#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 -0.28 0.00 0.00 0.15 -1.26 -5.11 113.70 107.19 2aiz s SER 2 Ca 0.00 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2aiz s SER 2 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2aiz s SER 2 CO 0.00 -0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.11 2aiz n SER 3 N 1.97 0.00 -0.01 5.45 2.88 -1.26 -4.87 113.62 117.78 2aiz n SER 3 Ca -0.12 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.36 2aiz n SER 3 Cb 0.56 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.00 0.59 -2.46 -3.46 0.02 -2.09 -3.43 113.55 102.72 2aiz h SER 4 Ca 0.00 -0.23 -0.16 0.00 -0.84 0.00 0.00 61.79 60.56 2aiz h SER 4 Cb 0.00 -0.16 -0.30 0.00 0.14 0.00 0.00 62.40 62.08 2aiz h SER 4 CO 0.00 0.88 -0.46 0.20 -1.14 0.00 0.00 176.83 176.30 2aiz s ASN 5 N -6.82 0.16 -0.01 3.07 0.01 -1.26 -5.15 114.94 104.93 2aiz s ASN 5 Ca -0.07 0.60 -0.16 0.00 -0.71 0.00 0.00 52.86 52.52 2aiz s ASN 5 Cb 0.13 1.04 0.03 0.00 0.41 0.00 0.00 41.25 42.85 2aiz s ASN 5 CO 0.81 -0.26 0.34 0.20 -1.51 0.00 0.00 177.10 176.68 2aiz s ASN 6 N 2.52 -0.22 -0.06 -1.22 0.01 -1.26 -5.07 114.94 109.63 2aiz s ASN 6 Ca 0.03 0.12 -0.24 0.00 -0.71 0.00 0.00 52.86 52.07 2aiz s ASN 6 Cb -0.13 0.33 -0.19 0.00 0.41 0.00 0.00 41.25 41.67 2aiz s ASN 6 CO -0.12 -0.46 0.95 -2.24 -1.51 0.00 0.00 177.10 173.72 2aiz h ASP 7 N 3.78 -0.09 -0.32 -1.22 2.03 -2.01 -3.49 116.42 115.10 2aiz h ASP 7 Ca -0.29 -0.51 0.00 0.00 -0.73 0.00 0.00 57.03 55.50 2aiz h ASP 7 Cb 1.17 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2aiz h ASP 7 CO 0.40 0.53 0.00 0.00 -1.03 0.00 0.00 179.24 179.14 2aiz n ALA 8 N -2.51 0.00 -3.19 4.15 0.00 -1.26 -4.53 120.51 113.17 2aiz n ALA 8 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 2aiz n ALA 8 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 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 0.04 3.15 0.33 0.00 0.00 -1.26 -4.92 120.51 117.84 2aiz n ALA 9 Ca 0.00 -3.98 0.19 0.00 0.00 0.00 0.00 53.44 49.65 2aiz n ALA 9 Cb 0.00 -0.85 1.00 0.00 0.00 0.00 0.00 19.45 19.61 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 3.55 0.00 -6.23 0.00 0.00 -1.98 -3.40 103.07 95.01 2aiz h GLY 10 Ca 0.12 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.85 2aiz h GLY 10 CO 0.63 0.00 -0.38 0.54 0.00 0.00 0.00 176.54 177.33 2aiz s ASN 11 N -4.88 6.33 0.64 0.19 2.20 -1.26 -4.96 114.94 113.20 2aiz s ASN 11 Ca -0.04 0.38 0.37 0.00 -0.94 0.00 0.00 52.86 52.62 2aiz s ASN 11 Cb 0.11 -2.15 2.06 0.00 -2.00 0.00 0.00 41.25 39.27 2aiz s ASN 11 CO 0.36 0.09 2.24 1.23 -2.94 0.00 0.00 177.10 178.08 2aiz h GLY 12 N 6.92 0.00 1.29 0.45 0.00 -2.05 -1.58 103.07 108.11 2aiz h GLY 12 Ca -0.40 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.03 2aiz h GLY 12 CO 0.74 0.00 0.26 0.00 0.00 0.00 0.00 176.54 177.54 2aiz h ALA 13 N 1.87 2.22 -1.29 3.60 0.00 -1.93 -3.36 119.26 120.37 2aiz h ALA 13 Ca 0.02 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.38 2aiz h ALA 13 Cb 0.18 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2aiz h ALA 13 CO -0.00 -0.43 1.18 0.00 0.00 0.00 0.00 179.25 179.99 2aiz s ALA 14 N -4.92 2.61 -0.30 0.00 0.00 -0.60 -4.86 121.76 113.69 2aiz s ALA 14 Ca -0.05 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.27 2aiz s ALA 14 Cb 0.18 -4.34 0.18 0.00 0.00 0.00 0.00 23.12 19.14 2aiz s ALA 14 CO 0.67 -3.51 1.19 1.14 0.00 0.00 0.00 175.76 175.24 2aiz s GLN 15 N 5.81 0.09 -0.15 0.00 -2.07 -1.26 -5.01 119.66 117.08 2aiz s GLN 15 Ca 0.43 0.20 0.00 0.00 -1.82 0.00 0.00 55.36 54.18 2aiz s GLN 15 Cb -0.07 0.12 0.02 0.00 -1.09 0.00 0.00 33.01 31.99 2aiz s GLN 15 CO 0.10 -0.07 -0.14 -0.08 -1.32 0.00 0.00 175.29 173.78 2aiz s THR 16 N 2.58 1.54 -0.50 3.63 -1.32 -1.26 -4.19 115.64 116.12 2aiz s THR 16 Ca -0.03 -0.63 -0.21 0.00 -1.21 0.00 0.00 61.69 59.60 2aiz s THR 16 Cb -0.06 -1.46 0.04 0.00 -1.51 0.00 0.00 72.50 69.51 2aiz s THR 16 CO -0.12 0.44 0.75 -0.36 -2.21 0.00 0.00 174.62 173.12 2aiz s PHE 17 N 1.50 2.97 0.00 9.09 0.08 0.49 -4.16 117.98 127.94 2aiz s PHE 17 Ca 0.05 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2aiz s PHE 17 Cb -0.13 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.64 2aiz s PHE 17 CO -0.11 -1.09 0.00 0.41 -0.10 0.00 0.00 175.22 174.33 2aiz n GLY 18 N 5.10 0.10 0.00 4.36 0.00 -1.26 -2.72 105.19 110.77 2aiz n GLY 18 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.21 2.98 3.55 -0.02 0.00 -1.26 -4.79 