#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujt s SER 2 N 0.00 6.43 0.11 1.61 0.15 -1.26 -4.89 113.70 115.85 1ujt s SER 2 Ca 0.00 -1.43 -0.32 0.00 0.70 0.00 0.00 55.95 54.90 1ujt s SER 2 Cb 0.00 -2.47 -0.11 0.00 -1.71 0.00 0.00 66.02 61.73 1ujt s SER 2 CO 0.00 -1.38 1.58 0.28 1.20 0.00 0.00 173.24 174.92 1ujt h SER 3 N 9.44 -1.29 -2.64 5.45 0.02 -2.12 -3.45 113.55 118.94 1ujt h SER 3 Ca 0.02 0.14 0.14 0.00 -0.84 0.00 0.00 61.79 61.24 1ujt h SER 3 Cb 1.03 0.48 -0.30 0.00 0.14 0.00 0.00 62.40 63.76 1ujt h SER 3 CO 1.24 -0.50 0.70 -0.83 -1.14 0.00 0.00 176.83 176.30 1ujt s GLY 4 N -2.35 0.13 0.21 -3.77 0.00 -1.26 -5.19 107.32 95.09 1ujt s GLY 4 Ca -0.16 3.13 -0.23 0.00 0.00 0.00 0.00 44.72 47.46 1ujt s GLY 4 CO 0.63 1.86 0.82 -0.56 0.00 0.00 0.00 173.10 175.85 1ujt s SER 5 N 0.07 -0.25 -0.02 1.64 0.01 -1.26 -5.18 113.70 108.70 1ujt s SER 5 Ca 0.06 -0.47 -0.08 0.00 1.31 0.00 0.00 55.95 56.77 1ujt s SER 5 Cb -0.05 0.61 0.01 0.00 0.21 0.00 0.00 66.02 66.80 1ujt s SER 5 CO -0.11 -1.11 0.17 -0.44 0.41 0.00 0.00 173.24 172.16 1ujt s SER 6 N -2.90 -0.07 -0.24 2.44 0.01 -1.26 -5.01 113.70 106.67 1ujt s SER 6 Ca 0.11 0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.30 1ujt s SER 6 Cb -0.04 0.28 0.01 0.00 0.21 0.00 0.00 66.02 66.48 1ujt s SER 6 CO 0.03 -0.28 0.31 0.61 0.41 0.00 0.00 173.24 174.32 1ujt n GLY 7 N 1.93 -1.38 0.06 3.44 0.00 -1.26 -4.98 105.19 103.00 1ujt n GLY 7 Ca -0.19 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 1ujt n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ujt h ARG 8 N 1.25 0.00 -0.54 1.61 3.08 -2.05 -3.31 114.38 114.43 1ujt h ARG 8 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ujt h ARG 8 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1ujt h ARG 8 CO 0.11 0.59 0.00 0.94 -1.07 0.00 0.00 179.97 180.54 1ujt n GLN 9 N -4.67 1.56 -0.07 0.04 7.27 -1.26 -4.01 117.38 116.24 1ujt n GLN 9 Ca -0.07 -0.58 -0.12 0.00 0.07 0.00 0.00 57.00 56.31 1ujt n GLN 9 Cb 0.29 -1.39 -0.06 0.00 2.41 0.00 0.00 30.24 31.50 1ujt n GLN 9 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 1ujt h VAL 10 N 0.82 1.30 0.00 1.69 3.04 -1.94 0.29 116.25 121.45 1ujt h VAL 10 Ca 0.00 -1.10 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 1ujt h VAL 10 Cb 0.50 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1ujt h VAL 10 CO 0.05 0.33 0.00 0.00 -1.01 0.00 0.00 177.57 176.94 1ujt n GLN 11 N -4.59 0.91 -0.08 4.17 6.02 -1.26 -1.12 117.38 121.43 1ujt n GLN 11 Ca -0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.81 1ujt n GLN 11 Cb 0.30 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 1ujt n GLN 11 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ujt n LYS 12 N -0.97 0.37 -0.01 -1.09 3.00 -1.02 -4.70 118.16 113.75 1ujt n LYS 12 Ca 0.20 0.11 -0.20 0.00 -0.00 0.00 0.00 58.31 58.43 1ujt n LYS 12 Cb 0.09 -1.22 -0.14 0.00 0.00 0.00 0.00 35.03 33.76 1ujt n LYS 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ujt h GLU 13 N -0.22 0.19 0.00 1.64 4.57 -0.47 -3.31 114.58 116.98 1ujt h GLU 13 Ca -0.37 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.49 1ujt h GLU 13 Cb 1.47 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1ujt h GLU 13 CO -0.13 1.15 0.00 -0.11 -1.18 0.00 0.00 179.01 178.74 1ujt n LEU 14 N -4.13 0.00 -0.18 1.64 7.94 -0.28 -0.21 117.00 121.78 1ujt n LEU 14 Ca -0.21 0.59 -0.01 0.00 -1.11 0.00 0.00 56.01 55.27 1ujt n LEU 14 Cb 0.79 -0.25 0.09 0.00 0.53 0.00 0.00 43.42 44.58 1ujt n LEU 14 CO 0.39 -0.25 0.94 1.23 -1.11 0.00 0.00 177.39 178.58 1ujt h GLY 15 N 0.00 0.72 -0.24 -3.96 0.00 -1.78 -2.40 103.07 95.41 1ujt h GLY 15 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.36 1ujt h GLY 15 CO 0.00 -0.06 -0.32 -0.55 0.00 0.00 0.00 176.54 175.60 1ujt h ASP 16 N 0.30 -1.09 -0.49 0.19 5.19 -0.67 -3.40 116.42 116.44 1ujt h ASP 16 Ca 0.28 0.20 -0.58 0.00 -0.62 0.00 0.00 57.03 56.31 1ujt h ASP 16 Cb 0.38 0.52 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 1ujt h ASP 16 CO -0.34 -0.31 0.60 0.52 -3.12 0.00 0.00 179.24 176.59 1ujt n VAL 17 N -5.42 0.00 -3.50 -1.35 0.31 0.68 -4.85 118.33 104.19 1ujt n VAL 17 