#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiz s SER 2 N 0.00 0.55 0.66 0.00 0.01 -1.26 -5.12 113.70 108.54 2aiz s SER 2 Ca 0.00 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2aiz s SER 2 Cb 0.00 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.88 2aiz s SER 2 CO 0.00 -0.26 0.00 -0.24 0.41 0.00 0.00 173.24 173.15 2aiz n SER 3 N 5.35 -6.95 0.04 2.44 2.88 -1.26 -3.82 113.62 112.30 2aiz n SER 3 Ca -0.06 0.70 -0.09 0.00 -1.33 0.00 0.00 58.87 58.10 2aiz n SER 3 Cb 0.50 -1.99 -0.13 0.00 -0.75 0.00 0.00 64.21 61.84 2aiz n SER 3 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2aiz h SER 4 N -0.61 0.06 -1.74 -3.46 0.87 -2.07 -3.43 113.55 103.17 2aiz h SER 4 Ca 0.01 -0.07 -0.27 0.00 -1.23 0.00 0.00 61.79 60.23 2aiz h SER 4 Cb 0.60 -0.02 -0.28 0.00 -0.44 0.00 0.00 62.40 62.25 2aiz h SER 4 CO 0.00 1.06 -0.61 0.21 -0.53 0.00 0.00 176.83 176.96 2aiz s ASN 5 N -6.59 0.55 -0.00 6.23 3.84 -1.26 -5.09 114.94 112.62 2aiz s ASN 5 Ca -0.02 -1.15 0.00 0.00 0.21 0.00 0.00 52.86 51.90 2aiz s ASN 5 Cb 0.09 0.92 0.00 0.00 -0.55 0.00 0.00 41.25 41.71 2aiz s ASN 5 CO 0.83 -0.27 -0.00 0.20 -2.79 0.00 0.00 177.10 175.07 2aiz s ASN 6 N 1.78 0.04 0.03 -4.21 -0.87 -1.25 -5.07 114.94 105.40 2aiz s ASN 6 Ca 0.15 -0.00 -0.31 0.00 -1.57 0.00 0.00 52.86 51.13 2aiz s ASN 6 Cb -0.13 -0.01 -0.17 0.00 -0.02 0.00 0.00 41.25 40.93 2aiz s ASN 6 CO -0.11 -0.00 1.30 -2.24 -2.57 0.00 0.00 177.10 173.48 2aiz h ASP 7 N 6.19 -0.93 -3.28 -1.22 2.03 -1.91 -3.47 116.42 113.83 2aiz h ASP 7 Ca -0.25 0.03 0.32 0.00 -0.73 0.00 0.00 57.03 56.40 2aiz h ASP 7 Cb 1.21 0.24 -0.16 0.00 -0.83 0.00 0.00 39.33 39.78 2aiz h ASP 7 CO 0.51 -0.59 -1.06 0.00 -1.03 0.00 0.00 179.24 177.06 2aiz n ALA 8 N -2.67 -3.60 0.00 4.15 0.00 -1.26 -4.67 120.51 112.46 2aiz n ALA 8 Ca -0.14 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2aiz n ALA 8 Cb 0.43 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.92 0.00 -0.02 0.00 0.00 -1.26 -4.32 120.51 110.98 2aiz n ALA 9 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 2aiz n ALA 9 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 -0.68 5.00 0.00 0.00 -1.26 -4.87 105.19 103.38 2aiz n GLY 10 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2aiz n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aiz n ASN 11 N -3.07 0.00 -0.04 1.61 3.02 -1.18 -3.72 115.26 111.88 2aiz n ASN 11 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.50 2aiz n ASN 11 Cb 0.09 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 2aiz n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aiz n GLY 12 N 0.00 -0.79 0.00 7.41 0.00 -1.26 -4.89 105.19 105.66 2aiz n GLY 12 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2aiz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aiz n ALA 13 N -3.06 0.00 -1.55 4.61 0.00 -1.24 -4.96 120.51 114.31 2aiz n ALA 13 Ca -0.04 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2aiz n ALA 13 Cb 0.15 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.61 2aiz n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aiz n ALA 14 N -1.85 -0.50 -3.31 0.00 0.00 -1.26 -5.00 120.51 108.58 2aiz n ALA 14 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.58 2aiz n ALA 14 Cb 0.00 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.42 2aiz n ALA 14 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2aiz s GLN 15 N -1.85 0.39 -0.20 0.00 -2.07 -1.26 -3.11 119.66 111.55 2aiz s GLN 15 Ca 0.64 0.63 0.01 0.00 -1.82 0.00 0.00 55.36 54.82 2aiz s GLN 15 Cb -0.58 -0.26 0.04 0.00 -1.09 0.00 0.00 33.01 31.11 2aiz s GLN 15 CO 0.57 -0.64 -0.13 0.95 -1.32 0.00 0.00 175.29 174.72 2aiz s THR 16 N 2.61 1.85 -0.49 3.63 -4.23 -1.26 -4.20 115.64 113.54 2aiz s THR 16 Ca 0.14 -1.07 -0.20 0.00 -1.18 0.00 0.00 61.69 59.38 2aiz s THR 16 Cb -0.15 -1.83 0.05 0.00 1.34 0.00 0.00 72.50 71.90 2aiz s THR 16 CO -0.17 0.27 0.68 -0.36 -0.54 0.00 0.00 174.62 174.50 2aiz s PHE 17 N 1.32 3.01 0.00 3.99 0.40 0.51 -4.23 117.98 122.99 2aiz s PHE 17 Ca -0.00 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2aiz s PHE 17 Cb -0.16 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.81 2aiz s PHE 17 CO -0.09 -1.04 0.00 0.41 0.70 0.00 0.00 175.22 175.20 2aiz n GLY 18 N 5.12 0.11 0.00 4.36 0.00 -1.26 -2.87 105.19 110.66 2aiz n GLY 18 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.04 4.17 3.56 -0.02 0.00 -1.26 -4.80 105.19 106.79 2aiz n GLY 19 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.01 