#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 2.67 0.10 1.61 1.04 -1.26 -5.13 113.70 112.73 1ujt s SER 2 Ca 0.00 -0.75 -0.25 0.00 0.48 0.00 0.00 55.95 55.43 1ujt s SER 2 Cb 0.00 -0.41 0.08 0.00 0.10 0.00 0.00 66.02 65.79 1ujt s SER 2 CO 0.00 -0.34 0.68 -0.55 0.98 0.00 0.00 173.24 174.01 1ujt s SER 3 N 2.01 -0.53 1.80 7.02 0.15 -1.26 -5.10 113.70 117.78 1ujt s SER 3 Ca 0.01 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1ujt s SER 3 Cb -0.16 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1ujt s SER 3 CO -0.10 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1ujt n GLY 4 N -0.22 3.87 3.59 9.45 0.00 -1.26 -4.77 105.19 115.85 1ujt n GLY 4 Ca -0.15 0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 1ujt n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ujt n SER 5 N 8.61 1.31 -4.43 1.61 3.41 -1.26 -4.99 113.62 117.88 1ujt n SER 5 Ca 0.00 1.18 -0.29 0.00 -0.26 0.00 0.00 58.87 59.50 1ujt n SER 5 Cb 0.00 -1.28 -0.12 0.00 -0.26 0.00 0.00 64.21 62.55 1ujt n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ujt s SER 6 N -0.51 3.55 0.00 4.04 1.04 -1.26 -4.82 113.70 115.74 1ujt s SER 6 Ca 0.60 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1ujt s SER 6 Cb -0.71 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.07 1ujt s SER 6 CO 0.59 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.58 1ujt n GLY 7 N 0.69 1.64 0.11 7.32 0.00 -1.26 -5.03 105.19 108.66 1ujt n GLY 7 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.18 -0.35 1.61 3.08 -2.02 -3.30 114.38 113.57 1ujt h ARG 8 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1ujt h ARG 8 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ujt h ARG 8 CO 0.00 0.98 0.00 0.94 -1.07 0.00 0.00 179.97 180.82 1ujt n GLN 9 N -3.35 1.49 0.10 0.04 7.27 -1.26 -4.08 117.38 117.59 1ujt n GLN 9 Ca -0.19 -0.61 -0.13 0.00 0.07 0.00 0.00 57.00 56.14 1ujt n GLN 9 Cb 1.04 -1.26 -0.08 0.00 2.41 0.00 0.00 30.24 32.35 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 0.92 0.92 -0.15 1.69 3.04 -1.99 0.24 116.25 120.92 1ujt h VAL 10 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1ujt h VAL 10 Cb 0.37 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1ujt h VAL 10 CO 0.03 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 176.71 1ujt n GLN 11 N -5.08 1.50 -0.03 4.17 6.02 -1.26 -2.29 117.38 120.41 1ujt n GLN 11 Ca -0.09 -0.61 -0.07 0.00 -0.01 0.00 0.00 57.00 56.22 1ujt n GLN 11 Cb 0.21 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 30.17 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 0.02 0.15 0.08 -1.09 4.81 -1.05 -4.80 118.16 116.27 1ujt n LYS 12 Ca 0.06 0.06 -0.22 0.00 -0.87 0.00 0.00 58.31 57.34 1ujt n LYS 12 Cb 0.22 -0.75 -0.15 0.00 0.02 0.00 0.00 35.03 34.37 1ujt n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ujt h GLU 13 N -0.25 0.38 -0.73 1.64 4.81 -0.65 -3.15 114.58 116.63 1ujt h GLU 13 Ca -0.16 -0.65 0.29 0.00 -0.13 0.00 0.00 59.36 58.71 1ujt h GLU 13 Cb 1.05 0.24 -0.11 0.00 0.63 0.00 0.00 28.75 30.56 1ujt h GLU 13 CO -0.10 1.31 0.42 -0.11 -0.73 0.00 0.00 179.01 179.80 1ujt n LEU 14 N -3.99 0.20 -0.07 1.64 7.94 -0.97 0.33 117.00 122.08 1ujt n LEU 14 Ca -0.15 1.04 -0.22 0.00 -1.11 0.00 0.00 56.01 55.56 1ujt n LEU 14 Cb 0.92 -0.51 -0.12 0.00 0.53 0.00 0.00 43.42 44.24 1ujt n LEU 14 CO 0.53 -1.15 -0.70 0.61 -1.11 0.00 0.00 177.39 175.57 1ujt n GLY 15 N -1.22 -0.72 0.11 -3.96 0.00 -1.25 -3.83 105.19 94.32 1ujt n GLY 15 Ca 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 1ujt n GLY 15 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ujt h ASP 16 N -0.64 -0.42 -1.24 1.61 5.19 -0.08 -3.42 116.42 117.42 1ujt h ASP 16 Ca -0.40 0.05 -0.67 0.00 -0.62 0.00 0.00 57.03 55.39 1ujt h ASP 16 Cb 1.57 0.17 0.10 0.00 0.18 0.00 0.00 39.33 41.35 1ujt h ASP 16 CO -0.13 -0.10 -0.36 0.55 -3.12 0.00 0.00 179.24 176.07 1ujt n VAL 17 N -3.29 1.80 -4.94 -1.35 3.14 -0.55 -4.97 118.33 108.17 1ujt n VAL 17 Ca -0.01 -0.45 -0.28 0.00 -2.96 0.00 0.00 64.34 60.64 1ujt n VAL 