#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 2.12 -4.69 1.61 3.41 -1.26 -4.82 113.62 109.99 1ujt n SER 2 Ca 0.00 -0.38 -0.62 0.00 -0.26 0.00 0.00 58.87 57.61 1ujt n SER 2 Cb 0.00 -1.50 -0.09 0.00 -0.26 0.00 0.00 64.21 62.36 1ujt n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ujt n SER 3 N 14.99 1.73 0.00 4.04 7.64 -1.26 -4.39 113.62 136.36 1ujt n SER 3 Ca 0.40 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.36 1ujt n SER 3 Cb 0.48 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1ujt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujt n GLY 4 N 4.40 0.26 3.13 0.23 0.00 -1.26 -4.98 105.19 106.97 1ujt n GLY 4 Ca 0.31 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 0.45 -1.98 -4.30 1.61 3.41 -1.26 -4.98 113.62 106.56 1ujt n SER 5 Ca 0.00 0.90 -0.16 0.00 -0.26 0.00 0.00 58.87 59.34 1ujt n SER 5 Cb 0.00 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 62.99 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 -0.93 1.14 -0.31 4.04 1.04 -1.26 -4.81 113.70 112.60 1ujt s SER 6 Ca 0.57 -1.39 0.16 0.00 0.48 0.00 0.00 55.95 55.78 1ujt s SER 6 Cb -0.72 0.18 0.47 0.00 0.10 0.00 0.00 66.02 66.05 1ujt s SER 6 CO 0.56 -0.74 1.07 0.61 0.98 0.00 0.00 173.24 175.71 1ujt n GLY 7 N -0.46 3.03 0.10 7.32 0.00 -1.26 -4.83 105.19 109.10 1ujt n GLY 7 Ca 0.00 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 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 2.67 0.01 0.00 1.61 2.47 -2.02 -3.34 114.38 115.78 1ujt h ARG 8 Ca 0.02 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ujt h ARG 8 Cb 1.23 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1ujt h ARG 8 CO 0.48 1.01 0.00 0.00 0.56 0.00 0.00 179.97 182.02 1ujt n GLN 9 N -4.43 0.08 -0.26 0.04 0.00 -1.26 -3.58 117.38 107.98 1ujt n GLN 9 Ca -0.29 0.25 0.17 0.00 0.00 0.00 0.00 57.00 57.13 1ujt n GLN 9 Cb 0.67 -1.50 0.33 0.00 0.00 0.00 0.00 30.24 29.73 1ujt n GLN 9 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1ujt n VAL 10 N -1.33 -0.32 -0.05 -0.39 3.14 -1.25 1.00 118.33 119.12 1ujt n VAL 10 Ca 0.03 1.63 -0.02 0.00 -2.96 0.00 0.00 64.34 63.03 1ujt n VAL 10 Cb 0.07 -2.50 -0.15 0.00 -1.06 0.00 0.00 33.84 30.20 1ujt n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ujt n GLN 11 N -4.92 0.67 0.00 1.45 6.02 -1.23 -2.25 117.38 117.12 1ujt n GLN 11 Ca 0.23 -0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.30 1ujt n GLN 11 Cb 0.77 -1.56 0.69 0.00 1.02 0.00 0.00 30.24 31.16 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 -2.61 0.96 0.00 -1.09 3.00 0.28 -4.10 118.16 114.61 1ujt n LYS 12 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 1ujt n LYS 12 Cb 0.92 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.57 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 -0.88 0.00 -0.27 1.64 2.13 0.28 -4.71 120.64 118.83 1ujt n GLU 13 Ca 0.18 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.92 1ujt n GLU 13 Cb 0.08 -0.15 -0.06 0.00 0.27 0.00 0.00 31.44 31.58 1ujt n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ujt n LEU 14 N -2.68 -0.68 -0.12 4.31 7.94 -0.95 0.71 117.00 125.53 1ujt n LEU 14 Ca 0.00 1.16 -0.09 0.00 -1.11 0.00 0.00 56.01 55.97 1ujt n LEU 14 Cb 0.15 -0.15 -0.01 0.00 0.53 0.00 0.00 43.42 43.93 1ujt n LEU 14 CO 0.00 -0.94 0.96 1.23 -1.11 0.00 0.00 177.39 177.53 1ujt h GLY 15 N 0.00 0.55 -0.20 -3.96 0.00 -1.82 -3.06 103.07 94.59 1ujt h GLY 15 Ca 0.10 -0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.27 1ujt h GLY 15 CO -0.60 0.25 -0.27 -0.55 0.00 0.00 0.00 176.54 175.36 1ujt h ASP 16 N 0.46 -0.93 -0.95 0.19 5.19 -0.00 -3.42 116.42 116.94 1ujt h ASP 16 Ca 0.13 0.19 -0.77 0.00 -0.62 0.00 0.00 57.03 55.96 1ujt h ASP 16 Cb 0.08 0.47 0.04 0.00 0.18 0.00 0.00 39.33 40.11 1ujt h ASP 16 CO -0.02 -0.28 0.14 0.52 -3.12 0.00 0.00 179.24 176.48 1ujt n VAL 17 N -5.42 0.00 -3.64 -1.35 0.31 -0.05 -4.89 118.33 103.29 1ujt n VAL 17 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.98 1ujt n VAL 17 Cb 0.33 -0.06 -0.08 0.00 -0.91 0.00 0.00 33.84 33.12 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 0.39 5.54 -0.64 7.52 0.20 -1.26 -4.84 118.68 125.58 1ujt s LEU 18 Ca 0.89 -3.05 -0.26 0.00 0.69 0.00 0.00 54.13 52.40 1ujt s LEU 18 Cb -1.24 -1.92 -0.02 0.00 -0.43 0.00 0.00 46.19 42.58 1ujt s LEU 18 CO 0.58 -0.35 1.85 -0.69 -0.29 0.00 0.00 176.35 177.44 1ujt s VAL 19 N -0.35 3.38 -0.82 1.68 1.01 -1.26 -3.90 120.40 120.14 1ujt s VAL 19 Ca 0.20 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.08 1ujt s VAL 19 Cb -0.16 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1ujt s VAL 19 CO -0.06 -0.95 1.45 -0.60 0.00 0.00 0.00 175.10 174.94 1ujt s ARG 20 N 6.99 3.20 -0.63 2.72 3.00 0.19 -4.75 118.95 129.67 1ujt s ARG 20 Ca 0.66 -0.42 -0.26 0.00 -1.00 0.00 0.00 55.73 54.72 1ujt s ARG 20 Cb -0.12 -4.63 0.04 0.00 0.00 0.00 0.00 34.95 30.24 1ujt s ARG 20 CO 0.19 -2.33 1.11 -1.17 0.00 0.00 0.00 175.30 173.10 1ujt s LEU 21 N 6.21 3.71 0.00 -0.88 0.20 -1.26 -1.90 118.68 124.76 1ujt s LEU 21 Ca 0.45 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.91 1ujt s LEU 21 Cb -0.06 -2.79 0.00 0.00 -0.43 0.00 0.00 46.19 42.91 1ujt s LEU 21 CO 0.07 -1.50 0.60 1.41 -0.29 0.00 0.00 176.35 176.64 1ujt n HIS 22 N 8.29 0.00 -3.64 5.38 8.25 -1.23 -4.97 115.22 127.30 1ujt n HIS 22 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 1ujt n HIS 22 Cb 0.48 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.98 -0.15 -1.19 0.41 4.22 -1.26 -5.08 114.94 109.91 1ujt s ASN 23 Ca 0.00 0.25 -0.23 0.00 -2.14 0.00 0.00 52.86 50.74 1ujt s ASN 23 Cb 0.00 0.23 -0.09 0.00 1.28 0.00 0.00 41.25 42.68 1ujt s ASN 23 CO 0.00 -0.08 1.93 -2.16 -2.04 0.00 0.00 177.10 174.75 1ujt s PRO 24 N -0.36 2.49 -0.51 3.55 0.04 -1.26 -4.06 135.00 134.89 1ujt s PRO 24 Ca 0.06 -1.18 -0.34 0.00 0.04 0.00 0.00 61.00 59.58 1ujt s PRO 24 Cb -0.03 -5.25 -0.13 0.00 0.04 0.00 0.00 34.50 29.13 1ujt s PRO 24 CO -0.10 -4.00 2.32 0.28 0.04 0.00 0.00 177.00 175.54 1ujt n VAL 25 N 7.80 0.09 -2.46 -0.36 0.31 -0.06 -4.70 118.33 118.96 1ujt n VAL 25 Ca 0.45 -0.28 -0.43 0.00 -0.01 0.00 0.00 64.34 64.07 1ujt n VAL 25 Cb 0.47 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 31.86 1ujt n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ujt s VAL 26 N 8.35 3.97 -0.11 2.52 0.11 -1.26 -1.26 120.40 132.72 1ujt s VAL 26 Ca 1.14 0.94 -0.14 0.00 -2.93 0.00 0.00 61.98 60.99 1ujt s VAL 26 Cb -0.88 -4.44 -0.27 0.00 -1.53 0.00 0.00 36.38 29.27 1ujt s VAL 26 CO 0.47 -1.00 0.49 -0.07 -3.33 0.00 0.00 175.10 171.66 1ujt h LEU 27 N 12.11 0.38 -8.20 2.54 3.38 -1.89 -3.48 115.31 120.15 1ujt h LEU 27 Ca -0.26 -0.85 -0.12 0.00 0.09 0.00 0.00 57.88 56.74 1ujt h LEU 27 Cb 1.08 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 1ujt h LEU 27 CO 1.13 1.68 -0.66 0.42 0.09 0.00 0.00 178.44 181.10 1ujt s THR 28 N -2.50 0.21 -1.58 0.22 -4.23 -0.93 -5.02 115.64 101.82 1ujt s THR 28 Ca -0.21 -1.71 0.15 0.00 -1.18 0.00 0.00 61.69 58.74 1ujt s THR 28 Cb 0.05 -1.43 0.30 0.00 1.34 0.00 0.00 72.50 72.77 1ujt s THR 28 CO 0.76 -0.95 1.39 -0.81 -0.54 0.00 0.00 174.62 174.47 1ujt n PRO 29 N 0.20 0.28 -0.00 3.99 -0.04 -1.26 -2.35 135.00 135.82 1ujt n PRO 29 Ca -0.15 0.11 0.01 0.00 -0.04 0.00 0.00 63.50 63.44 1ujt n PRO 29 Cb 0.61 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 1ujt n PRO 29 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujt n THR 30 N -1.21 0.00 -4.07 0.52 -2.24 -1.26 -3.70 114.28 102.32 1ujt n THR 30 Ca 0.08 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1ujt n THR 30 Cb 0.10 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.89 0.33 -0.03 4.28 2.01 -0.99 -1.67 115.64 117.69 1ujt s THR 31 Ca -0.00 -1.47 -0.03 0.00 0.31 0.00 0.00 61.69 60.50 1ujt s THR 31 Cb 0.02 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1ujt s THR 31 CO 0.11 -0.74 0.08 -0.69 -0.69 0.00 0.00 174.62 172.70 1ujt s VAL 32 N -2.78 -0.01 -0.34 3.82 1.01 -0.77 -2.18 120.40 119.14 1ujt s VAL 32 Ca -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1ujt s VAL 32 Cb -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.27 1ujt s VAL 32 CO -0.05 0.01 0.15 -1.58 0.00 0.00 0.00 175.10 173.64 1ujt s GLN 33 N 0.23 2.92 -0.06 2.72 -0.44 -0.39 -1.85 119.66 122.78 1ujt s GLN 33 Ca -0.02 -1.00 -0.13 0.00 -2.50 0.00 0.00 55.36 51.72 1ujt s GLN 33 Cb -0.02 -3.58 -0.05 0.00 -1.64 0.00 0.00 33.01 27.72 1ujt s GLN 33 CO -0.01 -0.60 0.33 0.08 0.50 0.00 0.00 175.29 175.59 1ujt s VAL 34 N 1.52 5.20 0.16 1.34 1.01 -0.99 -0.88 120.40 127.76 1ujt s VAL 34 Ca 0.02 0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.73 1ujt s VAL 34 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1ujt s VAL 34 CO 0.05 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.60 1ujt s THR 35 N -0.74 1.94 -0.18 3.92 2.01 -1.26 -2.72 115.64 118.61 1ujt s THR 35 Ca 0.20 -1.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.04 1ujt s THR 35 Cb -0.15 -1.87 0.11 0.00 0.01 0.00 0.00 72.50 70.61 1ujt s THR 35 CO 0.09 -0.22 0.94 -1.66 -0.69 0.00 0.00 174.62 173.09 1ujt s TRP 36 N -1.79 -0.47 0.24 4.92 -2.14 -1.16 -3.55 118.94 114.99 1ujt s TRP 36 Ca 0.15 0.93 0.11 0.00 2.66 0.00 0.00 56.10 59.95 1ujt s TRP 36 Cb -0.07 0.41 -0.05 0.00 -3.10 0.00 0.00 33.47 30.66 1ujt s TRP 36 CO 0.07 -0.36 -0.20 -0.08 -2.66 0.00 0.00 176.95 173.72 1ujt s THR 37 N -0.68 2.31 -0.10 0.66 -1.32 -0.80 -4.80 115.64 110.91 1ujt s THR 37 Ca -0.02 -2.25 -0.01 0.00 -1.21 0.00 0.00 61.69 58.20 1ujt s THR 37 Cb -0.02 -2.19 0.03 0.00 -1.51 0.00 0.00 72.50 68.81 1ujt s THR 37 CO 0.01 -0.34 -0.03 0.68 -2.21 0.00 0.00 174.62 172.73 1ujt s VAL 38 N -2.31 0.69 0.24 5.08 -7.23 -1.26 0.52 120.40 116.14 1ujt s VAL 38 Ca 0.26 -0.14 -0.06 0.00 -1.81 0.00 0.00 61.98 60.22 1ujt s VAL 38 Cb -0.05 -0.82 0.22 0.00 0.56 0.00 0.00 36.38 36.28 1ujt s VAL 38 CO 0.12 0.26 1.69 0.44 -0.31 0.00 0.00 175.10 177.30 1ujt h ASP 39 N 8.25 -0.00 -3.63 4.85 3.32 -1.98 -3.34 116.42 123.89 1ujt h ASP 39 Ca -0.24 0.14 -0.64 0.00 0.02 0.00 0.00 57.03 56.32 1ujt h ASP 39 Cb 1.13 0.19 -0.39 0.00 0.22 0.00 0.00 39.33 40.48 1ujt h ASP 39 CO 0.33 -0.03 -0.76 -0.13 -1.72 0.00 0.00 179.24 176.93 1ujt s ARG 40 N -6.06 1.54 -0.10 3.56 3.00 -1.26 -5.08 118.95 114.54 1ujt s ARG 40 Ca -0.13 -1.44 -0.29 0.00 0.00 0.00 0.00 55.73 53.87 1ujt s ARG 40 Cb 0.21 -2.81 -0.06 0.00 0.00 0.00 0.00 34.95 32.29 1ujt s ARG 40 CO 0.75 -0.79 1.88 -1.14 0.00 0.00 0.00 175.30 176.00 1ujt s GLN 41 N 1.17 3.84 0.46 3.54 0.74 -1.26 -4.84 119.66 123.31 1ujt s GLN 41 Ca 0.03 2.17 -0.23 0.00 0.05 0.00 0.00 55.36 57.38 1ujt s GLN 41 Cb -0.19 -4.15 -0.07 0.00 1.10 0.00 0.00 33.01 29.70 1ujt s GLN 41 CO -0.10 -1.28 1.16 -1.25 -0.55 0.00 0.00 175.29 173.28 1ujt s PRO 42 N 4.86 3.76 -0.25 1.67 0.04 -1.26 -4.99 135.00 138.83 1ujt s PRO 42 Ca 0.84 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 63.54 1ujt s PRO 42 Cb -0.34 -2.41 -0.15 0.00 0.04 0.00 0.00 34.50 31.64 1ujt s PRO 42 CO 0.35 -0.55 -0.18 0.94 0.04 0.00 0.00 177.00 177.60 1ujt n GLN 43 N -0.49 0.61 -0.23 4.56 7.27 -1.26 -4.48 117.38 123.36 1ujt n GLN 43 Ca 0.07 0.30 -0.04 0.00 0.07 0.00 0.00 57.00 57.40 1ujt n GLN 43 Cb 0.48 -1.56 0.06 0.00 2.41 0.00 0.00 30.24 31.64 1ujt n GLN 43 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1ujt h PHE 44 N -0.75 0.76 -0.82 3.69 -0.00 -1.94 -3.44 116.94 114.44 1ujt h PHE 44 Ca -0.60 0.02 -0.35 0.00 -0.00 0.00 0.00 57.97 57.04 1ujt h PHE 44 Cb 1.64 -0.25 0.08 0.00 -0.00 0.00 0.00 35.95 37.42 1ujt h PHE 44 CO -0.02 0.44 -0.46 1.51 -0.00 0.00 0.00 178.31 179.78 1ujt n ILE 45 N -4.69 0.58 -1.77 0.88 3.06 -1.26 -4.88 119.36 111.28 1ujt n ILE 45 Ca 0.06 -0.28 0.02 0.00 -2.50 0.00 0.00 62.75 60.06 1ujt n ILE 45 Cb 0.08 0.00 0.16 0.00 0.54 0.00 0.00 39.64 40.42 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 0.69 1.67 0.00 9.51 1.13 -0.74 -4.97 117.38 124.66 1ujt n GLN 46 Ca 0.07 -3.28 0.00 0.00 -1.94 0.00 0.00 57.00 51.86 1ujt n GLN 46 Cb 0.20 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 -0.89 0.71 2.76 1.08 0.00 -1.24 -4.72 105.19 102.88 1ujt n GLY 47 Ca 0.20 -2.06 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.28 -0.01 -0.18 1.61 1.51 -1.26 -3.44 117.35 114.29 1ujt s TYR 48 Ca 0.00 0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 56.14 1ujt s TYR 48 Cb 0.00 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.50 1ujt s TYR 48 CO 0.00 -0.17 0.67 0.50 -1.11 0.00 0.00 175.55 175.44 1ujt s ARG 49 N 1.72 4.24 -0.64 -0.62 3.52 -0.81 -2.67 118.95 123.70 1ujt s ARG 49 Ca -0.01 0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 56.22 1ujt s ARG 49 Cb -0.12 -3.57 0.17 0.00 -1.56 0.00 0.00 34.95 29.86 1ujt s ARG 49 CO -0.04 -0.23 0.49 0.08 -0.81 0.00 0.00 175.30 174.79 1ujt s VAL 50 N 1.88 4.27 0.30 7.11 1.01 -1.02 -2.87 120.40 131.08 1ujt s VAL 50 Ca 0.31 -2.56 -0.27 0.00 0.00 0.00 0.00 61.98 59.45 1ujt s VAL 50 Cb -0.16 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1ujt s VAL 50 CO 0.11 -0.89 0.98 -0.04 0.00 0.00 0.00 175.10 175.27 1ujt s MET 51 N 0.33 4.61 0.15 2.72 -1.94 -1.13 -0.72 119.30 123.32 1ujt s MET 51 Ca 0.15 1.47 -0.20 0.00 -1.71 0.00 0.00 55.69 55.40 1ujt s MET 51 Cb -0.19 -2.96 0.05 0.00 2.01 0.00 0.00 34.83 33.75 1ujt s MET 51 CO -0.04 0.28 0.52 1.52 -0.01 0.00 0.00 175.02 177.29 1ujt s TYR 52 N -1.43 -0.39 -0.07 -0.03 1.13 -0.95 -2.12 117.35 113.49 1ujt s TYR 52 Ca 0.48 0.13 -0.31 0.00 -1.41 0.00 0.00 57.07 55.96 1ujt s TYR 52 Cb -0.23 0.44 0.11 0.00 -1.10 0.00 0.00 41.96 41.18 1ujt s TYR 52 CO 0.29 -0.80 0.98 -0.98 -2.51 0.00 0.00 175.55 172.54 1ujt s ARG 53 N -3.78 0.66 0.55 -3.49 1.70 -1.07 -0.75 118.95 112.77 1ujt s ARG 53 Ca 0.02 -0.20 -0.15 0.00 -0.47 0.00 0.00 55.73 54.93 1ujt s ARG 53 Cb 0.00 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1ujt s ARG 53 CO -0.12 -0.28 1.01 -1.14 -1.08 0.00 0.00 175.30 173.69 1ujt s GLN 54 N -2.72 3.74 -0.20 3.89 0.74 -1.25 -2.10 119.66 121.76 1ujt s GLN 54 Ca 0.05 0.96 -0.03 0.00 0.05 0.00 0.00 55.36 56.39 1ujt s GLN 54 Cb -0.01 -2.10 -0.11 0.00 1.10 0.00 0.00 33.01 31.89 1ujt s GLN 54 CO -0.07 -0.45 -0.21 0.25 -0.55 0.00 0.00 175.29 174.26 1ujt n THR 55 N -1.93 1.12 -4.40 -0.34 -2.24 -1.05 -1.36 114.28 104.08 1ujt n THR 55 Ca 0.07 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.21 1ujt n THR 55 Cb 0.54 -1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 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 -6.29 4.16 0.09 3.42 0.01 -1.26 -3.84 113.70 109.99 1ujt s SER 56 Ca -0.27 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.72 1ujt s SER 56 Cb 0.09 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1ujt s SER 56 CO 0.41 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1ujt n GLY 57 N -1.13 0.92 0.16 3.44 0.00 -1.26 -3.95 105.19 103.36 1ujt n GLY 57 Ca -0.04 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 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 2.30 -0.63 0.99 -0.00 -1.26 -4.37 117.00 114.03 1ujt n LEU 58 Ca 0.00 0.15 0.01 0.00 -0.00 0.00 0.00 56.01 56.16 1ujt n LEU 58 Cb 0.00 -0.82 0.03 0.00 -0.00 0.00 0.00 43.42 42.64 1ujt n LEU 58 CO 0.00 0.70 0.31 0.00 -0.00 0.00 0.00 177.39 178.40 1ujt n GLN 59 N -3.82 1.33 -2.25 1.96 6.02 -1.26 -4.84 117.38 114.52 1ujt n GLN 59 Ca -0.49 -0.27 -0.37 0.00 -0.01 0.00 0.00 57.00 55.86 1ujt n GLN 59 Cb 0.91 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ujt s ALA 60 N -1.13 2.94 0.00 -1.58 0.00 -1.25 -3.03 121.76 117.70 1ujt s ALA 60 Ca 0.05 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1ujt s ALA 60 Cb 0.04 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1ujt s ALA 60 CO 0.01 -0.69 0.00 -2.37 0.00 0.00 0.00 175.76 172.72 1ujt n THR 61 N -0.58 0.00 -2.72 0.00 5.66 -0.46 -4.84 114.28 111.33 1ujt n THR 61 Ca 0.08 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.86 1ujt n THR 61 Cb 0.48 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.33 1ujt n THR 61 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1ujt