#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 1.79 -2.54 0.00 3.41 -1.26 -5.05 113.62 109.97 2aiz n SER 2 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2aiz n SER 2 Cb 0.00 1.47 0.04 0.00 -0.26 0.00 0.00 64.21 65.45 2aiz n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2aiz n SER 3 N -2.09 -4.91 -0.07 4.04 2.88 -1.26 -5.01 113.62 107.19 2aiz n SER 3 Ca -0.07 -0.37 -0.06 0.00 -1.33 0.00 0.00 58.87 57.04 2aiz n SER 3 Cb 0.48 -3.39 -0.03 0.00 -0.75 0.00 0.00 64.21 60.53 2aiz n SER 3 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2aiz h SER 4 N -0.52 0.00 -4.26 -3.46 0.02 -2.03 -3.44 113.55 99.87 2aiz h SER 4 Ca -0.32 -0.08 -0.67 0.00 -0.84 0.00 0.00 61.79 59.89 2aiz h SER 4 Cb 1.16 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.32 2aiz h SER 4 CO 0.25 0.79 -0.50 0.54 -1.14 0.00 0.00 176.83 176.77 2aiz s ASN 5 N -5.83 4.78 0.00 3.07 2.20 -1.26 -5.08 114.94 112.82 2aiz s ASN 5 Ca -0.14 -2.93 -0.08 0.00 -0.94 0.00 0.00 52.86 48.77 2aiz s ASN 5 Cb 0.02 -1.75 -0.05 0.00 -2.00 0.00 0.00 41.25 37.47 2aiz s ASN 5 CO 0.23 -0.30 0.28 0.20 -2.94 0.00 0.00 177.10 174.57 2aiz s ASN 6 N 0.19 6.54 0.15 3.54 -0.87 -1.26 -4.98 114.94 118.26 2aiz s ASN 6 Ca 0.17 0.62 0.19 0.00 -1.57 0.00 0.00 52.86 52.27 2aiz s ASN 6 Cb -0.23 -2.12 0.82 0.00 -0.02 0.00 0.00 41.25 39.70 2aiz s ASN 6 CO -0.02 0.27 1.59 0.47 -2.57 0.00 0.00 177.10 176.84 2aiz n ASP 7 N 1.27 0.38 -0.08 -1.22 8.00 -1.26 -4.99 116.55 118.65 2aiz n ASP 7 Ca -0.12 0.60 0.00 0.00 0.71 0.00 0.00 54.79 55.98 2aiz n ASP 7 Cb 0.53 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aiz n ALA 8 N -1.66 0.00 -1.50 2.24 0.00 -1.26 -5.08 120.51 113.25 2aiz n ALA 8 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2aiz n ALA 8 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 0.65 -2.28 -0.31 0.00 0.00 -1.26 -4.88 120.51 112.44 2aiz n ALA 9 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2aiz n ALA 9 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2aiz n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiz n GLY 10 N 0.65 -2.92 3.64 0.00 0.00 -1.26 -4.87 105.19 100.43 2aiz n GLY 10 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 2aiz n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aiz s ASN 11 N -2.45 -0.85 0.00 1.61 4.22 -1.26 -5.00 114.94 111.21 2aiz s ASN 11 Ca 0.00 1.46 0.00 0.00 -2.14 0.00 0.00 52.86 52.18 2aiz s ASN 11 Cb 0.00 1.40 0.00 0.00 1.28 0.00 0.00 41.25 43.93 2aiz s ASN 11 CO 0.00 -0.24 0.00 0.61 -2.04 0.00 0.00 177.10 175.43 2aiz n GLY 12 N 3.64 -0.37 0.11 0.45 0.00 -1.26 -4.80 105.19 102.95 2aiz n GLY 12 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 0.22 -2.88 4.61 0.00 -2.03 -3.48 119.26 113.69 2aiz h ALA 13 Ca 0.00 -1.10 -0.35 0.00 0.00 0.00 0.00 54.91 53.47 2aiz h ALA 13 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2aiz h ALA 13 CO 0.00 0.71 -0.47 0.00 0.00 0.00 0.00 179.25 179.49 2aiz n ALA 14 N -3.13 -0.60 -2.90 0.00 0.00 -1.26 -5.00 120.51 107.61 2aiz n ALA 14 Ca -0.27 0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 2aiz n ALA 14 Cb 0.76 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 -5.06 3.25 0.31 0.00 1.11 -1.26 -4.96 119.66 113.05 2aiz s GLN 15 Ca 0.08 -0.77 -0.10 0.00 0.01 0.00 0.00 55.36 54.58 2aiz s GLN 15 Cb -0.03 -2.82 -0.07 0.00 -1.01 0.00 0.00 33.01 29.08 2aiz s GLN 15 CO 0.09 0.47 0.65 -0.08 0.01 0.00 0.00 175.29 176.43 2aiz s THR 16 N -1.87 4.86 -0.40 -0.19 -1.32 -1.26 -3.51 115.64 111.95 2aiz s THR 16 Ca 0.33 0.52 0.02 0.00 -1.21 0.00 0.00 61.69 61.36 2aiz s THR 16 Cb -0.10 -3.67 0.15 0.00 -1.51 0.00 0.00 72.50 67.37 2aiz s THR 16 CO 0.27 -0.27 0.28 -0.36 -2.21 0.00 0.00 174.62 172.33 2aiz s PHE 17 N -2.06 1.13 0.00 9.09 0.40 0.86 -4.87 117.98 122.53 2aiz s PHE 17 Ca 0.49 -2.06 0.00 0.00 -0.60 0.00 0.00 56.93 54.76 2aiz s PHE 17 Cb -0.11 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.33 2aiz s PHE 17 CO 0.25 -0.81 0.00 0.41 0.70 0.00 0.00 175.22 175.77 2aiz n GLY 18 N 3.42 0.00 0.00 4.36 0.00 -1.26 -4.15 105.19 107.56 2aiz n GLY 18 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.03 -0.79 2.35 -0.02 0.00 -1.26 -4.39 105.19 101.05 2aiz n GLY 19 Ca 0.00 0.84 0.16 0.00 0.00 0.00 0.00 46.02 47.02 2aiz n GLY 19 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2aiz n TYR 20 N 0.00 -3.36 -4.14 1.61 4.01 -1.26 -4.79 117.16 109.23 2aiz n TYR 20 Ca 0.00 