#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 -0.23 -0.52 0.00 0.15 -1.26 -5.03 113.70 106.80 2aiz s SER 2 Ca 0.00 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.06 2aiz s SER 2 Cb 0.00 0.84 0.52 0.00 -1.71 0.00 0.00 66.02 65.67 2aiz s SER 2 CO 0.00 -0.06 1.95 -1.54 1.20 0.00 0.00 173.24 174.78 2aiz n SER 3 N 2.78 5.63 0.21 5.45 3.41 -1.26 -4.45 113.62 125.39 2aiz n SER 3 Ca -0.15 -3.60 0.09 0.00 -0.26 0.00 0.00 58.87 54.95 2aiz n SER 3 Cb 0.57 -0.90 0.33 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.43 0.00 -3.18 4.04 0.87 -2.11 -3.43 113.55 111.17 2aiz h SER 4 Ca 0.58 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 60.47 2aiz h SER 4 Cb 1.78 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.61 2aiz h SER 4 CO 1.26 0.24 -0.59 0.54 -0.53 0.00 0.00 176.83 177.75 2aiz s ASN 5 N -6.22 5.49 0.10 6.23 4.22 -1.26 -5.11 114.94 118.39 2aiz s ASN 5 Ca 0.02 0.20 0.06 0.00 -2.14 0.00 0.00 52.86 51.00 2aiz s ASN 5 Cb 0.09 -1.64 -0.04 0.00 1.28 0.00 0.00 41.25 40.94 2aiz s ASN 5 CO 0.66 0.37 -0.04 0.20 -2.04 0.00 0.00 177.10 176.25 2aiz s ASN 6 N -0.81 4.79 0.04 3.54 0.01 -1.26 -5.04 114.94 116.22 2aiz s ASN 6 Ca 0.13 -0.26 -0.17 0.00 -0.71 0.00 0.00 52.86 51.85 2aiz s ASN 6 Cb -0.12 -1.06 -0.22 0.00 0.41 0.00 0.00 41.25 40.26 2aiz s ASN 6 CO 0.03 0.17 1.16 -2.24 -1.51 0.00 0.00 177.10 174.71 2aiz h ASP 7 N 3.49 0.72 0.00 -1.22 3.04 -2.00 -3.46 116.42 116.99 2aiz h ASP 7 Ca -0.48 -0.73 0.00 0.00 -3.24 0.00 0.00 57.03 52.58 2aiz h ASP 7 Cb 1.17 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 39.24 2aiz h ASP 7 CO 0.57 1.35 0.00 0.00 -2.04 0.00 0.00 179.24 179.12 2aiz n ALA 8 N -2.61 0.00 -2.14 4.15 0.00 -1.26 -4.77 120.51 113.88 2aiz n ALA 8 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2aiz n ALA 8 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 2aiz n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz s ALA 9 N -0.64 3.61 0.00 0.00 0.00 -1.26 -4.95 121.76 118.52 2aiz s ALA 9 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2aiz s ALA 9 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2aiz s ALA 9 CO 0.00 -0.99 0.86 0.41 0.00 0.00 0.00 175.76 176.04 2aiz n GLY 10 N 3.76 -3.05 2.48 0.00 0.00 -1.26 -4.85 105.19 102.27 2aiz n GLY 10 Ca 0.14 0.43 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.16 -5.54 0.32 1.61 3.02 -1.26 -4.85 115.26 106.40 2aiz n ASN 11 Ca 0.00 -0.07 0.21 0.00 -0.03 0.00 0.00 54.58 54.69 2aiz n ASN 11 Cb 0.00 -4.55 1.12 0.00 -0.61 0.00 0.00 39.78 35.74 2aiz n ASN 11 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2aiz h GLY 12 N -0.27 0.00 0.88 7.41 0.00 -2.03 -2.05 103.07 107.02 2aiz h GLY 12 Ca -0.46 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.02 2aiz h GLY 12 CO 0.53 0.00 0.41 0.00 0.00 0.00 0.00 176.54 177.48 2aiz h ALA 13 N 1.93 2.43 -2.14 3.60 0.00 -2.02 -3.35 119.26 119.71 2aiz h ALA 13 Ca 0.00 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.21 2aiz h ALA 13 Cb 0.08 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.73 2aiz h ALA 13 CO -0.00 -0.68 0.03 0.00 0.00 0.00 0.00 179.25 178.59 2aiz s ALA 14 N -4.91 3.39 -0.27 0.00 0.00 -0.77 -4.99 121.76 114.20 2aiz s ALA 14 Ca -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2aiz s ALA 14 Cb 0.19 -3.31 0.15 0.00 0.00 0.00 0.00 23.12 20.15 2aiz s ALA 14 CO 0.69 -1.92 0.39 -0.65 0.00 0.00 0.00 175.76 174.27 2aiz s GLN 15 N 2.59 0.38 -0.19 0.00 -0.21 -1.26 -5.07 119.66 115.91 2aiz s GLN 15 Ca 0.16 0.26 -0.03 0.00 0.02 0.00 0.00 55.36 55.77 2aiz s GLN 15 Cb -0.18 -0.40 -0.01 0.00 1.00 0.00 0.00 33.01 33.42 2aiz s GLN 15 CO 0.13 -0.89 -0.07 -0.08 -2.12 0.00 0.00 175.29 172.26 2aiz s THR 16 N 2.53 3.30 -0.50 -0.19 -1.32 -1.26 -4.04 115.64 114.16 2aiz s THR 16 Ca 0.11 -0.54 -0.21 0.00 -1.21 0.00 0.00 61.69 59.84 2aiz s THR 16 Cb -0.14 -2.46 0.04 0.00 -1.51 0.00 0.00 72.50 68.43 2aiz s THR 16 CO -0.25 0.46 0.73 -0.36 -2.21 0.00 0.00 174.62 172.99 2aiz s PHE 17 N 1.07 2.98 -0.12 9.09 0.40 -0.81 -4.20 117.98 126.37 2aiz s PHE 17 Ca 0.01 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2aiz s PHE 17 Cb -0.15 -3.65 0.00 0.00 0.51 0.00 0.00 43.02 39.73 2aiz s PHE 17 CO -0.01 -1.08 0.00 0.41 0.70 0.00 0.00 175.22 175.24 2aiz n GLY 18 N 5.11 0.18 0.00 4.36 0.00 -1.26 -2.56 105.19 111.02 2aiz n GLY 18 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.34 2.95 2.97 -0.02 0.00 -1.26 -4.77 105.19 105.40 2aiz n GLY 19 Ca -0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.11 0.98 0.71 1.61 2.02 -1.06 -4.94 117.35 116.57 2aiz s TYR 20 Ca 0.00 -0.28 -0.16 0.00 -0.37 0.00 0.00 57.07 56.25 2aiz s TYR 20 Cb 0.00 -0.75 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 2aiz s TYR 20 CO 0.00 -0.16 1.26 -1.54 -1.57 0.00 0.00 175.55 173.54 2aiz s SER 21 N 0.50 4.17 0.34 2.29 1.04 -1.26 -1.92 113.70 118.86 2aiz s SER 21 Ca -0.08 2.54 0.15 0.00 0.48 0.00 0.00 55.95 59.03 2aiz s SER 21 Cb -0.12 -2.61 1.11 0.00 0.10 0.00 0.00 66.02 64.50 2aiz s SER 21 CO 0.01 -2.29 1.65 0.58 0.98 0.00 0.00 173.24 174.17 2aiz h VAL 22 N -0.04 0.27 0.00 5.02 2.07 -1.93 0.83 116.25 122.47 2aiz h VAL 22 Ca -0.49 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2aiz h VAL 22 Cb 1.32 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2aiz h VAL 22 CO 0.50 0.05 0.00 0.00 0.02 0.00 0.00 177.57 178.15 2aiz n ALA 23 N -2.29 1.10 -0.10 1.67 0.00 -1.26 -1.83 120.51 117.80 2aiz n ALA 23 Ca 0.32 0.19 -0.20 0.00 0.00 0.00 0.00 53.44 53.76 2aiz n ALA 23 Cb 1.01 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 2aiz n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aiz n ASP 24 N -2.26 2.01 0.32 0.00 9.92 0.28 -3.83 116.55 122.99 2aiz n ASP 24 Ca -0.01 -0.01 0.22 0.00 -0.53 0.00 0.00 54.79 54.46 2aiz n ASP 24 Cb 0.05 -0.56 1.11 0.00 -0.64 0.00 0.00 41.12 41.08 2aiz n ASP 24 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2aiz h LEU 25 N -0.09 0.00 0.00 0.64 3.38 -0.94 0.93 115.31 119.24 2aiz h LEU 25 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2aiz h LEU 25 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2aiz h LEU 25 CO -0.08 0.00 -1.36 0.00 0.09 0.00 0.00 178.44 177.09 2aiz n GLN 26 N -3.05 0.30 0.00 1.13 6.02 -0.76 -4.11 117.38 116.91 2aiz n GLN 26 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2aiz n GLN 26 Cb 0.11 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.84 2aiz n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aiz n GLN 27 N -1.88 3.76 -0.01 -1.09 10.64 -0.83 -4.96 117.38 123.01 2aiz n GLN 27 Ca 0.01 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.17 2aiz n GLN 27 Cb 0.44 -0.55 -0.00 0.00 -0.86 0.00 0.00 30.24 29.27 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2aiz n ARG 28 N -0.42 0.07 -3.49 2.61 1.74 0.32 -4.89 116.66 112.59 2aiz n ARG 28 Ca 0.00 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 2aiz n ARG 28 Cb 0.00 -0.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.94 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2aiz s TYR 29 N -1.32 4.01 -0.00 -1.55 2.02 -0.81 -4.67 117.35 115.03 2aiz s TYR 29 Ca -0.04 -2.77 0.00 0.00 -0.37 0.00 0.00 57.07 53.89 2aiz s TYR 29 Cb 0.01 -3.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.03 2aiz s TYR 29 CO 0.05 -0.86 0.53 -1.71 -1.57 0.00 0.00 175.55 172.00 2aiz n ASN 30 N 2.71 0.08 -3.96 2.29 5.15 -1.26 -4.59 115.26 115.69 2aiz n ASN 30 Ca 0.21 -1.06 -0.18 0.00 -0.60 0.00 0.00 54.58 52.96 2aiz n ASN 30 Cb 0.39 -0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.49 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2aiz s THR 31 N -0.04 0.52 0.08 -0.44 2.01 -1.26 0.13 115.64 116.63 2aiz s THR 31 Ca 0.00 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.80 2aiz s THR 31 Cb 0.00 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 2aiz s THR 31 CO 0.00 0.17 0.04 -0.69 -0.69 0.00 0.00 174.62 173.45 2aiz s VAL 32 N 0.14 4.31 -0.26 3.82 1.01 -1.00 -4.95 120.40 123.47 2aiz s VAL 32 Ca -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2aiz s VAL 32 Cb -0.06 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2aiz s VAL 32 CO -0.00 0.14 -0.03 -0.31 0.00 0.00 0.00 175.10 174.90 2aiz s TYR 33 N -1.34 3.08 0.40 5.22 1.51 -1.26 -2.07 117.35 122.88 2aiz s TYR 33 Ca 0.27 -1.