#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 -0.90 -0.13 1.61 0.15 -1.26 -5.06 113.70 108.11 1ujt s SER 2 Ca 0.00 1.45 -0.23 0.00 0.70 0.00 0.00 55.95 57.87 1ujt s SER 2 Cb 0.00 1.37 -0.26 0.00 -1.71 0.00 0.00 66.02 65.43 1ujt s SER 2 CO 0.00 -0.23 0.62 0.28 1.20 0.00 0.00 173.24 175.11 1ujt h SER 3 N 6.81 0.16 -1.88 5.45 0.02 -2.15 -3.49 113.55 118.47 1ujt h SER 3 Ca -0.30 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 59.80 1ujt h SER 3 Cb 1.22 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ujt h SER 3 CO 0.16 1.32 0.00 0.61 -1.14 0.00 0.00 176.83 177.77 1ujt n GLY 4 N 1.61 0.88 3.41 -3.77 0.00 -1.26 -5.01 105.19 101.04 1ujt n GLY 4 Ca -0.19 -0.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.92 1ujt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujt s SER 5 N -2.62 6.85 0.22 1.61 1.04 -1.26 -4.99 113.70 114.55 1ujt s SER 5 Ca 0.00 -2.61 0.02 0.00 0.48 0.00 0.00 55.95 53.84 1ujt s SER 5 Cb 0.00 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1ujt s SER 5 CO 0.00 -0.77 0.02 -0.94 0.98 0.00 0.00 173.24 172.54 1ujt s SER 6 N 2.77 1.51 0.00 7.02 1.04 -1.26 -4.87 113.70 119.91 1ujt s SER 6 Ca 0.30 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1ujt s SER 6 Cb -0.06 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1ujt s SER 6 CO -0.07 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1ujt n GLY 7 N -0.38 2.61 0.15 7.32 0.00 -1.26 -4.87 105.19 108.75 1ujt n GLY 7 Ca -0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 1ujt n GLY 7 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ujt h ARG 8 N 0.00 0.16 -0.80 1.61 -0.00 -2.02 -2.92 114.38 110.41 1ujt h ARG 8 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 59.98 59.85 1ujt h ARG 8 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 1ujt h ARG 8 CO 0.00 0.79 0.00 0.94 -0.00 0.00 0.00 179.97 181.70 1ujt n GLN 9 N -3.78 1.60 0.09 0.08 7.27 -1.26 -4.12 117.38 117.27 1ujt n GLN 9 Ca -0.02 -0.52 -0.13 0.00 0.07 0.00 0.00 57.00 56.40 1ujt n GLN 9 Cb 0.68 -1.54 -0.08 0.00 2.41 0.00 0.00 30.24 31.70 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 0.69 0.95 0.00 1.69 3.04 -1.93 0.10 116.25 120.79 1ujt h VAL 10 Ca 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1ujt h VAL 10 Cb 0.66 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1ujt h VAL 10 CO 0.07 0.14 0.00 0.00 -1.01 0.00 0.00 177.57 176.77 1ujt n GLN 11 N -5.05 0.04 -0.13 4.17 6.02 -1.26 -0.37 117.38 120.80 1ujt n GLN 11 Ca -0.09 0.31 -0.25 0.00 -0.01 0.00 0.00 57.00 56.96 1ujt n GLN 11 Cb 0.22 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.40 0.57 -0.03 -1.09 3.00 -0.97 -4.52 118.16 113.72 1ujt n LYS 12 Ca 0.02 0.31 -0.13 0.00 -0.00 0.00 0.00 58.31 58.51 1ujt n LYS 12 Cb 0.06 -1.52 -0.10 0.00 0.00 0.00 0.00 35.03 33.47 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 -1.00 0.07 0.00 1.64 4.57 -0.59 -3.12 114.58 116.15 1ujt h GLU 13 Ca -0.54 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 1ujt h GLU 13 Cb 1.46 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 1ujt h GLU 13 CO -0.33 0.64 0.00 -0.11 -1.18 0.00 0.00 179.01 178.03 1ujt n LEU 14 N -4.74 0.00 -0.32 1.64 7.94 0.50 0.41 117.00 122.43 1ujt n LEU 14 Ca -0.08 0.46 0.08 0.00 -1.11 0.00 0.00 56.01 55.36 1ujt n LEU 14 Cb 0.32 -0.15 0.24 0.00 0.53 0.00 0.00 43.42 44.36 1ujt n LEU 14 CO 0.35 -0.15 1.15 1.23 -1.11 0.00 0.00 177.39 178.86 1ujt h GLY 15 N 0.00 1.51 0.21 -3.96 0.00 -1.79 -2.57 103.07 96.48 1ujt h GLY 15 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1ujt h GLY 15 CO 0.00 0.02 -0.52 -1.80 0.00 0.00 0.00 176.54 174.24 1ujt h ASP 16 N 0.75 -1.54 -0.68 0.19 1.82 0.03 -3.43 116.42 113.57 1ujt h ASP 16 Ca 0.49 0.15 -0.58 0.00 -0.39 0.00 0.00 57.03 56.70 1ujt h ASP 16 Cb 0.64 0.56 0.01 0.00 0.68 0.00 0.00 39.33 41.22 1ujt h ASP 16 CO -0.33 -0.58 0.37 0.52 -1.61 0.00 0.00 179.24 177.61 1ujt n VAL 17 N -5.50 0.00 -3.74 2.25 0.31 0.93 -4.88 118.33 107.70 1ujt n