#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 1.64 -3.86 0.00 3.41 -1.26 -4.73 113.62 108.82 2aiz n SER 2 Ca 0.00 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.46 2aiz n SER 2 Cb 0.00 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 63.30 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 -4.10 5.93 -0.00 4.04 2.88 -1.26 -4.63 113.62 116.47 2aiz n SER 3 Ca -0.30 -3.25 -0.17 0.00 -1.33 0.00 0.00 58.87 53.83 2aiz n SER 3 Cb 0.64 -1.38 -0.14 0.00 -0.75 0.00 0.00 64.21 62.58 2aiz n SER 3 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2aiz n SER 4 N 2.59 1.68 -3.69 -3.46 7.64 -1.26 -4.92 113.62 112.20 2aiz n SER 4 Ca 0.37 0.29 -0.11 0.00 1.01 0.00 0.00 58.87 60.44 2aiz n SER 4 Cb 0.34 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 62.83 2aiz n SER 4 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2aiz s ASN 5 N -6.71 -0.36 0.23 6.43 -0.87 -1.26 -5.16 114.94 107.24 2aiz s ASN 5 Ca -0.16 0.80 -0.11 0.00 -1.57 0.00 0.00 52.86 51.83 2aiz s ASN 5 Cb 0.07 0.76 -0.07 0.00 -0.02 0.00 0.00 41.25 41.99 2aiz s ASN 5 CO 0.79 -0.20 0.58 0.20 -2.57 0.00 0.00 177.10 175.90 2aiz s ASN 6 N 1.60 6.67 -0.20 -1.22 0.01 -1.26 -5.03 114.94 115.52 2aiz s ASN 6 Ca -0.08 0.99 -0.18 0.00 -0.71 0.00 0.00 52.86 52.89 2aiz s ASN 6 Cb -0.10 -2.25 -0.14 0.00 0.41 0.00 0.00 41.25 39.17 2aiz s ASN 6 CO -0.12 -0.07 0.04 -0.67 -1.51 0.00 0.00 177.10 174.77 2aiz n ASP 7 N -0.07 1.86 -3.35 -1.22 2.03 -1.26 -4.99 116.55 109.55 2aiz n ASP 7 Ca 0.00 0.47 0.02 0.00 0.52 0.00 0.00 54.79 55.81 2aiz n ASP 7 Cb 0.52 -0.92 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 2aiz n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aiz s ALA 8 N -2.49 -2.66 -0.01 -1.67 0.00 -1.26 -5.03 121.76 108.64 2aiz s ALA 8 Ca -0.26 1.94 0.01 0.00 0.00 0.00 0.00 51.96 53.65 2aiz s ALA 8 Cb 0.06 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 21.07 2aiz s ALA 8 CO 0.48 -1.13 0.82 0.00 0.00 0.00 0.00 175.76 175.93 2aiz n ALA 9 N 5.25 1.63 -0.29 0.00 0.00 -1.26 -4.87 120.51 120.97 2aiz n ALA 9 Ca -0.08 -0.91 0.06 0.00 0.00 0.00 0.00 53.44 52.52 2aiz n ALA 9 Cb 0.52 -0.28 0.27 0.00 0.00 0.00 0.00 19.45 19.96 2aiz n ALA 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2aiz h GLY 10 N 0.00 1.31 0.00 0.00 0.00 -2.02 -3.45 103.07 98.91 2aiz h GLY 10 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2aiz h GLY 10 CO 0.00 0.24 0.00 -2.01 0.00 0.00 0.00 176.54 174.77 2aiz n ASN 11 N -4.52 0.00 0.26 0.19 2.85 -1.26 -3.96 115.26 108.83 2aiz n ASN 11 Ca 0.15 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.73 2aiz n ASN 11 Cb 0.26 0.00 0.73 0.00 1.24 0.00 0.00 39.78 42.01 2aiz n ASN 11 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2aiz h GLY 12 N 0.00 0.00 0.88 8.20 0.00 -1.97 -2.95 103.07 107.22 2aiz h GLY 12 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2aiz h GLY 12 CO 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.31 2aiz h ALA 13 N 1.92 -0.57 -3.86 3.60 0.00 -1.96 -3.45 119.26 114.94 2aiz h ALA 13 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2aiz h ALA 13 Cb 0.18 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2aiz h ALA 13 CO 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.43 2aiz n ALA 14 N -2.43 0.00 -2.11 0.00 0.00 -1.11 -5.14 120.51 109.72 2aiz n ALA 14 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 2aiz n ALA 14 Cb 0.27 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.33 2.41 -0.22 0.00 1.11 -1.26 -4.88 119.66 115.49 2aiz s GLN 15 Ca 0.00 -1.63 -0.00 0.00 0.01 0.00 0.00 55.36 53.74 2aiz s GLN 15 Cb 0.00 -2.55 0.06 0.00 -1.01 0.00 0.00 33.01 29.51 2aiz s GLN 15 CO 0.00 -0.65 -0.04 0.95 0.01 0.00 0.00 175.29 175.56 2aiz s THR 16 N -2.61 1.30 -0.50 -0.19 -4.23 -1.26 -3.99 115.64 104.16 2aiz s THR 16 Ca 0.55 -1.03 -0.22 0.00 -1.18 0.00 0.00 61.69 59.81 2aiz s THR 16 Cb -0.06 -1.59 0.04 0.00 1.34 0.00 0.00 72.50 72.23 2aiz s THR 16 CO 0.34 -0.09 0.78 -0.36 -0.54 0.00 0.00 174.62 174.75 2aiz s PHE 17 N 1.51 2.94 0.00 3.99 0.08 0.51 -4.16 117.98 122.85 2aiz s PHE 17 Ca -0.04 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.88 2aiz s PHE 17 Cb -0.18 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.53 2aiz s PHE 17 CO -0.07 -1.12 0.00 0.41 -0.10 0.00 0.00 175.22 174.34 2aiz n GLY 18 N 5.09 0.13 0.00 4.36 0.00 -1.26 -2.99 105.19 110.52 2aiz n GLY 18 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.09 3.67 3.59 -0.02 0.00 -1.26 -4.80 105.19 106.28 2aiz n GLY 19 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.03 2.45 0.12 1.61 2.02 -1.16 -4.95 117.35 117.40 2aiz s TYR 20 Ca 0.00 -0.67 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 2aiz s TYR 20 Cb 0.00 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 2aiz s TYR 20 CO 0.00 0.43 0.18 0.45 -1.57 0.00 0.00 175.55 175.05 2aiz s SER 21 N -3.67 5.94 0.29 2.29 0.15 -1.26 0.19 113.70 117.63 2aiz s SER 21 Ca 0.35 0.07 -0.05 0.00 0.70 0.00 0.00 55.95 57.01 2aiz s SER 21 Cb 0.09 -1.70 0.55 0.00 -1.71 0.00 0.00 66.02 63.25 2aiz s SER 21 CO 0.17 0.10 1.56 0.58 1.20 0.00 0.00 173.24 176.86 2aiz h VAL 22 N 2.03 0.00 0.00 4.45 2.07 -1.96 0.88 116.25 123.73 2aiz h VAL 22 Ca -0.47 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2aiz h VAL 22 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2aiz h VAL 22 CO 0.68 0.00 0.03 0.00 0.02 0.00 0.00 177.57 178.30 2aiz h ALA 23 N 2.00 1.02 0.01 1.67 0.00 -1.95 -2.06 119.26 119.95 2aiz h ALA 23 Ca 0.52 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 55.02 2aiz h ALA 23 Cb 0.89 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2aiz h ALA 23 CO -1.00 -0.02 -2.46 -3.47 0.00 0.00 0.00 179.25 172.30 2aiz n ASP 24 N -2.63 1.98 0.33 0.00 2.03 0.29 -3.72 116.55 114.83 2aiz n ASP 24 Ca -0.02 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.50 2aiz n ASP 24 Cb 0.08 -0.54 1.12 0.00 -0.72 0.00 0.00 41.12 41.06 2aiz n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2aiz h LEU 25 N -0.26 0.00 0.00 -2.67 3.38 -0.73 0.88 115.31 115.91 2aiz h LEU 25 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2aiz h LEU 25 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2aiz h LEU 25 CO -0.17 0.00 -1.10 0.00 0.09 0.00 0.00 178.44 177.27 2aiz n GLN 26 N -3.24 0.99 0.00 1.13 1.13 -0.82 -3.96 117.38 112.62 2aiz n GLN 26 Ca -0.03 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 2aiz n GLN 26 Cb 0.11 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.10 2aiz n GLN 26 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2aiz n GLN 27 N -1.61 1.94 -0.02 -1.09 6.02 -0.72 -4.92 117.38 116.99 2aiz n GLN 27 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.97 2aiz n GLN 27 Cb 0.33 -0.87 -0.01 0.00 1.02 0.00 0.00 30.24 30.71 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2aiz n ARG 28 N -1.25 0.21 -3.58 -1.09 1.74 0.30 -4.91 116.66 108.09 2aiz n ARG 28 Ca 0.00 0.08 -0.39 0.00 -0.77 0.00 0.00 57.85 56.78 2aiz n ARG 28 Cb 0.10 -0.82 -0.06 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.15 3.83 0.00 -1.55 2.02 -0.83 -4.70 117.35 113.97 2aiz s TYR 29 Ca -0.12 -2.80 0.00 0.00 -0.37 0.00 0.00 57.07 53.78 2aiz s TYR 29 Cb 0.02 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 2aiz s TYR 29 CO 0.17 -0.82 0.63 -1.71 -1.57 0.00 0.00 175.55 172.26 2aiz n ASN 30 N 2.81 0.00 -3.96 2.29 4.05 -1.25 -4.62 115.26 114.58 2aiz n ASN 30 Ca 0.18 -1.32 -0.18 0.00 0.45 0.00 0.00 54.58 53.71 2aiz n ASN 30 Cb 0.39 -0.06 -0.15 0.00 1.23 0.00 0.00 39.78 41.18 2aiz n ASN 30 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2aiz s THR 31 N 0.00 0.57 0.10 -0.44 2.01 -1.26 -0.62 115.64 116.00 2aiz s THR 31 Ca 0.00 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.80 2aiz s THR 31 Cb 0.00 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2aiz s THR 31 CO 0.00 0.19 0.02 -0.69 -0.69 0.00 0.00 174.62 173.45 2aiz s VAL 32 N 0.24 4.08 -0.20 3.82 1.01 -1.01 -4.98 120.40 123.37 2aiz s VAL 32 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2aiz s VAL 32 Cb -0.08 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.38 2aiz s VAL 32 CO 0.00 0.08 -0.12 -0.31 0.00 0.00 0.00 175.10 174.75 2aiz s TYR 33 N -1.39 2.52 0.49 5.22 1.51 -1.26 -1.82 117.35 122.62 2aiz s TYR 33 Ca 0.27 -1.62 0.04 0.00 -1.01 0.00 0.00 57.07 54.75 2aiz s TYR 33 Cb -0.11 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 2aiz s TYR 33 CO 0.19 -0.76 0.68 -0.06 -1.11 0.00 0.00 175.55 174.50 2aiz s PHE 34 N 1.36 2.85 0.00 2.71 0.08 -0.73 -4.89 117.98 119.37 2aiz s PHE 34 Ca -0.00 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.87 2aiz s PHE 34 Cb -0.16 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 2aiz s PHE 34 CO -0.09 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 174.77 2aiz n GLY 35 N -2.12 3.33 3.70 4.36 0.00 -1.26 -4.72 105.19 108.47 2aiz n GLY 35 Ca 0.08 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2aiz