#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujt n SER 2 N 0.00 1.03 -4.88 1.61 3.41 -1.26 -5.07 113.62 108.46 1ujt n SER 2 Ca 0.00 0.15 -0.32 0.00 -0.26 0.00 0.00 58.87 58.44 1ujt n SER 2 Cb 0.00 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 1ujt n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ujt s SER 3 N -5.93 6.57 0.00 4.04 0.01 -1.26 -5.06 113.70 112.08 1ujt s SER 3 Ca 0.00 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1ujt s SER 3 Cb 0.00 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1ujt s SER 3 CO 0.00 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1ujt n GLY 4 N 0.14 4.08 2.27 3.44 0.00 -1.26 -5.01 105.19 108.85 1ujt n GLY 4 Ca -0.02 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1ujt n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujt n SER 5 N 0.00 6.96 -0.29 1.61 7.64 -1.26 -4.81 113.62 123.48 1ujt n SER 5 Ca 0.00 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.10 1ujt n SER 5 Cb 0.00 -0.81 0.04 0.00 -1.01 0.00 0.00 64.21 62.43 1ujt n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujt n SER 6 N -0.85 -0.46 0.00 6.43 2.88 -1.26 -4.84 113.62 115.52 1ujt n SER 6 Ca 0.58 1.33 0.00 0.00 -1.33 0.00 0.00 58.87 59.45 1ujt n SER 6 Cb 0.73 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1ujt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujt n GLY 7 N -1.38 0.76 0.09 0.46 0.00 -1.26 -5.07 105.19 98.79 1ujt n GLY 7 Ca 0.08 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 1ujt n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ujt n ARG 8 N 0.00 0.80 0.00 1.61 1.85 -1.26 -4.38 116.66 115.28 1ujt n ARG 8 Ca 0.00 0.08 0.15 0.00 -1.00 0.00 0.00 57.85 57.08 1ujt n ARG 8 Cb 0.00 -1.40 0.87 0.00 -1.05 0.00 0.00 32.46 30.88 1ujt n ARG 8 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ujt n GLN 9 N -2.92 0.80 0.14 2.89 10.64 -1.26 -4.08 117.38 123.59 1ujt n GLN 9 Ca -0.32 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 54.78 1ujt n GLN 9 Cb 0.92 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.76 1ujt n GLN 9 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1ujt h VAL 10 N 0.00 0.00 -0.14 -0.39 2.07 -1.99 0.05 116.25 115.85 1ujt h VAL 10 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1ujt h VAL 10 Cb 0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1ujt h VAL 10 CO 0.00 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.64 1ujt n GLN 11 N -3.40 1.46 -0.01 1.57 6.02 -1.26 -2.19 117.38 119.57 1ujt n GLN 11 Ca -0.05 -0.54 -0.02 0.00 -0.01 0.00 0.00 57.00 56.39 1ujt n GLN 11 Cb 0.18 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 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 0.16 0.06 -0.12 -1.09 3.00 -0.95 -4.83 118.16 114.38 1ujt n LYS 12 Ca 0.08 0.01 -0.18 0.00 -0.00 0.00 0.00 58.31 58.22 1ujt n LYS 12 Cb 0.55 -1.02 -0.12 0.00 0.00 0.00 0.00 35.03 34.44 1ujt n LYS 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ujt n GLU 13 N -2.60 0.66 -0.19 1.64 4.07 -0.04 -4.21 120.64 119.96 1ujt n GLU 13 Ca -0.04 0.15 -0.05 0.00 -0.06 0.00 0.00 57.16 57.16 1ujt n GLU 13 Cb 0.54 -1.53 -0.05 0.00 -0.06 0.00 0.00 31.44 30.35 1ujt n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ujt n LEU 14 N -3.25 -0.48 -0.13 4.31 7.94 -0.93 -0.14 117.00 124.31 1ujt n LEU 14 Ca -0.45 1.13 -0.08 0.00 -1.11 0.00 0.00 56.01 55.50 1ujt n LEU 14 Cb 1.00 -0.27 0.01 0.00 0.53 0.00 0.00 43.42 44.69 1ujt n LEU 14 CO 0.27 -0.82 1.04 1.23 -1.11 0.00 0.00 177.39 178.01 1ujt h GLY 15 N 0.00 0.58 -0.09 -3.96 0.00 -1.81 -2.77 103.07 95.01 1ujt h GLY 15 Ca 0.07 -0.21 0.14 0.00 0.00 0.00 0.00 47.33 47.34 1ujt h GLY 15 CO -0.42 0.20 0.07 -0.55 0.00 0.00 0.00 176.54 175.83 1ujt h ASP 16 N 0.54 -0.18 -2.08 0.19 3.32 -0.71 -3.41 116.42 114.10 1ujt h ASP 16 Ca 0.15 0.15 -0.62 0.00 0.02 0.00 0.00 57.03 56.74 1ujt h ASP 16 Cb -0.05 0.25 0.05 0.00 0.22 0.00 0.00 39.33 39.80 1ujt h ASP 16 CO -0.04 -0.09 0.73 0.52 -1.72 0.00 0.00 179.24 178.64 1ujt n VAL 17 N -5.24 