#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tza n LEU 4 N 0.00 -0.53 -4.50 0.00 7.94 -1.26 -4.91 117.00 113.74 1tza n LEU 4 Ca 0.00 -0.01 -0.29 0.00 -1.11 0.00 0.00 56.01 54.60 1tza n LEU 4 Cb 0.00 -1.26 0.25 0.00 0.53 0.00 0.00 43.42 42.94 1tza n LEU 4 CO 0.00 -3.06 0.53 -0.62 -1.11 0.00 0.00 177.39 173.13 1tza s ASP 5 N -2.34 0.81 0.00 1.96 2.15 -1.26 -3.03 116.67 114.96 1tza s ASP 5 Ca 0.66 1.20 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1tza s ASP 5 Cb -0.23 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 1tza s ASP 5 CO 0.64 -4.26 0.00 0.59 -0.17 0.00 0.00 175.17 171.97 1tza n ASN 6 N -4.92 0.00 0.03 -0.34 3.02 -1.26 -4.75 115.26 107.03 1tza n ASN 6 Ca 0.06 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 1tza n ASN 6 Cb 0.57 -0.37 0.52 0.00 -0.61 0.00 0.00 39.78 39.89 1tza n ASN 6 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1tza n SER 7 N 0.00 0.20 -4.16 6.41 3.41 -1.17 -4.60 113.62 113.71 1tza n SER 7 Ca 0.00 0.52 -0.33 0.00 -0.26 0.00 0.00 58.87 58.81 1tza n SER 7 Cb 0.00 -0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 63.21 1tza n SER 7 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1tza s ILE 8 N -3.04 2.14 -0.13 -1.33 -1.09 -1.26 -0.34 121.20 116.15 1tza s ILE 8 Ca 0.12 -0.93 -0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1tza s ILE 8 Cb 0.15 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 39.13 1tza s ILE 8 CO 0.49 0.54 -0.04 -0.60 -1.23 0.00 0.00 174.94 174.10 1tza s ARG 9 N 1.06 3.39 -0.19 2.79 3.52 0.04 -4.73 118.95 124.83 1tza s ARG 9 Ca -0.01 -0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 55.06 1tza s ARG 9 Cb -0.14 -2.82 -0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1tza s ARG 9 CO -0.07 0.39 -0.10 0.08 -0.81 0.00 0.00 175.30 174.79 1tza s VAL 10 N -0.03 2.99 -0.01 7.11 1.01 -1.26 -1.02 120.40 129.19 1tza s VAL 10 Ca 0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1tza s VAL 10 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1tza s VAL 10 CO 0.03 0.47 -0.09 -1.61 0.00 0.00 0.00 175.10 173.90 1tza s GLU 11 N 1.24 2.52 0.01 2.72 2.02 -0.57 -4.81 118.70 121.82 1tza s GLU 11 Ca 0.03 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.31 1tza s GLU 11 Cb -0.14 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 1tza s GLU 11 CO -0.04 0.61 -0.07 0.08 0.02 0.00 0.00 175.26 175.86 1tza s VAL 12 N -0.94 0.51 0.02 2.63 1.01 -1.26 -1.73 120.40 120.65 1tza s VAL 12 Ca 0.16 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1tza s VAL 12 Cb -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1tza s VAL 12 CO 0.06 0.01 -0.08 -0.54 0.00 0.00 0.00 175.10 174.55 1tza s LYS 13 N -0.51 0.55 0.27 2.72 1.02 -0.89 -5.02 119.74 117.88 1tza s LYS 13 Ca -0.00 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.46 1tza s LYS 13 Cb -0.04 -0.44 -0.05 0.00 -0.52 0.00 0.00 37.83 36.78 1tza s LYS 13 CO -0.00 0.10 0.10 0.95 -0.92 0.00 0.00 175.35 175.58 1tza s THR 14 N -0.81 0.59 -0.29 2.17 -4.23 -1.26 -0.50 115.64 111.30 1tza s THR 14 Ca -0.04 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 1tza s THR 14 Cb -0.07 -2.64 0.11 0.00 1.34 0.00 0.00 72.50 71.24 1tza s THR 14 CO 0.00 0.00 0.67 -0.70 -0.54 0.00 0.00 174.62 174.06 1tza s GLU 15 N -4.01 0.64 -0.04 3.99 2.12 -0.10 -4.97 118.70 116.32 1tza s GLU 15 Ca 0.37 1.34 -0.30 0.00 0.36 0.00 0.00 54.97 56.75 1tza s GLU 15 Cb 0.08 0.53 -0.05 0.00 0.26 0.00 0.00 34.13 34.95 1tza s GLU 15 CO 0.14 -0.18 1.53 -0.47 -0.54 0.00 0.00 175.26 175.74 1tza s TYR 16 N 2.31 2.39 -0.19 5.30 5.04 -1.26 -0.81 117.35 130.13 1tza s TYR 16 Ca -0.08 0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 54.90 1tza s TYR 16 Cb -0.09 -3.79 -0.10 0.00 0.35 0.00 0.00 41.96 38.33 1tza s TYR 16 CO -0.19 -3.15 -0.08 -0.89 -1.34 0.00 0.00 175.55 169.89 1tza n ILE 17 N 5.16 1.48 -3.62 3.14 2.08 0.89 -4.94 119.36 123.55 1tza n ILE 17 Ca 0.15 0.05 -0.09 0.00 0.56 0.00 0.00 62.75 63.42 1tza n ILE 17 Cb 0.43 -2.20 -0.06 0.00 -0.75 0.00 0.00 39.64 37.06 1tza n ILE 17 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1tza s GLU 18 N -2.40 0.46 -0.09 0.38 2.12 -1.12 -5.02 118.70 113.03 1tza s GLU 18 Ca -0.25 0.37 -0.25 0.00 0.36 0.00 0.00 54.97 55.21 1tza s GLU 18 Cb 0.05 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 1tza s GLU 18 CO 0.41 -0.09 0.78 -1.14 -0.54 0.00 0.00 