n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aiz s PHE 36 N 0.10 2.36 -0.92 1.61 5.36 -1.26 -2.08 117.98 123.16 2aiz s PHE 36 Ca 0.00 0.14 -0.01 0.00 -0.96 0.00 0.00 56.93 56.10 2aiz s PHE 36 Cb 0.00 -4.11 0.01 0.00 -0.34 0.00 0.00 43.02 38.57 2aiz s PHE 36 CO 0.00 -4.49 0.05 -3.47 -1.46 0.00 0.00 175.22 165.85 2aiz n ASP 37 N 5.33 -3.45 -4.74 6.13 -0.08 -1.26 -4.93 116.55 113.55 2aiz n ASP 37 Ca 0.17 0.18 -0.35 0.00 -1.51 0.00 0.00 54.79 53.28 2aiz n ASP 37 Cb 0.38 -2.95 -0.08 0.00 2.34 0.00 0.00 41.12 40.81 2aiz n ASP 37 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2aiz s LYS 38 N -5.13 3.93 -0.34 -0.67 2.47 -0.88 -5.00 119.74 114.12 2aiz s LYS 38 Ca 0.04 -0.24 0.12 0.00 -1.56 0.00 0.00 55.97 54.34 2aiz s LYS 38 Cb -0.02 -3.30 0.46 0.00 -1.46 0.00 0.00 37.83 33.51 2aiz s LYS 38 CO 0.05 0.41 1.08 2.48 0.16 0.00 0.00 175.35 179.53 2aiz n TYR 39 N 3.13 2.24 -3.74 4.03 4.11 -1.26 -4.56 117.16 121.12 2aiz n TYR 39 Ca -0.17 -2.67 -0.14 0.00 -0.00 0.00 0.00 57.90 54.92 2aiz n TYR 39 Cb 0.53 -0.25 -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 -3.48 -0.22 0.50 9.48 1.11 -1.26 -4.71 116.67 118.09 2aiz s ASP 40 Ca 0.39 0.11 -0.02 0.00 0.18 0.00 0.00 52.55 53.21 2aiz s ASP 40 Cb 0.41 0.33 0.00 0.00 1.07 0.00 0.00 42.92 44.73 2aiz s ASP 40 CO -0.05 -0.48 0.76 -0.63 1.18 0.00 0.00 175.17 175.95 2aiz s ILE 41 N -1.43 3.79 0.10 0.77 1.09 -1.26 -4.88 121.20 119.38 2aiz s ILE 41 Ca -0.13 -0.34 0.07 0.00 -1.10 0.00 0.00 60.65 59.15 2aiz s ILE 41 Cb -0.04 -3.44 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 2aiz s ILE 41 CO 0.04 -0.35 -0.10 0.42 -0.10 0.00 0.00 174.94 174.85 2aiz s THR 42 N -2.72 3.39 0.50 2.92 -4.23 -1.26 -5.00 115.64 109.25 2aiz s THR 42 Ca 0.51 -1.27 0.38 0.00 -1.18 0.00 0.00 61.69 60.13 2aiz s THR 42 Cb -0.10 -2.59 0.58 0.00 1.34 0.00 0.00 72.50 71.73 2aiz s THR 42 CO 0.40 0.11 1.66 1.23 -0.54 0.00 0.00 174.62 177.49 2aiz h GLY 43 N 3.59 0.53 1.71 3.99 0.00 -1.99 0.79 103.07 111.71 2aiz h GLY 43 Ca -0.49 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 2aiz h GLY 43 CO 0.52 -0.15 -0.06 0.83 0.00 0.00 0.00 176.54 177.69 2aiz h GLU 44 N 0.06 0.36 -0.02 4.80 3.07 -2.03 -2.74 114.58 118.08 2aiz h GLU 44 Ca 0.78 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 2aiz h GLU 44 Cb 2.82 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 30.68 2aiz h GLU 44 CO -0.17 0.44 -0.09 0.66 -1.40 0.00 0.00 179.01 178.45 2aiz n TYR 45 N -4.29 0.00 -0.21 4.33 4.01 0.27 -4.45 117.16 116.82 2aiz n TYR 45 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2aiz n TYR 45 Cb 0.25 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.30 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 3.75 1.26 -0.94 -0.72 2.07 -0.93 -3.09 116.25 117.65 2aiz h VAL 46 Ca 0.00 -1.05 0.28 0.00 0.82 0.00 0.00 66.70 66.75 2aiz h VAL 46 Cb 0.84 0.78 -0.15 0.00 -1.52 0.00 0.00 31.29 31.24 2aiz h VAL 46 CO 0.00 0.38 0.30 -0.61 0.02 0.00 0.00 177.57 177.66 2aiz h GLN 47 N 0.90 0.17 -0.10 1.57 -0.00 -1.78 0.16 115.11 116.03 2aiz h GLN 47 Ca 0.18 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.84 2aiz h GLN 47 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.89 2aiz h GLN 47 CO 0.02 0.11 -0.05 0.82 0.00 0.00 0.00 178.83 179.73 2aiz h ILE 48 N 0.17 0.84 -0.92 2.39 2.04 -1.86 0.35 117.51 120.53 2aiz h ILE 48 Ca 0.63 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.65 2aiz h ILE 48 Cb 1.37 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 2aiz h ILE 48 CO -0.70 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 177.97 2aiz h LEU 49 N -0.04 0.66 -0.02 1.44 3.38 -0.82 0.87 115.31 120.78 2aiz h LEU 49 Ca 0.06 0.05 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 2aiz h LEU 49 Cb 0.13 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.82 2aiz h LEU 49 CO -0.13 0.31 -0.99 0.44 0.09 0.00 0.00 178.44 178.16 2aiz h ASP 50 N 0.68 0.90 0.19 -0.43 3.32 -0.74 -2.12 116.42 118.23 2aiz h ASP 50 Ca 0.48 -0.73 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 2aiz h ASP 50 Cb 0.81 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2aiz h ASP 50 CO -0.23 1.51 -0.09 0.00 -1.72 0.00 0.00 179.24 178.70 2aiz h ALA 51 N 0.41 -0.26 -0.78 3.45 0.00 0.11 -2.44 119.26 119.75 2aiz h ALA 51 Ca -0.12 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.65 2aiz h ALA 51 Cb 1.65 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 2aiz h ALA 51 CO 0.20 -0.37 0.51 0.45 0.00 