105.19 105.85 2aiz n GLY 19 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.12 2.44 0.13 1.61 2.02 -1.10 -4.93 117.35 117.40 2aiz s TYR 20 Ca 0.00 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 2aiz s TYR 20 Cb 0.00 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 2aiz s TYR 20 CO 0.00 0.63 0.21 -1.12 -1.57 0.00 0.00 175.55 173.70 2aiz s SER 21 N -3.60 6.03 0.25 2.29 0.01 -1.26 0.19 113.70 117.61 2aiz s SER 21 Ca 0.32 0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.55 2aiz s SER 21 Cb -0.03 -1.74 0.37 0.00 0.21 0.00 0.00 66.02 64.83 2aiz s SER 21 CO 0.17 0.09 1.50 0.52 0.41 0.00 0.00 173.24 175.93 2aiz n VAL 22 N -0.26 -0.44 0.25 3.43 0.31 -1.26 0.11 118.33 120.47 2aiz n VAL 22 Ca -0.07 2.22 0.15 0.00 -0.01 0.00 0.00 64.34 66.63 2aiz n VAL 22 Cb 0.53 -3.03 0.82 0.00 -0.91 0.00 0.00 33.84 31.25 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 1.72 1.08 0.02 3.52 0.00 -1.95 0.17 119.26 123.83 2aiz h ALA 23 Ca 0.42 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.94 2aiz h ALA 23 Cb 0.66 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2aiz h ALA 23 CO -0.98 -0.08 -2.40 -3.47 0.00 0.00 0.00 179.25 172.32 2aiz n ASP 24 N -2.61 2.00 0.27 0.00 2.03 0.30 -3.98 116.55 114.57 2aiz n ASP 24 Ca -0.02 -0.07 0.16 0.00 0.52 0.00 0.00 54.79 55.39 2aiz n ASP 24 Cb 0.14 -0.50 0.70 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.02 0.00 0.00 -2.67 3.38 -0.28 1.18 115.31 116.89 2aiz h LEU 25 Ca -0.56 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 2aiz h LEU 25 Cb 1.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 2aiz h LEU 25 CO -0.07 0.04 -0.93 1.56 0.09 0.00 0.00 178.44 179.12 2aiz h GLN 26 N 0.00 0.00 0.00 1.13 1.08 -0.87 -3.40 115.11 113.05 2aiz h GLN 26 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2aiz h GLN 26 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2aiz h GLN 26 CO 0.00 0.05 0.00 0.00 -0.95 0.00 0.00 178.83 177.94 2aiz n GLN 27 N -2.77 0.00 -0.00 1.46 10.64 -1.12 -4.99 117.38 120.60 2aiz n GLN 27 Ca -0.01 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2aiz n GLN 27 Cb 0.59 -0.15 -0.00 0.00 -0.86 0.00 0.00 30.24 29.82 2aiz n GLN 27 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2aiz n ARG 28 N 0.00 0.03 -3.60 2.61 0.63 0.39 -4.92 116.66 111.81 2aiz n ARG 28 Ca 0.00 0.01 -0.39 0.00 -0.92 0.00 0.00 57.85 56.56 2aiz n ARG 28 Cb 0.09 -0.38 -0.07 0.00 0.45 0.00 0.00 32.46 32.55 2aiz n ARG 28 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2aiz s TYR 29 N -1.14 3.71 0.00 -0.14 2.02 -0.48 -4.69 117.35 116.63 2aiz s TYR 29 Ca -0.02 -2.73 0.00 0.00 -0.37 0.00 0.00 57.07 53.95 2aiz s TYR 29 Cb 0.00 -3.35 0.00 0.00 -0.40 0.00 0.00 41.96 38.21 2aiz s TYR 29 CO 0.02 -0.83 0.71 0.27 -1.57 0.00 0.00 175.55 174.15 2aiz n ASN 30 N 3.04 0.00 -4.07 2.29 2.04 -1.26 -4.65 115.26 112.65 2aiz n ASN 30 Ca 0.15 -1.45 -0.27 0.00 -0.44 0.00 0.00 54.58 52.57 2aiz n ASN 30 Cb 0.39 -0.09 -0.17 0.00 -2.53 0.00 0.00 39.78 37.38 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 1.38 0.09 5.53 2.01 -1.26 0.12 115.64 123.51 2aiz s THR 31 Ca 0.00 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2aiz s THR 31 Cb 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2aiz s THR 31 CO 0.00 0.41 0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 2aiz s VAL 32 N 0.64 4.16 -0.20 3.82 1.01 -0.94 -4.96 120.40 123.93 2aiz s VAL 32 Ca -0.14 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.90 2aiz s VAL 32 Cb -0.16 -3.00 0.04 0.00 0.00 0.00 0.00 36.38 33.26 2aiz s VAL 32 CO 0.04 0.10 -0.15 -0.31 0.00 0.00 0.00 175.10 174.79 2aiz s TYR 33 N -1.37 2.77 0.40 5.22 1.51 -1.26 -1.43 117.35 123.20 2aiz s TYR 33 Ca 0.27 -1.78 0.05 0.00 -1.01 0.00 0.00 57.07 54.61 2aiz s TYR 33 Cb -0.12 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 2aiz s TYR 33 CO 0.20 -0.80 0.57 -0.06 -1.11 0.00 0.00 175.55 174.34 2aiz s PHE 34 N 1.28 3.01 0.00 2.71 0.08 0.50 -4.94 117.98 120.63 2aiz s PHE 34 Ca -0.00 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.87 2aiz s PHE 34 Cb -0.16 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2aiz s PHE 34 CO -0.10 -0.30 0.00 0.41 -0.10 0.00 0.00 175.22 175.14 2aiz n GLY 35 N -1.86 3.98 3.68 4.36 0.00 -1.26 -4.62 105.19 109.46 2aiz n GLY 35 Ca 0.03 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 0.16 2.31 -1.03 1.61 5.36 -1.26 -2.03 117.98 123.10 2aiz s PHE 36 Ca 0.00 0.33 