175.26 174.69 1tza s GLN 19 N -0.25 4.42 -1.00 4.30 0.74 -1.26 -1.59 119.66 125.01 1tza s GLN 19 Ca 0.02 1.01 -0.05 0.00 0.05 0.00 0.00 55.36 56.39 1tza s GLN 19 Cb -0.03 -3.49 0.25 0.00 1.10 0.00 0.00 33.01 30.84 1tza s GLN 19 CO -0.05 -0.07 0.96 1.04 -0.55 0.00 0.00 175.29 176.62 1tza n GLN 20 N 4.22 3.10 -2.28 1.67 3.00 0.51 -4.98 117.38 122.63 1tza n GLN 20 Ca 0.02 -4.48 -0.42 0.00 -0.01 0.00 0.00 57.00 52.11 1tza n GLN 20 Cb 0.51 -2.48 -0.03 0.00 0.00 0.00 0.00 30.24 28.24 1tza n GLN 20 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1tza s SER 21 N 0.42 6.87 -0.16 1.08 0.01 -1.26 -2.60 113.70 118.07 1tza s SER 21 Ca 0.29 1.96 -0.05 0.00 1.31 0.00 0.00 55.95 59.47 1tza s SER 21 Cb -0.08 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.53 1tza s SER 21 CO -0.10 -0.75 -0.18 -1.20 0.41 0.00 0.00 173.24 171.42 1tza n SER 22 N 6.07 1.72 -4.30 2.44 7.64 -1.26 -5.02 113.62 120.92 1tza n SER 22 Ca 0.14 0.10 -0.30 0.00 1.01 0.00 0.00 58.87 59.82 1tza n SER 22 Cb 0.44 -0.39 -0.15 0.00 -1.01 0.00 0.00 64.21 63.10 1tza n SER 22 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1tza s GLU 26 N -2.29 1.89 0.11 1.43 -1.05 -1.26 -5.32 118.70 112.21 1tza s GLU 26 Ca -0.21 -0.96 0.05 0.00 -0.15 0.00 0.00 54.97 53.69 1tza s GLU 26 Cb 0.07 -1.92 -0.04 0.00 -0.44 0.00 0.00 34.13 31.81 1tza s GLU 26 CO 0.30 0.51 -0.12 0.15 0.95 0.00 0.00 175.26 177.06 1tza s LYS 27 N -0.83 0.91 -0.08 -4.83 -0.14 -1.07 -4.66 119.74 109.04 1tza s LYS 27 Ca 0.10 -1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 53.52 1tza s LYS 27 Cb -0.10 -0.68 0.03 0.00 -1.68 0.00 0.00 37.83 35.40 1tza s LYS 27 CO 0.00 0.12 -0.02 0.71 -0.76 0.00 0.00 175.35 175.40 1tza s TYR 28 N -2.28 0.84 -0.17 3.18 1.51 0.14 -0.37 117.35 120.20 1tza s TYR 28 Ca 0.06 -0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 55.65 1tza s TYR 28 Cb -0.04 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1tza s TYR 28 CO 0.01 -0.35 0.50 -1.17 -1.11 0.00 0.00 175.55 173.43 1tza s LEU 29 N 1.80 4.19 0.19 -1.29 2.96 -0.62 -0.10 118.68 125.82 1tza s LEU 29 Ca 0.03 0.71 0.11 0.00 -0.22 0.00 0.00 54.13 54.76 1tza s LEU 29 Cb -0.13 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1tza s LEU 29 CO -0.05 -0.11 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.28 1tza s PHE 30 N 1.26 2.18 0.15 5.38 0.08 -0.21 -0.08 117.98 126.74 1tza s PHE 30 Ca 0.24 -0.38 0.10 0.00 0.12 0.00 0.00 56.93 57.01 1tza s PHE 30 Cb -0.15 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 1tza s PHE 30 CO 0.10 0.47 -0.23 -1.54 -0.10 0.00 0.00 175.22 173.92 1tza s SER 31 N -2.73 3.05 -0.04 1.36 1.04 0.01 -1.49 113.70 114.90 1tza s SER 31 Ca 0.20 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 1tza s SER 31 Cb -0.07 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1tza s SER 31 CO 0.09 0.10 0.08 -0.72 0.98 0.00 0.00 173.24 173.78 1tza s TYR 32 N -1.41 -0.07 -0.24 5.02 -0.85 0.01 -0.93 117.35 118.88 1tza s TYR 32 Ca 0.14 0.27 -0.03 0.00 -0.52 0.00 0.00 57.07 56.93 1tza s TYR 32 Cb -0.09 -0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.17 1tza s TYR 32 CO 0.07 -0.10 -0.04 0.99 -1.52 0.00 0.00 175.55 174.95 1tza s THR 33 N 0.72 3.20 -0.10 -3.49 2.01 0.34 -0.96 115.64 117.36 1tza s THR 33 Ca -0.06 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1tza s THR 33 Cb -0.08 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1tza s THR 33 CO -0.03 0.29 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.50 1tza s ILE 34 N 1.41 3.70 -0.22 1.82 1.01 0.16 -2.10 121.20 126.97 1tza s ILE 34 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1tza s ILE 34 Cb -0.16 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.77 1tza s ILE 34 CO -0.03 0.56 -0.08 -0.89 0.00 0.00 0.00 174.94 174.49 1tza s THR 35 N -0.31 2.91 -0.34 2.92 2.01 -0.70 -1.27 115.64 120.86 1tza s THR 35 Ca 0.04 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1tza s THR 35 Cb -0.13 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1tza s THR 35 CO 0.02 0.37 0.18 -0.63 -0.69 0.00 0.00 174.62 173.87 1tza s ILE 36 N 1.38 4.57 -0.14 1.82 1.01 0.92 -1.52 121.20 129.24 1tza s ILE 36 Ca 0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 1tza s ILE 36 Cb -0.15 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1tza s ILE 36 CO -0.06 -0.09 -0.05 -0.51 0.00 0.00 0.00 174.94 174.24 1tza