0.00 0.00 179.25 180.04 2aiz h HIS 52 N -0.81 0.82 -0.72 0.00 3.86 0.57 -1.02 115.15 117.85 2aiz h HIS 52 Ca -0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2aiz h HIS 52 Cb 0.52 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2aiz h HIS 52 CO 0.07 0.41 0.44 0.00 0.86 0.00 0.00 177.93 179.71 2aiz h ALA 53 N 1.59 0.92 -0.75 2.45 0.00 -1.37 0.80 119.26 122.90 2aiz h ALA 53 Ca 0.35 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2aiz h ALA 53 Cb 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2aiz h ALA 53 CO -0.13 0.38 0.23 0.00 0.00 0.00 0.00 179.25 179.74 2aiz h ALA 54 N 1.23 0.98 0.06 0.00 0.00 -0.70 0.14 119.26 120.97 2aiz h ALA 54 Ca 0.26 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 2aiz h ALA 54 Cb -0.04 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.47 2aiz h ALA 54 CO -0.05 0.67 -1.08 -0.92 0.00 0.00 0.00 179.25 177.86 2aiz h TYR 55 N 1.12 0.67 -0.42 0.00 3.20 -0.93 -2.07 116.97 118.54 2aiz h TYR 55 Ca 0.24 -0.40 -0.14 0.00 3.14 0.00 0.00 58.73 61.56 2aiz h TYR 55 Cb 0.31 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2aiz h TYR 55 CO 0.03 1.25 -0.30 1.25 -1.64 0.00 0.00 178.16 178.75 2aiz h LEU 56 N 0.20 0.97 -0.35 2.82 5.85 0.76 -2.70 115.31 122.87 2aiz h LEU 56 Ca -0.12 -0.40 -0.19 0.00 0.84 0.00 0.00 57.88 58.01 2aiz h LEU 56 Cb 1.75 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 2aiz h LEU 56 CO 0.19 1.19 -0.71 -1.13 -0.34 0.00 0.00 178.44 177.64 2aiz h ASN 57 N 0.78 0.65 0.29 1.25 -0.73 -1.04 -3.03 115.58 113.75 2aiz h ASN 57 Ca 0.08 -0.41 -0.01 0.00 1.87 0.00 0.00 56.30 57.83 2aiz h ASN 57 Cb 0.88 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 2aiz h ASN 57 CO 0.08 1.17 -0.06 0.00 -0.37 0.00 0.00 177.43 178.25 2aiz h ALA 58 N 0.83 1.23 -3.17 1.57 0.00 -1.27 -3.38 119.26 115.07 2aiz h ALA 58 Ca -0.03 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.14 2aiz h ALA 58 Cb 1.30 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.79 2aiz h ALA 58 CO 0.13 0.07 -0.63 0.95 0.00 0.00 0.00 179.25 179.77 2aiz s THR 59 N -4.21 3.68 0.11 0.00 -4.23 -1.03 -5.02 115.64 104.95 2aiz s THR 59 Ca -0.03 -1.07 -0.32 0.00 -1.18 0.00 0.00 61.69 59.09 2aiz s THR 59 Cb 0.13 -3.04 -0.11 0.00 1.34 0.00 0.00 72.50 70.82 2aiz s THR 59 CO 0.53 -0.10 1.57 -0.65 -0.54 0.00 0.00 174.62 175.44 2aiz h PRO 60 N 8.19 -0.64 -0.84 3.99 0.11 -1.80 -2.19 132.00 138.82 2aiz h PRO 60 Ca -0.25 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2aiz h PRO 60 Cb 1.09 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2aiz h PRO 60 CO 0.59 -0.43 0.00 0.00 -0.21 0.00 0.00 178.00 177.96 2aiz n ALA 61 N -2.91 2.93 -2.60 -0.75 0.00 -1.26 -4.83 120.51 111.09 2aiz n ALA 61 Ca -0.07 -0.61 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 2aiz n ALA 61 Cb 0.39 -1.04 -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 -1.57 3.52 -0.11 0.00 0.00 -0.82 -5.04 121.76 117.73 2aiz s ALA 62 Ca 0.17 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2aiz s ALA 62 Cb 0.13 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2aiz s ALA 62 CO 0.05 -1.15 -0.16 0.15 0.00 0.00 0.00 175.76 174.65 2aiz s LYS 63 N 2.74 3.19 -0.12 0.00 -0.14 -1.26 -4.85 119.74 119.30 2aiz s LYS 63 Ca 0.27 -0.74 -0.13 0.00 -1.36 0.00 0.00 55.97 54.01 2aiz s LYS 63 Cb -0.15 -2.51 -0.05 0.00 -1.68 0.00 0.00 37.83 33.45 2aiz s LYS 63 CO 0.12 0.25 0.30 0.54 -0.76 0.00 0.00 175.35 175.81 2aiz s VAL 64 N 0.23 5.27 -0.40 3.17 0.11 0.65 -4.77 120.40 124.65 2aiz s VAL 64 Ca -0.11 0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 59.46 2aiz s VAL 64 Cb -0.16 -3.62 0.09 0.00 -1.53 0.00 0.00 36.38 31.16 2aiz s VAL 64 CO 0.06 0.46 0.21 -0.22 -3.33 0.00 0.00 175.10 172.28 2aiz s LEU 65 N -0.08 5.06 -0.50 2.54 0.20 0.48 -0.24 118.68 126.14 2aiz s LEU 65 Ca 0.18 -1.67 -0.27 0.00 0.69 0.00 0.00 54.13 53.06 2aiz s LEU 65 Cb -0.14 -1.90 0.03 0.00 -0.43 0.00 0.00 46.19 43.75 2aiz s LEU 65 CO 0.06 -0.51 1.05 -0.69 -0.29 0.00 0.00 176.35 175.97 2aiz s VAL 66 N 1.31 4.28 -0.26 1.68 1.01 0.24 0.15 120.40 128.82 2aiz s VAL 66 Ca 0.04 0.91 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 2aiz s VAL 66 Cb -0.23 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.57 2aiz s VAL 66 CO -0.01 -1.02 0.56 -0.70 0.00 0.00 0.00 175.10 173.93 2aiz s GLU 67 N 4.25 4.09 -0.08 2.72 2.12 -0.83 -1.56 118.70 129.41 2aiz s GLU 67 Ca 0.42 0.41 -0.24 0.00 0.36 0.00 0.00 54.97 55.92 2aiz s GLU 67 Cb -0.09 