#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 -0.35 -2.66 0.00 3.41 -1.26 -5.10 113.62 107.66 2aiz n SER 2 Ca 0.00 -1.14 -0.00 0.00 -0.26 0.00 0.00 58.87 57.46 2aiz n SER 2 Cb 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2aiz n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2aiz n SER 3 N -0.58 -7.75 0.02 4.04 7.64 -1.26 -4.96 113.62 110.78 2aiz n SER 3 Ca 0.00 1.36 -0.03 0.00 1.01 0.00 0.00 58.87 61.21 2aiz n SER 3 Cb 0.14 -5.14 -0.10 0.00 -1.01 0.00 0.00 64.21 58.10 2aiz n SER 3 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2aiz h SER 4 N 2.89 0.00 -2.97 6.43 4.64 -2.09 -3.46 113.55 118.99 2aiz h SER 4 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 2aiz h SER 4 Cb 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 2aiz h SER 4 CO 0.10 0.76 -0.42 0.20 -0.87 0.00 0.00 176.83 176.60 2aiz s ASN 5 N -6.03 6.43 0.19 4.97 -0.87 -1.26 -5.10 114.94 113.27 2aiz s ASN 5 Ca -0.03 0.44 -0.13 0.00 -1.57 0.00 0.00 52.86 51.57 2aiz s ASN 5 Cb 0.08 -2.03 -0.07 0.00 -0.02 0.00 0.00 41.25 39.21 2aiz s ASN 5 CO 0.81 0.17 0.57 0.20 -2.57 0.00 0.00 177.10 176.28 2aiz s ASN 6 N -2.24 6.77 -0.18 -1.22 -0.87 -1.26 -5.02 114.94 110.92 2aiz s ASN 6 Ca 0.34 1.05 -0.15 0.00 -1.57 0.00 0.00 52.86 52.54 2aiz s ASN 6 Cb -0.13 -2.28 -0.10 0.00 -0.02 0.00 0.00 41.25 38.72 2aiz s ASN 6 CO 0.23 0.02 -0.03 -0.67 -2.57 0.00 0.00 177.10 174.08 2aiz n ASP 7 N 0.41 1.84 -1.51 -1.22 -0.08 -1.26 -5.10 116.55 109.63 2aiz n ASP 7 Ca -0.03 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 2aiz n ASP 7 Cb 0.52 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 43.08 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2aiz n ALA 8 N -3.62 -1.98 1.65 -1.67 0.00 -1.26 -4.72 120.51 108.91 2aiz n ALA 8 Ca -0.21 0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.76 2aiz n ALA 8 Cb 0.49 -1.34 0.53 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.55 2.58 0.24 0.00 0.00 -1.26 -3.91 120.51 117.61 2aiz n ALA 9 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.20 2aiz n ALA 9 Cb 0.00 -1.23 0.61 0.00 0.00 0.00 0.00 19.45 18.83 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 5.15 0.00 -5.09 0.00 0.00 -2.02 -3.45 103.07 97.66 2aiz h GLY 10 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2aiz h GLY 10 CO 0.00 0.00 -0.22 1.16 0.00 0.00 0.00 176.54 177.48 2aiz n ASN 11 N -4.12 -1.90 -0.04 0.19 0.23 -1.25 -4.80 115.26 103.57 2aiz n ASN 11 Ca -0.02 0.15 -0.14 0.00 -0.53 0.00 0.00 54.58 54.03 2aiz n ASN 11 Cb 0.22 -1.70 -0.08 0.00 -2.08 0.00 0.00 39.78 36.13 2aiz n ASN 11 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2aiz h GLY 12 N -0.20 0.40 0.00 4.83 0.00 -1.92 -3.41 103.07 102.77 2aiz h GLY 12 Ca -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2aiz h GLY 12 CO 0.22 0.44 0.00 0.00 0.00 0.00 0.00 176.54 177.20 2aiz n ALA 13 N -2.48 0.00 -3.85 3.60 0.00 -1.26 -5.12 120.51 111.40 2aiz n ALA 13 Ca -0.07 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.33 2aiz n ALA 13 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.48 -2.70 0.06 0.00 0.00 -1.26 -5.18 121.76 109.20 2aiz s ALA 14 Ca 0.00 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2aiz s ALA 14 Cb 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 2aiz s ALA 14 CO 0.00 -1.14 -0.15 -0.65 0.00 0.00 0.00 175.76 173.82 2aiz s GLN 15 N -2.01 0.90 0.08 0.00 1.11 -1.26 -4.94 119.66 113.55 2aiz s GLN 15 Ca 0.26 -0.89 0.06 0.00 0.01 0.00 0.00 55.36 54.80 2aiz s GLN 15 Cb 0.03 -0.93 -0.03 0.00 -1.01 0.00 0.00 33.01 31.07 2aiz s GLN 15 CO -0.04 0.22 -0.16 0.95 0.01 0.00 0.00 175.29 176.27 2aiz s THR 16 N -1.07 1.27 -0.22 -0.19 -4.23 -1.26 -3.98 115.64 105.96 2aiz s THR 16 Ca 0.00 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2aiz s THR 16 Cb -0.09 -1.22 0.09 0.00 1.34 0.00 0.00 72.50 72.61 2aiz s THR 16 CO 0.02 -0.20 0.15 -0.36 -0.54 0.00 0.00 174.62 173.69 2aiz s PHE 17 N -1.31 0.05 0.00 3.99 0.40 0.36 -4.84 117.98 116.62 2aiz s PHE 17 Ca 0.01 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 2aiz s PHE 17 Cb -0.10 -0.65 0.00 0.00 0.51 0.00 0.00 43.02 42.79 2aiz s PHE 17 CO 0.03 -0.66 0.00 0.41 0.70 0.00 0.00 175.22 175.70 2aiz n GLY 18 N 5.28 0.19 0.00 4.36 0.00 -1.26 -2.98 105.19 110.78 2aiz n GLY 18 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.58 2.90 3.62 -0.02 0.00 -1.26 -4.83 105.19 105.02 2aiz n GLY 19 Ca 0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.14 2.51 -0.02 1.61 2.02 -1.16 -5.03 117.35 117.15 2aiz s TYR 20 Ca 0.00 -0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 56.04 2aiz s TYR 20 Cb 0.00 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2aiz s TYR 20 CO 0.00 0.45 0.15 -1.12 -1.57 0.00 0.00 175.55 173.46 2aiz s SER 21 N -3.71 6.17 0.55 2.29 0.01 -1.26 0.13 113.70 117.88 2aiz s SER 21 Ca 0.35 0.30 0.44 0.00 1.31 0.00 0.00 55.95 58.36 2aiz s SER 21 Cb 0.08 -1.90 1.65 0.00 0.21 0.00 0.00 66.02 66.06 2aiz s SER 21 CO 0.18 0.28 1.66 0.58 0.41 0.00 0.00 173.24 176.36 2aiz h VAL 22 N 3.05 0.16 0.00 3.43 2.07 -1.95 0.60 116.25 123.62 2aiz h VAL 22 Ca -0.50 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2aiz h VAL 22 Cb 1.19 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2aiz h VAL 22 CO 0.66 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 178.23 2aiz h ALA 23 N 1.19 1.17 0.00 1.67 0.00 -1.93 -1.86 119.26 119.50 2aiz h ALA 23 Ca 0.79 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.41 2aiz h ALA 23 Cb 3.15 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 20.89 2aiz h ALA 23 CO -0.03 0.02 -1.90 -0.40 0.00 0.00 0.00 179.25 176.94 2aiz n ASP 24 N -3.35 1.95 -0.33 0.00 5.68 0.21 -3.32 116.55 117.38 2aiz n ASP 24 Ca -0.02 0.34 0.36 0.00 -0.50 0.00 0.00 54.79 54.97 2aiz n ASP 24 Cb 0.12 -0.79 0.69 0.00 -1.14 0.00 0.00 41.12 40.00 2aiz n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2aiz h LEU 25 N -1.00 0.00 0.00 -2.12 3.38 -1.47 0.92 115.31 115.03 2aiz h LEU 25 Ca -0.42 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.20 2aiz h LEU 25 Cb 1.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 2aiz h LEU 25 CO -0.25 0.00 -2.26 0.00 0.09 0.00 0.00 178.44 176.02 2aiz n GLN 26 N -3.79 0.68 -3.09 1.13 10.64 -0.71 -4.45 117.38 117.78 2aiz n GLN 26 Ca 0.27 0.07 -0.17 0.00 -1.83 0.00 0.00 57.00 55.34 2aiz n GLN 26 Cb 1.44 -1.58 -0.05 0.00 -0.86 0.00 0.00 30.24 29.19 2aiz n GLN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2aiz n GLN 27 N -2.87 0.43 0.00 2.61 10.64 0.23 -4.90 117.38 123.51 2aiz n GLN 27 Ca -0.31 -2.67 0.00 0.00 -1.83 0.00 0.00 57.00 52.19 2aiz n GLN 27 Cb 1.12 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.98 2aiz n GLN 27 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2aiz n ARG 28 N 2.56 0.00 -3.61 2.61 0.00 0.26 -4.41 116.66 114.07 2aiz n ARG 28 Ca 0.23 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.69 2aiz n ARG 28 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.91 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 0.00 3.50 -0.40 -0.14 1.51 -0.21 -4.87 117.35 116.74 2aiz s TYR 29 Ca 0.00 -2.53 0.04 0.00 -1.01 0.00 0.00 57.07 53.56 2aiz s TYR 29 Cb 0.00 -3.36 0.29 0.00 -0.11 0.00 0.00 41.96 38.78 2aiz s TYR 29 CO 0.00 -0.88 1.17 0.27 -1.11 0.00 0.00 175.55 175.00 2aiz n ASN 30 N 3.58 -1.94 -3.61 2.29 0.23 -1.26 -4.05 115.26 110.49 2aiz n ASN 30 Ca 0.10 -2.68 -0.03 0.00 -0.53 0.00 0.00 54.58 51.43 2aiz n ASN 30 Cb 0.40 1.43 -0.06 0.00 -2.08 0.00 0.00 39.78 39.47 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 0.28 -0.26 0.06 5.53 2.01 -1.26 -1.53 115.64 120.47 2aiz s THR 31 Ca 0.25 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.25 2aiz s THR 31 Cb 0.26 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 2aiz s THR 31 CO -0.14 0.00 0.22 -0.69 -0.69 0.00 0.00 174.62 173.31 2aiz s VAL 32 N 1.91 5.38 -0.30 3.82 1.01 -0.91 -4.93 120.40 126.38 2aiz s VAL 32 Ca -0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2aiz s VAL 32 Cb -0.06 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.75 2aiz s VAL 32 CO -0.18 0.13 -0.01 -0.31 0.00 0.00 0.00 175.10 174.74 2aiz s TYR 33 N -1.52 3.33 0.68 5.22 1.51 -1.26 -2.14 117.35 123.18 2aiz s TYR 33 Ca 0.35 -2.12 -0.03 0.00 -1.01 0.00 0.00 57.07 54.26 2aiz s TYR 33 Cb -0.13 -2.22 0.08 0.00 -0.11 0.00 0.00 41.96 39.58 2aiz s TYR 33 CO 0.28 -0.85 0.96 -0.06 -1.11 0.00 0.00 175.55 174.77 2aiz s PHE 34 N 1.18 2.39 0.22 2.71 0.08 -0.25 -4.88 117.98 119.43 2aiz s PHE 34 Ca -0.04 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.11 2aiz s PHE 34 Cb -0.20 -3.07 0.02 0.00 -0.57 0.00 0.00 43.02 39.19 2aiz s PHE 34 CO -0.03 -1.44 0.15 0.41 -0.10 0.00 0.00 175.22 174.21 2aiz n GLY 35 N -2.79 3.05 3.68 4.36 0.00 -1.26 -4.77 105.19 107.46 2aiz n GLY 35 Ca 0.11 -2.23 -0.44 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.97 2.49 -2.64 1.61 7.35 -1.26 -1.96 117.46 122.09 2aiz n PHE 36 Ca -0.02 -0.17 -0.07 0.00 -0.76 0.00 0.00 57.45 56.43 2aiz n PHE 36 Cb 0.26 -2.73 -0.01 0.00 0.35 0.00 0.00 39.48 37.35 2aiz n PHE 36 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2aiz n ASP 37 N 6.38 -2.04 -4.85 -2.13 5.68 -1.26 -4.90 116.55 113.43 2aiz n ASP 37 Ca 0.20 0.27 -0.37 0.00 -0.50 0.00 0.00 54.79 54.39 2aiz n ASP 37 Cb 0.36 -1.82 -0.06 0.00 -1.14 0.00 0.00 41.12 38.46 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2aiz s LYS 38 N -5.18 3.79 -0.40 0.11 3.01 -0.83 -5.02 119.74 115.22 2aiz s LYS 38 Ca 0.07 0.24 0.11 0.00 -1.01 0.00 0.00 55.97 55.38 2aiz s LYS 38 Cb -0.04 -3.15 0.42 0.00 -1.01 0.00 0.00 37.83 34.05 2aiz s LYS 38 CO 0.08 0.67 0.97 2.48 0.51 0.00 0.00 175.35 180.07 2aiz n TYR 39 N 1.57 2.14 -3.75 3.18 4.11 -1.26 -4.57 117.16 118.58 2aiz n TYR 39 Ca -0.13 -3.19 -0.13 0.00 -0.00 0.00 0.00 57.90 54.45 2aiz n TYR 39 Cb 0.53 -0.30 -0.08 0.00 -0.00 0.00 0.00 39.34 39.49 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 -3.21 -0.21 0.30 9.48 1.11 -1.26 -4.85 116.67 118.04 2aiz s ASP 40 Ca 0.39 0.10 0.06 0.00 0.18 0.00 0.00 52.55 53.28 2aiz s ASP 40 Cb 0.40 0.32 -0.02 0.00 1.07 0.00 0.00 42.92 44.70 2aiz s ASP 40 CO -0.08 -0.46 0.43 -0.63 1.18 0.00 0.00 175.17 175.61 2aiz s ILE 41 N -1.36 4.44 0.10 0.77 1.09 -1.26 -4.85 121.20 120.13 2aiz s ILE 41 Ca -0.13 -1.01 0.05 0.00 -1.10 0.00 0.00 60.65 58.46 2aiz s ILE 41 Cb -0.05 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.77 2aiz s ILE 41 CO 0.04 -0.21 -0.01 0.42 -0.10 0.00 0.00 174.94 175.08 2aiz s THR 42 N -2.12 3.91 0.56 2.92 -4.23 -1.26 -4.99 115.64 110.43 2aiz s THR 42 Ca 0.41 -1.07 0.43 0.00 -1.18 0.00 0.00 61.69 60.28 2aiz s THR 42 Cb -0.09 -2.88 0.64 0.00 1.34 0.00 0.00 72.50 71.51 2aiz s THR 42 CO 0.30 0.09 1.67 1.23 -0.54 0.00 0.00 174.62 177.37 2aiz h GLY 43 N 3.35 0.00 1.96 3.99 0.00 -1.99 1.00 103.07 111.38 2aiz h GLY 43 Ca -0.48 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 2aiz h GLY 43 CO 0.59 0.00 -0.24 -2.09 0.00 0.00 0.00 176.54 174.79 2aiz h GLU 44 N 0.00 0.05 -0.09 4.80 4.81 -2.03 -2.66 114.58 119.46 2aiz h GLU 44 Ca 0.75 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.96 2aiz h GLU 44 Cb 3.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 32.42 2aiz h GLU 44 CO -0.01 0.30 0.00 0.66 -0.73 0.00 0.00 179.01 179.23 2aiz n TYR 45 N -4.23 0.09 0.01 0.92 4.01 0.34 -4.46 117.16 113.85 2aiz n TYR 45 Ca -0.02 -0.06 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 2aiz n TYR 45 Cb 0.31 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 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 3.71 1.32 -0.96 -0.72 2.07 -0.96 -3.23 116.25 117.48 2aiz h VAL 46 Ca 0.00 -2.02 0.16 0.00 0.82 0.00 0.00 66.70 65.65 2aiz h VAL 46 Cb 0.81 2.01 -0.10 0.00 -1.52 0.00 0.00 31.29 32.49 2aiz h VAL 46 CO 0.00 0.63 0.57 1.56 0.02 0.00 0.00 177.57 180.35 2aiz h GLN 47 N 0.43 0.78 -0.31 1.57 1.08 -1.78 -0.37 115.11 116.51 2aiz h GLN 47 Ca -0.04 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 2aiz h GLN 47 Cb 1.33 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2aiz h GLN 47 CO 0.14 0.52 -0.22 -0.84 -0.95 0.00 0.00 178.83 177.48 2aiz h ILE 48 N 0.80 1.26 -0.82 2.54 3.07 -1.86 0.44 117.51 122.95 2aiz h ILE 48 Ca 0.52 -1.26 -0.04 0.00 1.55 0.00 0.00 64.86 65.63 2aiz h ILE 48 Cb 0.70 1.26 -0.04 0.00 -0.27 0.00 0.00 36.82 38.47 2aiz h ILE 48 CO -0.34 0.41 0.35 -0.07 -1.05 0.00 0.00 178.15 177.46 2aiz h LEU 49 N 0.53 1.10 -0.32 0.16 3.38 -1.15 1.06 115.31 120.08 2aiz h LEU 49 Ca 0.08 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 2aiz h LEU 49 Cb 0.67 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2aiz h LEU 49 CO 0.05 0.96 -0.83 0.44 0.09 0.00 0.00 178.44 179.15 2aiz h ASP 50 N 1.18 0.39 0.08 -0.43 5.19 -0.89 -2.21 116.42 119.72 2aiz h ASP 50 Ca 0.28 -0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2aiz h ASP 50 Cb 0.18 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2aiz h ASP 50 CO -0.03 1.06 -0.04 0.00 -3.12 0.00 0.00 179.24 177.12 2aiz h ALA 51 N 0.92 -0.10 -0.84 3.45 0.00 0.35 -2.30 119.26 120.74 2aiz h ALA 51 Ca -0.05 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 54.75 2aiz h ALA 51 Cb 1.43 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 2aiz h ALA 51 CO 0.14 -0.16 0.55 0.45 0.00 0.00 0.00 179.25 180.22 2aiz h HIS 52 N -0.89 0.60 -0.54 0.00 3.86 0.11 0.94 115.15 119.23 2aiz h HIS 52 Ca -0.01 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 