VAL 17 Ca -0.09 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.86 1ujt n VAL 17 Cb 0.42 -0.26 -0.12 0.00 -0.91 0.00 0.00 33.84 32.98 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 1.57 4.83 0.10 7.52 0.20 -1.26 -4.65 118.68 126.99 1ujt s LEU 18 Ca 0.69 -1.58 -0.26 0.00 0.69 0.00 0.00 54.13 53.67 1ujt s LEU 18 Cb -0.98 -1.87 -0.06 0.00 -0.43 0.00 0.00 46.19 42.85 1ujt s LEU 18 CO 0.52 -0.46 0.81 -0.69 -0.29 0.00 0.00 176.35 176.24 1ujt s VAL 19 N 1.30 4.55 -0.44 1.68 1.01 -1.26 -3.11 120.40 124.12 1ujt s VAL 19 Ca 0.02 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.78 1ujt s VAL 19 Cb -0.22 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.11 1ujt s VAL 19 CO -0.00 0.41 0.20 -0.13 0.00 0.00 0.00 175.10 175.57 1ujt s ARG 20 N -0.42 1.88 -0.69 2.72 0.52 0.06 -4.71 118.95 118.32 1ujt s ARG 20 Ca 0.39 -2.16 -0.27 0.00 -0.52 0.00 0.00 55.73 53.17 1ujt s ARG 20 Cb -0.22 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.87 1ujt s ARG 20 CO 0.26 -1.05 1.46 -1.17 0.02 0.00 0.00 175.30 174.81 1ujt s LEU 21 N 0.50 3.21 0.00 2.53 2.96 -1.26 -2.62 118.68 124.00 1ujt s LEU 21 Ca 0.13 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1ujt s LEU 21 Cb -0.22 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 43.89 1ujt s LEU 21 CO -0.04 -1.99 0.75 1.41 -1.32 0.00 0.00 176.35 175.16 1ujt n HIS 22 N 10.37 0.00 -3.65 5.38 8.25 -1.24 -4.95 115.22 129.39 1ujt n HIS 22 Ca 0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.52 1ujt n HIS 22 Cb 0.50 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 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 -2.01 -0.21 -1.08 0.41 4.22 -1.26 -5.08 114.94 109.92 1ujt s ASN 23 Ca 0.00 0.37 -0.23 0.00 -2.14 0.00 0.00 52.86 50.85 1ujt s ASN 23 Cb 0.00 0.73 -0.07 0.00 1.28 0.00 0.00 41.25 43.18 1ujt s ASN 23 CO 0.00 -0.06 1.94 -2.16 -2.04 0.00 0.00 177.10 174.78 1ujt s PRO 24 N 0.62 2.52 -0.35 3.55 0.04 -1.26 -4.47 135.00 135.64 1ujt s PRO 24 Ca -0.01 -0.85 -0.29 0.00 0.04 0.00 0.00 61.00 59.88 1ujt s PRO 24 Cb -0.04 -5.18 -0.08 0.00 0.04 0.00 0.00 34.50 29.24 1ujt s PRO 24 CO -0.12 -3.76 2.29 0.28 0.04 0.00 0.00 177.00 175.72 1ujt n VAL 25 N 7.83 0.18 -2.23 -0.36 0.31 -0.44 -4.75 118.33 118.87 1ujt n VAL 25 Ca 0.43 -0.48 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 1ujt n VAL 25 Cb 0.47 -2.32 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 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 9.14 3.82 -0.13 2.52 0.11 -1.26 -1.69 120.40 132.91 1ujt s VAL 26 Ca 1.04 0.90 -0.12 0.00 -2.93 0.00 0.00 61.98 60.86 1ujt s VAL 26 Cb -0.46 -3.92 -0.26 0.00 -1.53 0.00 0.00 36.38 30.22 1ujt s VAL 26 CO 0.37 -0.46 0.41 -0.07 -3.33 0.00 0.00 175.10 172.02 1ujt h LEU 27 N 11.88 0.35 -7.85 2.54 3.38 -1.90 -3.48 115.31 120.24 1ujt h LEU 27 Ca -0.30 -0.85 -0.09 0.00 0.09 0.00 0.00 57.88 56.73 1ujt h LEU 27 Cb 1.13 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 1ujt h LEU 27 CO 1.03 1.73 -0.38 0.42 0.09 0.00 0.00 178.44 181.34 1ujt s THR 28 N -2.50 0.14 -2.00 0.22 -4.23 -0.35 -4.94 115.64 101.98 1ujt s THR 28 Ca -0.22 -1.22 0.11 0.00 -1.18 0.00 0.00 61.69 59.18 1ujt s THR 28 Cb 0.06 -1.40 0.32 0.00 1.34 0.00 0.00 72.50 72.83 1ujt s THR 28 CO 0.74 -0.63 1.11 -0.81 -0.54 0.00 0.00 174.62 174.50 1ujt n PRO 29 N -0.07 0.49 0.00 3.99 -0.04 -1.26 -1.96 135.00 136.15 1ujt n PRO 29 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1ujt n PRO 29 Cb 0.62 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -3.60 0.52 -2.24 -1.26 -3.29 114.28 103.54 1ujt n THR 30 Ca 0.09 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1ujt n THR 30 Cb 0.04 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.17 0.00 0.01 4.28 2.01 -0.83 -2.02 115.64 118.92 1ujt s THR 31 Ca 0.00 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1ujt s THR 31 Cb 0.00 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1ujt s THR 31 CO 0.00 -0.01 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.15 