0.06 -3.92 -1.35 0.31 0.56 -4.94 118.33 103.80 1ujt n VAL 17 Ca 0.11 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.14 1ujt n VAL 17 Cb 0.40 -1.37 -0.13 0.00 -0.91 0.00 0.00 33.84 31.83 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 1.12 4.44 0.21 7.52 0.20 -1.26 -4.67 118.68 126.23 1ujt s LEU 18 Ca 0.82 -3.32 -0.32 0.00 0.69 0.00 0.00 54.13 51.99 1ujt s LEU 18 Cb -0.76 -1.61 -0.13 0.00 -0.43 0.00 0.00 46.19 43.25 1ujt s LEU 18 CO 0.42 -0.18 1.52 0.52 -0.29 0.00 0.00 176.35 178.35 1ujt n VAL 19 N 2.69 0.45 -3.72 1.68 0.31 -1.26 -4.42 118.33 114.07 1ujt n VAL 19 Ca 0.11 -0.11 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1ujt n VAL 19 Cb 0.33 -1.58 -0.11 0.00 -0.91 0.00 0.00 33.84 31.57 1ujt n VAL 19 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ujt s ARG 20 N 0.30 2.41 -0.58 5.55 0.52 0.12 -4.54 118.95 122.73 1ujt s ARG 20 Ca 0.73 -1.49 -0.22 0.00 -0.52 0.00 0.00 55.73 54.22 1ujt s ARG 20 Cb -0.64 -3.59 0.06 0.00 0.52 0.00 0.00 34.95 31.29 1ujt s ARG 20 CO 0.43 -0.90 0.87 -1.17 0.02 0.00 0.00 175.30 174.55 1ujt s LEU 21 N 1.32 4.44 0.00 2.53 2.96 -1.26 -0.86 118.68 127.80 1ujt s LEU 21 Ca 0.03 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 1ujt s LEU 21 Cb -0.22 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1ujt s LEU 21 CO -0.00 -1.22 0.71 1.41 -1.32 0.00 0.00 176.35 175.93 1ujt n HIS 22 N 7.22 0.00 -3.60 5.38 8.25 -1.18 -4.87 115.22 126.41 1ujt n HIS 22 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1ujt n HIS 22 Cb 0.46 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 1ujt n HIS 22 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1ujt s ASN 23 N -2.00 -0.23 -1.19 0.41 -0.87 -1.26 -5.06 114.94 104.73 1ujt s ASN 23 Ca 0.00 0.37 -0.23 0.00 -1.57 0.00 0.00 52.86 51.43 1ujt s ASN 23 Cb 0.00 1.12 -0.09 0.00 -0.02 0.00 0.00 41.25 42.26 1ujt s ASN 23 CO 0.00 -0.06 1.93 -0.81 -2.57 0.00 0.00 177.10 175.60 1ujt n PRO 24 N 3.49 1.61 -1.61 -0.60 -0.04 -1.26 -4.49 135.00 132.09 1ujt n PRO 24 Ca -0.16 -2.47 -0.54 0.00 -0.04 0.00 0.00 63.50 60.28 1ujt n PRO 24 Cb 0.56 -3.73 -0.07 0.00 -0.04 0.00 0.00 33.50 30.23 1ujt n PRO 24 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ujt n VAL 25 N 7.79 0.06 -3.03 0.52 0.31 -1.10 -4.63 118.33 118.25 1ujt n VAL 25 Ca 0.45 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 64.33 1ujt n VAL 25 Cb 0.46 -0.80 -0.05 0.00 -0.91 0.00 0.00 33.84 32.55 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 1.11 4.67 -0.02 2.52 0.11 -1.26 -1.23 120.40 126.30 1ujt s VAL 26 Ca 0.89 -0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 59.07 1ujt s VAL 26 Cb -1.03 -4.51 -0.30 0.00 -1.53 0.00 0.00 36.38 29.01 1ujt s VAL 26 CO 0.53 -1.16 0.97 -0.07 -3.33 0.00 0.00 175.10 172.04 1ujt h LEU 27 N 10.36 0.55 -7.91 2.54 3.38 -1.90 -3.48 115.31 118.85 1ujt h LEU 27 Ca -0.29 -0.89 -0.10 0.00 0.09 0.00 0.00 57.88 56.69 1ujt h LEU 27 Cb 1.08 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.51 1ujt h LEU 27 CO 1.10 1.40 -0.46 0.42 0.09 0.00 0.00 178.44 180.98 1ujt s THR 28 N -2.69 0.16 -2.00 0.22 -4.23 -0.83 -4.95 115.64 101.31 1ujt s THR 28 Ca -0.13 -1.29 0.12 0.00 -1.18 0.00 0.00 61.69 59.22 1ujt s THR 28 Cb 0.02 -1.28 0.35 0.00 1.34 0.00 0.00 72.50 72.93 1ujt s THR 28 CO 0.85 -0.71 1.16 -0.81 -0.54 0.00 0.00 174.62 174.56 1ujt n PRO 29 N 0.15 0.49 0.00 3.99 -0.04 -1.26 -2.24 135.00 136.09 1ujt n PRO 29 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ujt n PRO 29 Cb 0.61 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.89 0.00 -3.91 0.52 -2.24 -1.26 -3.08 114.28 103.42 1ujt n THR 30 Ca 0.09 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1ujt n THR 30 Cb 0.04 0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.74 0.05 -0.04 4.28 2.01 -0.95 -1.33 115.64 117.92 1ujt s THR 31 Ca 0.00 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1ujt s THR 31 Cb 0.00 -0.06 0.01 0.00 0.01 0.00 0.00 72.50 72.46 1ujt s THR 31 CO 0.00 0.02 