s SER 62 N -1.57 4.93 -0.32 1.09 0.15 -1.17 -4.95 113.70 111.86 1ujt s SER 62 Ca 0.00 -0.32 -0.32 0.00 0.70 0.00 0.00 55.95 56.01 1ujt s SER 62 Cb 0.00 -0.34 -0.14 0.00 -1.71 0.00 0.00 66.02 63.84 1ujt s SER 62 CO 0.00 -1.41 1.07 -1.54 1.20 0.00 0.00 173.24 172.55 1ujt n SER 63 N -2.46 0.77 -4.75 5.45 3.41 -1.26 -4.84 113.62 109.94 1ujt n SER 63 Ca 0.12 0.81 -0.33 0.00 -0.26 0.00 0.00 58.87 59.21 1ujt n SER 63 Cb 0.60 -0.60 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1ujt n SER 63 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1ujt s TRP 64 N 1.92 2.37 0.50 7.33 0.52 -1.26 -4.95 118.94 125.36 1ujt s TRP 64 Ca 0.71 1.59 0.04 0.00 0.02 0.00 0.00 56.10 58.46 1ujt s TRP 64 Cb -1.01 -3.23 -0.01 0.00 -1.15 0.00 0.00 33.47 28.08 1ujt s TRP 64 CO 0.55 -2.04 0.18 -0.65 0.02 0.00 0.00 176.95 175.01 1ujt s GLN 65 N -4.29 2.21 -0.21 4.98 -1.52 0.07 -4.97 119.66 115.93 1ujt s GLN 65 Ca 0.67 -2.14 -0.10 0.00 -1.95 0.00 0.00 55.36 51.85 1ujt s GLN 65 Cb -0.22 -1.83 0.08 0.00 -0.22 0.00 0.00 33.01 30.82 1ujt s GLN 65 CO 0.47 -0.39 0.49 0.54 -0.25 0.00 0.00 175.29 176.15 1ujt s ASN 66 N -4.02 -0.58 -0.46 5.90 2.20 -1.26 -2.24 114.94 114.48 1ujt s ASN 66 Ca 0.24 1.10 -0.10 0.00 -0.94 0.00 0.00 52.86 53.16 1ujt s ASN 66 Cb 0.01 1.17 0.10 0.00 -2.00 0.00 0.00 41.25 40.54 1ujt s ASN 66 CO 0.14 -0.21 0.34 -0.22 -2.94 0.00 0.00 177.10 174.20 1ujt s LEU 67 N 1.90 5.56 -0.62 3.54 2.96 0.10 -4.90 118.68 127.23 1ujt s LEU 67 Ca -0.07 -1.72 -0.26 0.00 -0.22 0.00 0.00 54.13 51.85 1ujt s LEU 67 Cb -0.09 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1ujt s LEU 67 CO -0.15 -0.66 1.93 1.51 -1.32 0.00 0.00 176.35 177.67 1ujt s ASP 68 N 2.58 5.15 0.48 3.68 1.47 -1.26 -2.45 116.67 126.32 1ujt s ASP 68 Ca 0.04 0.33 0.27 0.00 1.18 0.00 0.00 52.55 54.38 1ujt s ASP 68 Cb -0.25 -2.53 1.33 0.00 -0.34 0.00 0.00 42.92 41.13 1ujt s ASP 68 CO 0.01 -2.48 1.83 0.00 0.68 0.00 0.00 175.17 175.21 1ujt h ALA 69 N 15.16 2.65 -3.84 2.11 0.00 -1.91 -3.45 119.26 129.98 1ujt h ALA 69 Ca -0.23 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.31 1ujt h ALA 69 Cb 1.16 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ujt h ALA 69 CO 1.21 -0.97 -0.51 1.63 0.00 0.00 0.00 179.25 180.60 1ujt n LYS 70 N -4.38 -2.89 -3.15 0.00 5.02 -1.26 -4.93 118.16 106.57 1ujt n LYS 70 Ca 0.22 0.85 0.04 0.00 -2.02 0.00 0.00 58.31 57.40 1ujt n LYS 70 Cb 0.97 -5.56 -0.01 0.00 -0.02 0.00 0.00 35.03 30.41 1ujt n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ujt s VAL 71 N -2.98 -0.79 -0.61 -0.18 0.11 -1.26 -5.02 120.40 109.67 1ujt s VAL 71 Ca 0.12 0.00 0.21 0.00 -2.93 0.00 0.00 61.98 59.39 1ujt s VAL 71 Cb -0.06 -0.93 0.21 0.00 -1.53 0.00 0.00 36.38 34.07 1ujt s VAL 71 CO 0.15 0.00 1.64 -0.81 -3.33 0.00 0.00 175.10 172.76 1ujt n PRO 72 N 5.41 0.14 -1.33 1.54 -0.04 -1.26 -2.87 135.00 136.60 1ujt n PRO 72 Ca -0.00 0.38 -0.32 0.00 -0.04 0.00 0.00 63.50 63.53 1ujt n PRO 72 Cb 0.53 -1.78 0.10 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.05 3.49 -3.69 0.52 -2.24 -1.26 -4.88 114.28 104.18 1ujt n THR 73 Ca 0.02 -2.78 -0.15 0.00 -2.27 0.00 0.00 64.05 58.87 1ujt n THR 73 Cb 0.21 -1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 67.28 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 -3.71 0.08 -0.33 -0.78 0.41 -1.14 -5.03 118.70 108.20 1ujt s GLU 74 Ca 0.63 0.54 0.07 0.00 -0.41 0.00 0.00 54.97 55.80 1ujt s GLU 74 Cb 0.50 -0.20 0.51 0.00 -1.78 0.00 0.00 34.13 33.16 1ujt s GLU 74 CO 0.02 -0.26 1.52 0.54 -0.49 0.00 0.00 175.26 176.59 1ujt n ARG 75 N 4.99 2.09 -3.29 1.61 5.12 -1.26 -4.90 116.66 121.02 1ujt n ARG 75 Ca -0.11 -3.28 -0.00 0.00 -1.93 0.00 0.00 57.85 52.52 1ujt n ARG 75 Cb 0.50 -1.93 -0.03 0.00 -1.16 0.00 0.00 32.46 29.84 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ujt s SER 76 N -2.48 -0.93 0.23 0.55 1.04 -1.26 -2.97 113.70 107.88 1ujt s SER 76 Ca 0.48 0.84 0.06 0.00 0.48 0.00 0.00 55.95 57.81 1ujt s SER 76 Cb 0.42 1.91 -0.03 0.00 