2.15 0.10 1.61 2.02 -1.14 -4.94 117.35 117.14 2aiz s TYR 20 Ca 0.00 -0.88 -0.01 0.00 -0.37 0.00 0.00 57.07 55.82 2aiz s TYR 20 Cb 0.00 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2aiz s TYR 20 CO 0.00 0.18 0.27 -1.12 -1.57 0.00 0.00 175.55 173.31 2aiz s SER 21 N -3.63 6.39 0.32 2.29 0.01 -1.26 0.19 113.70 118.01 2aiz s SER 21 Ca 0.31 0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.99 2aiz s SER 21 Cb 0.08 -1.99 0.90 0.00 0.21 0.00 0.00 66.02 65.22 2aiz s SER 21 CO 0.15 0.12 1.62 0.58 0.41 0.00 0.00 173.24 176.12 2aiz h VAL 22 N 1.99 0.19 0.00 3.43 2.07 -1.94 0.85 116.25 122.85 2aiz h VAL 22 Ca -0.46 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2aiz h VAL 22 Cb 1.17 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2aiz h VAL 22 CO 0.74 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.36 2aiz h ALA 23 N 1.88 1.00 0.02 1.67 0.00 -1.96 -1.90 119.26 119.97 2aiz h ALA 23 Ca 0.65 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 55.17 2aiz h ALA 23 Cb 1.44 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 2aiz h ALA 23 CO -0.73 0.00 -2.40 -3.47 0.00 0.00 0.00 179.25 172.65 2aiz n ASP 24 N -2.41 2.00 0.32 0.00 2.03 0.29 -3.83 116.55 114.95 2aiz n ASP 24 Ca -0.01 -0.08 0.20 0.00 0.52 0.00 0.00 54.79 55.42 2aiz n ASP 24 Cb 0.08 -0.49 1.06 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 0.01 0.00 0.00 -2.67 3.38 -0.77 1.06 115.31 116.31 2aiz h LEU 25 Ca -0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2aiz h LEU 25 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 2aiz h LEU 25 CO -0.06 0.01 -1.36 0.00 0.09 0.00 0.00 178.44 177.12 2aiz n GLN 26 N -3.23 0.32 0.00 1.13 6.02 -0.76 -4.06 117.38 116.79 2aiz n GLN 26 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2aiz n GLN 26 Cb 0.12 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.85 2aiz n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aiz n GLN 27 N -1.90 2.97 -0.01 -1.09 10.64 -0.87 -4.94 117.38 122.18 2aiz n GLN 27 Ca 0.01 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.16 2aiz n GLN 27 Cb 0.45 -0.68 -0.01 0.00 -0.86 0.00 0.00 30.24 29.14 2aiz n GLN 27 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2aiz n ARG 28 N -0.75 0.11 -3.51 2.61 5.12 0.36 -4.90 116.66 115.71 2aiz n ARG 28 Ca 0.00 0.04 -0.41 0.00 -1.93 0.00 0.00 57.85 55.56 2aiz n ARG 28 Cb 0.00 -0.58 -0.04 0.00 -1.16 0.00 0.00 32.46 30.68 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2aiz s TYR 29 N -1.52 3.90 -0.00 -1.55 2.02 -0.87 -4.71 117.35 114.62 2aiz s TYR 29 Ca -0.06 -2.70 0.00 0.00 -0.37 0.00 0.00 57.07 53.95 2aiz s TYR 29 Cb 0.01 -3.51 0.01 0.00 -0.40 0.00 0.00 41.96 38.06 2aiz s TYR 29 CO 0.09 -0.86 0.67 -1.71 -1.57 0.00 0.00 175.55 172.17 2aiz n ASN 30 N 2.91 0.15 -3.96 2.29 4.05 -1.26 -4.65 115.26 114.80 2aiz n ASN 30 Ca 0.19 -1.35 -0.17 0.00 0.45 0.00 0.00 54.58 53.69 2aiz n ASN 30 Cb 0.40 -0.06 -0.15 0.00 1.23 0.00 0.00 39.78 41.20 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 -0.11 0.51 0.07 -0.44 2.01 -1.26 0.03 115.64 116.44 2aiz s THR 31 Ca 0.01 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 61.83 2aiz s THR 31 Cb 0.01 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2aiz s THR 31 CO 0.00 0.16 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.30 2aiz s VAL 32 N 0.07 3.41 -0.17 3.82 1.01 -1.01 -4.98 120.40 122.54 2aiz s VAL 32 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2aiz s VAL 32 Cb -0.05 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2aiz s VAL 32 CO -0.00 0.21 -0.16 -0.31 0.00 0.00 0.00 175.10 174.83 2aiz s TYR 33 N -1.13 2.78 0.46 5.22 1.51 -1.26 -2.02 117.35 122.91 2aiz s TYR 33 Ca 0.20 -1.25 0.07 0.00 -1.01 0.00 0.00 57.07 55.08 2aiz s TYR 33 Cb -0.11 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 2aiz s TYR 33 CO 0.11 -0.60 0.35 -0.06 -1.11 0.00 0.00 175.55 174.25 2aiz s PHE 34 N 1.03 2.35 0.00 2.71 0.40 -0.45 -4.90 117.98 119.13 2aiz s PHE 34 Ca -0.01 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 2aiz s PHE 34 Cb -0.15 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.33 2aiz s PHE 34 CO -0.04 -0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.10 2aiz n GLY 35 N -1.56 3.75 3.70 4.36 0.00 -1.26 -4.70 105.19 109.47 2aiz n GLY 35 Ca 0.01 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.31 2.24 -0.42 1.61 5.36 -1.26 -2.01 117.98 123.19 2aiz s PHE 36 Ca 0.00 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2aiz