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 1ujt n VAL 17 Cb 0.34 -0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1ujt n VAL 17 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1ujt s LEU 18 N 2.66 6.02 -0.12 7.52 0.20 -1.26 -4.68 118.68 129.02 1ujt s LEU 18 Ca 0.75 -2.59 -0.29 0.00 0.69 0.00 0.00 54.13 52.69 1ujt s LEU 18 Cb -1.03 -2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 42.65 1ujt s LEU 18 CO 0.53 -0.53 1.32 -0.69 -0.29 0.00 0.00 176.35 176.69 1ujt s VAL 19 N 0.34 4.13 -0.50 1.68 1.01 -1.26 -4.15 120.40 121.65 1ujt s VAL 19 Ca 0.15 1.40 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 1ujt s VAL 19 Cb -0.17 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.40 1ujt s VAL 19 CO -0.05 -0.09 0.44 -0.60 0.00 0.00 0.00 175.10 174.79 1ujt s ARG 20 N 3.25 2.98 -0.41 2.72 3.52 0.50 -4.61 118.95 126.92 1ujt s ARG 20 Ca 0.58 -1.48 -0.25 0.00 -0.13 0.00 0.00 55.73 54.46 1ujt s ARG 20 Cb -0.25 -4.19 0.02 0.00 -1.56 0.00 0.00 34.95 28.97 1ujt s ARG 20 CO 0.19 -1.14 0.88 -1.17 -0.81 0.00 0.00 175.30 173.24 1ujt s LEU 21 N 1.64 4.06 0.00 -0.88 2.96 -1.26 -2.43 118.68 122.77 1ujt s LEU 21 Ca 0.04 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1ujt s LEU 21 Cb -0.26 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.28 1ujt s LEU 21 CO 0.05 -0.90 0.46 1.41 -1.32 0.00 0.00 176.35 176.06 1ujt n HIS 22 N 6.81 0.00 -3.65 5.38 8.25 -1.24 -4.90 115.22 125.87 1ujt n HIS 22 Ca 0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 1ujt n HIS 22 Cb 0.48 -0.30 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1ujt n HIS 22 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ujt s ASN 23 N -2.08 -0.19 -1.18 0.41 2.20 -1.26 -5.08 114.94 107.75 1ujt s ASN 23 Ca 0.00 0.36 -0.23 0.00 -0.94 0.00 0.00 52.86 52.06 1ujt s ASN 23 Cb 0.00 0.42 -0.09 0.00 -2.00 0.00 0.00 41.25 39.58 1ujt s ASN 23 CO 0.00 -0.06 1.94 -2.16 -2.94 0.00 0.00 177.10 173.87 1ujt s PRO 24 N 0.17 2.49 -0.51 3.55 0.04 -1.26 -4.34 135.00 135.13 1ujt s PRO 24 Ca 0.05 -1.17 -0.34 0.00 0.04 0.00 0.00 61.00 59.58 1ujt s PRO 24 Cb -0.05 -5.24 -0.14 0.00 0.04 0.00 0.00 34.50 29.11 1ujt s PRO 24 CO -0.12 -3.99 2.31 0.28 0.04 0.00 0.00 177.00 175.51 1ujt n VAL 25 N 7.81 0.09 -2.65 -0.36 0.31 0.11 -4.70 118.33 118.93 1ujt n VAL 25 Ca 0.45 -0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 64.11 1ujt n VAL 25 Cb 0.47 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.94 1ujt n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ujt s VAL 26 N 8.10 4.07 -0.14 2.52 0.11 -1.26 -0.68 120.40 133.12 1ujt s VAL 26 Ca 1.14 0.60 -0.15 0.00 -2.93 0.00 0.00 61.98 60.65 1ujt s VAL 26 Cb -0.93 -4.72 -0.12 0.00 -1.53 0.00 0.00 36.38 29.08 1ujt s VAL 26 CO 0.48 -1.39 0.23 -0.07 -3.33 0.00 0.00 175.10 171.02 1ujt h LEU 27 N 11.87 0.00 -8.72 2.54 3.38 -1.89 -3.49 115.31 119.00 1ujt h LEU 27 Ca -0.26 -0.39 -0.35 0.00 0.09 0.00 0.00 57.88 56.97 1ujt h LEU 27 Cb 1.06 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 1ujt h LEU 27 CO 1.18 0.90 -0.70 0.42 0.09 0.00 0.00 178.44 180.33 1ujt s THR 28 N -2.05 1.18 -1.61 0.22 -4.23 -0.74 -4.86 115.64 103.54 1ujt s THR 28 Ca -0.14 -2.07 0.15 0.00 -1.18 0.00 0.00 61.69 58.45 1ujt s THR 28 Cb 0.01 -1.98 0.32 0.00 1.34 0.00 0.00 72.50 72.18 1ujt s THR 28 CO 0.36 -0.63 1.39 -0.81 -0.54 0.00 0.00 174.62 174.39 1ujt n PRO 29 N -0.26 0.30 0.00 3.99 -0.04 -1.26 -2.03 135.00 135.69 1ujt n PRO 29 Ca -0.09 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ujt n PRO 29 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1ujt n PRO 29 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujt n THR 30 N -1.19 0.42 -3.64 0.52 -2.24 -1.26 -3.16 114.28 103.73 1ujt n THR 30 Ca 0.09 -0.64 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 1ujt n THR 30 Cb 0.10 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 1ujt n THR 30 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ujt s THR 31 N -0.42 -0.00 -0.04 4.28 2.01 -0.86 -2.54 115.64 118.07 1ujt s THR 31 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1ujt s THR 31 Cb 0.00 