0.10 0.00 0.00 66.02 68.42 1ujt s SER 76 CO 0.01 -0.26 0.24 0.00 0.98 0.00 0.00 173.24 174.21 1ujt s ALA 77 N 2.78 3.70 -0.22 5.32 0.00 -1.10 -4.95 121.76 127.29 1ujt s ALA 77 Ca 0.14 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1ujt s ALA 77 Cb -0.15 -1.46 0.05 0.00 0.00 0.00 0.00 23.12 21.56 1ujt s ALA 77 CO -0.19 0.29 -0.12 0.08 0.00 0.00 0.00 175.76 175.82 1ujt s VAL 78 N -2.03 1.93 -0.45 0.00 1.01 -1.26 -2.34 120.40 117.26 1ujt s VAL 78 Ca 0.33 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1ujt s VAL 78 Cb -0.09 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1ujt s VAL 78 CO 0.26 0.16 0.39 -0.76 0.00 0.00 0.00 175.10 175.15 1ujt s LEU 79 N 1.26 5.35 0.48 3.92 1.43 -0.77 -4.95 118.68 125.40 1ujt s LEU 79 Ca -0.03 -1.11 0.08 0.00 -1.03 0.00 0.00 54.13 52.04 1ujt s LEU 79 Cb -0.17 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.87 1ujt s LEU 79 CO -0.08 -0.60 0.60 0.68 0.23 0.00 0.00 176.35 177.18 1ujt s VAL 80 N 1.78 2.58 -0.71 -1.59 -7.23 -1.26 -1.85 120.40 112.12 1ujt s VAL 80 Ca 0.06 -1.08 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 1ujt s VAL 80 Cb -0.22 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1ujt s VAL 80 CO 0.09 0.00 0.60 0.59 -0.31 0.00 0.00 175.10 176.06 1ujt n ASN 81 N -1.93 -2.46 -4.78 4.85 3.02 -0.87 -4.96 115.26 108.14 1ujt n ASN 81 Ca 0.09 -0.35 -0.22 0.00 -0.03 0.00 0.00 54.58 54.07 1ujt n ASN 81 Cb 0.61 -3.17 -0.05 0.00 -0.61 0.00 0.00 39.78 36.56 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 -4.54 3.49 0.51 3.41 1.43 -0.67 -5.06 118.68 117.25 1ujt s LEU 82 Ca 0.06 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 1ujt s LEU 82 Cb -0.03 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.09 1ujt s LEU 82 CO 0.42 -0.20 0.95 -0.54 0.23 0.00 0.00 176.35 177.21 1ujt s LYS 83 N -3.86 3.86 -0.23 1.70 -0.14 -1.26 -4.51 119.74 115.29 1ujt s LYS 83 Ca 0.36 0.82 -0.09 0.00 -1.36 0.00 0.00 55.97 55.70 1ujt s LYS 83 Cb -0.06 -2.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.87 1ujt s LYS 83 CO 0.24 -0.27 0.13 0.15 -0.76 0.00 0.00 175.35 174.84 1ujt s LYS 84 N -4.20 3.97 0.00 1.68 3.01 -1.24 -4.45 119.74 118.51 1ujt s LYS 84 Ca 0.57 -0.32 0.00 0.00 -1.01 0.00 0.00 55.97 55.20 1ujt s LYS 84 Cb -0.10 -3.45 0.00 0.00 -1.01 0.00 0.00 37.83 33.27 1ujt s LYS 84 CO 0.35 0.04 0.00 0.41 0.51 0.00 0.00 175.35 176.66 1ujt n GLY 85 N 4.31 0.75 3.50 -3.33 0.00 0.24 -4.86 105.19 105.80 1ujt n GLY 85 Ca -0.15 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.66 0.00 0.58 1.61 0.11 -1.19 -4.95 120.40 113.90 1ujt s VAL 86 Ca 0.00 -0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 1ujt s VAL 86 Cb 0.00 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1ujt s VAL 86 CO 0.00 -0.00 1.05 -0.89 -3.33 0.00 0.00 175.10 171.93 1ujt s THR 87 N 0.30 3.82 -0.05 5.04 2.01 -1.26 -2.78 115.64 122.74 1ujt s THR 87 Ca -0.00 0.88 -0.02 0.00 0.31 0.00 0.00 61.69 62.86 1ujt s THR 87 Cb -0.04 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 69.11 1ujt s THR 87 CO 0.01 -0.49 0.09 -0.31 -0.69 0.00 0.00 174.62 173.22 1ujt s TYR 88 N -2.43 -0.05 -0.36 4.92 1.51 -0.17 -2.54 117.35 118.23 1ujt s TYR 88 Ca 0.64 0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 56.82 1ujt s TYR 88 Cb -0.16 -0.25 0.00 0.00 -0.11 0.00 0.00 41.96 41.45 1ujt s TYR 88 CO 0.36 -0.16 0.67 -2.00 -1.11 0.00 0.00 175.55 173.31 1ujt s GLU 89 N 1.52 3.68 0.03 -0.62 2.12 -0.89 -0.40 118.70 124.14 1ujt s GLU 89 Ca -0.04 0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.44 1ujt s GLU 89 Cb -0.12 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 1ujt s GLU 89 CO -0.04 -0.77 -0.18 0.42 -0.54 0.00 0.00 175.26 174.15 1ujt s ILE 90 N 2.80 1.41 -0.04 -3.70 1.09 -0.28 -2.61 121.20 119.87 1ujt s ILE 90 Ca 0.26 -1.05 -0.04 0.00 -1.10 0.00 0.00 60.65 58.72 1ujt s ILE 90 Cb -0.14 -1.24 0.01 0.00 -1.06 0.00 0.00 42.46 40.03 1ujt s ILE 90 CO 0.15 0.16 0.11 -1.59 -0.10 0.00 0.00 174.94 173.68 1ujt s LYS 91 