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.14 1ujt s VAL 32 N 0.01 1.01 0.36 3.82 1.01 -0.69 -1.96 120.40 123.95 1ujt s VAL 32 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1ujt s VAL 32 Cb -0.01 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 1ujt s VAL 32 CO -0.00 0.31 0.72 -1.58 0.00 0.00 0.00 175.10 174.55 1ujt s GLN 33 N 0.36 3.80 -0.03 2.72 -0.44 -0.37 -1.39 119.66 124.32 1ujt s GLN 33 Ca -0.08 0.43 0.01 0.00 -2.50 0.00 0.00 55.36 53.23 1ujt s GLN 33 Cb -0.12 -2.45 0.01 0.00 -1.64 0.00 0.00 33.01 28.81 1ujt s GLN 33 CO 0.02 0.06 -0.05 0.08 0.50 0.00 0.00 175.29 175.90 1ujt s VAL 34 N -2.21 0.50 -0.01 1.34 1.01 -0.19 -2.70 120.40 118.13 1ujt s VAL 34 Ca 0.50 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1ujt s VAL 34 Cb -0.10 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1ujt s VAL 34 CO 0.28 0.19 -0.05 -0.89 0.00 0.00 0.00 175.10 174.62 1ujt s THR 35 N 0.49 0.46 0.02 3.92 2.01 -1.26 -2.11 115.64 119.16 1ujt s THR 35 Ca -0.06 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.64 1ujt s THR 35 Cb -0.10 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1ujt s THR 35 CO -0.00 0.15 0.19 -1.66 -0.69 0.00 0.00 174.62 172.61 1ujt s TRP 36 N 0.15 0.01 0.00 4.92 -2.14 -0.87 -3.11 118.94 117.91 1ujt s TRP 36 Ca -0.01 -0.14 0.07 0.00 2.66 0.00 0.00 56.10 58.67 1ujt s TRP 36 Cb -0.06 -0.02 -0.02 0.00 -3.10 0.00 0.00 33.47 30.28 1ujt s TRP 36 CO -0.00 -0.37 -0.21 0.95 -2.66 0.00 0.00 176.95 174.66 1ujt s THR 37 N -1.96 1.63 -0.02 0.66 -4.23 -0.04 -4.77 115.64 106.90 1ujt s THR 37 Ca -0.10 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1ujt s THR 37 Cb -0.04 -1.37 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 1ujt s THR 37 CO -0.01 0.38 -0.16 0.68 -0.54 0.00 0.00 174.62 174.98 1ujt s VAL 38 N -0.57 2.94 -0.05 2.29 -7.23 -1.26 0.11 120.40 116.63 1ujt s VAL 38 Ca 0.08 -0.87 -0.24 0.00 -1.81 0.00 0.00 61.98 59.14 1ujt s VAL 38 Cb -0.08 -2.17 -0.25 0.00 0.56 0.00 0.00 36.38 34.44 1ujt s VAL 38 CO -0.00 0.52 1.00 -0.78 -0.31 0.00 0.00 175.10 175.52 1ujt h ASP 39 N 5.11 0.26 -3.50 4.85 1.82 -1.98 -3.40 116.42 119.57 1ujt h ASP 39 Ca -0.47 -0.81 -0.62 0.00 -0.39 0.00 0.00 57.03 54.74 1ujt h ASP 39 Cb 1.15 -0.08 -0.41 0.00 0.68 0.00 0.00 39.33 40.67 1ujt h ASP 39 CO 0.50 1.04 -0.66 -0.13 -1.61 0.00 0.00 179.24 178.39 1ujt s ARG 40 N -2.97 1.97 -0.39 0.28 0.52 -1.26 -5.07 118.95 112.02 1ujt s ARG 40 Ca -0.16 -2.78 -0.35 0.00 -0.52 0.00 0.00 55.73 51.92 1ujt s ARG 40 Cb 0.01 -3.02 -0.12 0.00 0.52 0.00 0.00 34.95 32.34 1ujt s ARG 40 CO 0.75 -1.22 2.22 0.94 0.02 0.00 0.00 175.30 178.01 1ujt n GLN 41 N 2.68 0.95 -2.24 3.54 7.27 -1.26 -4.83 117.38 123.49 1ujt n GLN 41 Ca 0.14 0.25 -0.41 0.00 0.07 0.00 0.00 57.00 57.05 1ujt n GLN 41 Cb 0.35 -2.39 -0.03 0.00 2.41 0.00 0.00 30.24 30.58 1ujt n GLN 41 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ujt s PRO 42 N 6.40 4.43 -0.13 3.69 0.04 -1.26 -4.97 135.00 143.20 1ujt s PRO 42 Ca 1.11 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 64.00 1ujt s PRO 42 Cb -0.89 -3.15 -0.25 0.00 0.04 0.00 0.00 34.50 30.24 1ujt s PRO 42 CO 0.49 -0.13 0.52 1.96 0.04 0.00 0.00 177.00 179.89 1ujt h GLN 43 N 4.37 0.14 -0.77 4.56 4.20 -1.99 -3.34 115.11 122.28 1ujt h GLN 43 Ca -0.47 -0.24 0.17 0.00 0.06 0.00 0.00 58.65 58.17 1ujt h GLN 43 Cb 1.22 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.04 1ujt h GLN 43 CO 0.71 1.12 0.52 0.27 -0.67 0.00 0.00 178.83 180.78 1ujt h PHE 44 N -0.61 0.42 -2.22 2.96 -0.00 -1.95 -3.43 116.94 112.12 1ujt h PHE 44 Ca -0.25 0.01 -0.51 0.00 -0.00 0.00 0.00 57.97 57.22 1ujt h PHE 44 Cb 1.50 -0.13 0.24 0.00 -0.00 0.00 0.00 35.95 37.56 1ujt h PHE 44 CO 0.15 0.15 -1.55 1.51 -0.00 0.00 0.00 178.31 178.56 1ujt n ILE 45 N -4.46 0.00 -0.01 0.88 3.06 -1.26 -4.88 119.36 112.68 1ujt n ILE 45 Ca 0.15 -0.26 -0.02 0.00 -2.50 0.00 0.00 62.75 60.12 1ujt n ILE 45 Cb 0.60 -0.29 -0.01 0.00 0.54 0.00 0.00 39.64 40.47 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 0.40 