#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 1.01 0.18 0.00 4.77 -1.26 -4.23 117.00 117.47 1tza n LEU 4 Ca 0.00 -0.48 0.17 0.00 -0.03 0.00 0.00 56.01 55.67 1tza n LEU 4 Cb 0.00 -0.11 0.80 0.00 -2.33 0.00 0.00 43.42 41.78 1tza n LEU 4 CO 0.00 0.24 1.15 0.44 -1.33 0.00 0.00 177.39 177.89 1tza h ASP 5 N 1.17 0.00 0.35 -1.43 5.19 -1.98 -1.05 116.42 118.68 1tza h ASP 5 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1tza h ASP 5 Cb 0.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1tza h ASP 5 CO 0.00 0.00 -1.14 0.59 -3.12 0.00 0.00 179.24 175.57 1tza n ASN 6 N -3.88 0.59 0.33 6.45 3.02 -1.26 -4.35 115.26 116.16 1tza n ASN 6 Ca 0.03 -0.25 0.21 0.00 -0.03 0.00 0.00 54.58 54.53 1tza n ASN 6 Cb 0.37 0.95 1.14 0.00 -0.61 0.00 0.00 39.78 41.63 1tza n ASN 6 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1tza h SER 7 N 0.00 0.00 -3.55 6.41 4.64 -1.47 -3.42 113.55 116.16 1tza h SER 7 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1tza h SER 7 Cb 0.74 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.51 1tza h SER 7 CO 0.00 0.00 -0.87 -0.63 -0.87 0.00 0.00 176.83 174.46 1tza s ILE 8 N -4.25 1.84 -0.07 0.95 1.01 -1.26 0.02 121.20 119.44 1tza s ILE 8 Ca -0.05 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1tza s ILE 8 Cb 0.13 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1tza s ILE 8 CO 0.43 0.51 -0.19 -0.60 0.00 0.00 0.00 174.94 175.10 1tza s ARG 9 N 0.26 2.72 -0.17 2.79 3.52 -0.45 -4.81 118.95 122.80 1tza s ARG 9 Ca -0.13 -0.79 -0.02 0.00 -0.13 0.00 0.00 55.73 54.66 1tza s ARG 9 Cb -0.16 -2.33 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1tza s ARG 9 CO 0.06 0.42 -0.10 0.08 -0.81 0.00 0.00 175.30 174.96 1tza s VAL 10 N -0.23 3.14 0.03 7.11 1.01 -1.26 -1.05 120.40 129.16 1tza s VAL 10 Ca -0.00 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1tza s VAL 10 Cb -0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1tza s VAL 10 CO 0.03 0.48 -0.24 -1.61 0.00 0.00 0.00 175.10 173.77 1tza s GLU 11 N 0.89 1.93 -0.06 2.72 2.02 -0.18 -4.84 118.70 121.17 1tza s GLU 11 Ca -0.02 -1.05 -0.08 0.00 0.02 0.00 0.00 54.97 53.84 1tza s GLU 11 Cb -0.15 -2.06 0.02 0.00 0.10 0.00 0.00 34.13 32.04 1tza s GLU 11 CO 0.00 0.53 0.21 0.54 0.02 0.00 0.00 175.26 176.56 1tza s VAL 12 N -0.82 0.02 0.09 2.63 0.11 -1.26 -0.64 120.40 120.52 1tza s VAL 12 Ca 0.12 -0.13 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1tza s VAL 12 Cb -0.10 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1tza s VAL 12 CO 0.03 -0.07 -0.16 -1.59 -3.33 0.00 0.00 175.10 169.97 1tza s LYS 13 N -0.20 0.94 0.28 1.54 -2.85 -1.02 -5.01 119.74 113.42 1tza s LYS 13 Ca -0.03 -1.06 0.03 0.00 -1.00 0.00 0.00 55.97 53.90 1tza s LYS 13 Cb -0.03 -1.01 -0.06 0.00 -2.06 0.00 0.00 37.83 34.68 1tza s LYS 13 CO 0.01 0.22 0.06 0.95 0.10 0.00 0.00 175.35 176.69 1tza s THR 14 N -1.38 0.91 -0.22 3.79 -4.23 -1.26 -1.19 115.64 112.06 1tza s THR 14 Ca 0.02 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.36 1tza s THR 14 Cb -0.09 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1tza s THR 14 CO 0.03 -0.06 0.56 -0.70 -0.54 0.00 0.00 174.62 173.91 1tza s GLU 15 N -3.94 0.61 -0.27 3.99 2.12 -0.41 -5.00 118.70 115.81 1tza s GLU 15 Ca 0.36 0.87 -0.26 0.00 0.36 0.00 0.00 54.97 56.29 1tza s GLU 15 Cb 0.08 0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.69 1tza s GLU 15 CO 0.14 -0.11 0.93 -0.47 -0.54 0.00 0.00 175.26 175.21 1tza s TYR 16 N 0.77 3.26 -0.06 5.30 5.04 -1.26 -0.87 117.35 129.52 1tza s TYR 16 Ca -0.04 1.16 -0.03 0.00 -2.44 0.00 0.00 57.07 55.72 1tza s TYR 16 Cb -0.05 -3.29 -0.01 0.00 0.35 0.00 0.00 41.96 38.96 1tza s TYR 16 CO -0.06 -0.54 -0.06 0.82 -1.34 0.00 0.00 175.55 174.37 1tza h ILE 17 N 5.54 0.00 -2.47 3.14 1.08 -0.94 -3.48 117.51 120.38 1tza h ILE 17 Ca -0.22 -0.48 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 1tza h ILE 17 Cb 1.08 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.67 1tza h ILE 17 CO 0.94 0.00 0.21 -0.70 -0.69 0.00 0.00 178.15 177.91 1tza s GLU 18 N -1.50 1.15 0.14 2.37 2.12 -1.10 -5.01 118.70 116.87 1tza s GLU 18 Ca -0.05 -0.09 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 1tza s GLU 18 Cb 0.01 0.54 -0.07 0.00 0.26 0.00 0.00 34.13 34.87 1tza s GLU 18 CO 0.07 -0.44 0.95 -1.14 -0.54 0.00 0.00 175.26 174.16 1tza s GLN 19 N -2.42 4.73 -0.14 4.30 0.74 -1.26 -0.74 119.66 124.86 