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1ujt s THR 31 CO 0.00 0.00 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.17 1ujt s VAL 32 N 0.40 0.69 -0.15 3.82 1.01 -0.87 -1.80 120.40 123.50 1ujt s VAL 32 Ca -0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 1ujt s VAL 32 Cb -0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1ujt s VAL 32 CO 0.01 0.24 0.51 -1.58 0.00 0.00 0.00 175.10 174.28 1ujt s GLN 33 N 0.53 4.29 -0.17 2.72 0.74 0.15 -1.87 119.66 126.04 1ujt s GLN 33 Ca -0.08 0.48 -0.02 0.00 0.05 0.00 0.00 55.36 55.78 1ujt s GLN 33 Cb -0.12 -3.49 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 1ujt s GLN 33 CO 0.01 0.03 -0.07 0.08 -0.55 0.00 0.00 175.29 174.78 1ujt s VAL 34 N 1.04 3.37 0.17 1.34 1.01 0.45 -0.71 120.40 127.06 1ujt s VAL 34 Ca 0.26 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1ujt s VAL 34 Cb -0.15 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1ujt s VAL 34 CO 0.11 0.48 -0.22 -0.89 0.00 0.00 0.00 175.10 174.57 1ujt s THR 35 N 0.81 2.08 0.22 3.92 2.01 -1.26 -1.18 115.64 122.22 1ujt s THR 35 Ca -0.03 -1.91 -0.23 0.00 0.31 0.00 0.00 61.69 59.84 1ujt s THR 35 Cb -0.15 -1.94 0.05 0.00 0.01 0.00 0.00 72.50 70.47 1ujt s THR 35 CO 0.01 -0.16 0.89 -1.66 -0.69 0.00 0.00 174.62 173.01 1ujt s TRP 36 N -1.68 -0.10 0.02 4.92 -2.14 -0.83 -3.70 118.94 115.43 1ujt s TRP 36 Ca 0.17 -0.30 -0.14 0.00 2.66 0.00 0.00 56.10 58.48 1ujt s TRP 36 Cb -0.08 0.69 0.02 0.00 -3.10 0.00 0.00 33.47 31.00 1ujt s TRP 36 CO 0.08 -1.03 0.30 -0.08 -2.66 0.00 0.00 176.95 173.56 1ujt s THR 37 N -3.23 0.07 -0.02 0.66 -1.32 -1.02 -4.79 115.64 106.00 1ujt s THR 37 Ca 0.13 -0.61 0.03 0.00 -1.21 0.00 0.00 61.69 60.03 1ujt s THR 37 Cb -0.03 -0.83 -0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1ujt s THR 37 CO 0.05 -0.34 -0.11 0.68 -2.21 0.00 0.00 174.62 172.69 1ujt s VAL 38 N -2.12 0.91 -0.04 5.08 -7.23 -1.26 -0.37 120.40 115.37 1ujt s VAL 38 Ca -0.08 -0.46 -0.25 0.00 -1.81 0.00 0.00 61.98 59.38 1ujt s VAL 38 Cb -0.02 -0.78 -0.19 0.00 0.56 0.00 0.00 36.38 35.95 1ujt s VAL 38 CO -0.01 0.27 1.11 -0.78 -0.31 0.00 0.00 175.10 175.38 1ujt h ASP 39 N 6.09 -0.10 -3.77 4.85 3.58 -1.99 -3.39 116.42 121.69 1ujt h ASP 39 Ca -0.33 -0.45 -0.72 0.00 0.42 0.00 0.00 57.03 55.95 1ujt h ASP 39 Cb 1.17 0.02 -0.32 0.00 1.72 0.00 0.00 39.33 41.93 1ujt h ASP 39 CO 0.49 0.43 -0.29 -0.13 -2.88 0.00 0.00 179.24 176.86 1ujt s ARG 40 N -3.91 2.71 -0.13 0.28 0.52 -1.26 -5.05 118.95 112.11 1ujt s ARG 40 Ca -0.15 -2.24 -0.29 0.00 -0.52 0.00 0.00 55.73 52.53 1ujt s ARG 40 Cb 0.01 -3.92 -0.05 0.00 0.52 0.00 0.00 34.95 31.51 1ujt s ARG 40 CO 0.60 -1.20 1.70 -1.14 0.02 0.00 0.00 175.30 175.29 1ujt s GLN 41 N 0.50 3.94 0.28 3.54 0.74 -1.26 -4.77 119.66 122.64 1ujt s GLN 41 Ca 0.13 1.99 -0.29 0.00 0.05 0.00 0.00 55.36 57.24 1ujt s GLN 41 Cb -0.20 -4.05 -0.10 0.00 1.10 0.00 0.00 33.01 29.76 1ujt s GLN 41 CO -0.04 -1.13 1.25 -1.25 -0.55 0.00 0.00 175.29 173.57 1ujt s PRO 42 N 4.50 4.45 -0.02 1.67 0.04 -1.26 -4.96 135.00 139.42 1ujt s PRO 42 Ca 0.76 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.89 1ujt s PRO 42 Cb -0.30 -3.14 -0.25 0.00 0.04 0.00 0.00 34.50 30.85 1ujt s PRO 42 CO 0.31 -0.09 0.77 1.96 0.04 0.00 0.00 177.00 179.99 1ujt h GLN 43 N 4.03 0.12 -0.19 4.56 4.20 -2.00 -3.36 115.11 122.47 1ujt h GLN 43 Ca -0.47 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 57.90 1ujt h GLN 43 Cb 1.22 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1ujt h GLN 43 CO 0.69 0.87 -0.40 0.27 -0.67 0.00 0.00 178.83 179.59 1ujt h PHE 44 N 0.03 0.77 -1.13 2.96 -0.00 -1.98 -3.46 116.94 114.14 1ujt h PHE 44 Ca -0.25 -0.28 -0.43 0.00 -0.00 0.00 0.00 57.97 57.00 1ujt h PHE 44 Cb 1.98 -0.14 0.11 0.00 -0.00 0.00 0.00 35.95 37.90 1ujt h PHE 44 CO 0.03 1.04 -0.64 1.51 -0.00 0.00 0.00 178.31 180.25 1ujt n ILE 45 N -4.25 0.51 -0.03 0.88 3.06 -1.26 -4.89 119.36 113.38 1ujt n ILE 45 Ca -0.06 -0.34 0.02 0.00 -2.50 0.00 0.00 62.75 59.87 1ujt n ILE 45 Cb 0.53 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.60 1ujt n ILE 45 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ujt n GLN 46 N 0.91 