s ILE 37 N 1.58 3.83 -0.33 2.92 1.10 -0.19 -0.10 121.20 130.01 1tza s ILE 37 Ca 0.03 -0.39 -0.09 0.00 -0.51 0.00 0.00 60.65 59.69 1tza s ILE 37 Cb -0.18 -2.66 0.00 0.00 0.15 0.00 0.00 42.46 39.77 1tza s ILE 37 CO 0.06 0.51 0.16 0.21 -2.11 0.00 0.00 174.94 173.77 1tza s ASN 38 N 0.20 5.54 -0.10 4.50 2.47 -0.62 -0.78 114.94 126.15 1tza s ASN 38 Ca -0.03 -0.68 0.15 0.00 0.42 0.00 0.00 52.86 52.72 1tza s ASN 38 Cb -0.14 -1.99 0.49 0.00 -1.45 0.00 0.00 41.25 38.16 1tza s ASN 38 CO 0.03 -0.24 1.41 0.18 -3.72 0.00 0.00 177.10 174.76 1tza n LEU 39 N 4.97 3.75 -4.96 3.21 4.77 0.54 0.24 117.00 129.51 1tza n LEU 39 Ca -0.13 -2.51 -0.27 0.00 -0.03 0.00 0.00 56.01 53.07 1tza n LEU 39 Cb 0.48 -0.44 0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1tza n LEU 39 CO 0.34 0.73 0.72 -0.83 -1.33 0.00 0.00 177.39 177.02 1tza s GLY 40 N -1.34 1.77 0.09 -0.72 0.00 -1.17 -4.84 107.32 101.11 1tza s GLY 40 Ca 0.37 -1.51 -0.16 0.00 0.00 0.00 0.00 44.72 43.43 1tza s GLY 40 CO 0.15 -0.82 1.39 0.83 0.00 0.00 0.00 173.10 174.66 1tza h GLU 41 N -1.12 0.64 -6.00 2.90 4.39 -1.95 -3.40 114.58 110.03 1tza h GLU 41 Ca -0.40 -0.36 -0.54 0.00 0.34 0.00 0.00 59.36 58.40 1tza h GLU 41 Cb 1.25 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 1tza h GLU 41 CO 0.38 0.96 -0.42 1.14 -1.16 0.00 0.00 179.01 179.91 1tza s GLN 42 N -4.29 2.35 0.67 2.33 -2.07 -1.26 -4.78 119.66 112.61 1tza s GLN 42 Ca -0.13 -1.75 -0.12 0.00 -1.82 0.00 0.00 55.36 51.54 1tza s GLN 42 Cb 0.08 -2.15 -0.00 0.00 -1.09 0.00 0.00 33.01 29.84 1tza s GLN 42 CO 0.82 -0.22 1.06 0.00 -1.32 0.00 0.00 175.29 175.62 1tza s ALA 43 N -2.58 2.71 0.01 2.60 0.00 -1.26 -4.34 121.76 118.91 1tza s ALA 43 Ca 0.42 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1tza s ALA 43 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1tza s ALA 43 CO 0.24 -1.10 -0.03 0.00 0.00 0.00 0.00 175.76 174.88 1tza s ALA 44 N -2.90 0.15 -0.08 0.00 0.00 -0.99 -1.25 121.76 116.68 1tza s ALA 44 Ca 0.59 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1tza s ALA 44 Cb -0.14 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1tza s ALA 44 CO 0.50 -0.08 -0.12 0.21 0.00 0.00 0.00 175.76 176.28 1tza s LYS 45 N -0.90 2.81 -0.37 0.00 2.20 0.41 -0.35 119.74 123.54 1tza s LYS 45 Ca -0.09 -0.66 -0.21 0.00 -0.36 0.00 0.00 55.97 54.65 1tza s LYS 45 Cb -0.06 -2.50 0.01 0.00 -1.51 0.00 0.00 37.83 33.77 1tza s LYS 45 CO -0.00 0.52 0.69 -1.17 -0.36 0.00 0.00 175.35 175.02 1tza s LEU 46 N -0.44 4.25 -0.22 5.43 0.20 -0.45 -1.28 118.68 126.16 1tza s LEU 46 Ca 0.06 0.13 0.10 0.00 0.69 0.00 0.00 54.13 55.10 1tza s LEU 46 Cb -0.12 -2.86 -0.20 0.00 -0.43 0.00 0.00 46.19 42.58 1tza s LEU 46 CO 0.02 -0.68 -0.07 -0.62 -0.29 0.00 0.00 176.35 174.71 1tza n GLU 47 N 6.22 0.73 -4.17 1.98 1.02 0.64 -4.07 120.64 122.99 1tza n GLU 47 Ca 0.00 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 57.09 1tza n GLU 47 Cb 0.48 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.31 1tza n GLU 47 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1tza s THR 48 N -2.48 0.00 0.06 2.62 -4.23 -1.10 -0.09 115.64 110.42 1tza s THR 48 Ca -0.21 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.41 1tza s THR 48 Cb 0.07 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 1tza s THR 48 CO 0.69 -0.00 -0.06 0.00 -0.54 0.00 0.00 174.62 174.70 1tza s ARG 49 N -4.14 0.62 -0.31 3.99 1.70 -0.50 -0.48 118.95 119.84 1tza s ARG 49 Ca 0.36 -1.01 0.01 0.00 -0.47 0.00 0.00 55.73 54.63 1tza s ARG 49 Cb 0.06 -0.15 0.15 0.00 -0.57 0.00 0.00 34.95 34.43 1tza s ARG 49 CO 0.11 -0.01 0.34 -1.58 -1.08 0.00 0.00 175.30 173.09 1tza s HIS 50 N -2.51 -0.57 0.08 5.89 2.46 0.77 -2.36 115.29 119.06 1tza s HIS 50 Ca -0.01 -0.20 -0.07 0.00 0.47 0.00 0.00 55.06 55.26 1tza s HIS 50 Cb -0.02 -0.37 -0.05 0.00 -0.13 0.00 0.00 32.58 32.00 1tza s HIS 50 CO -0.03 -0.95 0.35 -1.58 -2.47 0.00 0.00 174.74 170.06 1tza s TRP 51 N 2.20 3.54 -0.18 3.88 0.23 0.46 -0.98 118.94 128.09 1tza s TRP 51 Ca 0.11 0.63 -0.02 0.00 -2.03 0.00 0.00 56.10 54.79 1tza s TRP 51 Cb -0.14 -2.05 0.06 0.00 0.03 0.00 0.00 33.47 31.37 1tza s TRP 51 CO -0.26 0.52 0.02 -1.50 0.96 0.00 0.00 176.95 176.69 1tza s ILE 52 N -1.46 0.60 -0.09 2.03 1.10 -0.45 -1.95 121.20 120.98 1tza s ILE 52 Ca 0.34 -0.54 0.00 0.00 -0.51 0.00 0.00 60.65 59.94 1tza s ILE 52 Cb -0.13 -1.05 -0.03 0.00 0.15 0.00 0.00 