1ujt s VAL 32 N -0.31 0.58 -0.21 3.82 1.01 -0.93 -1.21 120.40 123.14 1ujt s VAL 32 Ca -0.05 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1ujt s VAL 32 Cb -0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1ujt s VAL 32 CO 0.05 0.03 0.21 -1.58 0.00 0.00 0.00 175.10 173.81 1ujt s GLN 33 N -0.52 4.15 -0.16 2.72 0.74 -0.68 -2.01 119.66 123.90 1ujt s GLN 33 Ca 0.00 -0.12 -0.00 0.00 0.05 0.00 0.00 55.36 55.28 1ujt s GLN 33 Cb -0.04 -3.49 -0.00 0.00 1.10 0.00 0.00 33.01 30.57 1ujt s GLN 33 CO 0.00 0.14 -0.13 0.08 -0.55 0.00 0.00 175.29 174.83 1ujt s VAL 34 N 0.81 2.82 0.11 1.34 1.01 -0.37 -1.32 120.40 124.80 1ujt s VAL 34 Ca 0.11 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1ujt s VAL 34 Cb -0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1ujt s VAL 34 CO 0.03 0.51 -0.25 -0.89 0.00 0.00 0.00 175.10 174.49 1ujt s THR 35 N 0.82 2.11 0.08 3.92 2.01 -1.26 -1.21 115.64 122.11 1ujt s THR 35 Ca -0.05 -1.64 -0.15 0.00 0.31 0.00 0.00 61.69 60.17 1ujt s THR 35 Cb -0.15 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.52 1ujt s THR 35 CO 0.00 0.11 0.35 -1.66 -0.69 0.00 0.00 174.62 172.73 1ujt s TRP 36 N -1.03 -0.14 -0.08 4.92 -2.14 -0.87 -3.61 118.94 115.99 1ujt s TRP 36 Ca 0.12 -0.07 0.02 0.00 2.66 0.00 0.00 56.10 58.82 1ujt s TRP 36 Cb -0.10 0.16 0.02 0.00 -3.10 0.00 0.00 33.47 30.45 1ujt s TRP 36 CO 0.05 -0.60 -0.11 0.95 -2.66 0.00 0.00 176.95 174.58 1ujt s THR 37 N -3.16 1.11 -0.25 0.66 -4.23 -1.08 -4.80 115.64 103.89 1ujt s THR 37 Ca -0.01 -0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1ujt s THR 37 Cb 0.01 -1.04 0.01 0.00 1.34 0.00 0.00 72.50 72.81 1ujt s THR 37 CO -0.07 0.36 -0.00 0.68 -0.54 0.00 0.00 174.62 175.04 1ujt s VAL 38 N 0.94 3.45 0.47 2.29 -7.23 -1.26 -0.76 120.40 118.30 1ujt s VAL 38 Ca -0.09 -0.71 0.17 0.00 -1.81 0.00 0.00 61.98 59.53 1ujt s VAL 38 Cb -0.15 -2.70 0.34 0.00 0.56 0.00 0.00 36.38 34.43 1ujt s VAL 38 CO 0.00 0.24 2.00 -0.78 -0.31 0.00 0.00 175.10 176.25 1ujt h ASP 39 N 8.13 0.24 -3.33 4.85 3.58 -1.95 -3.39 116.42 124.55 1ujt h ASP 39 Ca -0.35 0.01 -0.65 0.00 0.42 0.00 0.00 57.03 56.46 1ujt h ASP 39 Cb 1.13 -0.05 -0.24 0.00 1.72 0.00 0.00 39.33 41.90 1ujt h ASP 39 CO 0.59 0.15 -0.70 -0.13 -2.88 0.00 0.00 179.24 176.27 1ujt s ARG 40 N -5.27 3.55 -0.61 0.28 1.81 -1.26 -5.02 118.95 112.43 1ujt s ARG 40 Ca -0.07 -0.58 -0.13 0.00 -1.72 0.00 0.00 55.73 53.23 1ujt s ARG 40 Cb 0.19 -2.84 0.15 0.00 -0.45 0.00 0.00 34.95 32.00 1ujt s ARG 40 CO 0.74 0.17 0.53 -1.14 -0.68 0.00 0.00 175.30 174.92 1ujt s GLN 41 N 0.51 3.00 0.18 3.54 0.74 -1.26 -4.78 119.66 121.59 1ujt s GLN 41 Ca -0.05 -2.00 -0.30 0.00 0.05 0.00 0.00 55.36 53.06 1ujt s GLN 41 Cb -0.15 -4.20 -0.08 0.00 1.10 0.00 0.00 33.01 29.68 1ujt s GLN 41 CO 0.03 -1.27 1.32 -1.25 -0.55 0.00 0.00 175.29 173.57 1ujt s PRO 42 N 1.01 4.38 -0.06 1.67 0.04 -1.26 -4.95 135.00 135.83 1ujt s PRO 42 Ca 0.09 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 1ujt s PRO 42 Cb -0.23 -3.21 -0.30 0.00 0.04 0.00 0.00 34.50 30.80 1ujt s PRO 42 CO -0.02 -0.28 0.74 1.96 0.04 0.00 0.00 177.00 179.44 1ujt h GLN 43 N 5.67 0.32 -0.29 4.56 4.20 -2.00 -3.31 115.11 124.26 1ujt h GLN 43 Ca -0.44 -0.55 0.05 0.00 0.06 0.00 0.00 58.65 57.77 1ujt h GLN 43 Cb 1.21 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 1ujt h GLN 43 CO 0.79 1.26 0.20 0.27 -0.67 0.00 0.00 178.83 180.68 1ujt h PHE 44 N -0.22 0.16 -2.29 2.96 -0.00 -1.98 -3.44 116.94 112.12 1ujt h PHE 44 Ca -0.25 0.00 -0.60 0.00 -0.00 0.00 0.00 57.97 57.13 1ujt h PHE 44 Cb 1.81 -0.05 0.16 0.00 -0.00 0.00 0.00 35.95 37.87 1ujt h PHE 44 CO 0.15 0.09 -0.68 1.51 -0.00 0.00 0.00 178.31 179.37 1ujt n ILE 45 N -4.48 1.26 0.02 0.88 3.06 -1.25 -4.84 119.36 114.01 1ujt n ILE 45 Ca 0.03 -0.50 0.05 0.00 -2.50 0.00 0.00 62.75 59.83 1ujt n ILE 45 Cb 0.25 -0.34 -0.07 0.00 0.54 0.00 0.00 39.64 40.02 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 0.79 0.51 0.00 9.51 1.13 -1.14 -4.86 