1.48 -0.22 0.00 -0.16 0.00 0.00 57.90 59.00 2aiz n TYR 20 Cb 0.00 -2.70 -0.05 0.00 -0.31 0.00 0.00 39.34 36.28 2aiz n TYR 20 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2aiz s SER 21 N -6.58 5.22 0.23 7.72 1.04 -1.26 -0.10 113.70 119.97 2aiz s SER 21 Ca 0.00 -0.39 -0.15 0.00 0.48 0.00 0.00 55.95 55.89 2aiz s SER 21 Cb 0.00 -1.20 0.26 0.00 0.10 0.00 0.00 66.02 65.18 2aiz s SER 21 CO 0.00 -0.06 1.49 0.52 0.98 0.00 0.00 173.24 176.17 2aiz n VAL 22 N -1.11 -0.49 0.20 5.02 0.31 -1.23 0.11 118.33 121.14 2aiz n VAL 22 Ca -0.07 2.23 0.11 0.00 -0.01 0.00 0.00 64.34 66.60 2aiz n VAL 22 Cb 0.58 -2.97 0.57 0.00 -0.91 0.00 0.00 33.84 31.11 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 1.42 1.13 0.00 3.52 0.00 -1.94 0.15 119.26 123.53 2aiz h ALA 23 Ca 0.35 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.88 2aiz h ALA 23 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2aiz h ALA 23 CO -0.96 -0.13 -2.45 -0.25 0.00 0.00 0.00 179.25 175.47 2aiz n ASP 24 N -2.32 1.72 0.25 0.00 9.92 0.30 -4.06 116.55 122.35 2aiz n ASP 24 Ca -0.01 -0.11 0.13 0.00 -0.53 0.00 0.00 54.79 54.27 2aiz n ASP 24 Cb 0.20 -0.23 0.58 0.00 -0.64 0.00 0.00 41.12 41.02 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 0.00 0.00 0.00 0.64 3.38 0.24 1.34 115.31 120.91 2aiz h LEU 25 Ca -0.57 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.23 2aiz h LEU 25 Cb 1.95 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.67 2aiz h LEU 25 CO -0.07 0.13 -1.09 1.56 0.09 0.00 0.00 178.44 179.06 2aiz h GLN 26 N 0.00 0.00 0.00 1.13 4.20 -0.96 -3.42 115.11 116.06 2aiz h GLN 26 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aiz h GLN 26 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2aiz h GLN 26 CO 0.02 0.50 0.00 0.00 -0.67 0.00 0.00 178.83 178.67 2aiz n GLN 27 N -3.09 0.00 -0.01 1.46 -0.00 -1.16 -4.86 117.38 109.72 2aiz n GLN 27 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.94 2aiz n GLN 27 Cb 0.85 -0.32 -0.00 0.00 -0.00 0.00 0.00 30.24 30.77 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2aiz n ARG 28 N 0.00 0.06 -3.64 2.61 1.74 0.44 -4.76 116.66 113.12 2aiz n ARG 28 Ca 0.00 0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 2aiz n ARG 28 Cb 0.16 -0.46 -0.09 0.00 -1.02 0.00 0.00 32.46 31.05 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 -1.31 3.49 0.00 -1.55 2.02 -0.08 -4.76 117.35 115.16 2aiz s TYR 29 Ca -0.04 -2.27 0.00 0.00 -0.37 0.00 0.00 57.07 54.39 2aiz s TYR 29 Cb 0.00 -3.37 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 2aiz s TYR 29 CO 0.05 -0.94 0.76 0.27 -1.57 0.00 0.00 175.55 174.12 2aiz n ASN 30 N 4.33 -0.66 -4.03 2.29 2.04 -1.26 -4.59 115.26 113.38 2aiz n ASN 30 Ca 0.00 -1.52 -0.25 0.00 -0.44 0.00 0.00 54.58 52.37 2aiz n ASN 30 Cb 0.41 0.20 -0.17 0.00 -2.53 0.00 0.00 39.78 37.69 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2aiz s THR 31 N 0.00 1.18 0.11 5.53 2.01 -1.26 0.16 115.64 123.37 2aiz s THR 31 Ca 0.00 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.56 2aiz s THR 31 Cb 0.00 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2aiz s THR 31 CO 0.00 0.37 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.56 2aiz s VAL 32 N 0.69 3.71 -0.19 3.82 1.01 -0.93 -4.97 120.40 123.54 2aiz s VAL 32 Ca -0.14 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.68 2aiz s VAL 32 Cb -0.16 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2aiz s VAL 32 CO 0.04 0.08 -0.17 -0.31 0.00 0.00 0.00 175.10 174.73 2aiz s TYR 33 N -1.34 2.74 0.45 5.22 1.51 -1.26 -1.05 117.35 123.62 2aiz s TYR 33 Ca 0.24 -1.69 0.08 0.00 -1.01 0.00 0.00 57.07 54.69 2aiz s TYR 33 Cb -0.11 -1.86 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2aiz s TYR 33 CO 0.17 -0.80 0.58 -0.06 -1.11 0.00 0.00 175.55 174.33 2aiz s PHE 34 N 1.30 2.53 0.00 2.71 0.08 0.90 -4.92 117.98 120.58 2aiz s PHE 34 Ca 0.02 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.60 2aiz s PHE 34 Cb -0.14 -2.