2aiz h HIS 52 Cb 0.59 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 2aiz h HIS 52 CO 0.13 0.21 -0.13 0.00 0.86 0.00 0.00 177.93 179.00 2aiz h ALA 53 N 1.62 0.74 -0.98 2.45 0.00 -1.41 -0.14 119.26 121.55 2aiz h ALA 53 Ca 0.42 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2aiz h ALA 53 Cb 0.90 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2aiz h ALA 53 CO -0.16 0.67 0.64 0.00 0.00 0.00 0.00 179.25 180.40 2aiz h ALA 54 N 0.92 1.27 -0.08 0.00 0.00 -0.23 -0.50 119.26 120.64 2aiz h ALA 54 Ca 0.14 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 2aiz h ALA 54 Cb 0.70 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2aiz h ALA 54 CO 0.05 0.58 -0.83 -0.92 0.00 0.00 0.00 179.25 178.12 2aiz h TYR 55 N 1.28 0.85 -0.62 0.00 3.20 -1.22 -2.16 116.97 118.30 2aiz h TYR 55 Ca 0.37 -0.40 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2aiz h TYR 55 Cb -0.07 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 2aiz h TYR 55 CO -0.00 1.21 0.29 1.25 -1.64 0.00 0.00 178.16 179.27 2aiz h LEU 56 N 0.39 0.81 -0.27 2.82 5.85 -0.45 -2.46 115.31 122.01 2aiz h LEU 56 Ca -0.06 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.38 2aiz h LEU 56 Cb 1.45 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2aiz h LEU 56 CO 0.16 0.72 -0.38 -1.13 -0.34 0.00 0.00 178.44 177.47 2aiz h ASN 57 N 0.85 0.79 -0.26 1.25 -0.73 -1.14 -3.00 115.58 113.33 2aiz h ASN 57 Ca 0.21 -0.51 0.08 0.00 1.87 0.00 0.00 56.30 57.95 2aiz h ASN 57 Cb 0.13 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 2aiz h ASN 57 CO -0.03 1.15 0.24 0.00 -0.37 0.00 0.00 177.43 178.43 2aiz h ALA 58 N 0.67 2.01 -3.31 1.57 0.00 -1.18 -3.36 119.26 115.65 2aiz h ALA 58 Ca 0.03 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.25 2aiz h ALA 58 Cb 0.97 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.47 2aiz h ALA 58 CO 0.09 -0.38 -0.69 0.95 0.00 0.00 0.00 179.25 179.22 2aiz s THR 59 N -4.76 3.22 0.16 0.00 -4.23 -0.95 -5.01 115.64 104.06 2aiz s THR 59 Ca -0.05 -1.14 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 2aiz s THR 59 Cb 0.16 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.29 2aiz s THR 59 CO 0.60 -0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.74 2aiz h PRO 60 N 8.07 0.12 -0.68 3.99 0.11 -1.78 -2.25 132.00 139.58 2aiz h PRO 60 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2aiz h PRO 60 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2aiz h PRO 60 CO 0.57 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 2aiz n ALA 61 N -2.46 3.11 -2.60 -0.75 0.00 -1.26 -4.87 120.51 111.67 2aiz n ALA 61 Ca 0.01 -1.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.01 2aiz n ALA 61 Cb 0.17 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 2aiz n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz s ALA 62 N -1.89 3.55 -0.10 0.00 0.00 -0.85 -5.05 121.76 117.42 2aiz s ALA 62 Ca 0.31 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2aiz s ALA 62 Cb 0.22 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 2aiz s ALA 62 CO 0.12 -1.01 -0.22 0.15 0.00 0.00 0.00 175.76 174.80 2aiz s LYS 63 N 2.57 3.09 -0.02 0.00 1.02 -1.26 -4.84 119.74 120.31 2aiz s LYS 63 Ca 0.25 -0.84 -0.13 0.00 0.02 0.00 0.00 55.97 55.27 2aiz s LYS 63 Cb -0.15 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2aiz s LYS 63 CO 0.11 0.20 0.36 0.54 -0.92 0.00 0.00 175.35 175.65 2aiz s VAL 64 N 0.30 5.11 -0.39 3.17 0.11 0.15 -4.84 120.40 124.01 2aiz s VAL 64 Ca -0.16 0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 59.55 2aiz s VAL 64 Cb -0.17 -3.66 0.08 0.00 -1.53 0.00 0.00 36.38 31.10 2aiz s VAL 64 CO 0.08 0.57 0.19 -0.22 -3.33 0.00 0.00 175.10 172.40 2aiz s LEU 65 N -1.11 4.95 -0.50 2.54 0.20 0.36 -1.18 118.68 123.94 2aiz s LEU 65 Ca 0.23 -1.62 -0.25 0.00 0.69 0.00 0.00 54.13 53.17 2aiz s LEU 65 Cb -0.16 -1.89 0.03 0.00 -0.43 0.00 0.00 46.19 43.75 2aiz s LEU 65 CO 0.12 -0.49 0.96 -0.69 -0.29 0.00 0.00 176.35 175.96 2aiz s VAL 66 N 1.31 4.40 -0.29 1.68 1.01 0.29 0.14 120.40 128.94 2aiz s VAL 66 Ca 0.03 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 2aiz s VAL 66 Cb -0.22 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 2aiz s VAL 66 CO -0.00 -0.98 0.17 -0.70 0.00 0.00 0.00 175.10 173.58 2aiz s GLU 67 N 3.93 3.67 0.21 2.72 2.12 -0.92 -1.72 118.70 128.71 2aiz s GLU 67 Ca 0.35 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 55.13 2aiz s GLU 67 Cb -0.11 