s PHE 36 Cb 0.00 -4.19 0.00 0.00 -0.34 0.00 0.00 43.02 38.49 2aiz s PHE 36 CO 0.00 -4.85 0.00 -3.47 -1.46 0.00 0.00 175.22 165.44 2aiz n ASP 37 N 5.45 -2.09 -4.69 6.13 -0.08 -1.26 -4.88 116.55 115.13 2aiz n ASP 37 Ca 0.18 0.37 -0.37 0.00 -1.51 0.00 0.00 54.79 53.45 2aiz n ASP 37 Cb 0.38 -1.89 -0.08 0.00 2.34 0.00 0.00 41.12 41.87 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 -4.86 4.18 -0.49 -0.67 2.47 -0.85 -4.99 119.74 114.52 2aiz s LYS 38 Ca 0.00 0.09 0.07 0.00 -1.56 0.00 0.00 55.97 54.57 2aiz s LYS 38 Cb 0.00 -3.50 0.36 0.00 -1.46 0.00 0.00 37.83 33.23 2aiz s LYS 38 CO 0.00 0.06 0.92 0.98 0.16 0.00 0.00 175.35 177.47 2aiz n TYR 39 N 4.18 2.89 -3.72 4.03 9.36 -1.26 -4.50 117.16 128.12 2aiz n TYR 39 Ca -0.10 -3.74 -0.14 0.00 3.32 0.00 0.00 57.90 57.24 2aiz n TYR 39 Cb 0.51 -0.40 -0.08 0.00 -0.63 0.00 0.00 39.34 38.74 2aiz n TYR 39 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2aiz s ASP 40 N -3.22 -0.25 0.31 2.98 1.47 -1.26 -4.96 116.67 111.73 2aiz s ASP 40 Ca 0.45 0.13 0.05 0.00 1.18 0.00 0.00 52.55 54.36 2aiz s ASP 40 Cb 0.33 0.35 -0.02 0.00 -0.34 0.00 0.00 42.92 43.24 2aiz s ASP 40 CO -0.12 -0.50 0.45 -0.63 0.68 0.00 0.00 175.17 175.05 2aiz s ILE 41 N -1.49 4.70 0.02 2.11 1.01 -1.26 -4.92 121.20 121.38 2aiz s ILE 41 Ca -0.12 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.70 2aiz s ILE 41 Cb -0.04 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2aiz s ILE 41 CO 0.04 -0.30 -0.11 0.42 0.00 0.00 0.00 174.94 175.00 2aiz s THR 42 N -2.15 3.35 0.51 2.92 -4.23 -1.26 -5.00 115.64 109.77 2aiz s THR 42 Ca 0.40 -0.94 0.36 0.00 -1.18 0.00 0.00 61.69 60.33 2aiz s THR 42 Cb -0.09 -2.45 0.56 0.00 1.34 0.00 0.00 72.50 71.86 2aiz s THR 42 CO 0.31 0.36 1.72 1.23 -0.54 0.00 0.00 174.62 177.70 2aiz h GLY 43 N 4.47 0.40 1.63 3.99 0.00 -1.99 0.40 103.07 111.96 2aiz h GLY 43 Ca -0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 2aiz h GLY 43 CO 0.52 -0.08 -0.02 0.83 0.00 0.00 0.00 176.54 177.79 2aiz h GLU 44 N 0.07 0.46 -0.02 4.80 5.08 -2.04 -2.73 114.58 120.20 2aiz h GLU 44 Ca 0.69 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 2aiz h GLU 44 Cb 2.52 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.70 2aiz h GLU 44 CO -0.12 0.50 -0.24 0.66 -1.00 0.00 0.00 179.01 178.81 2aiz n TYR 45 N -4.29 0.00 -0.18 4.33 4.01 0.13 -4.39 117.16 116.77 2aiz n TYR 45 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 2aiz n TYR 45 Cb 0.24 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.28 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 3.37 1.21 -0.98 -0.72 2.07 -1.03 -3.02 116.25 117.14 2aiz h VAL 46 Ca 0.00 -0.65 0.29 0.00 0.82 0.00 0.00 66.70 67.16 2aiz h VAL 46 Cb 0.84 0.68 -0.18 0.00 -1.52 0.00 0.00 31.29 31.11 2aiz h VAL 46 CO 0.00 0.25 0.09 1.67 0.02 0.00 0.00 177.57 179.60 2aiz n GLN 47 N -4.55 -0.08 0.13 1.57 0.00 -1.26 -0.01 117.38 113.18 2aiz n GLN 47 Ca 0.02 1.45 -0.13 0.00 -0.00 0.00 0.00 57.00 58.34 2aiz n GLN 47 Cb 0.15 -2.35 -0.06 0.00 0.00 0.00 0.00 30.24 27.98 2aiz n GLN 47 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2aiz h ILE 48 N 0.00 0.59 -0.77 1.69 2.04 -1.84 0.35 117.51 119.57 2aiz h ILE 48 Ca 0.63 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.67 2aiz h ILE 48 Cb 1.37 0.59 -0.13 0.00 -0.74 0.00 0.00 36.82 37.91 2aiz h ILE 48 CO -0.90 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 177.28 2aiz h LEU 49 N -0.39 -0.17 -0.49 1.44 4.07 -0.54 0.95 115.31 120.17 2aiz h LEU 49 Ca 0.01 0.18 -0.17 0.00 0.08 0.00 0.00 57.88 57.98 2aiz h LEU 49 Cb 0.38 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 2aiz h LEU 49 CO -0.06 -0.13 -0.71 -2.24 -1.08 0.00 0.00 178.44 174.22 2aiz h ASP 50 N 0.17 0.31 0.04 -0.43 3.04 -1.13 -2.25 116.42 116.17 2aiz h ASP 50 Ca 0.44 -0.20 -0.00 0.00 -3.24 0.00 0.00 57.03 54.02 2aiz h ASP 50 Cb 0.79 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.99 2aiz h ASP 50 CO -0.61 0.92 -0.02 0.00 -2.04 0.00 0.00 179.24 177.48 2aiz h ALA 51 N 1.08 -0.06 -0.84 4.15 0.00 0.14 -2.55 119.26 121.17 2aiz h ALA 51 Ca -0.02 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.63 2aiz h ALA 51 Cb 1.26 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2aiz h ALA 51 CO 0.11 -0.17 0.55 0.45 0.00 0.00 0.00 179.25 180.19 2aiz h HIS 52 N -0.77 0.95 -0.42 0.00 3.86 0.70 -1.52 115.15 117.94 2aiz h HIS 52 Ca -0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2aiz h HIS 52 Cb 0.65 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2aiz