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 2aiz s PHE 34 CO -0.11 -0.51 0.00 0.41 -0.10 0.00 0.00 175.22 174.91 2aiz n GLY 35 N -1.88 2.93 3.65 4.36 0.00 -1.26 -4.63 105.19 108.36 2aiz n GLY 35 Ca 0.09 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.47 2.38 -2.35 1.61 7.35 -1.26 -2.09 117.46 122.62 2aiz n PHE 36 Ca 0.00 -0.31 -0.06 0.00 -0.76 0.00 0.00 57.45 56.32 2aiz n PHE 36 Cb 0.00 -2.78 -0.00 0.00 0.35 0.00 0.00 39.48 37.04 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 8.47 -2.27 -4.74 -2.13 2.03 -1.26 -4.89 116.55 111.76 2aiz n ASP 37 Ca 0.23 0.34 -0.37 0.00 0.52 0.00 0.00 54.79 55.50 2aiz n ASP 37 Cb 0.41 -2.04 -0.07 0.00 -0.72 0.00 0.00 41.12 38.70 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 -4.77 4.24 -0.63 -0.67 -0.14 -0.89 -5.01 119.74 111.86 2aiz s LYS 38 Ca 0.00 0.21 0.06 0.00 -1.36 0.00 0.00 55.97 54.88 2aiz s LYS 38 Cb 0.00 -3.41 0.28 0.00 -1.68 0.00 0.00 37.83 33.02 2aiz s LYS 38 CO 0.00 0.25 0.83 0.98 -0.76 0.00 0.00 175.35 176.65 2aiz n TYR 39 N 3.46 3.76 -3.70 3.18 9.36 -1.26 -4.38 117.16 127.58 2aiz n TYR 39 Ca -0.11 -4.08 -0.14 0.00 3.32 0.00 0.00 57.90 56.89 2aiz n TYR 39 Cb 0.52 -0.55 -0.08 0.00 -0.63 0.00 0.00 39.34 38.60 2aiz n TYR 39 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2aiz s ASP 40 N -2.76 -0.30 0.20 2.98 1.01 -1.26 -4.99 116.67 111.56 2aiz s ASP 40 Ca 0.42 0.20 0.07 0.00 0.71 0.00 0.00 52.55 53.95 2aiz s ASP 40 Cb 0.19 0.37 -0.04 0.00 1.01 0.00 0.00 42.92 44.45 2aiz s ASP 40 CO -0.05 -0.51 0.10 -0.63 0.21 0.00 0.00 175.17 174.29 2aiz s ILE 41 N -1.47 4.15 0.10 0.77 1.01 -1.26 -4.83 121.20 119.67 2aiz s ILE 41 Ca -0.12 -1.36 0.05 0.00 0.00 0.00 0.00 60.65 59.23 2aiz s ILE 41 Cb -0.03 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2aiz s ILE 41 CO 0.05 -0.21 -0.02 0.42 0.00 0.00 0.00 174.94 175.17 2aiz s THR 42 N -1.92 3.85 0.51 2.92 -4.23 -1.26 -5.00 115.64 110.51 2aiz s THR 42 Ca 0.31 -1.07 0.32 0.00 -1.18 0.00 0.00 61.69 60.06 2aiz s THR 42 Cb -0.09 -2.83 0.51 0.00 1.34 0.00 0.00 72.50 71.43 2aiz s THR 42 CO 0.22 0.11 1.82 1.23 -0.54 0.00 0.00 174.62 177.46 2aiz h GLY 43 N 3.45 0.24 1.91 3.99 0.00 -2.00 0.29 103.07 110.95 2aiz h GLY 43 Ca -0.48 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 2aiz h GLY 43 CO 0.58 -0.03 -0.15 -2.09 0.00 0.00 0.00 176.54 174.85 2aiz h GLU 44 N 0.08 0.11 -0.02 4.80 4.57 -2.05 -2.52 114.58 119.55 2aiz h GLU 44 Ca 0.54 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 2aiz h GLU 44 Cb 2.00 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 2aiz h GLU 44 CO -0.06 0.26 -0.45 0.66 -1.18 0.00 0.00 179.01 178.23 2aiz n TYR 45 N -4.31 0.00 -0.24 0.92 4.01 0.96 -4.42 117.16 114.08 2aiz n TYR 45 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.66 2aiz n TYR 45 Cb 0.25 -0.00 0.04 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 2.50 1.23 -0.88 -0.72 2.07 -0.90 -3.04 116.25 116.50 2aiz h VAL 46 Ca 0.00 -0.70 0.24 0.00 0.82 0.00 0.00 66.70 67.06 2aiz h VAL 46 Cb 0.76 0.45 -0.15 0.00 -1.52 0.00 0.00 31.29 30.83 2aiz h VAL 46 CO 0.00 0.28 0.16 0.06 0.02 0.00 0.00 177.57 178.09 2aiz h GLN 47 N 0.94 0.14 -0.39 1.57 -0.00 -1.77 0.22 115.11 115.81 2aiz h GLN 47 Ca 0.23 -0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.95 2aiz h GLN 47 Cb 0.16 -0.03 -0.07 0.00 -0.00 0.00 0.00 27.48 27.54 2aiz h GLN 47 CO -0.02 0.09 -0.07 0.82 -0.00 0.00 0.00 178.83 179.65 2aiz h ILE 48 N 0.14 0.63 -0.63 1.86 2.04 -1.85 0.16 117.51 119.87 2aiz h ILE 48 Ca 0.54 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.49 2aiz h ILE 48 Cb 1.10 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 2aiz h ILE 48 CO -0.72 0.01 0.25 -0.07 0.00 0.00 0.00 178.15 177.62 2aiz h LEU 49 N 0.03 0.27 -0.75 1.44 -0.00 -0.69 0.87 115.31 116.48 2aiz h LEU 49 Ca 0.19 0.07 -0.05 0.00 -0.00 0.00 0.00 57.88 58.09 2aiz h LEU 49 Cb 0.29 0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 2aiz h LEU 49 CO -0.38 0.16 0.26 0.44 -0.00 0.00 0.00 178.44 178.92 2aiz h ASP 50 N 0.45 1.07 -0.15 -0.43 3.32 -0.69 0.59 116.42 120.58 2aiz h ASP 50 Ca 0.31 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2aiz h ASP 50 Cb 0.37 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2aiz h ASP 50 CO -0.30 0.98 -0.10 0.00 -1.72 0.00 0.00 179.24 178.11 2aiz h ALA 51 N 1.13 0.21 -0.42 3.45 0.00 0.65 -2.19 119.26 122.09 2aiz h ALA 51 Ca 0.24 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2aiz h ALA 51 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2aiz h ALA 51 CO -0.01 0.04 -0.18 0.45 0.00 0.00 0.00 179.25 179.55 2aiz h HIS 52 N -0.02 0.99 -0.63 0.00 3.86 0.85 -2.48 115.15 117.71 2aiz h HIS 52 Ca 0.03 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 2aiz h HIS 52 Cb 0.59 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 2aiz h HIS 52 CO 0.07 1.01 0.34 0.00 0.86 