1tza s GLN 19 Ca -0.05 1.44 0.16 0.00 0.05 0.00 0.00 55.36 56.96 1tza s GLN 19 Cb -0.00 -3.35 0.31 0.00 1.10 0.00 0.00 33.01 31.06 1tza s GLN 19 CO -0.01 0.30 1.16 1.04 -0.55 0.00 0.00 175.29 177.23 1tza n GLN 20 N 2.43 1.26 -2.07 1.67 1.13 0.24 -4.91 117.38 117.13 1tza n GLN 20 Ca 0.01 -2.66 -0.40 0.00 -1.94 0.00 0.00 57.00 52.01 1tza n GLN 20 Cb 0.49 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 29.38 1tza n GLN 20 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1tza s SER 21 N -2.85 6.41 0.32 1.08 0.01 -1.18 -4.56 113.70 112.93 1tza s SER 21 Ca 0.32 2.65 0.07 0.00 1.31 0.00 0.00 55.95 60.30 1tza s SER 21 Cb 0.29 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1tza s SER 21 CO 0.00 -0.78 0.33 -0.94 0.41 0.00 0.00 173.24 172.25 1tza s SER 22 N -0.70 5.53 0.40 2.44 1.04 -0.59 -4.93 113.70 116.89 1tza s SER 22 Ca 0.55 -0.36 0.35 0.00 0.48 0.00 0.00 55.95 56.97 1tza s SER 22 Cb -0.38 -1.13 1.29 0.00 0.10 0.00 0.00 66.02 65.90 1tza s SER 22 CO 0.49 -0.32 1.21 -2.65 0.98 0.00 0.00 173.24 172.95 1tza n PRO 23 N -1.42 -0.01 -0.21 4.02 -0.02 -1.26 -1.86 135.00 134.25 1tza n PRO 23 Ca -0.02 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1tza n PRO 23 Cb 0.59 -1.93 0.01 0.00 -0.02 0.00 0.00 33.50 32.14 1tza n PRO 23 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1tza n GLU 24 N -3.71 0.20 -3.72 -0.52 1.02 -1.26 -5.00 120.64 107.65 1tza n GLU 24 Ca 0.34 -0.83 -0.30 0.00 -0.02 0.00 0.00 57.16 56.35 1tza n GLU 24 Cb 1.47 -0.56 -0.15 0.00 -0.02 0.00 0.00 31.44 32.17 1tza n GLU 24 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tza s ASP 25 N -0.57 3.89 0.19 1.62 1.01 -0.78 -5.11 116.67 116.93 1tza s ASP 25 Ca 0.01 -1.53 -0.30 0.00 0.71 0.00 0.00 52.55 51.44 1tza s ASP 25 Cb 0.01 -0.79 -0.09 0.00 1.01 0.00 0.00 42.92 43.06 1tza s ASP 25 CO 0.00 -0.41 1.32 -1.61 0.21 0.00 0.00 175.17 174.69 1tza s GLU 26 N 1.69 4.38 -0.05 8.23 2.02 -1.26 -1.53 118.70 132.16 1tza s GLU 26 Ca 0.09 2.07 -0.03 0.00 0.02 0.00 0.00 54.97 57.11 1tza s GLU 26 Cb -0.17 -3.19 0.03 0.00 0.10 0.00 0.00 34.13 30.89 1tza s GLU 26 CO -0.25 -0.28 0.13 0.15 0.02 0.00 0.00 175.26 175.03 1tza s LYS 27 N -0.04 0.11 -0.12 1.61 1.02 -1.26 -4.31 119.74 116.75 1tza s LYS 27 Ca 0.57 0.27 -0.01 0.00 0.02 0.00 0.00 55.97 56.83 1tza s LYS 27 Cb -0.37 -0.08 0.03 0.00 -0.52 0.00 0.00 37.83 36.90 1tza s LYS 27 CO 0.38 -0.10 -0.05 0.71 -0.92 0.00 0.00 175.35 175.37 1tza s TYR 28 N 0.69 1.31 -0.21 3.18 1.51 0.90 -0.59 117.35 124.15 1tza s TYR 28 Ca -0.05 -0.68 -0.22 0.00 -1.01 0.00 0.00 57.07 55.11 1tza s TYR 28 Cb -0.07 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1tza s TYR 28 CO -0.03 -0.49 0.71 -1.17 -1.11 0.00 0.00 175.55 173.45 1tza s LEU 29 N 1.76 4.12 0.17 -1.29 2.96 0.08 -0.62 118.68 125.87 1tza s LEU 29 Ca 0.04 0.91 0.11 0.00 -0.22 0.00 0.00 54.13 54.97 1tza s LEU 29 Cb -0.13 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1tza s LEU 29 CO -0.07 -0.36 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.00 1tza s PHE 30 N 2.26 2.36 0.13 5.38 0.08 0.29 -0.23 117.98 128.25 1tza s PHE 30 Ca 0.31 -0.34 0.11 0.00 0.12 0.00 0.00 56.93 57.13 1tza s PHE 30 Cb -0.16 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 1tza s PHE 30 CO 0.10 0.45 -0.27 -1.54 -0.10 0.00 0.00 175.22 173.86 1tza s SER 31 N -2.47 3.33 -0.01 1.36 1.04 -0.05 -1.05 113.70 115.84 1tza s SER 31 Ca 0.19 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1tza s SER 31 Cb -0.09 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.81 1tza s SER 31 CO 0.09 0.18 -0.03 -0.72 0.98 0.00 0.00 173.24 173.75 1tza s TYR 32 N -1.08 0.33 -0.29 5.02 -0.85 -0.46 -1.28 117.35 118.73 1tza s TYR 32 Ca 0.14 -0.05 -0.01 0.00 -0.52 0.00 0.00 57.07 56.63 1tza s TYR 32 Cb -0.10 -0.27 0.05 0.00 0.38 0.00 0.00 41.96 42.02 1tza s TYR 32 CO 0.06 -0.04 -0.02 0.99 -1.52 0.00 0.00 175.55 175.02 1tza s THR 33 N 0.23 2.91 -0.08 -3.49 2.01 -0.34 -1.45 115.64 115.44 1tza s THR 33 Ca -0.02 -1.33 -0.10 0.00 0.31 0.00 0.00 61.69 60.55 1tza s THR 33 Cb -0.05 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 1tza s THR 33 CO -0.01 -0.04 0.24 -0.63 -0.69 0.00 0.00 174.62 173.50 1tza s ILE 34 N 1.26 5.32 -0.16 1.82 -1.09 -0.26 -2.45 121.20 125.65 1tza s ILE 34 Ca -0.04 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 1tza s ILE 34 Cb -0.19 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 