0.92 0.00 9.51 1.13 -1.06 -4.91 117.38 123.88 1ujt n GLN 46 Ca 0.08 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1ujt n GLN 46 Cb 0.27 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.27 1ujt n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ujt n GLY 47 N 1.84 -1.00 3.14 1.08 0.00 -1.18 -3.71 105.19 105.37 1ujt n GLY 47 Ca -0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1ujt n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ujt s TYR 48 N -4.00 -0.25 -0.37 1.61 2.02 -1.26 -3.67 117.35 111.43 1ujt s TYR 48 Ca 0.00 0.59 -0.06 0.00 -0.37 0.00 0.00 57.07 57.23 1ujt s TYR 48 Cb 0.00 0.08 0.07 0.00 -0.40 0.00 0.00 41.96 41.71 1ujt s TYR 48 CO 0.00 -0.16 0.16 0.50 -1.57 0.00 0.00 175.55 174.48 1ujt s ARG 49 N -0.08 2.45 -0.58 -0.62 3.52 -0.73 -1.68 118.95 121.23 1ujt s ARG 49 Ca -0.02 -1.42 -0.19 0.00 -0.13 0.00 0.00 55.73 53.97 1ujt s ARG 49 Cb -0.02 -3.54 0.09 0.00 -1.56 0.00 0.00 34.95 29.92 1ujt s ARG 49 CO 0.01 -0.84 0.71 0.08 -0.81 0.00 0.00 175.30 174.45 1ujt s VAL 50 N 1.33 4.79 -0.00 7.11 1.01 -1.16 -3.42 120.40 130.04 1ujt s VAL 50 Ca 0.01 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 1ujt s VAL 50 Cb -0.21 -4.47 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 1ujt s VAL 50 CO 0.00 -1.10 0.65 -0.04 0.00 0.00 0.00 175.10 174.62 1ujt s MET 51 N 2.80 4.38 0.05 2.72 -1.94 -1.18 -2.00 119.30 124.13 1ujt s MET 51 Ca 0.13 0.84 -0.06 0.00 -1.71 0.00 0.00 55.69 54.88 1ujt s MET 51 Cb -0.23 -3.37 -0.01 0.00 2.01 0.00 0.00 34.83 33.24 1ujt s MET 51 CO 0.08 0.29 0.12 1.52 -0.01 0.00 0.00 175.02 177.02 1ujt s TYR 52 N 0.03 0.19 -0.06 -0.03 1.13 -1.06 -2.38 117.35 115.17 1ujt s TYR 52 Ca 0.34 -0.52 -0.31 0.00 -1.41 0.00 0.00 57.07 55.16 1ujt s TYR 52 Cb -0.19 -0.13 0.12 0.00 -1.10 0.00 0.00 41.96 40.66 1ujt s TYR 52 CO 0.19 -0.41 1.15 -0.98 -2.51 0.00 0.00 175.55 172.98 1ujt s ARG 53 N -2.94 0.54 0.64 -3.49 1.70 -1.06 -1.17 118.95 113.16 1ujt s ARG 53 Ca -0.02 -0.25 -0.12 0.00 -0.47 0.00 0.00 55.73 54.87 1ujt s ARG 53 Cb 0.01 0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 1ujt s ARG 53 CO -0.06 -0.24 1.04 -1.14 -1.08 0.00 0.00 175.30 173.82 1ujt s GLN 54 N -2.65 3.34 0.00 3.89 0.74 -1.26 -1.88 119.66 121.83 1ujt s GLN 54 Ca 0.10 0.89 0.00 0.00 0.05 0.00 0.00 55.36 56.41 1ujt s GLN 54 Cb 0.01 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 32.07 1ujt s GLN 54 CO -0.04 -0.78 0.00 0.25 -0.55 0.00 0.00 175.29 174.17 1ujt n THR 55 N -2.74 0.00 -0.12 -0.34 -2.24 -1.16 -2.57 114.28 105.12 1ujt n THR 55 Ca 0.07 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1ujt n THR 55 Cb 0.54 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 1ujt n THR 55 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ujt n SER 56 N -1.25 1.98 -3.02 3.42 2.88 -1.26 -4.79 113.62 111.59 1ujt n SER 56 Ca 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1ujt n SER 56 Cb 0.19 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1ujt n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujt n GLY 57 N 1.97 -2.61 0.13 0.46 0.00 -1.26 -4.83 105.19 99.04 1ujt n GLY 57 Ca -0.44 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 1ujt n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ujt h LEU 58 N 0.00 0.62 0.00 0.99 7.12 -1.98 -3.18 115.31 118.87 1ujt h LEU 58 Ca 0.00 -0.90 0.00 0.00 0.13 0.00 0.00 57.88 57.11 1ujt h LEU 58 Cb 0.00 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 39.93 1ujt h LEU 58 CO 0.00 1.46 0.00 0.00 -0.13 0.00 0.00 178.44 179.77 1ujt n GLN 59 N -4.01 0.05 -1.44 1.25 1.13 -1.26 -4.77 117.38 108.33 1ujt n GLN 59 Ca -0.14 0.29 -0.42 0.00 -1.94 0.00 0.00 57.00 54.79 1ujt n GLN 59 Cb 0.88 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.74 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ujt n ALA 60 N -1.35 -1.59 -3.01 -1.58 0.00 -1.21 -0.65 120.51 111.11 1ujt n ALA 60 Ca 0.02 0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1ujt n ALA 60 Cb 0.05 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 1ujt n ALA 60 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ujt n THR 61 N -0.90 0.00 -0.13 