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2aiz s PHE 36 Cb 0.00 -3.91 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 2aiz s PHE 36 CO 0.00 -3.71 0.00 -3.47 -1.46 0.00 0.00 175.22 166.58 2aiz n ASP 37 N 6.10 -5.38 -4.68 6.13 2.03 -1.26 -4.95 116.55 114.54 2aiz n ASP 37 Ca 0.16 0.24 -0.39 0.00 0.52 0.00 0.00 54.79 55.32 2aiz n ASP 37 Cb 0.42 -3.74 -0.06 0.00 -0.72 0.00 0.00 41.12 37.02 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 -2.70 4.24 -0.24 -0.67 3.01 -0.86 -4.95 119.74 117.57 2aiz s LYS 38 Ca 0.00 0.47 0.14 0.00 -1.01 0.00 0.00 55.97 55.57 2aiz s LYS 38 Cb 0.00 -3.53 0.47 0.00 -1.01 0.00 0.00 37.83 33.76 2aiz s LYS 38 CO 0.00 -0.08 1.17 2.48 0.51 0.00 0.00 175.35 179.43 2aiz n TYR 39 N 4.53 1.61 -3.82 3.18 4.11 -1.26 -4.48 117.16 121.03 2aiz n TYR 39 Ca -0.05 -1.91 -0.12 0.00 -0.00 0.00 0.00 57.90 55.82 2aiz n TYR 39 Cb 0.51 -0.27 -0.09 0.00 -0.00 0.00 0.00 39.34 39.48 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 -3.45 -0.08 0.55 9.48 1.11 -1.26 -4.75 116.67 118.28 2aiz s ASP 40 Ca 0.40 -0.05 -0.05 0.00 0.18 0.00 0.00 52.55 53.03 2aiz s ASP 40 Cb 0.37 0.26 0.00 0.00 1.07 0.00 0.00 42.92 44.63 2aiz s ASP 40 CO -0.02 -0.40 0.85 -0.63 1.18 0.00 0.00 175.17 176.14 2aiz s ILE 41 N -1.33 3.87 0.11 0.77 1.09 -1.26 -4.93 121.20 119.53 2aiz s ILE 41 Ca -0.14 -0.06 0.07 0.00 -1.10 0.00 0.00 60.65 59.43 2aiz s ILE 41 Cb -0.06 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.79 2aiz s ILE 41 CO 0.03 -0.49 -0.08 0.42 -0.10 0.00 0.00 174.94 174.72 2aiz s THR 42 N -2.89 3.46 0.50 2.92 -4.23 -1.26 -5.00 115.64 109.14 2aiz s THR 42 Ca 0.52 -1.28 0.38 0.00 -1.18 0.00 0.00 61.69 60.14 2aiz s THR 42 Cb -0.10 -2.64 0.59 0.00 1.34 0.00 0.00 72.50 71.68 2aiz s THR 42 CO 0.44 0.08 1.64 1.23 -0.54 0.00 0.00 174.62 177.46 2aiz h GLY 43 N 3.47 0.64 1.68 3.99 0.00 -1.99 0.90 103.07 111.76 2aiz h GLY 43 Ca -0.48 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2aiz h GLY 43 CO 0.54 -0.19 0.01 -2.09 0.00 0.00 0.00 176.54 174.81 2aiz h GLU 44 N 0.05 0.41 -0.25 4.80 4.81 -2.04 -2.60 114.58 119.76 2aiz h GLU 44 Ca 0.82 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.98 2aiz h GLU 44 Cb 2.94 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 32.25 2aiz h GLU 44 CO -0.21 0.43 0.00 0.66 -0.73 0.00 0.00 179.01 179.16 2aiz n TYR 45 N -4.33 0.31 -0.13 0.92 4.01 0.31 -4.46 117.16 113.78 2aiz n TYR 45 Ca 0.01 -0.18 -0.13 0.00 -0.16 0.00 0.00 57.90 57.44 2aiz n TYR 45 Cb 0.21 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.22 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 3.94 1.27 -0.91 -0.72 2.07 -0.92 -3.20 116.25 117.78 2aiz h VAL 46 Ca 0.00 -1.47 0.26 0.00 0.82 0.00 0.00 66.70 66.31 2aiz h VAL 46 Cb 0.88 1.31 -0.15 0.00 -1.52 0.00 0.00 31.29 31.81 2aiz h VAL 46 CO 0.00 0.50 0.23 1.56 0.02 0.00 0.00 177.57 179.88 2aiz h GLN 47 N 0.75 0.15 -0.08 1.57 1.08 -1.78 0.95 115.11 117.74 2aiz h GLN 47 Ca 0.08 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2aiz h GLN 47 Cb 0.89 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.25 2aiz h GLN 47 CO 0.08 0.10 -0.09 0.82 -0.95 0.00 0.00 178.83 178.79 2aiz h ILE 48 N 0.16 0.73 -0.82 2.54 2.04 -1.87 0.25 117.51 120.53 2aiz h ILE 48 Ca 0.59 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.62 2aiz h ILE 48 Cb 1.25 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 2aiz h ILE 48 CO -0.71 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 177.91 2aiz h LEU 49 N -0.12 0.40 0.01 1.44 4.07 -0.95 0.75 115.31 120.91 2aiz h LEU 49 Ca 0.07 0.03 -0.27 0.00 0.08 0.00 0.00 57.88 57.78 2aiz h LEU 49 Cb 0.22 -0.05 0.02 0.00 1.08 0.00 0.00 40.66 41.93 2aiz h LEU 49 CO -0.16 0.19 -1.11 0.44 -1.08 0.00 0.00 178.44 176.72 2aiz h ASP 50 N 0.41 0.82 0.03 -0.43 5.19 -0.68 -2.13 116.42 119.64 2aiz h ASP 50 Ca 0.41 -0.70 -0.00 0.00 -0.62 0.00 0.00 57.03 56.12 2aiz h ASP 50 Cb 0.99 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2aiz h ASP 50 CO -0.14 1.50 -0.02 0.00 -3.12 0.00 0.00 179.24 177.47 2aiz h ALA 51 N 0.43 -0.04 -0.60 3.45 0.00 0.13 -2.47 119.26 120.15 2aiz h ALA 51 Ca -0.14 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2aiz h ALA 51 Cb 1.76 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2aiz h ALA 51 CO 0.21 -0.23 0.40 0.45 0.00 0.00 0.00 179.25 180.08 2aiz h HIS 52 N -0.63 0.75 -0.66 0.00 3.86 0.30 -1.98 115.15 116.80 2aiz h HIS 52 Ca -0.00 