0.00 0.00 177.93 180.21 2aiz h ALA 53 N 0.83 0.81 -0.70 2.45 0.00 0.16 0.43 119.26 123.24 2aiz h ALA 53 Ca 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2aiz h ALA 53 Cb 0.74 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2aiz h ALA 53 CO 0.06 0.33 0.15 0.00 0.00 0.00 0.00 179.25 179.79 2aiz h ALA 54 N 1.16 0.95 -0.11 0.00 0.00 -1.36 -2.11 119.26 117.78 2aiz h ALA 54 Ca 0.22 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2aiz h ALA 54 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2aiz h ALA 54 CO -0.03 0.67 -0.74 -0.92 0.00 0.00 0.00 179.25 178.22 2aiz h TYR 55 N 1.07 0.75 -0.21 0.00 3.20 -1.08 -2.13 116.97 118.56 2aiz h TYR 55 Ca 0.22 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2aiz h TYR 55 Cb 0.39 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2aiz h TYR 55 CO 0.03 1.11 0.14 1.25 -1.64 0.00 0.00 178.16 179.05 2aiz h LEU 56 N 0.38 0.24 -0.34 2.82 5.85 0.08 -2.45 115.31 121.89 2aiz h LEU 56 Ca -0.04 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 2aiz h LEU 56 Cb 1.34 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2aiz h LEU 56 CO 0.14 0.18 -0.15 -1.13 -0.34 0.00 0.00 178.44 177.13 2aiz h ASN 57 N 0.29 0.72 -0.41 1.25 -1.24 -1.43 -2.89 115.58 111.86 2aiz h ASN 57 Ca 0.08 -0.40 0.12 0.00 0.71 0.00 0.00 56.30 56.80 2aiz h ASN 57 Cb -0.03 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.80 2aiz h ASN 57 CO -0.02 0.96 0.41 0.00 -1.29 0.00 0.00 177.43 177.49 2aiz h ALA 58 N 0.78 2.14 -3.34 1.57 0.00 -1.17 -3.36 119.26 115.88 2aiz h ALA 58 Ca 0.08 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.30 2aiz h ALA 58 Cb 0.69 0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.19 2aiz h ALA 58 CO 0.05 -0.62 -0.73 0.95 0.00 0.00 0.00 179.25 178.90 2aiz s THR 59 N -4.68 2.94 0.15 0.00 -4.23 -0.94 -5.02 115.64 103.86 2aiz s THR 59 Ca -0.04 -1.12 -0.18 0.00 -1.18 0.00 0.00 61.69 59.17 2aiz s THR 59 Cb 0.16 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.47 2aiz s THR 59 CO 0.58 0.10 1.71 -0.65 -0.54 0.00 0.00 174.62 175.82 2aiz h PRO 60 N 8.01 0.09 -0.68 3.99 0.11 -1.78 -2.21 132.00 139.54 2aiz h PRO 60 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2aiz h PRO 60 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2aiz h PRO 60 CO 0.56 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 2aiz n ALA 61 N -2.45 3.10 -2.57 -0.75 0.00 -1.26 -4.85 120.51 111.72 2aiz n ALA 61 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 2aiz n ALA 61 Cb 0.16 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.88 3.45 -0.09 0.00 0.00 -0.83 -5.04 121.76 117.37 2aiz s ALA 62 Ca 0.31 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2aiz s ALA 62 Cb 0.22 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 2aiz s ALA 62 CO 0.12 -1.36 -0.20 0.15 0.00 0.00 0.00 175.76 174.47 2aiz s LYS 63 N 2.76 2.89 -0.04 0.00 3.01 -1.26 -4.82 119.74 122.29 2aiz s LYS 63 Ca 0.25 -0.80 -0.06 0.00 -1.01 0.00 0.00 55.97 54.35 2aiz s LYS 63 Cb -0.14 -2.36 -0.04 0.00 -1.01 0.00 0.00 37.83 34.27 2aiz s LYS 63 CO 0.15 0.33 0.21 0.54 0.51 0.00 0.00 175.35 177.09 2aiz s VAL 64 N -0.01 5.40 -0.39 3.17 0.11 0.19 -4.82 120.40 124.05 2aiz s VAL 64 Ca -0.06 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.06 2aiz s VAL 64 Cb -0.15 -3.51 0.10 0.00 -1.53 0.00 0.00 36.38 31.29 2aiz s VAL 64 CO 0.05 0.44 0.17 -0.22 -3.33 0.00 0.00 175.10 172.21 2aiz s LEU 65 N -1.57 5.08 -0.56 2.54 0.20 0.33 -0.94 118.68 123.76 2aiz s LEU 65 Ca 0.24 -1.95 -0.28 0.00 0.69 0.00 0.00 54.13 52.83 2aiz s LEU 65 Cb -0.13 -1.81 0.03 0.00 -0.43 0.00 0.00 46.19 43.85 2aiz s LEU 65 CO 0.13 -0.50 1.18 -0.69 -0.29 0.00 0.00 176.35 176.18 2aiz s VAL 66 N 1.14 4.05 -0.29 1.68 1.01 -0.86 0.11 120.40 127.25 2aiz s VAL 66 Ca 0.07 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 2aiz s VAL 66 Cb -0.22 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.41 2aiz s VAL 66 CO -0.04 -1.28 0.19 -0.70 0.00 0.00 0.00 175.10 173.26 2aiz s GLU 67 N 4.85 3.86 0.01 2.72 2.12 -0.85 -0.07 118.70 131.35 2aiz s GLU 67 Ca 0.44 -0.38 -0.08 0.00 0.36 0.00 0.00 54.97 55.31 2aiz s GLU 67 Cb -0.07 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 2aiz s GLU 67 CO 0.26 -0.22 0.30 0.20 -0.54 0.00 0.00 175.26 175.27 2aiz s GLY 68 N 1.74 2.28 -0.26 -1.50 0.00 0.18 0.11 107.32 109.87 2aiz s GLY 68 Ca 0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.23 