h HIS 52 CO 0.15 0.50 0.23 0.00 0.86 0.00 0.00 177.93 179.67 2aiz h ALA 53 N 1.54 0.54 -0.72 2.45 0.00 -1.43 0.32 119.26 121.96 2aiz h ALA 53 Ca 0.36 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.23 2aiz h ALA 53 Cb 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2aiz h ALA 53 CO -0.13 0.07 0.43 0.00 0.00 0.00 0.00 179.25 179.63 2aiz h ALA 54 N 1.08 0.96 -0.26 0.00 0.00 -0.86 0.78 119.26 120.97 2aiz h ALA 54 Ca 0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2aiz h ALA 54 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2aiz h ALA 54 CO -0.02 0.17 -0.29 -0.92 0.00 0.00 0.00 179.25 178.18 2aiz h TYR 55 N 0.82 0.79 -0.27 0.00 3.20 -1.02 -2.15 116.97 118.34 2aiz h TYR 55 Ca 0.31 -0.25 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 2aiz h TYR 55 Cb 0.11 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2aiz h TYR 55 CO -0.05 0.98 -0.40 1.25 -1.64 0.00 0.00 178.16 178.30 2aiz h LEU 56 N 0.38 0.69 -0.69 2.82 5.85 0.11 -3.02 115.31 121.43 2aiz h LEU 56 Ca 0.04 -0.31 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 2aiz h LEU 56 Cb 0.87 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2aiz h LEU 56 CO 0.07 1.01 -0.34 -1.13 -0.34 0.00 0.00 178.44 177.71 2aiz h ASN 57 N 0.53 0.65 0.16 1.25 -1.24 0.57 -2.74 115.58 114.75 2aiz h ASN 57 Ca 0.04 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 2aiz h ASN 57 Cb 0.92 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.79 2aiz h ASN 57 CO 0.08 0.94 -0.04 0.00 -1.29 0.00 0.00 177.43 177.12 2aiz h ALA 58 N 1.10 1.34 -3.32 1.57 0.00 -1.26 -3.38 119.26 115.31 2aiz h ALA 58 Ca 0.06 -0.04 -0.68 0.00 0.00 0.00 0.00 54.91 54.25 2aiz h ALA 58 Cb 0.84 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.31 2aiz h ALA 58 CO 0.07 0.05 -0.71 0.95 0.00 0.00 0.00 179.25 179.62 2aiz s THR 59 N -4.38 3.10 0.20 0.00 -4.23 -1.04 -5.01 115.64 104.30 2aiz s THR 59 Ca -0.04 -1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 59.24 2aiz s THR 59 Cb 0.14 -2.67 0.13 0.00 1.34 0.00 0.00 72.50 71.44 2aiz s THR 59 CO 0.54 0.05 1.82 -0.65 -0.54 0.00 0.00 174.62 175.84 2aiz h PRO 60 N 8.05 0.70 -0.67 3.99 0.11 -1.78 -2.24 132.00 140.16 2aiz h PRO 60 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2aiz h PRO 60 Cb 1.09 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2aiz h PRO 60 CO 0.56 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 2aiz n ALA 61 N -2.33 3.19 -2.66 -0.75 0.00 -1.26 -4.88 120.51 111.81 2aiz n ALA 61 Ca 0.07 -1.19 -0.40 0.00 0.00 0.00 0.00 53.44 51.93 2aiz n ALA 61 Cb 0.13 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.98 3.54 -0.07 0.00 0.00 -0.84 -5.06 121.76 117.36 2aiz s ALA 62 Ca 0.36 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.02 2aiz s ALA 62 Cb 0.25 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 2aiz s ALA 62 CO 0.14 -0.50 -0.20 0.15 0.00 0.00 0.00 175.76 175.34 2aiz s LYS 63 N 1.78 2.35 0.01 0.00 1.02 -1.26 -4.66 119.74 118.99 2aiz s LYS 63 Ca 0.26 -0.73 -0.09 0.00 0.02 0.00 0.00 55.97 55.44 2aiz s LYS 63 Cb -0.16 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 35.19 2aiz s LYS 63 CO 0.10 0.22 0.30 0.54 -0.92 0.00 0.00 175.35 175.59 2aiz s VAL 64 N 0.19 5.24 -0.32 3.17 0.11 0.31 -4.84 120.40 124.25 2aiz s VAL 64 Ca -0.10 0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 59.25 2aiz s VAL 64 Cb -0.15 -3.59 0.06 0.00 -1.53 0.00 0.00 36.38 31.17 2aiz s VAL 64 CO 0.05 0.41 0.05 -0.22 -3.33 0.00 0.00 175.10 172.06 2aiz s LEU 65 N -1.61 4.17 -0.46 2.54 0.20 0.51 -0.55 118.68 123.47 2aiz s LEU 65 Ca 0.27 -1.34 -0.23 0.00 0.69 0.00 0.00 54.13 53.51 2aiz s LEU 65 Cb -0.14 -1.76 0.03 0.00 -0.43 0.00 0.00 46.19 43.89 2aiz s LEU 65 CO 0.15 -0.31 0.79 -0.69 -0.29 0.00 0.00 176.35 176.00 2aiz s VAL 66 N 1.27 4.63 -0.28 1.68 1.01 0.17 0.19 120.40 129.09 2aiz s VAL 66 Ca -0.03 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 2aiz s VAL 66 Cb -0.20 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2aiz s VAL 66 CO -0.01 -0.75 0.21 -1.61 0.00 0.00 0.00 175.10 172.95 2aiz s GLU 67 N 3.32 3.97 0.07 2.72 2.02 -0.84 -1.93 118.70 128.03 2aiz s GLU 67 Ca 0.30 -0.27 -0.07 0.00 0.02 0.00 0.00 54.97 54.95 2aiz s GLU 67 Cb -0.12 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 2aiz s GLU 67 CO 0.22 -0.18 0.33 0.20 0.02 0.00 0.00 175.26 175.85 2aiz s GLY 68 N 1.71 2.27 0.17 -1.39 0.00 -0.76 0.10 107.32 109.42 2aiz s GLY 68 Ca 