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2aiz s GLU 67 CO 0.28 -0.37 0.74 0.20 -0.54 0.00 0.00 175.26 175.57 2aiz s GLY 68 N 1.51 2.53 0.14 -1.50 0.00 0.38 -0.91 107.32 109.47 2aiz s GLY 68 Ca 0.23 0.13 0.05 0.00 0.00 0.00 0.00 44.72 45.13 2aiz s GLY 68 CO 0.09 1.31 -0.11 -1.31 0.00 0.00 0.00 173.10 173.08 2aiz s ASN 69 N 0.90 1.84 0.07 1.64 0.01 0.33 -1.99 114.94 117.75 2aiz s ASN 69 Ca 0.38 -0.93 -0.12 0.00 -0.71 0.00 0.00 52.86 51.48 2aiz s ASN 69 Cb -0.18 -0.03 0.04 0.00 0.41 0.00 0.00 41.25 41.49 2aiz s ASN 69 CO 0.18 -0.26 0.57 0.35 -1.51 0.00 0.00 177.10 176.42 2aiz n THR 70 N 0.08 0.00 -2.68 1.60 -2.24 -0.71 -2.34 114.28 107.99 2aiz n THR 70 Ca -0.12 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 2aiz n THR 70 Cb 0.59 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.33 6.69 0.48 3.42 -4.77 -1.26 -4.49 116.67 114.41 2aiz s ASP 71 Ca 0.13 1.83 0.16 0.00 -3.30 0.00 0.00 52.55 51.37 2aiz s ASP 71 Cb -0.01 -2.55 1.17 0.00 -1.09 0.00 0.00 42.92 40.44 2aiz s ASP 71 CO 0.02 -0.54 2.05 1.05 0.70 0.00 0.00 175.17 178.46 2aiz h GLU 72 N 1.87 0.19 -5.75 2.11 9.09 -1.92 -3.39 114.58 116.78 2aiz h GLU 72 Ca -0.49 -0.01 -0.70 0.00 0.05 0.00 0.00 59.36 58.21 2aiz h GLU 72 Cb 1.20 -0.04 -0.05 0.00 -1.65 0.00 0.00 28.75 28.21 2aiz h GLU 72 CO 0.60 0.13 1.44 -2.13 0.05 0.00 0.00 179.01 179.10 2aiz n ARG 73 N -4.47 0.06 0.00 1.06 3.00 -1.26 -4.55 116.66 110.50 2aiz n ARG 73 Ca 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2aiz n ARG 73 Cb 0.29 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.18 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 7.19 -0.43 3.77 5.14 0.00 -1.26 -4.91 105.19 114.70 2aiz n GLY 74 Ca 0.57 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.37 4.66 0.31 2.61 -4.23 -1.26 -4.87 115.64 112.49 2aiz s THR 75 Ca 0.00 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 2aiz s THR 75 Cb 0.00 -3.13 0.42 0.00 1.34 0.00 0.00 72.50 71.13 2aiz s THR 75 CO 0.00 0.34 1.56 -2.65 -0.54 0.00 0.00 174.62 173.34 2aiz n PRO 76 N 1.18 -0.08 -0.32 3.99 -0.02 -1.26 0.79 135.00 139.28 2aiz n PRO 76 Ca -0.13 1.50 -0.04 0.00 -2.02 0.00 0.00 63.50 62.81 2aiz n PRO 76 Cb 0.53 -2.37 0.08 0.00 -0.02 0.00 0.00 33.50 31.71 2aiz n PRO 76 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2aiz h GLU 77 N 0.00 1.17 -0.11 -0.52 3.07 -1.98 0.71 114.58 116.92 2aiz h GLU 77 Ca 0.60 -0.10 -0.23 0.00 -0.50 0.00 0.00 59.36 59.13 2aiz h GLU 77 Cb 1.22 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.89 2aiz h GLU 77 CO -0.95 0.82 -0.83 -0.92 -1.40 0.00 0.00 179.01 175.74 2aiz h TYR 78 N 1.18 0.97 0.00 4.33 5.03 -0.02 -2.69 116.97 125.79 2aiz h TYR 78 Ca 0.31 -0.45 0.00 0.00 2.58 0.00 0.00 58.73 61.17 2aiz h TYR 78 Cb -0.05 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.09 2aiz h TYR 78 CO -0.00 1.28 0.00 0.09 -1.32 0.00 0.00 178.16 178.20 2aiz n ASN 79 N -3.90 0.00 -0.18 -2.11 3.02 0.22 -1.99 115.26 110.32 2aiz n ASN 79 Ca -0.08 0.44 0.09 0.00 -0.03 0.00 0.00 54.58 55.01 2aiz n ASN 79 Cb 0.77 -0.16 0.18 0.00 -0.61 0.00 0.00 39.78 39.96 2aiz n ASN 79 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2aiz n ILE 80 N -0.99 -0.22 0.41 2.41 -0.00 0.24 0.16 119.36 121.38 2aiz n ILE 80 Ca 0.00 1.16 -0.19 0.00 -0.00 0.00 0.00 62.75 63.72 2aiz n ILE 80 Cb 0.00 -1.72 -0.09 0.00 -0.00 0.00 0.00 39.64 37.83 2aiz n ILE 80 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2aiz h ALA 81 N 1.06 -1.03 -0.68 -1.39 0.00 -1.53 0.78 119.26 116.47 2aiz h ALA 81 Ca 0.34 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.16 2aiz h ALA 81 Cb 0.75 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2aiz h ALA 81 CO -0.49 -1.07 -0.25 1.25 0.00 0.00 0.00 179.25 178.69 2aiz h LEU 82 N -1.04 -0.91 -1.25 0.00 7.12 0.22 0.78 115.31 120.23 2aiz h LEU 82 Ca -0.10 0.23 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 2aiz h LEU 82 Cb 0.79 0.52 -0.02 0.00 -0.53 0.00 0.00 40.66 41.41 2aiz h LEU 82 CO 0.17 -0.27 0.20 1.23 -0.13 0.00 0.00 178.44 179.65 2aiz h GLY 83 N -0.07 0.78 0.21 3.75 0.00 -0.98 -2.50 103.07 104.26 2aiz h GLY 83 Ca 0.30 -0.38 0.10 0.00 0.00 0.00 0.00 47.33 47.35 2aiz h GLY 83 CO -0.73 0.36 0.05 -1.61 0.00 0.00 0.00 176.54 174.61 2aiz h GLN 84 N 0.72 0.17 -0.15 4.80 5.75 0.73 0.90 115.11 128.03 2aiz h GLN 84 Ca 0.17 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.57 2aiz h GLN 84 Cb 0.14 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2aiz h