1.03 0.00 9.51 1.13 -1.16 -4.96 117.38 123.34 1ujt n GLN 46 Ca 0.01 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1ujt n GLN 46 Cb 0.61 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.90 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 3.23 1.21 3.61 1.08 0.00 -1.24 -3.27 105.19 109.81 1ujt n GLY 47 Ca -0.05 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 1.85 -1.18 -1.02 1.61 2.02 -1.26 -4.37 117.35 115.00 1ujt s TYR 48 Ca 0.00 2.08 -0.15 0.00 -0.37 0.00 0.00 57.07 58.63 1ujt s TYR 48 Cb 0.00 0.71 0.18 0.00 -0.40 0.00 0.00 41.96 42.45 1ujt s TYR 48 CO 0.00 -0.59 1.15 0.50 -1.57 0.00 0.00 175.55 175.04 1ujt s ARG 49 N 2.65 3.82 -0.79 -0.62 6.06 -1.24 -2.07 118.95 126.76 1ujt s ARG 49 Ca -0.06 -2.30 -0.25 0.00 -2.50 0.00 0.00 55.73 50.61 1ujt s ARG 49 Cb -0.10 -4.83 -0.03 0.00 0.06 0.00 0.00 34.95 30.05 1ujt s ARG 49 CO -0.19 -1.62 1.89 0.08 -2.50 0.00 0.00 175.30 172.96 1ujt s VAL 50 N 1.43 3.43 0.19 7.11 1.01 -0.88 -4.38 120.40 128.31 1ujt s VAL 50 Ca 0.33 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.92 1ujt s VAL 50 Cb -0.06 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1ujt s VAL 50 CO -0.06 -0.98 0.80 -0.04 0.00 0.00 0.00 175.10 174.82 1ujt s MET 51 N 6.94 4.56 0.11 2.72 -1.94 -1.25 -2.20 119.30 128.23 1ujt s MET 51 Ca 0.68 1.17 -0.16 0.00 -1.71 0.00 0.00 55.69 55.66 1ujt s MET 51 Cb -0.09 -3.18 0.03 0.00 2.01 0.00 0.00 34.83 33.61 1ujt s MET 51 CO 0.08 0.52 0.39 1.52 -0.01 0.00 0.00 175.02 177.52 1ujt s TYR 52 N -1.24 -0.19 0.01 -0.03 1.13 -1.13 -2.83 117.35 113.07 1ujt s TYR 52 Ca 0.38 -0.07 -0.29 0.00 -1.41 0.00 0.00 57.07 55.68 1ujt s TYR 52 Cb -0.22 0.23 0.10 0.00 -1.10 0.00 0.00 41.96 40.97 1ujt s TYR 52 CO 0.26 -0.66 1.15 -0.98 -2.51 0.00 0.00 175.55 172.81 1ujt s ARG 53 N -3.53 0.65 0.45 -3.49 1.70 -1.15 -0.66 118.95 112.91 1ujt s ARG 53 Ca 0.01 -0.34 -0.18 0.00 -0.47 0.00 0.00 55.73 54.75 1ujt s ARG 53 Cb 0.01 0.23 -0.09 0.00 -0.57 0.00 0.00 34.95 34.54 1ujt s ARG 53 CO -0.10 -0.30 0.93 -1.14 -1.08 0.00 0.00 175.30 173.62 1ujt s GLN 54 N -2.73 4.07 -0.21 3.89 0.74 -1.26 -2.59 119.66 121.58 1ujt s GLN 54 Ca 0.12 0.97 0.02 0.00 0.05 0.00 0.00 55.36 56.53 1ujt s GLN 54 Cb 0.02 -2.20 -0.14 0.00 1.10 0.00 0.00 33.01 31.79 1ujt s GLN 54 CO -0.02 -0.11 -0.17 0.25 -0.55 0.00 0.00 175.29 174.68 1ujt n THR 55 N -1.04 1.19 -4.11 -0.34 -2.24 -0.99 -2.11 114.28 104.64 1ujt n THR 55 Ca 0.06 -0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 61.23 1ujt n THR 55 Cb 0.54 -1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 67.46 1ujt n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ujt s SER 56 N -5.96 1.14 0.00 3.42 0.01 -1.26 -4.43 113.70 106.61 1ujt s SER 56 Ca -0.27 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1ujt s SER 56 Cb 0.07 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1ujt s SER 56 CO 0.49 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1ujt n GLY 57 N 1.26 0.01 0.11 3.44 0.00 -1.26 -4.56 105.19 104.19 1ujt n GLY 57 Ca -0.21 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 1ujt n GLY 57 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujt n LEU 58 N 0.00 1.94 -0.92 0.99 -0.00 -1.26 -4.17 117.00 113.58 1ujt n LEU 58 Ca 0.00 0.39 -0.00 0.00 -0.00 0.00 0.00 56.01 56.39 1ujt n LEU 58 Cb 0.00 -0.95 0.07 0.00 -0.00 0.00 0.00 43.42 42.54 1ujt n LEU 58 CO 0.00 0.37 0.46 0.00 -0.00 0.00 0.00 177.39 178.22 1ujt n GLN 59 N -4.33 1.63 -2.32 1.96 3.00 -1.26 -4.82 117.38 111.24 1ujt n GLN 59 Ca -0.36 -0.62 -0.41 0.00 -0.01 0.00 0.00 57.00 55.60 1ujt n GLN 59 Cb 0.74 -1.53 -0.03 0.00 0.00 0.00 0.00 30.24 29.42 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujt s ALA 60 N -1.15 3.46 -0.85 -1.58 0.00 -1.26 -3.43 121.76 116.95 1ujt s ALA 60 Ca 0.11 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1ujt s ALA 60 Cb 0.09 -3.41 0.11 0.00 0.00 0.00 0.00 23.12 19.90 1ujt s ALA 60 CO 0.03 -0.40 0.27 -2.37 0.00 0.00 0.00 175.76 173.29 1ujt n THR 61 N 1.69 0.00 -0.10 