 0.00 173.10 173.53 2aiz s THR 106 N 0.03 0.56 0.23 0.90 -4.23 -1.26 0.96 115.64 112.84 2aiz s THR 106 Ca -0.01 -1.36 -0.22 0.00 -1.18 0.00 0.00 61.69 58.91 2aiz s THR 106 Cb -0.03 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.90 2aiz s THR 106 CO 0.01 -0.56 0.86 0.68 -0.54 0.00 0.00 174.62 175.07 2aiz s VAL 107 N -2.16 0.00 -0.28 2.29 -7.23 -0.56 -4.92 120.40 107.54 2aiz s VAL 107 Ca -0.03 -0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 59.15 2aiz s VAL 107 Cb -0.05 -2.17 0.09 0.00 0.56 0.00 0.00 36.38 34.82 2aiz s VAL 107 CO -0.02 0.00 0.76 -0.55 -0.31 0.00 0.00 175.10 174.98 2aiz s SER 108 N -2.99 -0.83 -0.19 4.85 0.15 -1.26 -0.93 113.70 112.51 2aiz s SER 108 Ca 0.13 1.36 0.15 0.00 0.70 0.00 0.00 55.95 58.29 2aiz s SER 108 Cb -0.04 1.35 0.42 0.00 -1.71 0.00 0.00 66.02 66.04 2aiz s SER 108 CO 0.05 -0.22 1.30 -1.22 1.20 0.00 0.00 173.24 174.36 2aiz n TYR 109 N 4.01 0.50 0.00 3.44 4.01 -0.87 -4.82 117.16 123.42 2aiz n TYR 109 Ca -0.19 -1.14 0.00 0.00 -0.16 0.00 0.00 57.90 56.41 2aiz n TYR 109 Cb 0.58 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 2aiz n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aiz n GLY 110 N -1.05 0.00 0.23 2.72 0.00 -1.26 0.00 105.19 105.84 2aiz n GLY 110 Ca 0.21 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.39 2aiz n GLY 110 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2aiz h GLU 111 N 0.00 0.00 0.00 1.61 5.08 -1.84 -3.34 114.58 116.09 2aiz h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aiz h GLU 111 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2aiz h GLU 111 CO 0.00 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.10 2aiz n GLU 112 N -2.86 0.00 -3.69 2.33 4.07 0.10 -4.27 120.64 116.33 2aiz n GLU 112 Ca 0.01 0.80 -0.29 0.00 -0.06 0.00 0.00 57.16 57.62 2aiz n GLU 112 Cb 0.31 -1.49 -0.13 0.00 -0.06 0.00 0.00 31.44 30.07 2aiz n GLU 112 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2aiz s LYS 113 N -2.95 1.23 0.82 5.31 -0.14 -0.67 -5.12 119.74 118.21 2aiz s LYS 113 Ca 0.00 -1.96 -0.13 0.00 -1.36 0.00 0.00 55.97 52.52 2aiz s LYS 113 Cb 0.00 -2.24 0.09 0.00 -1.68 0.00 0.00 37.83 34.00 2aiz s LYS 113 CO 0.00 -1.17 1.21 -2.30 -0.76 0.00 0.00 175.35 172.33 2aiz n PRO 114 N 3.56 0.12 0.00 -1.68 -0.02 -1.26 -4.90 135.00 130.83 2aiz n PRO 114 Ca 0.09 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2aiz n PRO 114 Cb 0.35 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 -3.39 0.00 -2.58 3.55 0.00 -1.26 -4.92 120.51 111.91 2aiz n ALA 115 Ca 0.13 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2aiz n ALA 115 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.53 4.79 0.30 0.00 1.01 -1.26 -5.03 120.40 119.68 2aiz s VAL 116 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 2aiz s VAL 116 Cb 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 2aiz s VAL 116 CO 0.00 -0.41 1.34 -0.76 0.00 0.00 0.00 175.10 175.27 2aiz s LEU 117 N 2.96 4.41 0.00 3.92 1.02 -1.26 -4.79 118.68 124.94 2aiz s LEU 117 Ca 0.29 2.67 0.00 0.00 0.02 0.00 0.00 54.13 57.10 2aiz s LEU 117 Cb -0.14 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.43 2aiz s LEU 117 CO 0.16 -0.58 0.00 0.61 0.02 0.00 0.00 176.35 176.56 2aiz n GLY 118 N 1.26 1.41 2.24 -3.19 0.00 -1.26 -4.90 105.19 100.74 2aiz n GLY 118 Ca 0.02 -2.26 -0.20 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.92 -0.37 -4.03 1.61 1.44 -1.26 -4.70 115.22 106.99 2aiz n HIS 119 Ca 0.00 -3.53 -0.11 0.00 -2.01 0.00 0.00 57.72 52.07 2aiz n HIS 119 Cb 0.00 -0.22 -0.11 0.00 0.12 0.00 0.00 29.99 29.78 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 -1.72 0.59 0.50 4.39 1.11 -1.26 -4.93 116.67 115.35 2aiz s ASP 120 Ca 0.36 -0.54 0.44 0.00 0.18 0.00 0.00 52.55 53.00 2aiz s ASP 120 Cb 0.25 0.07 1.58 0.00 1.07 0.00 0.00 42.92 45.89 2aiz s