117.38 123.32 1ujt n GLN 46 Ca 0.11 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1ujt n GLN 46 Cb 0.43 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.58 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 1.93 -0.94 3.13 1.08 0.00 -1.21 -3.42 105.19 105.76 1ujt n GLY 47 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.67 -0.93 -0.45 1.61 2.02 -1.26 -4.10 117.35 110.57 1ujt s TYR 48 Ca 0.00 1.31 -0.25 0.00 -0.37 0.00 0.00 57.07 57.75 1ujt s TYR 48 Cb 0.00 0.24 0.03 0.00 -0.40 0.00 0.00 41.96 41.83 1ujt s TYR 48 CO 0.00 -0.63 0.92 0.50 -1.57 0.00 0.00 175.55 174.77 1ujt s ARG 49 N 2.63 3.58 -0.53 -0.62 6.06 -0.94 -2.50 118.95 126.63 1ujt s ARG 49 Ca 0.06 0.22 -0.13 0.00 -2.50 0.00 0.00 55.73 53.39 1ujt s ARG 49 Cb -0.14 -3.91 0.13 0.00 0.06 0.00 0.00 34.95 31.10 1ujt s ARG 49 CO -0.15 -1.18 0.45 0.08 -2.50 0.00 0.00 175.30 172.00 1ujt s VAL 50 N 3.71 4.83 0.03 7.11 1.01 -1.08 -2.82 120.40 133.20 1ujt s VAL 50 Ca 0.37 -1.67 -0.25 0.00 0.00 0.00 0.00 61.98 60.43 1ujt s VAL 50 Cb -0.10 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1ujt s VAL 50 CO 0.25 -0.84 0.77 -0.04 0.00 0.00 0.00 175.10 175.24 1ujt s MET 51 N 1.43 4.50 0.04 2.72 -1.94 -1.22 -2.04 119.30 122.79 1ujt s MET 51 Ca 0.05 1.07 -0.09 0.00 -1.71 0.00 0.00 55.69 55.01 1ujt s MET 51 Cb -0.28 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.19 1ujt s MET 51 CO 0.01 0.24 0.18 1.52 -0.01 0.00 0.00 175.02 176.96 1ujt s TYR 52 N 0.08 0.09 0.05 -0.03 1.13 -0.90 -2.55 117.35 115.23 1ujt s TYR 52 Ca 0.39 -0.33 -0.28 0.00 -1.41 0.00 0.00 57.07 55.44 1ujt s TYR 52 Cb -0.20 -0.05 0.09 0.00 -1.10 0.00 0.00 41.96 40.69 1ujt s TYR 52 CO 0.23 -0.42 0.97 -0.98 -2.51 0.00 0.00 175.55 172.83 1ujt s ARG 53 N -2.63 0.93 0.42 -3.49 1.70 -1.05 -1.95 118.95 112.87 1ujt s ARG 53 Ca -0.05 -0.44 -0.22 0.00 -0.47 0.00 0.00 55.73 54.55 1ujt s ARG 53 Cb -0.01 0.36 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 1ujt s ARG 53 CO -0.04 -0.42 0.97 -1.14 -1.08 0.00 0.00 175.30 173.59 1ujt s GLN 54 N -3.10 4.23 -0.06 3.89 0.74 -1.26 -2.40 119.66 121.69 1ujt s GLN 54 Ca 0.09 1.21 0.06 0.00 0.05 0.00 0.00 55.36 56.77 1ujt s GLN 54 Cb -0.01 -2.29 -0.09 0.00 1.10 0.00 0.00 33.01 31.73 1ujt s GLN 54 CO -0.03 -0.04 0.04 0.25 -0.55 0.00 0.00 175.29 174.95 1ujt n THR 55 N -0.46 0.41 -4.23 -0.34 -2.24 -1.18 -1.76 114.28 104.48 1ujt n THR 55 Ca 0.06 -0.27 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 1ujt n THR 55 Cb 0.53 -0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.71 4.65 0.08 3.42 0.15 -1.26 -4.52 113.70 112.51 1ujt s SER 56 Ca -0.03 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1ujt s SER 56 Cb 0.02 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1ujt s SER 56 CO 0.28 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1ujt n GLY 57 N -0.22 -2.16 0.13 9.45 0.00 -1.26 -3.37 105.19 107.77 1ujt n GLY 57 Ca -0.09 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.25 -1.11 0.99 7.12 -2.00 -0.87 115.31 119.19 1ujt h LEU 58 Ca 0.00 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1ujt h LEU 58 Cb 0.21 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 1ujt h LEU 58 CO 0.00 -0.14 0.38 1.56 -0.13 0.00 0.00 178.44 180.12 1ujt h GLN 59 N -0.18 0.00 -7.18 1.25 1.08 -1.95 -3.42 115.11 104.70 1ujt h GLN 59 Ca 0.02 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.75 1ujt h GLN 59 Cb 0.20 0.00 0.21 0.00 -0.05 0.00 0.00 27.48 27.84 1ujt h GLN 59 CO -0.05 0.00 0.08 0.00 -0.95 0.00 0.00 178.83 177.91 1ujt s ALA 60 N -3.59 0.17 -0.93 3.87 0.00 -0.33 -2.79 121.76 118.15 1ujt s ALA 60 Ca -0.02 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1ujt s ALA 60 Cb 0.05 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.95 1ujt s ALA 60 CO 0.15 -3.52 0.30 -2.37 0.00 0.00 0.00 175.76 170.32 1ujt n THR 61 N -4.72 0.00 -3.43 0.00 5.66 -0.72 -4.85 114.28 106.21 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 0.53 -0.25 -0.00 0.00 -1.55 0.00 0.00 70.33 69.06 1ujt n THR 61 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ujt s SER 62 N -2.23 6.04 -0.36 1.09 1.04 -1.12 -4.96 113.70 113.20 1ujt s SER 62 Ca 0.41 0.06 -0.33 0.00 0.48 0.00 0.00 55.95 56.58 1ujt s SER 62 Cb -0.24 -1.52 -0.14 0.00 0.10 0.00 0.00 66.02 64.22 1ujt s SER 62 CO 0.51 -0.42 1.47 -1.54 0.98 0.00 0.00 173.24 174.24 1ujt n SER 63 N -1.73 0.62 -4.67 7.02 3.41 -1.26 -4.78 113.62 112.24 1ujt n SER 63 Ca -0.02 0.58 -0.40 0.00 -0.26 0.00 0.00 58.87 58.77 1ujt n SER 63 Cb 0.58 -0.65 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1ujt n SER 63 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1ujt n TRP 64 N 4.90 1.74 -4.16 7.33 7.02 -1.26 -4.98 117.44 128.03 1ujt n TRP 64 Ca 0.36 0.50 -0.24 0.00 -1.02 0.00 0.00 57.50 57.10 1ujt n TRP 64 Cb -0.03 -2.31 -0.06 0.00 -2.42 0.00 0.00 31.31 26.49 1ujt n TRP 64 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1ujt s GLN 65 N -2.31 2.71 -0.03 -0.99 -0.21 -0.82 -4.99 119.66 113.02 1ujt s GLN 65 Ca 0.65 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.93 1ujt s GLN 65 Cb -0.50 -2.46 0.02 0.00 1.00 0.00 0.00 33.01 31.06 1ujt s GLN 65 CO 0.55 0.42 -0.04 -0.80 -2.12 0.00 0.00 175.29 173.30 1ujt s ASN 66 N -3.55 0.69 -0.41 5.90 0.01 -1.26 -2.11 114.94 114.22 1ujt s ASN 66 Ca 0.31 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1ujt s ASN 66 Cb -0.08 -0.27 0.11 0.00 0.41 0.00 0.00 41.25 41.42 1ujt s ASN 66 CO 0.23 -0.03 0.16 -0.22 -1.51 0.00 0.00 177.10 175.73 1ujt s LEU 67 N 0.61 4.99 -0.77 0.60 2.96 -0.86 -4.95 118.68 121.24 1ujt s LEU 67 Ca -0.07 -2.22 -0.26 0.00 -0.22 0.00 0.00 54.13 51.36 1ujt s LEU 67 Cb -0.11 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1ujt s LEU 67 CO -0.00 -0.44 1.76 -1.81 -1.32 0.00 0.00 176.35 174.53 1ujt s ASP 68 N 1.20 5.49 0.40 3.68 1.11 -1.26 -2.62 116.67 124.67 1ujt s ASP 68 Ca 0.11 -0.31 0.21 0.00 0.18 0.00 0.00 52.55 52.74 1ujt s ASP 68 Cb -0.21 -2.55 1.19 0.00 1.07 0.00 0.00 42.92 42.42 1ujt s ASP 68 CO -0.05 -2.32 1.71 0.00 1.18 0.00 0.00 175.17 175.68 1ujt h ALA 69 N 12.48 2.33 -3.12 5.23 0.00 -1.88 -3.45 119.26 130.85 1ujt h ALA 69 Ca -0.10 0.10 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 1ujt h ALA 69 Cb 1.08 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ujt h ALA 69 CO 1.25 -0.84 -0.50 1.63 0.00 0.00 0.00 179.25 180.80 1ujt n LYS 70 N -4.72 -2.49 -3.19 0.00 4.76 -1.26 -4.95 118.16 106.31 1ujt n LYS 70 Ca 0.30 0.87 0.01 0.00 -2.87 0.00 0.00 58.31 56.62 1ujt n LYS 70 Cb 1.06 -5.43 -0.02 0.00 -1.84 0.00 0.00 35.03 28.79 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 -2.99 -0.92 -0.48 -0.18 1.01 -1.24 -4.96 120.40 110.64 1ujt s VAL 71 Ca 0.09 -0.02 0.24 0.00 0.00 0.00 0.00 61.98 62.29 1ujt s VAL 71 Cb -0.04 -0.97 0.25 0.00 0.00 0.00 0.00 36.38 35.62 1ujt s VAL 71 CO 0.12 -0.03 1.71 -0.81 0.00 0.00 0.00 175.10 176.09 1ujt n PRO 72 N 5.42 0.19 0.00 2.72 -0.04 -1.22 -2.06 135.00 140.01 1ujt n PRO 72 Ca -0.01 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1ujt n PRO 72 Cb 0.51 -1.87 0.20 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.24 0.00 -3.40 0.52 -2.24 -1.26 -4.85 114.28 100.81 1ujt n THR 73 Ca 0.02 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.41 1ujt n THR 73 Cb 0.23 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.94 4.23 -0.28 -0.78 0.41 -0.87 -4.96 118.70 113.50 1ujt s GLU 74 Ca 0.12 0.24 0.10 0.00 -0.41 0.00 0.00 54.97 55.03 1ujt s GLU 74 Cb 0.17 -3.49 0.52 0.00 -1.78 0.00 0.00 34.13 29.55 1ujt s GLU 74 CO 0.71 0.05 1.48 0.54 -0.49 0.00 0.00 175.26 177.55 1ujt n ARG 75 N 4.14 2.09 -3.93 1.61 1.74 -1.26 -4.84 116.66 116.20 1ujt n ARG 75 Ca -0.09 -3.10 -0.09 0.00 -0.77 0.00 0.00 57.85 53.80 1ujt n ARG 75 Cb 0.51 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ujt s SER 76 N -2.34 -0.11 -0.05 0.55 1.04 -1.26 -2.05 113.70 109.49 1ujt s SER 76 Ca 0.45 -0.82 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 1ujt