0.00 5.66 -0.90 -4.70 114.28 115.93 1ujt n THR 61 Ca 0.02 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.83 1ujt n THR 61 Cb 0.44 -0.22 -0.08 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.95 1.88 -3.67 1.09 2.88 -1.22 -4.99 113.62 108.63 1ujt n SER 62 Ca 0.05 0.44 -0.08 0.00 -1.33 0.00 0.00 58.87 57.95 1ujt n SER 62 Cb 0.25 -0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 62.73 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 -6.70 -0.61 0.34 -3.46 0.01 -1.26 -5.15 113.70 96.87 1ujt s SER 63 Ca -0.28 1.14 -0.26 0.00 1.31 0.00 0.00 55.95 57.85 1ujt s SER 63 Cb 0.07 1.25 -0.09 0.00 0.21 0.00 0.00 66.02 67.46 1ujt s SER 63 CO 0.48 -0.22 1.01 0.26 0.41 0.00 0.00 173.24 175.18 1ujt s TRP 64 N 1.97 3.52 0.29 2.43 0.52 -1.26 -4.81 118.94 121.61 1ujt s TRP 64 Ca -0.07 1.72 0.06 0.00 0.02 0.00 0.00 56.10 57.84 1ujt s TRP 64 Cb -0.09 -3.06 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 1ujt s TRP 64 CO -0.15 -0.22 0.36 -0.65 0.02 0.00 0.00 176.95 176.31 1ujt s GLN 65 N -2.10 3.09 -0.04 4.98 -0.21 0.16 -4.97 119.66 120.57 1ujt s GLN 65 Ca 0.52 -1.01 -0.02 0.00 0.02 0.00 0.00 55.36 54.87 1ujt s GLN 65 Cb -0.22 -2.72 0.03 0.00 1.00 0.00 0.00 33.01 31.09 1ujt s GLN 65 CO 0.28 0.23 0.05 -0.80 -2.12 0.00 0.00 175.29 172.93 1ujt s ASN 66 N -4.03 1.16 -0.46 5.90 -0.87 -1.26 -2.86 114.94 112.53 1ujt s ASN 66 Ca 0.39 0.05 -0.02 0.00 -1.57 0.00 0.00 52.86 51.72 1ujt s ASN 66 Cb -0.08 -0.18 0.12 0.00 -0.02 0.00 0.00 41.25 41.09 1ujt s ASN 66 CO 0.28 -0.24 0.25 -0.22 -2.57 0.00 0.00 177.10 174.61 1ujt s LEU 67 N 2.09 5.13 -0.13 0.60 2.96 -0.94 -4.96 118.68 123.44 1ujt s LEU 67 Ca 0.04 -2.31 -0.29 0.00 -0.22 0.00 0.00 54.13 51.35 1ujt s LEU 67 Cb -0.12 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1ujt s LEU 67 CO -0.03 -0.46 1.36 1.51 -1.32 0.00 0.00 176.35 177.40 1ujt s ASP 68 N 1.30 6.88 0.14 3.68 1.47 -1.26 -2.08 116.67 126.80 1ujt s ASP 68 Ca 0.11 1.85 -0.03 0.00 1.18 0.00 0.00 52.55 55.66 1ujt s ASP 68 Cb -0.22 -2.54 -0.06 0.00 -0.34 0.00 0.00 42.92 39.76 1ujt s ASP 68 CO -0.04 -0.79 1.34 0.00 0.68 0.00 0.00 175.17 176.35 1ujt h ALA 69 N 8.46 0.42 -1.90 2.11 0.00 -1.80 -3.47 119.26 123.08 1ujt h ALA 69 Ca -0.30 -0.69 -0.39 0.00 0.00 0.00 0.00 54.91 53.53 1ujt h ALA 69 Cb 1.13 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1ujt h ALA 69 CO 0.96 0.82 -0.43 1.63 0.00 0.00 0.00 179.25 182.23 1ujt n LYS 70 N -3.75 -1.44 -3.29 0.00 5.02 -1.26 -4.95 118.16 108.49 1ujt n LYS 70 Ca -0.06 1.04 -0.05 0.00 -2.02 0.00 0.00 58.31 57.22 1ujt n LYS 70 Cb 0.81 -5.49 -0.06 0.00 -0.02 0.00 0.00 35.03 30.27 1ujt n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ujt s VAL 71 N -2.85 -0.73 -1.65 -0.18 1.01 -1.25 -4.95 120.40 109.80 1ujt s VAL 71 Ca 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 61.98 62.07 1ujt s VAL 71 Cb 0.00 -0.88 0.33 0.00 0.00 0.00 0.00 36.38 35.83 1ujt s VAL 71 CO 0.00 -0.09 1.39 -0.81 0.00 0.00 0.00 175.10 175.58 1ujt n PRO 72 N 5.38 0.32 0.00 2.72 -0.04 -1.20 -1.85 135.00 140.33 1ujt n PRO 72 Ca -0.03 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1ujt n PRO 72 Cb 0.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.17 0.00 -3.27 0.52 -2.24 -1.26 -4.86 114.28 101.99 1ujt n THR 73 Ca 0.09 -0.28 -0.44 0.00 -2.27 0.00 0.00 64.05 61.15 1ujt n THR 73 Cb 0.09 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 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 -2.13 3.05 -0.49 -0.78 2.02 -0.77 -4.92 118.70 114.69 1ujt s GLU 74 Ca 0.13 -1.11 0.03 0.00 0.02 0.00 0.00 54.97 54.03 1ujt s GLU 74 Cb 0.14 -4.11 0.59 0.00 0.10 0.00 0.00 34.13 30.85 1ujt s GLU 74 CO 0.49 -1.12 1.89 0.54 0.02 0.00 0.00 175.26 177.07 1ujt n ARG 75 N 5.70 2.35 -3.58 1.61 3.00 -1.26 -4.85 116.66 119.63 1ujt n ARG 75 Ca -0.09 -3.13 -0.00 0.00 -0.01 0.00 0.00 57.85 54.62 1ujt n ARG 75 Cb 0.45 -2.17 -0.04 0.00 0.00 0.00 0.00 32.46 30.69 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ujt s SER 76 N -1.61 -0.99 