1tza s ILE 34 CO -0.02 0.59 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.20 1tza s THR 35 N -0.93 1.91 -0.35 2.92 2.01 0.18 -1.80 115.64 119.58 1tza s THR 35 Ca 0.18 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1tza s THR 35 Cb -0.14 -1.73 0.08 0.00 0.01 0.00 0.00 72.50 70.72 1tza s THR 35 CO 0.07 0.52 0.10 -0.63 -0.69 0.00 0.00 174.62 173.99 1tza s ILE 36 N 1.17 3.16 -0.19 1.82 1.01 0.14 -1.01 121.20 127.31 1tza s ILE 36 Ca 0.01 -1.71 -0.15 0.00 0.00 0.00 0.00 60.65 58.80 1tza s ILE 36 Cb -0.14 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1tza s ILE 36 CO -0.09 -0.40 0.34 -0.63 0.00 0.00 0.00 174.94 174.16 1tza s ILE 37 N 1.20 5.25 -0.53 2.92 1.01 -0.21 -1.51 121.20 129.32 1tza s ILE 37 Ca 0.02 0.60 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 1tza s ILE 37 Cb -0.21 -3.68 0.13 0.00 0.01 0.00 0.00 42.46 38.71 1tza s ILE 37 CO -0.02 0.30 0.49 0.21 0.00 0.00 0.00 174.94 175.92 1tza s ASN 38 N 0.88 6.16 0.00 3.58 2.47 -0.48 -1.34 114.94 126.20 1tza s ASN 38 Ca 0.17 -1.79 0.26 0.00 0.42 0.00 0.00 52.86 51.92 1tza s ASN 38 Cb -0.14 -2.20 1.05 0.00 -1.45 0.00 0.00 41.25 38.51 1tza s ASN 38 CO 0.06 -0.84 1.73 0.18 -3.72 0.00 0.00 177.10 174.52 1tza n LEU 39 N 5.23 1.36 -4.65 3.21 4.77 0.10 -0.25 117.00 126.76 1tza n LEU 39 Ca -0.14 -0.49 -0.29 0.00 -0.03 0.00 0.00 56.01 55.06 1tza n LEU 39 Cb 0.40 -0.03 0.20 0.00 -2.33 0.00 0.00 43.42 41.66 1tza n LEU 39 CO 0.53 0.25 0.64 -0.83 -1.33 0.00 0.00 177.39 176.65 1tza s GLY 40 N -1.87 1.57 -0.05 -0.72 0.00 -1.12 -4.74 107.32 100.40 1tza s GLY 40 Ca 0.37 -0.63 0.21 0.00 0.00 0.00 0.00 44.72 44.67 1tza s GLY 40 CO 0.31 0.10 1.57 -1.84 0.00 0.00 0.00 173.10 173.24 1tza n GLU 41 N -4.39 3.13 -3.89 2.90 0.00 -1.26 -4.07 120.64 113.06 1tza n GLU 41 Ca 0.08 -2.71 -0.11 0.00 0.00 0.00 0.00 57.16 54.42 1tza n GLU 41 Cb 0.58 -1.71 -0.10 0.00 0.00 0.00 0.00 31.44 30.22 1tza n GLU 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1tza s GLN 42 N -1.38 0.46 0.58 3.44 0.74 -1.26 -4.89 119.66 117.35 1tza s GLN 42 Ca 0.50 -0.42 -0.20 0.00 0.05 0.00 0.00 55.36 55.28 1tza s GLN 42 Cb 0.28 0.19 -0.04 0.00 1.10 0.00 0.00 33.01 34.55 1tza s GLN 42 CO 0.29 -0.11 1.28 0.00 -0.55 0.00 0.00 175.29 176.21 1tza s ALA 43 N -1.38 2.63 -0.04 1.58 0.00 -1.26 -4.30 121.76 118.97 1tza s ALA 43 Ca -0.15 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1tza s ALA 43 Cb -0.08 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1tza s ALA 43 CO 0.01 -1.32 -0.06 0.00 0.00 0.00 0.00 175.76 174.40 1tza s ALA 44 N -1.43 0.76 -0.19 0.00 0.00 -0.04 -2.21 121.76 118.65 1tza s ALA 44 Ca 0.76 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 1tza s ALA 44 Cb -0.36 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1tza s ALA 44 CO 0.40 0.04 0.00 0.21 0.00 0.00 0.00 175.76 176.41 1tza s LYS 45 N 0.71 3.68 -0.50 0.00 2.20 0.65 0.45 119.74 126.93 1tza s LYS 45 Ca -0.10 -0.50 -0.27 0.00 -0.36 0.00 0.00 55.97 54.74 1tza s LYS 45 Cb -0.13 -3.06 0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1tza s LYS 45 CO 0.01 0.10 1.04 -1.17 -0.36 0.00 0.00 175.35 174.96 1tza s LEU 46 N 0.78 3.81 -0.21 5.43 0.20 -0.39 -1.13 118.68 127.17 1tza s LEU 46 Ca 0.00 0.14 -0.06 0.00 0.69 0.00 0.00 54.13 54.91 1tza s LEU 46 Cb -0.14 -3.23 -0.20 0.00 -0.43 0.00 0.00 46.19 42.19 1tza s LEU 46 CO 0.02 -1.22 -0.01 -0.62 -0.29 0.00 0.00 176.35 174.24 1tza n GLU 47 N 7.64 0.67 -4.27 1.98 1.02 0.13 -3.83 120.64 123.99 1tza n GLU 47 Ca 0.08 0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 1tza n GLU 47 Cb 0.49 -1.60 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.51 0.65 0.05 2.62 -4.23 -1.00 0.17 115.64 111.38 1tza s THR 48 Ca -0.31 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.23 1tza s THR 48 Cb 0.09 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 1tza s THR 48 CO 0.64 -0.31 -0.06 0.00 -0.54 0.00 0.00 174.62 174.35 1tza s ARG 49 N -3.95 0.56 -0.22 3.99 1.70 -0.74 0.44 118.95 120.72 1tza s ARG 49 Ca 0.29 -0.89 -0.03 0.00 -0.47 0.00 0.00 55.73 54.63 1tza s ARG 49 Cb 0.07 -0.16 0.11 0.00 -0.57 0.00 0.00 34.95 34.40 1tza s ARG 49 CO 0.07 0.00 0.27 -1.58 -1.08 0.00 0.00 175.30 172.99 1tza s HIS 50 N -2.07 -0.45 0.16 5.89 2.46 0.03 -2.44 115.29 118.88 1tza s HIS 50 Ca -0.05 0.34 0.04 0.00 0.47 0.00 0.00 55.06 55.86 1tza s HIS 50 Cb -0.05 -0.27 -0.04 0.00 -0.13 0.00 