17 Cb 0.08 -0.17 -0.17 0.00 -1.06 0.00 0.00 33.84 32.53 1ujt n VAL 17 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1ujt s LEU 18 N 2.33 1.91 -0.10 6.55 0.20 -1.26 -4.71 118.68 123.60 1ujt s LEU 18 Ca 0.66 -0.43 -0.12 0.00 0.69 0.00 0.00 54.13 54.93 1ujt s LEU 18 Cb -0.92 -1.12 -0.05 0.00 -0.43 0.00 0.00 46.19 43.67 1ujt s LEU 18 CO 0.56 0.13 0.29 -0.69 -0.29 0.00 0.00 176.35 176.36 1ujt s VAL 19 N 0.30 5.27 -0.58 1.68 1.01 -1.26 -2.84 120.40 123.97 1ujt s VAL 19 Ca -0.12 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 1ujt s VAL 19 Cb -0.15 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 32.77 1ujt s VAL 19 CO 0.05 0.51 0.49 -0.13 0.00 0.00 0.00 175.10 176.02 1ujt s ARG 20 N -0.41 2.88 -1.10 2.72 0.52 0.15 -4.73 118.95 118.98 1ujt s ARG 20 Ca 0.18 -1.94 -0.18 0.00 -0.52 0.00 0.00 55.73 53.27 1ujt s ARG 20 Cb -0.14 -4.14 0.11 0.00 0.52 0.00 0.00 34.95 31.30 1ujt s ARG 20 CO 0.07 -1.26 1.41 -1.17 0.02 0.00 0.00 175.30 174.37 1ujt s LEU 21 N 1.11 4.46 0.00 2.53 2.96 -1.26 -0.72 118.68 127.75 1ujt s LEU 21 Ca 0.08 -2.25 0.00 0.00 -0.22 0.00 0.00 54.13 51.74 1ujt s LEU 21 Cb -0.24 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1ujt s LEU 21 CO -0.01 -1.10 0.75 1.41 -1.32 0.00 0.00 176.35 176.08 1ujt n HIS 22 N 7.20 0.00 -3.65 5.38 8.25 -1.22 -4.88 115.22 126.31 1ujt n HIS 22 Ca 0.35 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.76 1ujt n HIS 22 Cb 0.47 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 31.26 1ujt n HIS 22 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ujt s ASN 23 N -2.79 -0.20 -1.18 0.41 2.47 -1.26 -5.08 114.94 107.31 1ujt s ASN 23 Ca 0.00 0.37 -0.23 0.00 0.42 0.00 0.00 52.86 53.42 1ujt s ASN 23 Cb 0.00 0.48 -0.09 0.00 -1.45 0.00 0.00 41.25 40.19 1ujt s ASN 23 CO 0.00 -0.06 1.93 -2.16 -3.72 0.00 0.00 177.10 173.09 1ujt s PRO 24 N 0.26 2.49 -0.45 0.43 0.04 -1.26 -4.32 135.00 132.19 1ujt s PRO 24 Ca 0.04 -1.16 -0.37 0.00 0.04 0.00 0.00 61.00 59.55 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 -3.98 2.22 0.28 0.04 0.00 0.00 177.00 175.43 1ujt n VAL 25 N 7.80 0.10 -2.47 -0.36 0.31 -0.14 -4.67 118.33 118.91 1ujt n VAL 25 Ca 0.45 -0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 64.20 1ujt n VAL 25 Cb 0.47 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.11 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 7.23 3.74 -0.02 2.52 0.11 -1.26 -1.67 120.40 131.04 1ujt s VAL 26 Ca 1.14 -0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 60.00 1ujt s VAL 26 Cb -1.06 -4.82 -0.06 0.00 -1.53 0.00 0.00 36.38 28.92 1ujt s VAL 26 CO 0.53 -1.74 0.60 -0.07 -3.33 0.00 0.00 175.10 171.10 1ujt h LEU 27 N 13.60 -0.31 -8.94 2.54 3.38 -1.88 -3.48 115.31 120.22 1ujt h LEU 27 Ca -0.08 0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.43 1ujt h LEU 27 Cb 1.04 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1ujt h LEU 27 CO 1.32 -0.06 -0.73 0.42 0.09 0.00 0.00 178.44 179.48 1ujt s THR 28 N -2.87 1.82 -2.00 0.22 -4.23 -0.64 -5.01 115.64 102.92 1ujt s THR 28 Ca -0.05 -2.23 0.11 0.00 -1.18 0.00 0.00 61.69 58.34 1ujt s THR 28 Cb 0.01 -2.09 0.32 0.00 1.34 0.00 0.00 72.50 72.08 1ujt s THR 28 CO 0.16 -0.56 1.10 -0.81 -0.54 0.00 0.00 174.62 173.97 1ujt n PRO 29 N -0.42 0.49 0.00 3.99 -0.04 -1.26 -2.02 135.00 135.75 1ujt n PRO 29 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ujt n PRO 29 Cb 0.60 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.86 0.00 -3.72 0.52 -2.24 -1.26 -3.55 114.28 103.16 1ujt n THR 30 Ca 0.08 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1ujt n THR 30 Cb 0.04 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.83 -0.02 -0.04 4.28 2.01 -0.85 -1.44 115.64 118.75 1ujt s THR 31 Ca 0.00 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.11 1ujt s THR 31 Cb 0.00 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 1ujt s THR 31 CO 0.00 0.02 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.07 1ujt s VAL 32 N 0.84 1.60 -0.14 3.82 1.01 0.45 -1.63 120.40 126.36 