ASP 120 CO -0.10 -0.25 1.45 1.21 1.18 0.00 0.00 175.17 178.65 2aiz n GLU 121 N 1.48 -0.01 0.18 8.23 4.07 -1.26 0.11 120.64 133.45 2aiz n GLU 121 Ca -0.23 1.03 -0.08 0.00 -0.06 0.00 0.00 57.16 57.82 2aiz n GLU 121 Cb 0.55 -2.32 -0.04 0.00 -0.06 0.00 0.00 31.44 29.57 2aiz n GLU 121 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aiz h ALA 122 N 1.01 -0.53 -0.40 4.31 0.00 -1.98 -0.89 119.26 120.79 2aiz h ALA 122 Ca 0.87 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.56 2aiz h ALA 122 Cb 3.39 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 21.37 2aiz h ALA 122 CO -0.07 -0.49 -0.12 0.00 0.00 0.00 0.00 179.25 178.56 2aiz h ALA 123 N -1.10 0.55 -0.48 0.00 0.00 -1.05 -2.38 119.26 114.79 2aiz h ALA 123 Ca -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2aiz h ALA 123 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2aiz h ALA 123 CO 0.09 0.44 0.29 1.88 0.00 0.00 0.00 179.25 181.95 2aiz h TYR 124 N 0.59 0.62 -0.56 0.00 -1.99 0.71 -1.48 116.97 114.86 2aiz h TYR 124 Ca 0.10 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.79 2aiz h TYR 124 Cb 0.65 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.15 2aiz h TYR 124 CO 0.05 0.42 0.20 0.77 -0.00 0.00 0.00 178.16 179.60 2aiz h SER 125 N 0.64 0.76 0.69 3.88 0.02 -1.10 -1.22 113.55 117.22 2aiz h SER 125 Ca 0.17 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2aiz h SER 125 Cb -0.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2aiz h SER 125 CO -0.03 0.71 -0.23 0.11 -1.14 0.00 0.00 176.83 176.24 2aiz h LYS 126 N 0.81 0.00 0.09 3.45 1.57 -0.94 -2.98 116.57 118.58 2aiz h LYS 126 Ca 0.19 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.69 2aiz h LYS 126 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2aiz h LYS 126 CO -0.01 0.23 -1.34 -0.91 -0.57 0.00 0.00 179.45 176.84 2aiz h ASN 127 N 0.00 0.29 -0.54 0.86 2.35 -0.22 -3.42 115.58 114.90 2aiz h ASN 127 Ca -0.00 -0.36 -0.32 0.00 -0.55 0.00 0.00 56.30 55.07 2aiz h ASN 127 Cb 0.64 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 2aiz h ASN 127 CO 0.03 1.29 0.96 -0.13 -1.65 0.00 0.00 177.43 177.93 2aiz s ARG 128 N -2.65 2.50 -0.08 0.81 0.52 -0.57 -3.91 118.95 115.57 2aiz s ARG 128 Ca -0.05 -0.89 -0.27 0.00 -0.52 0.00 0.00 55.73 54.00 2aiz s ARG 128 Cb 0.08 -5.19 0.06 0.00 0.52 0.00 0.00 34.95 30.42 2aiz s ARG 128 CO 0.85 -3.82 0.62 -0.98 0.02 0.00 0.00 175.30 171.99 2aiz s ARG 129 N 6.66 0.95 -0.26 3.54 1.70 -0.87 -0.46 118.95 130.21 2aiz s ARG 129 Ca 0.69 0.30 0.03 0.00 -0.47 0.00 0.00 55.73 56.28 2aiz s ARG 129 Cb -0.03 0.45 0.06 0.00 -0.57 0.00 0.00 34.95 34.86 2aiz s ARG 129 CO 0.09 -0.27 -0.09 0.00 -1.08 0.00 0.00 175.30 173.96 2aiz s ALA 130 N -0.95 2.47 -0.34 7.88 0.00 -0.83 -1.79 121.76 128.21 2aiz s ALA 130 Ca -0.10 -1.74 -0.23 0.00 0.00 0.00 0.00 51.96 49.90 2aiz s ALA 130 Cb -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2aiz s ALA 130 CO 0.08 -1.23 0.76 0.08 0.00 0.00 0.00 175.76 175.44 2aiz s VAL 131 N 1.14 4.79 -0.45 0.00 1.01 0.15 -2.27 120.40 124.77 2aiz s VAL 131 Ca -0.07 0.95 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 2aiz s VAL 131 Cb -0.20 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 2aiz s VAL 131 CO -0.06 -0.33 2.39 0.18 0.00 0.00 0.00 175.10 177.28 2aiz n LEU 132 N 6.26 2.43 -4.67 3.92 7.99 0.38 -1.94 117.00 131.38 2aiz n LEU 132 Ca 0.02 -0.34 -0.36 0.00 -0.01 0.00 0.00 56.01 55.32 2aiz n LEU 132 Cb 0.48 -1.56 -0.09 0.00 -0.11 0.00 0.00 43.42 42.14 2aiz n LEU 132 CO 0.51 -1.37 -0.19 0.00 -1.51 0.00 0.00 177.39 174.83 2aiz s ALA 133 N 11.34 3.59 -2.54 -1.18 0.00 0.37 -4.89 121.76 128.45 2aiz s ALA 133 Ca 1.00 -0.82 0.28 0.00 0.00 0.00 0.00 51.96 52.42 2aiz s ALA 133 Cb -0.25 -2.21 0.97 0.00 0.00 0.00 0.00 23.12 21.64 2aiz s ALA 133 CO 0.29 -0.04 1.70 0.66 0.00 0.00 0.00 175.76 178.37