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 2aiz h HIS 52 Cb 0.58 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 2aiz h HIS 52 CO 0.12 0.47 0.23 0.00 0.86 0.00 0.00 177.93 179.61 2aiz h ALA 53 N 1.62 0.86 -0.62 2.45 0.00 -1.37 0.42 119.26 122.62 2aiz h ALA 53 Ca 0.22 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2aiz h ALA 53 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2aiz h ALA 53 CO -0.05 0.52 0.03 0.00 0.00 0.00 0.00 179.25 179.75 2aiz h ALA 54 N 1.09 0.87 -0.09 0.00 0.00 -0.89 -1.94 119.26 118.31 2aiz h ALA 54 Ca 0.22 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2aiz h ALA 54 Cb 0.27 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2aiz h ALA 54 CO -0.01 0.67 -0.86 -0.92 0.00 0.00 0.00 179.25 178.13 2aiz h TYR 55 N 0.99 0.95 -0.72 0.00 3.20 -1.13 -2.23 116.97 118.02 2aiz h TYR 55 Ca 0.18 -0.45 -0.02 0.00 3.14 0.00 0.00 58.73 61.57 2aiz h TYR 55 Cb 0.53 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2aiz h TYR 55 CO 0.04 1.28 0.36 1.25 -1.64 0.00 0.00 178.16 179.44 2aiz h LEU 56 N 0.43 0.94 -0.27 2.82 5.85 -0.06 -2.79 115.31 122.23 2aiz h LEU 56 Ca -0.07 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.35 2aiz h LEU 56 Cb 1.49 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2aiz h LEU 56 CO 0.17 0.80 -0.49 -1.13 -0.34 0.00 0.00 178.44 177.45 2aiz h ASN 57 N 1.01 0.90 -0.50 1.25 -1.24 -1.39 -3.06 115.58 112.55 2aiz h ASN 57 Ca 0.25 -0.53 0.14 0.00 0.71 0.00 0.00 56.30 56.87 2aiz h ASN 57 Cb 0.10 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 2aiz h ASN 57 CO -0.03 1.26 0.42 0.00 -1.29 0.00 0.00 177.43 177.79 2aiz h ALA 58 N 0.67 2.33 -3.07 1.57 0.00 -1.14 -3.36 119.26 116.26 2aiz h ALA 58 Ca 0.02 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 2aiz h ALA 58 Cb 1.09 0.04 -0.27 0.00 0.00 0.00 0.00 17.79 18.65 2aiz h ALA 58 CO 0.11 -0.68 -0.65 0.95 0.00 0.00 0.00 179.25 178.98 2aiz s THR 59 N -4.82 3.76 0.11 0.00 -4.23 -1.09 -5.02 115.64 104.36 2aiz s THR 59 Ca -0.05 -0.74 -0.33 0.00 -1.18 0.00 0.00 61.69 59.39 2aiz s THR 59 Cb 0.18 -2.93 -0.12 0.00 1.34 0.00 0.00 72.50 70.97 2aiz s THR 59 CO 0.65 0.11 1.57 -0.65 -0.54 0.00 0.00 174.62 175.76 2aiz h PRO 60 N 8.19 -0.64 -0.89 3.99 0.11 -1.81 -2.22 132.00 138.74 2aiz h PRO 60 Ca -0.32 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 2aiz h PRO 60 Cb 1.12 0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 2aiz h PRO 60 CO 0.60 -0.43 0.07 0.00 -0.21 0.00 0.00 178.00 178.03 2aiz n ALA 61 N -2.93 3.24 -2.66 -0.75 0.00 -1.26 -4.87 120.51 111.29 2aiz n ALA 61 Ca -0.07 -0.85 -0.40 0.00 0.00 0.00 0.00 53.44 52.12 2aiz n ALA 61 Cb 0.40 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 3.55 -0.04 0.00 0.00 -0.84 -5.06 121.76 117.81 2aiz s ALA 62 Ca 0.21 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.83 2aiz s ALA 62 Cb 0.17 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2aiz s ALA 62 CO 0.06 -0.52 -0.14 -1.59 0.00 0.00 0.00 175.76 173.56 2aiz s LYS 63 N 1.83 1.58 0.05 0.00 -2.85 -1.26 -4.77 119.74 114.32 2aiz s LYS 63 Ca 0.26 -0.49 -0.06 0.00 -1.00 0.00 0.00 55.97 54.67 2aiz s LYS 63 Cb -0.16 -1.37 -0.05 0.00 -2.06 0.00 0.00 37.83 34.20 2aiz s LYS 63 CO 0.10 0.16 0.30 0.54 0.10 0.00 0.00 175.35 176.55 2aiz s VAL 64 N 0.22 5.26 -0.32 1.79 0.11 0.16 -4.83 120.40 122.79 2aiz s VAL 64 Ca -0.06 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2aiz s VAL 64 Cb -0.12 -3.59 0.08 0.00 -1.53 0.00 0.00 36.38 31.22 2aiz s VAL 64 CO 0.02 0.28 0.02 -0.22 -3.33 0.00 0.00 175.10 171.87 2aiz s LEU 65 N -2.01 4.26 -0.50 2.54 0.20 0.34 0.29 118.68 123.80 2aiz s LEU 65 Ca 0.31 -1.69 -0.27 0.00 0.69 0.00 0.00 54.13 53.17 2aiz s LEU 65 Cb -0.13 -1.66 0.03 0.00 -0.43 0.00 0.00 46.19 44.00 2aiz s LEU 65 CO 0.19 -0.32 1.03 -0.69 -0.29 0.00 0.00 176.35 176.26 2aiz s VAL 66 N 1.09 4.31 -0.31 1.68 1.01 0.20 0.15 120.40 128.53 2aiz s VAL 66 Ca 0.01 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 2aiz s VAL 66 Cb -0.20 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 2aiz s VAL 66 CO -0.05 -1.02 0.25 -0.70 0.00 0.00 0.00 175.10 173.58 2aiz s GLU 67 N 4.18 3.73 0.08 2.72 2.12 -0.85 -0.77 118.70 129.92 2aiz s GLU 67 Ca 0.40 -0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.35 2aiz s GLU 67 Cb -0.09 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 2aiz s GLU 67 CO 0.26 -0.34 0.03 0.20 -0.54 0.00 0.00 175.26 174.88 2aiz s GLY 68 N 1.73 1.96 -0.26 -1.50 