42.46 41.40 1tza s ILE 52 CO 0.20 -0.15 -0.08 -0.63 -2.11 0.00 0.00 174.94 172.17 1tza s ILE 53 N 1.83 3.57 -0.06 2.00 1.01 0.05 -2.48 121.20 127.12 1tza s ILE 53 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1tza s ILE 53 Cb -0.17 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.85 1tza s ILE 53 CO -0.08 0.57 -0.03 -0.89 0.00 0.00 0.00 174.94 174.51 1tza s THR 54 N -0.43 0.54 0.69 2.92 2.01 -0.23 -1.11 115.64 120.03 1tza s THR 54 Ca 0.06 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1tza s THR 54 Cb -0.12 -0.61 0.11 0.00 0.01 0.00 0.00 72.50 71.89 1tza s THR 54 CO 0.02 0.25 0.95 1.51 -0.69 0.00 0.00 174.62 176.67 1tza s ASP 55 N 1.37 4.54 0.64 3.53 1.47 -0.82 -0.41 116.67 126.99 1tza s ASP 55 Ca -0.04 -0.32 0.35 0.00 1.18 0.00 0.00 52.55 53.72 1tza s ASP 55 Cb -0.13 -0.15 1.93 0.00 -0.34 0.00 0.00 42.92 44.23 1tza s ASP 55 CO -0.03 -1.72 2.15 0.00 0.68 0.00 0.00 175.17 176.26 1tza h ALA 56 N -0.40 1.39 -0.01 2.11 0.00 -1.71 -1.33 119.26 119.31 1tza h ALA 56 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1tza h ALA 56 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1tza h ALA 56 CO 0.42 -0.19 -0.32 0.09 0.00 0.00 0.00 179.25 179.25 1tza n ASN 57 N -3.30 0.93 0.00 0.00 5.03 -1.26 -4.93 115.26 111.73 1tza n ASN 57 Ca -0.01 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.67 1tza n ASN 57 Cb 0.24 0.18 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 1tza n ASN 57 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tza n GLY 58 N 1.38 0.67 3.69 7.41 0.00 -0.50 -5.03 105.19 112.81 1tza n GLY 58 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1tza n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tza s LYS 59 N -0.68 4.41 0.03 1.61 2.20 -1.26 -4.84 119.74 121.21 1tza s LYS 59 Ca 0.00 1.55 0.08 0.00 -0.36 0.00 0.00 55.97 57.23 1tza s LYS 59 Cb 0.00 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1tza s LYS 59 CO 0.00 -0.33 -0.22 -0.08 -0.36 0.00 0.00 175.35 174.37 1tza s THR 60 N 1.86 2.49 0.07 3.43 -1.32 -1.26 -1.94 115.64 118.99 1tza s THR 60 Ca 0.53 -1.21 0.02 0.00 -1.21 0.00 0.00 61.69 59.82 1tza s THR 60 Cb -0.22 -2.00 -0.03 0.00 -1.51 0.00 0.00 72.50 68.74 1tza s THR 60 CO 0.22 0.40 -0.07 -0.94 -2.21 0.00 0.00 174.62 172.02 1tza s SER 61 N -1.21 1.04 0.06 8.08 1.04 -0.27 -5.00 113.70 117.45 1tza s SER 61 Ca 0.13 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 55.81 1tza s SER 61 Cb -0.10 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1tza s SER 61 CO 0.03 -0.34 -0.15 -1.61 0.98 0.00 0.00 173.24 172.14 1tza s GLU 62 N -2.84 0.93 -0.08 4.02 2.02 -1.26 -0.77 118.70 120.72 1tza s GLU 62 Ca 0.02 -0.87 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 1tza s GLU 62 Cb -0.02 -0.96 0.03 0.00 0.10 0.00 0.00 34.13 33.28 1tza s GLU 62 CO -0.02 0.23 -0.03 0.08 0.02 0.00 0.00 175.26 175.54 1tza s VAL 63 N -1.03 0.59 -0.09 2.63 1.01 -0.82 -4.98 120.40 117.71 1tza s VAL 63 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1tza s VAL 63 Cb -0.09 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1tza s VAL 63 CO 0.02 0.29 -0.19 -1.10 0.00 0.00 0.00 175.10 174.11 1tza s GLN 64 N 1.71 2.53 0.26 2.72 -1.52 -1.26 -0.40 119.66 123.70 1tza s GLN 64 Ca 0.02 -0.70 -0.20 0.00 -1.95 0.00 0.00 55.36 52.53 1tza s GLN 64 Cb -0.13 -1.97 0.06 0.00 -0.22 0.00 0.00 33.01 30.76 1tza s GLN 64 CO -0.05 0.11 0.89 0.20 -0.25 0.00 0.00 175.29 176.19 1tza s GLY 65 N 0.49 0.09 -0.02 3.09 0.00 -0.99 -5.00 107.32 104.98 1tza s GLY 65 Ca -0.17 -0.37 -0.25 0.00 0.00 0.00 0.00 44.72 43.94 1tza s GLY 65 CO 0.06 0.60 0.77 0.00 0.00 0.00 0.00 173.10 174.53 1tza s ALA 66 N -2.73 3.32 0.00 3.20 0.00 -1.26 -1.41 121.76 122.87 1tza s ALA 66 Ca 0.16 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1tza s ALA 66 Cb -0.04 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1tza s ALA 66 CO 0.07 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1tza n GLY 67 N 2.85 0.22 3.03 0.00 0.00 0.87 -4.63 105.19 107.55 1tza n GLY 67 Ca -0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1tza n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tza s VAL 68 N 0.00 0.83 -1.68 1.61 -7.23 0.05 -4.24 120.40 109.73 1tza s VAL 68 Ca 0.00 -0.42 -0.20 0.00 -1.81 0.00 0.00 61.98 59.55 1tza s VAL 68 Cb 0.00 -0.71 0.18 0.00 0.56 0.00 0.00 36.38 36.41 1tza s VAL 68 CO 0.00 0.24 