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.04 2aiz s TYR 33 Cb -0.12 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 2aiz s TYR 33 CO 0.20 -0.68 0.42 -0.06 -1.11 0.00 0.00 175.55 174.31 2aiz s PHE 34 N 1.38 2.79 0.55 2.71 0.40 -0.62 -4.79 117.98 120.40 2aiz s PHE 34 Ca 0.01 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 2aiz s PHE 34 Cb -0.17 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.25 2aiz s PHE 34 CO -0.03 -0.14 0.29 0.20 0.70 0.00 0.00 175.22 176.24 2aiz s GLY 35 N -4.16 2.62 0.33 4.36 0.00 -1.26 -4.66 107.32 104.54 2aiz s GLY 35 Ca 0.48 -0.82 -0.29 0.00 0.00 0.00 0.00 44.72 44.10 2aiz s GLY 35 CO 0.29 -2.04 1.52 -0.12 0.00 0.00 0.00 173.10 172.75 2aiz s PHE 36 N -2.84 2.73 -0.65 1.90 5.36 -1.26 -2.08 117.98 121.14 2aiz s PHE 36 Ca 0.23 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 2aiz s PHE 36 Cb -0.02 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 2aiz s PHE 36 CO 0.14 -3.14 0.00 -3.47 -1.46 0.00 0.00 175.22 167.29 2aiz n ASP 37 N 1.38 -2.56 -4.57 6.13 -0.08 -1.26 -4.91 116.55 110.68 2aiz n ASP 37 Ca 0.04 0.29 -0.34 0.00 -1.51 0.00 0.00 54.79 53.28 2aiz n ASP 37 Cb 0.39 -2.30 -0.11 0.00 2.34 0.00 0.00 41.12 41.44 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2aiz s LYS 38 N -4.55 3.16 -0.37 -0.67 1.02 -0.88 -5.02 119.74 112.42 2aiz s LYS 38 Ca 0.00 -0.50 0.12 0.00 0.02 0.00 0.00 55.97 55.61 2aiz s LYS 38 Cb 0.00 -2.76 0.44 0.00 -0.52 0.00 0.00 37.83 34.99 2aiz s LYS 38 CO 0.00 0.51 1.03 2.48 -0.92 0.00 0.00 175.35 178.44 2aiz n TYR 39 N 2.71 2.18 -3.73 3.18 4.11 -1.26 -4.60 117.16 119.75 2aiz n TYR 39 Ca -0.18 -2.93 -0.14 0.00 -0.00 0.00 0.00 57.90 54.66 2aiz n TYR 39 Cb 0.53 -0.24 -0.08 0.00 -0.00 0.00 0.00 39.34 39.54 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 -3.32 -0.24 0.45 9.48 1.11 -1.26 -4.85 116.67 118.05 2aiz s ASP 40 Ca 0.37 0.13 0.00 0.00 0.18 0.00 0.00 52.55 53.23 2aiz s ASP 40 Cb 0.43 0.34 -0.01 0.00 1.07 0.00 0.00 42.92 44.76 2aiz s ASP 40 CO -0.06 -0.48 0.67 -0.63 1.18 0.00 0.00 175.17 175.85 2aiz s ILE 41 N -1.43 4.08 -0.00 0.77 1.09 -1.26 -4.84 121.20 119.60 2aiz s ILE 41 Ca -0.13 -0.46 0.02 0.00 -1.10 0.00 0.00 60.65 58.98 2aiz s ILE 41 Cb -0.04 -3.51 -0.03 0.00 -1.06 0.00 0.00 42.46 37.81 2aiz s ILE 41 CO 0.04 -0.36 -0.04 0.42 -0.10 0.00 0.00 174.94 174.90 2aiz s THR 42 N -2.56 3.88 0.56 2.92 -4.23 -1.26 -4.99 115.64 109.96 2aiz s THR 42 Ca 0.48 -0.68 0.43 0.00 -1.18 0.00 0.00 61.69 60.74 2aiz s THR 42 Cb -0.10 -2.70 0.63 0.00 1.34 0.00 0.00 72.50 71.67 2aiz s THR 42 CO 0.38 0.40 1.66 1.23 -0.54 0.00 0.00 174.62 177.75 2aiz h GLY 43 N 4.48 0.00 1.82 3.99 0.00 -1.99 0.71 103.07 112.08 2aiz h GLY 43 Ca -0.49 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2aiz h GLY 43 CO 0.55 0.00 -0.20 0.83 0.00 0.00 0.00 176.54 177.72 2aiz h GLU 44 N 0.00 0.22 -0.21 4.80 5.08 -2.02 -2.90 114.58 119.55 2aiz h GLU 44 Ca 0.74 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 2aiz h GLU 44 Cb 3.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.25 2aiz h GLU 44 CO -0.01 0.42 0.00 0.66 -1.00 0.00 0.00 179.01 179.08 2aiz n TYR 45 N -4.21 0.26 -0.06 4.33 4.01 0.24 -4.47 117.16 117.26 2aiz n TYR 45 Ca -0.01 -0.17 -0.11 0.00 -0.16 0.00 0.00 57.90 57.45 2aiz n TYR 45 Cb 0.32 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.36 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 3.59 1.29 -1.00 -0.72 2.07 -1.18 -3.17 116.25 117.13 2aiz h VAL 46 Ca 0.00 -1.64 0.29 0.00 0.82 0.00 0.00 66.70 66.16 2aiz h VAL 46 Cb 0.82 1.54 -0.14 0.00 -1.52 0.00 0.00 31.29 31.99 2aiz h VAL 46 CO 0.00 0.53 0.56 0.06 0.02 0.00 0.00 177.57 178.74 2aiz h GLN 47 N 0.62 0.40 0.23 1.57 3.07 -1.78 -0.00 115.11 119.22 2aiz h GLN 47 Ca 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 58.65 58.76 2aiz h GLN 47 Cb 1.02 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 28.46 2aiz h GLN 47 CO 0.10 0.27 -0.32 0.82 0.09 0.00 0.00 178.83 179.78 2aiz h ILE 48 N 0.42 0.32 -0.84 1.86 2.04 -1.87 0.14 117.51 119.58 2aiz h ILE 48 Ca 0.69 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.77 2aiz h ILE 48 Cb 1.47 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 2aiz h ILE 48 CO -0.56 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.10 2aiz h LEU 49 N -0.62 0.16 -0.13 1.44 -0.00 -1.16 0.72 115.31 115.72 2aiz h LEU 49 Ca 0.00 0.02 -0.24 0.00 -0.00 0.00 0.00 57.88 57.66 2aiz h LEU 49 Cb 0.60 -0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2aiz h LEU 49 CO -0.12 0.06 -0.90 0.44 -0.00 0.00 0.00 178.44 177.92 2aiz h ASP 50 N 0.16 0.82 -0.01 -0.43 3.32 -0.64 -0.86 116.42 118.76 2aiz h ASP 50 Ca 0.41 -0.60 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 2aiz h ASP 50 Cb 1.38 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.70 2aiz h ASP 50 CO -0.07 1.39 -0.40 0.00 -1.72 0.00 0.00 179.24 178.44 2aiz h ALA 51 N 0.58 0.07 -0.56 3.45 0.00 0.21 -2.41 119.26 120.59 2aiz h ALA 51 Ca -0.08 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 2aiz h ALA 51 Cb 1.53 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2aiz h ALA 