2aiz s GLY 68 CO 0.10 -0.30 0.12 -1.31 0.00 0.00 0.00 173.10 171.72 2aiz s ASN 69 N -1.62 3.20 0.25 1.64 0.01 0.38 -1.91 114.94 116.89 2aiz s ASN 69 Ca 0.27 -1.11 0.00 0.00 -0.71 0.00 0.00 52.86 51.31 2aiz s ASN 69 Cb -0.14 -0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.22 2aiz s ASN 69 CO 0.15 -0.42 0.00 0.35 -1.51 0.00 0.00 177.10 175.68 2aiz n THR 70 N 5.26 0.00 -1.64 1.60 -2.24 -1.26 0.03 114.28 116.04 2aiz n THR 70 Ca -0.06 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 2aiz n THR 70 Cb 0.44 -1.25 0.05 0.00 -2.10 0.00 0.00 70.33 67.47 2aiz n THR 70 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2aiz s ASP 71 N -1.00 5.30 0.18 3.42 -4.77 -1.26 -4.56 116.67 113.98 2aiz s ASP 71 Ca 0.00 1.72 0.01 0.00 -3.30 0.00 0.00 52.55 50.98 2aiz s ASP 71 Cb 0.00 -2.51 0.05 0.00 -1.09 0.00 0.00 42.92 39.37 2aiz s ASP 71 CO 0.00 -1.49 1.42 1.05 0.70 0.00 0.00 175.17 176.84 2aiz h GLU 72 N -0.48 0.30 -6.05 2.11 -0.00 -1.93 -3.34 114.58 105.19 2aiz h GLU 72 Ca -0.45 -0.28 -0.77 0.00 -0.00 0.00 0.00 59.36 57.87 2aiz h GLU 72 Cb 1.22 0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 30.03 2aiz h GLU 72 CO 0.56 0.95 1.03 0.54 -0.00 0.00 0.00 179.01 182.09 2aiz n ARG 73 N -3.77 0.64 0.00 1.06 5.12 -1.26 -4.41 116.66 114.04 2aiz n ARG 73 Ca -0.04 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2aiz n ARG 73 Cb 0.74 -1.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 2aiz n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2aiz n GLY 74 N 5.26 -0.32 3.82 -0.13 0.00 -1.26 -4.93 105.19 107.63 2aiz n GLY 74 Ca 0.36 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 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 0.48 2.61 -4.23 -1.26 -4.86 115.64 113.24 2aiz s THR 75 Ca 0.00 -0.52 0.21 0.00 -1.18 0.00 0.00 61.69 60.20 2aiz s THR 75 Cb 0.00 -3.30 0.37 0.00 1.34 0.00 0.00 72.50 70.91 2aiz s THR 75 CO 0.00 0.22 1.97 -0.65 -0.54 0.00 0.00 174.62 175.62 2aiz h PRO 76 N 3.56 0.18 -0.37 3.99 0.11 -1.91 -0.01 132.00 137.55 2aiz h PRO 76 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2aiz h PRO 76 Cb 1.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2aiz h PRO 76 CO 0.67 0.12 -0.09 0.93 -0.21 0.00 0.00 178.00 179.42 2aiz h GLU 77 N 0.19 0.73 -0.12 1.05 4.39 -1.94 0.24 114.58 119.10 2aiz h GLU 77 Ca 0.29 -0.28 -0.23 0.00 0.34 0.00 0.00 59.36 59.48 2aiz h GLU 77 Cb 0.90 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2aiz h GLU 77 CO -0.05 0.87 -0.83 -0.92 -1.16 0.00 0.00 179.01 176.93 2aiz h TYR 78 N 0.53 1.05 0.00 4.33 5.03 -1.70 -2.65 116.97 123.56 2aiz h TYR 78 Ca 0.09 -0.48 0.00 0.00 2.58 0.00 0.00 58.73 60.92 2aiz h TYR 78 Cb 0.61 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.73 2aiz h TYR 78 CO 0.05 1.32 0.00 0.09 -1.32 0.00 0.00 178.16 178.30 2aiz n ASN 79 N -3.92 0.00 -0.24 -2.11 4.13 -0.12 -1.58 115.26 111.43 2aiz n ASN 79 Ca -0.08 0.47 0.23 0.00 1.68 0.00 0.00 54.58 56.88 2aiz n ASN 79 Cb 0.77 -0.17 0.41 0.00 -1.54 0.00 0.00 39.78 39.25 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 -1.00 -0.24 0.18 2.41 3.06 0.82 0.83 119.36 125.43 2aiz n ILE 80 Ca 0.00 1.29 -0.12 0.00 -2.50 0.00 0.00 62.75 61.42 2aiz n ILE 80 Cb 0.00 -2.10 -0.07 0.00 0.54 0.00 0.00 39.64 38.02 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 1.23 -0.51 -0.84 1.51 0.00 -1.49 1.21 119.26 120.36 2aiz h ALA 81 Ca 0.56 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.38 2aiz h ALA 81 Cb 1.60 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.52 2aiz h ALA 81 CO -0.44 -0.56 0.49 1.25 0.00 0.00 0.00 179.25 179.99 2aiz h LEU 82 N -0.97 0.71 -0.55 0.00 7.12 0.15 0.31 115.31 122.08 2aiz h LEU 82 Ca -0.05 0.04 -0.10 0.00 0.13 0.00 0.00 57.88 57.90 2aiz h LEU 82 Cb 0.54 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2aiz h LEU 82 CO 0.09 0.41 -0.06 1.23 -0.13 0.00 0.00 178.44 179.98 2aiz h GLY 83 N 0.83 1.09 0.26 3.75 0.00 -0.15 -2.70 103.07 106.16 2aiz h GLY 83 Ca 0.40 -0.85 0.13 0.00 0.00 0.00 0.00 47.33 47.01 2aiz h GLY 83 CO -0.24 0.78 0.37 1.46 0.00 0.00 0.00 176.54 178.91 2aiz h GLN 84 N 0.89 0.54 -0.48 4.80 4.20 0.35 0.46 115.11 125.87 2aiz h GLN 84 Ca 0.15 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2aiz h GLN 84 Cb 0.62 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2aiz h GLN 84 CO 0.04 0.36 0.13 0.07 -0.67 0.00 0.00 178.83 178.76 2aiz h ARG 85 N 0.55 