0.36 0.55 1.04 -1.26 -2.04 113.70 109.75 1ujt s SER 76 Ca 0.58 1.36 0.09 0.00 0.48 0.00 0.00 55.95 58.45 1ujt s SER 76 Cb 0.48 2.13 -0.07 0.00 0.10 0.00 0.00 66.02 68.66 1ujt s SER 76 CO 0.07 -0.19 -0.06 0.00 0.98 0.00 0.00 173.24 174.03 1ujt s ALA 77 N 2.78 2.99 -0.04 5.32 0.00 -0.90 -4.96 121.76 126.95 1ujt s ALA 77 Ca -0.05 -2.15 0.05 0.00 0.00 0.00 0.00 51.96 49.82 1ujt s ALA 77 Cb -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1ujt s ALA 77 CO -0.19 0.02 -0.20 0.08 0.00 0.00 0.00 175.76 175.47 1ujt s VAL 78 N -2.65 1.64 -0.33 0.00 1.01 -1.26 -1.02 120.40 117.78 1ujt s VAL 78 Ca 0.33 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1ujt s VAL 78 Cb 0.05 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1ujt s VAL 78 CO 0.17 0.46 0.12 -0.76 0.00 0.00 0.00 175.10 175.09 1ujt s LEU 79 N -0.11 4.19 0.33 3.92 1.43 -0.49 -4.99 118.68 122.96 1ujt s LEU 79 Ca -0.02 -0.87 0.07 0.00 -1.03 0.00 0.00 54.13 52.28 1ujt s LEU 79 Cb -0.11 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1ujt s LEU 79 CO 0.02 -0.27 0.32 0.68 0.23 0.00 0.00 176.35 177.33 1ujt s VAL 80 N 1.49 3.63 -0.73 -1.59 -7.23 -1.26 -1.71 120.40 113.00 1ujt s VAL 80 Ca 0.01 -1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 1ujt s VAL 80 Cb -0.18 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.54 1ujt s VAL 80 CO 0.04 -0.17 0.61 0.59 -0.31 0.00 0.00 175.10 175.86 1ujt n ASN 81 N -1.41 -2.40 -4.87 4.85 3.02 -1.09 -4.99 115.26 108.36 1ujt n ASN 81 Ca -0.02 -0.36 -0.21 0.00 -0.03 0.00 0.00 54.58 53.96 1ujt n ASN 81 Cb 0.59 -3.25 -0.03 0.00 -0.61 0.00 0.00 39.78 36.48 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ujt s LEU 82 N -4.62 3.56 0.30 3.41 1.43 -0.44 -5.07 118.68 117.25 1ujt s LEU 82 Ca 0.05 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1ujt s LEU 82 Cb -0.02 -2.21 -0.08 0.00 0.03 0.00 0.00 46.19 43.90 1ujt s LEU 82 CO 0.43 -0.46 0.66 -0.75 0.23 0.00 0.00 176.35 176.47 1ujt s LYS 83 N -4.06 3.88 -0.23 1.70 2.20 -1.26 -4.53 119.74 117.43 1ujt s LYS 83 Ca 0.44 0.46 -0.09 0.00 -0.36 0.00 0.00 55.97 56.41 1ujt s LYS 83 Cb -0.05 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1ujt s LYS 83 CO 0.27 0.20 0.12 -1.59 -0.36 0.00 0.00 175.35 173.99 1ujt s LYS 84 N -3.06 3.96 0.00 4.03 -2.85 -1.18 -4.55 119.74 116.10 1ujt s LYS 84 Ca 0.51 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.15 1ujt s LYS 84 Cb -0.11 -3.43 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 1ujt s LYS 84 CO 0.21 0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.12 1ujt n GLY 85 N 4.29 0.58 3.60 0.59 0.00 0.29 -4.83 105.19 109.71 1ujt n GLY 85 Ca -0.15 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.98 0.00 0.11 1.61 0.11 -1.19 -4.98 120.40 114.08 1ujt s VAL 86 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1ujt s VAL 86 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1ujt s VAL 86 CO 0.00 0.00 0.98 -0.89 -3.33 0.00 0.00 175.10 171.86 1ujt s THR 87 N -0.72 4.46 -0.11 5.04 2.01 -1.26 -2.42 115.64 122.64 1ujt s THR 87 Ca 0.01 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.07 1ujt s THR 87 Cb -0.02 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1ujt s THR 87 CO -0.02 0.31 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.70 1ujt s TYR 88 N 0.04 2.37 -0.23 4.92 2.02 -0.23 -2.35 117.35 123.89 1ujt s TYR 88 Ca 0.47 -1.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.00 1ujt s TYR 88 Cb -0.24 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1ujt s TYR 88 CO 0.30 -0.45 0.31 -2.00 -1.57 0.00 0.00 175.55 172.15 1ujt s GLU 89 N 0.56 4.10 0.02 -0.62 2.12 -1.07 -0.38 118.70 123.43 1ujt s GLU 89 Ca -0.14 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.21 1ujt s GLU 89 Cb -0.17 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1ujt s GLU 89 CO 0.05 -0.06 -0.06 0.42 -0.54 0.00 0.00 175.26 175.07 1ujt s ILE 90 N 1.40 0.40 0.24 -3.70 1.09 -1.03 -2.95 121.20 116.64 1ujt s ILE 90 Ca 0.14 -0.66 0.05 0.00 -1.10 0.00 0.00 