1ujt s VAL 32 Ca -0.05 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1ujt s VAL 32 Cb -0.06 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1ujt s VAL 32 CO -0.06 0.46 0.14 -1.58 0.00 0.00 0.00 175.10 174.05 1ujt s GLN 33 N -0.18 3.68 -0.12 2.72 0.74 -0.67 -0.37 119.66 125.46 1ujt s GLN 33 Ca 0.00 -0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.29 1ujt s GLN 33 Cb -0.11 -3.26 0.01 0.00 1.10 0.00 0.00 33.01 30.75 1ujt s GLN 33 CO 0.01 0.63 -0.22 0.08 -0.55 0.00 0.00 175.29 175.24 1ujt s VAL 34 N -0.59 1.95 0.11 1.34 1.01 0.60 -0.97 120.40 123.85 1ujt s VAL 34 Ca 0.13 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1ujt s VAL 34 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1ujt s VAL 34 CO 0.02 0.53 -0.23 -0.89 0.00 0.00 0.00 175.10 174.54 1ujt s THR 35 N 0.63 1.87 0.07 3.92 2.01 -1.26 -0.63 115.64 122.24 1ujt s THR 35 Ca -0.12 -1.60 -0.19 0.00 0.31 0.00 0.00 61.69 60.08 1ujt s THR 35 Cb -0.16 -1.68 0.04 0.00 0.01 0.00 0.00 72.50 70.71 1ujt s THR 35 CO 0.03 -0.01 0.46 -1.66 -0.69 0.00 0.00 174.62 172.74 1ujt s TRP 36 N -1.13 -0.32 -0.10 4.92 -2.14 -0.78 -3.41 118.94 115.99 1ujt s TRP 36 Ca 0.09 0.24 0.02 0.00 2.66 0.00 0.00 56.10 59.10 1ujt s TRP 36 Cb -0.10 0.29 0.01 0.00 -3.10 0.00 0.00 33.47 30.57 1ujt s TRP 36 CO 0.05 -0.64 -0.14 0.95 -2.66 0.00 0.00 176.95 174.50 1ujt s THR 37 N -2.83 1.40 -0.17 0.66 -4.23 0.10 -4.77 115.64 105.81 1ujt s THR 37 Ca -0.03 -0.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1ujt s THR 37 Cb -0.00 -1.28 -0.05 0.00 1.34 0.00 0.00 72.50 72.51 1ujt s THR 37 CO -0.05 0.42 0.19 0.68 -0.54 0.00 0.00 174.62 175.32 1ujt s VAL 38 N 0.92 5.38 0.07 2.29 -7.23 -1.26 0.35 120.40 120.92 1ujt s VAL 38 Ca -0.09 0.32 -0.30 0.00 -1.81 0.00 0.00 61.98 60.10 1ujt s VAL 38 Cb -0.15 -3.51 -0.18 0.00 0.56 0.00 0.00 36.38 33.10 1ujt s VAL 38 CO -0.00 0.46 1.65 -0.78 -0.31 0.00 0.00 175.10 176.12 1ujt h ASP 39 N 6.33 -0.53 -3.02 4.85 3.58 -1.94 -3.36 116.42 122.34 1ujt h ASP 39 Ca -0.44 0.01 -0.62 0.00 0.42 0.00 0.00 57.03 56.41 1ujt h ASP 39 Cb 1.17 0.14 -0.41 0.00 1.72 0.00 0.00 39.33 41.94 1ujt h ASP 39 CO 0.73 -0.37 -0.63 -0.13 -2.88 0.00 0.00 179.24 175.95 1ujt s ARG 40 N -6.06 2.23 -0.48 0.28 0.52 -1.26 -5.07 118.95 109.10 1ujt s ARG 40 Ca -0.16 -3.15 -0.43 0.00 -0.52 0.00 0.00 55.73 51.47 1ujt s ARG 40 Cb 0.04 -3.13 -0.18 0.00 0.52 0.00 0.00 34.95 32.20 1ujt s ARG 40 CO 0.63 -1.30 2.14 0.94 0.02 0.00 0.00 175.30 177.73 1ujt n GLN 41 N 2.12 0.13 -2.19 3.54 7.27 -1.26 -4.83 117.38 122.16 1ujt n GLN 41 Ca 0.21 0.03 -0.42 0.00 0.07 0.00 0.00 57.00 56.89 1ujt n GLN 41 Cb 0.37 -1.61 -0.03 0.00 2.41 0.00 0.00 30.24 31.38 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 6.00 4.31 -0.10 3.69 0.04 -1.26 -4.95 135.00 142.73 1ujt s PRO 42 Ca 1.19 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.99 1ujt s PRO 42 Cb -1.42 -3.39 -0.27 0.00 0.04 0.00 0.00 34.50 29.46 1ujt s PRO 42 CO 0.64 -0.49 0.84 0.37 0.04 0.00 0.00 177.00 178.40 1ujt h GLN 43 N 7.25 0.09 -0.92 4.56 5.75 -2.00 -3.32 115.11 126.53 1ujt h GLN 43 Ca -0.41 -0.15 0.18 0.00 -0.15 0.00 0.00 58.65 58.13 1ujt h GLN 43 Cb 1.20 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 29.69 1ujt h GLN 43 CO 0.88 1.04 0.49 0.27 -2.65 0.00 0.00 178.83 178.86 1ujt h PHE 44 N -0.78 0.85 -2.09 3.99 -0.00 -1.98 -3.43 116.94 113.51 1ujt h PHE 44 Ca -0.04 0.04 -0.55 0.00 -0.00 0.00 0.00 57.97 57.42 1ujt h PHE 44 Cb 1.15 -0.24 0.24 0.00 -0.00 0.00 0.00 35.95 37.10 1ujt h PHE 44 CO 0.24 0.13 -1.76 1.51 -0.00 0.00 0.00 178.31 178.44 1ujt n ILE 45 N -4.88 0.01 -0.09 0.88 3.06 -1.25 -4.95 119.36 112.13 1ujt n ILE 45 Ca 0.21 -0.48 -0.16 0.00 -2.50 0.00 0.00 62.75 59.82 1ujt n ILE 45 Cb 0.55 -0.04 -0.08 0.00 0.54 0.00 0.00 39.64 40.61 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 2.20 0.45 0.00 9.51 1.13 -1.17 -4.95 117.38 124.54 1ujt n GLN 46 Ca -0.01 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1ujt n GLN 46 Cb 0.55 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.60 