0.00 32.58 32.09 1tza s HIS 50 CO -0.02 -0.67 0.16 -1.58 -2.47 0.00 0.00 174.74 170.16 1tza s TRP 51 N 2.39 3.22 -0.16 3.88 0.52 0.15 -1.53 118.94 127.40 1tza s TRP 51 Ca 0.09 0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.20 1tza s TRP 51 Cb -0.15 -1.55 0.05 0.00 -1.15 0.00 0.00 33.47 30.67 1tza s TRP 51 CO -0.16 0.52 0.01 0.42 0.02 0.00 0.00 176.95 177.76 1tza s ILE 52 N -1.74 0.62 -0.15 2.03 1.09 -0.01 -2.04 121.20 121.00 1tza s ILE 52 Ca 0.32 -0.39 -0.01 0.00 -1.10 0.00 0.00 60.65 59.46 1tza s ILE 52 Cb -0.10 -0.96 -0.01 0.00 -1.06 0.00 0.00 42.46 40.33 1tza s ILE 52 CO 0.24 -0.01 -0.11 -0.63 -0.10 0.00 0.00 174.94 174.33 1tza s ILE 53 N 1.84 3.11 -0.08 2.92 1.01 -0.33 -2.30 121.20 127.36 1tza s ILE 53 Ca 0.01 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1tza s ILE 53 Cb -0.15 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1tza s ILE 53 CO -0.07 0.50 -0.17 -0.89 0.00 0.00 0.00 174.94 174.31 1tza s THR 54 N 0.61 1.50 0.83 2.92 2.01 -0.12 -0.28 115.64 123.12 1tza s THR 54 Ca -0.07 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 1tza s THR 54 Cb -0.15 -1.33 0.15 0.00 0.01 0.00 0.00 72.50 71.17 1tza s THR 54 CO 0.03 0.44 1.15 1.51 -0.69 0.00 0.00 174.62 177.05 1tza s ASP 55 N 0.55 3.88 0.63 3.53 1.47 -0.81 -0.48 116.67 125.43 1tza s ASP 55 Ca -0.16 0.08 0.29 0.00 1.18 0.00 0.00 52.55 53.94 1tza s ASP 55 Cb -0.17 -0.35 1.58 0.00 -0.34 0.00 0.00 42.92 43.64 1tza s ASP 55 CO 0.06 -2.21 1.93 0.00 0.68 0.00 0.00 175.17 175.63 1tza h ALA 56 N -1.05 1.66 -0.48 2.11 0.00 -1.58 -1.25 119.26 118.66 1tza h ALA 56 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1tza h ALA 56 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1tza h ALA 56 CO 0.43 -0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.32 1tza n ASN 57 N -3.25 3.34 0.00 0.00 5.03 -1.26 -4.94 115.26 114.18 1tza n ASN 57 Ca 0.02 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.50 1tza n ASN 57 Cb 0.47 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 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 1.50 1.32 3.64 7.41 0.00 -0.47 -4.99 105.19 113.59 1tza n GLY 58 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.30 3.93 0.17 1.61 2.36 -1.26 -4.78 119.74 121.47 1tza s LYS 59 Ca 0.00 1.72 0.07 0.00 -2.55 0.00 0.00 55.97 55.20 1tza s LYS 59 Cb 0.00 -3.98 -0.04 0.00 -1.05 0.00 0.00 37.83 32.76 1tza s LYS 59 CO 0.00 -1.12 0.03 0.95 1.55 0.00 0.00 175.35 176.76 1tza s THR 60 N 4.70 3.90 0.18 3.43 -4.23 -1.26 -1.92 115.64 120.44 1tza s THR 60 Ca 0.68 -1.34 0.08 0.00 -1.18 0.00 0.00 61.69 59.93 1tza s THR 60 Cb -0.25 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1tza s THR 60 CO 0.27 -0.11 -0.16 -0.44 -0.54 0.00 0.00 174.62 173.64 1tza s SER 61 N -2.97 2.55 -0.04 3.99 0.01 0.62 -4.97 113.70 112.88 1tza s SER 61 Ca 0.28 -0.94 0.02 0.00 1.31 0.00 0.00 55.95 56.62 1tza s SER 61 Cb -0.09 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1tza s SER 61 CO 0.20 -0.12 -0.09 -0.70 0.41 0.00 0.00 173.24 172.94 1tza s GLU 62 N -3.26 1.15 -0.11 12.44 2.12 -1.26 -1.19 118.70 128.59 1tza s GLU 62 Ca 0.19 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.27 1tza s GLU 62 Cb -0.03 -1.03 0.00 0.00 0.26 0.00 0.00 34.13 33.33 1tza s GLU 62 CO 0.06 0.03 -0.23 0.08 -0.54 0.00 0.00 175.26 174.67 1tza s VAL 63 N 0.54 2.05 -0.03 3.70 1.01 -0.86 -4.97 120.40 121.84 1tza s VAL 63 Ca -0.09 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1tza s VAL 63 Cb -0.13 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1tza s VAL 63 CO 0.01 0.55 -0.06 -1.58 0.00 0.00 0.00 175.10 174.03 1tza s GLN 64 N 0.52 0.75 0.18 2.72 -0.44 -1.26 0.29 119.66 122.42 1tza s GLN 64 Ca -0.15 -0.19 -0.22 0.00 -2.50 0.00 0.00 55.36 52.30 1tza s GLN 64 Cb -0.17 -0.73 0.08 0.00 -1.64 0.00 0.00 33.01 30.54 1tza s GLN 64 CO 0.05 0.04 1.05 0.20 0.50 0.00 0.00 175.29 177.13 1tza s GLY 65 N 0.39 0.14 -0.12 2.59 0.00 -1.02 -5.02 107.32 104.28 1tza s GLY 65 Ca -0.05 -0.37 -0.20 0.00 0.00 0.00 0.00 44.72 44.10 1tza s GLY 65 CO 0.00 2.87 0.56 0.00 0.00 0.00 0.00 173.10 176.54 1tza s ALA 66 N -2.08 3.44 0.00 3.20 0.00 -1.26 -1.79 121.76 123.27 1tza s ALA 66 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1tza s ALA 66 Cb -0.03 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1tza s ALA 66 CO 0.05 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1tza n