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 2aiz s GLU 67 CO 0.24 -0.29 0.46 0.20 -0.54 0.00 0.00 175.26 175.33 2aiz s GLY 68 N 1.70 2.04 0.24 -1.50 0.00 -0.08 0.41 107.32 110.13 2aiz s GLY 68 Ca 0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 44.72 44.12 2aiz s GLY 68 CO 0.09 -0.48 0.39 -1.31 0.00 0.00 0.00 173.10 171.79 2aiz s ASN 69 N -2.79 0.05 0.00 1.64 0.01 0.30 -1.29 114.94 112.86 2aiz s ASN 69 Ca 0.42 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 2aiz s ASN 69 Cb -0.11 0.54 0.00 0.00 0.41 0.00 0.00 41.25 42.09 2aiz s ASN 69 CO 0.27 -1.08 0.00 1.07 -1.51 0.00 0.00 177.10 175.85 2aiz n THR 70 N -0.37 0.00 -1.65 1.60 5.66 0.09 -2.03 114.28 117.58 2aiz n THR 70 Ca -0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 2aiz n THR 70 Cb 0.63 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.42 2aiz n THR 70 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2aiz n ASP 71 N 0.00 1.93 0.27 1.09 5.75 -1.26 -4.68 116.55 119.66 2aiz n ASP 71 Ca 0.00 1.09 0.12 0.00 -0.01 0.00 0.00 54.79 55.99 2aiz n ASP 71 Cb 0.00 -1.42 0.75 0.00 -1.03 0.00 0.00 41.12 39.42 2aiz n ASP 71 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2aiz h GLU 72 N 1.89 0.00 -5.80 0.11 -0.00 -1.92 -3.42 114.58 105.44 2aiz h GLU 72 Ca -0.46 0.00 -0.75 0.00 -0.00 0.00 0.00 59.36 58.15 2aiz h GLU 72 Cb 1.32 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 30.03 2aiz h GLU 72 CO 0.59 0.08 1.23 -2.13 -0.00 0.00 0.00 179.01 178.78 2aiz n ARG 73 N -3.85 0.00 0.00 1.06 3.00 -1.26 -4.51 116.66 111.09 2aiz n ARG 73 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2aiz n ARG 73 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.19 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 7.00 -0.41 3.80 5.14 0.00 -1.26 -4.92 105.19 114.53 2aiz n GLY 74 Ca 0.51 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 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 4.86 0.35 2.61 -4.23 -1.26 -4.87 115.64 113.10 2aiz s THR 75 Ca 0.00 -0.32 0.16 0.00 -1.18 0.00 0.00 61.69 60.35 2aiz s THR 75 Cb 0.00 -3.21 0.35 0.00 1.34 0.00 0.00 72.50 70.98 2aiz s THR 75 CO 0.00 0.38 1.67 -0.65 -0.54 0.00 0.00 174.62 175.48 2aiz h PRO 76 N 4.18 0.31 -0.54 3.99 0.11 -1.90 0.43 132.00 138.58 2aiz h PRO 76 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2aiz h PRO 76 Cb 1.19 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2aiz h PRO 76 CO 0.62 0.21 0.18 0.93 -0.21 0.00 0.00 178.00 179.73 2aiz h GLU 77 N 0.32 0.83 -0.40 1.05 4.39 -1.97 1.06 114.58 119.85 2aiz h GLU 77 Ca 0.73 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 60.15 2aiz h GLU 77 Cb 1.73 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 2aiz h GLU 77 CO -0.55 0.75 -0.18 -0.92 -1.16 0.00 0.00 179.01 176.95 2aiz h TYR 78 N 0.74 0.95 0.00 4.33 5.03 -0.71 -2.59 116.97 124.72 2aiz h TYR 78 Ca 0.17 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.25 2aiz h TYR 78 Cb 0.26 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.31 2aiz h TYR 78 CO 0.01 0.99 0.00 0.09 -1.32 0.00 0.00 178.16 177.93 2aiz n ASN 79 N -4.25 0.00 -0.16 -2.11 3.02 0.47 -2.05 115.26 110.18 2aiz n ASN 79 Ca -0.01 0.47 0.16 0.00 -0.03 0.00 0.00 54.58 55.17 2aiz n ASN 79 Cb 0.42 -0.24 0.29 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.22 -0.21 0.17 2.41 3.06 0.36 0.14 119.36 124.07 2aiz n ILE 80 Ca 0.00 1.04 -0.11 0.00 -2.50 0.00 0.00 62.75 61.17 2aiz n ILE 80 Cb 0.00 -1.67 -0.07 0.00 0.54 0.00 0.00 39.64 38.44 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 1.01 -0.49 -0.83 1.51 0.00 -1.52 1.05 119.26 119.99 2aiz h ALA 81 Ca 0.42 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.21 2aiz h ALA 81 Cb 1.11 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2aiz h ALA 81 CO -0.40 -0.53 0.52 1.25 0.00 0.00 0.00 179.25 180.09 2aiz h LEU 82 N -0.98 0.82 0.12 0.00 7.12 0.18 -0.24 115.31 122.32 2aiz h LEU 82 Ca -0.05 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 2aiz h LEU 82 Cb 0.52 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2aiz h LEU 82 CO 0.08 0.53 -0.06 1.23 -0.13 0.00 0.00 178.44 180.10 2aiz h GLY 83 N 0.95 -0.17 -0.28 3.75 0.00 0.16 -2.72 103.07 104.77 2aiz h GLY 83 Ca 0.36 0.06 0.30 0.00 0.00 0.00 0.00 47.33 48.05 2aiz h GLY 83 CO -0.16 -0.06 0.71 -1.61 0.00 0.00 0.00 176.54 175.42 2aiz h GLN 84 N -0.65 0.30 -0.11 4.80 4.15 0.14 0.83 115.11 124.57 2aiz h GLN 84 Ca -0.02 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2aiz