60.65 59.08 1ujt s ILE 90 Cb -0.15 -0.43 -0.02 0.00 -1.06 0.00 0.00 42.46 40.81 1ujt s ILE 90 CO 0.07 -0.18 0.19 2.29 -0.10 0.00 0.00 174.94 177.22 1ujt n LYS 91 N 2.15 0.32 -3.65 2.79 0.00 -1.13 -1.96 118.16 116.68 1ujt n LYS 91 Ca -0.18 -2.37 -0.21 0.00 -0.00 0.00 0.00 58.31 55.55 1ujt n LYS 91 Cb 0.56 1.90 -0.17 0.00 -0.00 0.00 0.00 35.03 37.32 1ujt n LYS 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ujt s VAL 92 N -2.94 -0.13 -0.12 0.58 1.01 -1.26 -3.82 120.40 113.72 1ujt s VAL 92 Ca 0.27 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1ujt s VAL 92 Cb 0.01 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1ujt s VAL 92 CO 0.19 0.08 -0.18 -0.13 0.00 0.00 0.00 175.10 175.06 1ujt s ARG 93 N 2.19 2.51 -0.53 2.72 0.52 -1.26 -2.09 118.95 123.01 1ujt s ARG 93 Ca 0.04 -0.67 -0.27 0.00 -0.52 0.00 0.00 55.73 54.31 1ujt s ARG 93 Cb -0.13 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.25 1ujt s ARG 93 CO -0.05 -0.03 1.81 -1.25 0.02 0.00 0.00 175.30 175.80 1ujt s PRO 94 N 0.89 2.87 -0.01 3.54 0.04 -1.26 -3.73 135.00 137.34 1ujt s PRO 94 Ca -0.08 0.84 0.01 0.00 0.04 0.00 0.00 61.00 61.80 1ujt s PRO 94 Cb -0.15 -4.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 1ujt s PRO 94 CO -0.01 -2.43 0.03 1.52 0.04 0.00 0.00 177.00 176.15 1ujt s TYR 95 N 8.26 3.16 -0.15 0.56 -0.85 -1.26 -0.72 117.35 126.35 1ujt s TYR 95 Ca 0.70 0.14 -0.11 0.00 -0.52 0.00 0.00 57.07 57.27 1ujt s TYR 95 Cb -0.15 -1.70 -0.06 0.00 0.38 0.00 0.00 41.96 40.42 1ujt s TYR 95 CO 0.25 0.50 -0.25 0.34 -1.52 0.00 0.00 175.55 174.87 1ujt n PHE 96 N 1.35 0.00 0.02 -3.49 7.35 -1.24 -2.96 117.46 118.48 1ujt n PHE 96 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 1ujt n PHE 96 Cb 0.53 -0.53 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 -4.00 0.18 0.00 -2.13 3.02 -1.26 -4.22 115.26 106.85 1ujt n ASN 97 Ca -0.25 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1ujt n ASN 97 Cb 0.58 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1ujt n ASN 97 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1ujt n GLU 98 N -2.75 1.71 -1.54 3.52 0.28 -1.26 -5.08 120.64 115.51 1ujt n GLU 98 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1ujt n GLU 98 Cb 0.00 -0.78 0.08 0.00 1.43 0.00 0.00 31.44 32.17 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1ujt s PHE 99 N -1.56 2.89 -0.17 -1.84 -0.71 -1.26 -5.06 117.98 110.26 1ujt s PHE 99 Ca 0.00 1.23 -0.01 0.00 -1.04 0.00 0.00 56.93 57.11 1ujt s PHE 99 Cb 0.00 -3.06 0.05 0.00 -1.21 0.00 0.00 43.02 38.80 1ujt s PHE 99 CO 0.00 -1.65 -0.01 -0.65 -1.34 0.00 0.00 175.22 171.57 1ujt s GLN 100 N -5.12 1.02 1.25 1.99 -0.21 -1.26 -3.70 119.66 113.64 1ujt s GLN 100 Ca 0.60 -0.43 -0.20 0.00 0.02 0.00 0.00 55.36 55.36 1ujt s GLN 100 Cb -0.14 -1.95 0.30 0.00 1.00 0.00 0.00 33.01 32.22 1ujt s GLN 100 CO 0.55 -0.51 0.69 0.41 -2.12 0.00 0.00 175.29 174.30 1ujt n GLY 101 N 4.97 -3.28 3.44 3.09 0.00 0.10 -4.81 105.19 108.70 1ujt n GLY 101 Ca -0.10 -1.06 -0.49 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.20 0.23 -3.33 1.61 2.81 -1.26 -4.40 117.12 108.58 1ujt n MET 102 Ca 0.11 0.08 -0.38 0.00 -1.81 0.00 0.00 57.70 55.70 1ujt n MET 102 Cb 0.48 -1.21 -0.06 0.00 -0.71 0.00 0.00 33.22 31.72 1ujt n MET 102 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1ujt s ASP 103 N -0.78 6.72 1.19 7.83 1.47 -1.26 -4.25 116.67 127.59 1ujt s ASP 103 Ca 0.67 0.86 -0.15 0.00 1.18 0.00 0.00 52.55 55.11 1ujt s ASP 103 Cb -0.93 -2.29 0.29 0.00 -0.34 0.00 0.00 42.92 39.65 1ujt s ASP 103 CO 0.56 0.05 1.02 -0.94 0.68 0.00 0.00 175.17 176.54 1ujt s SER 104 N 0.37 0.81 -0.60 2.11 1.04 -0.89 -4.84 113.70 111.71 1ujt s SER 104 Ca 0.26 1.27 -0.26 0.00 0.48 0.00 0.00 55.95 57.69 1ujt s SER 104 Cb -0.16 -1.95 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 1ujt s SER 104 CO 0.11 -4.27 1.98 -1.61 0.98 0.00 0.00 173.24 170.43 1ujt s GLU 105 N -4.70 2.51 -0.30 4.02 2.02 -1.26 -4.69 118.70 116.30 1ujt s GLU 105 Ca 0.68 0.75 -0.41 0.00 0.02 