0.00 5.66 -1.06 -4.69 114.28 113.16 1ujt n THR 61 Ca 0.11 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.87 1ujt n THR 61 Cb 0.40 -0.22 -0.10 0.00 -1.55 0.00 0.00 70.33 68.85 1ujt n THR 61 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ujt n SER 62 N -1.34 1.94 -3.33 1.09 2.88 0.17 -5.00 113.62 110.02 1ujt n SER 62 Ca 0.05 0.16 0.02 0.00 -1.33 0.00 0.00 58.87 57.78 1ujt n SER 62 Cb 0.33 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 1ujt n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujt s SER 63 N -7.04 -1.02 0.47 -3.46 0.01 -1.25 -5.15 113.70 96.25 1ujt s SER 63 Ca -0.36 0.96 -0.23 0.00 1.31 0.00 0.00 55.95 57.63 1ujt s SER 63 Cb 0.12 1.98 -0.07 0.00 0.21 0.00 0.00 66.02 68.26 1ujt s SER 63 CO 0.50 -0.19 1.20 0.26 0.41 0.00 0.00 173.24 175.42 1ujt s TRP 64 N 2.81 2.80 0.32 2.43 0.52 -1.26 -4.87 118.94 121.69 1ujt s TRP 64 Ca 0.06 1.51 0.08 0.00 0.02 0.00 0.00 56.10 57.77 1ujt s TRP 64 Cb -0.12 -3.44 -0.04 0.00 -1.15 0.00 0.00 33.47 28.72 1ujt s TRP 64 CO -0.18 -1.70 0.14 -0.65 0.02 0.00 0.00 176.95 174.57 1ujt s GLN 65 N -2.70 2.42 -0.07 4.98 -0.21 -0.32 -4.98 119.66 118.79 1ujt s GLN 65 Ca 0.64 -1.48 -0.03 0.00 0.02 0.00 0.00 55.36 54.51 1ujt s GLN 65 Cb -0.31 -2.22 0.04 0.00 1.00 0.00 0.00 33.01 31.52 1ujt s GLN 65 CO 0.37 0.16 0.16 -0.80 -2.12 0.00 0.00 175.29 173.06 1ujt s ASN 66 N -3.84 -0.13 -0.44 5.90 -0.87 -1.26 -2.55 114.94 111.76 1ujt s ASN 66 Ca 0.37 0.33 0.03 0.00 -1.57 0.00 0.00 52.86 52.01 1ujt s ASN 66 Cb -0.04 0.22 0.12 0.00 -0.02 0.00 0.00 41.25 41.53 1ujt s ASN 66 CO 0.23 -0.15 0.18 -0.22 -2.57 0.00 0.00 177.10 174.56 1ujt s LEU 67 N 1.17 4.70 -0.43 0.60 2.96 -0.85 -4.96 118.68 121.87 1ujt s LEU 67 Ca -0.09 -2.52 -0.28 0.00 -0.22 0.00 0.00 54.13 51.03 1ujt s LEU 67 Cb -0.11 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1ujt s LEU 67 CO -0.06 -0.34 1.81 1.51 -1.32 0.00 0.00 176.35 177.94 1ujt s ASP 68 N 0.55 5.69 0.30 3.68 1.47 -1.26 -2.99 116.67 124.11 1ujt s ASP 68 Ca 0.13 0.96 -0.02 0.00 1.18 0.00 0.00 52.55 54.80 1ujt s ASP 68 Cb -0.22 -2.53 0.44 0.00 -0.34 0.00 0.00 42.92 40.28 1ujt s ASP 68 CO -0.04 -1.93 1.96 0.00 0.68 0.00 0.00 175.17 175.83 1ujt h ALA 69 N 13.55 1.39 -2.95 2.11 0.00 -1.72 -3.46 119.26 128.18 1ujt h ALA 69 Ca -0.30 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.16 1ujt h ALA 69 Cb 1.16 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ujt h ALA 69 CO 1.10 0.54 -0.50 1.63 0.00 0.00 0.00 179.25 182.03 1ujt n LYS 70 N -4.40 -2.06 -3.25 0.00 4.76 -1.26 -4.95 118.16 107.00 1ujt n LYS 70 Ca 0.09 0.90 -0.03 0.00 -2.87 0.00 0.00 58.31 56.40 1ujt n LYS 70 Cb 0.04 -5.47 -0.04 0.00 -1.84 0.00 0.00 35.03 27.72 1ujt n LYS 70 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ujt s VAL 71 N -2.98 -0.80 -2.00 -0.18 1.01 -1.26 -4.95 120.40 109.25 1ujt s VAL 71 Ca 0.05 -0.06 0.13 0.00 0.00 0.00 0.00 61.98 62.10 1ujt s VAL 71 Cb -0.02 -0.92 0.37 0.00 0.00 0.00 0.00 36.38 35.81 1ujt s VAL 71 CO 0.06 -0.08 1.20 -0.81 0.00 0.00 0.00 175.10 175.48 1ujt n PRO 72 N 5.39 0.49 0.00 2.72 -0.04 -1.24 -1.78 135.00 140.54 1ujt n PRO 72 Ca -0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1ujt n PRO 72 Cb 0.51 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1ujt n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujt n THR 73 N -0.92 0.00 -3.26 0.52 -2.24 -1.26 -4.87 114.28 102.25 1ujt n THR 73 Ca 0.10 -0.38 -0.46 0.00 -2.27 0.00 0.00 64.05 61.03 1ujt n THR 73 Cb 0.04 1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 1ujt n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ujt s GLU 74 N -1.40 3.26 -0.10 -0.78 2.02 -0.73 -4.88 118.70 116.07 1ujt s GLU 74 Ca 0.08 -1.92 0.05 0.00 0.02 0.00 0.00 54.97 53.20 1ujt s GLU 74 Cb 0.08 -4.38 0.33 0.00 0.10 0.00 0.00 34.13 30.26 1ujt s GLU 74 CO 0.26 -1.38 1.04 0.54 0.02 0.00 0.00 175.26 175.75 1ujt n ARG 75 N 5.04 2.49 -3.69 1.61 5.12 -1.26 -4.76 116.66 121.21 1ujt n ARG 75 Ca -0.01 -1.27 -0.10 0.00 -1.93 0.00 0.00 57.85 54.54 1ujt n ARG 75 Cb 0.43 -1.78 -0.11 0.00 -1.16 0.00 0.00 32.46 29.85 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ujt