s SER 76 Cb 0.40 0.56 0.02 0.00 0.10 0.00 0.00 66.02 67.10 1ujt s SER 76 CO 0.02 -1.08 0.29 0.00 0.98 0.00 0.00 173.24 173.45 1ujt s ALA 77 N -3.98 -0.73 -0.44 5.32 0.00 -0.35 -4.99 121.76 116.59 1ujt s ALA 77 Ca 0.18 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 1ujt s ALA 77 Cb -0.00 -0.11 0.12 0.00 0.00 0.00 0.00 23.12 23.13 1ujt s ALA 77 CO 0.05 -0.22 0.22 0.08 0.00 0.00 0.00 175.76 175.89 1ujt s VAL 78 N -0.86 3.23 -0.62 0.00 1.01 -1.26 -1.23 120.40 120.67 1ujt s VAL 78 Ca -0.09 -2.25 -0.28 0.00 0.00 0.00 0.00 61.98 59.36 1ujt s VAL 78 Cb -0.05 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1ujt s VAL 78 CO 0.03 -0.71 1.37 -0.76 0.00 0.00 0.00 175.10 175.03 1ujt s LEU 79 N 0.91 3.33 0.00 3.92 1.43 -0.85 -4.91 118.68 122.50 1ujt s LEU 79 Ca 0.10 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1ujt s LEU 79 Cb -0.22 -2.89 0.06 0.00 0.03 0.00 0.00 46.19 43.17 1ujt s LEU 79 CO -0.04 -1.76 0.45 1.33 0.23 0.00 0.00 176.35 176.56 1ujt n VAL 80 N 6.71 0.00 -3.96 -1.59 0.24 -1.26 -2.20 118.33 116.28 1ujt n VAL 80 Ca 0.10 -0.87 -0.32 0.00 -2.04 0.00 0.00 64.34 61.21 1ujt n VAL 80 Cb 0.49 -0.96 -0.01 0.00 -1.47 0.00 0.00 33.84 31.89 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 -2.82 -3.65 -4.96 -1.34 0.23 -1.10 -4.91 115.26 96.71 1ujt n ASN 81 Ca 0.08 -0.81 -0.23 0.00 -0.53 0.00 0.00 54.58 53.10 1ujt n ASN 81 Cb 0.30 -2.98 0.05 0.00 -2.08 0.00 0.00 39.78 35.06 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 -7.06 3.14 0.41 -4.53 1.43 -0.86 -5.06 118.68 106.15 1ujt s LEU 82 Ca 0.65 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1ujt s LEU 82 Cb -0.35 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 1ujt s LEU 82 CO 0.80 -1.27 0.67 -0.75 0.23 0.00 0.00 176.35 176.03 1ujt s LYS 83 N -4.91 3.54 -0.12 1.70 2.20 -1.26 -4.59 119.74 116.30 1ujt s LYS 83 Ca 0.58 -0.01 -0.05 0.00 -0.36 0.00 0.00 55.97 56.13 1ujt s LYS 83 Cb -0.10 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 1ujt s LYS 83 CO 0.40 -0.02 0.07 0.15 -0.36 0.00 0.00 175.35 175.60 1ujt s LYS 84 N -4.41 3.33 -0.76 4.03 1.02 -1.21 -4.60 119.74 117.15 1ujt s LYS 84 Ca 0.44 -0.28 -0.04 0.00 0.02 0.00 0.00 55.97 56.12 1ujt s LYS 84 Cb -0.10 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 1ujt s LYS 84 CO 0.39 0.67 0.66 0.41 -0.92 0.00 0.00 175.35 176.57 1ujt n GLY 85 N 2.28 -0.58 3.62 -3.33 0.00 0.40 -4.93 105.19 102.65 1ujt n GLY 85 Ca -0.19 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.28 0.00 0.39 1.61 0.11 -1.18 -4.96 120.40 113.10 1ujt s VAL 86 Ca 0.33 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.14 1ujt s VAL 86 Cb -0.04 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.71 1ujt s VAL 86 CO 0.53 0.00 0.99 -0.89 -3.33 0.00 0.00 175.10 172.40 1ujt s THR 87 N -0.40 4.07 -0.03 5.04 2.01 -1.26 -2.17 115.64 122.90 1ujt s THR 87 Ca 0.02 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.54 1ujt s THR 87 Cb -0.03 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1ujt s THR 87 CO -0.04 -0.06 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.48 1ujt s TYR 88 N -1.82 0.57 -0.16 4.92 2.02 0.20 -3.11 117.35 119.97 1ujt s TYR 88 Ca 0.57 -0.12 -0.10 0.00 -0.37 0.00 0.00 57.07 57.05 1ujt s TYR 88 Cb -0.17 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.81 1ujt s TYR 88 CO 0.22 -0.15 0.19 -2.00 -1.57 0.00 0.00 175.55 172.24 1ujt s GLU 89 N 0.81 3.99 -0.03 -0.62 2.12 -1.01 0.24 118.70 124.19 1ujt s GLU 89 Ca -0.10 -0.07 -0.06 0.00 0.36 0.00 0.00 54.97 55.10 1ujt s GLU 89 Cb -0.13 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.92 1ujt s GLU 89 CO -0.00 0.44 0.14 0.42 -0.54 0.00 0.00 175.26 175.71 1ujt s ILE 90 N -0.08 0.04 -0.06 -3.70 1.09 -0.44 -2.54 121.20 115.51 1ujt s ILE 90 Ca 0.13 -0.31 -0.02 0.00 -1.10 0.00 0.00 60.65 59.35 1ujt s ILE 90 Cb -0.12 -0.30 0.04 0.00 -1.06 0.00 0.00 42.46 41.01 1ujt s ILE 90 CO 0.02 -0.17 0.12 -1.59 -0.10 0.00 0.00 174.94 173.23 1ujt s LYS 91 N -0.55 0.05 0.19 2.79 0.00 -1.06 -1.51 119.74 119.65 1ujt s LYS 91 Ca -0.06 0.36 -0.28 0.00 0.00 0.00 0.00 55.97 55.98 1ujt s LYS 91 Cb -0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 37.83 37.50 1ujt s LYS 91 CO 0.01 -0.19 0.89 0.08 0.00 0.00 0.00 175.35 176.14 1ujt s VAL 92 N 1.32 4.26 -0.13 1.79 1.01 -1.26 -3.42 120.40 123.96 1ujt s VAL 92 Ca -0.07 1.