0.66 1.33 -0.31 0.00 0.00 175.10 177.02 1tza n VAL 69 N 3.00 -0.54 -0.94 1.32 0.24 -1.26 -0.90 118.33 119.25 1tza n VAL 69 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1tza n VAL 69 Cb 0.55 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 1tza n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tza n GLY 70 N -1.20 0.90 3.33 7.63 0.00 -1.26 -5.03 105.19 109.56 1tza n GLY 70 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1tza n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tza s GLU 71 N -0.06 1.24 -0.72 1.61 2.12 -0.08 -5.00 118.70 117.81 1tza s GLU 71 Ca 0.00 -1.24 0.04 0.00 0.36 0.00 0.00 54.97 54.13 1tza s GLU 71 Cb 0.00 -1.59 0.24 0.00 0.26 0.00 0.00 34.13 33.04 1tza s GLU 71 CO 0.00 0.37 0.77 0.25 -0.54 0.00 0.00 175.26 176.11 1tza n THR 72 N 0.99 2.55 -1.90 -1.70 -2.24 -1.26 -0.77 114.28 109.95 1tza n THR 72 Ca -0.19 -5.21 -0.37 0.00 -2.27 0.00 0.00 64.05 56.01 1tza n THR 72 Cb 0.53 -2.14 0.04 0.00 -2.10 0.00 0.00 70.33 66.67 1tza n THR 72 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1tza s PRO 73 N -2.22 2.89 -0.22 -0.78 0.04 -1.26 -4.64 135.00 128.81 1tza s PRO 73 Ca 0.35 1.96 -0.06 0.00 0.04 0.00 0.00 61.00 63.29 1tza s PRO 73 Cb 0.08 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1tza s PRO 73 CO -0.04 -1.30 0.04 0.99 0.04 0.00 0.00 177.00 176.72 1tza s THR 74 N -1.48 4.23 -0.42 1.26 2.01 -1.26 -1.35 115.64 118.63 1tza s THR 74 Ca 0.78 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 1tza s THR 74 Cb -0.34 -2.94 0.09 0.00 0.01 0.00 0.00 72.50 69.32 1tza s THR 74 CO 0.37 0.40 0.24 -0.63 -0.69 0.00 0.00 174.62 174.31 1tza s ILE 75 N 1.16 3.88 1.06 1.82 1.01 0.53 -4.97 121.20 125.70 1tza s ILE 75 Ca 0.04 -1.63 -0.11 0.00 0.00 0.00 0.00 60.65 58.94 1tza s ILE 75 Cb -0.14 -3.46 0.23 0.00 0.01 0.00 0.00 42.46 39.09 1tza s ILE 75 CO 0.02 -0.57 1.08 -2.84 0.00 0.00 0.00 174.94 172.64 1tza s PRO 76 N 1.33 -0.16 0.60 2.79 0.02 -1.26 -2.35 135.00 135.97 1tza s PRO 76 Ca 0.04 1.20 -0.19 0.00 0.02 0.00 0.00 61.00 62.07 1tza s PRO 76 Cb -0.23 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 1tza s PRO 76 CO -0.00 -3.32 1.16 -2.30 -0.33 0.00 0.00 177.00 172.21 1tza n PRO 77 N -4.68 1.14 -2.71 5.54 -0.02 -1.26 -2.28 135.00 130.74 1tza n PRO 77 Ca 0.07 0.44 -0.17 0.00 -2.02 0.00 0.00 63.50 61.82 1tza n PRO 77 Cb 0.53 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1tza n PRO 77 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1tza n ASN 78 N -1.16 -4.36 -4.31 2.55 4.13 0.14 -4.96 115.26 107.29 1tza n ASN 78 Ca 0.14 -0.02 -0.25 0.00 1.68 0.00 0.00 54.58 56.13 1tza n ASN 78 Cb 0.47 -3.65 -0.13 0.00 -1.54 0.00 0.00 39.78 34.93 1tza n ASN 78 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1tza s THR 79 N -2.80 1.84 -0.10 3.41 2.01 -0.97 -4.97 115.64 114.07 1tza s THR 79 Ca 0.13 -1.61 0.04 0.00 0.31 0.00 0.00 61.69 60.56 1tza s THR 79 Cb -0.06 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 1tza s THR 79 CO 0.16 -0.04 -0.23 0.00 -0.69 0.00 0.00 174.62 173.81 1tza s ALA 80 N -1.17 2.19 -0.23 7.40 0.00 -1.26 -1.59 121.76 127.09 1tza s ALA 80 Ca 0.08 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1tza s ALA 80 Cb -0.10 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1tza s ALA 80 CO 0.05 0.29 0.02 -0.47 0.00 0.00 0.00 175.76 175.64 1tza s TYR 81 N 0.33 3.03 0.02 0.00 6.14 0.86 -4.92 117.35 122.80 1tza s TYR 81 Ca -0.18 -0.60 0.05 0.00 0.64 0.00 0.00 57.07 56.98 1tza s TYR 81 Cb -0.18 -2.16 -0.03 0.00 0.42 0.00 0.00 41.96 40.01 1tza s TYR 81 CO 0.09 -0.39 -0.13 -1.14 0.64 0.00 0.00 175.55 174.62 1tza s GLN 82 N 1.42 2.31 0.16 4.97 0.74 -1.26 -0.06 119.66 127.94 1tza s GLN 82 Ca 0.05 -0.85 -0.17 0.00 0.05 0.00 0.00 55.36 54.44 1tza s GLN 82 Cb -0.15 -2.34 0.03 0.00 1.10 0.00 0.00 33.01 31.66 1tza s GLN 82 CO 0.01 0.57 0.46 1.52 -0.55 0.00 0.00 175.29 177.30 1tza s TYR 83 N -0.94 -0.18 0.00 1.67 -0.85 -0.40 -5.00 117.35 111.66 1tza s TYR 83 Ca 0.15 -0.14 0.05 0.00 -0.52 0.00 0.00 57.07 56.61 1tza s TYR 83 Cb -0.11 0.33 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 1tza s TYR 83 CO 0.06 -0.80 -0.15 0.99 -1.52 0.00 0.00 175.55 174.13 1tza s THR 84 N -3.83 1.16 0.00 -3.49 2.01 -1.26 -0.67 115.64 109.56 1tza s THR 84 Ca 0.06 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1tza s THR 84 Cb 0.01 