0.71 -0.36 1.46 -0.00 -0.89 0.17 114.38 116.02 2aiz h ARG 85 Ca 0.42 -0.13 -0.04 0.00 -0.00 0.00 0.00 59.98 60.23 2aiz h ARG 85 Cb 0.57 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 30.41 2aiz h ARG 85 CO -0.35 0.63 0.06 0.00 -0.00 0.00 0.00 179.97 180.31 2aiz h ARG 86 N 0.69 0.60 -0.76 0.08 -0.00 -0.10 -0.46 114.38 114.43 2aiz h ARG 86 Ca 0.16 -0.16 0.06 0.00 -0.50 0.00 0.00 59.98 59.53 2aiz h ARG 86 Cb 0.23 -0.07 -0.05 0.00 0.00 0.00 0.00 29.97 30.09 2aiz h ARG 86 CO -0.01 0.67 0.50 0.00 0.00 0.00 0.00 179.97 181.14 2aiz h ALA 87 N 0.91 1.64 0.00 0.04 0.00 0.59 0.41 119.26 122.84 2aiz h ALA 87 Ca 0.11 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2aiz h ALA 87 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2aiz h ALA 87 CO 0.01 0.25 -0.34 -0.44 0.00 0.00 0.00 179.25 178.73 2aiz h ASP 88 N 0.83 0.00 0.31 0.00 5.19 0.01 -1.19 116.42 121.57 2aiz h ASP 88 Ca 0.32 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 2aiz h ASP 88 Cb 0.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 2aiz h ASP 88 CO -0.11 0.34 -0.18 0.00 -3.12 0.00 0.00 179.24 176.17 2aiz h ALA 89 N 1.66 -1.06 -0.41 3.45 0.00 0.15 0.40 119.26 123.45 2aiz h ALA 89 Ca -0.00 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2aiz h ALA 89 Cb 0.64 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2aiz h ALA 89 CO 0.04 -1.04 0.29 0.28 0.00 0.00 0.00 179.25 178.82 2aiz h VAL 90 N -0.46 0.89 -0.23 0.00 2.07 -1.47 -0.85 116.25 116.21 2aiz h VAL 90 Ca -0.04 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2aiz h VAL 90 Cb 0.36 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2aiz h VAL 90 CO 0.05 0.04 0.14 0.50 0.02 0.00 0.00 177.57 178.31 2aiz h LYS 91 N 0.21 0.31 0.00 1.57 1.63 -0.76 -2.02 116.57 117.50 2aiz h LYS 91 Ca 0.19 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2aiz h LYS 91 Cb 0.49 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2aiz h LYS 91 CO -0.03 0.25 0.00 0.78 -3.45 0.00 0.00 179.45 177.00 2aiz h GLY 92 N 0.28 0.00 0.54 5.01 0.00 0.11 -2.27 103.07 106.74 2aiz h GLY 92 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2aiz h GLY 92 CO -0.02 0.00 -0.26 -1.82 0.00 0.00 0.00 176.54 174.45 2aiz h TYR 93 N 0.00 -0.67 -0.39 5.60 5.03 -0.54 0.30 116.97 126.29 2aiz h TYR 93 Ca 0.00 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.38 2aiz h TYR 93 Cb 0.62 0.22 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 2aiz h TYR 93 CO 0.00 -0.42 0.27 -0.07 -1.32 0.00 0.00 178.16 176.62 2aiz h LEU 94 N -1.08 0.13 -0.64 2.82 3.38 -1.44 0.22 115.31 118.70 2aiz h LEU 94 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2aiz h LEU 94 Cb 0.56 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2aiz h LEU 94 CO 0.12 0.08 -0.18 0.00 0.09 0.00 0.00 178.44 178.55 2aiz h ALA 95 N 1.80 0.83 -0.98 1.53 0.00 -1.26 -2.28 119.26 118.91 2aiz h ALA 95 Ca 0.18 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2aiz h ALA 95 Cb 0.52 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2aiz h ALA 95 CO -0.03 0.65 0.64 0.78 0.00 0.00 0.00 179.25 181.29 2aiz h GLY 96 N 0.94 1.41 1.49 0.00 0.00 0.30 -0.22 103.07 106.98 2aiz h GLY 96 Ca 0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2aiz h GLY 96 CO 0.06 0.44 0.28 0.50 0.00 0.00 0.00 176.54 177.82 2aiz h LYS 97 N 1.26 0.68 0.00 4.80 1.79 -1.20 -3.46 116.57 120.44 2aiz h LYS 97 Ca 0.38 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2aiz h LYS 97 Cb -0.04 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 2aiz h LYS 97 CO -0.11 0.49 0.00 0.41 -1.08 0.00 0.00 179.45 179.17 2aiz n GLY 98 N -1.33 1.91 3.83 3.86 0.00 -0.09 -5.13 105.19 108.24 2aiz n GLY 98 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2aiz n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aiz s VAL 99 N -1.91 4.82 0.96 1.61 1.01 -0.88 -5.02 120.40 120.99 2aiz s VAL 99 Ca 0.00 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 2aiz s VAL 99 Cb 0.00 -3.78 0.17 0.00 0.00 0.00 0.00 36.38 32.77 2aiz s VAL 99 CO 0.00 0.34 1.09 -1.81 0.00 0.00 0.00 175.10 174.71 2aiz s ASP 100 N -1.53 2.81 -0.04 3.32 1.01 -1.26 -4.41 116.67 116.57 2aiz s ASP 100 Ca 0.35 1.61 0.13 0.00 0.71 0.00 0.00 52.55 55.34 2aiz s ASP 100 Cb -0.16 -2.26 -0.23 0.00 1.01 0.00 0.00 42.92 41.28 2aiz s ASP 100 CO 0.19 -3.07 0.67 0.00 0.21 0.00 0.00 175.17 173.17 2aiz n ALA 101 N -4.18 1.50 0.07 5.23 0.00 -1.26 -3.42 120.51 