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 2.31 2.40 3.62 1.08 0.00 -1.16 -3.45 105.19 109.99 1ujt n GLY 47 Ca -0.35 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 1.37 -0.75 -0.32 1.61 2.02 -1.26 -4.07 117.35 115.95 1ujt s TYR 48 Ca 0.00 1.77 -0.07 0.00 -0.37 0.00 0.00 57.07 58.40 1ujt s TYR 48 Cb 0.00 0.30 0.02 0.00 -0.40 0.00 0.00 41.96 41.88 1ujt s TYR 48 CO 0.00 -0.40 0.09 0.50 -1.57 0.00 0.00 175.55 174.17 1ujt s ARG 49 N 0.15 2.84 -0.91 -0.62 3.52 -1.14 -1.97 118.95 120.82 1ujt s ARG 49 Ca -0.01 -1.03 -0.11 0.00 -0.13 0.00 0.00 55.73 54.45 1ujt s ARG 49 Cb -0.04 -3.42 0.23 0.00 -1.56 0.00 0.00 34.95 30.16 1ujt s ARG 49 CO 0.02 -0.56 0.86 0.08 -0.81 0.00 0.00 175.30 174.89 1ujt s VAL 50 N 1.45 5.57 0.32 7.11 1.01 -0.91 -3.64 120.40 131.30 1ujt s VAL 50 Ca 0.00 -2.87 -0.27 0.00 0.00 0.00 0.00 61.98 58.85 1ujt s VAL 50 Cb -0.18 -4.41 -0.10 0.00 0.00 0.00 0.00 36.38 31.69 1ujt s VAL 50 CO 0.03 -1.07 0.98 -0.04 0.00 0.00 0.00 175.10 174.99 1ujt s MET 51 N -0.38 4.55 0.08 2.72 -1.94 -1.21 -1.98 119.30 121.15 1ujt s MET 51 Ca 0.22 1.42 -0.17 0.00 -1.71 0.00 0.00 55.69 55.45 1ujt s MET 51 Cb -0.11 -2.85 0.04 0.00 2.01 0.00 0.00 34.83 33.92 1ujt s MET 51 CO -0.08 0.23 0.41 1.52 -0.01 0.00 0.00 175.02 177.09 1ujt s TYR 52 N -1.53 -0.24 0.09 -0.03 1.13 -0.93 -2.64 117.35 113.20 1ujt s TYR 52 Ca 0.50 0.07 -0.26 0.00 -1.41 0.00 0.00 57.07 55.97 1ujt s TYR 52 Cb -0.21 0.24 0.08 0.00 -1.10 0.00 0.00 41.96 40.97 1ujt s TYR 52 CO 0.27 -0.64 0.78 -0.98 -2.51 0.00 0.00 175.55 172.47 1ujt s ARG 53 N -3.12 1.08 0.12 -3.49 1.70 -1.14 -0.59 118.95 113.52 1ujt s ARG 53 Ca -0.01 -0.44 -0.20 0.00 -0.47 0.00 0.00 55.73 54.60 1ujt s ARG 53 Cb 0.01 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.78 1ujt s ARG 53 CO -0.07 -0.48 0.64 -1.14 -1.08 0.00 0.00 175.30 173.17 1ujt s GLN 54 N -3.41 4.27 -0.25 3.89 0.74 -1.26 -2.32 119.66 121.32 1ujt s GLN 54 Ca 0.05 0.83 -0.00 0.00 0.05 0.00 0.00 55.36 56.28 1ujt s GLN 54 Cb -0.01 -3.16 -0.15 0.00 1.10 0.00 0.00 33.01 30.79 1ujt s GLN 54 CO -0.08 0.57 -0.23 0.25 -0.55 0.00 0.00 175.29 175.25 1ujt n THR 55 N 1.44 1.40 -3.71 -0.34 -2.24 -1.00 -2.37 114.28 107.47 1ujt n THR 55 Ca -0.08 -0.51 -0.20 0.00 -2.27 0.00 0.00 64.05 61.00 1ujt n THR 55 Cb 0.50 -1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 67.29 1ujt n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ujt s SER 56 N -6.50 6.00 0.00 3.42 0.15 -1.26 -4.44 113.70 111.07 1ujt s SER 56 Ca -0.33 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1ujt s SER 56 Cb 0.09 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1ujt s SER 56 CO 0.55 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1ujt n GLY 57 N -1.51 -1.93 0.12 9.45 0.00 -1.26 -3.85 105.19 106.21 1ujt n GLY 57 Ca -0.04 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 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 0.43 -1.66 0.99 7.12 -1.99 -3.29 115.31 116.91 1ujt h LEU 58 Ca 0.00 -0.89 0.00 0.00 0.13 0.00 0.00 57.88 57.12 1ujt h LEU 58 Cb 0.00 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 39.99 1ujt h LEU 58 CO 0.00 1.56 0.01 1.56 -0.13 0.00 0.00 178.44 181.44 1ujt h GLN 59 N -0.30 0.00 -7.36 1.25 1.08 -1.96 -3.43 115.11 104.40 1ujt h GLN 59 Ca -0.26 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.50 1ujt h GLN 59 Cb 1.75 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 29.35 1ujt h GLN 59 CO 0.10 0.00 0.17 0.00 -0.95 0.00 0.00 178.83 178.15 1ujt s ALA 60 N -3.64 0.79 -0.78 3.87 0.00 -1.24 -3.46 121.76 117.31 1ujt s ALA 60 Ca -0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 1ujt s ALA 60 Cb 0.07 -3.08 0.10 0.00 0.00 0.00 0.00 23.12 20.21 1ujt s ALA 60 CO 0.23 -3.03 0.25 -2.37 0.00 0.00 0.00 175.76 170.83 1ujt n THR 61 N -4.32 0.00 -0.10 0.00 5.66 -1.00 -4.70 114.28 109.82 1ujt n THR 61 Ca 0.06 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.85 1ujt n THR 61 Cb 0.58 -0.21 -0.07 0.00 -1.55 0.00 0.00 70.33 69.08 