0.00 0.00 54.97 56.01 1ujt s GLU 105 Cb -0.21 -4.45 -0.16 0.00 0.10 0.00 0.00 34.13 29.41 1ujt s GLU 105 CO 0.62 -2.87 1.71 -1.13 0.02 0.00 0.00 175.26 173.61 1ujt n SER 106 N 13.46 2.17 -4.57 -0.19 3.41 -1.26 -4.80 113.62 121.85 1ujt n SER 106 Ca 0.24 1.09 -0.34 0.00 -0.26 0.00 0.00 58.87 59.61 1ujt n SER 106 Cb 0.52 -1.10 -0.11 0.00 -0.26 0.00 0.00 64.21 63.26 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 3.36 3.45 -0.07 4.33 -0.14 -0.83 -4.92 119.74 124.92 1ujt s LYS 107 Ca 0.99 -0.47 -0.19 0.00 -1.36 0.00 0.00 55.97 54.94 1ujt s LYS 107 Cb -1.13 -2.89 -0.05 0.00 -1.68 0.00 0.00 37.83 32.08 1ujt s LYS 107 CO 0.68 0.40 0.51 0.95 -0.76 0.00 0.00 175.35 177.13 1ujt s THR 108 N -0.06 5.09 -0.26 2.17 -4.23 -1.26 -2.47 115.64 114.63 1ujt s THR 108 Ca 0.02 1.04 0.02 0.00 -1.18 0.00 0.00 61.69 61.59 1ujt s THR 108 Cb -0.13 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 69.92 1ujt s THR 108 CO 0.02 0.37 -0.10 0.54 -0.54 0.00 0.00 174.62 174.92 1ujt s VAL 109 N 0.23 2.34 -0.60 2.29 0.11 0.49 -4.89 120.40 120.37 1ujt s VAL 109 Ca 0.28 -1.46 -0.24 0.00 -2.93 0.00 0.00 61.98 57.63 1ujt s VAL 109 Cb -0.16 -2.31 0.05 0.00 -1.53 0.00 0.00 36.38 32.43 1ujt s VAL 109 CO 0.13 0.05 0.97 -0.60 -3.33 0.00 0.00 175.10 172.32 1ujt s ARG 110 N 1.17 3.25 -0.51 1.54 3.52 -1.26 -1.07 118.95 125.58 1ujt s ARG 110 Ca -0.06 -0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 1ujt s ARG 110 Cb -0.19 -4.12 0.01 0.00 -1.56 0.00 0.00 34.95 29.10 1ujt s ARG 110 CO -0.05 -1.63 1.39 0.95 -0.81 0.00 0.00 175.30 175.14 1ujt s THR 111 N 4.11 3.86 1.07 4.11 -4.23 -1.02 -4.92 115.64 118.62 1ujt s THR 111 Ca 0.28 0.79 -0.19 0.00 -1.18 0.00 0.00 61.69 61.39 1ujt s THR 111 Cb -0.14 -4.39 0.04 0.00 1.34 0.00 0.00 72.50 69.35 1ujt s THR 111 CO 0.16 -1.05 -0.21 1.07 -0.54 0.00 0.00 174.62 174.05 1ujt n THR 112 N 6.92 0.00 -0.12 3.99 5.66 -1.26 0.10 114.28 129.57 1ujt n THR 112 Ca 0.13 -0.25 -0.18 0.00 -3.05 0.00 0.00 64.05 60.70 1ujt n THR 112 Cb 0.49 -0.49 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 -1.14 0.59 -1.76 1.09 1.02 -1.26 -2.98 120.64 116.20 1ujt n GLU 113 Ca 0.01 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1ujt n GLU 113 Cb 0.63 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1ujt n GLU 113 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ujt s GLU 114 N -2.47 4.15 -0.36 3.49 -6.30 -1.26 -4.92 118.70 111.01 1ujt s GLU 114 Ca -0.33 2.55 -0.19 0.00 -2.50 0.00 0.00 54.97 54.51 1ujt s GLU 114 Cb 0.09 -3.38 0.00 0.00 0.00 0.00 0.00 34.13 30.85 1ujt s GLU 114 CO 0.53 -0.78 0.57 0.45 0.02 0.00 0.00 175.26 176.05 1ujt s SER 115 N 2.02 6.36 -0.47 -1.70 0.15 -1.26 -4.92 113.70 113.88 1ujt s SER 115 Ca 0.77 0.00 0.07 0.00 0.70 0.00 0.00 55.95 57.49 1ujt s SER 115 Cb -0.47 -2.30 0.18 0.00 -1.71 0.00 0.00 66.02 61.73 1ujt s SER 115 CO 0.34 -0.55 0.67 -0.83 1.20 0.00 0.00 173.24 174.07 1ujt s GLY 116 N 1.79 -1.18 0.06 9.45 0.00 -1.26 -5.14 107.32 111.04 1ujt s GLY 116 Ca 0.21 -0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.41 1ujt s GLY 116 CO 0.14 3.61 1.40 2.56 0.00 0.00 0.00 173.10 180.82 1ujt s PRO 117 N 1.27 4.30 0.07 2.90 0.04 -1.26 -5.03 135.00 137.30 1ujt s PRO 117 Ca 0.24 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.41 1ujt s PRO 117 Cb -0.02 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 1ujt s PRO 117 CO -0.06 -0.51 -0.26 -1.54 0.04 0.00 0.00 177.00 174.68 1ujt s SER 118 N 1.53 3.29 0.23 6.66 1.04 -1.26 -5.14 113.70 120.05 1ujt s SER 118 Ca 0.65 -0.62 0.05 0.00 0.48 0.00 0.00 55.95 56.51 1ujt s SER 118 Cb -0.34 -0.31 -0.05 0.00 0.10 0.00 0.00 66.02 65.42 1ujt s SER 118 CO 0.29 0.23 -0.06 -0.44 0.98 0.00 0.00 173.24 174.24 1ujt s SER 119 N -1.52 2.24 0.00 7.02 0.01 -1.26 -5.20 113.70 114.99 1ujt s SER 119 Ca 0.13 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1ujt s SER 119 Cb -0.10 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1ujt s SER 119 CO 0.04 -0.38 0.44 0.61 0.41 0.00 0.00 173.24 174.36