GLY 67 N 3.31 0.96 2.90 0.00 0.00 0.45 -4.70 105.19 108.12 1tza n GLY 67 Ca -0.05 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 0.16 -1.20 1.61 -7.23 -0.06 -4.18 120.40 109.50 1tza s VAL 68 Ca 0.00 -0.09 -0.05 0.00 -1.81 0.00 0.00 61.98 60.03 1tza s VAL 68 Cb 0.00 -0.14 0.05 0.00 0.56 0.00 0.00 36.38 36.85 1tza s VAL 68 CO 0.00 0.05 0.12 1.33 -0.31 0.00 0.00 175.10 176.29 1tza n VAL 69 N 3.03 -0.53 -0.30 1.32 0.24 -1.26 -0.81 118.33 120.03 1tza n VAL 69 Ca -0.12 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1tza n VAL 69 Cb 0.59 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 -1.82 1.32 3.16 7.63 0.00 -1.26 -5.04 105.19 109.18 1tza n GLY 70 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1tza n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tza s GLU 71 N -0.39 0.80 -0.73 1.61 -1.05 0.01 -5.05 118.70 113.89 1tza s GLU 71 Ca 0.00 -1.21 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 1tza s GLU 71 Cb 0.00 -0.30 0.18 0.00 -0.44 0.00 0.00 34.13 33.57 1tza s GLU 71 CO 0.00 0.02 0.56 0.95 0.95 0.00 0.00 175.26 177.74 1tza s THR 72 N -3.02 3.65 0.39 1.83 -4.23 -1.26 -0.88 115.64 112.12 1tza s THR 72 Ca 0.07 -3.66 -0.25 0.00 -1.18 0.00 0.00 61.69 56.67 1tza s THR 72 Cb 0.01 -3.34 -0.09 0.00 1.34 0.00 0.00 72.50 70.42 1tza s THR 72 CO -0.03 -0.98 1.14 -2.16 -0.54 0.00 0.00 174.62 172.05 1tza s PRO 73 N -0.91 4.12 -0.26 3.99 0.04 -1.25 -4.70 135.00 136.03 1tza s PRO 73 Ca 0.23 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.94 1tza s PRO 73 Cb -0.12 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1tza s PRO 73 CO -0.09 -0.24 0.15 0.99 0.04 0.00 0.00 177.00 177.85 1tza s THR 74 N -1.44 5.05 -0.36 1.26 2.01 -1.26 -1.26 115.64 119.63 1tza s THR 74 Ca 0.56 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 1tza s THR 74 Cb -0.29 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 68.86 1tza s THR 74 CO 0.37 0.30 0.18 -0.63 -0.69 0.00 0.00 174.62 174.15 1tza s ILE 75 N 1.54 4.44 1.02 1.82 1.01 0.17 -4.93 121.20 126.27 1tza s ILE 75 Ca 0.07 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 1tza s ILE 75 Cb -0.15 -3.46 0.20 0.00 0.01 0.00 0.00 42.46 39.06 1tza s ILE 75 CO 0.08 -0.19 1.13 -2.16 0.00 0.00 0.00 174.94 173.80 1tza s PRO 76 N 1.54 0.25 0.76 2.79 0.04 -1.26 -0.86 135.00 138.26 1tza s PRO 76 Ca 0.02 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.11 1tza s PRO 76 Cb -0.19 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1tza s PRO 76 CO 0.06 -2.78 0.96 -2.30 0.04 0.00 0.00 177.00 172.98 1tza n PRO 77 N -4.15 0.34 -4.12 0.56 -0.02 -1.26 -3.03 135.00 123.31 1tza n PRO 77 Ca 0.08 0.18 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 1tza n PRO 77 Cb 0.59 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1tza n PRO 77 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1tza n ASN 78 N -2.02 -2.32 -4.01 2.55 4.05 0.65 -4.95 115.26 109.22 1tza n ASN 78 Ca 0.12 -1.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.00 1tza n ASN 78 Cb 0.50 -2.89 -0.13 0.00 1.23 0.00 0.00 39.78 38.49 1tza n ASN 78 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1tza s THR 79 N -3.54 0.48 -0.28 -0.44 2.01 -1.17 -5.00 115.64 107.71 1tza s THR 79 Ca 0.48 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 1tza s THR 79 Cb -0.26 -0.47 0.04 0.00 0.01 0.00 0.00 72.50 71.82 1tza s THR 79 CO 0.91 -0.09 -0.02 0.00 -0.69 0.00 0.00 174.62 174.73 1tza s ALA 80 N -0.66 2.78 -0.22 7.40 0.00 -1.26 -1.38 121.76 128.42 1tza s ALA 80 Ca -0.03 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.16 1tza s ALA 80 Cb -0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1tza s ALA 80 CO 0.00 -1.07 0.34 -0.47 0.00 0.00 0.00 175.76 174.56 1tza s TYR 81 N 1.29 3.35 0.04 0.00 6.14 -0.57 -4.89 117.35 122.72 1tza s TYR 81 Ca -0.03 0.51 0.06 0.00 0.64 0.00 0.00 57.07 58.25 1tza s TYR 81 Cb -0.18 -2.47 -0.03 0.00 0.42 0.00 0.00 41.96 39.70 1tza s TYR 81 CO -0.02 -0.01 -0.14 -1.14 0.64 0.00 0.00 175.55 174.88 1tza s GLN 82 N 1.30 2.18 0.10 4.97 0.74 -1.26 -0.68 119.66 127.01 1tza s GLN 82 Ca 0.16 -0.94 -0.18 0.00 0.05 0.00 0.00 55.36 54.46 1tza s GLN 82 Cb -0.14 -2.27 0.04 0.00 1.10 0.00 0.00 33.01 31.73 1tza s GLN 82 CO 0.07 0.55 0.43 1.52 -0.55 0.00 0.00 175.29 177.31 1tza s TYR 83 N -0.99 -0.26 -0.01 1.67 -0.85 -0.75 -5.01 117.35 111.14 1tza s TYR 83 Ca 0.16 0.06 0.04 0.00 -0.52 0.00 