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.82 1ujt s VAL 92 Cb -0.12 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.06 1ujt s VAL 92 CO -0.05 0.47 0.22 0.00 0.00 0.00 0.00 175.10 175.73 1ujt s ARG 93 N -0.90 0.12 -0.45 2.72 1.70 -1.13 -2.54 118.95 118.48 1ujt s ARG 93 Ca 0.40 0.55 -0.28 0.00 -0.47 0.00 0.00 55.73 55.94 1ujt s ARG 93 Cb -0.24 -0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 33.72 1ujt s ARG 93 CO 0.30 -0.39 1.76 -1.25 -1.08 0.00 0.00 175.30 174.64 1ujt s PRO 94 N 2.36 3.10 0.06 3.89 0.04 -1.26 -2.21 135.00 140.98 1ujt s PRO 94 Ca 0.03 1.04 0.05 0.00 0.04 0.00 0.00 61.00 62.17 1ujt s PRO 94 Cb -0.13 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 1ujt s PRO 94 CO -0.09 -2.14 -0.08 1.52 0.04 0.00 0.00 177.00 176.25 1ujt s TYR 95 N 7.49 2.82 0.00 0.56 -0.85 -1.26 -0.12 117.35 125.98 1ujt s TYR 95 Ca 0.72 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 57.17 1ujt s TYR 95 Cb -0.17 -1.51 0.00 0.00 0.38 0.00 0.00 41.96 40.66 1ujt s TYR 95 CO 0.29 0.41 0.00 0.34 -1.52 0.00 0.00 175.55 175.06 1ujt n PHE 96 N 1.02 0.00 -0.02 -3.49 7.35 -1.21 -2.87 117.46 118.23 1ujt n PHE 96 Ca -0.14 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.52 1ujt n PHE 96 Cb 0.52 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.34 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 -1.90 0.77 0.00 -2.13 4.13 -1.26 -4.11 115.26 110.75 1ujt n ASN 97 Ca 0.00 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1ujt n ASN 97 Cb 0.00 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 1ujt n ASN 97 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ujt n GLU 98 N -3.26 0.73 -1.40 3.52 2.13 -1.26 -5.09 120.64 116.01 1ujt n GLU 98 Ca -0.05 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.47 1ujt n GLU 98 Cb 0.17 -0.76 0.11 0.00 0.27 0.00 0.00 31.44 31.23 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ujt s PHE 99 N -1.52 2.61 -0.03 4.31 -0.71 -1.26 -5.07 117.98 116.30 1ujt s PHE 99 Ca 0.00 1.20 0.01 0.00 -1.04 0.00 0.00 56.93 57.09 1ujt s PHE 99 Cb 0.00 -3.14 0.03 0.00 -1.21 0.00 0.00 43.02 38.69 1ujt s PHE 99 CO 0.00 -2.04 -0.01 1.14 -1.34 0.00 0.00 175.22 172.97 1ujt s GLN 100 N -5.06 0.42 0.00 1.99 1.03 -1.26 -3.34 119.66 113.43 1ujt s GLN 100 Ca 0.62 0.03 0.00 0.00 0.04 0.00 0.00 55.36 56.05 1ujt s GLN 100 Cb -0.16 -0.56 0.00 0.00 0.03 0.00 0.00 33.01 32.32 1ujt s GLN 100 CO 0.55 -0.12 0.00 0.41 -2.54 0.00 0.00 175.29 173.59 1ujt n GLY 101 N 4.11 -3.35 3.74 2.60 0.00 0.83 -4.88 105.19 108.23 1ujt n GLY 101 Ca -0.26 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.38 4.38 -0.15 1.61 1.00 -1.26 -4.70 119.30 118.79 1ujt s MET 102 Ca 0.00 2.08 -0.22 0.00 0.00 0.00 0.00 55.69 57.55 1ujt s MET 102 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 34.83 31.62 1ujt s MET 102 CO 0.00 -0.27 0.69 -0.51 0.00 0.00 0.00 175.02 174.94 1ujt s ASP 103 N 0.32 6.84 1.16 3.03 1.11 -1.26 -4.56 116.67 123.30 1ujt s ASP 103 Ca 0.57 1.01 -0.13 0.00 0.18 0.00 0.00 52.55 54.19 1ujt s ASP 103 Cb -0.37 -2.39 0.28 0.00 1.07 0.00 0.00 42.92 41.51 1ujt s ASP 103 CO 0.39 -0.25 1.03 -0.55 1.18 0.00 0.00 175.17 176.98 1ujt s SER 104 N 1.05 1.03 -0.55 0.27 0.15 -1.05 -4.79 113.70 109.81 1ujt s SER 104 Ca 0.33 1.54 -0.26 0.00 0.70 0.00 0.00 55.95 58.26 1ujt s SER 104 Cb -0.16 -2.31 -0.08 0.00 -1.71 0.00 0.00 66.02 61.76 1ujt s SER 104 CO 0.13 -4.17 2.36 -1.61 1.20 0.00 0.00 173.24 171.15 1ujt s GLU 105 N -4.48 2.07 -0.41 5.44 2.02 -1.26 -4.74 118.70 117.33 1ujt s GLU 105 Ca 0.68 1.19 -0.41 0.00 0.02 0.00 0.00 54.97 56.45 1ujt s GLU 105 Cb -0.25 -4.61 -0.18 0.00 0.10 0.00 0.00 34.13 29.20 1ujt s GLU 105 CO 0.64 -3.42 1.39 -1.13 0.02 0.00 0.00 175.26 172.76 1ujt n SER 106 N 16.08 1.00 -4.81 -0.19 3.41 -1.26 -4.91 113.62 122.93 1ujt n SER 106 Ca 0.37 1.05 -0.32 0.00 -0.26 0.00 0.00 58.87 59.72 1ujt n SER 106 Cb 0.53 -0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 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 2.47 3.08 -0.11 4.33 -0.14 -0.57 -4.88 119.74 123.92 1ujt s LYS 107 Ca 0.92 -0.54 -0.03 0.00 -1.36 0.00 0.00 55.97 54.96 1ujt s LYS 107 Cb -1.32 -2.85 -0.03 0.00 -1.68 0.00 0.00 37.83 31.95 1ujt s LYS 107 CO 0.71 0.61 0.03 0.95 -0.76 0.00 0.00 175.35 176.89 1ujt s THR 108 N -1.32 4.53 -0.10 2.17 -4.23 -1.26 -1.33 115.64 114.10 1ujt s THR 108 Ca 0.27 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 1ujt s THR 108 Cb -0.12 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.79 1ujt s THR 108 CO 0.19 0.59 -0.15 0.54 -0.54 0.00 0.00 174.62 175.25 1ujt s VAL 109 N -0.70 1.47 -0.43 2.29 0.11 0.14 -4.85 120.40 118.42 1ujt s VAL 109 Ca 0.11 -0.63 -0.16 0.00 -2.93 0.00 0.00 61.98 58.38 1ujt s VAL 109 Cb -0.12 -1.35 0.04 0.00 -1.53 0.00 0.00 36.38 33.43 1ujt s VAL 109 CO 0.02 0.44 0.36 -0.60 -3.33 0.00 0.00 175.10 171.99 1ujt s ARG 110 N 0.96 2.99 -0.56 1.54 3.52 -1.26 0.58 118.95 126.72 1ujt s ARG 110 Ca -0.07 -1.09 -0.28 0.00 -0.13 0.00 0.00 55.73 54.16 1ujt s ARG 110 Cb -0.15 -4.03 0.02 0.00 -1.56 0.00 0.00 34.95 29.23 1ujt s ARG 110 CO -0.01 -0.87 1.27 0.95 -0.81 0.00 0.00 175.30 175.83 1ujt s THR 111 N 1.76 3.95 1.08 4.11 -4.23 -0.92 -4.91 115.64 116.48 1ujt s THR 111 Ca 0.06 0.86 -0.22 0.00 -1.18 0.00 0.00 61.69 61.20 1ujt s THR 111 Cb -0.20 -4.60 -0.01 0.00 1.34 0.00 0.00 72.50 69.02 1ujt s THR 111 CO 0.09 -1.23 -0.61 1.07 -0.54 0.00 0.00 174.62 173.40 1ujt n THR 112 N 6.77 0.00 -0.07 3.99 5.66 -1.26 0.15 114.28 129.52 1ujt n THR 112 Ca 0.10 -0.19 -0.14 0.00 -3.05 0.00 0.00 64.05 60.78 1ujt n THR 112 Cb 0.49 -0.37 -0.05 0.00 -1.55 0.00 0.00 70.33 68.86 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 -0.29 0.33 -2.18 1.09 1.02 -1.26 -2.62 120.64 116.73 1ujt n GLU 113 Ca -0.00 0.14 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 1ujt n GLU 113 Cb 0.68 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 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 -2.35 4.27 -0.30 3.49 2.56 -1.26 -4.93 118.70 120.18 1ujt s GLU 114 Ca -0.21 2.02 -0.29 0.00 0.00 0.00 0.00 54.97 56.50 1ujt s GLU 114 Cb 0.07 -3.56 -0.01 0.00 2.00 0.00 0.00 34.13 32.63 1ujt s GLU 114 CO 0.27 -0.59 1.43 -1.54 -0.56 0.00 0.00 175.26 174.27 1ujt s SER 115 N 1.92 6.49 -0.34 -1.70 1.04 -1.26 -4.86 113.70 114.99 1ujt s SER 115 Ca 0.65 1.26 -0.06 0.00 0.48 0.00 0.00 55.95 58.29 1ujt s SER 115 Cb -0.33 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.48 1ujt s SER 115 CO 0.27 -1.22 1.13 0.61 0.98 0.00 0.00 173.24 175.01 1ujt n GLY 116 N 4.60 -1.69 3.73 7.32 0.00 -1.26 -5.17 105.19 112.72 1ujt n GLY 116 Ca 0.17 1.21 -0.30 0.00 0.00 0.00 0.00 46.02 47.10 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 0.78 1.56 -0.11 1.61 0.04 -1.26 -5.06 135.00 132.55 1ujt s PRO 117 Ca 0.24 0.92 0.02 0.00 0.04 0.00 0.00 61.00 62.22 1ujt s PRO 117 Cb 0.15 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.87 1ujt s PRO 117 CO -0.10 -2.06 -0.16 0.45 0.04 0.00 0.00 177.00 175.17 1ujt s SER 118 N -3.42 2.49 0.02 6.66 0.15 -1.26 -5.13 113.70 113.22 1ujt s SER 118 Ca 0.63 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.75 1ujt s SER 118 Cb -0.18 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1ujt s SER 118 CO 0.57 0.02 0.16 -0.94 1.20 0.00 0.00 173.24 174.24 1ujt s SER 119 N 0.99 0.04 0.00 5.45 1.04 -1.26 -5.23 113.70 114.73 1ujt s SER 119 Ca -0.06 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1ujt s SER 119 Cb -0.15 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1ujt s SER 119 CO -0.02 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.35