0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 44.27 2aiz s GLY 68 CO 0.11 -0.36 0.09 -1.31 0.00 0.00 0.00 173.10 171.62 2aiz s ASN 69 N -1.94 0.32 0.14 1.64 0.01 0.48 -2.06 114.94 113.52 2aiz s ASN 69 Ca 0.33 -1.29 -0.24 0.00 -0.71 0.00 0.00 52.86 50.94 2aiz s ASN 69 Cb -0.13 0.32 0.08 0.00 0.41 0.00 0.00 41.25 41.93 2aiz s ASN 69 CO 0.19 -0.77 1.05 0.42 -1.51 0.00 0.00 177.10 176.49 2aiz s THR 70 N -4.07 0.00 0.70 1.60 -4.23 0.44 -2.41 115.64 107.67 2aiz s THR 70 Ca 0.31 -0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 60.10 2aiz s THR 70 Cb 0.07 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.45 2aiz s THR 70 CO 0.07 0.00 1.27 1.51 -0.54 0.00 0.00 174.62 176.93 2aiz s ASP 71 N -3.22 4.26 0.36 3.99 -4.77 -1.26 -4.50 116.67 111.53 2aiz s ASP 71 Ca 0.18 2.56 0.09 0.00 -3.30 0.00 0.00 52.55 52.08 2aiz s ASP 71 Cb -0.01 -2.61 0.67 0.00 -1.09 0.00 0.00 42.92 39.88 2aiz s ASP 71 CO 0.03 -2.23 1.83 1.05 0.70 0.00 0.00 175.17 176.55 2aiz h GLU 72 N 0.09 0.20 -6.07 2.11 -0.00 -1.88 -3.44 114.58 105.59 2aiz h GLU 72 Ca -0.50 -0.06 -0.66 0.00 -0.00 0.00 0.00 59.36 58.14 2aiz h GLU 72 Cb 1.33 -0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 30.06 2aiz h GLU 72 CO 0.51 0.45 1.28 -2.13 -0.00 0.00 0.00 179.01 179.12 2aiz n ARG 73 N -4.17 1.39 0.00 1.06 3.00 -1.26 -4.69 116.66 111.99 2aiz n ARG 73 Ca -0.01 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 2aiz n ARG 73 Cb 0.36 -2.51 0.00 0.00 0.00 0.00 0.00 32.46 30.31 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 5.69 -0.38 3.69 5.14 0.00 -1.26 -5.05 105.19 113.03 2aiz n GLY 74 Ca 0.34 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 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 4.16 0.38 2.61 -4.23 -1.26 -4.96 115.64 112.34 2aiz s THR 75 Ca 0.00 -0.72 0.10 0.00 -1.18 0.00 0.00 61.69 59.89 2aiz s THR 75 Cb 0.00 -2.91 0.33 0.00 1.34 0.00 0.00 72.50 71.26 2aiz s THR 75 CO 0.00 0.28 1.91 -0.65 -0.54 0.00 0.00 174.62 175.62 2aiz h PRO 76 N 3.98 0.60 -0.68 3.99 0.11 -1.94 -2.49 132.00 135.56 2aiz h PRO 76 Ca -0.48 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.70 2aiz h PRO 76 Cb 1.17 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 2aiz h PRO 76 CO 0.59 0.39 -0.40 1.05 -0.21 0.00 0.00 178.00 179.43 2aiz h GLU 77 N 0.61 -0.15 0.00 1.05 -0.00 -1.98 1.35 114.58 115.47 2aiz h GLU 77 Ca 0.39 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.76 2aiz h GLU 77 Cb 0.65 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.44 2aiz h GLU 77 CO -0.15 -0.10 -0.95 2.48 -0.00 0.00 0.00 179.01 180.29 2aiz n TYR 78 N -5.42 0.24 0.09 2.06 0.18 -1.19 -2.33 117.16 110.79 2aiz n TYR 78 Ca 0.04 0.07 0.01 0.00 1.88 0.00 0.00 57.90 59.90 2aiz n TYR 78 Cb 0.36 -0.41 -0.03 0.00 -0.38 0.00 0.00 39.34 38.88 2aiz n TYR 78 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 2aiz h ASN 79 N 0.00 0.00 0.24 9.48 2.35 -0.83 -0.45 115.58 126.37 2aiz h ASN 79 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 2aiz h ASN 79 Cb 0.70 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 2aiz h ASN 79 CO 0.00 0.58 -1.93 -0.38 -1.65 0.00 0.00 177.43 174.04 2aiz n ILE 80 N -3.10 1.71 -0.00 2.81 -0.00 0.46 -2.23 119.36 119.01 2aiz n ILE 80 Ca -0.03 -0.71 -0.13 0.00 -0.00 0.00 0.00 62.75 61.89 2aiz n ILE 80 Cb 0.80 -1.46 -0.09 0.00 -0.00 0.00 0.00 39.64 38.89 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 0.40 0.00 -0.19 -1.39 0.00 -1.54 1.06 119.26 117.60 2aiz h ALA 81 Ca -0.39 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 2aiz h ALA 81 Cb 2.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2aiz h ALA 81 CO 0.08 -0.31 -0.38 1.37 0.00 0.00 0.00 179.25 180.01 2aiz h LEU 82 N -0.36 0.45 0.36 0.00 -0.00 -1.24 -0.59 115.31 113.92 2aiz h LEU 82 Ca 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.88 57.68 2aiz h LEU 82 Cb 0.37 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2aiz h LEU 82 CO 0.00 0.79 -0.17 1.23 -0.00 0.00 0.00 178.44 180.29 2aiz h GLY 83 N 1.11 -0.50 0.08 0.17 0.00 -1.34 -2.60 103.07 99.99 2aiz h GLY 83 Ca 0.04 0.19 0.25 0.00 0.00 0.00 0.00 47.33 47.80 2aiz h GLY 83 CO 0.07 -0.18 0.66 -1.61 0.00 0.00 0.00 176.54 175.47 2aiz h GLN 84 N -0.96 0.25 -0.08 4.80 4.15 0.12 0.37 115.11 123.75 2aiz h GLN 84 Ca -0.05 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2aiz h GLN 84 Cb 0.53 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2aiz h GLN 84 CO 0.08 0.16 0.04 -0.09 -1.93 0.00 0.00 178.83 177.10 2aiz h ARG 85 