0.00 -0.27 0.89 107.32 109.87 2aiz s GLY 68 Ca 0.08 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 2aiz s GLY 68 CO 0.11 -1.04 0.42 0.54 0.00 0.00 0.00 173.10 173.13 2aiz s ASN 69 N -2.29 -0.04 0.10 1.64 2.20 -0.20 -0.81 114.94 115.54 2aiz s ASN 69 Ca 0.27 0.26 0.02 0.00 -0.94 0.00 0.00 52.86 52.46 2aiz s ASN 69 Cb -0.12 1.30 0.02 0.00 -2.00 0.00 0.00 41.25 40.45 2aiz s ASN 69 CO 0.19 -0.30 0.13 0.35 -2.94 0.00 0.00 177.10 174.54 2aiz n THR 70 N 5.37 0.00 -1.98 0.54 -2.24 -1.26 -1.99 114.28 112.73 2aiz n THR 70 Ca -0.03 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.03 2aiz n THR 70 Cb 0.50 -0.88 0.01 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.62 5.86 0.49 3.42 -4.77 -1.26 -4.55 116.67 114.24 2aiz s ASP 71 Ca 0.10 2.64 0.22 0.00 -3.30 0.00 0.00 52.55 52.21 2aiz s ASP 71 Cb -0.01 -2.63 1.27 0.00 -1.09 0.00 0.00 42.92 40.47 2aiz s ASP 71 CO 0.06 -1.16 2.05 1.05 0.70 0.00 0.00 175.17 177.87 2aiz h GLU 72 N 2.06 0.00 -5.87 2.11 9.09 -1.96 -3.43 114.58 116.58 2aiz h GLU 72 Ca -0.50 0.00 -0.76 0.00 0.05 0.00 0.00 59.36 58.15 2aiz h GLU 72 Cb 1.27 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.33 2aiz h GLU 72 CO 0.60 0.14 1.23 0.54 0.05 0.00 0.00 179.01 181.58 2aiz n ARG 73 N -3.94 0.00 0.00 1.06 5.12 -1.26 -4.39 116.66 113.25 2aiz n ARG 73 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2aiz n ARG 73 Cb 0.23 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 7.02 0.18 3.34 -0.13 0.00 -1.26 -4.85 105.19 109.49 2aiz n GLY 74 Ca 0.52 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 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 2.01 0.38 2.61 -4.23 -1.26 -4.94 115.64 110.20 2aiz s THR 75 Ca 0.00 -1.57 0.22 0.00 -1.18 0.00 0.00 61.69 59.16 2aiz s THR 75 Cb 0.00 -1.78 0.38 0.00 1.34 0.00 0.00 72.50 72.45 2aiz s THR 75 CO 0.00 0.10 1.61 1.55 -0.54 0.00 0.00 174.62 177.35 2aiz h PRO 76 N 4.20 0.11 -0.81 3.99 0.13 -1.90 1.18 132.00 138.89 2aiz h PRO 76 Ca -0.48 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2aiz h PRO 76 Cb 1.17 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2aiz h PRO 76 CO 0.40 0.07 0.43 1.49 -0.23 0.00 0.00 178.00 180.16 2aiz h GLU 77 N 0.11 1.15 -0.05 0.86 4.57 -1.95 0.71 114.58 119.98 2aiz h GLU 77 Ca 0.81 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.79 2aiz h GLU 77 Cb 2.18 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 30.56 2aiz h GLU 77 CO -0.63 0.86 -0.18 -0.92 -1.18 0.00 0.00 179.01 176.97 2aiz h TYR 78 N 1.14 0.27 0.00 0.92 5.03 0.86 -2.43 116.97 122.76 2aiz h TYR 78 Ca 0.28 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.48 2aiz h TYR 78 Cb 0.07 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2aiz h TYR 78 CO 0.01 0.81 0.00 0.09 -1.32 0.00 0.00 178.16 177.74 2aiz n ASN 79 N -4.58 0.00 -0.29 -2.11 5.03 0.48 -1.64 115.26 112.15 2aiz n ASN 79 Ca -0.08 0.57 0.27 0.00 0.87 0.00 0.00 54.58 56.21 2aiz n ASN 79 Cb 0.42 -0.19 0.48 0.00 -1.02 0.00 0.00 39.78 39.47 2aiz n ASN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2aiz n ILE 80 N -1.06 -0.28 0.19 2.41 3.06 0.25 0.10 119.36 124.04 2aiz n ILE 80 Ca 0.00 1.50 -0.08 0.00 -2.50 0.00 0.00 62.75 61.68 2aiz n ILE 80 Cb 0.00 -2.45 -0.04 0.00 0.54 0.00 0.00 39.64 37.69 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 1.43 -0.82 -0.29 1.51 0.00 -1.39 0.95 119.26 120.66 2aiz h ALA 81 Ca 0.67 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 2aiz h ALA 81 Cb 1.92 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 2aiz h ALA 81 CO -0.51 -0.78 -0.00 1.37 0.00 0.00 0.00 179.25 179.33 2aiz h LEU 82 N -0.68 0.40 0.15 0.00 -0.00 -0.06 -1.44 115.31 113.69 2aiz h LEU 82 Ca -0.05 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2aiz h LEU 82 Cb 0.39 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 2aiz h LEU 82 CO 0.09 0.47 -0.07 1.23 -0.00 0.00 0.00 178.44 180.15 2aiz h GLY 83 N 0.75 -0.21 0.12 0.17 0.00 0.66 -2.74 103.07 101.82 2aiz h GLY 83 Ca 0.09 0.08 0.23 0.00 0.00 0.00 0.00 47.33 47.74 2aiz h GLY 83 CO 0.01 -0.08 0.64 -1.61 0.00 0.00 0.00 176.54 175.50 2aiz h GLN 84 N -0.60 0.34 -0.71 4.80 5.75 0.12 0.59 115.11 125.40 2aiz h GLN 84 Ca -0.02 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2aiz h GLN 84 Cb 0.45 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 2aiz h GLN 84 CO 0.03 0.22 0.47 0.07 -2.65 0.00 0.00 178.83 176.98 2aiz h ARG 85 N 0.35 0.93 -0.73 1.69 -0.00 -0.98 0.27 114.38 