GLN 84 CO -0.02 0.11 -0.35 0.07 -2.65 0.00 0.00 178.83 176.00 2aiz h ARG 85 N 0.17 0.30 -0.27 1.69 0.11 -0.98 -0.90 114.38 114.51 2aiz h ARG 85 Ca 0.27 -0.13 -0.03 0.00 0.10 0.00 0.00 59.98 60.19 2aiz h ARG 85 Cb 0.39 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2aiz h ARG 85 CO -0.40 0.62 0.04 0.00 0.10 0.00 0.00 179.97 180.33 2aiz h ARG 86 N 0.26 0.45 -0.55 0.08 3.08 -0.44 -1.47 114.38 115.79 2aiz h ARG 86 Ca 0.03 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2aiz h ARG 86 Cb 0.74 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2aiz h ARG 86 CO 0.06 0.57 0.34 0.00 -1.07 0.00 0.00 179.97 179.87 2aiz h ALA 87 N 0.86 1.57 -0.05 0.04 0.00 0.99 0.67 119.26 123.35 2aiz h ALA 87 Ca 0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2aiz h ALA 87 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2aiz h ALA 87 CO 0.01 0.38 -0.28 -0.44 0.00 0.00 0.00 179.25 178.92 2aiz h ASP 88 N 0.75 0.08 0.59 0.00 3.32 -0.69 0.25 116.42 120.72 2aiz h ASP 88 Ca 0.20 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2aiz h ASP 88 Cb -0.05 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.48 2aiz h ASP 88 CO -0.04 0.36 -0.28 0.00 -1.72 0.00 0.00 179.24 177.56 2aiz h ALA 89 N 1.65 -0.79 -0.27 3.45 0.00 0.18 0.19 119.26 123.67 2aiz h ALA 89 Ca 0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2aiz h ALA 89 Cb 0.53 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2aiz h ALA 89 CO 0.04 -0.90 -0.36 0.28 0.00 0.00 0.00 179.25 178.31 2aiz h VAL 90 N -0.88 1.29 -0.57 0.00 2.07 -1.33 -1.93 116.25 114.91 2aiz h VAL 90 Ca -0.08 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 2aiz h VAL 90 Cb 0.64 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2aiz h VAL 90 CO 0.13 0.48 0.32 0.50 0.02 0.00 0.00 177.57 179.02 2aiz h LYS 91 N 0.51 0.79 0.00 1.57 3.11 -0.40 -1.86 116.57 120.28 2aiz h LYS 91 Ca 0.05 -0.09 -0.06 0.00 -2.81 0.00 0.00 60.65 57.74 2aiz h LYS 91 Cb 0.86 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 2aiz h LYS 91 CO 0.07 0.60 -0.27 0.78 -2.81 0.00 0.00 179.45 177.82 2aiz h GLY 92 N 0.77 0.00 0.49 5.01 0.00 -0.52 -2.20 103.07 106.61 2aiz h GLY 92 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2aiz h GLY 92 CO -0.03 0.00 -0.23 -1.82 0.00 0.00 0.00 176.54 174.45 2aiz h TYR 93 N 0.00 -0.61 -0.73 5.60 5.03 -0.57 -1.10 116.97 124.60 2aiz h TYR 93 Ca -0.00 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.46 2aiz h TYR 93 Cb 0.82 0.20 -0.04 0.00 1.55 0.00 0.00 36.73 39.26 2aiz h TYR 93 CO 0.00 -0.38 0.50 -0.07 -1.32 0.00 0.00 178.16 176.89 2aiz h LEU 94 N -0.77 0.25 -0.86 2.82 3.38 -1.45 0.29 115.31 118.98 2aiz h LEU 94 Ca -0.07 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2aiz h LEU 94 Cb 0.50 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2aiz h LEU 94 CO 0.11 0.13 0.56 0.00 0.09 0.00 0.00 178.44 179.32 2aiz h ALA 95 N 1.66 1.12 0.00 1.53 0.00 -1.13 0.47 119.26 122.90 2aiz h ALA 95 Ca 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2aiz h ALA 95 Cb 1.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2aiz h ALA 95 CO -0.08 0.42 -0.06 0.78 0.00 0.00 0.00 179.25 180.30 2aiz h GLY 96 N 1.09 0.00 1.95 0.00 0.00 0.87 -2.13 103.07 104.86 2aiz h GLY 96 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2aiz h GLY 96 CO -0.10 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.72 2aiz n LYS 97 N -3.18 0.05 0.00 4.80 4.01 0.04 -4.88 118.16 118.99 2aiz n LYS 97 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2aiz n LYS 97 Cb 0.34 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2aiz n GLY 98 N 1.45 0.68 3.68 0.72 0.00 -0.80 -5.07 105.19 105.86 2aiz n GLY 98 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2aiz n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aiz s VAL 99 N -2.00 4.07 0.59 1.61 1.01 -0.50 -4.99 120.40 120.19 2aiz s VAL 99 Ca 0.00 1.39 -0.20 0.00 0.00 0.00 0.00 61.98 63.17 2aiz s VAL 99 Cb 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2aiz s VAL 99 CO 0.00 -0.04 1.28 -0.62 0.00 0.00 0.00 175.10 175.73 2aiz s ASP 100 N 1.81 5.07 0.27 3.32 -1.08 -1.26 -4.15 116.67 120.65 2aiz s ASP 100 Ca 0.59 2.59 0.03 0.00 -0.52 0.00 0.00 52.55 55.23 2aiz s ASP 100 Cb -0.26 -2.62 0.37 0.00 -1.46 0.00 0.00 42.92 38.95 2aiz s ASP 100 CO 0.22 -1.69 1.68 0.00 0.52 0.00 0.00 175.17 175.90 2aiz h ALA 101 N 1.03 1.03 -0.01 3.66 0.00 -1.94 -2.79 119.26 120.24 2aiz h ALA 101 Ca -0.51 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2aiz h ALA 101 Cb 1.