N 0.25 0.09 -0.91 1.69 2.43 -0.95 0.36 114.38 117.34 2aiz h ARG 85 Ca 0.50 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.78 2aiz h ARG 85 Cb 1.53 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.99 2aiz h ARG 85 CO -0.15 0.06 0.58 0.00 -1.51 0.00 0.00 179.97 178.96 2aiz h ARG 86 N 0.09 0.84 -0.44 0.20 3.08 0.08 0.64 114.38 118.88 2aiz h ARG 86 Ca 0.03 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2aiz h ARG 86 Cb -0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2aiz h ARG 86 CO -0.01 0.56 0.11 0.00 -1.07 0.00 0.00 179.97 179.56 2aiz h ALA 87 N 1.56 1.39 -0.05 0.04 0.00 -0.06 -0.67 119.26 121.46 2aiz h ALA 87 Ca 0.43 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2aiz h ALA 87 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2aiz h ALA 87 CO -0.20 0.45 -0.47 -0.44 0.00 0.00 0.00 179.25 178.59 2aiz h ASP 88 N 0.63 0.13 -0.30 0.00 3.32 0.41 0.07 116.42 120.69 2aiz h ASP 88 Ca 0.15 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2aiz h ASP 88 Cb 0.23 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2aiz h ASP 88 CO -0.00 0.59 0.17 0.00 -1.72 0.00 0.00 179.24 178.28 2aiz h ALA 89 N 1.42 0.38 -0.01 3.45 0.00 0.90 0.94 119.26 126.34 2aiz h ALA 89 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2aiz h ALA 89 Cb 0.87 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2aiz h ALA 89 CO 0.07 -0.11 -0.80 0.28 0.00 0.00 0.00 179.25 178.69 2aiz h VAL 90 N 0.37 1.51 -0.50 0.00 2.07 -1.29 -2.11 116.25 116.31 2aiz h VAL 90 Ca 0.11 -2.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.04 2aiz h VAL 90 Cb 0.03 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2aiz h VAL 90 CO -0.02 0.74 0.22 0.07 0.02 0.00 0.00 177.57 178.61 2aiz h LYS 91 N 0.06 0.73 0.00 1.57 5.09 -0.55 -2.11 116.57 121.36 2aiz h LYS 91 Ca -0.02 -0.12 -0.10 0.00 0.09 0.00 0.00 60.65 60.50 2aiz h LYS 91 Cb 1.40 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 33.58 2aiz h LYS 91 CO 0.11 0.63 -0.49 0.78 -2.09 0.00 0.00 179.45 178.39 2aiz h GLY 92 N 0.66 0.00 0.97 0.07 0.00 -0.82 -2.33 103.07 101.62 2aiz h GLY 92 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 2aiz h GLY 92 CO -0.02 0.00 -0.35 -1.82 0.00 0.00 0.00 176.54 174.35 2aiz h TYR 93 N 0.00 -0.92 -0.22 5.60 5.03 -0.85 0.23 116.97 125.85 2aiz h TYR 93 Ca -0.00 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 2aiz h TYR 93 Cb 1.09 0.31 -0.01 0.00 1.55 0.00 0.00 36.73 39.67 2aiz h TYR 93 CO 0.00 -0.56 0.09 -0.07 -1.32 0.00 0.00 178.16 176.30 2aiz h LEU 94 N -0.95 0.26 -0.67 2.82 3.38 -1.43 -1.41 115.31 117.31 2aiz h LEU 94 Ca -0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2aiz h LEU 94 Cb 0.74 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2aiz h LEU 94 CO 0.14 0.24 0.35 0.00 0.09 0.00 0.00 178.44 179.26 2aiz h ALA 95 N 1.80 0.86 0.00 1.53 0.00 -0.78 -1.62 119.26 121.05 2aiz h ALA 95 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2aiz h ALA 95 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2aiz h ALA 95 CO -0.01 0.39 0.00 0.78 0.00 0.00 0.00 179.25 180.41 2aiz h GLY 96 N 0.92 0.00 2.00 0.00 0.00 0.49 -2.53 103.07 103.94 2aiz h GLY 96 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2aiz h GLY 96 CO -0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.78 2aiz n LYS 97 N -3.09 0.04 0.00 4.80 5.02 -0.69 -4.88 118.16 119.37 2aiz n LYS 97 Ca 0.01 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2aiz n LYS 97 Cb 0.34 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2aiz n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aiz n GLY 98 N 1.21 1.19 3.70 0.72 0.00 -0.95 -5.09 105.19 105.95 2aiz n GLY 98 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2aiz n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aiz s VAL 99 N -2.00 4.67 1.02 1.61 1.01 -0.74 -5.01 120.40 120.96 2aiz s VAL 99 Ca 0.00 1.93 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 2aiz s VAL 99 Cb 0.00 -4.24 0.18 0.00 0.00 0.00 0.00 36.38 32.32 2aiz s VAL 99 CO 0.00 0.07 0.95 -0.67 0.00 0.00 0.00 175.10 175.44 2aiz n ASP 100 N 4.55 -0.79 0.07 3.32 -0.08 -1.26 -3.94 116.55 118.42 2aiz n ASP 100 Ca 0.08 0.19 -0.10 0.00 -1.51 0.00 0.00 54.79 53.45 2aiz n ASP 100 Cb 0.49 -1.34 -0.13 0.00 2.34 0.00 0.00 41.12 42.48 2aiz n ASP 100 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2aiz h ALA 101 N -2.14 0.30 -0.20 -1.67 0.00 -1.95 -3.26 119.26 110.34 2aiz h ALA 101 Ca -0.50 -0.95 0.06 0.00 0.00 0.00 0.00 54.91 