s SER 76 N -0.28 -0.42 0.19 0.55 1.04 -1.26 -1.96 113.70 111.57 1ujt s SER 76 Ca 0.22 0.90 0.11 0.00 0.48 0.00 0.00 55.95 57.67 1ujt s SER 76 Cb 0.17 0.91 -0.04 0.00 0.10 0.00 0.00 66.02 67.15 1ujt s SER 76 CO 0.06 -0.20 -0.24 0.00 0.98 0.00 0.00 173.24 173.84 1ujt s ALA 77 N 1.74 2.54 -0.21 5.32 0.00 -0.33 -4.96 121.76 125.86 1ujt s ALA 77 Ca -0.07 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.28 1ujt s ALA 77 Cb -0.09 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1ujt s ALA 77 CO -0.13 0.44 -0.15 0.08 0.00 0.00 0.00 175.76 176.00 1ujt s VAL 78 N -1.62 2.27 -0.38 0.00 1.01 -1.26 -0.41 120.40 120.00 1ujt s VAL 78 Ca 0.20 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 1ujt s VAL 78 Cb -0.08 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1ujt s VAL 78 CO 0.10 0.37 0.57 -0.76 0.00 0.00 0.00 175.10 175.37 1ujt s LEU 79 N 1.27 4.43 0.62 3.92 1.43 -0.78 -4.96 118.68 124.60 1ujt s LEU 79 Ca 0.01 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1ujt s LEU 79 Cb -0.15 -2.65 0.10 0.00 0.03 0.00 0.00 46.19 43.53 1ujt s LEU 79 CO -0.10 -0.60 0.85 0.68 0.23 0.00 0.00 176.35 177.42 1ujt s VAL 80 N 2.56 2.07 -1.25 -1.59 -7.23 -1.26 -2.06 120.40 111.63 1ujt s VAL 80 Ca 0.20 -0.92 -0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1ujt s VAL 80 Cb -0.15 -2.15 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 1ujt s VAL 80 CO 0.15 0.00 0.79 0.59 -0.31 0.00 0.00 175.10 176.33 1ujt n ASN 81 N -2.40 -1.92 -4.72 4.85 5.03 -1.05 -4.94 115.26 110.10 1ujt n ASN 81 Ca 0.16 -0.77 -0.31 0.00 0.87 0.00 0.00 54.58 54.53 1ujt n ASN 81 Cb 0.62 -4.37 -0.08 0.00 -1.02 0.00 0.00 39.78 34.93 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ujt s LEU 82 N -6.50 3.63 0.49 3.41 1.43 -1.12 -5.05 118.68 114.97 1ujt s LEU 82 Ca 0.05 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 1ujt s LEU 82 Cb -0.01 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 1ujt s LEU 82 CO 0.79 0.21 1.07 -0.75 0.23 0.00 0.00 176.35 177.90 1ujt s LYS 83 N -2.10 3.72 -0.11 1.70 2.20 -1.26 -4.14 119.74 119.74 1ujt s LYS 83 Ca 0.25 1.48 -0.12 0.00 -0.36 0.00 0.00 55.97 57.21 1ujt s LYS 83 Cb -0.12 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 34.01 1ujt s LYS 83 CO 0.17 -0.52 0.28 -1.59 -0.36 0.00 0.00 175.35 173.33 1ujt s LYS 84 N -3.12 3.98 -0.20 4.03 -2.85 -1.19 -4.47 119.74 115.91 1ujt s LYS 84 Ca 0.67 0.11 -0.00 0.00 -1.00 0.00 0.00 55.97 55.75 1ujt s LYS 84 Cb -0.20 -3.32 -0.01 0.00 -2.06 0.00 0.00 37.83 32.25 1ujt s LYS 84 CO 0.24 0.48 0.17 0.41 0.10 0.00 0.00 175.35 176.75 1ujt n GLY 85 N 2.68 0.40 3.63 0.59 0.00 0.24 -4.90 105.19 107.84 1ujt n GLY 85 Ca -0.14 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1ujt n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujt s VAL 86 N -3.07 0.00 0.40 1.61 0.11 -1.17 -4.96 120.40 113.33 1ujt s VAL 86 Ca 0.04 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.85 1ujt s VAL 86 Cb -0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 1ujt s VAL 86 CO 0.13 0.00 1.07 -0.89 -3.33 0.00 0.00 175.10 172.08 1ujt s THR 87 N 0.06 3.63 -0.06 5.04 2.01 -1.26 -2.67 115.64 122.39 1ujt s THR 87 Ca 0.03 1.25 -0.01 0.00 0.31 0.00 0.00 61.69 63.27 1ujt s THR 87 Cb -0.04 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1ujt s THR 87 CO -0.06 0.01 0.01 -0.31 -0.69 0.00 0.00 174.62 173.59 1ujt s TYR 88 N -1.63 0.51 -0.15 4.92 2.02 0.13 -2.98 117.35 120.18 1ujt s TYR 88 Ca 0.58 -0.07 -0.22 0.00 -0.37 0.00 0.00 57.07 56.99 1ujt s TYR 88 Cb -0.23 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.63 1ujt s TYR 88 CO 0.29 -0.26 0.69 -2.00 -1.57 0.00 0.00 175.55 172.69 1ujt s GLU 89 N 1.79 4.30 0.03 -0.62 2.12 -0.79 -0.28 118.70 125.25 1ujt s GLU 89 Ca 0.02 0.77 0.03 0.00 0.36 0.00 0.00 54.97 56.14 1ujt s GLU 89 Cb -0.13 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 1ujt s GLU 89 CO -0.04 -0.15 -0.08 0.42 -0.54 0.00 0.00 175.26 174.87 1ujt s ILE 90 N 1.57 0.61 -0.08 -3.70 1.01 -0.60 -2.56 121.20 117.44 1ujt s ILE 90 Ca 0.33 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 1ujt s ILE 90 Cb -0.16 -0.61 0.03 0.00 0.01 0.00 0.00 42.46 41.73 1ujt s ILE 90 CO 0.13 -0.17 0.20 -1.59 0.00 0.00 0.00 174.94 173.51 1ujt s LYS 91 N -1.08 0.20 -0.10 2.79 0.00 -1.00 -0.86 119.74 119.68 1ujt s LYS 91 Ca -0.04 0.37 -0.14 0.00 0.00 0.00 0.00 55.97 56.15 1ujt s LYS 91 Cb -0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 37.83 37.70 1ujt s LYS 91 CO 0.00 -0.09 0.34 0.08 0.00 0.00 0.00 175.35 175.69 1ujt s VAL 92 N 0.65 5.22 -0.15 1.79 1.01 -1.26 -3.10 120.40 124.57 1ujt s VAL 92 Ca -0.04 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.51 1ujt s VAL 92 Cb -0.06 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1ujt s VAL 92 CO -0.04 0.45 0.37 0.00 0.00 0.00 0.00 175.10 175.88 1ujt s ARG 93 N -0.07 0.38 0.94 2.72 1.70 -1.22 -1.39 118.95 122.00 1ujt s ARG 93 Ca 0.20 0.63 -0.12 0.00 -0.47 0.00 0.00 55.73 55.98 1ujt s ARG 93 Cb -0.14 0.06 0.15 0.00 -0.57 0.00 0.00 34.95 34.45 1ujt s ARG 93 CO 0.08 -0.11 1.09 -1.25 -1.08 0.00 0.00 175.30 174.02 1ujt s PRO 94 N 0.88 0.92 -0.29 3.89 0.04 -1.26 -1.77 135.00 137.42 1ujt s PRO 94 Ca -0.06 0.71 -0.25 0.00 0.04 0.00 0.00 61.00 61.44 1ujt s PRO 94 Cb -0.06 -1.78 0.14 0.00 0.04 0.00 0.00 34.50 32.84 1ujt s PRO 94 CO -0.07 -2.44 1.16 1.52 0.04 0.00 0.00 177.00 177.21 1ujt s TYR 95 N -2.94 -0.35 0.00 0.56 -0.85 -1.24 -0.75 117.35 111.78 1ujt s TYR 95 Ca 0.64 0.85 0.00 0.00 -0.52 0.00 0.00 57.07 58.04 1ujt s TYR 95 Cb -0.18 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.56 1ujt s TYR 95 CO 0.57 -0.17 0.00 0.34 -1.52 0.00 0.00 175.55 174.77 1ujt n PHE 96 N 2.04 0.00 0.00 -3.49 7.35 -1.23 -2.56 117.46 119.58 1ujt n PHE 96 Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1ujt n PHE 96 Cb 0.56 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1ujt n PHE 96 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1ujt n ASN 97 N -1.84 0.00 -0.04 -2.13 5.03 -1.26 -4.16 115.26 110.85 1ujt n ASN 97 Ca 0.00 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.37 1ujt n ASN 97 Cb 0.00 -0.21 -0.03 0.00 -1.02 0.00 0.00 39.78 38.52 1ujt n ASN 97 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1ujt n GLU 98 N -2.13 0.18 -0.83 3.52 4.07 -1.26 -5.05 120.64 119.14 1ujt n GLU 98 Ca 0.00 0.07 -0.29 0.00 -0.06 0.00 0.00 57.16 56.88 1ujt n GLU 98 Cb 0.00 -0.89 0.19 0.00 -0.06 0.00 0.00 31.44 30.68 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1ujt s PHE 99 N -2.16 1.77 -0.12 4.31 -0.71 -1.26 -5.06 117.98 114.76 1ujt s PHE 99 Ca -0.12 1.33 -0.04 0.00 -1.04 0.00 0.00 56.93 57.06 1ujt s PHE 99 Cb 0.04 -3.18 0.06 0.00 -1.21 0.00 0.00 43.02 38.73 1ujt s PHE 99 CO 0.16 -3.11 0.23 1.14 -1.34 0.00 0.00 175.22 172.30 1ujt s GLN 100 N -4.69 0.11 0.99 1.99 0.00 -1.26 -3.48 119.66 113.32 1ujt s GLN 100 Ca 0.66 0.67 -0.19 0.00 -0.00 0.00 0.00 55.36 56.50 1ujt s GLN 100 Cb -0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 33.01 32.62 1ujt s GLN 100 CO 0.60 -0.31 -0.56 0.41 0.00 0.00 0.00 175.29 175.43 1ujt n GLY 101 N 5.34 -2.53 3.62 2.60 0.00 0.07 -4.79 105.19 109.51 1ujt n GLY 101 Ca -0.06 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1ujt n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ujt n MET 102 N 0.21 1.55 -3.01 1.61 0.00 -1.26 -4.49 117.12 111.74 1ujt n MET 102 Ca 0.00 0.55 -0.35 0.00 0.00 0.00 0.00 57.70 57.90 1ujt n MET 102 Cb 0.56 -2.02 -0.06 0.00 0.00 0.00 0.00 33.22 31.70 1ujt n MET 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1ujt s ASP 103 N -0.54 7.07 0.86 7.83 1.47 -1.26 -4.52 116.67 127.58 1ujt s ASP 103 Ca 0.59 1.52 -0.12 0.00 1.18 0.00 0.00 52.55 55.72 1ujt s ASP 103 Cb -0.63 -2.46 0.11 0.00 -0.34 0.00 0.00 42.92 39.60 1ujt s ASP 103 CO 0.60 -0.07 1.13 -0.94 0.68 0.00 0.00 175.17 176.57 1ujt s SER 104 N -1.79 3.94 -0.47 2.11 1.04 -0.48 -4.89 113.70 113.15 1ujt s SER 104 Ca 0.48 1.04 -0.27 0.00 0.48 0.00 0.00 55.95 57.69 1ujt s SER 104 Cb -0.15 -1.66 -0.08 0.00 0.10 0.00 0.00 66.02 64.23 1ujt s SER 104 CO 0.20 -2.29 2.40 -0.62 0.98 0.00 0.00 173.24 173.91 1ujt n GLU 105 N -3.60 1.13 -1.68 4.02 1.02 -1.26 -4.66 120.64 115.61 1ujt n GLU 105 Ca 0.07 0.09 -0.57 0.00 -0.02 0.00 0.00 57.16 