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2aiz h ALA 101 CO 0.55 0.59 0.03 0.78 0.00 0.00 0.00 179.25 181.21 2aiz h GLY 102 N 1.09 0.00 -1.07 0.00 0.00 -2.02 0.13 103.07 101.20 2aiz h GLY 102 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2aiz h GLY 102 CO 0.06 0.00 -0.44 0.58 0.00 0.00 0.00 176.54 176.74 2aiz n LYS 103 N -3.37 1.30 -3.69 4.80 2.85 -1.06 -4.94 118.16 114.05 2aiz n LYS 103 Ca -0.03 -1.07 -0.31 0.00 -1.05 0.00 0.00 58.31 55.85 2aiz n LYS 103 Cb 0.11 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 32.97 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 -2.44 4.27 -0.09 -5.58 1.43 0.03 -0.25 118.68 116.05 2aiz s LEU 104 Ca 0.19 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 2aiz s LEU 104 Cb 0.18 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 43.15 2aiz s LEU 104 CO 0.55 0.06 0.30 -0.83 0.23 0.00 0.00 176.35 176.66 2aiz s GLY 105 N -2.46 -0.20 0.09 -3.19 0.00 0.67 -4.90 107.32 97.33 2aiz s GLY 105 Ca 0.41 0.72 0.03 0.00 0.00 0.00 0.00 44.72 45.88 2aiz s GLY 105 CO 0.25 0.59 -0.09 -0.51 0.00 0.00 0.00 173.10 173.34 2aiz s THR 106 N -0.15 0.83 0.08 0.90 -4.23 -1.26 0.82 115.64 112.64 2aiz s THR 106 Ca -0.03 -1.63 -0.27 0.00 -1.18 0.00 0.00 61.69 58.58 2aiz s THR 106 Cb -0.03 -1.33 0.09 0.00 1.34 0.00 0.00 72.50 72.57 2aiz s THR 106 CO 0.01 -0.61 1.11 0.68 -0.54 0.00 0.00 174.62 175.28 2aiz s VAL 107 N -2.57 0.00 -0.28 2.29 -7.23 -0.60 -4.92 120.40 107.10 2aiz s VAL 107 Ca 0.05 -0.46 -0.20 0.00 -1.81 0.00 0.00 61.98 59.56 2aiz s VAL 107 Cb -0.02 -2.14 0.09 0.00 0.56 0.00 0.00 36.38 34.87 2aiz s VAL 107 CO -0.01 0.00 0.79 -0.94 -0.31 0.00 0.00 175.10 174.63 2aiz s SER 108 N -3.05 -0.75 -0.13 4.85 1.04 -1.26 0.14 113.70 114.55 2aiz s SER 108 Ca 0.15 1.29 0.15 0.00 0.48 0.00 0.00 55.95 58.02 2aiz s SER 108 Cb 0.01 1.31 0.30 0.00 0.10 0.00 0.00 66.02 67.74 2aiz s SER 108 CO 0.00 -0.21 1.15 -1.22 0.98 0.00 0.00 173.24 173.94 2aiz n TYR 109 N 3.42 0.00 0.00 5.02 4.01 -0.84 -4.70 117.16 124.06 2aiz n TYR 109 Ca -0.17 -1.00 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 2aiz n TYR 109 Cb 0.57 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2aiz n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aiz n GLY 110 N -1.05 0.00 0.24 2.72 0.00 -1.26 0.62 105.19 106.46 2aiz n GLY 110 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 1.31 0.27 1.61 0.00 -1.26 -4.20 120.64 118.37 2aiz n GLU 111 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 57.16 56.51 2aiz n GLU 111 Cb 0.00 -1.30 -0.10 0.00 0.00 0.00 0.00 31.44 30.04 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 0.92 -0.93 -2.30 3.44 4.57 -0.20 -3.39 114.58 116.68 2aiz h GLU 112 Ca 0.00 0.06 -0.50 0.00 -1.18 0.00 0.00 59.36 57.74 2aiz h GLU 112 Cb 0.20 0.21 -0.36 0.00 -0.16 0.00 0.00 28.75 28.65 2aiz h GLU 112 CO 0.00 -0.62 -0.80 0.15 -1.18 0.00 0.00 179.01 176.56 2aiz s LYS 113 N -5.88 0.63 1.07 1.92 3.01 -1.18 -5.15 119.74 114.16 2aiz s LYS 113 Ca -0.18 -1.25 -0.12 0.00 -1.01 0.00 0.00 55.97 53.42 2aiz s LYS 113 Cb 0.05 -1.08 0.23 0.00 -1.01 0.00 0.00 37.83 36.02 2aiz s LYS 113 CO 0.61 -1.23 1.06 -2.14 0.51 0.00 0.00 175.35 174.17 2aiz s PRO 114 N 1.08 -0.15 -0.07 -1.68 0.02 -1.26 -4.99 135.00 127.94 2aiz s PRO 114 Ca 0.19 0.94 -0.10 0.00 0.02 0.00 0.00 61.00 62.06 2aiz s PRO 114 Cb -0.17 -1.64 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 2aiz s PRO 114 CO -0.02 -3.24 -0.19 0.00 -0.33 0.00 0.00 177.00 173.22 2aiz n ALA 115 N -4.59 1.50 -2.58 -1.55 0.00 -1.26 -4.92 120.51 107.11 2aiz n ALA 115 Ca 0.05 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 2aiz n ALA 115 Cb 0.54 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.34 4.64 0.28 0.00 1.01 -1.26 -5.02 120.40 117.70 2aiz s VAL 116 Ca -0.16 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2aiz s VAL 116 Cb 0.02 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 2aiz s VAL 116 CO 0.24 -0.79 1.43 -0.76 0.00 0.00 0.00 175.10 175.22 2aiz s LEU 117 N 3.31 4.38 0.00 3.92 1.43 -1.26 -4.82 118.68 125.65 2aiz s LEU 117 Ca 0.28 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 2aiz s LEU 117 Cb -0.13 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2aiz s LEU 117 CO 0.21 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.70 2aiz n GLY 118 N 1.74 1.79 2.22 -3.19 0.00 -1.26 -4.91 105.19 101.57 2aiz n GLY 118 Ca 0.05 -2.18 -0.18 0.00 0.00 0.00 