51 CO 0.17 0.21 0.10 0.45 0.00 0.00 0.00 179.25 180.18 2aiz h HIS 52 N -0.28 0.94 -0.78 0.00 3.86 0.18 -2.23 115.15 116.83 2aiz h HIS 52 Ca -0.05 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 2aiz h HIS 52 Cb 1.12 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2aiz h HIS 52 CO 0.16 0.80 0.31 0.00 0.86 0.00 0.00 177.93 180.06 2aiz h ALA 53 N 1.25 1.07 -0.69 2.45 0.00 -1.19 0.83 119.26 123.00 2aiz h ALA 53 Ca 0.18 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2aiz h ALA 53 Cb 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2aiz h ALA 53 CO 0.01 0.66 0.25 0.00 0.00 0.00 0.00 179.25 180.16 2aiz h ALA 54 N 1.20 0.89 -0.00 0.00 0.00 -1.02 -1.10 119.26 119.23 2aiz h ALA 54 Ca 0.26 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 2aiz h ALA 54 Cb 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2aiz h ALA 54 CO -0.02 0.54 -0.98 -0.92 0.00 0.00 0.00 179.25 177.87 2aiz h TYR 55 N 0.99 0.80 -0.09 0.00 3.20 -0.97 -1.78 116.97 119.12 2aiz h TYR 55 Ca 0.23 -0.43 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 2aiz h TYR 55 Cb 0.25 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 2aiz h TYR 55 CO 0.02 1.26 0.06 1.25 -1.64 0.00 0.00 178.16 179.11 2aiz h LEU 56 N 0.31 0.11 -0.36 2.82 5.85 0.89 -2.41 115.31 122.52 2aiz h LEU 56 Ca -0.10 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.42 2aiz h LEU 56 Cb 1.62 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2aiz h LEU 56 CO 0.18 0.12 -0.41 -1.13 -0.34 0.00 0.00 178.44 176.86 2aiz h ASN 57 N 0.10 0.98 -0.40 1.25 -1.24 -1.29 -2.96 115.58 112.02 2aiz h ASN 57 Ca 0.03 -0.48 0.12 0.00 0.71 0.00 0.00 56.30 56.68 2aiz h ASN 57 Cb 0.02 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 2aiz h ASN 57 CO -0.01 1.26 0.36 0.00 -1.29 0.00 0.00 177.43 177.76 2aiz h ALA 58 N 0.75 2.18 -3.21 1.57 0.00 -1.13 -3.36 119.26 116.06 2aiz h ALA 58 Ca 0.05 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.27 2aiz h ALA 58 Cb 1.01 0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.52 2aiz h ALA 58 CO 0.10 -0.57 -0.72 0.95 0.00 0.00 0.00 179.25 179.01 2aiz s THR 59 N -4.77 3.12 0.11 0.00 -4.23 -0.93 -5.03 115.64 103.92 2aiz s THR 59 Ca -0.05 -0.93 -0.34 0.00 -1.18 0.00 0.00 61.69 59.19 2aiz s THR 59 Cb 0.17 -2.58 -0.13 0.00 1.34 0.00 0.00 72.50 71.29 2aiz s THR 59 CO 0.62 0.19 1.56 -0.65 -0.54 0.00 0.00 174.62 175.79 2aiz h PRO 60 N 8.06 -0.69 -0.85 3.99 0.11 -1.79 -2.26 132.00 138.58 2aiz h PRO 60 Ca -0.33 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 2aiz h PRO 60 Cb 1.11 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2aiz h PRO 60 CO 0.58 -0.46 0.01 0.00 -0.21 0.00 0.00 178.00 177.93 2aiz n ALA 61 N -2.94 3.05 -2.58 -0.75 0.00 -1.26 -4.84 120.51 111.19 2aiz n ALA 61 Ca -0.08 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 2aiz n ALA 61 Cb 0.40 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.64 3.44 -0.13 0.00 0.00 -0.85 -5.04 121.76 117.55 2aiz s ALA 62 Ca 0.20 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2aiz s ALA 62 Cb 0.16 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2aiz s ALA 62 CO 0.06 -1.43 -0.15 -1.59 0.00 0.00 0.00 175.76 172.65 2aiz s LYS 63 N 2.97 3.31 -0.20 0.00 -2.85 -1.26 -4.82 119.74 116.89 2aiz s LYS 63 Ca 0.29 -0.73 -0.15 0.00 -1.00 0.00 0.00 55.97 54.39 2aiz s LYS 63 Cb -0.14 -2.57 -0.04 0.00 -2.06 0.00 0.00 37.83 33.03 2aiz s LYS 63 CO 0.16 0.20 0.34 0.54 0.10 0.00 0.00 175.35 176.69 2aiz s VAL 64 N 0.38 5.25 -0.47 1.79 0.11 0.55 -4.82 120.40 123.18 2aiz s VAL 64 Ca -0.12 0.60 -0.16 0.00 -2.93 0.00 0.00 61.98 59.37 2aiz s VAL 64 Cb -0.16 -3.67 0.07 0.00 -1.53 0.00 0.00 36.38 31.08 2aiz s VAL 64 CO 0.06 0.30 0.41 -0.22 -3.33 0.00 0.00 175.10 172.32 2aiz s LEU 65 N 1.08 5.54 -0.23 2.54 0.20 0.44 -1.08 118.68 127.17 2aiz s LEU 65 Ca 0.17 -1.27 -0.27 0.00 0.69 0.00 0.00 54.13 53.45 2aiz s LEU 65 Cb -0.14 -2.20 0.00 0.00 -0.43 0.00 0.00 46.19 43.42 2aiz s LEU 65 CO 0.07 -0.65 0.95 -0.69 -0.29 0.00 0.00 176.35 175.73 2aiz s VAL 66 N 1.72 4.75 -0.29 1.68 1.01 0.30 0.16 120.40 129.73 2aiz s VAL 66 Ca 0.05 1.83 -0.08 0.00 0.00 0.00 0.00 61.98 63.78 2aiz s VAL 66 Cb -0.24 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 2aiz s VAL 66 CO 0.07 -0.13 0.10 -0.70 0.00 0.00 0.00 175.10 174.45 2aiz s GLU 67 N 3.01 3.28 0.17 2.72 2.12 -0.84 -1.16 118.70 127.99 2aiz s GLU 67 Ca 0.40 -0.74 -0.20 0.00 0.36 0.00 0.00 54.97 54.80 2aiz s GLU 67 Cb -0.15 -3.43 -0.08 0.00 0.26 0.00 0.00 34.13 30.73 2aiz s GLU 67 CO 0.07 -0.39 0.67 0.20 -0.54 0.00 0.00 175.26 175.27 2aiz s GLY 68 N 1.56 2.65 0.08 -1.50 0.00 0.24 0.68 107.32 111.03 2aiz s GLY 68 Ca 0.04 0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 2aiz s GLY 68 CO 0.04 0.50 0.04 -1.31 0.00 0.00 0.00 173.10 172.37 2aiz s ASN 69 N -1.47 0.37 0.05 1.64 0.01 0.33 -0.66 114.94 115.21 2aiz s ASN 69 Ca 0.38 -0.99 -0.08 0.00 -0.71 0.00 0.00 52.86 51.45 2aiz s ASN 69 Cb -0.18 0.25 0.03 0.00 0.41 0.00 0.00 41.25 41.76 2aiz s ASN 69 CO 0.21 -0.66 0.40 0.35 -1.51 0.00 0.00 177.10 175.88 2aiz n THR 70 N 0.02 0.00 -2.27 1.60 -2.24 -0.33 -2.34 114.28 108.72 2aiz n THR 70 Ca -0.12 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 2aiz n THR 70 Cb 0.62 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.93 6.07 0.39 3.42 1.47 -1.26 -4.58 116.67 120.25 2aiz s ASP 71 Ca 0.09 1.84 0.09 0.00 1.18 0.00 0.00 52.55 55.75 2aiz s ASP 71 Cb -0.01 -2.54 0.78 0.00 -0.34 0.00 0.00 42.92 40.81 2aiz s ASP 71 CO 0.02 -0.97 1.93 1.05 0.68 0.00 0.00 175.17 177.88 2aiz h GLU 72 N 0.92 0.31 -5.87 2.11 -0.00 -1.90 -3.35 114.58 106.81 2aiz h GLU 72 Ca -0.48 -0.06 -0.74 0.00 -0.00 0.00 0.00 59.36 58.08 2aiz h GLU 72 Cb 1.22 -0.05 -0.04 0.00 -0.00 0.00 0.00 28.75 29.88 2aiz h GLU 72 CO 0.58 0.39 1.33 -2.13 -0.00 0.00 0.00 179.01 179.18 2aiz n ARG 73 N -4.31 0.00 0.00 1.06 3.00 -1.26 -4.58 116.66 110.57 2aiz n ARG 73 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2aiz n ARG 73 Cb 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.21 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 7.35 0.94 3.89 5.14 0.00 -1.26 -4.90 105.19 116.35 2aiz n GLY 74 Ca 0.55 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.14 5.26 0.34 2.61 -4.23 -1.26 -4.87 115.64 112.35 2aiz s THR 75 Ca 0.00 0.10 0.12 0.00 -1.18 0.00 0.00 61.69 60.73 2aiz s THR 75 Cb 0.00 -3.60 0.36 0.00 1.34 0.00 0.00 72.50 70.61 2aiz s THR 75 CO 0.00 0.26 1.59 -0.65 -0.54 0.00 0.00 174.62 175.28 2aiz h PRO 76 N 3.58 0.06 -0.59 3.99 0.11 -1.92 0.64 132.00 137.88 2aiz h PRO 76 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2aiz h PRO 76 Cb 1.18 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2aiz h PRO 76 CO 0.69 0.04 0.33 0.93 -0.21 0.00 0.00 178.00 179.78 2aiz h GLU 77 N 0.06 0.82 -0.33 1.05 5.08 -1.97 1.26 114.58 120.55 2aiz h GLU 77 Ca 0.72 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.91 2aiz h GLU 77 Cb 1.73 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2aiz h GLU 77 CO -0.79 0.61 -0.12 -0.92 -1.00 0.00 0.00 179.01 176.79 2aiz h TYR 78 N 0.80 0.75 0.00 4.33 5.03 -0.28 -2.63 116.97 124.96 2aiz h TYR 78 Ca 0.21 -0.17 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2aiz h TYR 78 Cb 0.02 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.13 2aiz h TYR 78 CO -0.01 0.85 0.00 0.09 -1.32 0.00 0.00 178.16 177.77 2aiz n ASN 79 N -4.40 0.00 -0.17 -2.11 3.02 0.67 -1.94 115.26 110.33 2aiz n ASN 79 Ca -0.03 0.46 0.12 0.00 -0.03 0.00 0.00 54.58 55.10 2aiz n ASN 79 Cb 0.36 -0.20 0.22 0.00 -0.61 0.00 0.00 39.78 39.56 2aiz n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aiz n ILE 80 N -1.09 -0.22 0.20 2.41 0.13 0.43 0.13 119.36 121.35 2aiz n ILE 80 Ca 0.00 1.11 -0.13 0.00 -1.10 0.00 0.00 62.75 62.63 2aiz n ILE 80 Cb 0.00 -1.70 -0.07 0.00 -0.84 0.00 0.00 39.64 37.03 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 1.05 -0.55 -0.27 1.51 0.00 -1.54 1.04 119.26 120.49 2aiz h ALA 81 Ca 0.37 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2aiz h ALA 81 Cb 0.89 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2aiz h ALA 81 CO -0.45 -0.61 -0.39 1.25 0.00 0.00 0.00 179.25 179.04 2aiz h LEU 82 N -0.93 -1.26 -0.94 0.00 5.85 0.18 0.70 115.31 118.90 2aiz h LEU 82 Ca -0.06 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2aiz h LEU 82 Cb 0.55 0.54 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2aiz h LEU 82 CO 0.09 -0.38 0.42 1.23 -0.34 0.00 0.00 178.44 179.46 2aiz h GLY 83 N -0.38 1.25 -0.16 3.75 0.00 -0.81 -2.71 103.07 104.02 2aiz h GLY 83 Ca 0.12 -0.60 0.11 0.00 0.00 0.00 0.00 47.33 46.96 2aiz h GLY 83 CO -0.48 0.57 -0.19 1.46 0.00 0.00 0.00 176.54 177.90 2aiz h GLN 84 N 1.17 -0.06 -0.23 4.80 4.20 0.34 0.88 115.11 126.20 2aiz h GLN 84 Ca 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 2aiz h GLN 84 Cb 0.08 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2aiz h GLN 84 CO -0.04 -0.04 0.03 0.07 -0.67 0.00 0.00 178.83 178.18 2aiz h ARG 85 N -0.06 0.33 -0.05 1.46 0.11 -0.92 0.11 114.38 115.35 2aiz h ARG 85 Ca 0.25 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.28 2aiz h ARG 85 Cb 0.45 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 2aiz h ARG 85 CO -0.58 0.33 0.02 0.00 0.10 0.00 0.00 179.97 179.84 2aiz h ARG 86 N 0.33 0.08 -0.91 0.08 3.08 0.61 -1.26 114.38 116.39 2aiz h ARG 86 Ca 0.08 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.17 2aiz h ARG 86 Cb 0.17 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 2aiz h ARG 86 CO -0.00 0.22 0.59 0.00 -1.07 0.00 0.00 179.97 179.71 2aiz h ALA 87 N 0.85 1.47 0.00 0.04 0.00 0.14 0.16 119.26 121.92 2aiz h ALA 87 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2aiz h ALA 87 Cb 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2aiz h ALA 87 CO -0.00 0.41 -0.16 -0.44 0.00 0.00 0.00 179.25 179.06 2aiz h ASP 88 N 1.08 0.00 -0.47 0.00 5.19 -0.40 0.80 116.42 122.61 2aiz h ASP 88 Ca 0.38 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.73 2aiz h ASP 88 Cb 0.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 2aiz h ASP 88 CO -0.13 0.16 0.10 0.00 -3.12 0.00 0.00 179.24 176.25 2aiz h ALA 89 N 1.84 0.63 -0.02 3.45 0.00 0.50 0.11 119.26 125.76 2aiz h ALA 89 Ca -0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 2aiz h ALA 89 Cb 0.29 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2aiz h ALA 89 CO 0.02 0.34 -0.73 0.28 0.00 0.00 0.00 179.25 179.16 2aiz h VAL 90 N 0.65 1.37 -0.73 0.00 2.07 -1.01 -2.14 116.25 116.46 2aiz h VAL 90 Ca 0.15 -2.09 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 2aiz h VAL 90 Cb 0.36 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 2aiz h VAL 90 CO 0.01 0.63 0.28 0.07 0.02 0.00 0.00 177.57 178.57 2aiz h LYS 91 N 0.10 1.08 -0.03 1.57 5.09 -0.83 -2.19 116.57 121.36 2aiz h LYS 91 Ca -0.09 -0.19 -0.13 0.00 0.09 0.00 0.00 60.65 60.33 2aiz h LYS 91 Cb 1.41 -0.18 -0.01 0.00 0.10 0.00 0.00 32.23 33.55 2aiz h LYS 91 CO 0.14 0.88 -0.59 0.78 -2.09 0.00 0.00 179.45 178.58 2aiz h GLY 92 N 1.10 0.12 0.84 0.07 0.00 -0.84 -2.21 103.07 102.16 2aiz h GLY 92 Ca 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2aiz h GLY 92 CO -0.02 0.14 -0.36 -1.82 0.00 0.00 0.00 176.54 174.48 2aiz h TYR 93 N 0.08 -0.94 -0.27 5.60 5.03 -0.78 0.78 116.97 126.47 2aiz h TYR 93 Ca -0.01 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.36 2aiz h TYR 93 Cb 1.06 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 39.67 2aiz h TYR 93 CO 0.01 -0.54 0.19 -0.07 -1.32 0.00 0.00 178.16 176.43 2aiz h LEU 94 N -0.88 0.05 -0.46 2.82 3.38 -1.43 0.11 115.31 118.89 2aiz h LEU 94 Ca -0.07 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 2aiz h LEU 94 Cb 0.72 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2aiz h LEU 94 CO 0.07 0.03 -0.30 0.00 0.09 0.00 0.00 178.44 178.33 2aiz h ALA 95 N 1.86 0.65 -0.60 1.53 0.00 -0.51 -2.34 119.26 119.85 2aiz h ALA 95 Ca 0.13 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2aiz h ALA 95 Cb 0.44 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2aiz h ALA 95 CO -0.01 0.68 0.36 0.78 0.00 0.00 0.00 179.25 181.06 2aiz h GLY 96 N 0.84 0.87 1.48 0.00 0.00 0.31 -0.93 103.07 105.64 2aiz h GLY 96 Ca 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2aiz h GLY 96 CO 0.08 0.34 0.20 0.50 0.00 0.00 0.00 176.54 177.66 2aiz h LYS 97 N 0.83 0.67 0.00 4.80 1.57 -1.27 -3.46 116.57 119.71 2aiz h LYS 97 Ca 0.22 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2aiz h LYS 97 Cb -0.03 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2aiz h LYS 97 CO -0.04 0.55 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 2aiz n GLY 98 N -1.16 1.90 3.85 3.86 0.00 -0.35 -5.14 105.19 108.14 2aiz n GLY 98 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 4.89 0.90 1.61 1.01 -0.90 -5.03 120.40 120.99 2aiz s VAL 99 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.65 2aiz s VAL 99 Cb 0.00 -3.72 0.14 0.00 0.00 0.00 0.00 36.38 32.79 2aiz s VAL 99 CO 0.00 0.25 1.11 -0.62 0.00 0.00 0.00 175.10 175.84 2aiz s ASP 100 N -1.73 3.17 -0.07 3.32 2.15 -1.26 -4.44 116.67 117.81 2aiz s ASP 100 Ca 0.37 1.95 0.09 0.00 0.43 0.00 0.00 52.55 55.39 2aiz s ASP 100 Cb -0.15 -2.48 -0.24 0.00 -0.30 0.00 0.00 42.92 39.75 2aiz s ASP 100 CO 0.19 -2.90 0.55 0.00 -0.17 0.00 0.00 175.17 172.84 2aiz n ALA 101 N -4.09 1.36 0.22 3.66 0.00 -1.26 -3.92 120.51 116.48 2aiz n ALA 101 Ca 