N -1.03 0.17 0.08 2.79 0.00 -0.90 -0.81 119.74 120.03 1ujt s LYS 91 Ca 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 55.97 56.06 1ujt s LYS 91 Cb -0.08 0.08 -0.05 0.00 0.00 0.00 0.00 37.83 37.78 1ujt s LYS 91 CO 0.01 -0.02 0.33 0.08 0.00 0.00 0.00 175.35 175.75 1ujt s VAL 92 N -0.10 5.22 -0.29 1.79 1.01 -1.26 -2.86 120.40 123.91 1ujt s VAL 92 Ca -0.02 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1ujt s VAL 92 Cb -0.02 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.87 1ujt s VAL 92 CO 0.00 0.20 0.82 0.00 0.00 0.00 0.00 175.10 176.12 1ujt s ARG 93 N -2.20 0.54 0.85 2.72 1.70 -1.14 0.01 118.95 121.44 1ujt s ARG 93 Ca 0.34 1.01 -0.11 0.00 -0.47 0.00 0.00 55.73 56.50 1ujt s ARG 93 Cb -0.13 0.24 0.10 0.00 -0.57 0.00 0.00 34.95 34.59 1ujt s ARG 93 CO 0.21 -0.13 1.09 -1.25 -1.08 0.00 0.00 175.30 174.14 1ujt s PRO 94 N 1.77 1.62 -0.04 3.89 0.04 -1.26 -1.92 135.00 139.09 1ujt s PRO 94 Ca -0.08 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 61.60 1ujt s PRO 94 Cb -0.05 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.72 1ujt s PRO 94 CO -0.18 -2.03 0.69 1.52 0.04 0.00 0.00 177.00 177.04 1ujt s TYR 95 N -2.92 -0.64 -0.15 0.56 -0.85 -1.22 0.46 117.35 112.59 1ujt s TYR 95 Ca 0.63 1.06 -0.12 0.00 -0.52 0.00 0.00 57.07 58.12 1ujt s TYR 95 Cb -0.18 0.42 -0.06 0.00 0.38 0.00 0.00 41.96 42.52 1ujt s TYR 95 CO 0.57 -0.61 -0.26 0.34 -1.52 0.00 0.00 175.55 174.07 1ujt n PHE 96 N 0.83 0.00 0.07 -3.49 7.35 -1.24 -1.79 117.46 119.18 1ujt n PHE 96 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 1ujt n PHE 96 Cb 0.58 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 39.89 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 -4.07 0.16 0.00 -2.13 4.13 -1.26 -4.16 115.26 107.93 1ujt n ASN 97 Ca -0.23 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1ujt n ASN 97 Cb 0.55 0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1ujt n ASN 97 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1ujt n GLU 98 N -3.08 0.00 -1.20 3.52 0.28 -1.26 -5.07 120.64 113.83 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 -0.83 0.13 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 -1.89 2.33 -0.04 -1.84 -0.71 -1.26 -5.07 117.98 109.51 1ujt s PHE 99 Ca 0.00 1.30 -0.01 0.00 -1.04 0.00 0.00 56.93 57.18 1ujt s PHE 99 Cb 0.00 -3.15 0.03 0.00 -1.21 0.00 0.00 43.02 38.69 1ujt s PHE 99 CO 0.00 -2.34 0.02 1.14 -1.34 0.00 0.00 175.22 172.70 1ujt s GLN 100 N -4.92 0.17 1.19 1.99 -2.07 -1.26 -3.65 119.66 111.11 1ujt s GLN 100 Ca 0.63 0.20 -0.18 0.00 -1.82 0.00 0.00 55.36 54.19 1ujt s GLN 100 Cb -0.18 -0.53 0.24 0.00 -1.09 0.00 0.00 33.01 31.45 1ujt s GLN 100 CO 0.57 -0.23 0.51 0.41 -1.32 0.00 0.00 175.29 175.23 1ujt n GLY 101 N 4.67 -2.91 3.60 2.60 0.00 0.17 -4.75 105.19 108.57 1ujt n GLY 101 Ca -0.16 -1.12 -0.56 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.34 0.73 -2.56 1.61 0.00 -1.26 -4.53 117.12 107.75 1ujt n MET 102 Ca 0.07 0.26 -0.43 0.00 0.00 0.00 0.00 57.70 57.61 1ujt n MET 102 Cb 0.48 -1.86 -0.02 0.00 0.00 0.00 0.00 33.22 31.82 1ujt n MET 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1ujt s ASP 103 N 1.01 6.83 0.57 7.83 1.47 -1.26 -4.59 116.67 128.53 1ujt s ASP 103 Ca 0.90 1.06 -0.19 0.00 1.18 0.00 0.00 52.55 55.50 1ujt s ASP 103 Cb -1.11 -2.54 -0.06 0.00 -0.34 0.00 0.00 42.92 38.87 1ujt s ASP 103 CO 0.55 -0.97 0.94 -1.20 0.68 0.00 0.00 175.17 175.17 1ujt n SER 104 N 7.18 0.72 -4.49 2.11 7.64 0.10 -4.82 113.62 122.07 1ujt n SER 104 Ca 0.13 0.84 -0.50 0.00 1.01 0.00 0.00 58.87 60.35 1ujt n SER 104 Cb 0.47 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.26 1ujt n SER 104 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ujt n GLU 105 N -0.76 0.45 -2.15 1.43 -0.58 -1.26 -4.37 120.64 113.40 1ujt n GLU 105 Ca 0.13 0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.60 1ujt n GLU 105 Cb 0.46 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.89 1ujt n GLU 105 