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 -1.47 1.68 -3.63 1.09 2.88 -1.22 -5.09 113.62 107.86 1ujt n SER 62 Ca 0.05 0.29 -0.06 0.00 -1.33 0.00 0.00 58.87 57.82 1ujt n SER 62 Cb 0.37 -0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 1ujt n SER 62 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujt s SER 63 N -6.81 -0.20 0.39 -3.46 0.15 -1.26 -5.17 113.70 97.34 1ujt s SER 63 Ca -0.31 0.31 -0.18 0.00 0.70 0.00 0.00 55.95 56.47 1ujt s SER 63 Cb 0.10 0.28 -0.10 0.00 -1.71 0.00 0.00 66.02 64.60 1ujt s SER 63 CO 0.40 -0.12 0.86 0.26 1.20 0.00 0.00 173.24 175.83 1ujt s TRP 64 N -0.48 3.35 0.36 3.44 0.52 -1.26 -4.76 118.94 120.10 1ujt s TRP 64 Ca 0.05 1.42 0.08 0.00 0.02 0.00 0.00 56.10 57.67 1ujt s TRP 64 Cb -0.03 -2.70 -0.05 0.00 -1.15 0.00 0.00 33.47 29.54 1ujt s TRP 64 CO -0.08 -0.05 0.13 -0.65 0.02 0.00 0.00 176.95 176.33 1ujt s GLN 65 N -3.20 2.29 -0.03 4.98 -0.21 0.24 -4.97 119.66 118.77 1ujt s GLN 65 Ca 0.58 -1.64 -0.01 0.00 0.02 0.00 0.00 55.36 54.31 1ujt s GLN 65 Cb -0.10 -2.10 0.03 0.00 1.00 0.00 0.00 33.01 31.85 1ujt s GLN 65 CO 0.17 0.06 0.04 -0.80 -2.12 0.00 0.00 175.29 172.64 1ujt s ASN 66 N -3.84 0.61 -0.46 5.90 -0.87 -1.26 -2.19 114.94 112.82 1ujt s ASN 66 Ca 0.38 0.06 0.01 0.00 -1.57 0.00 0.00 52.86 51.74 1ujt s ASN 66 Cb -0.01 -0.11 0.12 0.00 -0.02 0.00 0.00 41.25 41.24 1ujt s ASN 66 CO 0.22 -0.19 0.22 -0.22 -2.57 0.00 0.00 177.10 174.57 1ujt s LEU 67 N 1.61 4.81 -0.07 0.60 2.96 -0.84 -4.95 118.68 122.81 1ujt s LEU 67 Ca -0.02 -2.54 -0.30 0.00 -0.22 0.00 0.00 54.13 51.05 1ujt s LEU 67 Cb -0.13 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1ujt s LEU 67 CO -0.03 -0.36 1.34 -1.81 -1.32 0.00 0.00 176.35 174.17 1ujt s ASP 68 N 0.66 6.91 0.14 3.68 1.01 -1.26 -2.15 116.67 125.66 1ujt s ASP 68 Ca 0.13 1.92 0.07 0.00 0.71 0.00 0.00 52.55 55.38 1ujt s ASP 68 Cb -0.22 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.04 1ujt s ASP 68 CO -0.04 -0.72 1.32 0.00 0.21 0.00 0.00 175.17 175.94 1ujt h ALA 69 N 8.07 0.43 -2.88 5.23 0.00 -1.80 -3.48 119.26 124.83 1ujt h ALA 69 Ca -0.34 -0.85 -0.41 0.00 0.00 0.00 0.00 54.91 53.31 1ujt h ALA 69 Cb 1.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1ujt h ALA 69 CO 0.92 1.15 -0.53 1.63 0.00 0.00 0.00 179.25 182.43 1ujt n LYS 70 N -3.44 -1.64 -3.34 0.00 4.01 -1.26 -4.96 118.16 107.53 1ujt n LYS 70 Ca -0.01 1.01 -0.07 0.00 -0.51 0.00 0.00 58.31 58.73 1ujt n LYS 70 Cb 0.89 -5.65 -0.07 0.00 -0.51 0.00 0.00 35.03 29.69 1ujt n LYS 70 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1ujt s VAL 71 N -3.02 -0.67 0.21 -0.18 1.01 -1.26 -4.94 120.40 111.54 1ujt s VAL 71 Ca 0.00 -0.04 0.25 0.00 0.00 0.00 0.00 61.98 62.19 1ujt s VAL 71 Cb 0.00 -0.84 0.26 0.00 0.00 0.00 0.00 36.38 35.80 1ujt s VAL 71 CO 0.00 -0.09 1.90 1.55 0.00 0.00 0.00 175.10 178.46 1ujt h PRO 72 N 8.15 0.00 0.04 2.72 0.13 -1.82 -2.95 132.00 138.27 1ujt h PRO 72 Ca -0.20 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.71 1ujt h PRO 72 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1ujt h PRO 72 CO 0.26 0.19 -1.03 1.79 -0.23 0.00 0.00 178.00 178.98 1ujt h THR 73 N 0.00 1.57 -3.27 1.56 1.35 -1.95 -3.43 112.91 108.74 1ujt h THR 73 Ca -0.00 -3.03 -0.57 0.00 -0.55 0.00 0.00 66.41 62.26 1ujt h THR 73 Cb 0.63 2.75 -0.05 0.00 -1.73 0.00 0.00 68.15 69.74 1ujt h THR 73 CO 0.02 0.88 0.97 -1.61 -0.25 0.00 0.00 175.52 175.53 1ujt s GLU 74 N -2.87 3.84 -0.51 4.72 2.02 -1.11 -4.89 118.70 119.90 1ujt s GLU 74 Ca -0.02 1.07 0.02 0.00 0.02 0.00 0.00 54.97 56.07 1ujt s GLU 74 Cb 0.09 -3.89 0.54 0.00 0.10 0.00 0.00 34.13 30.97 1ujt s GLU 74 CO 0.84 -1.21 1.85 0.54 0.02 0.00 0.00 175.26 177.30 1ujt n ARG 75 N 7.48 2.50 -3.49 1.61 3.00 -1.26 -4.90 116.66 121.59 1ujt n ARG 75 Ca 0.14 -3.25 -0.16 0.00 -0.01 0.00 0.00 57.85 54.58 1ujt n ARG 75 Cb 0.47 -2.19 -0.05 0.00 0.00 0.00 0.00 32.46 30.70 1ujt n ARG 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ujt s SER 76 N -1.88 -0.61 0.12 0.55 0.15 -1.26 -1.87 113.70 108.89 1ujt s SER 76 Ca 0.58 