115.91 2aiz h ARG 85 Ca 0.51 -0.06 0.07 0.00 -0.00 0.00 0.00 59.98 60.50 2aiz h ARG 85 Cb 1.38 -0.21 -0.06 0.00 -0.00 0.00 0.00 29.97 31.08 2aiz h ARG 85 CO -0.19 0.61 0.41 0.00 -0.00 0.00 0.00 179.97 180.80 2aiz h ARG 86 N 0.95 0.72 -0.40 0.08 3.08 0.43 0.41 114.38 119.65 2aiz h ARG 86 Ca 0.26 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.32 2aiz h ARG 86 Cb -0.10 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 2aiz h ARG 86 CO -0.06 0.47 0.27 0.00 -1.07 0.00 0.00 179.97 179.59 2aiz h ALA 87 N 1.38 1.97 -0.12 0.04 0.00 -0.50 0.30 119.26 122.33 2aiz h ALA 87 Ca 0.33 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2aiz h ALA 87 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2aiz h ALA 87 CO -0.20 -0.05 -0.38 -0.44 0.00 0.00 0.00 179.25 178.18 2aiz h ASP 88 N 0.32 0.27 0.67 0.00 5.19 0.17 -0.50 116.42 122.54 2aiz h ASP 88 Ca 0.18 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2aiz h ASP 88 Cb 0.30 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.74 2aiz h ASP 88 CO -0.04 0.63 -0.32 0.00 -3.12 0.00 0.00 179.24 176.39 2aiz h ALA 89 N 1.38 -0.90 -0.21 3.45 0.00 0.10 -0.81 119.26 122.27 2aiz h ALA 89 Ca 0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2aiz h ALA 89 Cb 0.78 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2aiz h ALA 89 CO 0.06 -1.00 -0.33 0.28 0.00 0.00 0.00 179.25 178.26 2aiz h VAL 90 N -0.91 1.29 0.15 0.00 2.07 -1.44 -2.16 116.25 115.24 2aiz h VAL 90 Ca -0.09 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 2aiz h VAL 90 Cb 0.70 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2aiz h VAL 90 CO 0.15 0.44 -0.09 0.50 0.02 0.00 0.00 177.57 178.59 2aiz h LYS 91 N 0.38 -0.23 0.00 1.57 3.11 -0.95 -2.30 116.57 118.14 2aiz h LYS 91 Ca 0.05 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.85 2aiz h LYS 91 Cb 0.77 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.05 2aiz h LYS 91 CO 0.06 -0.15 -0.26 0.78 -2.81 0.00 0.00 179.45 177.07 2aiz h GLY 92 N -0.24 0.00 0.89 5.01 0.00 -1.12 -2.10 103.07 105.51 2aiz h GLY 92 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2aiz h GLY 92 CO 0.01 0.00 -0.43 -1.82 0.00 0.00 0.00 176.54 174.30 2aiz h TYR 93 N 0.00 -1.11 -0.02 5.60 5.03 -0.86 0.12 116.97 125.73 2aiz h TYR 93 Ca -0.00 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2aiz h TYR 93 Cb 0.62 0.37 -0.00 0.00 1.55 0.00 0.00 36.73 39.26 2aiz h TYR 93 CO 0.00 -0.69 0.01 -0.07 -1.32 0.00 0.00 178.16 176.09 2aiz h LEU 94 N -1.19 0.00 -0.62 2.82 3.38 -1.41 -1.08 115.31 117.20 2aiz h LEU 94 Ca -0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2aiz h LEU 94 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2aiz h LEU 94 CO 0.20 0.00 0.23 0.00 0.09 0.00 0.00 178.44 178.96 2aiz h ALA 95 N 1.99 0.81 0.00 1.53 0.00 -0.85 -1.85 119.26 120.89 2aiz h ALA 95 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2aiz h ALA 95 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2aiz h ALA 95 CO -0.00 0.44 -0.06 0.78 0.00 0.00 0.00 179.25 180.41 2aiz h GLY 96 N 0.87 0.00 2.00 0.00 0.00 0.50 -2.42 103.07 104.02 2aiz h GLY 96 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2aiz h GLY 96 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 2aiz n LYS 97 N -3.18 0.06 0.00 4.80 5.02 -0.76 -4.87 118.16 119.24 2aiz n LYS 97 Ca 0.01 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2aiz n LYS 97 Cb 0.36 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.85 0.98 3.72 0.72 0.00 -0.91 -5.09 105.19 105.45 2aiz n GLY 98 Ca 0.05 0.00 -0.41 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 4.81 1.10 1.61 1.01 -0.81 -5.02 120.40 121.09 2aiz s VAL 99 Ca 0.00 1.88 -0.13 0.00 0.00 0.00 0.00 61.98 63.73 2aiz s VAL 99 Cb 0.00 -4.24 0.23 0.00 0.00 0.00 0.00 36.38 32.37 2aiz s VAL 99 CO 0.00 0.24 0.94 -0.90 0.00 0.00 0.00 175.10 175.38 2aiz n ASP 100 N 3.48 -1.28 0.08 3.32 5.68 -1.26 -4.07 116.55 122.50 2aiz n ASP 100 Ca 0.03 0.01 -0.09 0.00 -0.50 0.00 0.00 54.79 54.24 2aiz n ASP 100 Cb 0.51 -1.29 -0.06 0.00 -1.14 0.00 0.00 41.12 39.14 2aiz n ASP 100 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2aiz h ALA 101 N -2.40 0.43 0.00 2.12 0.00 -1.96 -3.21 119.26 114.24 2aiz h ALA 101 Ca -0.56 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 53.54 2aiz h ALA 101 Cb 1.