h GLN 84 Cb 0.50 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2aiz h GLN 84 CO 0.03 0.20 0.06 -0.09 -1.93 0.00 0.00 178.83 177.10 2aiz h ARG 85 N 0.31 0.16 -0.94 1.69 9.65 -0.90 0.21 114.38 124.57 2aiz h ARG 85 Ca 0.62 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.59 2aiz h ARG 85 Cb 1.72 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 30.19 2aiz h ARG 85 CO -0.28 0.20 0.57 0.00 2.80 0.00 0.00 179.97 183.27 2aiz h ARG 86 N 0.08 0.91 -0.41 0.20 3.08 0.87 0.57 114.38 119.67 2aiz h ARG 86 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2aiz h ARG 86 Cb 0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2aiz h ARG 86 CO -0.01 0.60 0.23 0.00 -1.07 0.00 0.00 179.97 179.72 2aiz h ALA 87 N 1.50 1.63 -0.17 0.04 0.00 0.17 0.54 119.26 122.97 2aiz h ALA 87 Ca 0.46 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2aiz h ALA 87 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2aiz h ALA 87 CO -0.25 0.31 -0.27 -0.44 0.00 0.00 0.00 179.25 178.60 2aiz h ASP 88 N 0.56 0.32 0.35 0.00 5.19 0.32 -0.23 116.42 122.93 2aiz h ASP 88 Ca 0.15 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 2aiz h ASP 88 Cb 0.01 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.44 2aiz h ASP 88 CO -0.03 0.59 -0.17 0.00 -3.12 0.00 0.00 179.24 176.52 2aiz h ALA 89 N 1.44 -0.46 -0.17 3.45 0.00 0.81 0.23 119.26 124.56 2aiz h ALA 89 Ca 0.04 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2aiz h ALA 89 Cb 0.63 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2aiz h ALA 89 CO 0.05 -0.75 -0.42 0.28 0.00 0.00 0.00 179.25 178.41 2aiz h VAL 90 N -0.48 1.31 0.27 0.00 2.07 -1.35 -2.09 116.25 115.98 2aiz h VAL 90 Ca -0.05 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 2aiz h VAL 90 Cb 0.37 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2aiz h VAL 90 CO 0.08 0.48 -0.13 0.50 0.02 0.00 0.00 177.57 178.52 2aiz h LYS 91 N 0.32 -0.35 0.00 1.57 3.11 -0.81 -2.27 116.57 118.15 2aiz h LYS 91 Ca 0.03 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.85 2aiz h LYS 91 Cb 0.87 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.18 2aiz h LYS 91 CO 0.07 -0.20 -0.18 0.78 -2.81 0.00 0.00 179.45 177.11 2aiz h GLY 92 N -0.40 0.00 0.93 5.01 0.00 -0.93 -2.18 103.07 105.49 2aiz h GLY 92 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2aiz h GLY 92 CO 0.06 0.00 -0.42 -1.82 0.00 0.00 0.00 176.54 174.36 2aiz h TYR 93 N 0.00 -1.09 -0.32 5.60 5.03 -0.85 0.85 116.97 126.18 2aiz h TYR 93 Ca -0.00 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.38 2aiz h TYR 93 Cb 0.39 0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.03 2aiz h TYR 93 CO 0.00 -0.65 0.24 -0.07 -1.32 0.00 0.00 178.16 176.35 2aiz h LEU 94 N -1.10 0.00 -0.45 2.82 3.38 -1.23 0.21 115.31 118.94 2aiz h LEU 94 Ca -0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 2aiz h LEU 94 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2aiz h LEU 94 CO 0.14 0.00 -0.40 0.00 0.09 0.00 0.00 178.44 178.27 2aiz h ALA 95 N 1.83 0.63 -0.51 1.53 0.00 -0.58 -2.43 119.26 119.73 2aiz h ALA 95 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2aiz h ALA 95 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2aiz h ALA 95 CO -0.00 0.67 0.32 0.78 0.00 0.00 0.00 179.25 181.02 2aiz h GLY 96 N 0.84 0.73 1.38 0.00 0.00 0.40 -0.74 103.07 105.68 2aiz h GLY 96 Ca 0.05 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 2aiz h GLY 96 CO 0.09 0.28 0.10 0.50 0.00 0.00 0.00 176.54 177.51 2aiz h LYS 97 N 0.70 0.77 0.00 4.80 1.57 -1.27 -3.46 116.57 119.68 2aiz h LYS 97 Ca 0.19 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2aiz h LYS 97 Cb -0.05 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2aiz h LYS 97 CO -0.04 0.72 0.00 0.41 -0.57 0.00 0.00 179.45 179.97 2aiz n GLY 98 N -0.85 1.94 3.86 3.86 0.00 -0.28 -5.14 105.19 108.57 2aiz n GLY 98 Ca 0.03 0.00 -0.34 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 -1.94 4.92 0.98 1.61 1.01 -0.93 -5.03 120.40 121.02 2aiz s VAL 99 Ca 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 2aiz s VAL 99 Cb 0.00 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.77 2aiz s VAL 99 CO 0.00 0.18 0.53 0.47 0.00 0.00 0.00 175.10 176.28 2aiz n ASP 100 N 0.60 -1.62 -0.02 3.32 8.00 -1.26 -4.46 116.55 121.11 2aiz n ASP 100 Ca -0.04 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.61 2aiz n ASP 100 Cb 0.52 -1.23 -0.14 0.00 -0.02 0.00 0.00 41.12 40.25 2aiz