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ujt s SER 106 N -0.53 6.78 -0.16 1.62 1.04 -1.26 -4.73 113.70 116.47 1ujt s SER 106 Ca 0.70 2.19 -0.02 0.00 0.48 0.00 0.00 55.95 59.31 1ujt s SER 106 Cb -0.95 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 62.60 1ujt s SER 106 CO 0.56 -0.77 -0.08 -0.54 0.98 0.00 0.00 173.24 173.39 1ujt s LYS 107 N 2.60 3.48 -0.08 4.02 -0.14 0.01 -4.92 119.74 124.70 1ujt s LYS 107 Ca 0.66 -0.61 -0.18 0.00 -1.36 0.00 0.00 55.97 54.48 1ujt s LYS 107 Cb -0.33 -2.81 -0.05 0.00 -1.68 0.00 0.00 37.83 32.96 1ujt s LYS 107 CO 0.28 0.13 0.48 0.95 -0.76 0.00 0.00 175.35 176.43 1ujt s THR 108 N 0.61 5.12 -0.21 2.17 -4.23 -1.26 -1.13 115.64 116.71 1ujt s THR 108 Ca -0.05 0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 61.43 1ujt s THR 108 Cb -0.15 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.89 1ujt s THR 108 CO 0.03 0.38 -0.12 0.54 -0.54 0.00 0.00 174.62 174.90 1ujt s VAL 109 N 0.26 2.61 -0.47 2.29 0.11 0.47 -4.87 120.40 120.79 1ujt s VAL 109 Ca 0.26 -0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 58.23 1ujt s VAL 109 Cb -0.16 -2.20 0.03 0.00 -1.53 0.00 0.00 36.38 32.53 1ujt s VAL 109 CO 0.12 0.40 0.73 -0.60 -3.33 0.00 0.00 175.10 172.42 1ujt s ARG 110 N 1.34 3.29 -0.57 1.54 3.52 -1.26 -1.00 118.95 125.82 1ujt s ARG 110 Ca 0.03 -0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 54.98 1ujt s ARG 110 Cb -0.14 -3.99 0.03 0.00 -1.56 0.00 0.00 34.95 29.28 1ujt s ARG 110 CO -0.08 -1.16 1.17 0.95 -0.81 0.00 0.00 175.30 175.37 1ujt s THR 111 N 3.12 4.06 1.02 4.11 -4.23 -1.12 -4.95 115.64 117.65 1ujt s THR 111 Ca 0.25 0.91 -0.20 0.00 -1.18 0.00 0.00 61.69 61.46 1ujt s THR 111 Cb -0.14 -4.71 -0.08 0.00 1.34 0.00 0.00 72.50 68.91 1ujt s THR 111 CO 0.19 -1.30 -0.69 1.07 -0.54 0.00 0.00 174.62 173.35 1ujt n THR 112 N 6.67 0.00 -4.33 3.99 5.66 -1.26 0.79 114.28 125.79 1ujt n THR 112 Ca 0.09 -0.23 -0.20 0.00 -3.05 0.00 0.00 64.05 60.65 1ujt n THR 112 Cb 0.49 -0.24 -0.13 0.00 -1.55 0.00 0.00 70.33 68.90 1ujt n THR 112 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ujt s GLU 113 N -2.60 0.92 -1.35 1.09 -1.05 -1.26 -2.50 118.70 111.95 1ujt s GLU 113 Ca 0.45 -0.78 -0.06 0.00 -0.15 0.00 0.00 54.97 54.42 1ujt s GLU 113 Cb -0.07 -0.93 0.02 0.00 -0.44 0.00 0.00 34.13 32.71 1ujt s GLU 113 CO 0.71 0.23 1.00 0.39 0.95 0.00 0.00 175.26 178.54 1ujt n GLU 114 N 1.82 -6.51 -1.94 -4.83 -0.58 -1.26 -4.90 120.64 102.44 1ujt n GLU 114 Ca -0.18 0.74 -0.42 0.00 -0.42 0.00 0.00 57.16 56.88 1ujt n GLU 114 Cb 0.55 -5.65 -0.02 0.00 -0.57 0.00 0.00 31.44 25.74 1ujt n GLU 114 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ujt s SER 115 N -3.76 6.58 0.28 1.62 0.15 -1.26 -4.96 113.70 112.35 1ujt s SER 115 Ca 0.36 2.71 -0.29 0.00 0.70 0.00 0.00 55.95 59.42 1ujt s SER 115 Cb -0.17 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.43 1ujt s SER 115 CO 0.77 -0.78 1.23 -0.83 1.20 0.00 0.00 173.24 174.83 1ujt s GLY 116 N 0.63 2.90 -0.64 9.45 0.00 -1.26 -4.93 107.32 113.47 1ujt s GLY 116 Ca 0.63 1.10 -0.26 0.00 0.00 0.00 0.00 44.72 46.19 1ujt s GLY 116 CO 0.40 1.81 1.87 2.56 0.00 0.00 0.00 173.10 179.74 1ujt s PRO 117 N -1.29 2.62 -0.60 2.90 0.04 -1.26 -4.93 135.00 132.47 1ujt s PRO 117 Ca 0.49 0.51 -0.07 0.00 0.04 0.00 0.00 61.00 61.97 1ujt s PRO 117 Cb -0.36 -4.46 0.16 0.00 0.04 0.00 0.00 34.50 29.87 1ujt s PRO 117 CO 0.46 -2.81 0.45 0.45 0.04 0.00 0.00 177.00 175.59 1ujt s SER 118 N 8.09 5.65 -1.02 6.66 0.15 -1.26 -5.01 113.70 126.96 1ujt s SER 118 Ca 0.67 -2.49 -0.25 0.00 0.70 0.00 0.00 55.95 54.59 1ujt s SER 118 Cb -0.12 -1.96 -0.11 0.00 -1.71 0.00 0.00 66.02 62.12 1ujt s SER 118 CO 0.18 -0.51 2.05 -0.55 1.20 0.00 0.00 173.24 175.61 1ujt s SER 119 N 1.61 4.56 0.00 5.45 0.15 -1.26 -5.32 113.70 118.89 1ujt s SER 119 Ca 0.13 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1ujt s SER 119 Cb -0.20 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1ujt s SER 119 CO -0.04 -3.45 0.00 0.61 1.20 0.00 0.00 173.24 171.56