118.45 2aiz n ALA 101 Ca 0.07 -0.76 0.17 0.00 0.00 0.00 0.00 53.44 52.93 2aiz n ALA 101 Cb 0.54 -0.86 0.69 0.00 0.00 0.00 0.00 19.45 19.82 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 3.51 0.00 -0.93 0.00 0.00 -2.01 0.16 103.07 103.79 2aiz h GLY 102 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2aiz h GLY 102 CO 0.08 0.00 -0.46 0.58 0.00 0.00 0.00 176.54 176.74 2aiz n LYS 103 N -4.37 1.29 -3.84 4.80 2.85 -1.26 -4.87 118.16 112.77 2aiz n LYS 103 Ca 0.06 -0.95 -0.36 0.00 -1.05 0.00 0.00 58.31 56.02 2aiz n LYS 103 Cb 0.48 -1.44 -0.13 0.00 -0.65 0.00 0.00 35.03 33.29 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 -2.40 3.38 0.42 -5.58 1.43 0.57 0.56 118.68 117.06 2aiz s LEU 104 Ca 0.17 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2aiz s LEU 104 Cb 0.17 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2aiz s LEU 104 CO 0.54 -0.01 0.13 -0.83 0.23 0.00 0.00 176.35 176.42 2aiz s GLY 105 N 1.43 2.66 0.15 -3.19 0.00 -0.12 -4.78 107.32 103.47 2aiz s GLY 105 Ca 0.05 -1.18 -0.12 0.00 0.00 0.00 0.00 44.72 43.48 2aiz s GLY 105 CO 0.03 -1.85 0.33 -0.51 0.00 0.00 0.00 173.10 171.10 2aiz s THR 106 N -3.18 0.07 0.15 0.90 -4.23 -1.26 -2.04 115.64 106.06 2aiz s THR 106 Ca 0.23 -1.11 -0.23 0.00 -1.18 0.00 0.00 61.69 59.39 2aiz s THR 106 Cb 0.02 -1.60 0.07 0.00 1.34 0.00 0.00 72.50 72.33 2aiz s THR 106 CO 0.14 -0.33 0.65 -0.69 -0.54 0.00 0.00 174.62 173.85 2aiz s VAL 107 N -3.91 0.00 -0.28 2.29 1.01 0.90 -4.84 120.40 115.58 2aiz s VAL 107 Ca 0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 2aiz s VAL 107 Cb 0.02 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.37 2aiz s VAL 107 CO -0.04 0.00 0.68 -0.55 0.00 0.00 0.00 175.10 175.18 2aiz s SER 108 N -2.74 -0.95 -0.09 3.32 0.15 -1.26 0.50 113.70 112.63 2aiz s SER 108 Ca 0.03 1.50 -0.05 0.00 0.70 0.00 0.00 55.95 58.12 2aiz s SER 108 Cb -0.02 1.45 -0.02 0.00 -1.71 0.00 0.00 66.02 65.73 2aiz s SER 108 CO -0.10 -0.24 -0.10 1.88 1.20 0.00 0.00 173.24 175.88 2aiz h TYR 109 N 7.10 0.00 0.00 3.44 0.05 -1.75 -3.45 116.97 122.36 2aiz h TYR 109 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2aiz h TYR 109 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 2aiz h TYR 109 CO 0.07 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.59 2aiz n GLY 110 N 1.68 0.70 0.70 3.88 0.00 -1.26 -2.88 105.19 108.02 2aiz n GLY 110 Ca -0.04 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 11.33 1.94 0.11 1.61 -0.00 -1.25 -4.37 120.64 130.00 2aiz n GLU 111 Ca 0.00 -1.40 -0.07 0.00 -0.00 0.00 0.00 57.16 55.69 2aiz n GLU 111 Cb 0.00 -1.45 -0.04 0.00 -0.00 0.00 0.00 31.44 29.95 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 3.04 -0.37 -2.48 3.44 4.57 -1.87 -3.41 114.58 117.50 2aiz h GLU 112 Ca 0.00 0.03 -0.55 0.00 -1.18 0.00 0.00 59.36 57.65 2aiz h GLU 112 Cb 0.66 0.08 -0.38 0.00 -0.16 0.00 0.00 28.75 28.95 2aiz h GLU 112 CO 0.00 -0.25 -0.84 0.21 -1.18 0.00 0.00 179.01 176.95 2aiz s LYS 113 N -4.10 0.59 1.01 1.92 2.47 -1.26 -5.10 119.74 115.27 2aiz s LYS 113 Ca -0.07 -1.35 -0.12 0.00 -1.56 0.00 0.00 55.97 52.88 2aiz s LYS 113 Cb 0.02 -1.23 0.20 0.00 -1.46 0.00 0.00 37.83 35.35 2aiz s LYS 113 CO 0.23 -1.23 1.08 -2.14 0.16 0.00 0.00 175.35 173.46 2aiz s PRO 114 N 1.01 0.30 -0.19 4.03 0.02 -1.26 -4.92 135.00 133.99 2aiz s PRO 114 Ca 0.19 0.98 -0.17 0.00 0.02 0.00 0.00 61.00 62.02 2aiz s PRO 114 Cb -0.19 -1.69 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 2aiz s PRO 114 CO -0.01 -2.94 -0.34 0.00 -0.33 0.00 0.00 177.00 173.37 2aiz n ALA 115 N -4.39 0.91 -2.39 -1.55 0.00 -1.26 -4.98 120.51 106.85 2aiz n ALA 115 Ca 0.06 -0.85 -0.37 0.00 0.00 0.00 0.00 53.44 52.29 2aiz n ALA 115 Cb 0.54 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.82 4.89 -0.06 0.00 0.11 -1.26 -5.08 120.40 116.19 2aiz s VAL 116 Ca -0.30 0.88 -0.11 0.00 -2.93 0.00 0.00 61.98 59.51 2aiz s VAL 116 Cb 0.06 -3.76 -0.05 0.00 -1.53 0.00 0.00 36.38 31.10 2aiz s VAL 116 CO 0.43 0.39 0.29 -0.76 -3.33 0.00 0.00 175.10 172.12 2aiz s LEU 117 N -1.58 4.43 0.00 2.54 1.43 -1.26 -4.98 118.68 119.26 2aiz s LEU 117 Ca 0.32 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 2aiz s LEU 117 Cb -0.16 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2aiz s LEU 117 CO 0.18 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.73 2aiz n GLY 118 N 1.92 1.51 2.23 -3.19 0.00 -1.26 -4.89 105.19 101.51 2aiz