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1tza s THR 84 CO -0.08 0.26 0.00 -0.24 -0.69 0.00 0.00 174.62 173.87 1tza n SER 85 N 2.54 0.00 -3.39 3.53 2.88 -0.13 -4.94 113.62 114.11 1tza n SER 85 Ca -0.15 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.36 1tza n SER 85 Cb 0.55 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.03 1tza n SER 85 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1tza s GLY 86 N 0.00 0.10 0.01 0.46 0.00 -1.26 -0.81 107.32 105.82 1tza s GLY 86 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 44.72 44.19 1tza s GLY 86 CO 0.00 2.67 0.48 -1.08 0.00 0.00 0.00 173.10 175.17 1tza s THR 87 N -2.15 0.04 -0.20 0.90 -1.32 -0.56 -4.96 115.64 107.39 1tza s THR 87 Ca 0.22 -0.30 -0.04 0.00 -1.21 0.00 0.00 61.69 60.36 1tza s THR 87 Cb -0.03 -0.89 -0.02 0.00 -1.51 0.00 0.00 72.50 70.06 1tza s THR 87 CO 0.05 -0.17 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.58 1tza s VAL 88 N -1.91 3.66 0.28 5.08 1.01 -1.26 -1.04 120.40 126.22 1tza s VAL 88 Ca -0.09 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1tza s VAL 88 Cb -0.02 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1tza s VAL 88 CO 0.02 0.43 0.27 -0.76 0.00 0.00 0.00 175.10 175.07 1tza s LEU 89 N 1.11 3.86 0.04 3.92 1.43 0.86 -4.87 118.68 125.04 1tza s LEU 89 Ca 0.02 -0.25 0.24 0.00 -1.03 0.00 0.00 54.13 53.11 1tza s LEU 89 Cb -0.15 -2.44 0.30 0.00 0.03 0.00 0.00 46.19 43.94 1tza s LEU 89 CO 0.00 -0.15 1.25 0.47 0.23 0.00 0.00 176.35 178.15 1tza n ASP 90 N -1.30 0.61 -4.36 2.29 10.43 -1.26 0.26 116.55 123.21 1tza n ASP 90 Ca -0.06 -0.19 -0.20 0.00 2.57 0.00 0.00 54.79 56.91 1tza n ASP 90 Cb 0.58 0.42 -0.10 0.00 1.84 0.00 0.00 41.12 43.86 1tza n ASP 90 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1tza s THR 91 N -3.09 1.87 -2.00 -3.53 -4.23 -1.26 -4.64 115.64 98.75 1tza s THR 91 Ca 0.08 -2.17 0.11 0.00 -1.18 0.00 0.00 61.69 58.53 1tza s THR 91 Cb 0.16 -2.03 0.33 0.00 1.34 0.00 0.00 72.50 72.29 1tza s THR 91 CO 0.74 -0.50 1.13 -0.81 -0.54 0.00 0.00 174.62 174.65 1tza n PRO 92 N -0.25 0.53 -3.48 3.99 -0.04 -1.26 -4.66 135.00 129.83 1tza n PRO 92 Ca -0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 1tza n PRO 92 Cb 0.59 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 1tza n PRO 92 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1tza s PHE 93 N -2.00 -0.51 0.06 0.54 -0.12 -1.26 -2.16 117.98 112.53 1tza s PHE 93 Ca 0.17 0.55 -0.11 0.00 -0.05 0.00 0.00 56.93 57.49 1tza s PHE 93 Cb 0.08 0.50 0.04 0.00 -0.63 0.00 0.00 43.02 43.01 1tza s PHE 93 CO 0.13 -0.67 0.50 0.41 -0.05 0.00 0.00 175.22 175.54 1tza n GLY 94 N 0.11 0.84 3.28 1.99 0.00 0.92 -1.84 105.19 110.48 1tza n GLY 94 Ca -0.15 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 1tza n GLY 94 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tza n ILE 95 N -0.35 0.00 0.00 -0.61 2.08 0.46 -1.37 119.36 119.57 1tza n ILE 95 Ca -0.00 -2.24 0.00 0.00 0.56 0.00 0.00 62.75 61.07 1tza n ILE 95 Cb 0.27 0.62 0.00 0.00 -0.75 0.00 0.00 39.64 39.77 1tza n ILE 95 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1tza n TYR 97 N -1.03 0.00 -3.04 1.39 0.18 -1.03 -1.07 117.16 112.56 1tza n TYR 97 Ca -0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.65 1tza n TYR 97 Cb 0.59 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.55 1tza n TYR 97 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1tza n GLY 98 N -1.16 -0.53 3.24 -7.48 0.00 -0.99 -1.34 105.19 96.93 1tza n GLY 98 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1tza n GLY 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tza s THR 99 N -3.16 0.08 -0.03 2.61 -4.23 -0.15 -2.44 115.64 108.32 1tza s THR 99 Ca 0.00 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1tza s THR 99 Cb 0.00 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.97 1tza s THR 99 CO 0.00 -0.35 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.34 1tza s TYR 100 N -2.19 2.89 0.23 3.99 2.02 -0.38 -0.16 117.35 123.74 1tza s TYR 100 Ca -0.08 -0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 56.54 1tza s TYR 100 Cb -0.02 -1.65 -0.06 0.00 -0.40 0.00 0.00 41.96 39.83 1tza s TYR 100 CO -0.01 0.34 0.49 0.20 -1.57 0.00 0.00 175.55 175.00 1tza s GLY 101 N -1.10 2.06 -0.30 0.71 0.00 0.37 -0.85 107.32 108.21 1tza s GLY 101 Ca 0.15 -0.51 -0.20 0.00 0.00 0.00 0.00 44.72 44.16 1tza s GLY 101 CO 0.04 -0.41 1.31 0.14 0.00 0.00 0.00 173.10 174.19 1tza s VAL 103 N -1.88 -0.02 0.77 1.40 1.01 -0.40 -0.26 120.40 121.01 1tza s VAL 103 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 1tza s VAL 103 Cb -0.11 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.32 1tza s VAL 103 CO 0.26 0.00 1.08 -0.55 0.00 0.00 0.00 175.10 175.89 1tza s SER 104 N 2.07 4.70 0.47 3.32 0.15 0.16 -0.44 113.70 124.12 1tza s SER 104 Ca 0.00 1.55 0.16 0.00 0.70 0.00 0.00 55.95 58.36 1tza s SER 104 Cb -0.01 -2.33 1.12 0.00 -1.71 0.00 0.00 66.02 63.10 1tza s SER 104 CO -0.16 -1.87 2.02 -0.08 1.20 0.00 0.00 173.24 174.36 1tza h GLU 105 N -1.01 0.26 -0.77 5.44 4.57 -1.50 0.91 114.58 122.47 1tza h GLU 105 Ca -0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1tza h GLU 105 Cb 1.24 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1tza h GLU 105 CO 0.56 0.17 0.00 -1.13 -1.18 0.00 0.00 179.01 177.44 1tza n SER 106 N -4.47 1.25 -1.38 1.04 3.41 -1.26 -4.84 113.62 107.38 1tza n SER 106 Ca 0.07 -2.07 -0.13 0.00 -0.26 0.00 0.00 58.87 56.47 1tza n SER 106 Cb 0.33 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1tza n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tza n GLY 107 N 0.18 0.27 3.57 5.00 0.00 0.31 -5.00 105.19 109.52 1tza n GLY 107 Ca 0.03 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1tza n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tza s GLU 108 N -4.23 3.89 0.09 1.61 2.12 -1.23 -4.85 118.70 116.10 1tza s GLU 108 Ca 0.00 -0.36 -0.21 0.00 0.36 0.00 0.00 54.97 54.76 1tza s GLU 108 Cb 0.00 -3.47 -0.07 0.00 0.26 0.00 0.00 34.13 30.85 1tza s GLU 108 CO 0.00 -0.07 0.64 -1.01 -0.54 0.00 0.00 175.26 174.28 1tza s HIS 109 N 1.39 3.82 0.20 5.30 3.76 -1.26 0.37 115.29 128.86 1tza s HIS 109 Ca 0.06 1.37 -0.16 0.00 -0.15 0.00 0.00 55.06 56.18 1tza s HIS 109 Cb -0.15 -2.60 0.02 0.00 1.11 0.00 0.00 32.58 30.96 1tza s HIS 109 CO 0.06 0.52 0.50 -0.59 -0.85 0.00 0.00 174.74 174.38 1tza s PHE 110 N -0.94 -0.02 -0.13 1.40 -0.71 -1.26 -4.97 117.98 111.36 1tza s PHE 110 Ca 0.32 -0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 55.83 1tza s PHE 110 Cb -0.20 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 1tza s PHE 110 CO 0.21 -0.91 0.05 -0.80 -1.34 0.00 0.00 175.22 172.43 1tza s ASN 111 N -2.90 5.62 -0.19 1.98 0.02 -1.26 -4.49 114.94 113.73 1tza s ASN 111 Ca 0.11 0.20 -0.10 0.00 -1.02 0.00 0.00 52.86 52.05 1tza s ASN 111 Cb -0.01 -1.78 -0.05 0.00 0.02 0.00 0.00 41.25 39.44 1tza s ASN 111 CO -0.01 0.32 0.14 0.00 0.02 0.00 0.00 177.10 177.56 1tza s ALA 112 N -0.50 3.71 -0.10 0.60 0.00 -0.03 -4.86 121.76 120.59 1tza s ALA 112 Ca 0.10 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.20 1tza s ALA 112 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1tza s ALA 112 CO 0.02 0.21 0.50 0.96 0.00 0.00 0.00 175.76 177.45 1tza s ILE 113 N 0.21 5.14 -0.40 0.00 -4.36 -1.26 -1.25 121.20 119.28 1tza s ILE 113 Ca 0.09 1.01 0.01 0.00 -0.26 0.00 0.00 60.65 61.50 1tza s ILE 113 Cb -0.11 -3.84 0.11 0.00 1.25 0.00 0.00 42.46 39.87 1tza s ILE 113 CO -0.01 0.35 0.16 -0.51 0.24 0.00 0.00 174.94 175.16 1tza s ILE 114 N 0.45 2.83 0.80 8.37 -1.16 -1.02 -4.43 121.20 127.03 1tza s ILE 114 Ca 0.27 -2.33 -0.15 0.00 -0.51 0.00 0.00 60.65 57.93 1tza s ILE 114 Cb -0.16 -2.99 -0.01 0.00 0.61 0.00 0.00 42.46 39.91 1tza s ILE 114 CO 0.12 -0.67 0.51 0.29 -2.81 0.00 0.00 174.94 172.38 1tza n LYS 115 N 4.27 0.12 -1.69 3.50 4.01 -1.26 -2.35 118.16 124.75 1tza n LYS 115 Ca 0.02 0.09 -0.42 0.00 -0.51 0.00 0.00 58.31 57.48 1tza n LYS 115 Cb 0.41 -1.86 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 1tza n LYS 115 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1tza n PRO 116 N -1.11 2.00 -3.91 1.97 -0.02 -1.26 -4.67 135.00 128.01 1tza n PRO 116 Ca 0.09 0.70 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1tza n PRO 116 Cb 0.51 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 1tza n PRO 116 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1tza s PHE 117 N -1.14 0.13 0.20 6.00 -0.12 -1.26 -4.98 117.98 116.81 1tza s PHE 117 Ca 0.58 -0.33 -0.24 0.00 -0.05 0.00 0.00 56.93 56.89 1tza s PHE 117 Cb -0.55 -0.10 -0.08 0.00 -0.63 0.00 0.00 43.02 41.66 1tza s PHE 117 CO 0.60 -0.31 0.79 0.50 -0.05 0.00 0.00 175.22 176.76 1tza s ARG 118 N -1.88 4.51 -0.19 1.99 3.52 -1.26 -4.49 118.95 121.15 1tza s ARG 118 Ca -0.11 