56.73 1ujt n GLU 105 Cb 0.59 -3.27 -0.07 0.00 -0.02 0.00 0.00 31.44 28.67 1ujt n GLU 105 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ujt n SER 106 N 14.74 2.06 -4.53 1.62 3.41 -1.26 -4.89 113.62 124.76 1ujt n SER 106 Ca 0.38 1.10 -0.34 0.00 -0.26 0.00 0.00 58.87 59.75 1ujt n SER 106 Cb 0.49 -1.12 -0.12 0.00 -0.26 0.00 0.00 64.21 63.20 1ujt n SER 106 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ujt s LYS 107 N 2.73 3.39 -0.17 4.33 -0.14 -0.04 -4.89 119.74 124.95 1ujt s LYS 107 Ca 0.96 -0.52 -0.18 0.00 -1.36 0.00 0.00 55.97 54.86 1ujt s LYS 107 Cb -1.09 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 32.21 1ujt s LYS 107 CO 0.63 0.38 0.51 0.95 -0.76 0.00 0.00 175.35 177.06 1ujt s THR 108 N -0.03 5.13 -0.17 2.17 -4.23 -1.26 -1.56 115.64 115.69 1ujt s THR 108 Ca 0.01 0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 61.44 1ujt s THR 108 Cb -0.13 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 1ujt s THR 108 CO 0.03 0.22 -0.02 0.54 -0.54 0.00 0.00 174.62 174.85 1ujt s VAL 109 N 1.31 3.92 -0.50 2.29 0.11 0.62 -4.86 120.40 123.29 1ujt s VAL 109 Ca 0.25 -0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 58.79 1ujt s VAL 109 Cb -0.15 -2.74 0.09 0.00 -1.53 0.00 0.00 36.38 32.04 1ujt s VAL 109 CO 0.10 0.47 0.49 -0.60 -3.33 0.00 0.00 175.10 172.22 1ujt s ARG 110 N 0.62 3.01 -0.56 1.54 3.52 -1.26 0.21 118.95 126.03 1ujt s ARG 110 Ca -0.02 -1.35 -0.28 0.00 -0.13 0.00 0.00 55.73 53.96 1ujt s ARG 110 Cb -0.14 -4.18 0.01 0.00 -1.56 0.00 0.00 34.95 29.08 1ujt s ARG 110 CO 0.02 -1.18 1.45 0.95 -0.81 0.00 0.00 175.30 175.73 1ujt s THR 111 N 1.90 3.75 1.05 4.11 -4.23 -1.09 -4.93 115.64 116.20 1ujt s THR 111 Ca 0.06 0.64 -0.24 0.00 -1.18 0.00 0.00 61.69 60.97 1ujt s THR 111 Cb -0.25 -4.40 -0.08 0.00 1.34 0.00 0.00 72.50 69.12 1ujt s THR 111 CO 0.07 -1.14 -0.92 1.07 -0.54 0.00 0.00 174.62 173.15 1ujt n THR 112 N 6.88 0.00 -0.11 3.99 5.66 -1.26 0.82 114.28 130.26 1ujt n THR 112 Ca 0.13 -0.13 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1ujt n THR 112 Cb 0.49 -0.24 -0.12 0.00 -1.55 0.00 0.00 70.33 68.91 1ujt n THR 112 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ujt n GLU 113 N 0.66 0.65 -3.12 1.09 1.02 -1.26 -2.18 120.64 117.50 1ujt n GLU 113 Ca -0.01 0.20 -0.40 0.00 -0.02 0.00 0.00 57.16 56.92 1ujt n GLU 113 Cb 0.70 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.51 1ujt n GLU 113 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1ujt s GLU 114 N -2.52 4.14 0.17 3.49 -1.05 -1.26 -4.85 118.70 116.81 1ujt s GLU 114 Ca -0.34 0.55 -0.31 0.00 -0.15 0.00 0.00 54.97 54.73 1ujt s GLU 114 Cb 0.09 -3.63 -0.09 0.00 -0.44 0.00 0.00 34.13 30.07 1ujt s GLU 114 CO 0.61 -0.35 1.41 -1.12 0.95 0.00 0.00 175.26 176.76 1ujt s SER 115 N 1.38 6.77 0.75 0.83 0.01 -1.26 -4.98 113.70 117.21 1ujt s SER 115 Ca 0.27 2.45 -0.01 0.00 1.31 0.00 0.00 55.95 59.97 1ujt s SER 115 Cb -0.16 -2.60 0.15 0.00 0.21 0.00 0.00 66.02 63.62 1ujt s SER 115 CO 0.09 -0.66 1.01 0.61 0.41 0.00 0.00 173.24 174.70 1ujt n GLY 116 N 3.06 0.50 3.56 3.44 0.00 -1.26 -4.98 105.19 109.50 1ujt n GLY 116 Ca 0.10 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 1ujt n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujt s PRO 117 N -5.13 2.57 0.07 1.61 0.04 -1.26 -4.96 135.00 127.94 1ujt s PRO 117 Ca 0.66 -0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.66 1ujt s PRO 117 Cb -0.04 -4.89 -0.04 0.00 0.04 0.00 0.00 34.50 29.57 1ujt s PRO 117 CO 0.44 -3.22 0.08 0.45 0.04 0.00 0.00 177.00 174.79 1ujt s SER 118 N 8.06 5.53 -0.04 6.66 0.15 -1.26 -5.12 113.70 127.68 1ujt s SER 118 Ca 0.69 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 1ujt s SER 118 Cb -0.08 -1.50 0.03 0.00 -1.71 0.00 0.00 66.02 62.77 1ujt s SER 118 CO 0.05 0.19 0.08 -0.94 1.20 0.00 0.00 173.24 173.82 1ujt s SER 119 N -2.28 0.30 0.00 5.45 1.04 -1.26 -5.26 113.70 111.70 1ujt s SER 119 Ca 0.28 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1ujt s SER 119 Cb -0.12 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1ujt s SER 119 CO 0.21 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.86