n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aiz n ALA 101 N -3.92 1.41 0.39 2.24 0.00 -1.26 -3.94 120.51 115.43 2aiz n ALA 101 Ca 0.07 -0.75 0.10 0.00 0.00 0.00 0.00 53.44 52.86 2aiz n ALA 101 Cb 0.54 -0.82 0.41 0.00 0.00 0.00 0.00 19.45 19.59 2aiz n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiz n GLY 102 N 1.61 -1.11 0.01 0.00 0.00 -1.26 -1.96 105.19 102.47 2aiz n GLY 102 Ca -0.19 0.05 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2aiz n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aiz n LYS 103 N -1.96 0.06 -3.91 1.61 5.02 -1.25 -4.91 118.16 112.81 2aiz n LYS 103 Ca 0.02 -0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.00 2aiz n LYS 103 Cb 0.18 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.18 4.36 -0.10 -0.35 1.43 -0.83 0.33 118.68 120.34 2aiz s LEU 104 Ca 0.08 0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.31 2aiz s LEU 104 Cb 0.16 -2.98 0.04 0.00 0.03 0.00 0.00 46.19 43.44 2aiz s LEU 104 CO 0.78 0.16 0.41 -0.83 0.23 0.00 0.00 176.35 177.10 2aiz s GLY 105 N -2.51 -0.28 0.22 -3.19 0.00 -0.33 -4.92 107.32 96.31 2aiz s GLY 105 Ca 0.35 0.89 0.09 0.00 0.00 0.00 0.00 44.72 46.05 2aiz s GLY 105 CO 0.28 0.69 -0.17 -0.51 0.00 0.00 0.00 173.10 173.39 2aiz s THR 106 N -0.47 1.95 -0.30 0.90 -4.23 -1.26 0.11 115.64 112.33 2aiz s THR 106 Ca -0.06 -2.21 -0.17 0.00 -1.18 0.00 0.00 61.69 58.07 2aiz s THR 106 Cb -0.03 -2.07 0.18 0.00 1.34 0.00 0.00 72.50 71.91 2aiz s THR 106 CO 0.03 -0.49 1.15 0.68 -0.54 0.00 0.00 174.62 175.45 2aiz s VAL 107 N -2.68 -0.24 -0.05 2.29 -7.23 -0.70 -4.91 120.40 106.89 2aiz s VAL 107 Ca 0.23 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.36 2aiz s VAL 107 Cb -0.03 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2aiz s VAL 107 CO 0.09 0.00 0.18 -0.55 -0.31 0.00 0.00 175.10 174.50 2aiz s SER 108 N 2.42 6.39 0.00 4.85 0.15 -1.26 -0.90 113.70 125.36 2aiz s SER 108 Ca -0.02 0.41 0.17 0.00 0.70 0.00 0.00 55.95 57.21 2aiz s SER 108 Cb -0.05 -2.03 0.40 0.00 -1.71 0.00 0.00 66.02 62.63 2aiz s SER 108 CO -0.15 0.32 1.32 -1.22 1.20 0.00 0.00 173.24 174.71 2aiz n TYR 109 N 1.33 0.57 0.00 3.44 4.02 -0.41 -4.89 117.16 121.22 2aiz n TYR 109 Ca -0.14 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.36 2aiz n TYR 109 Cb 0.53 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2aiz n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aiz n GLY 110 N 1.07 0.00 1.44 2.72 0.00 -1.26 -1.93 105.19 107.24 2aiz n GLY 110 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 3.30 0.37 1.61 0.28 -1.26 -4.48 120.64 120.45 2aiz n GLU 111 Ca 0.00 -2.77 -0.19 0.00 -0.16 0.00 0.00 57.16 54.04 2aiz n GLU 111 Cb 0.00 -1.74 -0.09 0.00 1.43 0.00 0.00 31.44 31.04 2aiz n GLU 111 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2aiz h GLU 112 N 4.05 -1.04 -2.66 3.44 4.57 -1.76 -3.39 114.58 117.79 2aiz h GLU 112 Ca 0.00 0.07 -0.59 0.00 -1.18 0.00 0.00 59.36 57.66 2aiz h GLU 112 Cb 1.24 0.24 -0.39 0.00 -0.16 0.00 0.00 28.75 29.67 2aiz h GLU 112 CO 0.13 -0.69 -0.83 0.21 -1.18 0.00 0.00 179.01 176.65 2aiz s LYS 113 N -5.95 0.77 1.02 1.92 2.36 -1.24 -5.14 119.74 113.48 2aiz s LYS 113 Ca -0.18 -1.57 -0.11 0.00 -2.55 0.00 0.00 55.97 51.55 2aiz s LYS 113 Cb 0.04 -1.57 0.20 0.00 -1.05 0.00 0.00 37.83 35.45 2aiz s LYS 113 CO 0.61 -1.21 1.09 -2.14 1.55 0.00 0.00 175.35 175.25 2aiz s PRO 114 N 0.80 0.22 -0.03 4.03 0.02 -1.26 -5.00 135.00 133.77 2aiz s PRO 114 Ca 0.19 1.22 -0.03 0.00 0.02 0.00 0.00 61.00 62.40 2aiz s PRO 114 Cb -0.21 -1.66 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 2aiz s PRO 114 CO -0.01 -3.07 -0.07 0.00 -0.33 0.00 0.00 177.00 173.52 2aiz n ALA 115 N -4.51 0.96 -2.58 -1.55 0.00 -1.26 -4.92 120.51 106.65 2aiz n ALA 115 Ca 0.08 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 2aiz n ALA 115 Cb 0.53 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 2aiz n ALA 115 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2aiz s VAL 116 N -1.43 4.61 0.30 0.00 1.01 -1.26 -5.02 120.40 118.61 2aiz s VAL 116 Ca -0.06 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2aiz s VAL 116 Cb 0.01 -4.36 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 2aiz s VAL 116 CO 0.08 -0.81 1.30 -0.76 0.00 0.00 0.00 175.10 174.91 2aiz s LEU 117 N 3.37 4.43 0.00 3.92 1.43 -1.26 -4.82 118.68 125.75 2aiz s LEU 117 Ca 0.29 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 2aiz s LEU 117 Cb -0.13 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2aiz