53.52 2aiz h ALA 101 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2aiz h ALA 101 CO 0.43 1.19 0.29 0.78 0.00 0.00 0.00 179.25 181.93 2aiz h GLY 102 N 2.58 0.00 -0.49 0.00 0.00 -1.99 0.43 103.07 103.60 2aiz h GLY 102 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2aiz h GLY 102 CO 0.15 0.00 -0.35 0.58 0.00 0.00 0.00 176.54 176.92 2aiz n LYS 103 N -3.54 1.11 -3.60 4.80 0.00 -1.23 -4.90 118.16 110.80 2aiz n LYS 103 Ca 0.02 -0.81 -0.38 0.00 -0.00 0.00 0.00 58.31 57.14 2aiz n LYS 103 Cb 0.40 -1.48 -0.06 0.00 -0.00 0.00 0.00 35.03 33.89 2aiz n LYS 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2aiz s LEU 104 N -2.46 4.44 -0.04 -5.58 1.43 0.15 0.11 118.68 116.75 2aiz s LEU 104 Ca 0.22 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 54.10 2aiz s LEU 104 Cb 0.19 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2aiz s LEU 104 CO 0.53 0.34 0.12 -0.83 0.23 0.00 0.00 176.35 176.74 2aiz s GLY 105 N -1.00 -0.06 0.08 -3.19 0.00 0.28 -4.91 107.32 98.52 2aiz s GLY 105 Ca 0.21 0.24 0.04 0.00 0.00 0.00 0.00 44.72 45.21 2aiz s GLY 105 CO 0.11 0.18 -0.10 -0.51 0.00 0.00 0.00 173.10 172.77 2aiz s THR 106 N -0.20 0.89 -0.30 0.90 -4.23 -1.26 0.46 115.64 111.90 2aiz s THR 106 Ca -0.03 -1.46 -0.18 0.00 -1.18 0.00 0.00 61.69 58.84 2aiz s THR 106 Cb -0.02 -1.15 0.19 0.00 1.34 0.00 0.00 72.50 72.85 2aiz s THR 106 CO 0.00 -0.46 1.20 0.68 -0.54 0.00 0.00 174.62 175.50 2aiz s VAL 107 N -2.01 -0.19 -0.03 2.29 -7.23 -0.81 -4.93 120.40 107.49 2aiz s VAL 107 Ca 0.01 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.24 2aiz s VAL 107 Cb -0.06 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 2aiz s VAL 107 CO 0.00 0.00 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.64 2aiz s SER 108 N 2.20 3.47 -0.18 4.85 1.04 -1.26 -1.83 113.70 121.98 2aiz s SER 108 Ca -0.01 -0.36 0.13 0.00 0.48 0.00 0.00 55.95 56.20 2aiz s SER 108 Cb -0.03 -0.55 0.39 0.00 0.10 0.00 0.00 66.02 65.93 2aiz s SER 108 CO -0.16 0.33 1.20 -1.22 0.98 0.00 0.00 173.24 174.37 2aiz n TYR 109 N 2.37 0.00 0.00 5.02 4.01 -0.87 -4.85 117.16 122.83 2aiz n TYR 109 Ca -0.16 -1.35 0.00 0.00 -0.16 0.00 0.00 57.90 56.23 2aiz n TYR 109 Cb 0.52 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.10 -0.52 0.50 2.72 0.00 -1.25 -1.62 105.19 103.93 2aiz n GLY 110 Ca 0.18 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.37 2aiz n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2aiz n GLU 111 N -1.99 1.45 0.21 1.61 -0.58 -1.26 -4.17 120.64 115.91 2aiz n GLU 111 Ca 0.00 -1.14 -0.13 0.00 -0.42 0.00 0.00 57.16 55.47 2aiz n GLU 111 Cb 0.00 -1.27 -0.07 0.00 -0.57 0.00 0.00 31.44 29.53 2aiz n GLU 111 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2aiz h GLU 112 N 2.46 -0.55 -2.79 3.49 4.57 -1.67 -3.42 114.58 116.66 2aiz h GLU 112 Ca 0.00 0.04 -0.60 0.00 -1.18 0.00 0.00 59.36 57.62 2aiz h GLU 112 Cb 0.59 0.13 -0.40 0.00 -0.16 0.00 0.00 28.75 28.91 2aiz h GLU 112 CO 0.00 -0.25 -0.79 0.15 -1.18 0.00 0.00 179.01 176.94 2aiz s LYS 113 N -4.33 0.92 1.01 1.92 1.02 -1.13 -5.13 119.74 114.01 2aiz s LYS 113 Ca -0.13 -1.66 -0.12 0.00 0.02 0.00 0.00 55.97 54.08 2aiz s LYS 113 Cb 0.02 -1.83 0.16 0.00 -0.52 0.00 0.00 37.83 35.66 2aiz s LYS 113 CO 0.45 -1.18 0.89 -2.30 -0.92 0.00 0.00 175.35 172.29 2aiz n PRO 114 N 3.80 -1.04 -0.01 -1.68 -0.02 -1.26 -4.91 135.00 129.88 2aiz n PRO 114 Ca 0.10 -0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.31 2aiz n PRO 114 Cb 0.36 -2.17 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2aiz n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aiz n ALA 115 N -4.34 0.19 -2.63 3.55 0.00 -1.26 -4.94 120.51 111.08 2aiz n ALA 115 Ca 0.08 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 2aiz n ALA 115 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.26 4.96 0.22 0.00 1.01 -1.26 -5.04 120.40 119.04 2aiz s VAL 116 Ca -0.04 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 2aiz s VAL 116 Cb 0.01 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2aiz s VAL 116 CO 0.06 0.00 1.17 -0.76 0.00 0.00 0.00 175.10 175.57 2aiz s LEU 117 N 2.56 4.48 0.00 3.92 2.01 -1.26 -4.88 118.68 125.51 2aiz s LEU 117 Ca 0.27 2.26 0.00 0.00 0.01 0.00 0.00 54.13 56.67 2aiz s LEU 117 Cb -0.15 -3.61 0.00 0.00 0.01 0.00 0.00 46.19 42.43 2aiz s LEU 117 CO 0.09 -0.30 0.00 0.61 1.01 0.00 0.00 176.35 177.75 2aiz n GLY 118 N 1.81 1.77 2.54 -3.19 0.00 -1.26 -4.92 105.19 101.94 2aiz n GLY 118 Ca 0.02 -2.15 