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1ujt s SER 76 Cb 0.48 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 65.29 1ujt s SER 76 CO 0.04 -0.70 0.00 0.00 1.20 0.00 0.00 173.24 173.78 1ujt s ALA 77 N -1.97 0.91 -0.28 5.45 0.00 0.20 -4.98 121.76 121.09 1ujt s ALA 77 Ca -0.07 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1ujt s ALA 77 Cb -0.00 0.53 0.08 0.00 0.00 0.00 0.00 23.12 23.73 1ujt s ALA 77 CO 0.02 -0.38 0.04 0.08 0.00 0.00 0.00 175.76 175.53 1ujt s VAL 78 N -3.85 1.25 -0.35 0.00 1.01 -1.26 -0.29 120.40 116.91 1ujt s VAL 78 Ca 0.18 -1.41 -0.27 0.00 0.00 0.00 0.00 61.98 60.48 1ujt s VAL 78 Cb 0.07 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1ujt s VAL 78 CO -0.02 -0.45 0.96 -0.76 0.00 0.00 0.00 175.10 174.83 1ujt s LEU 79 N 1.46 3.98 0.00 3.92 1.43 0.50 -4.91 118.68 125.06 1ujt s LEU 79 Ca 0.04 0.73 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1ujt s LEU 79 Cb -0.18 -3.33 0.05 0.00 0.03 0.00 0.00 46.19 42.76 1ujt s LEU 79 CO -0.15 -0.84 0.39 1.33 0.23 0.00 0.00 176.35 177.31 1ujt n VAL 80 N 5.91 0.00 -3.99 -1.59 0.24 -1.26 -0.41 118.33 117.23 1ujt n VAL 80 Ca 0.08 -1.04 -0.28 0.00 -2.04 0.00 0.00 64.34 61.06 1ujt n VAL 80 Cb 0.48 -0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 32.15 1ujt n VAL 80 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ujt n ASN 81 N -2.54 -0.77 -4.85 -1.34 0.23 -0.80 -4.89 115.26 100.31 1ujt n ASN 81 Ca 0.07 -1.07 -0.29 0.00 -0.53 0.00 0.00 54.58 52.76 1ujt n ASN 81 Cb 0.32 -2.77 -0.05 0.00 -2.08 0.00 0.00 39.78 35.19 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1ujt s LEU 82 N -7.01 4.07 0.46 -4.53 1.43 -0.52 -5.04 118.68 107.54 1ujt s LEU 82 Ca 0.07 0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 1ujt s LEU 82 Cb -0.03 -2.70 -0.08 0.00 0.03 0.00 0.00 46.19 43.41 1ujt s LEU 82 CO 0.91 0.13 1.07 -0.75 0.23 0.00 0.00 176.35 177.94 1ujt s LYS 83 N -2.69 3.85 -0.18 1.70 2.36 -1.26 -4.34 119.74 119.18 1ujt s LYS 83 Ca 0.32 1.49 -0.14 0.00 -2.55 0.00 0.00 55.97 55.10 1ujt s LYS 83 Cb -0.12 -2.26 -0.04 0.00 -1.05 0.00 0.00 37.83 34.36 1ujt s LYS 83 CO 0.25 -0.41 0.31 0.15 1.55 0.00 0.00 175.35 177.20 1ujt s LYS 84 N -2.95 4.22 0.00 4.03 1.02 -1.23 -4.52 119.74 120.31 1ujt s LYS 84 Ca 0.65 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1ujt s LYS 84 Cb -0.21 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1ujt s LYS 84 CO 0.25 0.14 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1ujt n GLY 85 N 3.63 0.74 3.62 -3.33 0.00 0.18 -4.91 105.19 105.11 1ujt n GLY 85 Ca -0.11 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.92 0.00 0.07 1.61 0.11 -1.20 -4.98 120.40 113.09 1ujt s VAL 86 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 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 0.72 -0.89 -3.33 0.00 0.00 175.10 171.60 1ujt s THR 87 N -0.81 4.68 -0.09 5.04 2.01 -1.26 -2.15 115.64 123.05 1ujt s THR 87 Ca 0.04 1.55 0.04 0.00 0.31 0.00 0.00 61.69 63.63 1ujt s THR 87 Cb -0.02 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.42 1ujt s THR 87 CO -0.05 0.43 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.77 1ujt s TYR 88 N -0.42 2.40 -0.33 4.92 2.02 -0.54 -2.36 117.35 123.04 1ujt s TYR 88 Ca 0.36 -0.96 -0.16 0.00 -0.37 0.00 0.00 57.07 55.94 1ujt s TYR 88 Cb -0.21 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1ujt s TYR 88 CO 0.22 -0.39 0.40 -2.00 -1.57 0.00 0.00 175.55 172.22 1ujt s GLU 89 N 0.34 3.68 0.06 -0.62 2.12 -0.98 -0.19 118.70 123.11 1ujt s GLU 89 Ca -0.17 -0.25 0.07 0.00 0.36 0.00 0.00 54.97 54.98 1ujt s GLU 89 Cb -0.17 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 1ujt s GLU 89 CO 0.08 -0.50 -0.19 0.42 -0.54 0.00 0.00 175.26 174.53 1ujt s ILE 90 N 2.13 1.52 -0.04 -3.70 1.09 -0.16 -2.88 121.20 119.15 1ujt s ILE 90 Ca 0.14 -1.23 -0.04 0.00 -1.10 0.00 0.00 60.65 58.42 1ujt s ILE 90 Cb -0.16 -1.35 0.01 0.00 -1.06 0.00 0.00 42.46 39.90 1ujt s ILE 90 CO 0.12 0.08 0.12 -1.59 -0.10 0.00 0.00 174.94 173.57 1ujt s LYS 