s LEU 117 CO 0.21 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.89 2aiz n GLY 118 N 1.19 1.43 2.22 -3.19 0.00 -1.26 -4.94 105.19 100.63 2aiz n GLY 118 Ca 0.01 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.16 -0.04 -4.29 1.61 -0.00 -1.26 -4.77 115.22 105.30 2aiz n HIS 119 Ca 0.00 -3.70 -0.20 0.00 0.46 0.00 0.00 57.72 54.28 2aiz n HIS 119 Cb 0.00 -0.31 -0.11 0.00 -0.12 0.00 0.00 29.99 29.45 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 -2.23 2.34 0.63 0.26 -4.77 -1.26 -4.97 116.67 106.67 2aiz s ASP 120 Ca 0.39 -0.83 0.25 0.00 -3.30 0.00 0.00 52.55 49.06 2aiz s ASP 120 Cb 0.33 -0.11 1.26 0.00 -1.09 0.00 0.00 42.92 43.30 2aiz s ASP 120 CO -0.08 -0.08 1.71 -0.08 0.70 0.00 0.00 175.17 177.33 2aiz h GLU 121 N 3.42 0.00 0.16 2.11 4.57 -1.99 0.30 114.58 123.16 2aiz h GLU 121 Ca -0.41 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 2aiz h GLU 121 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2aiz h GLU 121 CO 0.50 0.00 -0.08 0.00 -1.18 0.00 0.00 179.01 178.25 2aiz h ALA 122 N 1.10 -0.22 -0.60 2.92 0.00 -1.98 -0.97 119.26 119.51 2aiz h ALA 122 Ca 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2aiz h ALA 122 Cb 1.35 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2aiz h ALA 122 CO -0.00 -0.22 0.20 0.00 0.00 0.00 0.00 179.25 179.23 2aiz h ALA 123 N -0.83 0.78 -0.43 0.00 0.00 -1.61 -2.49 119.26 114.69 2aiz h ALA 123 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2aiz h ALA 123 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2aiz h ALA 123 CO 0.04 0.44 -0.12 1.88 0.00 0.00 0.00 179.25 181.48 2aiz h TYR 124 N 0.85 0.85 -0.67 0.00 -1.99 -0.59 -1.47 116.97 113.94 2aiz h TYR 124 Ca 0.20 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 2aiz h TYR 124 Cb 0.26 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 2aiz h TYR 124 CO 0.02 0.85 0.32 0.66 -0.00 0.00 0.00 178.16 180.00 2aiz h SER 125 N 0.70 0.86 1.00 3.88 4.64 -0.88 -1.02 113.55 122.73 2aiz h SER 125 Ca 0.12 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2aiz h SER 125 Cb 0.60 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2aiz h SER 125 CO 0.04 0.73 -0.18 2.29 -0.87 0.00 0.00 176.83 178.84 2aiz n LYS 126 N -4.34 0.10 0.11 4.77 2.85 -0.96 -3.74 118.16 116.96 2aiz n LYS 126 Ca 0.06 0.06 -0.20 0.00 -1.05 0.00 0.00 58.31 57.19 2aiz n LYS 126 Cb 0.14 -1.60 -0.15 0.00 -0.65 0.00 0.00 35.03 32.77 2aiz n LYS 126 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2aiz h ASN 127 N 0.00 0.59 -1.39 -5.58 2.35 -0.11 -3.41 115.58 108.03 2aiz h ASN 127 Ca 0.00 -0.65 -0.55 0.00 -0.55 0.00 0.00 56.30 54.54 2aiz h ASN 127 Cb 0.59 -0.19 -0.09 0.00 0.05 0.00 0.00 38.32 38.68 2aiz h ASN 127 CO 0.00 1.52 1.32 0.00 -1.65 0.00 0.00 177.43 178.62 2aiz s ARG 128 N -2.63 3.36 -0.04 0.81 3.03 -0.95 -0.73 118.95 121.82 2aiz s ARG 128 Ca -0.07 -0.78 -0.10 0.00 2.03 0.00 0.00 55.73 56.82 2aiz s ARG 128 Cb 0.06 -5.03 0.01 0.00 -1.03 0.00 0.00 34.95 28.97 2aiz s ARG 128 CO 0.90 -2.33 0.22 -0.98 -1.13 0.00 0.00 175.30 171.98 2aiz s ARG 129 N 5.42 0.46 -0.51 3.89 1.70 -0.86 -1.09 118.95 127.96 2aiz s ARG 129 Ca 0.47 -0.08 -0.00 0.00 -0.47 0.00 0.00 55.73 55.64 2aiz s ARG 129 Cb -0.03 0.20 0.13 0.00 -0.57 0.00 0.00 34.95 34.69 2aiz s ARG 129 CO -0.02 -0.10 0.29 0.00 -1.08 0.00 0.00 175.30 174.38 2aiz s ALA 130 N -0.82 3.32 -0.38 7.88 0.00 -0.91 0.11 121.76 130.96 2aiz s ALA 130 Ca -0.09 -3.00 -0.29 0.00 0.00 0.00 0.00 51.96 48.58 2aiz s ALA 130 Cb -0.05 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2aiz s ALA 130 CO 0.02 -1.96 1.21 0.08 0.00 0.00 0.00 175.76 175.12 2aiz s VAL 131 N 0.29 4.20 -0.53 0.00 1.01 0.16 -2.13 120.40 123.41 2aiz s VAL 131 Ca 0.14 1.31 -0.26 0.00 0.00 0.00 0.00 61.98 63.17 2aiz s VAL 131 Cb -0.22 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 2aiz s VAL 131 CO -0.03 -0.70 2.21 -0.76 0.00 0.00 0.00 175.10 175.81 2aiz s LEU 132 N 4.42 3.37 -0.25 3.92 2.01 -0.58 -2.16 118.68 129.41 2aiz s LEU 132 Ca 0.52 0.82 -0.13 0.00 0.01 0.00 0.00 54.13 55.34 2aiz s LEU 132 Cb -0.12 -2.53 -0.04 0.00 0.01 0.00 0.00 46.19 43.51 2aiz s LEU 132 CO 0.26 -2.69 0.29 0.00 1.01 0.00 0.00 176.35 175.21 2aiz s ALA 133 N 11.03 3.57 -2.54 4.21 0.00 0.38 -4.88 121.76 133.53 2aiz s ALA 133 Ca 0.86 -0.82 0.28 0.00 0.00 0.00 0.00 51.96 52.28 2aiz s ALA 133 Cb -0.16 -2.55 0.98 0.00 0.00 0.00 0.00 23.12 21.40 2aiz s ALA 133 CO 0.24 -0.43 1.70 0.66 0.00 0.00 0.00 175.76 177.93