0.10 -0.77 0.18 0.00 0.00 0.00 0.00 53.44 52.95 2aiz n ALA 101 Cb 0.53 -0.76 0.84 0.00 0.00 0.00 0.00 19.45 20.06 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 3.00 0.00 -1.26 0.00 0.00 -2.01 0.46 103.07 103.26 2aiz h GLY 102 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2aiz h GLY 102 CO 0.08 0.00 -0.32 0.58 0.00 0.00 0.00 176.54 176.88 2aiz n LYS 103 N -3.52 1.56 -3.32 4.80 2.85 -1.26 -4.94 118.16 114.33 2aiz n LYS 103 Ca 0.02 -1.28 -0.33 0.00 -1.05 0.00 0.00 58.31 55.67 2aiz n LYS 103 Cb 0.38 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.23 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 -2.32 4.18 -0.11 -5.58 1.43 0.16 -0.33 118.68 116.10 2aiz s LEU 104 Ca 0.22 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.27 2aiz s LEU 104 Cb 0.19 -3.71 0.03 0.00 0.03 0.00 0.00 46.19 42.73 2aiz s LEU 104 CO 0.48 -0.07 0.31 -0.83 0.23 0.00 0.00 176.35 176.47 2aiz s GLY 105 N -2.20 -0.22 0.10 -3.19 0.00 -0.24 -4.90 107.32 96.67 2aiz s GLY 105 Ca 0.47 0.83 0.05 0.00 0.00 0.00 0.00 44.72 46.07 2aiz s GLY 105 CO 0.20 0.70 -0.13 -0.51 0.00 0.00 0.00 173.10 173.36 2aiz s THR 106 N 0.04 1.12 -0.30 0.90 -4.23 -1.26 0.11 115.64 112.02 2aiz s THR 106 Ca -0.01 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 2aiz s THR 106 Cb -0.02 -1.32 0.18 0.00 1.34 0.00 0.00 72.50 72.67 2aiz s THR 106 CO 0.01 -0.41 1.12 0.68 -0.54 0.00 0.00 174.62 175.48 2aiz s VAL 107 N -1.97 -0.29 -0.11 2.29 -7.23 -0.31 -4.90 120.40 107.88 2aiz s VAL 107 Ca 0.04 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.18 2aiz s VAL 107 Cb -0.06 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 2aiz s VAL 107 CO 0.02 0.00 0.03 -0.55 -0.31 0.00 0.00 175.10 174.28 2aiz s SER 108 N 2.43 5.42 -0.07 4.85 0.15 -1.26 0.80 113.70 126.01 2aiz s SER 108 Ca -0.01 0.16 0.11 0.00 0.70 0.00 0.00 55.95 56.90 2aiz s SER 108 Cb -0.05 -1.65 0.16 0.00 -1.71 0.00 0.00 66.02 62.77 2aiz s SER 108 CO -0.15 0.34 1.07 -1.22 1.20 0.00 0.00 173.24 174.47 2aiz n TYR 109 N 2.42 0.00 0.00 3.44 4.01 0.16 -4.85 117.16 122.34 2aiz n TYR 109 Ca -0.18 -0.74 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 2aiz n TYR 109 Cb 0.54 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.99 0.00 0.48 2.72 0.00 -1.25 -0.83 105.19 105.32 2aiz n GLY 110 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2aiz n GLY 110 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2aiz n GLU 111 N 0.00 1.65 0.28 1.61 -0.00 -1.26 -4.09 120.64 118.83 2aiz n GLU 111 Ca 0.00 -0.95 -0.18 0.00 -0.00 0.00 0.00 57.16 56.02 2aiz n GLU 111 Cb 0.00 -1.47 -0.10 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 2.25 -0.96 -2.28 3.44 4.57 -1.35 -3.39 114.58 116.86 2aiz h GLU 112 Ca 0.00 0.07 -0.49 0.00 -1.18 0.00 0.00 59.36 57.75 2aiz h GLU 112 Cb 0.48 0.22 -0.35 0.00 -0.16 0.00 0.00 28.75 28.93 2aiz h GLU 112 CO 0.00 -0.64 -0.80 0.21 -1.18 0.00 0.00 179.01 176.60 2aiz s LYS 113 N -5.87 0.63 1.14 1.92 2.47 -1.10 -5.13 119.74 113.81 2aiz s LYS 113 Ca -0.18 -1.24 -0.12 0.00 -1.56 0.00 0.00 55.97 52.87 2aiz s LYS 113 Cb 0.04 -1.07 0.27 0.00 -1.46 0.00 0.00 37.83 35.62 2aiz s LYS 113 CO 0.61 -1.23 1.04 -2.14 0.16 0.00 0.00 175.35 173.79 2aiz s PRO 114 N 1.08 -0.75 -0.07 4.03 0.02 -1.26 -4.94 135.00 133.11 2aiz s PRO 114 Ca 0.20 0.92 -0.06 0.00 0.02 0.00 0.00 61.00 62.07 2aiz s PRO 114 Cb -0.17 -1.57 -0.02 0.00 0.02 0.00 0.00 34.50 32.77 2aiz s PRO 114 CO -0.03 -3.64 -0.12 0.00 -0.33 0.00 0.00 177.00 172.88 2aiz n ALA 115 N -4.87 0.31 -2.30 -1.55 0.00 -1.26 -4.99 120.51 105.85 2aiz n ALA 115 Ca 0.04 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 2aiz n ALA 115 Cb 0.54 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 2aiz n ALA 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2aiz s VAL 116 N -1.69 4.83 -0.11 0.00 0.11 -1.26 -5.08 120.40 117.20 2aiz s VAL 116 Ca -0.10 0.62 -0.02 0.00 -2.93 0.00 0.00 61.98 59.55 2aiz s VAL 116 Cb 0.01 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.19 2aiz s VAL 116 CO 0.15 -0.19 -0.03 -0.76 -3.33 0.00 0.00 175.10 170.94 2aiz s LEU 117 N -3.08 3.38 0.00 2.54 1.02 -1.26 -4.97 118.68 116.31 2aiz s LEU 117 Ca 0.50 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.66 2aiz s LEU 117 Cb -0.11 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.32 2aiz s LEU 117 CO 0.22 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.49 2aiz n GLY 118 N 2.69 0.59 2.78 -3.19 0.00 -1.26 -4.89 105.19 