91 N -1.36 0.17 -0.03 2.79 0.00 -1.08 -1.05 119.74 119.19 1ujt s LYS 91 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 55.97 56.14 1ujt s LYS 91 Cb -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 37.83 37.78 1ujt s LYS 91 CO 0.02 -0.02 0.07 0.08 0.00 0.00 0.00 175.35 175.50 1ujt s VAL 92 N -0.05 4.71 -0.26 1.79 1.01 -1.26 -3.33 120.40 122.99 1ujt s VAL 92 Ca -0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 1ujt s VAL 92 Cb -0.01 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.32 1ujt s VAL 92 CO 0.00 0.41 0.66 0.00 0.00 0.00 0.00 175.10 176.17 1ujt s ARG 93 N -1.54 0.70 -0.08 2.72 1.70 -1.24 -0.79 118.95 120.41 1ujt s ARG 93 Ca 0.21 1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 56.27 1ujt s ARG 93 Cb -0.12 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1ujt s ARG 93 CO 0.11 -0.14 1.51 -1.25 -1.08 0.00 0.00 175.30 174.46 1ujt s PRO 94 N 1.27 4.21 0.09 3.89 0.04 -1.26 -2.90 135.00 140.34 1ujt s PRO 94 Ca -0.07 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1ujt s PRO 94 Cb -0.05 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 1ujt s PRO 94 CO -0.14 -0.78 -0.22 1.52 0.04 0.00 0.00 177.00 177.43 1ujt s TYR 95 N 3.71 1.85 -0.02 0.56 -0.85 -1.26 0.63 117.35 121.98 1ujt s TYR 95 Ca 0.67 -0.41 -0.02 0.00 -0.52 0.00 0.00 57.07 56.80 1ujt s TYR 95 Cb -0.30 -1.03 -0.01 0.00 0.38 0.00 0.00 41.96 41.01 1ujt s TYR 95 CO 0.25 0.20 -0.03 0.34 -1.52 0.00 0.00 175.55 174.78 1ujt n PHE 96 N 1.22 0.00 0.00 -3.49 -0.00 -1.20 -2.97 117.46 111.01 1ujt n PHE 96 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.26 1ujt n PHE 96 Cb 0.53 -0.04 0.00 0.00 -0.00 0.00 0.00 39.48 39.97 1ujt n PHE 96 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1ujt n ASN 97 N -2.69 0.00 -0.04 -2.13 2.85 -1.26 -4.33 115.26 107.66 1ujt n ASN 97 Ca -0.01 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.40 1ujt n ASN 97 Cb 0.05 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.02 1ujt n ASN 97 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1ujt n GLU 98 N -2.26 1.36 -2.30 1.20 0.28 -1.26 -5.03 120.64 112.64 1ujt n GLU 98 Ca 0.00 0.03 -0.32 0.00 -0.16 0.00 0.00 57.16 56.71 1ujt n GLU 98 Cb 0.00 -1.19 -0.02 0.00 1.43 0.00 0.00 31.44 31.66 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 -2.18 3.32 0.23 -1.84 -0.71 -1.26 -5.08 117.98 110.46 1ujt s PHE 99 Ca -0.09 1.48 0.11 0.00 -1.04 0.00 0.00 56.93 57.39 1ujt s PHE 99 Cb 0.03 -2.86 -0.05 0.00 -1.21 0.00 0.00 43.02 38.94 1ujt s PHE 99 CO 0.26 -0.58 -0.20 -0.65 -1.34 0.00 0.00 175.22 172.70 1ujt s GLN 100 N -4.06 1.53 0.00 1.99 1.11 -1.26 -3.26 119.66 115.70 1ujt s GLN 100 Ca 0.60 -1.64 0.00 0.00 0.01 0.00 0.00 55.36 54.34 1ujt s GLN 100 Cb -0.12 -1.61 0.00 0.00 -1.01 0.00 0.00 33.01 30.27 1ujt s GLN 100 CO 0.33 0.31 0.00 0.41 0.01 0.00 0.00 175.29 176.35 1ujt n GLY 101 N -0.26 1.07 3.70 3.09 0.00 0.20 -4.94 105.19 108.06 1ujt n GLY 101 Ca -0.08 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1ujt n GLY 101 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ujt s MET 102 N 1.96 4.38 -0.45 1.61 -1.94 -1.25 -4.77 119.30 118.83 1ujt s MET 102 Ca 0.00 1.81 -0.28 0.00 -1.71 0.00 0.00 55.69 55.51 1ujt s MET 102 Cb 0.00 -3.42 0.03 0.00 2.01 0.00 0.00 34.83 33.44 1ujt s MET 102 CO 0.00 -0.37 1.05 0.16 -0.01 0.00 0.00 175.02 175.85 1ujt s ASP 103 N 1.30 6.62 0.59 3.03 1.47 -1.26 -4.35 116.67 124.08 1ujt s ASP 103 Ca 0.59 0.43 -0.18 0.00 1.18 0.00 0.00 52.55 54.57 1ujt s ASP 103 Cb -0.29 -2.51 -0.06 0.00 -0.34 0.00 0.00 42.92 39.72 1ujt s ASP 103 CO 0.27 -1.12 0.82 -1.54 0.68 0.00 0.00 175.17 174.28 1ujt n SER 104 N 7.46 0.17 -4.49 2.11 3.41 0.03 -4.63 113.62 117.67 1ujt n SER 104 Ca 0.10 0.78 -0.41 0.00 -0.26 0.00 0.00 58.87 59.08 1ujt n SER 104 Cb 0.49 -1.32 -0.14 0.00 -0.26 0.00 0.00 64.21 62.98 1ujt n SER 104 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1ujt n GLU 105 N -0.71 0.12 -1.51 4.33 0.00 -1.26 -4.52 120.64 117.08 1ujt n GLU 105 Ca 0.13 0.00 -0.63 0.00 0.00 