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 2aiz n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aiz s HIS 119 N -1.48 0.35 -0.10 1.61 0.09 -1.26 -4.77 115.29 109.74 2aiz s HIS 119 Ca 0.00 -1.01 -0.33 0.00 -0.00 0.00 0.00 55.06 53.72 2aiz s HIS 119 Cb 0.00 -0.87 0.13 0.00 -0.00 0.00 0.00 32.58 31.84 2aiz s HIS 119 CO 0.00 -0.84 1.27 0.34 -0.00 0.00 0.00 174.74 175.52 2aiz s ASP 120 N 1.87 -0.08 0.59 1.40 2.15 -1.26 -4.99 116.67 116.35 2aiz s ASP 120 Ca 0.11 -0.07 0.30 0.00 0.43 0.00 0.00 52.55 53.32 2aiz s ASP 120 Cb -0.17 0.14 1.36 0.00 -0.30 0.00 0.00 42.92 43.94 2aiz s ASP 120 CO -0.27 -0.24 1.73 -0.08 -0.17 0.00 0.00 175.17 176.13 2aiz h GLU 121 N 2.00 0.00 0.33 4.34 4.57 -1.99 0.75 114.58 124.58 2aiz h GLU 121 Ca -0.21 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 2aiz h GLU 121 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2aiz h GLU 121 CO 0.26 0.00 -0.16 0.00 -1.18 0.00 0.00 179.01 177.93 2aiz h ALA 122 N 1.21 -0.62 -0.45 2.92 0.00 -1.98 -1.84 119.26 118.49 2aiz h ALA 122 Ca 0.34 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2aiz h ALA 122 Cb 1.81 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2aiz h ALA 122 CO -0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 179.25 178.49 2aiz h ALA 123 N -1.47 0.63 -0.45 0.00 0.00 -1.70 -2.32 119.26 113.96 2aiz h ALA 123 Ca -0.05 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2aiz h ALA 123 Cb 0.34 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2aiz h ALA 123 CO 0.07 0.58 0.20 1.88 0.00 0.00 0.00 179.25 181.98 2aiz h TYR 124 N 0.75 0.37 -0.32 0.00 0.05 0.37 -0.92 116.97 117.27 2aiz h TYR 124 Ca 0.11 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 2aiz h TYR 124 Cb 0.74 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 2aiz h TYR 124 CO 0.05 0.17 -0.31 0.66 -1.05 0.00 0.00 178.16 177.68 2aiz h SER 125 N 0.40 0.71 0.54 3.88 4.64 -1.29 -1.69 113.55 120.74 2aiz h SER 125 Ca 0.20 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 2aiz h SER 125 Cb 0.14 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2aiz h SER 125 CO -0.17 0.97 -0.28 0.11 -0.87 0.00 0.00 176.83 176.59 2aiz h LYS 126 N 0.58 0.00 0.00 4.77 1.57 -0.94 -2.95 116.57 119.60 2aiz h LYS 126 Ca 0.07 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.61 2aiz h LYS 126 Cb 0.81 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 2aiz h LYS 126 CO 0.07 0.28 -1.41 -0.91 -0.57 0.00 0.00 179.45 176.91 2aiz h ASN 127 N 0.00 0.00 -0.47 0.86 2.35 -0.95 -3.42 115.58 113.95 2aiz h ASN 127 Ca -0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.43 2aiz h ASN 127 Cb 0.63 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 2aiz h ASN 127 CO 0.04 0.88 1.00 -0.13 -1.65 0.00 0.00 177.43 177.57 2aiz s ARG 128 N -2.71 2.44 0.00 0.81 0.52 -0.66 -0.42 118.95 118.94 2aiz s ARG 128 Ca -0.02 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.83 2aiz s ARG 128 Cb 0.09 -5.22 0.07 0.00 0.52 0.00 0.00 34.95 30.41 2aiz s ARG 128 CO 0.82 -4.01 0.66 -0.98 0.02 0.00 0.00 175.30 171.81 2aiz s ARG 129 N 6.60 1.11 -0.30 3.54 1.70 -1.01 -1.34 118.95 129.26 2aiz s ARG 129 Ca 0.69 0.08 0.03 0.00 -0.47 0.00 0.00 55.73 56.06 2aiz s ARG 129 Cb -0.01 0.52 0.08 0.00 -0.57 0.00 0.00 34.95 34.96 2aiz s ARG 129 CO 0.12 -0.38 -0.03 0.00 -1.08 0.00 0.00 175.30 173.93 2aiz s ALA 130 N -1.80 2.68 -0.38 7.88 0.00 -0.85 0.18 121.76 129.45 2aiz s ALA 130 Ca -0.08 -2.11 -0.24 0.00 0.00 0.00 0.00 51.96 49.53 2aiz s ALA 130 Cb -0.00 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.37 2aiz s ALA 130 CO 0.04 -1.44 0.82 0.08 0.00 0.00 0.00 175.76 175.27 2aiz s VAL 131 N 1.03 4.67 -0.53 0.00 1.01 0.28 -2.41 120.40 124.45 2aiz s VAL 131 Ca 0.01 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 62.59 2aiz s VAL 131 Cb -0.19 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 2aiz s VAL 131 CO -0.07 -0.53 2.36 -0.76 0.00 0.00 0.00 175.10 176.11 2aiz s LEU 132 N 3.25 3.35 -0.24 3.92 2.01 0.10 -1.98 118.68 129.09 2aiz s LEU 132 Ca 0.33 0.91 -0.11 0.00 0.01 0.00 0.00 54.13 55.27 2aiz s LEU 132 Cb -0.13 -2.51 -0.05 0.00 0.01 0.00 0.00 46.19 43.52 2aiz s LEU 132 CO 0.19 -2.93 0.18 0.00 1.01 0.00 0.00 176.35 174.80 2aiz s ALA 133 N 12.18 3.60 -2.54 4.21 0.00 0.52 -4.83 121.76 134.90 2aiz s ALA 133 Ca 0.94 -0.89 0.28 0.00 0.00 0.00 0.00 51.96 52.29 2aiz s ALA 133 Cb -0.16 -2.37 0.99 0.00 0.00 0.00 0.00 23.12 21.58 2aiz s ALA 133 CO 0.24 -0.25 1.71 0.66 0.00 0.00 0.00 175.76 178.12