1.13 0.01 0.00 -0.13 0.00 0.00 55.73 56.63 1tza s ARG 118 Cb -0.05 -3.11 0.03 0.00 -1.56 0.00 0.00 34.95 30.25 1tza s ARG 118 CO -0.01 0.49 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.27 1tza s LEU 119 N -1.47 2.35 -0.19 -0.88 1.43 -0.47 -4.86 118.68 114.59 1tza s LEU 119 Ca 0.40 -0.77 -0.28 0.00 -1.03 0.00 0.00 54.13 52.44 1tza s LEU 119 Cb -0.21 -1.49 0.11 0.00 0.03 0.00 0.00 46.19 44.62 1tza s LEU 119 CO 0.25 -0.03 0.90 0.00 0.23 0.00 0.00 176.35 177.70 1tza s ALA 120 N 1.26 -1.89 0.59 4.21 0.00 -1.26 -0.06 121.76 124.61 1tza s ALA 120 Ca 0.03 1.68 -0.18 0.00 0.00 0.00 0.00 51.96 53.48 1tza s ALA 120 Cb -0.14 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1tza s ALA 120 CO -0.12 -0.30 1.17 0.95 0.00 0.00 0.00 175.76 177.46 1tza s THR 121 N -0.52 2.89 0.64 0.00 -4.23 -0.92 -4.57 115.64 108.93 1tza s THR 121 Ca -0.02 0.53 0.36 0.00 -1.18 0.00 0.00 61.69 61.38 1tza s THR 121 Cb -0.02 -3.17 0.39 0.00 1.34 0.00 0.00 72.50 71.03 1tza s THR 121 CO 0.01 -0.14 2.21 1.55 -0.54 0.00 0.00 174.62 177.70 1tza h PRO 122 N 0.82 0.00 0.00 3.99 0.13 -1.95 -1.41 132.00 133.58 1tza h PRO 122 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1tza h PRO 122 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1tza h PRO 122 CO 0.55 0.00 -0.37 0.78 -0.23 0.00 0.00 178.00 178.74 1tza h GLY 123 N 0.00 0.00 -0.88 1.56 0.00 -1.99 -3.32 103.07 98.45 1tza h GLY 123 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1tza h GLY 123 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1tza n LEU 124 N -2.21 2.72 -4.67 3.11 4.77 -0.55 -4.98 117.00 115.20 1tza n LEU 124 Ca 0.04 -2.14 -0.43 0.00 -0.03 0.00 0.00 56.01 53.45 1tza n LEU 124 Cb 0.44 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1tza n LEU 124 CO 0.34 0.66 1.13 -0.22 -1.33 0.00 0.00 177.39 177.96 1tza s LEU 125 N -1.25 4.24 0.13 2.23 0.20 -1.09 -4.88 118.68 118.25 1tza s LEU 125 Ca 0.19 1.86 -0.31 0.00 0.69 0.00 0.00 54.13 56.56 1tza s LEU 125 Cb 0.11 -3.54 -0.08 0.00 -0.43 0.00 0.00 46.19 42.25 1tza s LEU 125 CO 0.10 -0.77 1.38 -2.28 -0.29 0.00 0.00 176.35 174.49 1tza s HIS 126 N 3.32 3.25 -0.10 5.38 5.65 -1.26 -5.03 115.29 126.50 1tza s HIS 126 Ca 0.59 0.99 0.02 0.00 0.25 0.00 0.00 55.06 56.91 1tza s HIS 126 Cb -0.25 -3.67 0.02 0.00 -1.18 0.00 0.00 32.58 27.49 1tza s HIS 126 CO 0.20 -2.31 -0.13 -0.51 -0.65 0.00 0.00 174.74 171.34 1tza s LEU 127 N 0.93 1.62 0.23 8.88 1.02 -1.26 -5.12 118.68 124.97 1tza s LEU 127 Ca 0.63 -0.37 -0.21 0.00 0.02 0.00 0.00 54.13 54.20 1tza s LEU 127 Cb -0.37 -0.98 -0.08 0.00 0.02 0.00 0.00 46.19 44.78 1tza s LEU 127 CO 0.31 0.00 0.76 -0.70 0.02 0.00 0.00 176.35 176.75 1tza s GLU 128 N 1.00 4.35 -0.12 1.70 2.12 -1.26 -5.05 118.70 121.44 1tza s GLU 128 Ca -0.07 0.98 -0.01 0.00 0.36 0.00 0.00 54.97 56.23 1tza s GLU 128 Cb -0.15 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 1tza s GLU 128 CO -0.01 0.41 -0.10 -1.01 -0.54 0.00 0.00 175.26 174.00 1tza s HIS 129 N -1.48 2.87 0.38 5.30 3.76 -1.26 -5.11 115.29 119.75 1tza s HIS 129 Ca 0.43 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.94 1tza s HIS 129 Cb -0.18 -1.84 -0.07 0.00 1.11 0.00 0.00 32.58 31.60 1tza s HIS 129 CO 0.22 -0.08 0.03 -1.01 -0.85 0.00 0.00 174.74 173.05 1tza s HIS 130 N 0.16 2.23 0.20 1.40 3.76 -1.26 -5.17 115.29 116.62 1tza s HIS 130 Ca -0.05 -0.82 -0.22 0.00 -0.15 0.00 0.00 55.06 53.81 1tza s HIS 130 Cb -0.15 -1.54 0.05 0.00 1.11 0.00 0.00 32.58 32.05 1tza s HIS 130 CO 0.04 0.23 0.66 -3.38 -0.85 0.00 0.00 174.74 171.44 1tza s HIS 131 N -2.98 -0.39 0.14 1.40 -3.43 -1.26 -5.14 115.29 103.62 1tza s HIS 131 Ca 0.34 0.09 -0.30 0.00 -0.80 0.00 0.00 55.06 54.38 1tza s HIS 131 Cb 0.09 0.62 -0.08 0.00 -1.43 0.00 0.00 32.58 31.78 1tza s HIS 131 CO 0.16 -1.00 1.26 -1.58 -2.00 0.00 0.00 174.74 171.59 1tza s HIS 132 N -3.80 3.35 -0.24 0.38 2.46 -1.26 -5.01 115.29 111.17 1tza s HIS 132 Ca 0.05 1.25 -0.14 0.00 0.47 0.00 0.00 55.06 56.69 1tza s HIS 132 Cb -0.03 -3.52 -0.04 0.00 -0.13 0.00 0.00 32.58 28.86 1tza s HIS 132 CO -0.05 -1.62 0.33 -1.01 -2.47 0.00 0.00 174.74 169.92 1tza s HIS 133 N 0.48 3.30 -1.36 3.88 3.76 -1.26 -5.37 115.29 118.72 1tza s HIS 133 Ca 0.57 0.43 0.11 0.00 -0.15 0.00 0.00 55.06 56.02 1tza s HIS 133 Cb -0.34 -2.49 0.09 0.00 1.11 0.00 0.00 32.58 30.95 1tza s HIS 133 CO 0.34 -0.10 0.85 -2.39 -0.85 0.00 0.00 174.74 172.58