0.00 57.07 56.81 1tza s TYR 83 Cb -0.11 0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 1tza s TYR 83 CO 0.07 -0.67 -0.14 0.99 -1.52 0.00 0.00 175.55 174.28 1tza s THR 84 N -3.35 1.12 0.00 -3.49 2.01 -1.26 -1.10 115.64 109.57 1tza s THR 84 Ca 0.00 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1tza s THR 84 Cb 0.01 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1tza s THR 84 CO -0.09 0.32 0.00 -0.24 -0.69 0.00 0.00 174.62 173.92 1tza n SER 85 N 2.81 0.00 -3.28 3.53 2.88 -0.52 -4.95 113.62 114.09 1tza n SER 85 Ca -0.15 -0.01 -0.04 0.00 -1.33 0.00 0.00 58.87 57.34 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 -0.01 0.16 0.07 0.46 0.00 -1.26 -1.35 107.32 105.40 1tza s GLY 86 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 44.72 44.06 1tza s GLY 86 CO 0.00 1.95 0.59 -1.08 0.00 0.00 0.00 173.10 174.55 1tza s THR 87 N -2.19 0.01 -0.20 0.90 -1.32 -0.22 -4.96 115.64 107.67 1tza s THR 87 Ca 0.21 -0.10 -0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1tza s THR 87 Cb -0.03 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 1tza s THR 87 CO 0.06 -0.06 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.68 1tza s VAL 88 N -2.76 3.42 0.16 5.08 1.01 -1.26 -0.55 120.40 125.50 1tza s VAL 88 Ca -0.04 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1tza s VAL 88 Cb -0.01 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1tza s VAL 88 CO -0.04 0.45 0.12 -0.76 0.00 0.00 0.00 175.10 174.87 1tza s LEU 89 N 1.15 3.77 0.00 3.92 1.43 0.21 -4.84 118.68 124.32 1tza s LEU 89 Ca 0.02 -0.13 0.28 0.00 -1.03 0.00 0.00 54.13 53.26 1tza s LEU 89 Cb -0.14 -2.39 1.07 0.00 0.03 0.00 0.00 46.19 44.76 1tza s LEU 89 CO -0.01 0.08 1.76 -0.90 0.23 0.00 0.00 176.35 177.51 1tza n ASP 90 N -0.25 1.44 -4.11 2.29 5.68 -1.26 -0.07 116.55 120.26 1tza n ASP 90 Ca -0.08 -1.47 -0.14 0.00 -0.50 0.00 0.00 54.79 52.60 1tza n ASP 90 Cb 0.54 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.41 1tza n ASP 90 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1tza s THR 91 N -2.01 0.74 -1.80 2.12 -4.23 -1.26 -4.65 115.64 104.55 1tza s THR 91 Ca 0.38 -1.30 0.16 0.00 -1.18 0.00 0.00 61.69 59.75 1tza s THR 91 Cb 0.21 -0.93 0.40 0.00 1.34 0.00 0.00 72.50 73.52 1tza s THR 91 CO 0.34 -0.43 1.40 -0.81 -0.54 0.00 0.00 174.62 174.59 1tza n PRO 92 N 1.13 0.41 -4.02 3.99 -0.04 -1.26 -4.68 135.00 130.52 1tza n PRO 92 Ca -0.20 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 1tza n PRO 92 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 1tza n PRO 92 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1tza s PHE 93 N -2.20 0.40 0.05 0.54 5.36 -1.26 -1.69 117.98 119.19 1tza s PHE 93 Ca 0.21 -0.37 -0.27 0.00 -0.96 0.00 0.00 56.93 55.54 1tza s PHE 93 Cb 0.11 -0.26 0.10 0.00 -0.34 0.00 0.00 43.02 42.63 1tza s PHE 93 CO 0.21 -0.09 1.20 0.20 -1.46 0.00 0.00 175.22 175.27 1tza s GLY 94 N -1.06 -0.17 0.10 13.12 0.00 -0.43 -1.44 107.32 117.44 1tza s GLY 94 Ca -0.08 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.81 1tza s GLY 94 CO -0.00 2.60 0.05 1.39 0.00 0.00 0.00 173.10 177.14 1tza n ILE 95 N -0.68 0.00 0.00 0.90 2.08 0.37 -0.79 119.36 121.23 1tza n ILE 95 Ca -0.03 -0.63 0.00 0.00 0.56 0.00 0.00 62.75 62.65 1tza n ILE 95 Cb 0.60 0.25 0.00 0.00 -0.75 0.00 0.00 39.64 39.75 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 -0.22 0.00 -0.67 1.39 0.18 -0.97 -0.94 117.16 115.92 1tza n TYR 97 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 1tza n TYR 97 Cb 0.16 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.12 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 -1.40 -0.46 3.24 -7.48 0.00 -0.99 -0.83 105.19 97.27 1tza n GLY 98 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.83 0.12 -0.11 2.61 -4.23 -0.58 -0.97 115.64 108.65 1tza s THR 99 Ca 0.00 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1tza s THR 99 Cb 0.00 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.49 1tza s THR 99 CO 0.00 -0.55 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.06 1tza s TYR 100 N -3.85 2.73 0.48 3.99 2.02 -0.59 -0.79 117.35 121.34 1tza s TYR 100 Ca 0.05 -0.62 -0.08 0.00 -0.37 0.00 0.00 57.07 56.05 1tza s TYR 100 Cb 0.04 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.78 1tza s TYR 100 CO -0.11 -0.17 0.83 0.20 -1.57 0.00 0.00 175.55 174.73 1tza s GLY 101 N 0.11 1.70 -0.30 0.71 0.00 0.17 -1.78 