n GLY 118 Ca -0.17 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.84 -0.47 -3.99 1.61 1.44 -1.26 -4.70 115.22 107.02 2aiz n HIS 119 Ca 0.00 -3.49 -0.09 0.00 -2.01 0.00 0.00 57.72 52.13 2aiz n HIS 119 Cb 0.00 -0.24 -0.10 0.00 0.12 0.00 0.00 29.99 29.77 2aiz n HIS 119 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2aiz s ASP 120 N -1.41 0.27 0.55 4.39 2.15 -1.26 -4.94 116.67 116.42 2aiz s ASP 120 Ca 0.35 -0.61 0.49 0.00 0.43 0.00 0.00 52.55 53.22 2aiz s ASP 120 Cb 0.20 0.16 1.73 0.00 -0.30 0.00 0.00 42.92 44.72 2aiz s ASP 120 CO -0.11 -0.43 1.58 -0.08 -0.17 0.00 0.00 175.17 175.96 2aiz h GLU 121 N 4.01 0.00 0.28 4.34 4.57 -1.99 0.87 114.58 126.66 2aiz h GLU 121 Ca -0.33 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.84 2aiz h GLU 121 Cb 1.19 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2aiz h GLU 121 CO 0.49 0.00 -0.14 0.00 -1.18 0.00 0.00 179.01 178.19 2aiz h ALA 122 N 1.05 -0.72 -0.42 2.92 0.00 -1.98 -1.59 119.26 118.51 2aiz h ALA 122 Ca 0.93 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.64 2aiz h ALA 122 Cb 3.70 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 21.63 2aiz h ALA 122 CO -0.03 -0.70 -0.18 0.00 0.00 0.00 0.00 179.25 178.34 2aiz h ALA 123 N -1.66 0.59 -0.04 0.00 0.00 -1.44 -2.42 119.26 114.29 2aiz h ALA 123 Ca -0.04 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.54 2aiz h ALA 123 Cb 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2aiz h ALA 123 CO 0.06 0.54 -0.20 1.88 0.00 0.00 0.00 179.25 181.53 2aiz h TYR 124 N 0.69 -0.52 -0.77 0.00 0.05 0.56 -0.47 116.97 116.52 2aiz h TYR 124 Ca 0.10 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.93 2aiz h TYR 124 Cb 0.74 0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.67 2aiz h TYR 124 CO 0.05 -0.28 0.51 0.66 -1.05 0.00 0.00 178.16 178.05 2aiz h SER 125 N -0.30 0.82 -0.08 3.88 4.64 -1.28 0.63 113.55 121.86 2aiz h SER 125 Ca 0.07 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 2aiz h SER 125 Cb 0.40 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2aiz h SER 125 CO -0.22 0.57 0.02 0.11 -0.87 0.00 0.00 176.83 176.45 2aiz h LYS 126 N 0.96 0.21 0.09 4.77 1.57 -0.72 -2.61 116.57 120.84 2aiz h LYS 126 Ca 0.30 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.77 2aiz h LYS 126 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2aiz h LYS 126 CO -0.08 0.21 -1.48 -0.91 -0.57 0.00 0.00 179.45 176.62 2aiz h ASN 127 N 0.21 0.29 -0.41 0.86 2.35 0.53 -3.42 115.58 115.99 2aiz h ASN 127 Ca 0.05 -0.40 -0.32 0.00 -0.55 0.00 0.00 56.30 55.08 2aiz h ASN 127 Cb 0.12 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2aiz h ASN 127 CO -0.00 1.34 1.03 0.54 -1.65 0.00 0.00 177.43 178.69 2aiz n ARG 128 N -3.39 1.48 -3.74 0.81 1.74 0.02 -4.02 116.66 109.56 2aiz n ARG 128 Ca -0.14 -2.39 -0.14 0.00 -0.77 0.00 0.00 57.85 54.41 2aiz n ARG 128 Cb 1.03 -3.72 -0.08 0.00 -1.02 0.00 0.00 32.46 28.66 2aiz n ARG 128 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2aiz s ARG 129 N 6.58 0.70 -0.37 5.56 1.70 0.10 -0.07 118.95 133.15 2aiz s ARG 129 Ca 0.69 -0.13 0.04 0.00 -0.47 0.00 0.00 55.73 55.85 2aiz s ARG 129 Cb -0.00 0.31 0.11 0.00 -0.57 0.00 0.00 34.95 34.80 2aiz s ARG 129 CO 0.14 -0.19 0.09 0.00 -1.08 0.00 0.00 175.30 174.25 2aiz s ALA 130 N -1.28 2.97 -0.33 7.88 0.00 -0.22 0.14 121.76 130.93 2aiz s ALA 130 Ca -0.13 -2.65 -0.26 0.00 0.00 0.00 0.00 51.96 48.92 2aiz s ALA 130 Cb -0.05 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2aiz s ALA 130 CO 0.05 -1.74 0.92 0.08 0.00 0.00 0.00 175.76 175.06 2aiz s VAL 131 N 0.73 4.64 -0.47 0.00 1.01 0.29 -2.20 120.40 124.40 2aiz s VAL 131 Ca 0.12 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 2aiz s VAL 131 Cb -0.20 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2aiz s VAL 131 CO -0.07 -0.41 2.06 -0.76 0.00 0.00 0.00 175.10 175.92 2aiz s LEU 132 N 3.33 3.39 -0.21 3.92 2.01 0.43 -2.01 118.68 129.54 2aiz s LEU 132 Ca 0.38 0.93 -0.11 0.00 0.01 0.00 0.00 54.13 55.35 2aiz s LEU 132 Cb -0.13 -2.83 -0.05 0.00 0.01 0.00 0.00 46.19 43.19 2aiz s LEU 132 CO 0.15 -2.36 0.16 0.00 1.01 0.00 0.00 176.35 175.32 2aiz s ALA 133 N 9.53 3.66 -2.56 4.21 0.00 0.31 -4.85 121.76 132.06 2aiz s ALA 133 Ca 0.83 -0.71 0.28 0.00 0.00 0.00 0.00 51.96 52.35 2aiz s ALA 133 Cb -0.18 -2.24 0.95 0.00 0.00 0.00 0.00 23.12 21.65 2aiz s ALA 133 CO 0.27 0.05 1.69 0.66 0.00 0.00 0.00 175.76 178.42