101.91 2aiz n GLY 118 Ca -0.18 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 43.94 2aiz n GLY 118 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2aiz n HIS 119 N -0.68 1.18 -4.24 1.61 -0.00 -1.26 -4.82 115.22 107.01 2aiz n HIS 119 Ca 0.00 -2.36 -0.17 0.00 0.46 0.00 0.00 57.72 55.65 2aiz n HIS 119 Cb 0.00 -0.26 -0.11 0.00 -0.12 0.00 0.00 29.99 29.50 2aiz n HIS 119 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 2aiz s ASP 120 N -3.54 1.93 0.58 0.26 1.47 -1.26 -4.98 116.67 111.13 2aiz s ASP 120 Ca 0.27 -0.86 0.34 0.00 1.18 0.00 0.00 52.55 53.48 2aiz s ASP 120 Cb 0.37 -0.05 1.35 0.00 -0.34 0.00 0.00 42.92 44.25 2aiz s ASP 120 CO -0.01 -0.20 1.60 -0.33 0.68 0.00 0.00 175.17 176.91 2aiz h GLU 121 N 3.32 0.00 0.80 2.11 4.39 -1.98 0.24 114.58 123.45 2aiz h GLU 121 Ca -0.39 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.27 2aiz h GLU 121 Cb 1.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2aiz h GLU 121 CO 0.54 0.00 -0.38 0.00 -1.16 0.00 0.00 179.01 178.01 2aiz h ALA 122 N 1.03 -1.08 -0.21 3.43 0.00 -1.98 0.26 119.26 120.72 2aiz h ALA 122 Ca 0.53 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 2aiz h ALA 122 Cb 2.55 0.42 0.01 0.00 0.00 0.00 0.00 17.79 20.76 2aiz h ALA 122 CO -0.01 -1.05 -0.68 0.00 0.00 0.00 0.00 179.25 177.52 2aiz h ALA 123 N -1.07 0.40 -0.13 0.00 0.00 -1.28 -2.31 119.26 114.87 2aiz h ALA 123 Ca -0.11 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.26 2aiz h ALA 123 Cb 0.84 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2aiz h ALA 123 CO 0.18 0.69 -0.01 1.88 0.00 0.00 0.00 179.25 181.99 2aiz h TYR 124 N 0.58 -0.03 -0.25 0.00 0.05 -0.66 0.56 116.97 117.22 2aiz h TYR 124 Ca -0.02 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 2aiz h TYR 124 Cb 1.29 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.05 2aiz h TYR 124 CO 0.08 -0.03 0.02 1.03 -1.05 0.00 0.00 178.16 178.21 2aiz h SER 125 N 0.03 0.34 1.14 3.88 0.87 -0.50 -0.81 113.55 118.50 2aiz h SER 125 Ca 0.06 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2aiz h SER 125 Cb 0.08 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2aiz h SER 125 CO -0.11 0.38 0.00 0.29 -0.53 0.00 0.00 176.83 176.86 2aiz n LYS 126 N -4.35 0.22 0.01 2.24 5.02 -0.57 -3.17 118.16 117.55 2aiz n LYS 126 Ca 0.01 0.29 0.02 0.00 -2.02 0.00 0.00 58.31 56.61 2aiz n LYS 126 Cb 0.19 -1.81 -0.11 0.00 -0.02 0.00 0.00 35.03 33.28 2aiz n LYS 126 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2aiz n ASN 127 N -2.20 0.51 -4.56 4.39 3.02 0.08 -4.76 115.26 111.73 2aiz n ASN 127 Ca 0.04 0.22 -0.37 0.00 -0.03 0.00 0.00 54.58 54.44 2aiz n ASN 127 Cb 0.34 0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 40.25 2aiz n ASN 127 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2aiz s ARG 128 N -3.04 3.27 0.04 3.52 0.52 -0.90 -1.19 118.95 121.17 2aiz s ARG 128 Ca -0.05 -0.79 -0.27 0.00 -0.52 0.00 0.00 55.73 54.10 2aiz s ARG 128 Cb 0.10 -5.16 0.07 0.00 0.52 0.00 0.00 34.95 30.48 2aiz s ARG 128 CO 0.83 -2.51 0.67 -0.98 0.02 0.00 0.00 175.30 173.33 2aiz s ARG 129 N 5.61 1.12 -0.31 3.54 1.70 -0.99 -1.59 118.95 128.03 2aiz s ARG 129 Ca 0.52 -0.09 0.04 0.00 -0.47 0.00 0.00 55.73 55.72 2aiz s ARG 129 Cb -0.03 0.52 0.08 0.00 -0.57 0.00 0.00 34.95 34.96 2aiz s ARG 129 CO -0.05 -0.42 -0.01 0.00 -1.08 0.00 0.00 175.30 173.74 2aiz s ALA 130 N -2.39 2.76 -0.49 7.88 0.00 -0.88 0.12 121.76 128.77 2aiz s ALA 130 Ca -0.04 -2.23 -0.27 0.00 0.00 0.00 0.00 51.96 49.41 2aiz s ALA 130 Cb -0.01 -1.82 0.03 0.00 0.00 0.00 0.00 23.12 21.33 2aiz s ALA 130 CO -0.01 -1.50 1.06 0.08 0.00 0.00 0.00 175.76 175.39 2aiz s VAL 131 N 0.98 4.28 -0.51 0.00 1.01 0.21 -2.39 120.40 123.99 2aiz s VAL 131 Ca 0.03 0.98 -0.26 0.00 0.00 0.00 0.00 61.98 62.73 2aiz s VAL 131 Cb -0.19 -4.56 -0.08 0.00 0.00 0.00 0.00 36.38 31.55 2aiz s VAL 131 CO -0.07 -0.99 2.43 0.18 0.00 0.00 0.00 175.10 176.65 2aiz n LEU 132 N 7.66 2.23 -4.64 3.92 7.99 0.34 -1.99 117.00 132.51 2aiz n LEU 132 Ca 0.09 -0.46 -0.38 0.00 -0.01 0.00 0.00 56.01 55.26 2aiz n LEU 132 Cb 0.49 -1.55 -0.09 0.00 -0.11 0.00 0.00 43.42 42.15 2aiz n LEU 132 CO 0.69 -1.52 -0.07 0.00 -1.51 0.00 0.00 177.39 174.98 2aiz s ALA 133 N 12.00 3.57 -2.43 -1.18 0.00 0.42 -4.88 121.76 129.26 2aiz s ALA 133 Ca 1.00 -0.84 0.29 0.00 0.00 0.00 0.00 51.96 52.41 2aiz s ALA 133 Cb -0.24 -2.49 1.17 0.00 0.00 0.00 0.00 23.12 21.56 2aiz s ALA 133 CO 0.28 -0.38 1.81 0.66 0.00 0.00 0.00 175.76 178.13