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2aiz h ALA 101 CO 0.45 1.04 -0.02 0.78 0.00 0.00 0.00 179.25 181.50 2aiz h GLY 102 N 2.24 0.00 0.96 0.00 0.00 -2.01 -1.31 103.07 102.95 2aiz h GLY 102 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2aiz h GLY 102 CO 0.14 0.00 -0.66 0.28 0.00 0.00 0.00 176.54 176.30 2aiz n LYS 103 N -3.26 0.16 -3.49 4.80 5.02 -1.21 -4.89 118.16 115.28 2aiz n LYS 103 Ca -0.02 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 2aiz n LYS 103 Cb 0.14 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 2aiz n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aiz s LEU 104 N -3.62 4.20 -0.08 -0.35 1.43 -0.50 0.39 118.68 120.16 2aiz s LEU 104 Ca 0.08 0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 2aiz s LEU 104 Cb 0.15 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.85 2aiz s LEU 104 CO 0.73 -0.03 0.21 -0.83 0.23 0.00 0.00 176.35 176.66 2aiz s GLY 105 N -2.35 -0.14 0.22 -3.19 0.00 0.15 -4.87 107.32 97.13 2aiz s GLY 105 Ca 0.45 0.69 0.11 0.00 0.00 0.00 0.00 44.72 45.96 2aiz s GLY 105 CO 0.22 0.71 -0.16 -0.51 0.00 0.00 0.00 173.10 173.36 2aiz s THR 106 N 0.45 2.74 0.10 0.90 -4.23 -1.26 0.60 115.64 114.94 2aiz s THR 106 Ca -0.03 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.23 2aiz s THR 106 Cb -0.04 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.49 2aiz s THR 106 CO -0.02 -0.21 0.64 -0.69 -0.54 0.00 0.00 174.62 173.80 2aiz s VAL 107 N -1.95 0.00 -0.28 2.29 1.01 0.05 -4.85 120.40 116.67 2aiz s VAL 107 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 2aiz s VAL 107 Cb -0.07 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.40 2aiz s VAL 107 CO 0.14 0.00 0.72 -0.55 0.00 0.00 0.00 175.10 175.40 2aiz s SER 108 N -2.38 -0.93 -0.02 3.32 0.15 -1.26 -1.12 113.70 111.46 2aiz s SER 108 Ca -0.01 1.45 -0.02 0.00 0.70 0.00 0.00 55.95 58.07 2aiz s SER 108 Cb -0.01 1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 65.82 2aiz s SER 108 CO -0.08 -0.22 -0.03 -1.22 1.20 0.00 0.00 173.24 172.89 2aiz n TYR 109 N 4.46 0.13 0.00 3.44 4.01 0.01 -4.77 117.16 124.44 2aiz n TYR 109 Ca -0.18 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2aiz n TYR 109 Cb 0.57 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 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 1.70 2.44 0.24 2.72 0.00 -1.26 -2.58 105.19 108.46 2aiz n GLY 110 Ca -0.01 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.78 2aiz n GLY 110 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2aiz h GLU 111 N 0.00 0.00 0.00 1.61 4.39 -1.82 -3.37 114.58 115.38 2aiz h GLU 111 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2aiz h GLU 111 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2aiz h GLU 111 CO 0.00 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.94 2aiz n GLU 112 N -3.08 0.00 -3.51 2.33 4.07 -1.06 -4.58 120.64 114.80 2aiz n GLU 112 Ca 0.02 0.63 -0.25 0.00 -0.06 0.00 0.00 57.16 57.51 2aiz n GLU 112 Cb 0.43 -1.30 -0.14 0.00 -0.06 0.00 0.00 31.44 30.37 2aiz n GLU 112 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2aiz s LYS 113 N -2.18 0.20 1.00 5.31 1.02 -1.26 -5.15 119.74 118.68 2aiz s LYS 113 Ca 0.00 -0.31 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 2aiz s LYS 113 Cb 0.00 -1.15 0.19 0.00 -0.52 0.00 0.00 37.83 36.35 2aiz s LYS 113 CO 0.00 -0.94 1.08 -2.14 -0.92 0.00 0.00 175.35 172.44 2aiz s PRO 114 N 2.19 0.41 0.00 -1.68 0.02 -1.26 -4.82 135.00 129.86 2aiz s PRO 114 Ca 0.08 0.74 0.00 0.00 0.02 0.00 0.00 61.00 61.84 2aiz s PRO 114 Cb -0.16 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.65 2aiz s PRO 114 CO -0.30 -2.80 0.00 0.00 -0.33 0.00 0.00 177.00 173.57 2aiz n ALA 115 N -4.26 0.00 -2.73 -1.55 0.00 -1.26 -4.93 120.51 105.78 2aiz n ALA 115 Ca 0.06 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 2aiz n ALA 115 Cb 0.56 0.00 -0.07 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 -0.23 5.33 0.33 0.00 1.01 -1.26 -5.06 120.40 120.51 2aiz s VAL 116 Ca 0.00 0.48 -0.28 0.00 0.00 0.00 0.00 61.98 62.18 2aiz s VAL 116 Cb 0.00 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 2aiz s VAL 116 CO 0.00 0.41 1.20 -0.22 0.00 0.00 0.00 175.10 176.49 2aiz s LEU 117 N 0.37 4.40 0.00 3.92 2.96 -1.26 -4.84 118.68 124.23 2aiz s LEU 117 Ca 0.15 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 2aiz s LEU 117 Cb -0.13 -3.75 0.00 0.00 0.50 0.00 0.00 46.19 42.82 2aiz s LEU 117 CO 0.03 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 2aiz n GLY 118 N 0.88 2.53 2.51 7.98 0.00 -1.26 -4.87 105.19 112.97 2aiz n GLY 118 Ca 0.01 