0.00 46.02 43.71 2aiz n GLY 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2aiz n HIS 119 N -1.15 -0.05 -4.24 1.61 1.44 -1.26 -4.67 115.22 106.89 2aiz n HIS 119 Ca 0.00 -3.70 -0.17 0.00 -2.01 0.00 0.00 57.72 51.85 2aiz n HIS 119 Cb 0.00 -0.30 -0.11 0.00 0.12 0.00 0.00 29.99 29.70 2aiz n HIS 119 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 2aiz s ASP 120 N -2.24 1.92 0.60 4.39 1.47 -1.26 -4.91 116.67 116.64 2aiz s ASP 120 Ca 0.39 -0.87 0.29 0.00 1.18 0.00 0.00 52.55 53.54 2aiz s ASP 120 Cb 0.33 -0.05 1.15 0.00 -0.34 0.00 0.00 42.92 44.01 2aiz s ASP 120 CO -0.08 -0.20 1.50 -0.33 0.68 0.00 0.00 175.17 176.73 2aiz h GLU 121 N 3.28 0.00 0.17 2.11 4.39 -1.99 0.89 114.58 123.43 2aiz h GLU 121 Ca -0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 2aiz h GLU 121 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2aiz h GLU 121 CO 0.55 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 178.32 2aiz h ALA 122 N 0.84 -0.22 -0.22 3.43 0.00 -1.98 -2.00 119.26 119.12 2aiz h ALA 122 Ca 0.45 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2aiz h ALA 122 Cb 2.50 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.38 2aiz h ALA 122 CO -0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 179.25 178.65 2aiz h ALA 123 N -0.64 0.33 -0.28 0.00 0.00 -1.18 -2.32 119.26 115.17 2aiz h ALA 123 Ca -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2aiz h ALA 123 Cb 0.42 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2aiz h ALA 123 CO 0.04 0.39 0.17 1.88 0.00 0.00 0.00 179.25 181.73 2aiz h TYR 124 N 0.31 0.32 -0.27 0.00 0.05 0.52 -1.33 116.97 116.57 2aiz h TYR 124 Ca 0.02 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 2aiz h TYR 124 Cb 0.93 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 2aiz h TYR 124 CO 0.09 0.19 -0.00 0.66 -1.05 0.00 0.00 178.16 178.04 2aiz h SER 125 N 0.35 0.38 0.76 3.88 4.64 -1.38 -0.62 113.55 121.56 2aiz h SER 125 Ca 0.11 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 2aiz h SER 125 Cb -0.01 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2aiz h SER 125 CO -0.05 0.45 -0.22 0.50 -0.87 0.00 0.00 176.83 176.65 2aiz h LYS 126 N 0.40 0.00 0.01 4.77 3.64 -0.78 -3.01 116.57 121.60 2aiz h LYS 126 Ca 0.09 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.18 2aiz h LYS 126 Cb 0.28 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 2aiz h LYS 126 CO 0.01 0.22 -1.64 -0.91 -2.27 0.00 0.00 179.45 174.86 2aiz h ASN 127 N 0.00 0.04 -0.49 4.20 2.35 -0.16 -3.43 115.58 118.08 2aiz h ASN 127 Ca -0.00 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.49 2aiz h ASN 127 Cb 0.66 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 2aiz h ASN 127 CO 0.03 1.07 0.49 -0.13 -1.65 0.00 0.00 177.43 177.24 2aiz s ARG 128 N -2.61 2.09 0.10 0.81 0.52 -0.35 -1.74 118.95 117.77 2aiz s ARG 128 Ca -0.05 -0.22 -0.24 0.00 -0.52 0.00 0.00 55.73 54.69 2aiz s ARG 128 Cb 0.08 -5.00 0.07 0.00 0.52 0.00 0.00 34.95 30.62 2aiz s ARG 128 CO 0.82 -4.06 0.60 -0.98 0.02 0.00 0.00 175.30 171.70 2aiz s ARG 129 N 7.66 1.19 -0.39 3.54 1.70 -0.99 -1.77 118.95 129.90 2aiz s ARG 129 Ca 0.78 -0.29 0.03 0.00 -0.47 0.00 0.00 55.73 55.78 2aiz s ARG 129 Cb -0.07 0.55 0.11 0.00 -0.57 0.00 0.00 34.95 34.97 2aiz s ARG 129 CO 0.06 -0.48 0.14 0.00 -1.08 0.00 0.00 175.30 173.94 2aiz s ALA 130 N -3.03 2.58 -0.48 7.88 0.00 -0.76 0.12 121.76 128.08 2aiz s ALA 130 Ca -0.02 -2.53 -0.28 0.00 0.00 0.00 0.00 51.96 49.14 2aiz s ALA 130 Cb -0.01 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.22 2aiz s ALA 130 CO -0.07 -1.82 1.06 0.08 0.00 0.00 0.00 175.76 175.02 2aiz s VAL 131 N 0.70 4.29 -0.45 0.00 1.01 -0.08 -2.40 120.40 123.47 2aiz s VAL 131 Ca 0.13 1.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.85 2aiz s VAL 131 Cb -0.21 -4.55 -0.06 0.00 0.00 0.00 0.00 36.38 31.56 2aiz s VAL 131 CO -0.09 -0.97 2.33 -0.76 0.00 0.00 0.00 175.10 175.62 2aiz s LEU 132 N 4.22 3.41 -0.22 3.92 2.01 0.21 -1.96 118.68 130.27 2aiz s LEU 132 Ca 0.43 1.16 -0.10 0.00 0.01 0.00 0.00 54.13 55.64 2aiz s LEU 132 Cb -0.08 -2.69 -0.05 0.00 0.01 0.00 0.00 46.19 43.38 2aiz s LEU 132 CO 0.29 -2.69 0.14 0.00 1.01 0.00 0.00 176.35 175.10 2aiz s ALA 133 N 11.31 3.64 -2.52 4.21 0.00 0.41 -4.85 121.76 133.96 2aiz s ALA 133 Ca 0.96 -0.78 0.28 0.00 0.00 0.00 0.00 51.96 52.42 2aiz s ALA 133 Cb -0.19 -2.22 1.02 0.00 0.00 0.00 0.00 23.12 21.72 2aiz s ALA 133 CO 0.27 0.01 1.73 0.66 0.00 0.00 0.00 175.76 178.43