107.32 107.94 1tza s GLY 101 Ca -0.08 -0.30 -0.20 0.00 0.00 0.00 0.00 44.72 44.14 1tza s GLY 101 CO 0.05 -0.11 1.33 0.54 0.00 0.00 0.00 173.10 174.92 1tza s VAL 103 N -2.68 0.00 0.47 1.40 0.11 -0.28 -0.69 120.40 118.72 1tza s VAL 103 Ca 0.50 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1tza s VAL 103 Cb -0.10 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1tza s VAL 103 CO 0.41 0.00 0.69 -0.94 -3.33 0.00 0.00 175.10 171.94 1tza s SER 104 N 0.55 5.78 0.33 3.54 1.04 0.47 -0.25 113.70 125.15 1tza s SER 104 Ca -0.01 0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.80 1tza s SER 104 Cb -0.04 -1.50 0.81 0.00 0.10 0.00 0.00 66.02 65.39 1tza s SER 104 CO -0.13 -0.76 1.80 -0.08 0.98 0.00 0.00 173.24 175.06 1tza h GLU 105 N 0.34 0.68 0.00 4.02 4.57 -1.78 0.85 114.58 123.25 1tza h GLU 105 Ca -0.46 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1tza h GLU 105 Cb 1.26 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1tza h GLU 105 CO 0.57 0.45 0.00 -1.13 -1.18 0.00 0.00 179.01 177.72 1tza n SER 106 N -4.69 0.00 0.00 1.04 3.41 -1.26 -4.85 113.62 107.26 1tza n SER 106 Ca 0.22 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1tza n SER 106 Cb 0.59 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.14 1.25 3.75 5.00 0.00 0.29 -5.04 105.19 110.58 1tza n GLY 107 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.49 4.62 -0.15 1.61 2.12 -1.25 -4.65 118.70 120.50 1tza s GLU 108 Ca 0.00 1.76 -0.10 0.00 0.36 0.00 0.00 54.97 56.99 1tza s GLU 108 Cb 0.00 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1tza s GLU 108 CO 0.00 0.14 0.19 -1.01 -0.54 0.00 0.00 175.26 174.04 1tza s HIS 109 N -0.68 3.51 0.29 5.30 3.76 -1.26 -0.40 115.29 125.81 1tza s HIS 109 Ca 0.47 0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 55.77 1tza s HIS 109 Cb -0.31 -2.13 0.01 0.00 1.11 0.00 0.00 32.58 31.26 1tza s HIS 109 CO 0.38 0.46 0.53 -0.59 -0.85 0.00 0.00 174.74 174.66 1tza s PHE 110 N -0.20 0.50 -0.02 1.40 -0.71 -1.26 -5.00 117.98 112.69 1tza s PHE 110 Ca 0.13 -0.87 0.05 0.00 -1.04 0.00 0.00 56.93 55.20 1tza s PHE 110 Cb -0.12 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 1tza s PHE 110 CO 0.02 -1.12 -0.18 -0.80 -1.34 0.00 0.00 175.22 171.81 1tza s ASN 111 N -3.08 3.76 -0.30 1.98 0.01 -1.26 -4.58 114.94 111.46 1tza s ASN 111 Ca 0.23 -0.31 -0.10 0.00 -0.71 0.00 0.00 52.86 51.98 1tza s ASN 111 Cb -0.01 -0.68 -0.01 0.00 0.41 0.00 0.00 41.25 40.95 1tza s ASN 111 CO 0.12 0.32 0.15 0.00 -1.51 0.00 0.00 177.10 176.18 1tza s ALA 112 N -0.76 3.29 0.29 0.60 0.00 -0.73 -4.77 121.76 119.67 1tza s ALA 112 Ca 0.12 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 1tza s ALA 112 Cb -0.10 -2.37 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 1tza s ALA 112 CO 0.01 -0.84 1.04 0.42 0.00 0.00 0.00 175.76 176.39 1tza s ILE 113 N 1.62 3.70 -0.39 0.00 1.01 -1.26 -1.54 121.20 124.34 1tza s ILE 113 Ca 0.05 1.63 -0.01 0.00 0.00 0.00 0.00 60.65 62.32 1tza s ILE 113 Cb -0.17 -4.01 0.11 0.00 0.01 0.00 0.00 42.46 38.40 1tza s ILE 113 CO 0.06 0.33 0.16 -0.63 0.00 0.00 0.00 174.94 174.86 1tza s ILE 114 N -1.26 3.00 0.66 2.92 1.01 -0.14 -4.54 121.20 122.85 1tza s ILE 114 Ca 0.46 -2.12 -0.17 0.00 0.00 0.00 0.00 60.65 58.81 1tza s ILE 114 Cb -0.28 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1tza s ILE 114 CO 0.36 -0.65 0.99 0.29 0.00 0.00 0.00 174.94 175.93 1tza n LYS 115 N 4.50 0.74 -1.96 2.79 4.76 -1.26 -2.33 118.16 125.39 1tza n LYS 115 Ca -0.01 0.30 -0.41 0.00 -2.87 0.00 0.00 58.31 55.32 1tza n LYS 115 Cb 0.42 -2.22 -0.02 0.00 -1.84 0.00 0.00 35.03 31.36 1tza n LYS 115 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1tza s PRO 116 N -3.07 4.23 0.05 1.97 0.04 -1.26 -4.65 135.00 132.31 1tza s PRO 116 Ca 0.76 2.38 0.02 0.00 0.04 0.00 0.00 61.00 64.19 1tza s PRO 116 Cb -0.38 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1tza s PRO 116 CO 0.47 -0.44 -0.07 -0.59 0.04 0.00 0.00 177.00 176.41 1tza s PHE 117 N -0.34 0.69 0.51 0.56 -0.12 -1.26 -5.01 117.98 113.02 1tza s PHE 117 Ca 0.57 -0.60 -0.04 0.00 -0.05 0.00 0.00 56.93 56.81 1tza s PHE 117 Cb -0.43 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.53 1tza s PHE 117 CO 0.48 -0.11 0.79 -0.98 -0.05 0.00 0.00 175.22 175.35 1tza s ARG 118 N -2.11 3.19 -0.09 1.99 1.04 -1.26 -4.44 118.95 117.27 1tza s ARG 118 Ca -0.05 -0.06 -0.01 0.00 -1.04 0.00 0.00 55.73 