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 2aiz n GLY 118 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2aiz s HIS 119 N -1.79 0.51 -0.13 1.61 2.46 -1.26 -4.76 115.29 111.93 2aiz s HIS 119 Ca 0.00 -1.39 -0.34 0.00 0.47 0.00 0.00 55.06 53.80 2aiz s HIS 119 Cb 0.00 -0.83 0.15 0.00 -0.13 0.00 0.00 32.58 31.76 2aiz s HIS 119 CO 0.00 -0.85 1.39 0.34 -2.47 0.00 0.00 174.74 173.16 2aiz s ASP 120 N 1.29 -0.02 0.59 9.88 2.15 -1.26 -4.99 116.67 124.31 2aiz s ASP 120 Ca 0.16 -0.03 0.33 0.00 0.43 0.00 0.00 52.55 53.45 2aiz s ASP 120 Cb -0.21 0.04 1.29 0.00 -0.30 0.00 0.00 42.92 43.75 2aiz s ASP 120 CO -0.05 -0.07 1.57 -0.33 -0.17 0.00 0.00 175.17 176.12 2aiz h GLU 121 N 2.00 0.00 0.27 4.34 4.39 -1.99 0.71 114.58 124.30 2aiz h GLU 121 Ca -0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2aiz h GLU 121 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2aiz h GLU 121 CO 0.27 0.00 -0.13 0.00 -1.16 0.00 0.00 179.01 177.99 2aiz h ALA 122 N 0.98 -0.87 -0.20 3.43 0.00 -1.98 0.19 119.26 120.82 2aiz h ALA 122 Ca 0.50 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 2aiz h ALA 122 Cb 2.52 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.44 2aiz h ALA 122 CO -0.01 -0.84 -0.48 0.00 0.00 0.00 0.00 179.25 177.92 2aiz h ALA 123 N -1.75 0.79 -0.23 0.00 0.00 -1.53 -2.20 119.26 114.34 2aiz h ALA 123 Ca -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2aiz h ALA 123 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2aiz h ALA 123 CO 0.06 0.67 0.01 1.88 0.00 0.00 0.00 179.25 181.87 2aiz h TYR 124 N 0.42 0.43 -0.19 0.00 -1.99 0.30 -0.66 116.97 115.27 2aiz h TYR 124 Ca 0.02 -0.07 -0.17 0.00 2.00 0.00 0.00 58.73 60.51 2aiz h TYR 124 Cb 1.00 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.61 2aiz h TYR 124 CO 0.04 0.55 -0.58 1.03 -0.00 0.00 0.00 178.16 179.20 2aiz h SER 125 N 0.17 0.70 1.60 3.88 0.87 -0.63 -2.31 113.55 117.82 2aiz h SER 125 Ca 0.07 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2aiz h SER 125 Cb 0.38 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2aiz h SER 125 CO 0.01 1.12 0.00 0.50 -0.53 0.00 0.00 176.83 177.93 2aiz h LYS 126 N 0.47 0.00 0.03 2.24 3.11 -1.41 -3.21 116.57 117.79 2aiz h LYS 126 Ca 0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.57 2aiz h LYS 126 Cb 1.14 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.34 2aiz h LYS 126 CO 0.11 0.00 -1.51 -0.91 -2.81 0.00 0.00 179.45 174.33 2aiz h ASN 127 N 0.00 0.09 -0.57 4.20 2.35 -1.00 -3.42 115.58 117.23 2aiz h ASN 127 Ca 0.00 -0.14 -0.34 0.00 -0.55 0.00 0.00 56.30 55.27 2aiz h ASN 127 Cb 0.80 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 2aiz h ASN 127 CO 0.00 1.12 1.01 -0.13 -1.65 0.00 0.00 177.43 177.78 2aiz s ARG 128 N -2.63 2.58 0.02 0.81 0.52 -0.88 -4.30 118.95 115.08 2aiz s ARG 128 Ca -0.05 -0.91 -0.16 0.00 -0.52 0.00 0.00 55.73 54.09 2aiz s ARG 128 Cb 0.08 -5.20 0.03 0.00 0.52 0.00 0.00 34.95 30.38 2aiz s ARG 128 CO 0.83 -3.70 0.35 -0.98 0.02 0.00 0.00 175.30 171.82 2aiz s ARG 129 N 6.54 0.82 -0.36 3.54 1.70 -0.84 -0.37 118.95 129.98 2aiz s ARG 129 Ca 0.68 -0.35 0.04 0.00 -0.47 0.00 0.00 55.73 55.63 2aiz s ARG 129 Cb -0.03 0.36 0.10 0.00 -0.57 0.00 0.00 34.95 34.82 2aiz s ARG 129 CO 0.08 -0.26 0.08 0.00 -1.08 0.00 0.00 175.30 174.12 2aiz s ALA 130 N -2.15 2.95 -0.40 7.88 0.00 -0.51 -1.04 121.76 128.48 2aiz s ALA 130 Ca -0.08 -2.60 -0.26 0.00 0.00 0.00 0.00 51.96 49.02 2aiz s ALA 130 Cb -0.02 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.11 2aiz s ALA 130 CO -0.00 -1.72 0.96 0.08 0.00 0.00 0.00 175.76 175.07 2aiz s VAL 131 N 0.81 4.50 -0.47 0.00 1.01 0.26 -2.22 120.40 124.30 2aiz s VAL 131 Ca 0.11 1.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.93 2aiz s VAL 131 Cb -0.20 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 2aiz s VAL 131 CO -0.07 -0.67 2.30 -0.76 0.00 0.00 0.00 175.10 175.90 2aiz s LEU 132 N 3.68 3.40 -0.25 3.92 2.01 0.32 -2.00 118.68 129.76 2aiz s LEU 132 Ca 0.39 1.10 -0.14 0.00 0.01 0.00 0.00 54.13 55.50 2aiz s LEU 132 Cb -0.11 -2.67 -0.04 0.00 0.01 0.00 0.00 46.19 43.38 2aiz s LEU 132 CO 0.22 -2.67 0.32 0.00 1.01 0.00 0.00 176.35 175.23 2aiz s ALA 133 N 11.19 3.57 -2.53 4.21 0.00 0.39 -4.90 121.76 133.69 2aiz s ALA 133 Ca 0.94 -0.80 0.28 0.00 0.00 0.00 0.00 51.96 52.38 2aiz s ALA 133 Cb -0.19 -2.59 1.00 0.00 0.00 0.00 0.00 23.12 21.34 2aiz s ALA 133 CO 0.27 -0.48 1.72 0.66 0.00 0.00 0.00 175.76 177.92