0.00 0.00 57.16 56.66 1ujt n GLU 105 Cb 0.47 -1.71 -0.10 0.00 0.00 0.00 0.00 31.44 30.09 1ujt n GLU 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1ujt n SER 106 N 10.95 1.00 -4.98 -1.84 3.41 -1.26 -4.91 113.62 115.99 1ujt n SER 106 Ca 0.62 0.97 -0.20 0.00 -0.26 0.00 0.00 58.87 59.99 1ujt n SER 106 Cb 0.08 -0.86 -0.01 0.00 -0.26 0.00 0.00 64.21 63.17 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 4.00 3.25 -0.08 4.33 -0.14 -0.21 -4.91 119.74 125.98 1ujt s LYS 107 Ca 1.07 -0.82 0.04 0.00 -1.36 0.00 0.00 55.97 54.90 1ujt s LYS 107 Cb -1.45 -2.80 0.00 0.00 -1.68 0.00 0.00 37.83 31.90 1ujt s LYS 107 CO 0.74 0.16 -0.20 0.95 -0.76 0.00 0.00 175.35 176.23 1ujt s THR 108 N -2.16 1.74 -0.29 2.17 -4.23 -1.26 -0.99 115.64 110.62 1ujt s THR 108 Ca 0.41 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1ujt s THR 108 Cb -0.09 -1.51 0.06 0.00 1.34 0.00 0.00 72.50 72.29 1ujt s THR 108 CO 0.31 0.49 -0.04 0.54 -0.54 0.00 0.00 174.62 175.39 1ujt s VAL 109 N 0.34 2.62 -0.43 2.29 0.11 0.74 -4.84 120.40 121.23 1ujt s VAL 109 Ca -0.14 -1.56 -0.24 0.00 -2.93 0.00 0.00 61.98 57.10 1ujt s VAL 109 Cb -0.16 -2.55 0.02 0.00 -1.53 0.00 0.00 36.38 32.16 1ujt s VAL 109 CO 0.06 -0.12 0.85 -0.60 -3.33 0.00 0.00 175.10 171.96 1ujt s ARG 110 N 1.17 3.55 -0.57 1.54 3.52 -1.26 -1.46 118.95 125.43 1ujt s ARG 110 Ca -0.05 0.12 -0.26 0.00 -0.13 0.00 0.00 55.73 55.40 1ujt s ARG 110 Cb -0.20 -3.90 0.04 0.00 -1.56 0.00 0.00 34.95 29.33 1ujt s ARG 110 CO -0.03 -1.09 1.08 0.95 -0.81 0.00 0.00 175.30 175.40 1ujt s THR 111 N 3.44 4.18 1.09 4.11 -4.23 -0.92 -4.94 115.64 118.37 1ujt s THR 111 Ca 0.33 0.61 -0.21 0.00 -1.18 0.00 0.00 61.69 61.24 1ujt s THR 111 Cb -0.12 -4.65 0.04 0.00 1.34 0.00 0.00 72.50 69.11 1ujt s THR 111 CO 0.23 -1.26 -0.37 1.07 -0.54 0.00 0.00 174.62 173.75 1ujt n THR 112 N 6.45 0.00 0.00 3.99 5.66 -1.26 0.49 114.28 129.60 1ujt n THR 112 Ca 0.05 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1ujt n THR 112 Cb 0.48 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1ujt n THR 112 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ujt n GLU 113 N -0.97 2.61 -3.64 1.09 0.28 -1.26 -3.03 120.64 115.72 1ujt n GLU 113 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 1ujt n GLU 113 Cb 0.65 -0.84 -0.07 0.00 1.43 0.00 0.00 31.44 32.61 1ujt n GLU 113 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1ujt s GLU 114 N -1.64 4.18 0.10 3.44 2.12 -1.26 -4.99 118.70 120.65 1ujt s GLU 114 Ca 0.00 -0.05 -0.06 0.00 0.36 0.00 0.00 54.97 55.22 1ujt s GLU 114 Cb 0.00 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 1ujt s GLU 114 CO 0.00 0.30 0.36 0.45 -0.54 0.00 0.00 175.26 175.83 1ujt s SER 115 N 0.32 6.52 0.00 -1.70 0.15 -1.26 -4.77 113.70 112.95 1ujt s SER 115 Ca 0.13 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1ujt s SER 115 Cb -0.12 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1ujt s SER 115 CO 0.01 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1ujt n GLY 116 N 0.46 1.25 3.73 9.45 0.00 -1.26 -5.10 105.19 113.72 1ujt n GLY 116 Ca -0.05 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 4.36 -0.21 1.61 0.04 -1.26 -5.02 135.00 134.52 1ujt s PRO 117 Ca 0.00 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 1ujt s PRO 117 Cb 0.00 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 31.40 1ujt s PRO 117 CO 0.00 -0.34 0.17 0.45 0.04 0.00 0.00 177.00 177.32 1ujt s SER 118 N 0.74 2.03 0.66 6.66 0.15 -1.26 -5.12 113.70 117.55 1ujt s SER 118 Ca 0.60 -0.54 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 1ujt s SER 118 Cb -0.36 0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1ujt s SER 118 CO 0.34 -0.35 1.10 -0.55 1.20 0.00 0.00 173.24 174.98 1ujt s SER 119 N 2.23 5.15 0.00 5.45 0.15 -1.26 -5.33 113.70 120.09 1ujt s SER 119 Ca 0.06 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.68 1ujt s SER 119 Cb -0.16 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1ujt s SER 119 CO -0.16 -1.60 0.00 0.61 1.20 0.00 0.00 173.24 173.29