54.57 1tza s ARG 118 Cb -0.06 -2.39 0.03 0.00 -2.04 0.00 0.00 34.95 30.48 1tza s ARG 118 CO -0.01 -0.39 -0.03 -0.51 -0.04 0.00 0.00 175.30 174.32 1tza s LEU 119 N -4.77 0.86 -0.17 -1.89 1.43 0.03 -4.86 118.68 109.31 1tza s LEU 119 Ca 0.50 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 1tza s LEU 119 Cb -0.10 -0.60 0.04 0.00 0.03 0.00 0.00 46.19 45.56 1tza s LEU 119 CO 0.43 -0.16 0.44 0.00 0.23 0.00 0.00 176.35 177.29 1tza s ALA 120 N 1.81 -1.09 0.28 4.21 0.00 -1.26 -1.31 121.76 124.40 1tza s ALA 120 Ca 0.04 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1tza s ALA 120 Cb -0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 23.12 22.16 1tza s ALA 120 CO -0.06 -0.21 1.20 0.95 0.00 0.00 0.00 175.76 177.63 1tza s THR 121 N 0.30 3.22 0.36 0.00 -4.23 -0.68 -4.63 115.64 109.99 1tza s THR 121 Ca -0.01 1.18 -0.26 0.00 -1.18 0.00 0.00 61.69 61.43 1tza s THR 121 Cb -0.03 -3.75 -0.12 0.00 1.34 0.00 0.00 72.50 69.93 1tza s THR 121 CO -0.00 0.26 0.93 -0.81 -0.54 0.00 0.00 174.62 174.46 1tza n PRO 122 N 1.36 1.20 -2.61 3.99 -0.04 -1.26 -2.68 135.00 134.96 1tza n PRO 122 Ca 0.01 0.43 -0.20 0.00 -0.04 0.00 0.00 63.50 63.69 1tza n PRO 122 Cb 0.44 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1tza n PRO 122 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tza n GLY 123 N 1.31 -0.51 0.24 0.55 0.00 -1.26 -4.86 105.19 100.66 1tza n GLY 123 Ca 0.10 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 1tza n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tza h LEU 124 N -0.40 0.52 -8.45 0.99 5.85 -1.90 -3.40 115.31 108.52 1tza h LEU 124 Ca -0.48 -0.17 -0.66 0.00 0.84 0.00 0.00 57.88 57.41 1tza h LEU 124 Cb 1.34 -0.14 -0.29 0.00 0.37 0.00 0.00 40.66 41.94 1tza h LEU 124 CO 0.55 0.76 -0.80 -0.22 -0.34 0.00 0.00 178.44 178.38 1tza s LEU 125 N -8.72 2.50 0.67 2.25 2.96 -1.26 -5.10 118.68 111.98 1tza s LEU 125 Ca -0.07 -0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 53.23 1tza s LEU 125 Cb 0.14 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.27 1tza s LEU 125 CO 0.79 0.12 1.29 -1.38 -1.32 0.00 0.00 176.35 175.86 1tza s HIS 126 N 0.58 2.02 0.33 5.38 -3.43 -1.26 -4.94 115.29 113.97 1tza s HIS 126 Ca -0.09 1.51 -0.28 0.00 -0.80 0.00 0.00 55.06 55.39 1tza s HIS 126 Cb -0.16 -3.68 -0.10 0.00 -1.43 0.00 0.00 32.58 27.21 1tza s HIS 126 CO 0.03 -2.96 1.28 -1.17 -2.00 0.00 0.00 174.74 169.92 1tza s LEU 127 N -4.56 4.42 0.12 5.38 2.96 -1.26 -5.03 118.68 120.70 1tza s LEU 127 Ca 0.82 2.63 -0.08 0.00 -0.22 0.00 0.00 54.13 57.28 1tza s LEU 127 Cb -0.37 -3.68 -0.06 0.00 0.50 0.00 0.00 46.19 42.58 1tza s LEU 127 CO 0.41 -0.52 0.42 -1.61 -1.32 0.00 0.00 176.35 173.73 1tza s GLU 128 N -1.81 3.72 -0.10 1.98 0.41 -1.26 -5.09 118.70 116.55 1tza s GLU 128 Ca 0.49 0.11 0.04 0.00 -0.41 0.00 0.00 54.97 55.20 1tza s GLU 128 Cb -0.39 -2.90 -0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1tza s GLU 128 CO 0.51 0.49 -0.23 -1.01 -0.49 0.00 0.00 175.26 174.53 1tza s HIS 129 N -1.54 2.56 0.21 1.61 3.76 -1.26 -5.12 115.29 115.51 1tza s HIS 129 Ca 0.38 -0.95 0.11 0.00 -0.15 0.00 0.00 55.06 54.45 1tza s HIS 129 Cb -0.13 -1.70 -0.05 0.00 1.11 0.00 0.00 32.58 31.81 1tza s HIS 129 CO 0.21 -0.36 -0.23 -1.01 -0.85 0.00 0.00 174.74 172.49 1tza s HIS 130 N 0.25 2.30 -0.04 1.40 3.76 -1.26 -5.15 115.29 116.54 1tza s HIS 130 Ca -0.15 -0.35 -0.22 0.00 -0.15 0.00 0.00 55.06 54.19 1tza s HIS 130 Cb -0.17 -1.12 0.04 0.00 1.11 0.00 0.00 32.58 32.44 1tza s HIS 130 CO 0.08 0.53 0.48 -3.38 -0.85 0.00 0.00 174.74 171.59 1tza s HIS 131 N -1.79 -0.41 -0.12 1.40 -3.43 -1.26 -5.11 115.29 104.57 1tza s HIS 131 Ca 0.22 0.71 -0.29 0.00 -0.80 0.00 0.00 55.06 54.90 1tza s HIS 131 Cb -0.07 0.23 -0.06 0.00 -1.43 0.00 0.00 32.58 31.25 1tza s HIS 131 CO 0.11 -0.47 1.93 -1.58 -2.00 0.00 0.00 174.74 172.73 1tza s HIS 132 N -1.14 1.51 0.94 0.38 2.46 -1.26 -4.96 115.29 113.23 1tza s HIS 132 Ca -0.11 0.17 -0.12 0.00 0.47 0.00 0.00 55.06 55.46 1tza s HIS 132 Cb -0.03 -4.06 0.16 0.00 -0.13 0.00 0.00 32.58 28.52 1tza s HIS 132 CO 0.06 -4.28 1.13 -1.01 -2.47 0.00 0.00 174.74 168.17 1tza s HIS 133 N 5.89 2.35 0.00 3.88 3.76 -1.26 -5.37 115.29 124.53 1tza s HIS 133 Ca 0.87 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 56.65 1tza s HIS 133 Cb -0.34 -3.36 0.00 0.00 1.11 0.00 0.00 32.58 29.98 1tza s HIS 133 CO 0.35 -2.56 0.00 1.58 -0.85 0.00 0.00 174.74 173.26